13756 SMILES Strings for Tyrosine-protein kinase BTK

Compound Name
SMILES String
Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C
Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=N3)Nc4ccc(cc4)C(=O)N5CCOCC5)C
Cc1c(N)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
CC(=O)Nc1cccc(c1C)-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NCc2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2cccc(c2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2ccc(nc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C=C
C\C=C\C(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)S(=O)(=O)C=C
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)CCl
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C#C
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(CC1)C(=O)C=C
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:23
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C |r|
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
C=CC(=O)NC5CCC(n4nc(c2ccc(Oc1ccccc1)cc2)c3c(N)ncnc34)CC5
C=CC(=O)N5CC[C@@H](n4nc(c2ccc(Oc1ccccc1)cc2)c3c(N)ncnc34)C5
C=CC(=O)N5CC[C@H](n4nc(c2ccc(Oc1ccccc1)cc2)c3c(N)ncnc34)C5
Cn1cc(Nc2nc(cn(C)c2=O)-c2cccc(N3CCc4cc(ccc4C3=O)C3CC3)c2CO)cn1
CN(C)C(=O)c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(N3CCc4cc(ccc4C3=O)C3CC3)c2CO)cc1
Cn1cc(nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c1=O)-c1cccc(N2CCc3cc(ccc3C2=O)C2(F)CC2)c1CO
Cn1cc(nc(Nc2ccc(cc2)C(=O)N2CCC(O)CC2)c1=O)-c1cccc(N2CCc3cc(ccc3C2=O)C2CC2)c1CO
Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1
Cc1c(cccc1N2C=Nc3cc(ccc3C2=O)C(C)(C)C)C4=CN(C(=O)C(=C4)NC(=O)NC)C
CN(C)c1ccc2C(=O)N(CNc2c1)c1cccc(c1C)-c1cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c(=O)n(C)c1
Cc1c(cccc1-c1cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c(=O)n(C)c1)N1CNc2cc(ccc2C1=O)C(C)(C)O
CN(C)c1ccc2c(cnn(-c3cccc(-c4cc(Nc5ccc(cn5)C(=O)N5CCOCC5)c(=O)n(C)c4)c3C)c2=O)c1
CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3cccc(N4CCn5c6CCCCc6cc5C4=O)c3C)cc2C1
CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3cccc(N4CCn5c(cc6ccccc56)C4=O)c3C)cc2C1
CN1CCn2nc(Nc3cc(nn(C)c3=O)-c3cccc(N4Cc5c(sc6ccccc56)C4=O)c3C)cc2C1
Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3c4CCCCc4sc3C2=O)c1CO
CC1(Cc2c3c(sc2C1)C(=O)N(CC3)c4cccc(c4CO)C5=CN(C(=O)C(=C5)Nc6ccncn6)C)C
Cn1cc(cc(Nc2cc(n[nH]2)C2CC2)c1=O)-c1cccc(N2CCn3c4CCCCc4cc3C2=O)c1CO
Cn1cc(cc(Nc2ccc(cn2)N2CCOCC2)c1=O)-c1cccc(N2CCn3c4CCCCc4cc3C2=O)c1CO
CC(=O)N1CCn2nc(Nc3cc(cn(C)c3=O)-c3cccc(N4CCn5c6CCCCc6cc5C4=O)c3CO)cc2C1
Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCn3c4CCCCc4cc3C2=O)c1CO
Cn1cc(cc(Nc2cc3COCCn3n2)c1=O)-c1cccc(N2CCn3c4CCCCc4cc3C2=O)c1CO
CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(N3CCn4c5CCCCc5cc4C3=O)c2CO)nc1
Cn1cc(nc(Nc2cnn(CCO)c2)c1=O)-c1cccc(N2CCc3c4CCCCc4sc3C2=O)c1CO
Cn1nc(Nc2cc(nn(C)c2=O)-c2cccc(N3CCc4c5CCCCc5sc4C3=O)c2CO)cc1C(C)(C)O
Cn1cc(cc(Nc2cc(n[nH]2)C2CC2)c1=O)-c1cccc(N2CCc3c4CCCCc4sc3C2=O)c1CO
CCn1cc(Nc2nc(cn(C)c2=O)-c2cccc(N3CCc4c5CC(C)(C)Cc5sc4C3=O)c2CO)cn1
Cn1cc(cc(Nc2cc3COCCn3n2)c1=O)-c1cc(F)cc(N2CCn3c4CCCCc4cc3C2=O)c1CO
CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CCCCc5cc4C3=O)c2CO)nc1
Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1cc(F)cc(N2CCn3c4CCCCc4cc3C2=O)c1CO
CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCc4c5CCCCc5sc4C3=O)c2CO)nc1
Cn1cc(cc(Nc2ccc(cn2)C2CCN(CC2)C2COC2)c1=O)-c1cc(F)cc(N2CCn3c4CCCCc4cc3C2=O)c1CO
CN1CCC(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCc4c5CCCCc5sc4C3=O)c2CO)nc1
CN(C)CCOc1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCc4c5CCCCc5sc4C3=O)c2CO)nc1
CCN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCc4c5CCCCc5sc4C3=O)c2CO)nc1
CN(C)CCN(C)c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCc4c5CC(C)(C)Cc5sc4C3=O)c2CO)nc1
CN1CC(C1)c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1
CCN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCc4c5CC(C)(C)Cc5sc4C3=O)c2CO)nc1
Cn1cc(cc(Nc2ccc(cn2)N2CCN(CCF)CC2)c1=O)-c1cc(F)cc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Cn1cc(cc(Nc2ccc(CN3CCOCC3)cn2)c1=O)-c1cc(F)cc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(N3CCc4c(cc5CCCCn45)C3=O)c2CO)nc1
Cc1cc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)[nH]n1
CC(C)N(C)Cc1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCc4c5CCCCc5sc4C3=O)c2CO)nc1
CN1CCC(CC1)c1ccc(Nc2nc(cn(C)c2=O)-c2cc(F)cc(N3CCc4c5CC(C)(C)Cc5sc4C3=O)c2CO)cc1
CN1CCn2nc(Nc3cc(cn(C)c3=O)-c3cc(F)cc(N4CCc5c6CC(C)(C)Cc6sc5C4=O)c3CO)cc2C1
Cn1cc(cc(Nc2ccc3CN(CCc3n2)C2COC2)c1=O)-c1cc(F)cc(N2CCc3c4CC(C)(C)Cc4sc3C2=O)c1CO
CN1CCC(CC1)c1ccc(Nc2nc(cn(C)c2=O)-c2cc(F)cc(N3CCc4c5CCCCc5sc4C3=O)c2CO)cc1
CN1CCC(CC1)c1ccc(Nc2nc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CCCCc5cc4C3=O)c2CO)cc1
CN1CCc2cc(Nc3nc(cn(C)c3=O)-c3cc(F)cc(N4CCn5c6CCCCc6cc5C4=O)c3CO)ccc2C1
CCN1CCc2nc(Nc3cc(cn(C)c3=O)-c3cc(F)cc(N4CCn5c6CC(C)(C)Cc6cc5C4=O)c3CO)ccc2C1
CCN1CCn2nc(Nc3cc(cn(C)c3=O)-c3cc(F)cc(N4CCn5c6CC(C)(C)Cc6cc5C4=O)c3CO)cc2C1
CN(C)CCN(C)c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCc4c5CCCCc5sc4C3=O)c2CO)nc1
CN1CCCC1c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCc4c5CC(C)(C)Cc5sc4C3=O)c2CO)nc1
CN1CCCC1c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCc4c5CCCCc5sc4C3=O)c2CO)nc1
Cn1cc(cc(Nc2ccc(cn2)N2CCOCC2)c1=O)-c1cc(F)cc(N2CCc3c4CCCCc4sc3C2=O)c1CO
CN1CCC[C@@H]1c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1 |r|
Cn1cc(cc(Nc2ccc3CN(CCc3n2)C2COC2)c1=O)-c1cc(F)cc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
CN1CC(C1)Oc1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CCCCc5cc4C3=O)c2CO)nc1
CN1CCC(CC1)c1ccc(Nc2nc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)cc1
CN1CCC(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCc4c5CC(C)(C)Cc5sc4C3=O)c2CO)nc1
CN(C)CCOc1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCc4c5CC(C)(C)Cc5sc4C3=O)c2CO)nc1
CN(C)CCOc1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CCCCc5cc4C3=O)c2CO)nc1
CN1CC(C1)c1ccc(Nc2nc(cn(C)c2=O)-c2cc(F)cc(N3CCc4c5CC(C)(C)Cc5sc4C3=O)c2CO)cc1
Cn1cc(cc(Nc2ccc(cn2)C2CCN(CC2)C2COC2)c1=O)-c1cc(F)cc(N2CCc3c4CC(C)(C)Cc4sc3C2=O)c1CO
COc1nccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)n1
Cn1cc(cc(Nc2ccc(cn2)N2CCNCC2)c1=O)-c1cccc(N2CCn3c4CCCCc4cc3C2=O)c1CO
CCn1nc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)cc1C
Cn1cc(cc(Nc2ccc(cn2)C2CCN(CC2)C2COC2)c1=O)-c1cc(F)cc(N2CCc3c4CCCCc4sc3C2=O)c1CO
Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1cc(F)cc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Cn1cc(nc(Nc2ccc(cc2)C2CCN(CC2)C2COC2)c1=O)-c1cccc(N2CCc3c4CCCCc4sc3C2=O)c1CO
CN1CCN(CC1)c1ccc(Nc2cc(nn(C)c2=O)-c2cccc(N3CCn4c5CCCCc5cc4C3=O)c2CO)nc1
CN1CCC(C1)c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCc4c5CCCCc5sc4C3=O)c2CO)nc1
Cn1cc(cc(Nc2cc3COCCn3n2)c1=O)-c1cccc(N2CCc3c(cc4CCCCn34)C2=O)c1CO
CCN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(N3CCc4c(cc5CCCCn45)C3=O)c2CO)nc1
Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1cccc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1cccc(N2CCc3c4CC(C)(C)Cc4sc3C2=O)c1CO
C=CC(=O)Nc1cccc(c1)-c1nc(Nc2ccc(cc2)N2CCOCC2)nc2n[nH]cc12
CN1CCN(CC1)c1ccc(Nc2nc(-c3cccc(NC(=O)C=C)c3)c3c[nH]nc3n2)cc1
Fc1cc(Nc2nc(-c3cccc(NC(=O)C=C)c3)c3c[nH]nc3n2)ccc1N1CCOCC1
Clc1nc(-c2cccc(NC(=O)C=C)c2)c2c[nH]nc2n1
Clc1ncc(Nc2ccccc2)c(n1)-c1cccc(NC(=O)C=C)c1
C=CC(=O)Nc1cccc(c1)-c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1Nc1ccccc1
Fc1cc(Nc2ncc(Cl)c(n2)-c2cccc(NC(=O)C=C)c2)ccc1N1CCOCC1
Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cccc(NC(=O)C=C)c1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cccc(NC(=O)C=C)c2)cc1
Clc1ncc(Br)c(n1)-c1cccc(NC(=O)C=C)c1
Clc1ncc(Cl)c(n1)-c1cccc(NC(=O)C=C)c1
Fc1cccc(Nc2cnc(Cl)nc2-c2cccc(NC(=O)C=C)c2)c1
Cn1cc(nc1C(N)=O)-c1cccc(c1CO)-n1ncc2cc(ccc2c1=O)C(C)(C)C
CC(C)(C)c1ccc2c(cnn(-c3cccc(-c4nc(cs4)C(N)=O)c3CO)c2=O)c1
CC(C)(C)c1ccc2c(cnn(-c3cccc(-c4c[nH]c(c4)C(N)=O)c3CO)c2=O)c1
Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1ncc2cc(ccc2c1=O)C(C)(C)C
Cc1nc(oc1C(N)=O)-c1cccc(c1CO)-n1ncc2cc(ccc2c1=O)C(C)(C)C
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4nc(cs4)C(N)=O)c3CO)c2=O)c1
Cn1cc(nc1C(N)=O)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4ccc(o4)C(N)=O)c3CO)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4coc(c4)C(N)=O)c3CO)c2=O)c1
Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1ncc2cc(cc(CO)c2c1=O)C(C)(C)C
Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
CN1Cc2cc(ccc2C(=O)N1c1cccc(-c2cc(C(N)=O)n(C)c2)c1CO)C(C)(C)C
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4cccnc34)c2=O)c1
Cn1cc(cc1C(N)=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccccc34)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cc4)C(C)(C)O)n3)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(Cl)cn4)n3)c2=O)c1
CC(C)(CN1CCC1)Oc1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nc1
CN1CCn2nc(Nc3nn(cc3C(N)=O)-c3cccc(c3CO)-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)cc2C1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccccn4)n3)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cc4)S(C)(=O)=O)n3)c2=O)c1
Cn1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)n1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4cnccn4)n3)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(F)cn4)n3)c2=O)c1
Cc1cc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nn1C
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cn4)C(F)(F)F)n3)c2=O)c1
Cc1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nc1
Cc1cc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C(C)(C)C)nn1C
CC(C)(C)c1ccc2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(F)cn4)n3)c2=O)c1
CC(C)(C)c1ccc2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4cnccn4)n3)c2=O)c1
Cc1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C(C)(C)C)nc1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cn4)S(C)(=O)=O)n3)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cn4)C#N)n3)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3ccc(n3)C(N)=O)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(cn3)C(N)=O)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4cncnc34)c2=O)c1
CN1CCN(CC1)c1ccc2c(cn(-c3cccc(c3CO)-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)c2n1)C(N)=O
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccc(nc34)N3CCOCC3)c2=O)c1
CCOc1ccc(cn1)-c1ccc2c(cn(-c3cccc(c3CO)-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)c2n1)C(N)=O
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccc(nc34)-c3ccccc3F)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccc(nc34)-c3ccccc3Cl)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccc(Br)nc34)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccc(nc34)C(O)CO)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccc(nc34)N3CCS(=O)(=O)CC3)c2=O)c1
CN(C)CCNc1ccc2c(cn(-c3cccc(c3CO)-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)c2n1)C(N)=O
CC(=O)c1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C(C)(C)C)cc1
CC(C)(C)c1ccc2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccccn4)n3)c2=O)c1
CN(C)Cc1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C(C)(C)C)nc1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3)-n3cc(cn3)C(N)=O)c2=O)c1
Cc1cccc(Oc2ccc(cc2)-c2cc(nc(N)c2C(N)=N)C2CCCC2)c1
CC(C)(C)OC(=O)NC1CCN(C1)c1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c2n1
COc1ccc(Oc2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c3n2)cc1
Cc1csc(NC(=O)NC2CCN(C2)c2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c3n2)n1
CC(C)Oc1ccc(cc1)-c1cncc2[nH]nc(N)c12
Nc1n[nH]c2cncc(-c3ccc(OC4CCCC4)cc3)c12
Nc1n[nH]c2cncc(-c3ccc(cc3)C(=O)N3CCCC3)c12
Nc1n[nH]c2c(ncc(-c3ccc(Oc4ccccc4)cc3)c12)-c1ccc(NC(=O)c2ccccc2)cc1
CS(=O)(=O)Nc1cccc(c1)-c1ncc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c12
Nc1n[nH]c2c(ncc(-c3ccc(Oc4ccccc4)cc3)c12)-c1ccc(Cl)c(Cl)c1
Nc1n[nH]c2c(ncc(-c3ccc(Oc4ccccc4)cc3)c12)-c1ccc(O)cc1
Nc1n[nH]c2c(ncc(-c3ccc(Oc4ccccc4)cc3)c12)-c1ccc2[nH]ccc2c1
CS(=O)(=O)Nc1ccc(cc1)-c1ncc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c12
CC(C)COc1cccc(c1)-c1ncc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c12
Cc1ccccc1-c1ncc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c12
Nc1n[nH]c2c(ncc(-c3ccc(Oc4ccccc4)cc3)c12)-c1cccc(c1)C(F)(F)F
Nc1n[nH]c2c(ncc(-c3ccc(Oc4ccccc4)cc3)c12)-c1cccc(OC(F)(F)F)c1
Nc1n[nH]c2nc(nc(-c3ccc(Oc4ccccc4)cc3)c12)-c1cccs1
COc1cccc(c1)-c1cnc(Nc2ccccc2)c2[nH]nc(N)c12
COc1cccc(c1)-c1cnc(Nc2ccccc2Cl)c(Cl)c1C#N
COc1ccc(cc1)-c1cnc(Nc2ccccc2C)c2[nH]nc(N)c12
CC(C)Oc1cccc(c1)-c1cnc(Nc2ccccc2C)c2[nH]nc(N)c12
Nc1n[nH]c2cc(nc(-c3ccc(Oc4ccccc4)cc3)c12)-c1ccc2ccccc2c1
Nc1n[nH]c2cc(nc(-c3ccc(Oc4ccccc4)cc3)c12)-c1ccc(cc1)C(O)=O
CNC(=O)c1ccc(cc1)-c1cc2[nH]nc(N)c2c(n1)-c1ccc(Oc2ccccc2)cc1
Nc1n[nH]c2cc(nc(-c3ccc(Oc4ccccc4)cc3)c12)-c1ccc(cc1)C(=O)Nc1nnn[nH]1
Nc1n[nH]c2cc(nc(-c3ccc(Oc4ccccc4)cc3)c12)-c1ccc(cc1)C(=O)NCC(O)=O
Nc1n[nH]c2cc(nc(-c3ccc(Oc4ccccc4)cc3)c12)-c1ccc(cc1)-c1nnn[nH]1
Nc1n[nH]c2c(cnc(-c3ccc(Oc4ccccc4)cc3)c12)-c1ccccn1
Nc1n[nH]c2cc(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)Nc1ccccc1
Nc1n[nH]c2cc(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C=C
COC(=O)C(=O)N1CCCC(C1)c1cc2[nH]nc(N)c2c(n1)-c1ccc(Oc2ccccc2)cc1
Nc1n[nH]c2cc(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(CC1)C(=O)Nc1ccccc1
Nc1n[nH]c2cc(nc(-c3ccc(Oc4ccccc4)cc3)c12)-c1ccc(C(O)=O)c(F)c1
CN(C)C(=O)Cn1ccc(Nc2cc3[nH]nc(N)c3c(n2)-c2ccc(Oc3ccccc3)cc2)n1
COc1ccc2cc(ccc2c1)-c1nc(cc2[nH]nc(N)c12)-c1ccc(cc1)C(O)=O
CC(C)Oc1ccc(cc1)-c1nc(cc2[nH]nc(N)c12)-c1ccc(cc1)C(O)=O
Nc1n[nH]c2cc(nc(-c3ccc(Oc4cccc(F)c4)cc3)c12)-c1ccc(cc1)C(O)=O
CC1(COC1)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:5.5|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCC1 |r,w:3.2|
CC(C)(CO)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:5.4|
CN1CCN(CC1)C(C)(C)C=C([N+]#[C-])C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:10.10|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCCC1 |r,w:3.2|
CC(C)(C=C([N+]#[C-])C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCNCC1 |r,w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CC(O)C1 |r,w:3.2|
CN1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:10.10|
CCN1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |w:11.11|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCNCC1 |r,w:3.2|
CN(C1COC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:9.9|
CC(C)(NC1COC1)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:8.8|
CC(C)C=C(C#N)C(=O)N1CCC1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |w:3.2|
CN(C1COC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:9.9|
CCN(C1COC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:10.10|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N(C1CC1)C1COC1 |r,w:3.2|
CC(C)C=C(C#N)C(=O)N1CC(Cn2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc23)C1 |w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCOCC1 |w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCC(O)CC1 |r,w:3.2|
CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CC2(COC2)C1 |r|
CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CC2(COC2)C1 |r,w:1.2|
CCN1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:11.11|
CC(C)N1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:12.12|
CC(C)(C)N1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:13.13|
COCCN1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:13.13|
CN1CCN(CC1=O)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:11.11|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCN(CC1)S(C)(=O)=O |r,w:3.2|
CC(C)(CN1CCOCC1)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:10.10|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCN(CC1)C1COC1 |r,w:3.2|
CC(=O)N1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:12.12|
COC(=O)N1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:13.13|
CCN1CCN(CC1=O)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:12.12|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCNC(=O)C1 |r,w:3.2|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC2(C1)CN(C2)C(=O)C=C
CN(C)C\C=C\C(=O)N1CC2(CC(C2)n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc23)C1
CC#CC(=O)N1CC2(CC(C2)n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc23)C1
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC2(C1)CN(C2)C(=O)C1CO1
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC2(C1)CCN(C2)C(=O)C=C |(3.23,-2.27,;1.69,-2.27,;.92,-3.61,;-.62,-3.61,;-1.39,-2.27,;-.62,-.94,;-1.1,.53,;.15,1.43,;1.39,.53,;2.72,1.3,;2.72,2.84,;4.06,3.61,;5.39,2.84,;6.73,3.61,;8.06,2.84,;9.39,3.61,;10.73,2.84,;10.73,1.3,;9.39,.53,;8.06,1.3,;5.39,1.3,;4.06,.53,;.92,-.94,;-2.59,.92,;-3.36,2.26,;-4.69,1.49,;-3.92,.15,;-5.6,2.73,;-7.06,2.26,;-7.06,.72,;-5.6,.24,;-8.15,-.37,;-7.75,-1.86,;-9.64,.03,;-10.73,-1.06,)|
Cn1c(Cc2ccccc2)ncc(-c2ccc(-c3nn(C4CC5(C4)CN(C5)C(=O)C=C)c4ncnc(N)c34)c(F)c2)c1=O
CC#CC(=O)N1CC2(CC(C2)n2nc(-c3ccc(Oc4ccccc4)nc3)c3c(N)ncnc23)C1
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)nc3)c12)C1CC2(C1)CN(C2)C(=O)C=C
C\C=C\C(=O)N1CC2(CC(C2)n2nc(-c3ccc(Oc4ccccc4)nc3)c3c(N)ncnc23)C1
C\C=C\C(=O)N1CC2(CC(C2)n2nc(-c3ccc(Oc4ccccc4)cn3)c3c(N)ncnc23)C1
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cn3)c12)C1CC2(C1)CN(C2)C(=O)C=C
CC#CC(=O)N1CC2(CC(C2)n2nc(-c3ccc(Oc4ccccc4)cn3)c3c(N)ncnc23)C1
CC#CC(=O)N1CC[C@]2(C[C@@H](C2)n2nc(-c3ccc(Oc4ccccc4)cn3)c3c(N)ncnc23)C1 |r,wU:10.12,wD:8.8,(-10.43,-5.25,;-8.89,-5.25,;-7.35,-5.25,;-5.81,-5.25,;-5.04,-6.58,;-5.04,-3.92,;-5.52,-2.45,;-4.27,-1.55,;-3.03,-2.45,;-1.69,-3.22,;-.92,-1.89,;-2.26,-1.12,;.57,-1.49,;1.19,-.08,;2.73,-.08,;3.5,1.25,;2.73,2.58,;3.5,3.92,;5.04,3.92,;5.81,5.25,;7.35,5.25,;8.12,3.92,;9.66,3.92,;10.43,5.25,;9.66,6.58,;8.12,6.58,;5.81,2.58,;5.04,1.25,;3.04,-1.75,;4.38,-2.52,;5.71,-1.75,;4.38,-4.06,;3.04,-4.83,;1.71,-4.06,;1.71,-2.52,;-3.5,-3.92,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3ccc(Oc4ccccc4)cn3)c3c(N)ncnc23)C1 |r,wU:8.8,10.12,(-10.43,-5.25,;-8.89,-5.25,;-7.35,-5.25,;-5.81,-5.25,;-5.04,-6.58,;-5.04,-3.92,;-5.52,-2.45,;-4.27,-1.55,;-3.03,-2.45,;-1.69,-3.22,;-.92,-1.89,;-2.26,-1.12,;.57,-1.49,;1.19,-.08,;2.73,-.08,;3.5,1.25,;2.73,2.58,;3.5,3.92,;5.04,3.92,;5.81,5.25,;7.35,5.25,;8.12,3.92,;9.66,3.92,;10.43,5.25,;9.66,6.58,;8.12,6.58,;5.81,2.58,;5.04,1.25,;3.04,-1.75,;4.38,-2.52,;5.71,-1.75,;4.38,-4.06,;3.04,-4.83,;1.71,-4.06,;1.71,-2.52,;-3.5,-3.92,)|
CN(C)C\C=C\C(=O)N1CC2(CC(C2)n2nc(-c3ccc(Oc4ccccc4)cn3)c3c(N)ncnc23)C1
CN(C)C\C=C\C(=O)N1CC[C@]2(C[C@@H](C2)n2nc(-c3ccc(Oc4ccccc4)cn3)c3c(N)ncnc23)C1 |r,wU:13.15,wD:11.11,(-11.2,-6.58,;-9.66,-6.58,;-8.89,-7.92,;-8.89,-5.25,;-7.35,-5.25,;-6.58,-3.92,;-5.04,-3.92,;-4.27,-5.25,;-4.27,-2.58,;-4.75,-1.12,;-3.5,-.21,;-2.26,-1.12,;-.92,-1.89,;-.15,-.56,;-1.49,.21,;1.34,-.16,;1.96,1.25,;3.5,1.25,;4.27,2.58,;3.5,3.92,;4.27,5.25,;5.81,5.25,;6.58,6.58,;8.12,6.58,;8.89,5.25,;10.43,5.25,;11.2,6.58,;10.43,7.92,;8.89,7.92,;6.58,3.92,;5.81,2.58,;3.81,-.42,;5.15,-1.19,;6.48,-.42,;5.15,-2.73,;3.81,-3.5,;2.48,-2.73,;2.48,-1.19,;-2.73,-2.58,)|
CN(C)C\C=C\C(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3ccc(Oc4ccccc4)cn3)c3c(N)ncnc23)C1 |r,wU:11.11,13.15,(-11.2,-6.58,;-9.66,-6.58,;-8.89,-7.92,;-8.89,-5.25,;-7.35,-5.25,;-6.58,-3.92,;-5.04,-3.92,;-4.27,-5.25,;-4.27,-2.58,;-4.75,-1.12,;-3.5,-.21,;-2.26,-1.12,;-.92,-1.89,;-.15,-.56,;-1.49,.21,;1.34,-.16,;1.96,1.25,;3.5,1.25,;4.27,2.58,;3.5,3.92,;4.27,5.25,;5.81,5.25,;6.58,6.58,;8.12,6.58,;8.89,5.25,;10.43,5.25,;11.2,6.58,;10.43,7.92,;8.89,7.92,;6.58,3.92,;5.81,2.58,;3.81,-.42,;5.15,-1.19,;6.48,-.42,;5.15,-2.73,;3.81,-3.5,;2.48,-2.73,;2.48,-1.19,;-2.73,-2.58,)|
CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3cccc(N4Cc5cc(sc5C4=O)C(C)(C)C)c3C)cc2C1
CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3cccc(N4Cc5ccc(cc5C4=O)C(C)(C)C)c3C)cc2C1
Cc1cc(Nc2cc(n[nH]c2=O)-c2cccc(N3Cc4cc(sc4C3=O)C(C)(C)C)c2C)nn1C
Cc1c(cccc1-c1cc(Nc2cc([nH]n2)C2CC2)c(=O)[nH]n1)N1Cc2cc(sc2C1=O)C(C)(C)C
Cc1cc(Nc2cc(n[nH]c2=O)-c2ccc(F)c(c2)N2Cc3cc(sc3C2=O)C(C)(C)C)nn1C
Cc1cc(Nc2cc(n[nH]c2=O)-c2cccc(N3Cc4cc(sc4C3=O)C(C)(C)C)c2C)no1
CC(C)(C)c1cc2CN(C(=O)c2s1)c1nc(ccc1F)-c1cc(Nc2cc([nH]n2)C2CC2)c(=O)[nH]n1
Cc1cc(Nc2cc(n[nH]c2=O)-c2ccc(F)c(n2)N2Cc3cc(sc3C2=O)C(C)(C)C)nn1C
Cc1c(cccc1-c1cc(Nc2nc3CCNCc3s2)c(=O)[nH]n1)N1Cc2cc(sc2C1=O)C(C)(C)C
Cc1c(cccc1-c1cc(Nc2cc(CN3CC(F)(F)C3)n(C)n2)c(=O)[nH]n1)N1Cc2cc(sc2C1=O)C(C)(C)C
CN1CCn2nc(Nc3cc(nn(C)c3=O)-c3cccc(N4Cc5cc(sc5C4=O)C(C)(C)C)c3CO)cc2C1
CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3cccc(N4Cc5cc(sc5C4=O)C(C)(C)C)c3CO)cc2C1
Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1
CNC(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:5.4|
Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(F)c4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)C#N |r,w:34.39|
Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(F)c4)cc3)c12)[C@H]1CCCN(C1)C(=O)C(=CC1CC1)C#N |r,w:34.39|
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C(O)CO)c3)n2)cc1
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)S(=O)(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
CN(CCO)C\C=C\C(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)\C=C\c1c[nH]cn1
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)\C=C\CN1CCOCC1
CN(C)C\C=C\C(=O)N1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
CN(C)C\C=C\C(=O)N[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:12.15,9.8,(5.41,-.16,;4.32,-1.25,;4.72,-2.74,;2.83,-.85,;1.74,-1.94,;.25,-1.54,;-.84,-2.63,;-.44,-4.12,;-2.32,-2.23,;-2.72,-.74,;-4.21,-.35,;-4.61,1.14,;-3.52,2.23,;-2.03,1.83,;-1.63,.35,;-3.92,3.72,;-3.37,5.16,;-4.56,6.13,;-4.56,7.67,;-3.23,8.44,;-3.23,9.98,;-4.56,10.75,;-4.56,12.29,;-3.23,13.06,;-1.9,12.29,;-.56,13.06,;-.56,14.6,;-1.9,15.37,;-3.23,14.6,;-5.9,9.98,;-5.9,8.44,;-5.85,5.29,;-7.34,5.69,;-7.74,7.17,;-8.43,4.6,;-8.03,3.11,;-6.55,2.71,;-5.46,3.8,)|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:23.26,wD:26.33,(-8.87,3.22,;-8.1,1.89,;-8.87,.55,;-8.1,-.78,;-6.56,-.78,;-5.79,.55,;-4.28,.87,;-4.12,2.4,;-5.53,3.03,;-5.93,4.52,;-4.84,5.61,;-5.24,7.1,;-6.72,7.49,;-7.12,8.98,;-6.03,10.07,;-4.55,9.67,;-3.46,10.76,;-3.86,12.25,;-5.34,12.65,;-6.43,11.56,;-7.81,6.4,;-7.41,4.92,;-6.56,1.89,;-2.95,.1,;-1.62,.87,;-.28,.1,;-.28,-1.44,;-1.62,-2.21,;-2.95,-1.44,;1.05,-2.21,;2.39,-1.44,;2.39,.1,;3.72,-2.21,;5.05,-1.44,)|
CN(C)C\C=C\C(=O)N1CCCC1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
CN(C)C\C=C\C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Nc1ncnc2n(C[C@H]3CCCN3C(=O)C=C)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C=C)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
CC#CC(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
CC#CC(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
CC#CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
CN(C)C\C=C\C(=O)N[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:12.15,wD:9.8,(5.67,1.62,;4.9,.28,;5.67,-1.05,;3.36,.28,;2.59,-1.05,;1.05,-1.05,;.28,-2.39,;1.05,-3.72,;-1.26,-2.39,;-2.03,-1.05,;-1.26,.28,;-2.03,1.62,;-3.57,1.62,;-4.34,.28,;-3.57,-1.05,;-4.34,2.95,;-3.79,4.39,;-4.98,5.36,;-4.98,6.9,;-3.65,7.67,;-3.65,9.21,;-4.98,9.98,;-4.98,11.52,;-3.65,12.29,;-2.32,11.52,;-.98,12.29,;-.98,13.83,;-2.32,14.6,;-3.65,13.83,;-6.32,9.21,;-6.32,7.67,;-6.27,4.52,;-7.76,4.92,;-8.16,6.4,;-8.85,3.83,;-8.45,2.34,;-6.97,1.94,;-5.88,3.03,)|
CN(CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(=O)C=C
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(CC1)C(=O)\C=C\CN1CCOCC1
Nc1ncnc2n(C[C@@H]3CCCN3C(=O)\C=C\CN3CCOCC3)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
CC#CC(=O)N[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:9.12,6.5,(4.06,2.48,;3.67,1,;3.27,-.49,;2.87,-1.98,;3.96,-3.07,;1.38,-2.38,;.29,-1.29,;-1.2,-1.69,;-2.28,-.6,;-1.89,.89,;-.4,1.29,;.69,.2,;-2.98,1.98,;-2.42,3.42,;-3.62,4.39,;-3.62,5.93,;-2.29,6.7,;-2.29,8.24,;-3.62,9.01,;-3.62,10.55,;-2.29,11.32,;-.95,10.55,;.38,11.32,;.38,12.86,;-.95,13.63,;-2.29,12.86,;-4.95,8.24,;-4.95,6.7,;-4.91,3.55,;-6.4,3.95,;-6.8,5.43,;-7.49,2.86,;-7.09,1.37,;-5.6,.97,;-4.51,2.06,)|
Nc1ncnc2n(CCNC(=O)C=C)nc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)\C=C\CN1CCOCC1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)\C=C\CN1CCOCC1 |r,wU:23.26,26.33,(-9.32,6.4,;-8.92,4.92,;-10.01,3.83,;-9.61,2.34,;-8.12,1.94,;-7.03,3.03,;-5.49,2.95,;-4.94,4.39,;-6.14,5.36,;-6.14,6.9,;-4.8,7.67,;-4.8,9.21,;-6.14,9.98,;-6.14,11.52,;-4.8,12.29,;-3.47,11.52,;-2.14,12.29,;-2.14,13.83,;-3.47,14.6,;-4.8,13.83,;-7.47,9.21,;-7.47,7.67,;-7.43,4.52,;-4.72,1.62,;-5.49,.28,;-4.72,-1.05,;-3.18,-1.05,;-2.41,.28,;-3.18,1.62,;-2.41,-2.39,;-.87,-2.39,;-.1,-3.72,;-.1,-1.05,;1.44,-1.05,;2.21,.28,;3.75,.28,;4.52,1.62,;6.06,1.62,;6.83,.28,;6.06,-1.05,;4.52,-1.05,)|
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cc4ccccc4[nH]3)c2n1
Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Cc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C2(CC2)C#C)c1
CC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(Cl)c2c1
Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C#C)c1
CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(Cl)c2c1
FCC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(Cl)c2c1
CC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(C)c2c1
CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(C)c2c1
Cc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)CF)c1
COc1c(F)cccc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
CN(C(C)(C)C)S(=O)(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
CCN(CC)S(=O)(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
CCOC(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
CCC#CC(=O)Nc1cc(ccc1F)-c1cnc2[nH]cc(C)c2c1
CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(c3)S(=O)(=O)N(C)C(C)(C)C)c2c1
CN(C(C)(C)C)S(=O)(=O)c1cccc(c1)-c1c[nH]c2ncc(nc12)-c1cccc(NC(=O)C=C)c1
CN(C)\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]nc(C)c2c1
CN(C)\C=C\C(=O)Nc1cc(ccc1Cl)-c1cnc2[nH]nc(C)c2c1
Cc1n[nH]c2ncc(cc12)-c1ccc(Cl)c(NC(=O)C=C)c1
CC\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]nc(C)c2c1
C=CC(=O)Nc1cccc(n1)-c1cnc2[nH]ccc2c1
Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)n1
Fc1ccc(cc1NC(=O)C=C)-c1cnc2[nH]ccc2c1
Fc1ccc(cc1NC(=O)C=C)-c1cnc2[nH]cc(Cl)c2c1
C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cc4ccccc4[nH]3)c2c1
Cc1ccc2cc([nH]c2c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
O=C(Nc1cccc(n1)-c1cnc2[nH]ccc2c1)C#C
CCC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]ccc2c1
Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C#C)n1
CCC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]cc(Cl)c2c1
CC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]ccc2c1
CC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]cc(Cl)c2c1
Fc1ccc(cc1NC(=O)C#C)-c1cnc2[nH]ccc2c1
Fc1ccc(cc1NC(=O)C#C)-c1cnc2[nH]cc(Cl)c2c1
CCC#CC(=O)Nc1cc(ccc1F)-c1cnc2[nH]ccc2c1
CCC#CC(=O)Nc1cc(ccc1F)-c1cnc2[nH]cc(Cl)c2c1
CC#CC(=O)Nc1cc(ccc1F)-c1cnc2[nH]ccc2c1
CC#CC(=O)Nc1cc(ccc1F)-c1cnc2[nH]cc(Cl)c2c1
Cc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C#C)n1
CCC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]cc(C)c2c1
CC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]cc(C)c2c1
Cc1c[nH]c2ncc(cc12)-c1ccc(F)c(NC(=O)C#C)c1
COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)\C=C\CN(C)C)ccc1F
COc1cc(F)c(C)cc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)\C=C\CN(C)C)c1
COc1cc(F)c(C)cc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(C)c3F)c2c1
Cc1cccc(-c2c[nH]c3ncc(cc23)-c2cccc(NC(=O)C=C)c2)c1F
C=CC(=O)Nc1cccc(c1)-c1cnc2NC(=O)Cc2c1
CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(C)c2c1
CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(Cl)c2c1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C(=CC1CC1)C#N |w:32.37|
Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C(=CC3CC3)C#N)cc(-c3ccc(Oc4ccccc4)cc3)c12 |r,w:16.17|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(CC1)C(=O)C(=CC1CC1)C#N |w:32.37|
COc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)-c1nn(CC2CCCN(C2)C(=O)C(=CC2CC2)C#N)c2ncnc(N)c12 |w:30.33|
COc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)-c1nn(C2CCCN(C2)C(=O)C(=CC2CC2)C#N)c2ncnc(N)c12 |w:29.32|
COc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)-c1nn(C2CCN(CC2)C(=O)C(=CC2CC2)[N+]#[C-])c2ncnc(N)c12 |w:29.32|
Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r,w:16.17|
Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C(=CC3CC3)C#N)cc(-c3ccc(Oc4ccccc4)cc3)c12 |w:16.17|
Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4cccc(F)c4F)cc3)c12 |r,w:16.17|
Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4c(F)cccc4F)cc3)c12 |r,w:16.17|
Nc1ncnc2n(CCNC(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3)c12 |w:13.13|
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(F)c4F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)C#N |r,w:34.39|
Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccc(F)c(F)c4)cc3)c12 |r,w:16.17|
Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3F)c12 |r,w:16.17|
Nc1ncnc2n(CC3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4cc(F)ccc4F)cc3)c12 |w:16.17|
Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4cc(F)cc(F)c4)cc3F)c12 |r,w:16.17|
Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4cccc(F)c4F)cc3F)c12 |r,w:16.17|
Cc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C[C@H]1CCCN1C(=O)C(=CC1CC1)C#N |r,w:32.42|
Cc1c(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc2n1C[C@H]1CCCN1C(=O)C(=CC1CC1)C#N |r,wD:26.29,(.24,-1.3,;-1.1,-.53,;-1.57,.93,;-.8,2.26,;-1.57,3.6,;-.8,4.93,;.74,4.93,;1.51,6.27,;3.05,6.27,;3.82,4.93,;5.36,4.93,;6.13,6.27,;5.36,7.6,;3.82,7.6,;1.51,3.6,;.74,2.26,;1.83,1.18,;-3.11,.93,;-4.14,2.08,;-3.75,3.56,;-5.65,1.76,;-6.13,.29,;-5.1,-.85,;-3.59,-.53,;-2.34,-1.44,;-1.66,-3.27,;-3.22,-4.15,;-4.75,-4.31,;-5.07,-5.81,;-3.74,-6.58,;-2.6,-5.55,;-.75,-6.49,;-.1,-5.03,;-.37,-8.06,;.03,-9.55,;1.77,-10.35,;3.52,-9.99,;2.58,-12.25,;.97,-7.29,;2.51,-7.29,)|
CC(C)(CNC(=O)C(=CC1CC1)C#N)Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |w:8.8|
Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)c(F)c3)c12 |r,w:16.17|
CC(C)C=C(C#N)C(=O)N1CCCC1Cn1nc(-c2ccc(Oc3cccc(F)c3)cc2F)c2c(N)ncnc12 |w:3.2|
CN(C)C(C)(C)\C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1c(C)c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
CC(C)\C=C(/C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cc(F)ccc3F)cc2)c2c(N)ncnc12 |r|
CC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
CC(C)\C=C(/C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3c(F)cccc3F)cc2)c2c(N)ncnc12 |r|
CC(C)\C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2)c2c(N)ncnc12 |r|
CC(C)\C=C(/C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3c(F)cccc3F)cc2F)c2c(N)ncnc12 |r|
CC(C)(NC1CC1)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:7.7|
CN(C)C(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:6.5|
CN(C)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:6.5|
CCNC(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:6.5|
COCCNC(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:8.7|
CC(C)(C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCOCC1 |r,w:3.2|
CC(C)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12 |r|
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C(=CC1CC1)C#N |r,w:32.37|
CNC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12 |r,w:5.4|
CN(C)C(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12 |r,w:6.5|
CN(C)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12 |r,w:6.5|
CCOC(C)(C)C=C(C#N)C(=O)C1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:6.5|
CCOC(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12 |r,w:6.5|
CC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1cc(-c2ccc(Oc3cccc(F)c3F)cc2)c2c(N)ncnc12 |r,w:4.3|
CC(C)C(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,w:6.5|
CC(C)C=C(C#N)C(=O)N[C@H](C)Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:3.2|
C[C@H](Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)NC(=O)C(=CC(C)(C)N(C)C)C#N |r,w:31.35|
C[C@H](Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)NC(=O)C(=CC(C)(C)N)C#N |r,w:31.35|
CCN(CC)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,w:8.7|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12)N1CCOCC1 |r,w:3.2|
CC(C)(C)C=C(C#N)C(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |w:4.3|
CC(C)(C)C=C(C#N)C(=O)N1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |w:4.3|
CC(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,w:4.3|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(CC1)NC(=O)C(=CC1CC1)C#N |w:33.38,(-3.4,2.31,;-3.4,.77,;-4.73,-0,;-4.73,-1.54,;-3.4,-2.31,;-2.06,-1.54,;-.6,-2.02,;.31,-.77,;-.6,.47,;-.12,1.94,;-1.15,3.08,;-.68,4.55,;.83,4.87,;1.31,6.33,;2.81,6.65,;3.84,5.51,;5.35,5.83,;5.82,7.29,;4.79,8.44,;3.29,8.12,;1.86,3.72,;1.38,2.26,;-2.06,-0,;.77,-3.06,;.3,-4.42,;1.39,-5.51,;2.88,-5.11,;3.28,-3.62,;2.19,-2.53,;3.79,-6.06,;5.19,-6.69,;5.36,-8.22,;6.44,-5.78,;7.85,-6.41,;8.01,-7.94,;8.91,-9.19,;7.38,-9.35,;6.28,-4.25,;6.12,-2.72,)|
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(F)c4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)C#N |r,w:33.38|
Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4cccc(F)c4)cc3)c12 |r,w:16.17|
Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3F)c12 |r,w:16.17|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C(=C\C1CC1)\C#N
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)cccc4F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)C#N |r,w:34.39|
Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)ccc4F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)C#N |r,w:34.39|
Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4cc(F)ccc4F)cc3)c12 |r,w:16.17|
Nc1ncnc2n(CC3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3)c12 |w:16.17|
Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4c(F)cccc4F)cc3F)c12 |r,w:16.17|
Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4c(F)cccc4F)cc3F)c12 |r,w:16.17|
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)C#N |r,w:32.37|
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3F)c12)[C@@H]1CCCN(C1)C(=O)C(=C\C1CC1)\C#N |r|
Nc1ncnc2n(C[C@H]3CCCN3C(=O)C3CC3)nc(-c3ccc(Oc4ccccc4)cc3F)c12 |r|
Cc1cc(Oc2ccccc2)ccc1-c1nn(C[C@@H]2CCCN2C(=O)C(=CC2CC2)C#N)c2ncnc(N)c12 |r,w:26.29|
Nc1ncnc2n(CC3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3Cl)c12 |w:16.17|
CC(C)(N)C=C([N+]#[C-])C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3)cc2F)c2c(N)ncnc12 |r,w:4.3|
CC(C)(N)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3)cc2F)c2c(N)ncnc12 |r,w:4.3|
Nc1ncnc2n(C[C@@H]3CC(F)(F)CN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3F)c12 |r,w:18.19|
Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C(=CC3CC3)C#N)cc(-c3ccc(Oc4ccccc4)cc3F)c12 |r,w:16.17|
CC(C)C=C(C#N)C(=O)N1CC(F)(F)C[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:3.2|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:3.2|
CC(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:3.2|
CC(C)(N)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:4.3|
CC(C)(N)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:4.3|
CNC(C)(C)C=C(C#N)C(=O)N1CCCC1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |w:5.4|
CCNC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:6.5|
CCOC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:6.5|
CCOC(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:6.5|
Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C(=CC3(N)CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3F)c12 |r,w:16.17|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCOCC1 |r,w:3.2|
CC(C)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12 |r|
CC(C)(N)C=C(C#N)C(=O)N1CCCC1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12 |w:4.3|
CNC(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12 |r,w:5.4|
CC(C)C=C(C#N)C(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |w:3.2|
CC(C)(N)C=C(C#N)C(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |w:4.3|
Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3CC3)C#N)cc(-c3ccc(Oc4cccc(F)c4F)cc3)c12 |r,w:16.17|
CC(C)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,w:6.5|
C[C@H](Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)NC(=O)C(=CC(C)(C)C)C#N |r,w:31.35|
CCOC(C)(C)C=C(C#N)C(=O)N[C@H](C)Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:6.5|
Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C(=C\C3CCCN3)\C#N)nc(-c3ccc(Oc4ccccc4)cc3F)c12 |r|
CC(Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)NC(=O)C(=CC(C)(C)N)C#N |w:31.35|
CCN(CC)C(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,w:8.7|
CC1(COC1)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:5.5|
CC(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:4.3|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2)C2(F)CC2)c1C |c:8|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc3c(OCC3(C)C)c2)c1C |c:8|
CC1CCc2sc(cc2C1)C(=O)Nc1cc(F)cc(c1C)-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N(C)C |t:35|
CC(C)N(C)c1ccc(cc1)C(=O)Nc1cc(F)cc(c1C)-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N(C)C |t:35|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc3c(C)c[nH]c3c2)c1C |c:8|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2)C(C)(C)CO)c1C |c:8|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2)N2CCCCC2)c1C |c:8|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2)C(C)=C)c1C |c:8|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2)C2(CC2)C(F)(F)F)c1C |c:8|
CC(C)Oc1ccc(cc1)C(=O)Nc1cc(F)cc(c1C)-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N(C)C |t:34|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2)S(F)(F)(F)(F)F)c1C |c:8|
COCC(C)(C)c1ccc(cc1)C(=O)Nc1cc(F)cc(c1C)-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N(C)C |t:36|
COC(C)(C)c1ccc(cc1)C(=O)Nc1cc(F)cc(c1C)-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N(C)C |t:35|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc3ccn(C)c3n2)c1C |c:8|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2)N(C)C)c1C |c:8|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(NC(=O)c2ccc(cc2F)C(C)(C)O)c1CO |c:8|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(NC(=O)c2ccc(cc2)C2CC2)c1CO |c:8|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2)C(C)(O)C(F)(F)F)c1C |c:8|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2)C(C)=O)c1C |c:8|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1ccc(F)c(NC(=O)c2ccc(cc2)C2CC2)c1 |c:8|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1ccc(F)c(NC(=O)c2ccc(cc2)C(C)(C)CO)c1 |c:8|
Cc1c(NC(=O)c2ccc(cc2F)C(C)(C)O)cc(F)cc1-c1ncnc2[nH]c(cc12)C1=CCOCC1 |t:35|
CC(C)(O)c1ccc(C(=O)Nc2cccc(c2CO)-c2ncnc3[nH]c(cc23)C2=CCOCC2)c(F)c1 |t:31|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cc(F)cc1-c1ncnc2[nH]c(cc12)C1=CCSCC1 |t:34|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cc(F)cc1-c1ncnc2[nH]c(cc12)C1=CCS(=O)CC1 |t:34|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cc(F)cc1-c1ncnc2[nH]c(cc12)C1=CCS(=O)(=O)CC1 |t:34|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cc(F)cc1-c1ncnc2[nH]c(cc12)C1=CCC2(CC1)OCCO2 |t:34|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cc(F)cc1-c1ncnc2[nH]c(cc12)C1=CCC(O)CC1 |t:34|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2)C2CC2)c1C |c:8|
Cc1c(NC(=O)c2ccc(cc2)C2CC2)cc(F)cc1-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N1CCCC1 |t:34|
CC(=O)OCC(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2)C2CC2)c1C |c:10|
Cc1c(NC(=O)c2ccc(cc2)C2CC2)cc(F)cc1-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CO |t:34|
Cc1c(NC(=O)c2ccc(cc2)C2CC2)cc(F)cc1-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CC#N |t:34|
Cc1c(NC(=O)c2ccc(cc2)S(F)(F)(F)(F)F)cc(F)cc1-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N1CCCC1 |t:36|
CC(=O)OCC(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2)S(F)(F)(F)(F)F)c1C |c:10|
Cc1c(NC(=O)c2ccc(cc2)S(F)(F)(F)(F)F)cc(F)cc1-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CO |t:36|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1CO |c:8|
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1CO)-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CF |t:34|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2F)C(C)(C)O)c1C |c:8|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cc(F)cc1-c1ncnc2[nH]c(cc12)C1=CCNCC1 |t:34|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2)C(C)(C)C)c1C |c:8|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cc(F)cc1-c1ncnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:34|
CN(C)S(=O)(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)c2ccc(cc2)C(C)(C)C)c1C |c:9|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1ncnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:33|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(N2CCc3cc(ccc3C2=O)C(C)(C)C)c1CO |c:8|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(N2CCc3cc(ccc3C2=O)C2CC2)c1CO |c:8|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(N2CCc3cc(ccc3C2=O)C(C)(C)O)c1CO |c:8|
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1CO)-c1ncnc2[nH]c(cc12)C1=CCOCC1 |t:34|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cc(F)cc1-c1ncnc2[nH]c(cc12)C1=CCOCC1 |t:34|
CN(C)c1ccc(cc1)C(=O)Nc1cc(F)cc(c1C)-c1ncnc2[nH]c(cc12)C1=CCOCC1 |t:33|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1ncnc2[nH]c(cc12)C1=CCSCC1 |t:33|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1ncnc2[nH]c(cc12)C1=CCS(=O)CC1 |t:33|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1ncnc2[nH]c(cc12)C1=CCS(=O)(=O)CC1 |t:33|
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1CO)-c1ncnc2[nH]c(cc12)C1=CCC2(CC1)OCCO2 |t:34|
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1CO)-c1ncnc2[nH]c(cc12)C1=CCC(O)CC1 |t:34|
CN(C)C1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1CO |c:6|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)N2CC(C2)OC(C)(C)C)c1C |c:8|
CC(C)OC1CN(C1)C(=O)Nc1cc(F)cc(c1C)-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N(C)C |t:32|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)N2Cc3ccc(F)cc3C2)c1C |c:8|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cc(F)cc(NC(=O)N2CC(C2)OC(C(F)(F)F)C(F)(F)F)c1C |c:8|
Cc1c(NC(=O)N2CC(C2)OC(C)(C)C)cc(F)cc1-c1ncnc2[nH]c(cc12)C1=CCOCC1 |t:33|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1ccc(F)c(NC(=O)N2CC(C2)OC(C)(C)C)c1 |c:8|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1ccc(F)c(NC(=O)N2CC(C2)OC(C)(C)C)c1C |c:8|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1ncnc2[nH]c(cc12)C1=CCOCC1 |t:33|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1ncnc2[nH]c(cc12)C1=CCC2(CC1)OCCO2 |t:33|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1ncnc2[nH]c(cc12)C1=CCC(O)CC1 |t:33|
CN(C)C1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1C |c:6|
CN1CCN(Cc2ccc(cc2)-c2cc3c(ncnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2C)CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccc(CN2CCNCC2)cc1)N1CCc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1cccc(CN2CCNCC2)c1)N1CCc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1cccc(CN2CCNCC2)c1)N1CCOc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1)N1CCOc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1)N1CCc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1cccc(CN2CCOCC2)c1)N1CCOc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1cccc(CN2CCOCC2)c1)N1CCc2cc(ccc2C1=O)C1CC1
CN1CCN(Cc2ccc(cc2)-c2cc3c(ncnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1
CN1CCN(Cc2ccc(cc2)-c2cc3c(ncnc3[nH]2)-c2cccc(N3CCc4cc(ccc4C3=O)C3CC3)c2C)CC1
CCN1CCN(Cc2ccc(cc2)-c2cc3c(ncnc3[nH]2)-c2cccc(N3CCc4cc(ccc4C3=O)C3CC3)c2C)CC1
OCc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1)N1CCOc2cc(ccc2C1=O)C1CC1
CC1(O)CCN(Cc2ccc(cc2)-c2cc3c(ncnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1
CCN1CCN(Cc2ccc(cc2)-c2cc3c(ncnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1
CN1CCN(Cc2ccc(cc2)-c2cc3c(ncnc3[nH]2)-c2cccc(c2CO)-n2ccc3cc(ccc3c2=O)C2CC2)CC1
CN1CCN(Cc2ccc(cc2)-c2cc3c(ncnc3[nH]2)-c2cccc(c2C)-n2ccc3cc(ccc3c2=O)C2CC2)CC1
CN1CCN(Cc2ccc(cc2)-c2cc3c(ncnc3[nH]2)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C2CC2)CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccc(CN2CCNC(=O)C2)cc1)N1CCc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccc(CN2CCC(C)(O)CC2)cc1)N1CCc2cc(ccc2C1=O)C1CC1
CN1CCN(Cc2ccc(cc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1
OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCC(CC2)C#N)cc1)N1CCOc2cc(ccc2C1=O)C1CC1
CN1CCN(Cc2ccc(cc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2C)CC1
CCN1CCN(Cc2ccc(cc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1
CC1(O)CN(Cc2ccc(cc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)C1
CN1CCN(Cc2ccc(-c3cc4c(ccnc4[nH]3)-c3cccc(N4CCOc5cc(ccc5C4=O)C4CC4)c3CO)c(F)c2)CC1
CN1CCN(Cc2ccc(cc2F)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2C)CC1
CN1CCN(Cc2ccc(cn2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1
CCN1CCN(Cc2ccc(cn2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccc(CN2CCC(O)CC2)cc1)N1CCc2cc(ccc2C1=O)C1CC1
CN1CCN(CC1)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(ccc2c1=O)C1CC1
CN1CCN(CC1)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
CN1CCN(CC1)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1C
CN1CCC(=CC1)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO |c:4|
CN1CCOC(C1)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
CN1CCC(CC1)n1cc(cn1)-c1cc2c(ncnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
CN1CCC(CC1)n1cc(cn1)-c1cc2c(ncnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1C
CN1CCC(CC1)n1cc(cn1)-c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(ccc2c1=O)C1CC1
CN1CCC(CC1)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(ccc2c1=O)C1CC1
CN1CCC(CC1)n1cc(cn1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
CN1CCCC(C1)n1cc(cn1)-c1cc2c(ncnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
CN1CC(C1)n1cc(cn1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
CC(C)N1CC(C1)n1cc(cn1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
CN1CCC(CC1)n1cc(cn1)-c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ncc2cc(ccc2c1=O)C1CC1
CCN1CC(C1)n1cc(cn1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
CN1CCN(CC1)c1ccc(cn1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
CC(C)N1CC(C1)Oc1ccc(cn1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
CCN1CCC(CC1)n1cc(cn1)-c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ncc2cc(ccc2c1=O)C1CC1
OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1cnn(c1)C1CCN(CC1)C1COC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1
CN1CC(C1)n1cc(c(C)n1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1cnn(c1)C1COC1)N1CCOc2cc(ccc2C1=O)C1CC1
OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1cnn(c1)C1CCOCC1)N1CCOc2cc(ccc2C1=O)C1CC1
CC1(O)CCC(CC1)n1cc(cn1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO |(-7.46,-7.46,;-7.06,-5.97,;-5.97,-7.06,;-8.55,-5.57,;-8.95,-4.09,;-7.86,-3,;-6.37,-3.4,;-5.97,-4.88,;-8.26,-1.51,;-7.35,-.26,;-8.26,.98,;-9.72,.51,;-9.72,-1.03,;-7.49,2.32,;-5.96,2.48,;-5.64,3.98,;-4.3,4.75,;-4.3,6.29,;-5.64,7.06,;-6.97,6.29,;-6.97,4.75,;-8.11,3.72,;-2.97,3.98,;-2.97,2.44,;-1.64,1.67,;-.3,2.44,;-.3,3.98,;1.03,4.75,;.69,6.26,;1.65,7.46,;3.19,7.46,;4.15,6.26,;5.62,6.71,;6.75,5.66,;6.41,4.16,;4.94,3.71,;3.81,4.75,;2.42,4.09,;2.42,2.55,;8.22,6.12,;9.72,5.77,;9.27,7.24,;-1.64,4.75,;-1.64,6.29,;-2.97,7.06,)|
CN1CCC(CC1)Oc1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
CN1CC(C1)Oc1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
Cc1c(cccc1-n1ccc2cc(ccc2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C1CCN(CCO)CC1
CN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1
CN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1
CN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cnc4C3=O)C3CC3)c2CO)CC1
CCN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1
OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCN(CC2)C2CC2)cn1)N1CCOc2cc(ccc2C1=O)C1CC1
CS(=O)(=O)N1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1
CC(C)N1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1
OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCS(=O)(=O)CC2)cn1)N1CCOc2cc(ccc2C1=O)C1CC1
OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCN(CC(F)(F)F)CC2)cn1)N1CCOc2cc(ccc2C1=O)C1CC1
OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCN(CC2)S(=O)(=O)C2CC2)cn1)N1CCOc2cc(ccc2C1=O)C1CC1
CN(C)C(=O)N1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1
CCN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1
OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCN(CC2)C2COC2)cn1)N1CCOc2cc(cc(F)c2C1=O)C1CC1
CC1CN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC(C)N1C
CN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1=O
OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCN(CC(F)(F)F)CC2)cn1)N1CCOc2cc(cc(F)c2C1=O)C1CC1
OCc1c(cc(F)cc1-c1ccnc2[nH]c(CN3CCN(CC3)C3COC3)cc12)N1CCOc2cc(cc(F)c2C1=O)C1CC1
OCc1c(cc(F)cc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCN(CC(F)(F)F)CC2)cn1)N1CCOc2cc(cc(F)c2C1=O)C1CC1
OCc1c(cc(F)cc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCN(CC(F)F)CC2)cn1)N1CCOc2cc(cc(F)c2C1=O)C1CC1
OCc1c(cc(F)cc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cn1)N1CCOc2cc(cc(F)c2C1=O)C1CC1
CN1CCC(F)(CC1)c1ccc(nc1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
CN1CCCC(F)(C1)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1C
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCC(O)CC1)N1CCOc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCCC(O)C1)N1CCOc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCC(C)(O)CC1)N1CCOc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCCCC1)N1CCOc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCNCC1)N1CCOc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)NCC(F)(F)F)N1CCOc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CC(O)C1)N1CCOc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCCC1)N1CCOc2cc(ccc2C1=O)C1CC1
COC1CCN(CC1)C(=O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1C
COC1CN(C1)C(=O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1C
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCCC1C(O)=O)N1CCOc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCOCC1)N1CCc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCC(O)CC1)N1CCc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CC(O)C1)N1CCc2cc(ccc2C1=O)C1CC1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(N2CCc3cc(ccc3C2=O)C2CC2)c1C
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCNCC1)N1CCc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-n1ncc2cc(ccc2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCC(O)CC1
NC(=O)c1ccc(nc1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
CC1(O)CCN(CC1)C(=O)c1ccc(nc1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
CC1(O)CCN(CC1)C(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
CC1(O)CCN(CC1)C(=O)c1ccc(nc1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO
CC1(O)CN(C1)C(=O)c1ccc(nc1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccccc1)N1CCOc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccccc1)N1CCc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1)N1CCOc2cc(ccc2C1=O)C1CC1
CN1CCN(Cc2ccc(cc2)-c2cc3c(nc(N)nc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2C)CC1
Cc1c(cccc1-c1nc(N)nc2[nH]c(cc12)-c1ccc(nc1)N1CCOCC1)N1CCOc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-c1nc(N)nc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCOCC1)N1CCOc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)C1=CCN(CCO)CC1)N1CCOc2cc(ccc2C1=O)C1CC1 |t:19|
Cc1c(cccc1-c1ncnc2[nH]c(cc12)C1CCN(CCCO)CC1)N1CCOc2cc(ccc2C1=O)C1CC1
Cc1c(cccc1-c1ncnc2[nH]c(cc12)C1=CCCNC1)N1CCOc2cc(ccc2C1=O)C1CC1 |t:19|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO |c:8|
CN1CCN(Cc2ccc(cc2)-c2cc3c(-c4cccc(c4)N4CCOc5cc(ccc5C4=O)C4CC4)c(cnc3[nH]2)C#N)CC1
OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1ccc(cn1)C(O)=O)N1CCOc2cc(ccc2C1=O)C1CC1
OCC(O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
CC(C)N1CC(C1)n1cnc(c1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C(C)(C)O)c1CO |c:8|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:7|
OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1COC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:20|
OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N1CCC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:20|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:8|
CC1(O)CN(C1)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:12|
OCc1c(cc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1COC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:21|
OCc1c(cc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1COC1)N1CCOc2cc(ccc2C1=O)C1CC1 |t:21|
OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N1CCOCC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:20|
CCN(CC)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:10|
CC(C)(O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cc(F)cc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO |c:8|
OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CCOC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:20|
OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CCC2)CC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:20|
CC(C)(O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:8|
CC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:6|
OCc1c(nccc1-c1ccnc2[nH]c(cc12)C1=CCNCC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:20|
OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CCOCC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:20|
OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CC#N)N1CCOc2cc(ccc2C1=O)C1CC1 |t:20|
OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CN1CCC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:20|
CC(O)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:8|
OCC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:7|
NC(=O)CC1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:7|
OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCOCC2)cn1)N1CCOc2cc(cc(F)c2C1=O)C1CC1
OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCC2)cn1)N1CCOc2cc(cc(F)c2C1=O)C1CC1
OCc1c(cc(F)cc1-c1ccnc2[nH]c(cc12)-c1ccc(OC2CCN(CC2)C2COC2)cn1)N1CCOc2cc(cc(F)c2C1=O)C1CC1
CC(=O)N1CC(C1)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:11|
CCN1CC(C1)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:10|
CCN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:5|
CN1CC(C1)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:9|
CCN1CC(C1)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:12|
OCc1c(cccc1-c1ncnc2[nH]c(cc12)-c1cnn(c1)C1CCCN(C1)C(=O)C=C)N1CCOc2cc(cc(F)c2C1=O)C1CC1
OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1cnn(c1)C1CN(CC#N)C1)N1CCOc2cc(ccc2C1=O)C1CC1
CN1CCN(CC1)c1ccc(nc1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
Cc1c(cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1)N1Cc2cc(ccc2C1=O)C(C)(C)C
CN1CCNC(C1=O)c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(N3Cc4cc(sc4C3=O)C(C)(C)C)c2C)cc1
CN1CCNC(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(N3Cc4cc(sc4C3=O)C(C)(C)C)c2C)cc1
CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(N3Cc4cc(ccc4C3=O)C(C)(C)C)c2C)cc1
CN1CCN(C)C(=O)[C@@H]1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(F)c(N3Cc4cc(sc4C3=O)C(C)(C)C)c2F)cc1 |r|
CN1CCN(C)C(=O)[C@@H]1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(F)c(c2)N2Cc3cc(sc3C2=O)C(C)(C)C)cc1 |r|
CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(N3Cc4cc(ccc4C3=O)N3CCCCC3)c2C)cc1
Cn1cc(cc(Nc2cccc(OCCNC(=O)C=C)n2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Cn1cc(cc(Nc2ccnc(n2)N2CCC(C2)C(=O)NCC#N)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Cn1cc(cc(Nc2cccc(OCCNC(=O)C=C)n2)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Cn1cc(cc(Nc2cccc(NCCNC(=O)C=C)n2)c1=O)-c1cc(F)cc(c1CO)-n1ncc2c3CCCCc3sc2c1=O
CC#CC(=O)NCCOc1cccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(c2CO)-n2ncc3c4CCCCc4sc3c2=O)n1
C[C@@H](COc1cccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)n1)NC(=O)C=C |r|
C[C@@H](COc1cccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(c2CO)-n2ncc3c4CCCCc4sc3c2=O)n1)NC(=O)C=C |r|
Cn1cc(cc(Nc2cccc(NCCNC(=O)C=C)n2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
CN(CCNC(=O)C=C)c1cccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)n1
CN(CCNC(=O)C=C)c1cccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(c2CO)-n2ncc3c4CCCCc4sc3c2=O)n1
CN(CCOc1cccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)n1)C(=O)C=C
CN(CCOc1cccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(c2CO)-n2ncc3c4CCCCc4sc3c2=O)n1)C(=O)C=C
Cn1cc(cc(Nc2cccc(n2)N2CCC[C@@H](C2)NC(=O)C=C)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO |r|
Cn1cc(cc(Nc2cccc(n2)N2CCC[C@@H](C2)NC(=O)C=C)c1=O)-c1cc(F)cc(c1CO)-n1ncc2c3CCCCc3sc2c1=O |r|
CC#CC(=O)NCCOc1cccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)n1
Cn1cc(cc(Nc2cccc(OCCNC(=O)C(=C)C#N)n2)c1=O)-c1cc(F)cc(c1CO)-n1ncc2c3CCCCc3sc2c1=O
Cn1cc(cc(Nc2cccc(OCCNC(=O)C(=C)C#N)n2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
CC(C)(C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CC2(COC2)C1 |r,w:3.2|
C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
Oc1cc(Nc2ncc(Cl)c(n2)-c2cccc(NC(=O)C=C)c2)ccc1N1CCOCC1
CC(C)OP(=O)(OC(C)C)Oc1cc(Nc2ncc(Cl)c(n2)-c2cccc(NC(=O)C=C)c2)ccc1N1CCOCC1
CN(C)C\C=C\C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(C)ncnc12 |r|
CN(C)C\C=C\C(=O)NC1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:12.15,(5.41,-.16,;4.32,-1.25,;4.72,-2.74,;2.83,-.85,;1.74,-1.94,;.25,-1.54,;-.84,-2.63,;-.44,-4.12,;-2.32,-2.23,;-2.72,-.74,;-1.63,.35,;-2.03,1.83,;-3.52,2.23,;-4.61,1.14,;-4.21,-.35,;-3.92,3.72,;-3.01,4.96,;-3.92,6.21,;-3.44,7.68,;-4.47,8.82,;-4,10.28,;-2.49,10.6,;-2.01,12.07,;-3.05,13.21,;-4.55,12.89,;-5.58,14.04,;-5.11,15.5,;-3.6,15.82,;-2.57,14.68,;-1.46,9.46,;-1.94,8,;-5.38,5.73,;-6.72,6.5,;-6.72,8.04,;-8.05,5.73,;-8.05,4.19,;-6.72,3.42,;-5.38,4.19,)|
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
CNC(=O)C(Cc1c[nH]c2ncccc12)NC(=O)c1n[nH]c2cccc(CNc3ccc(O)cc3Cl)c12 |w:4.4|
CNC(=O)Cc1cccc(NC(=O)c2n[nH]cc2CNc2ccccc2[C@H](O)c2ccccc2)c1 |r|
CNC(=O)[C@H]1Cc2c3ccccc3[nH]c2CN1C(=O)c4c(cco4)CNc5ccc6c(c5)nccn6
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.75,9.19,;1.42,8.42,;.08,9.19,;-1.25,8.42,;-1.25,6.88,;.08,6.11,;1.42,6.88,;2.75,6.11,;2.75,4.57,;1.42,3.8,;4.09,3.8,;4.09,2.26,;5.42,4.57,;6.75,3.8,;6.75,2.26,;8.09,4.57,;8.09,6.11,;6.75,6.88,;5.42,6.11,;4.09,6.88,;4.09,8.42,;.08,10.73,;1.42,11.5,;2.96,11.5,;1.42,13.04,;.08,13.81,;.08,15.35,;1.42,16.12,;-1.25,16.12,;-1.25,13.04,;-2.71,13.51,;-3.62,12.27,;-5.15,12.1,;-5.78,10.7,;-4.87,9.45,;-3.34,9.61,;-2.71,11.02,;-1.25,11.5,;-7.32,10.7,;-8.09,9.36,;-6.55,9.36,;-8.09,12.03,)|
Cc1c(cccc1-n1c(=O)n(C)c2ccccc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.75,,;1.42,-.77,;.08,,;-1.25,-.77,;-1.25,-2.31,;.08,-3.08,;1.42,-2.31,;2.75,-3.08,;2.75,-4.62,;1.42,-5.39,;4.09,-5.39,;4.09,-6.93,;5.42,-4.62,;6.75,-5.39,;8.09,-4.62,;8.09,-3.08,;6.75,-2.31,;5.42,-3.08,;4.09,-2.31,;4.09,-.77,;.08,1.54,;1.42,2.31,;2.75,1.54,;1.42,3.85,;.08,4.62,;.08,6.16,;1.42,6.93,;-1.25,6.93,;-1.25,3.85,;-2.71,4.33,;-3.62,3.08,;-5.15,2.92,;-5.78,1.51,;-4.87,.27,;-3.34,.43,;-2.71,1.83,;-1.25,2.31,;-7.32,1.51,;-8.09,.18,;-6.55,.18,;-8.09,2.85,)|
Cc1cccc2c1n(C)c(=O)n(-c1cccc(c1C)-c1c(Cl)cc(C(N)=O)c3[nH]c4cc(ccc4c13)C(C)(C)O)c2=O |(6.75,-6.93,;6.75,-5.39,;8.09,-4.62,;8.09,-3.08,;6.75,-2.31,;5.42,-3.08,;5.42,-4.62,;4.09,-5.39,;4.09,-6.93,;2.75,-4.62,;1.42,-5.39,;2.75,-3.08,;1.42,-2.31,;.08,-3.08,;-1.25,-2.31,;-1.25,-.77,;.08,,;1.42,-.77,;2.75,,;.08,1.54,;1.42,2.31,;2.96,2.31,;1.42,3.85,;.08,4.62,;.08,6.16,;1.42,6.93,;-1.25,6.93,;-1.25,3.85,;-2.71,4.33,;-3.62,3.08,;-5.15,2.92,;-5.78,1.51,;-4.87,.27,;-3.34,.43,;-2.71,1.83,;-1.25,2.31,;-7.32,1.51,;-8.09,.18,;-6.55,.18,;-8.09,2.85,;4.09,-2.31,;4.09,-.77,)|
COc1ccc2c(c1)n(C)c(=O)n(-c1cccc(c1C)-c1c(Cl)cc(C(N)=O)c3[nH]c4cc(ccc4c13)C(C)(C)O)c2=O |(9.42,-4.62,;8.09,-5.39,;6.75,-4.62,;6.75,-3.08,;5.42,-2.31,;4.09,-3.08,;4.09,-4.62,;5.42,-5.39,;2.75,-5.39,;2.75,-6.93,;1.42,-4.62,;.08,-5.39,;1.42,-3.08,;.08,-2.31,;-1.25,-3.08,;-2.58,-2.31,;-2.58,-.77,;-1.25,,;.08,-.77,;1.42,,;-1.25,1.54,;.08,2.31,;1.42,1.54,;.08,3.85,;-1.25,4.62,;-1.25,6.16,;.08,6.93,;-2.58,6.93,;-2.58,3.85,;-4.05,4.33,;-4.95,3.08,;-6.48,2.92,;-7.11,1.51,;-6.21,.27,;-4.67,.43,;-4.05,1.83,;-2.58,2.31,;-8.65,1.51,;-9.42,.18,;-7.88,.18,;-9.42,2.85,;2.75,-2.31,;2.75,-.77,)|
COc1ccc2c(c1)n(C)c(=O)n(-c1cccc(c1C)-c1c(Cl)cc(C(N)=O)c3[nH]c4cc(ccc4c13)C(C)(C)O)c2=O |(,10.78,;1.33,11.55,;2.67,10.78,;2.67,9.24,;4,8.47,;5.33,9.24,;5.33,10.78,;4,11.55,;6.67,11.55,;6.67,13.09,;8,10.78,;9.34,11.55,;8,9.24,;9.34,8.47,;10.67,9.24,;12,8.47,;12,6.93,;10.67,6.16,;9.34,6.93,;8,6.16,;10.67,4.62,;9.34,3.85,;8,4.62,;9.34,2.31,;10.67,1.54,;10.67,,;12,-.77,;9.34,-.77,;12,2.31,;13.47,1.83,;14.37,3.08,;15.9,3.24,;16.53,4.65,;15.63,5.89,;14.09,5.73,;13.47,4.33,;12,3.85,;18.06,4.81,;19.59,4.97,;18.22,3.28,;17.9,6.34,;6.67,8.47,;6.67,6.93,)|
COc1cccc2c1n(C)c(=O)n(-c1cccc(c1C)-c1c(Cl)cc(C(N)=O)c3[nH]c4cc(ccc4c13)C(C)(C)O)c2=O |(8.09,-7.31,;6.75,-6.54,;6.75,-5,;8.09,-4.23,;8.09,-2.69,;6.75,-1.92,;5.42,-2.69,;5.42,-4.23,;4.09,-5,;4.09,-6.54,;2.75,-4.23,;1.42,-5,;2.75,-2.69,;1.42,-1.93,;.08,-2.69,;-1.25,-1.93,;-1.25,-.38,;.08,.38,;1.42,-.38,;2.75,.38,;.08,1.93,;1.42,2.69,;2.75,1.93,;1.42,4.23,;.08,5,;.08,6.54,;1.42,7.31,;-1.25,7.31,;-1.25,4.23,;-2.71,4.71,;-3.62,3.47,;-5.15,3.3,;-5.78,1.9,;-4.87,.65,;-3.34,.81,;-2.71,2.22,;-1.25,2.69,;-7.32,1.9,;-8.09,.56,;-6.55,.56,;-8.09,3.23,;4.09,-1.93,;4.09,-.38,)|
Cc1c(cccc1-n1c(=O)n(C)c2ccc(F)cc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.09,,;.75,-.77,;-.58,,;-1.92,-.77,;-1.92,-2.31,;-.58,-3.08,;.75,-2.31,;2.09,-3.08,;2.09,-4.62,;.75,-5.39,;3.42,-5.39,;3.42,-6.93,;4.75,-4.62,;6.09,-5.39,;7.42,-4.62,;7.42,-3.08,;8.75,-2.31,;6.09,-2.31,;4.75,-3.08,;3.42,-2.31,;3.42,-.77,;-.58,1.54,;.75,2.31,;2.09,1.54,;.75,3.85,;-.58,4.62,;-.58,6.16,;.75,6.93,;-1.92,6.93,;-1.92,3.85,;-3.38,4.33,;-4.29,3.08,;-5.82,2.92,;-6.44,1.51,;-5.54,.27,;-4.01,.43,;-3.38,1.83,;-1.92,2.31,;-7.98,1.51,;-8.75,.18,;-7.21,.18,;-8.75,2.85,)|
Cc1c(cccc1-n1c(=O)n(C)c2cc(F)ccc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.09,,;.75,-.77,;-.58,,;-1.92,-.77,;-1.92,-2.31,;-.58,-3.08,;.75,-2.31,;2.09,-3.08,;2.09,-4.62,;.75,-5.39,;3.42,-5.39,;3.42,-6.93,;4.75,-4.62,;6.09,-5.39,;7.42,-4.62,;8.75,-5.39,;7.42,-3.08,;6.09,-2.31,;4.75,-3.08,;3.42,-2.31,;3.42,-.77,;-.58,1.54,;.75,2.31,;2.09,1.54,;.75,3.85,;-.58,4.62,;-.58,6.16,;.75,6.93,;-1.92,6.93,;-1.92,3.85,;-3.38,4.33,;-4.29,3.08,;-5.82,2.92,;-6.44,1.51,;-5.54,.27,;-4.01,.43,;-3.38,1.83,;-1.92,2.31,;-7.98,1.51,;-8.75,.18,;-7.21,.18,;-8.75,2.85,)|
Cc1c(cccc1-n1c(=O)[nH]c2c(F)cc(F)cc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.47,,;1.14,-.77,;-.2,,;-1.53,-.77,;-1.53,-2.31,;-.2,-3.08,;1.14,-2.31,;2.47,-3.08,;2.47,-4.62,;1.14,-5.39,;3.8,-5.39,;5.14,-4.62,;6.47,-5.39,;6.47,-6.93,;7.8,-4.62,;7.8,-3.08,;9.14,-2.31,;6.47,-2.31,;5.14,-3.08,;3.8,-2.31,;3.8,-.77,;-.2,1.54,;1.14,2.31,;2.47,1.54,;1.14,3.85,;-.2,4.62,;-.2,6.16,;1.14,6.93,;-1.53,6.93,;-1.53,3.85,;-3,4.33,;-3.9,3.08,;-5.43,2.92,;-6.06,1.51,;-5.15,.27,;-3.62,.43,;-3,1.83,;-1.53,2.31,;-7.6,1.51,;-8.37,.18,;-9.14,1.51,;-8.37,2.85,)|
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.75,,;1.42,-.77,;.08,,;-1.25,-.77,;-1.25,-2.31,;.08,-3.08,;1.42,-2.31,;2.75,-3.08,;2.75,-4.62,;1.42,-5.39,;4.09,-5.39,;4.09,-6.93,;5.42,-4.62,;6.75,-5.39,;6.75,-6.93,;8.09,-4.62,;8.09,-3.08,;6.75,-2.31,;5.42,-3.08,;4.09,-2.31,;4.09,-.77,;.08,1.54,;1.42,2.31,;2.75,1.54,;1.42,3.85,;.08,4.62,;.08,6.16,;1.42,6.93,;-1.25,6.93,;-1.25,3.85,;-2.71,4.33,;-3.62,3.08,;-5.15,2.92,;-5.78,1.51,;-4.87,.27,;-3.34,.43,;-2.71,1.83,;-1.25,2.31,;-7.32,1.51,;-8.09,.18,;-6.55,.18,;-8.09,2.85,)|
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.75,.77,;1.42,,;.08,.77,;-1.25,,;-1.25,-1.54,;.08,-2.31,;1.42,-1.54,;2.75,-2.31,;2.75,-3.85,;1.42,-4.62,;4.09,-4.62,;4.09,-6.16,;5.42,-3.85,;6.75,-4.62,;6.75,-6.16,;8.09,-3.85,;8.09,-2.31,;6.75,-1.54,;5.42,-2.31,;4.09,-1.54,;4.09,,;.08,2.31,;1.42,3.08,;2.75,2.31,;1.42,4.62,;.08,5.39,;.08,6.93,;1.42,7.7,;-1.25,7.7,;-1.25,4.62,;-2.71,5.1,;-3.62,3.85,;-5.15,3.69,;-5.78,2.28,;-4.87,1.04,;-3.34,1.2,;-2.71,2.6,;-1.25,3.08,;-7.32,2.28,;-8.09,.95,;-6.55,.95,;-8.09,3.62,)|
Cc1c(cccc1-n1c(=O)[nH]c2c(F)cccc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.75,,;1.42,-.77,;.08,,;-1.25,-.77,;-1.25,-2.31,;.08,-3.08,;1.42,-2.31,;2.75,-3.08,;2.75,-4.62,;1.42,-5.39,;4.09,-5.39,;5.42,-4.62,;6.75,-5.39,;6.75,-6.93,;8.09,-4.62,;8.09,-3.08,;6.75,-2.31,;5.42,-3.08,;4.09,-2.31,;4.09,-.77,;.08,1.54,;1.42,2.31,;2.75,1.54,;1.42,3.85,;.08,4.62,;.08,6.16,;1.42,6.93,;-1.25,6.93,;-1.25,3.85,;-2.71,4.33,;-3.62,3.08,;-5.15,2.92,;-5.78,1.51,;-4.87,.27,;-3.34,.43,;-2.71,1.83,;-1.25,2.31,;-7.32,1.51,;-8.09,.18,;-6.55,.18,;-8.09,2.85,)|
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)C#N |(2.75,,;1.42,-.77,;.08,,;-1.25,-.77,;-1.25,-2.31,;.08,-3.08,;1.42,-2.31,;2.75,-3.08,;2.75,-4.62,;1.42,-5.39,;4.09,-5.39,;4.09,-6.93,;5.42,-4.62,;6.75,-5.39,;6.75,-6.93,;8.09,-4.62,;8.09,-3.08,;6.75,-2.31,;5.42,-3.08,;4.09,-2.31,;4.09,-.77,;.08,1.54,;1.42,2.31,;1.42,3.85,;.08,4.62,;.08,6.16,;1.42,6.93,;-1.25,6.93,;-1.25,3.85,;-2.71,4.33,;-3.62,3.08,;-5.15,2.92,;-5.78,1.51,;-4.87,.27,;-3.34,.43,;-2.71,1.83,;-1.25,2.31,;-7.32,1.51,;-8.09,.18,;-6.55,.18,;-8.09,2.85,;2.75,1.54,;4.09,.77,)|
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)C#N |(8,6.16,;9.34,6.93,;10.67,6.16,;12,6.93,;12,8.47,;10.67,9.24,;9.34,8.47,;8,9.24,;8,10.78,;9.34,11.55,;6.67,11.55,;6.67,13.09,;5.33,10.78,;4,11.55,;4,13.09,;2.67,10.78,;2.67,9.24,;4,8.47,;5.33,9.24,;6.67,8.47,;6.67,6.93,;10.67,4.62,;9.34,3.85,;9.34,2.31,;10.67,1.54,;10.67,,;12,-.77,;9.34,-.77,;12,2.31,;13.47,1.83,;14.37,3.08,;15.9,3.24,;16.53,4.65,;15.63,5.89,;14.09,5.73,;13.47,4.33,;12,3.85,;18.06,4.81,;19.59,4.97,;17.9,6.34,;18.22,3.28,;8,4.62,;6.67,5.39,)|
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.03,,;1.7,-.77,;.37,,;-.97,-.77,;-.97,-2.31,;.37,-3.08,;1.7,-2.31,;3.03,-3.08,;3.03,-4.62,;1.7,-5.39,;4.37,-5.39,;4.37,-6.93,;5.7,-4.62,;7.03,-5.39,;7.03,-6.93,;8.37,-4.62,;8.37,-3.08,;7.03,-2.31,;5.7,-3.08,;4.37,-2.31,;4.37,-.77,;.37,1.54,;1.7,2.31,;3.03,1.54,;1.7,3.85,;.37,4.62,;.37,6.16,;1.7,6.93,;-.97,6.93,;-.97,3.85,;-2.43,4.33,;-3.34,3.08,;-4.87,2.92,;-5.49,1.51,;-4.59,.27,;-3.06,.43,;-2.43,1.83,;-.97,2.31,;-7.03,1.51,;-7.03,-.03,;-8.37,.74,;-7.8,2.85,)|
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.75,,;1.42,-.77,;.08,,;-1.25,-.77,;-1.25,-2.31,;.08,-3.08,;1.42,-2.31,;2.75,-3.08,;2.75,-4.62,;1.42,-5.39,;4.09,-5.39,;4.09,-6.93,;5.42,-4.62,;6.75,-5.39,;6.75,-6.93,;8.09,-4.62,;8.09,-3.08,;6.75,-2.31,;5.42,-3.08,;4.09,-2.31,;4.09,-.77,;.08,1.54,;1.42,2.31,;2.75,1.54,;1.42,3.85,;.08,4.62,;.08,6.16,;1.42,6.93,;-1.25,6.93,;-1.25,3.85,;-2.71,4.33,;-3.62,3.08,;-5.15,2.92,;-5.78,1.51,;-4.87,.27,;-3.34,.43,;-2.71,1.83,;-1.25,2.31,;-7.32,1.51,;-8.09,.18,;-6.55,.18,;-8.09,2.85,)|
Cc1c(cccc1-n1c(=O)[nH]c2c(F)cccc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.03,,;1.7,-.77,;.37,,;-.97,-.77,;-.97,-2.31,;.37,-3.08,;1.7,-2.31,;3.03,-3.08,;3.03,-4.62,;1.7,-5.39,;4.37,-5.39,;5.7,-4.62,;7.03,-5.39,;7.03,-6.93,;8.37,-4.62,;8.37,-3.08,;7.03,-2.31,;5.7,-3.08,;4.37,-2.31,;4.37,-.77,;.37,1.54,;1.7,2.31,;3.03,1.54,;1.7,3.85,;.37,4.62,;.37,6.16,;1.7,6.93,;-.97,6.93,;-.97,3.85,;-2.43,4.33,;-3.34,3.08,;-4.87,2.92,;-5.49,1.51,;-4.59,.27,;-3.06,.43,;-2.43,1.83,;-.97,2.31,;-7.03,1.51,;-7.03,-.03,;-8.37,.74,;-7.8,2.85,)|
Cc1c(cccc1-n1c(=O)[nH]c2c(F)cccc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.75,9.88,;1.42,9.11,;.08,9.88,;-1.25,9.11,;-1.25,7.57,;.08,6.8,;1.42,7.57,;2.75,6.8,;2.75,5.26,;1.42,4.49,;4.09,4.49,;5.42,5.26,;6.75,4.49,;6.75,2.95,;8.09,5.26,;8.09,6.8,;6.75,7.57,;5.42,6.8,;4.09,7.57,;4.09,9.11,;.08,11.42,;1.42,12.19,;2.75,11.42,;1.42,13.73,;.08,14.5,;.08,16.04,;1.42,16.81,;-1.25,16.81,;-1.25,13.73,;-2.71,14.2,;-3.62,12.96,;-5.15,12.8,;-5.78,11.39,;-4.87,10.14,;-3.34,10.31,;-2.71,11.71,;-1.25,12.19,;-7.32,11.39,;-8.09,10.06,;-6.55,10.06,;-8.09,12.72,)|
Cc1c(cccc1-n1c(=O)[nH]c2c(F)cccc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(8,6.16,;9.34,6.93,;10.67,6.16,;12,6.93,;12,8.47,;10.67,9.24,;9.34,8.47,;8,9.24,;8,10.78,;9.34,11.55,;6.67,11.55,;5.33,10.78,;4,11.55,;4,13.09,;2.67,10.78,;2.67,9.24,;4,8.47,;5.33,9.24,;6.67,8.47,;6.67,6.93,;10.67,4.62,;9.34,3.85,;8,4.62,;9.34,2.31,;10.67,1.54,;10.67,,;12,-.77,;9.34,-.77,;12,2.31,;13.47,1.83,;14.37,3.08,;15.9,3.24,;16.53,4.65,;15.63,5.89,;14.09,5.73,;13.47,4.33,;12,3.85,;18.06,4.81,;19.59,4.97,;17.9,6.34,;18.22,3.28,)|
Cc1c(cccc1-n1c(=O)ccn(-c2ccc(F)cc2)c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(1.42,-.77,;.08,-1.54,;-1.25,-.77,;-2.58,-1.54,;-2.58,-3.08,;-1.25,-3.85,;.08,-3.08,;1.42,-3.85,;1.42,-5.39,;.08,-6.16,;2.75,-6.16,;4.09,-5.39,;4.09,-3.85,;5.42,-3.08,;6.75,-3.85,;8.09,-3.08,;8.09,-1.54,;9.42,-.77,;6.75,-.77,;5.42,-1.54,;2.75,-3.08,;2.75,-1.54,;-1.25,.77,;.08,1.54,;1.42,.77,;.08,3.08,;-1.25,3.85,;-1.25,5.39,;.08,6.16,;-2.58,6.16,;-2.58,3.08,;-4.05,3.56,;-4.95,2.31,;-6.48,2.15,;-7.11,.74,;-6.21,-.5,;-4.67,-.34,;-4.05,1.06,;-2.58,1.54,;-8.65,.74,;-9.42,-.59,;-7.88,-.59,;-9.42,2.08,)|
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3C[C@H](CCc3c12)C(C)(C)O |r,wD:33.43,(2.75,,;1.42,-.77,;.08,,;-1.25,-.77,;-1.25,-2.31,;.08,-3.08,;1.42,-2.31,;2.75,-3.08,;2.75,-4.62,;1.42,-5.39,;4.09,-5.39,;4.09,-6.93,;5.42,-4.62,;6.75,-5.39,;6.75,-6.93,;8.09,-4.62,;8.09,-3.08,;6.75,-2.31,;5.42,-3.08,;4.09,-2.31,;4.09,-.77,;.08,1.54,;1.42,2.31,;2.75,1.54,;1.42,3.85,;.08,4.62,;.08,6.16,;1.42,6.93,;-1.25,6.93,;-1.25,3.85,;-2.71,4.33,;-3.62,3.08,;-5.15,2.92,;-5.78,1.51,;-4.87,.27,;-3.34,.43,;-2.71,1.83,;-1.25,2.31,;-7.32,1.51,;-8.09,.18,;-6.55,.18,;-8.09,2.85,)|
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3C[C@@H](CCc3c12)C(C)(C)O |r,wU:33.43,(2.75,,;1.42,-.77,;.08,,;-1.25,-.77,;-1.25,-2.31,;.08,-3.08,;1.42,-2.31,;2.75,-3.08,;2.75,-4.62,;1.42,-5.39,;4.09,-5.39,;4.09,-6.93,;5.42,-4.62,;6.75,-5.39,;6.75,-6.93,;8.09,-4.62,;8.09,-3.08,;6.75,-2.31,;5.42,-3.08,;4.09,-2.31,;4.09,-.77,;.08,1.54,;1.42,2.31,;2.75,1.54,;1.42,3.85,;.08,4.62,;.08,6.16,;1.42,6.93,;-1.25,6.93,;-1.25,3.85,;-2.71,4.33,;-3.62,3.08,;-5.15,2.92,;-5.78,1.51,;-4.87,.27,;-3.34,.43,;-2.71,1.83,;-1.25,2.31,;-7.32,1.51,;-8.09,.18,;-6.55,.18,;-8.09,2.85,)|
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3C[C@H](CCc3c12)C(C)(C)O |r,wD:33.43,(3.03,,;1.7,-.77,;.37,,;-.97,-.77,;-.97,-2.31,;.37,-3.08,;1.7,-2.31,;3.03,-3.08,;3.03,-4.62,;1.7,-5.39,;4.37,-5.39,;4.37,-6.93,;5.7,-4.62,;7.03,-5.39,;7.03,-6.93,;8.37,-4.62,;8.37,-3.08,;7.03,-2.31,;5.7,-3.08,;4.37,-2.31,;4.37,-.77,;.37,1.54,;1.7,2.31,;3.03,1.54,;1.7,3.85,;.37,4.62,;.37,6.16,;1.7,6.93,;-.97,6.93,;-.97,3.85,;-2.43,4.33,;-3.34,3.08,;-4.87,2.92,;-5.49,1.51,;-4.59,.27,;-3.06,.43,;-2.43,1.83,;-.97,2.31,;-7.03,1.51,;-7.03,-.03,;-8.37,.74,;-7.8,2.85,)|
Cc1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1-c1cccc(c1C)-n1c(=O)n(C)c2c(F)cccc2c1=O)C(C)(C)O |(3.03,1.54,;1.7,2.31,;1.7,3.85,;.37,4.62,;.37,6.16,;1.7,6.93,;-.97,6.93,;-.97,3.85,;-2.43,4.33,;-3.34,3.08,;-4.87,2.92,;-5.49,1.51,;-4.59,.27,;-3.06,.43,;-2.43,1.83,;-.97,2.31,;.37,1.54,;.37,,;-.97,-.77,;-.97,-2.31,;.37,-3.08,;1.7,-2.31,;1.7,-.77,;3.03,,;3.03,-3.08,;3.03,-4.62,;1.7,-5.39,;4.37,-5.39,;4.37,-6.93,;5.7,-4.62,;7.03,-5.39,;7.03,-6.93,;8.37,-4.62,;8.37,-3.08,;7.03,-2.31,;5.7,-3.08,;4.37,-2.31,;4.37,-.77,;-7.03,1.51,;-7.03,-.03,;-8.37,.74,;-7.8,2.85,)|
Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.03,,;1.7,-.77,;.37,,;-.97,-.77,;-.97,-2.31,;.37,-3.08,;1.7,-2.31,;3.03,-3.08,;3.03,-4.62,;1.7,-5.39,;4.37,-5.39,;5.7,-4.62,;7.03,-5.39,;7.03,-6.93,;8.37,-4.62,;8.37,-3.08,;7.03,-2.31,;5.7,-3.08,;4.37,-2.31,;4.37,-.77,;.37,1.54,;1.7,2.31,;3.03,1.54,;1.7,3.85,;.37,4.62,;.37,6.16,;1.7,6.93,;-.97,6.93,;-.97,3.85,;-2.43,4.33,;-3.34,3.08,;-4.87,2.92,;-5.49,1.51,;-4.59,.27,;-3.06,.43,;-2.43,1.83,;-.97,2.31,;-7.03,1.51,;-7.03,-.03,;-8.37,.74,;-7.8,2.85,)|
Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(1.33,8.47,;1.33,6.93,;,6.16,;,4.62,;1.33,3.85,;2.67,4.62,;2.67,6.16,;4,6.93,;4,8.47,;2.67,9.24,;5.33,9.24,;6.67,8.47,;8,9.24,;8,10.78,;9.34,8.47,;9.34,6.93,;8,6.16,;6.67,6.93,;5.33,6.16,;5.33,4.62,;-1.33,6.93,;-1.33,8.47,;,9.24,;-2.67,9.24,;-4,8.47,;-5.33,9.24,;-6.67,8.47,;-5.33,10.78,;-4,6.93,;-5.15,5.9,;-4.52,4.49,;-5.15,3.09,;-4.24,1.84,;-2.71,2,;-2.08,3.41,;-2.99,4.65,;-2.67,6.16,;-4.87,.43,;-5.49,-.97,;-3.46,-.19,;-6.27,1.06,)|
Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.03,8.9,;1.7,8.13,;.37,8.9,;-.97,8.13,;-.97,6.59,;.37,5.82,;1.7,6.59,;3.03,5.82,;3.03,4.28,;1.7,3.51,;4.37,3.51,;5.7,4.28,;7.03,3.51,;7.03,1.97,;8.37,4.28,;8.37,5.82,;7.03,6.59,;5.7,5.82,;4.37,6.59,;4.37,8.13,;.37,10.44,;1.7,11.21,;3.03,10.44,;1.7,12.75,;.37,13.52,;.37,15.06,;1.7,15.83,;-.97,15.83,;-.97,12.75,;-2.43,13.22,;-3.34,11.98,;-4.87,11.82,;-5.49,10.41,;-4.59,9.16,;-3.06,9.32,;-2.43,10.73,;-.97,11.21,;-7.03,10.41,;-6.64,8.92,;-8.37,9.64,;-7.8,11.74,)|
Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(1.33,8.47,;1.33,6.93,;,6.16,;,4.62,;1.33,3.85,;2.67,4.62,;2.67,6.16,;4,6.93,;4,8.47,;2.67,9.24,;5.33,9.24,;6.67,8.47,;8,9.24,;8,10.78,;9.34,8.47,;9.34,6.93,;8,6.16,;6.67,6.93,;5.33,6.16,;5.33,4.62,;-1.33,6.93,;-1.33,8.47,;,9.24,;-2.67,9.24,;-4,8.47,;-5.33,9.24,;-6.67,8.47,;-5.33,10.78,;-4,6.93,;-5.15,5.9,;-4.52,4.49,;-5.15,3.09,;-4.24,1.84,;-2.71,2,;-2.08,3.41,;-2.99,4.65,;-2.67,6.16,;-4.87,.43,;-5.49,-.97,;-3.46,-.19,;-6.27,1.06,)|
Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.03,,;1.7,-.77,;.37,,;-.97,-.77,;-.97,-2.31,;.37,-3.08,;1.7,-2.31,;3.03,-3.08,;3.03,-4.62,;1.7,-5.39,;4.37,-5.39,;5.7,-4.62,;7.03,-5.39,;7.03,-6.93,;8.37,-4.62,;8.37,-3.08,;7.03,-2.31,;5.7,-3.08,;4.37,-2.31,;4.37,-.77,;.37,1.54,;1.7,2.31,;3.03,1.54,;1.7,3.85,;.37,4.62,;.37,6.16,;1.7,6.93,;-.97,6.93,;-.97,3.85,;-2.43,4.33,;-3.34,3.08,;-4.87,2.92,;-5.49,1.51,;-4.59,.27,;-3.06,.43,;-2.43,1.83,;-.97,2.31,;-7.03,1.51,;-6.64,.02,;-8.37,.74,;-7.8,2.85,)|
Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(1.33,8.47,;1.33,6.93,;,6.16,;,4.62,;1.33,3.85,;2.67,4.62,;2.67,6.16,;4,6.93,;4,8.47,;2.67,9.24,;5.33,9.24,;6.67,8.47,;8,9.24,;8,10.78,;9.34,8.47,;9.34,6.93,;8,6.16,;6.67,6.93,;5.33,6.16,;5.33,4.62,;-1.33,6.93,;-1.33,8.47,;,9.24,;-2.67,9.24,;-4,8.47,;-5.33,9.24,;-6.67,8.47,;-5.33,10.78,;-4,6.93,;-5.15,5.9,;-4.52,4.49,;-5.15,3.09,;-4.24,1.84,;-2.71,2,;-2.08,3.41,;-2.99,4.65,;-2.67,6.16,;-4.87,.43,;-5.49,-.97,;-3.46,-.19,;-6.27,1.06,)|
COc1cccn2c1cc(=O)n(-c1cccc(c1C)-c1c(Cl)cc(C(N)=O)c3[nH]c4cc(ccc4c13)C(C)(C)O)c2=O |(8.37,-7.31,;7.03,-6.54,;7.03,-5,;8.37,-4.23,;8.37,-2.69,;7.03,-1.92,;5.7,-2.69,;5.7,-4.23,;4.37,-5,;3.03,-4.23,;1.7,-5,;3.03,-2.69,;1.7,-1.93,;.37,-2.69,;-.97,-1.93,;-.97,-.38,;.37,.38,;1.7,-.38,;3.03,.38,;.37,1.93,;1.7,2.69,;3.03,1.93,;1.7,4.23,;.37,5,;.37,6.54,;1.7,7.31,;-.97,7.31,;-.97,4.23,;-2.43,4.71,;-3.34,3.47,;-4.87,3.3,;-5.49,1.9,;-4.59,.65,;-3.06,.81,;-2.43,2.22,;-.97,2.69,;-7.03,1.9,;-6.64,.41,;-8.37,1.13,;-7.8,3.23,;4.37,-1.93,;4.37,-.38,)|
Cc1c(cccc1-n1c(=O)cc2sccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.18,-.77,;1.85,-1.54,;.52,-.77,;-.82,-1.54,;-.82,-3.08,;.52,-3.85,;1.85,-3.08,;3.18,-3.85,;3.18,-5.39,;1.85,-6.16,;4.52,-6.16,;5.85,-5.39,;7.31,-5.87,;8.22,-4.62,;7.31,-3.37,;5.85,-3.85,;4.52,-3.08,;4.52,-1.54,;.52,.77,;1.85,1.54,;3.18,.77,;1.85,3.08,;.52,3.85,;.52,5.39,;1.85,6.16,;-.82,6.16,;-.82,3.08,;-2.28,3.56,;-3.19,2.31,;-4.72,2.15,;-5.35,.74,;-4.44,-.5,;-2.91,-.34,;-2.28,1.06,;-.82,1.54,;-6.89,.74,;-8.22,-.03,;-6.49,-.75,;-7.66,2.08,)|
Cc1c(cccc1-n1c(=O)cc2sccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(12.93,9,;12.93,10.54,;14.26,11.31,;14.26,12.85,;12.93,13.62,;11.59,12.85,;11.59,11.31,;10.26,10.54,;10.26,9,;11.59,8.23,;8.92,8.23,;7.59,9,;6.13,8.53,;5.22,9.77,;6.13,11.02,;7.59,10.54,;8.92,11.31,;8.92,12.85,;15.59,10.54,;15.59,9,;14.26,8.23,;16.93,8.23,;18.26,9,;19.59,8.23,;20.93,9,;19.59,6.69,;18.26,10.54,;19.41,11.57,;18.78,12.98,;19.41,14.39,;18.5,15.63,;16.97,15.47,;16.34,14.07,;17.25,12.82,;16.93,11.31,;19.13,17.04,;19.75,18.45,;17.72,17.67,;20.53,16.41,)|
Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.03,,;1.7,-.77,;.37,,;-.97,-.77,;-.97,-2.31,;.37,-3.08,;1.7,-2.31,;3.03,-3.08,;3.03,-4.62,;1.7,-5.39,;4.37,-5.39,;5.7,-4.62,;7.03,-5.39,;7.03,-6.93,;8.37,-4.62,;8.37,-3.08,;7.03,-2.31,;5.7,-3.08,;4.37,-2.31,;4.37,-.77,;.37,1.54,;1.7,2.31,;3.03,1.54,;1.7,3.85,;.37,4.62,;.37,6.16,;1.7,6.93,;-.97,6.93,;-.97,3.85,;-2.43,4.33,;-3.34,3.08,;-4.87,2.92,;-5.49,1.51,;-4.59,.27,;-3.06,.43,;-2.43,1.83,;-.97,2.31,;-7.03,1.51,;-8.37,.74,;-6.64,.02,;-7.8,2.85,)|
Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(1.33,8.47,;1.33,6.93,;,6.16,;,4.62,;1.33,3.85,;2.67,4.62,;2.67,6.16,;4,6.93,;4,8.47,;2.67,9.24,;5.33,9.24,;6.67,8.47,;8,9.24,;8,10.78,;9.34,8.47,;9.34,6.93,;8,6.16,;6.67,6.93,;5.33,6.16,;5.33,4.62,;-1.33,6.93,;-1.33,8.47,;,9.24,;-2.67,9.24,;-4,8.47,;-5.33,9.24,;-6.67,8.47,;-5.33,10.78,;-4,6.93,;-5.15,5.9,;-4.52,4.49,;-5.15,3.09,;-4.24,1.84,;-2.71,2,;-2.08,3.41,;-2.99,4.65,;-2.67,6.16,;-4.87,.43,;-5.49,-.97,;-3.46,-.19,;-6.27,1.06,)|
Cn1c2ccccc2c(=O)n(-c2cccc(c2Cl)-c2c(Cl)cc(C(N)=O)c3[nH]c4cc(ccc4c23)C(C)(C)O)c1=O |(4.37,-6.93,;4.37,-5.39,;5.7,-4.62,;7.03,-5.39,;8.37,-4.62,;8.37,-3.08,;7.03,-2.31,;5.7,-3.08,;4.37,-2.31,;4.37,-.77,;3.03,-3.08,;1.7,-2.31,;.37,-3.08,;-.97,-2.31,;-.97,-.77,;.37,,;1.7,-.77,;3.03,,;.37,1.54,;1.7,2.31,;3.03,1.54,;1.7,3.85,;.37,4.62,;.37,6.16,;1.7,6.93,;-.97,6.93,;-.97,3.85,;-2.43,4.33,;-3.34,3.08,;-4.87,2.92,;-5.49,1.51,;-4.59,.27,;-3.06,.43,;-2.43,1.83,;-.97,2.31,;-7.03,1.51,;-8.37,.74,;-6.64,.02,;-7.8,2.85,;3.03,-4.62,;1.7,-5.39,)|
Cn1c2c(F)cccc2c(=O)n(-c2cccc(c2Cl)-c2c(Cl)cc(C(N)=O)c3[nH]c4cc(ccc4c23)C(C)(C)O)c1=O |(4.37,-6.93,;4.37,-5.39,;5.7,-4.62,;7.03,-5.39,;7.03,-6.93,;8.37,-4.62,;8.37,-3.08,;7.03,-2.31,;5.7,-3.08,;4.37,-2.31,;4.37,-.77,;3.03,-3.08,;1.7,-2.31,;.37,-3.08,;-.97,-2.31,;-.97,-.77,;.37,,;1.7,-.77,;3.03,,;.37,1.54,;1.7,2.31,;3.03,1.54,;1.7,3.85,;.37,4.62,;.37,6.16,;1.7,6.93,;-.97,6.93,;-.97,3.85,;-2.43,4.33,;-3.34,3.08,;-4.87,2.92,;-5.49,1.51,;-4.59,.27,;-3.06,.43,;-2.43,1.83,;-.97,2.31,;-7.03,1.51,;-8.37,.74,;-6.64,.02,;-7.8,2.85,;3.03,-4.62,;1.7,-5.39,)|
Cn1c2c(F)cccc2c(=O)n(-c2cccc(c2Cl)-c2c(F)cc(C(N)=O)c3[nH]c4cc(ccc4c23)C(C)(C)O)c1=O |(4.37,-6.93,;4.37,-5.39,;5.7,-4.62,;7.03,-5.39,;7.03,-6.93,;8.37,-4.62,;8.37,-3.08,;7.03,-2.31,;5.7,-3.08,;4.37,-2.31,;4.37,-.77,;3.03,-3.08,;1.7,-2.31,;.37,-3.08,;-.97,-2.31,;-.97,-.77,;.37,,;1.7,-.77,;3.03,,;.37,1.54,;1.7,2.31,;3.03,1.54,;1.7,3.85,;.37,4.62,;.37,6.16,;1.7,6.93,;-.97,6.93,;-.97,3.85,;-2.43,4.33,;-3.34,3.08,;-4.87,2.92,;-5.49,1.51,;-4.59,.27,;-3.06,.43,;-2.43,1.83,;-.97,2.31,;-7.03,1.51,;-8.37,.74,;-6.64,.02,;-7.8,2.85,;3.03,-4.62,;1.7,-5.39,)|
CC(C)(O)c1ccc2c(c1)[nH]c1c(cc(Cl)c(-c3cccc(c3Cl)-n3c(=O)[nH]c4c(F)cccc4c3=O)c21)C(N)=O |(-8.37,.74,;-7.03,1.51,;-6.64,.02,;-7.8,2.85,;-5.49,1.51,;-4.59,.27,;-3.06,.43,;-2.43,1.83,;-3.34,3.08,;-4.87,2.92,;-2.43,4.33,;-.97,3.85,;.37,4.62,;1.7,3.85,;1.7,2.31,;3.03,1.54,;.37,1.54,;.37,,;-.97,-.77,;-.97,-2.31,;.37,-3.08,;1.7,-2.31,;1.7,-.77,;3.03,,;3.03,-3.08,;3.03,-4.62,;1.7,-5.39,;4.37,-5.39,;5.7,-4.62,;7.03,-5.39,;7.03,-6.93,;8.37,-4.62,;8.37,-3.08,;7.03,-2.31,;5.7,-3.08,;4.37,-2.31,;4.37,-.77,;-.97,2.31,;.37,6.16,;1.7,6.93,;-.97,6.93,)|
Cc1c(cccc1-n1c(=O)[nH]c2c(F)cc(F)cc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.22,,;.88,-.77,;-.45,,;-1.78,-.77,;-1.78,-2.31,;-.45,-3.08,;.88,-2.31,;2.22,-3.08,;2.22,-4.62,;.88,-5.39,;3.55,-5.39,;4.89,-4.62,;6.22,-5.39,;6.22,-6.93,;7.55,-4.62,;7.55,-3.08,;8.89,-2.31,;6.22,-2.31,;4.89,-3.08,;3.55,-2.31,;3.55,-.77,;-.45,1.54,;.88,2.31,;2.22,1.54,;.88,3.85,;-.45,4.62,;-.45,6.16,;.88,6.93,;-1.78,6.93,;-1.78,3.85,;-3.25,4.33,;-4.15,3.08,;-5.68,2.92,;-6.31,1.51,;-5.41,.27,;-3.87,.43,;-3.25,1.83,;-1.78,2.31,;-7.8,1.11,;-7.4,-.37,;-8.89,.02,;-8.89,2.2,)|
Cc1c(cccc1-n1c(=O)[nH]c2c(F)cc(F)cc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.22,,;.88,-.77,;-.45,,;-1.78,-.77,;-1.78,-2.31,;-.45,-3.08,;.88,-2.31,;2.22,-3.08,;2.22,-4.62,;.88,-5.39,;3.55,-5.39,;4.89,-4.62,;6.22,-5.39,;6.22,-6.93,;7.55,-4.62,;7.55,-3.08,;8.89,-2.31,;6.22,-2.31,;4.89,-3.08,;3.55,-2.31,;3.55,-.77,;-.45,1.54,;.88,2.31,;2.22,1.54,;.88,3.85,;-.45,4.62,;-.45,6.16,;.88,6.93,;-1.78,6.93,;-1.78,3.85,;-3.25,4.33,;-4.15,3.08,;-5.68,2.92,;-6.31,1.51,;-5.41,.27,;-3.87,.43,;-3.25,1.83,;-1.78,2.31,;-7.8,1.11,;-7.4,-.37,;-8.89,.02,;-8.89,2.2,)|
Cc1c(cccc1-n1c(=O)[nH]c2cc(F)ccc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.22,-.77,;.88,-1.54,;-.45,-.77,;-1.78,-1.54,;-1.78,-3.08,;-.45,-3.85,;.88,-3.08,;2.22,-3.85,;2.22,-5.39,;.88,-6.16,;3.55,-6.16,;4.89,-5.39,;6.22,-6.16,;7.55,-5.39,;8.89,-6.16,;7.55,-3.85,;6.22,-3.08,;4.89,-3.85,;3.55,-3.08,;3.55,-1.54,;-.45,.77,;.88,1.54,;2.22,.77,;.88,3.08,;-.45,3.85,;-.45,5.39,;.88,6.16,;-1.78,6.16,;-1.78,3.08,;-3.25,3.56,;-4.15,2.31,;-5.68,2.15,;-6.31,.74,;-5.41,-.5,;-3.87,-.34,;-3.25,1.06,;-1.78,1.54,;-7.8,.34,;-7.4,-1.14,;-8.89,-.75,;-8.89,1.43,)|
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.89,.77,;1.55,,;.22,.77,;-1.12,,;-1.12,-1.54,;.22,-2.31,;1.55,-1.54,;2.89,-2.31,;2.89,-3.85,;1.55,-4.62,;4.22,-4.62,;4.22,-6.16,;5.55,-3.85,;6.89,-4.62,;6.89,-6.16,;8.22,-3.85,;8.22,-2.31,;6.89,-1.54,;5.55,-2.31,;4.22,-1.54,;4.22,,;.22,2.31,;1.55,3.08,;2.89,2.31,;1.55,4.62,;.22,5.39,;.22,6.93,;1.55,7.7,;-1.12,7.7,;-1.12,4.62,;-2.58,5.1,;-3.49,3.85,;-5.02,3.69,;-5.64,2.28,;-4.74,1.04,;-3.21,1.2,;-2.58,2.6,;-1.12,3.08,;-7.13,1.88,;-6.73,.4,;-8.22,.79,;-8.22,2.97,)|
Cc1c(cccc1-n1c(=O)[nH]c2c(Cl)cccc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.89,,;1.55,-.77,;.22,,;-1.12,-.77,;-1.12,-2.31,;.22,-3.08,;1.55,-2.31,;2.89,-3.08,;2.89,-4.62,;1.55,-5.39,;4.22,-5.39,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;.22,1.54,;1.55,2.31,;2.89,1.54,;1.55,3.85,;.22,4.62,;.22,6.16,;1.55,6.93,;-1.12,6.93,;-1.12,3.85,;-2.58,4.33,;-3.49,3.08,;-5.02,2.92,;-5.64,1.51,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-1.12,2.31,;-7.13,1.11,;-6.73,-.37,;-8.22,.02,;-8.22,2.2,)|
Cc1c(cccc1-n1c(=O)[nH]c2c(F)cccc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3C[C@H](CCc3c12)C(C)(C)O |r,wD:32.42,(2.89,,;1.55,-.77,;.22,,;-1.12,-.77,;-1.12,-2.31,;.22,-3.08,;1.55,-2.31,;2.89,-3.08,;2.89,-4.62,;1.55,-5.39,;4.22,-5.39,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;.22,1.54,;1.55,2.31,;2.89,1.54,;1.55,3.85,;.22,4.62,;.22,6.16,;1.55,6.93,;-1.12,6.93,;-1.12,3.85,;-2.58,4.33,;-3.49,3.08,;-5.02,2.92,;-5.64,1.51,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-1.12,2.31,;-7.13,1.11,;-6.73,-.37,;-8.22,.02,;-8.22,2.2,)|
Cc1c(cccc1-n1c(=O)[nH]c2c(F)cc(F)cc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3C[C@H](CCc3c12)C(C)(C)O |r,wD:33.43,(2.22,,;.88,-.77,;-.45,,;-1.78,-.77,;-1.78,-2.31,;-.45,-3.08,;.88,-2.31,;2.22,-3.08,;2.22,-4.62,;.88,-5.39,;3.55,-5.39,;4.89,-4.62,;6.22,-5.39,;6.22,-6.93,;7.55,-4.62,;7.55,-3.08,;8.89,-2.31,;6.22,-2.31,;4.89,-3.08,;3.55,-2.31,;3.55,-.77,;-.45,1.54,;.88,2.31,;2.22,1.54,;.88,3.85,;-.45,4.62,;-.45,6.16,;.88,6.93,;-1.78,6.93,;-1.78,3.85,;-3.25,4.33,;-4.15,3.08,;-5.68,2.92,;-6.31,1.51,;-5.41,.27,;-3.87,.43,;-3.25,1.83,;-1.78,2.31,;-7.8,1.11,;-7.4,-.37,;-8.89,.02,;-8.89,2.2,)|
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cc(F)cc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3C[C@H](CCc3c12)C(C)(C)O |r,wD:34.44,(2.22,,;.88,-.77,;-.45,,;-1.78,-.77,;-1.78,-2.31,;-.45,-3.08,;.88,-2.31,;2.22,-3.08,;2.22,-4.62,;.88,-5.39,;3.55,-5.39,;3.55,-6.93,;4.89,-4.62,;6.22,-5.39,;6.22,-6.93,;7.55,-4.62,;7.55,-3.08,;8.89,-2.31,;6.22,-2.31,;4.89,-3.08,;3.55,-2.31,;3.55,-.77,;-.45,1.54,;.88,2.31,;2.22,1.54,;.88,3.85,;-.45,4.62,;-.45,6.16,;.88,6.93,;-1.78,6.93,;-1.78,3.85,;-3.25,4.33,;-4.15,3.08,;-5.68,2.92,;-6.31,1.51,;-5.41,.27,;-3.87,.43,;-3.25,1.83,;-1.78,2.31,;-7.8,1.11,;-7.4,-.37,;-8.89,.02,;-8.89,2.2,)|
Cc1c(cccc1-n1c(=O)[nH]c2c(F)cccc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3C[C@H](CCc3c12)C(C)(C)O |r,wD:32.42,(2.89,,;1.55,-.77,;.22,,;-1.12,-.77,;-1.12,-2.31,;.22,-3.08,;1.55,-2.31,;2.89,-3.08,;2.89,-4.62,;1.55,-5.39,;4.22,-5.39,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;.22,1.54,;1.55,2.31,;2.89,1.54,;1.55,3.85,;.22,4.62,;.22,6.16,;1.55,6.93,;-1.12,6.93,;-1.12,3.85,;-2.58,4.33,;-3.49,3.08,;-5.02,2.92,;-5.64,1.51,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-1.12,2.31,;-7.13,1.11,;-6.73,-.37,;-8.22,.02,;-8.22,2.2,)|
Cn1c2c(F)cccc2c(=O)n(-c2cccc(c2Cl)-c2c(F)cc(C(N)=O)c3[nH]c4cc(ccc4c23)C(C)(C)O)c1=O |(4.22,-6.93,;4.22,-5.39,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;2.89,-3.08,;1.55,-2.31,;.22,-3.08,;-1.12,-2.31,;-1.12,-.77,;.22,,;1.55,-.77,;2.89,,;.22,1.54,;1.55,2.31,;2.89,1.54,;1.55,3.85,;.22,4.62,;.22,6.16,;1.55,6.93,;-1.12,6.93,;-1.12,3.85,;-2.58,4.33,;-3.49,3.08,;-5.02,2.92,;-5.64,1.51,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-1.12,2.31,;-7.13,1.11,;-6.73,-.37,;-8.22,.02,;-8.22,2.2,;2.89,-4.62,;1.55,-5.39,)|
Cc1c(cccc1-n1c(=O)[nH]c2c(Cl)cccc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3C[C@H](CCc3c12)C(C)(C)O |r,wD:32.42,(2.89,,;1.55,-.77,;.22,,;-1.12,-.77,;-1.12,-2.31,;.22,-3.08,;1.55,-2.31,;2.89,-3.08,;2.89,-4.62,;1.55,-5.39,;4.22,-5.39,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;.22,1.54,;1.55,2.31,;2.89,1.54,;1.55,3.85,;.22,4.62,;.22,6.16,;1.55,6.93,;-1.12,6.93,;-1.12,3.85,;-2.58,4.33,;-3.49,3.08,;-5.02,2.92,;-5.64,1.51,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-1.12,2.31,;-7.13,1.11,;-6.73,-.37,;-8.22,.02,;-8.22,2.2,)|
Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3C[C@H](CCc3c12)C(C)(C)O |r,wD:32.42,(2.89,,;1.55,-.77,;.22,,;-1.12,-.77,;-1.12,-2.31,;.22,-3.08,;1.55,-2.31,;2.89,-3.08,;2.89,-4.62,;1.55,-5.39,;4.22,-5.39,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;.22,1.54,;1.55,2.31,;2.89,1.54,;1.55,3.85,;.22,4.62,;.22,6.16,;1.55,6.93,;-1.12,6.93,;-1.12,3.85,;-2.58,4.33,;-3.49,3.08,;-5.02,2.92,;-5.64,1.51,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-1.12,2.31,;-7.13,1.11,;-6.73,-.37,;-8.22,.02,;-8.22,2.2,)|
Cc1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1-c1cccc(c1Cl)-n1c(=O)[nH]c2c(F)cccc2c1=O)C(C)(C)O |(2.89,1.54,;1.55,2.31,;1.55,3.85,;.22,4.62,;.22,6.16,;1.55,6.93,;-1.12,6.93,;-1.12,3.85,;-2.58,4.33,;-3.49,3.08,;-5.02,2.92,;-5.64,1.51,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-1.12,2.31,;.22,1.54,;.22,,;-1.12,-.77,;-1.12,-2.31,;.22,-3.08,;1.55,-2.31,;1.55,-.77,;2.89,,;2.89,-3.08,;2.89,-4.62,;1.55,-5.39,;4.22,-5.39,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;-7.13,1.11,;-6.73,-.37,;-8.22,.02,;-8.22,2.2,)|
Cc1c(cccc1-n1c(=O)[nH]c2c(F)cccc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3C[C@@H](CCc3c12)C(C)(C)O |r,wU:32.42,(2.89,,;1.55,-.77,;.22,,;-1.12,-.77,;-1.12,-2.31,;.22,-3.08,;1.55,-2.31,;2.89,-3.08,;2.89,-4.62,;1.55,-5.39,;4.22,-5.39,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;.22,1.54,;1.55,2.31,;2.89,1.54,;1.55,3.85,;.22,4.62,;.22,6.16,;1.55,6.93,;-1.12,6.93,;-1.12,3.85,;-2.58,4.33,;-3.49,3.08,;-5.02,2.92,;-5.64,1.51,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-1.12,2.31,;-7.13,1.11,;-6.73,-.37,;-8.22,.02,;-8.22,2.2,)|
Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3C[C@H](CCc3c12)C(C)(C)O |r,wD:32.42,(2.89,,;1.55,-.77,;.22,,;-1.12,-.77,;-1.12,-2.31,;.22,-3.08,;1.55,-2.31,;2.89,-3.08,;2.89,-4.62,;1.55,-5.39,;4.22,-5.39,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;.22,1.54,;1.55,2.31,;2.89,1.54,;1.55,3.85,;.22,4.62,;.22,6.16,;1.55,6.93,;-1.12,6.93,;-1.12,3.85,;-2.58,4.33,;-3.49,3.08,;-5.02,2.92,;-5.64,1.51,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-1.12,2.31,;-7.13,1.11,;-6.73,-.37,;-8.22,.02,;-8.22,2.2,)|
Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(CCO)ccc3c12 |(3.63,,;2.3,-.77,;.96,,;-.37,-.77,;-.37,-2.31,;.96,-3.08,;2.3,-2.31,;3.63,-3.08,;3.63,-4.62,;2.3,-5.39,;4.96,-5.39,;6.3,-4.62,;7.63,-5.39,;7.63,-6.93,;8.96,-4.62,;8.96,-3.08,;7.63,-2.31,;6.3,-3.08,;4.96,-2.31,;4.96,-.77,;.96,1.54,;2.3,2.31,;3.63,1.54,;2.3,3.85,;.96,4.62,;.96,6.16,;2.3,6.93,;-.37,6.93,;-.37,3.85,;-1.84,4.33,;-2.74,3.08,;-4.27,2.92,;-4.9,1.51,;-6.39,1.11,;-7.48,2.2,;-8.96,1.8,;-3.99,.27,;-2.46,.43,;-1.84,1.83,;-.37,2.31,)|
Cc1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1-c1cccc(c1C)-n1c(=O)cc2c(Cl)cccn2c1=O)C(C)(C)O |(2.89,1.54,;1.55,2.31,;1.55,3.85,;.22,4.62,;.22,6.16,;1.55,6.93,;-1.12,6.93,;-1.12,3.85,;-2.58,4.33,;-3.49,3.08,;-5.02,2.92,;-5.64,1.51,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-1.12,2.31,;.22,1.54,;.22,,;-1.12,-.77,;-1.12,-2.31,;.22,-3.08,;1.55,-2.31,;1.55,-.77,;2.89,,;2.89,-3.08,;2.89,-4.62,;1.55,-5.39,;4.22,-5.39,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;-7.13,1.11,;-6.73,-.37,;-8.22,.02,;-8.22,2.2,)|
Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)C#N |(2.89,,;1.55,-.77,;.22,,;-1.12,-.77,;-1.12,-2.31,;.22,-3.08,;1.55,-2.31,;2.89,-3.08,;2.89,-4.62,;1.55,-5.39,;4.22,-5.39,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;.22,1.54,;1.55,2.31,;1.55,3.85,;.22,4.62,;.22,6.16,;1.55,6.93,;-1.12,6.93,;-1.12,3.85,;-2.58,4.33,;-3.49,3.08,;-5.02,2.92,;-5.64,1.51,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-1.12,2.31,;-7.13,1.11,;-6.73,-.37,;-8.22,.02,;-8.22,2.2,;2.89,1.54,;4.22,.77,)|
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.89,,;1.55,-.77,;.22,,;-1.12,-.77,;-1.12,-2.31,;.22,-3.08,;1.55,-2.31,;2.89,-3.08,;2.89,-4.62,;1.55,-5.39,;4.22,-5.39,;4.22,-6.93,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;.22,1.54,;1.55,2.31,;2.89,1.54,;1.55,3.85,;.22,4.62,;.22,6.16,;1.55,6.93,;-1.12,6.93,;-1.12,3.85,;-2.58,4.33,;-3.49,3.08,;-5.02,2.92,;-5.64,1.51,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-1.12,2.31,;-7.13,1.11,;-6.73,-.37,;-8.22,.02,;-8.22,2.2,)|
Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Cc1nc(C(N)=O)c2[nH]c3cc(ccc3c2c1-c1cccc(c1C)-n1cnc2ccccc2c1=O)C(C)(C)O |(3.34,1.54,;1.8,1.54,;1.8,3.08,;.47,3.85,;.47,5.39,;1.8,6.16,;-.86,6.16,;-.86,3.08,;-2.33,3.56,;-3.23,2.31,;-4.77,2.15,;-5.39,.74,;-4.49,-.5,;-2.95,-.34,;-2.33,1.06,;-.86,1.54,;.47,.77,;.47,-.77,;-.86,-1.54,;-.86,-3.08,;.47,-3.85,;1.8,-3.08,;1.8,-1.54,;3.14,-.77,;3.14,-3.85,;3.14,-5.39,;4.47,-6.16,;5.8,-5.39,;7.14,-6.16,;8.47,-5.39,;8.47,-3.85,;7.14,-3.08,;5.8,-3.85,;4.47,-3.08,;4.47,-1.54,;-6.93,.74,;-7.7,-.59,;-8.47,.74,;-7.7,2.08,)|
CCOc1cc2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2cc1NC(=O)\C=C\CN(C)C
CN(C)C\C=C\C(=O)Nc1ccc2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1
NC(=O)c1nc(sc1Nc1ccccn1)N1CCC[C@H](C1)NC(=O)N1Cc2ccccc2C1 |r|
NC(=O)c1nc(sc1Nc1ccccn1)N1CCC[C@H](C1)NC(=O)N1Cc2ccc(Cl)cc2C1 |r|
CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)c1nc(C(N)=O)c(Nc2ccccn2)s1 |r|
CC(C)(C)c1ccc(cn1)C(=O)N[C@@H]1CCCN(C1)c1nc(C(N)=O)c(Nc2ccccn2)s1 |r|
NC(=O)c1nc(sc1Nc1ccccn1)N1CCC[C@H](C1)NC(=O)Cc1ccccc1 |r|
Cc1cccc(CC(=O)N[C@@H]2CCCN(C2)c2nc(C(N)=O)c(Nc3ccccn3)s2)c1 |r|
CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nc(C(N)=O)c(Nc2ccccn2)s1 |r|
CS(=O)(=O)N[C@@H]1CCCN(C1)c1nc(C(N)=O)c(Nc2ccccn2)s1 |r|
NC(=O)c1nc(sc1Nc1ccccn1)N1CCC[C@H](C1)NS(=O)(=O)c1ccccc1 |r|
CC(C)S(=O)(=O)N[C@@H]1CCCN(C1)c1nc(C(N)=O)c(Nc2ccccn2)s1 |r|
NC(=O)c1nc(sc1Nc1ccccn1)N1CCC[C@H](C1)NC(=O)CNc1cccc(Cl)c1 |r|
CC(=O)N[C@@H]1CCCN(C1)c1nc(C(N)=O)c(Nc2ccccn2)s1 |r|
Cn1ncc2c1CCCC2(O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Cn1ncc2c1CCC[C@@]2(O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Cn1ncc2c1CCC[C@]2(O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCn1ncc2c1CCCC2(O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCc2[nH]ncc12 |r|
Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CCCc2[nH]ncc12 |r|
Cn1ncc2[C@@H](CCCc12)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
Cn1cc2[C@@H](CCCc2n1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
Cn1ncc2[C@H](CCCc12)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
Cn1cc2[C@H](CCCc2n1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
CCn1ncc2[C@@H](CCCc12)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
CCn1cc2[C@@H](CCCc2n1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
CCn1ncc2[C@H](CCCc12)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
CCn1cc2[C@H](CCCc2n1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCc2c1cnn2CCO |r|
Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCc2nn(CCO)cc12 |r|
Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CCCc2c1cnn2CCO |r|
Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CCCc2nn(CCO)cc12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCn2c(nnc12)C1CC1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CCCn2c(nnc12)C1CC1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CCn2c(C1)nnc2C(F)(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCn2c(C1)nnc2C(F)(F)F |r|
Cn1ncc2[C@@H](CCCc12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Cn1ncc2[C@H](CCCc12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC(C)Oc1ccnc(NC(=O)c2ccc(cc2)-c2nc(N3CCn4c(C3)nnc4C(F)(F)F)n3ccnc(N)c23)c1
CC(C)(C)c1cc(F)c2c(cnn(Cc3ccc(cc3)-c3cc[nH]c(=O)c3)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(Cc3ccc(cc3F)-c3cc[nH]c(=O)c3)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc[nH]c(=O)c4)c3CO)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(Cc3c(F)cc(cc3F)-c3cc[nH]c(=O)c3)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(Cc3ccc(cc3CO)-c3cc[nH]c(=O)c3)c2=O)c1
Cn1cc(cn1)-c1cc(cc(=O)[nH]1)-c1ccc(Cn2ncc3cc(cc(F)c3c2=O)C(C)(C)C)c(F)c1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc[nH]c(=O)c1
CC(C)(C)c1cc(F)c2c(cnn(Cc3ccc(c(CO)c3)-c3cc[nH]c(=O)c3)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(Cc3cc(CO)c(cc3F)-c3cc[nH]c(=O)c3)c2=O)c1
Cn1cc(cn1)-c1cc(cc(=O)[nH]1)-c1ccc(CN2Cc3cc(sc3C2=O)C(C)(C)C)c(F)c1
Nc1cccc(c1)-c1ccnc2c(C#N)c(nn12)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC(c3cccc(N)c3)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCC[C@H](c3cccc(N)c3)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c2NCC[C@@H](c3cccc(N)c3)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c2NCCC(c3cccc(NC(=O)C=C)c3)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCC[C@H](c3cccc(NC(=O)C=C)c3)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c2NCC[C@@H](c3cccc(NC(=O)C=C)c3)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
CCC(=O)Nc1cccc(c1)C1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC(c3ccccc3N)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCC[C@H](c3ccccc3NC(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c2NCC[C@@H](c3ccccc3NC(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c(nn2c(ccnc12)-c1cccc(N)c1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c(ccnc12)-c1cccc(NC(=O)C=C)c1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC(c3ccccc3N)n2nc1-c1ccc(OCc2ccccc2)cc1
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCc2ccccc2)cc1
NC(=O)c1c2NCC[C@H](c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCc2ccccc2)cc1 |r|
NC(=O)c1c2NCC[C@@H](c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCc2ccccc2)cc1 |r|
NC(=O)c1c2NCCC(c3ccccc3N)n2nc1-c1ccc(Oc2ccc(F)cc2)cc1
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(Oc2ccc(F)cc2)cc1
CNc1ccccc1C1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1
CN(C(=O)C=C)c1ccccc1C1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1
CNc1ccccc1C1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccc(F)cc2)cc1
CN(C(=O)C=C)c1ccccc1C1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccc(F)cc2)cc1
NC(=O)c1c2NCCC(c3ccccc3N)n2nc1-c1ccc(OC2CCCC2)cc1
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OC2CCCC2)cc1
NC(=O)c1c2NCCC(c3ccccc3N)n2nc1-c1ccc(OCC2CC2)cc1
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCC2CC2)cc1
NC(=O)c1c2NCC[C@H](c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCC2CC2)cc1 |r|
NC(=O)c1c2NCC[C@@H](c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCC2CC2)cc1 |r|
COCCOc1ccc(cc1)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1N
COCCOc1ccc(cc1)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C
NC(=O)c1c2NCCC(c3ccccc3N)n2nc1-c1ccc(OC2CCOCC2)cc1
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OC2CCOCC2)cc1
CC(C)(C)OC(=O)N1CCC(CC1)C1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC(C3CCNCC3)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC(C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCC[C@H](C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c2NCCC(C3CNC3)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC(C3CN(C3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCC[C@H](C3CN(C3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c2NCC[C@@H](C3CN(C3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c2NCC3CN(CCC3n2nc1-c1ccc(Oc2ccccc2)cc1)C(=O)C=C
NC(=O)c1c2NC[C@@H]3CN(CC[C@H]3n2nc1-c1ccc(Oc2ccccc2)cc1)C(=O)C=C |r|
NC(=O)c1c2NC[C@H]3CN(CC[C@@H]3n2nc1-c1ccc(Oc2ccccc2)cc1)C(=O)C=C |r|
NC(=O)c1c2N[C@@H]3CCN(C[C@@H]3Cn2nc1-c1ccc(Oc2ccccc2)cc1)C(=O)C=C |r|
NCC1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC(CNC(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCC[C@H](CNC(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c2NCC[C@@H](CNC(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
CNCC1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1
CN(CC1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1)C(=O)C=C
NCC1CCNc2c(C(N)=O)c(nn12)-c1cnn(Cc2ccccc2)c1
NC(=O)c1c2NCCC(CNC(=O)C=C)n2nc1-c1cnn(Cc2ccccc2)c1
NC(=O)c1c2NCC3(CCN(Cc4ccccc4)CC3)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCC3(CCNCC3)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCC3(CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC3(CCN(Cc4ccccc4)CC3)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC3(CCNCC3)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC3(CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCC3(CN(Cc4ccccc4)C3)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCC3(CNC3)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCC3(CN(C3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2cc([nH]c12)-c1cccc(N)c1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2cc([nH]c12)-c1cccc(NC(=O)C=C)c1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c(c[nH]c12)-c1cccc(N)c1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c(c[nH]c12)-c1cccc(NC(=O)C=C)c1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c3CNCCc3[nH]c12)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c3CN(CCc3[nH]c12)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c3CN(CCc3[nH]c12)C(=O)CCCl)-c1ccc(Oc2ccccc2)cc1
CN(C)C\C=C\C(=O)N1CCc2[nH]c3c(C(N)=O)c(nn3c2C1)-c1ccc(Oc2ccccc2)cc1
CC(=O)N1CCc2[nH]c3c(C(N)=O)c(nn3c2C1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c3CN(CCc3[nH]c12)C(=O)CC#N)-c1ccc(Oc2ccccc2)cc1
CN(C)CCC(=O)N1CCc2[nH]c3c(C(N)=O)c(nn3c2C1)-c1ccc(Oc2ccccc2)cc1
CC=CC(=O)N1CCc2[nH]c3c(C(N)=O)c(nn3c2C1)-c1ccc(Oc2ccccc2)cc1 |w:1.0|
NC(=O)c1c(nn2c3CN(C\C=C/C#N)CCc3[nH]c12)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c3CN(C\C=C\C#N)CCc3[nH]c12)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c3ccncc3[nH]c12)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c3CCNCc3[nH]c12)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c3CCN(Cc3[nH]c12)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
CN(C)C\C=C\C(=O)N1CCc2c(C1)[nH]c1c(C(N)=O)c(nn21)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c1[nH]c1ccc(cc21)[N+]([O-])=O)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c1[nH]c1ccc(N)cc21)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c3cc(NC(=O)C=C)ccc3[nH]c12)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCc3ccc(N)cc3-n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCc3ccc(NC(=O)C=C)cc3-n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCc3cc(ccc3-n2nc1-c1ccc(Oc2ccccc2)cc1)[N+]([O-])=O
NC(=O)c1c2NCCc3cc(N)ccc3-n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2CCCc3cc(NC(=O)C=C)ccc3-n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NC(=O)Cc3cc(ccc3-n2nc1-c1ccc(Oc2ccccc2)cc1)[N+]([O-])=O
NC(=O)c1c2NC(=O)Cc3cc(N)ccc3-n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NC(=O)Cc3cc(NC(=O)C=C)ccc3-n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c1[nH]c(=O)c1cc(ccc21)[N+]([O-])=O)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c1[nH]c(=O)c1cc(N)ccc21)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c1[nH]c(=O)c1cc(NC(=O)C=C)ccc21)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c1[nH]c(=O)c1ccc(N)cc21)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c(cc(=O)[nH]c12)C1CCNCC1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c(cc(=O)[nH]c12)C1CCN(CC1)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NC(=O)C3(CCNCC3)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NC(=O)C3(CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1
NC1CNc2c(C(N)=O)c(nn2C1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCC(Cn2nc1-c1ccc(Oc2ccccc2)cc1)NC(=O)C=C
NC(=O)c1c2NCC(CNC(=O)C=C)Cn2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCC3(CNC3)Cn2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCC3(CN(C3)C(=O)C=C)Cn2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCC(Cn2nc1-c1ccc(Oc2ccccc2)cc1)c1ccccc1N
NC(=O)c1c2NCC(Cn2nc1-c1ccc(Oc2ccccc2)cc1)c1cccc(N)c1
CN(C)CCOc1cccc(c1)C1CNc2c(C(N)=O)c(nn2C1)-c1ccc(Oc2ccccc2)cc1
CN(C)C\C=C\C(=O)Nc1ccccc1C1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1
COc1ccc(cc1)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1N
COc1ccc(cc1)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C
NC(=O)c1c2NCCC(c3cc(N)ccc3Cl)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC(c3cc(NC(=O)C=C)ccc3Cl)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC(c3ccc(Cl)c(NC(=O)C=C)c3)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC(c3ccc(N)cc3)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC(c3ccc(NC(=O)C=C)cc3)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC(c3ccncc3)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC(c3cccnc3)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC(c3ccccn3)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC(C3CCCN3C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC(C3CN(C3)C(=O)C=C)n2nc1-c1ccc(OCc2ccccc2)cc1
NC(=O)c1c2NCCC(C3CN(C3)C(=O)C=C)n2nc1-c1ccc(OCc2ccccn2)cc1
NC(=O)c1c2NCCC(C3CN(C3)C(=O)C=C)n2nc1-c1ccc(Oc2ccc(Cl)cc2)cc1
NC(=O)c1c2NCCC(C3CN(C3)C(=O)C=C)n2nc1-c1ccc(Oc2cccc(Cl)c2)cc1
NC(=O)c1c2NCCC(n2nc1-c1ccc(Oc2ccccc2)cc1)C1(CC1)NC(=O)C=C
CC(C)(NC(=O)C=C)C1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1
NCC1CCNc2c(C(N)=O)c(nn12)-c1ccc(OCc2ccccc2)cc1
NC(=O)c1c2NCCC(CNC(=O)C=C)n2nc1-c1ccc(OCc2ccccc2)cc1
NCC1CCNc2c(C(N)=O)c(nn12)-c1ccc(OCC2CC2)cc1
NC(=O)c1c2NCCC(CNC(=O)C=C)n2nc1-c1ccc(OCC2CC2)cc1
CC(C)(C)OC(=O)N1C[C@@H]2CNc3c(C(N)=O)c(nn3[C@H]2C1)-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c2NC[C@@H]3CNC[C@@H]3n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c2NC[C@@H]3CN(C[C@@H]3n2nc1-c1ccc(Oc2ccccc2)cc1)C(=O)C=C |r|
NC(=O)c1c(nn2cc([nH]c12)C1CCN(C1)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC3(CNC3)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c3CCNCCc3[nH]c12)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c3CCN(CCc3[nH]c12)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
CN(C)C\C=C\C(=O)N1CCc2[nH]c3c(C(N)=O)c(nn3c2CC1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c3CN(CCCc3[nH]c12)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
CN(C)C\C=C\C(=O)N1CCCc2[nH]c3c(C(N)=O)c(nn3c2C1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c3CNCCc3[nH]c12)-c1ccc(OCc2ccccc2)cc1
NC(=O)c1c(nn2c3CN(CCc3[nH]c12)C(=O)C=C)-c1ccc(OCc2ccccc2)cc1
NC(=O)c1c(nn2c3CN(CCc3[nH]c12)C(=O)C=C)-c1ccc(OCC2CC2)cc1
NC(=O)c1c(nn2c1[nH]c1cc(ccc21)[N+]([O-])=O)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c1[nH]c1cc(N)ccc21)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c3ccc(NC(=O)C=C)cc3[nH]c12)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(nn2c1[nH]c1cccc(N)c21)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC(C3CN(C3)C(=O)C=C)n2nc1-c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1
COc1cc(ccc1C)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C
COc1cc(ccc1C)-c1nn2[C@H](CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C |r|
COc1cc(ccc1C)-c1nn2[C@@H](CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C |r|
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(Cl)cc1
NC(=O)c1c2NCC[C@H](c3ccccc3NC(=O)C=C)n2nc1-c1ccc(Cl)cc1 |r|
NC(=O)c1c2NCC[C@@H](c3ccccc3NC(=O)C=C)n2nc1-c1ccc(Cl)cc1 |r|
NC(=O)c1c2NCCC(C3CN(C3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2C#N)cc1
NC(=O)c1c(nn2c(c[nH]c12)C1CCN(CC1)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(F)c(F)c1
CC1(CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1)C1CCN(CC1)C(=O)C=C
NC(=O)c1c2NCCC(C3CN(C3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)c(Cl)c1
COc1cc(ccc1Oc1ccccc1)-c1nn2C(CCNc2c1C(N)=O)C1CN(C1)C(=O)C=C
NC(=O)c1c2NCCC(C3CN(C3)C(=O)C=C)n2nc1-c1ccc(OCCc2ccccc2)cc1
COc1cc(ccc1OCc1ccccc1)-c1nn2C(CNC(=O)C=C)CCNc2c1C(N)=O
CC1(CNC(=O)C=C)CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCCC(C3CCN(CC3)C(=O)C=C)n2nc1-c1ccccc1
NC(=O)c1c2NCCC(C3CN(C3)C(=O)C=C)n2nc1-c1ccc(Cl)cc1
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCc2ccccn2)c(Cl)c1
NC(=O)c1c2NCCC(c3ccc(Cl)cc3NC(=O)C=C)n2nc1-c1ccc(OCC2CC2)cc1
Cc1ccc(C2CCNc3c(C(N)=O)c(nn23)-c2ccc(OCC3CC3)cc2)c(NC(=O)C=C)c1
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OC(F)(F)F)cc1
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccccc1
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(F)cc1
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(F)c(Br)c1
NC(=O)c1c2NCCC(c3ccccc3NC(=O)\C=C\CN3CCCCC3)n2nc1-c1ccc(F)c(Cl)c1
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(Cl)c(F)c1
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1cccc(Cl)c1
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(Cl)c(Cl)c1
Cc1cc(ccc1F)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1cc(F)c(F)c(Cl)c1
COc1cc(ccc1F)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C
COc1cc(ccc1Cl)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(cc1)C(F)(F)F
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(c(Cl)c1)C(F)(F)F
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(Cl)c(c1)C(F)(F)F
Cc1ccc(cc1)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C
COc1cc(ccc1C)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)\C=C\CN(C)C
COc1cccc(c1)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C
COc1cc(cc(OC)c1OC)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C
COc1ccc(cc1OC)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C
COc1c(Cl)cc(cc1Cl)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C
NC(=O)c1c2NCCC(C3CCN(CC3)C(=O)\C=C\CN3CCCCC3)n2nc1-c1ccc(Oc2ccccc2)cc1
CN(C)C\C=C\C(=O)N1CCC(CC1)C1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1
COc1cc(ccc1Oc1ccccc1)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
NC(=O)c1c2NCCC(C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)c(Cl)c1
COc1cc(ccc1C)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
CC1(CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1)C1CN(C1)C(=O)C=C
CC#CC(=O)N1CCC(CC1)[C@@H]1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)CCCl)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)\C=C\CN3CCN(CCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]4C[C@@H]5NC(=O)N[C@@H]5S4)CC3)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
CC#CC(=O)N1CCC(CC1)C1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccc(F)cc2F)cc1
NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)CC#N)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C(=CC3CC3)C#N)n2nc1-c1ccc(Oc2ccccc2)cc1 |r,w:18.19|
NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C#N)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c2NCCC(C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccc(F)cc2F)cc1
CC#CC(=O)N1CC(C1)C1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1
CC#CC(=O)NCC1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1
CCC#CC(=O)N1CCC(CC1)[C@@H]1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C#CCN3CCCC3)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
CN(C)CC#CC(=O)N1CCC(CC1)[C@@H]1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1 |r|
CC#CC(=O)N1CC(C1)C1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccc(F)cc2F)cc1
CC#CC(=O)NCC1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccc(F)cc2F)cc1
NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C#CCO)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
COCC#CC(=O)N1CCC(CC1)[C@@H]1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1 |r|
CCCC#CC(=O)N1CCC(CC1)[C@@H]1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1 |r|
CC#CC(=O)N1CCC(CC1)C1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccc(F)cc2)cc1
CC#CC(=O)N1CCC(CC1)C1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2cccc(Cl)c2)cc1
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(F)c(Cl)c1
CC(C)(C)c1ccc(cc1)C(=O)NC1CCCC(C1)Nc1ncnc2[nH]cnc12
Clc1cccc(CNC(=O)C2CCCC(C2)Nc2ncnc3[nH]cnc23)c1
Cn1cc(Nc2nc(NC3CCCCC3)c3nc[nH]c3n2)cn1
CC1CCCC(C1)Nc1nc(Nc2cnn(C)c2)nc2[nH]cnc12
Cn1cc(Nc2nc(NC3CCCC(C3)NC(=O)c3ccc(cc3)C(C)(C)C)c3nc[nH]c3n2)cn1
O=C(NC1CCCC(C1)Nc1ncnc2[nH]cnc12)c1ccccc1
CC(C)(C)OC(=O)NC1CCCC(C1)C(O)=O
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@H]2COC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@@H]2COC(=O)N2C1 |r|
CN1C[C@@H]2CC[C@H](CN2C1=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(OC4CC4)ccn3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CCC3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Cc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)s1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@H]1CC[C@@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2COC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H]2COC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C#N)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccc(n3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
CC(F)(F)c1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)c(F)c2)c1 |r|
Cc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(C(=O)Nc4cc(ccn4)C(F)(F)F)c(F)c3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
CC(F)(F)c1ccnc(NC(=O)c2ccc(cc2F)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c1 |r|
Nc1nccn2c(nc(-c3ccc(C(=O)Nc4cc(ccn4)C(F)F)c(F)c3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(C(=O)Nc4cc(ccn4)C4CC4)c(F)c3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Cc1cc(ccc1C(=O)Nc1cc(ccn1)C1CC1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3(F)COC3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
CC(C)(F)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c1 |r|
C[C@H]1OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H]1OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r|
C[C@@H]1OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(C(=O)Nc4cc(ccn4)C#N)c(F)c3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C#N |r|
Cc1cc(ccc1C(=O)Nc1cc(ccn1)C#N)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
C[C@@H]1OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C1CC1 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2COCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CNCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H]2CNCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(C(=O)Nc4cc(ccn4)C(F)(F)F)c(Cl)c3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(OC4CC4)ccn3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H]2CCCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCCC(=O)N2C1 |r|
C[C@@H]1OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r|
C[C@H]1OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r|
C[C@@H]1OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H]1OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CN1C[C@@H]2CC[C@H](CN2C(=O)C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CN1C[C@H]2CC[C@@H](CN2C(=O)C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(C)OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3[C@@H](C)OC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C1CC1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@@H]2CNCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2COCCN2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H]2COCCN2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@H]2CNCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H]2C[C@H](O)C(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2C[C@@H](O)C(=O)N2C1 |r|
CNc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
CCNC(=O)Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
C[C@@H]1CC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@@H]1CC(=O)N2C[C@@H](CC[C@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H]1CC(=O)N2C[C@@H](CC[C@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H]1CC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CN(CCO)CC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H]2C[C@@H](O)C(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2C[C@H](O)C(=O)N2C1 |r|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3OCc3ccccc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3OC(F)F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@@H]2CC(O)C(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@H]2C[C@@H](O)C(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@H]2CC(O)C(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@@H]2C[C@H](O)C(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN2[C@@H](COC2=O)CO1 |r|
C[C@H]1OC[C@@H]2CC[C@H](CN2C1=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CC\C(=N/C#N)N2C1 |r|
COC(=O)Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
CCN1C[C@@H]2CC[C@H](CN2C(=O)C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC(C)N1C[C@@H]2CC[C@H](CN2C(=O)C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COC(=O)CN1C[C@@H]2CC[C@H](CN2C(=O)C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CN1CC[C@@H]2CC[C@H](CN2C1=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CN1CC[C@H]2CC[C@@H](CN2C1=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CN(CC(=O)N3C2)C(=O)c2ccncc2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CC(C)(N1C[C@@H]2CC[C@H](CN2C(=O)C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCCN2C1 |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3[C@@H](C)OC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@@H]3N(C2)C(=O)OC3(C)C)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
COc1cc(ccc1-c1nc([C@H]2CN3[C@H](CCC3=O)CO2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCOC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H]2CCOC(=O)N2C1 |r|
CC1(C)C[C@H]2CC[C@@H](CN2C1=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(C)C[C@@H]2CC[C@H](CN2C1=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@@H]1OC(=N)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC(O)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c1 |r|
CC(C)(O)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c1 |r|
COC(C)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c1 |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CC(C)(C)C(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
COc1cc(ccc1-c1nc([C@H]2CC[C@@H]3CC(C)(C)C(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CN(CC(=O)N2C1)C(=O)c1ccncc1 |r|
COC(=O)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(cnn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CN(CC(=O)N2C1)C(=O)c1ccccc1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc4ccccc4cn3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN2[C@H](CCC2=O)CO1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CN(CC(O)=O)CC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2[C@@H](OC(=O)N2C1)C=C |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2[C@H](OC(=O)N2C1)C=C |r|
CN1CC[C@H]2CC[C@H](CN2C1=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3Cl)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CC(C)(C)C(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CC(F)(F)c1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cc(C(=O)Nc2cc(n(C)n2)C(F)(F)F)c(F)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(c(cn3)C#N)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3O)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(nc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Cc1cc(cc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)n1)C(F)(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3OC3CC3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Cc1c(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)nccc1C(F)(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3C#N)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
NC(=O)c1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CC(C)c1cc(cc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)n1)C(F)(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(cc(n3)C3CCC3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3C(O)=O)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
COc1cccc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)n1 |r|
COc1cc(C(=O)Nc2cc(ccn2)C(F)(F)F)c(F)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(n(C)n1)C(F)(F)F |r|
COc1cc(C(=O)Nc2cc(ccn2)C(F)(F)F)c(F)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12 |r|
CCOc1cc(C(=O)Nc2cc(ccn2)C(F)(F)F)c(F)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12 |r|
COc1cc(cc(F)c1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wU:12.12,wD:15.21,(2.36,-.45,;.87,-.84,;-.22,.25,;.18,1.73,;-.91,2.82,;-2.4,2.42,;-2.8,.94,;-4.28,1.33,;-1.71,-.15,;-2.1,-1.64,;-1.2,-2.89,;-2.1,-4.13,;-1.71,-5.62,;-2.8,-6.71,;-2.4,-8.2,;-.91,-8.6,;-.21,-9.97,;1.31,-9.73,;1.55,-8.21,;2.89,-7.44,;.18,-7.51,;-.22,-6.02,;-3.57,-3.66,;-4.9,-4.43,;-6.24,-3.66,;-6.24,-2.12,;-4.9,-1.35,;-4.9,.19,;-3.57,-2.12,;-.51,4.31,;-1.6,5.4,;.98,4.71,;1.38,6.2,;2.86,6.59,;3.26,8.08,;2.17,9.17,;.69,8.77,;.29,7.28,;4.75,8.48,;5.84,7.39,;5.15,9.97,;6.24,8.88,)|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)C(=O)Nc1cc(n(C)n1)C(F)(F)F |r|
CCOc1cc(C(=O)Nc2cc(ccn2)C2CC2)c(F)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12 |r|
CCOc1cc(C(=O)Nc2cc(ccn2)C2CC2)c(F)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
Nc1nccn2c(nc(-c3ccc(cc3OC3CCCCC3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
CC(C)Oc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3OC3CCC3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3OC3CCCC3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
CC(C)(C)COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Nc1ncc(Cl)n2c(nc(-c3ccc(cc3OC3CC3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Cn1nc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4c(Cl)cnc(N)c34)c(OC3CC3)c2)cc1C(F)(F)F |r|
Cn1nc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)c(OC3CC3)c2)cc1C(F)(F)F |r|
Nc1ncc(Cl)n2c(nc(-c3ccc(cc3OC3CC3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3OC3CC3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Cn1nc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)c(OC3CNC3)c2)cc1C(F)(F)F |r|
Cn1nc(NC(=O)c2cc(OC3CC3)c(cc2F)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3c(Cl)cnc(N)c23)cc1C(F)(F)F |r|
CCOc1cc(C(=O)Nc2cc(ccn2)C(F)(F)F)c(F)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
CCOc1cc(C(=O)Nc2cc(n(C)n2)C(F)(F)F)c(F)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Cc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3c(Cl)cnc(N)c23)s1 |r|
CC(=O)Oc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CC(=O)Nc1nccn2c(nc(-c3ccc(cc3O)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
COCCN(C(=O)c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c(O)c1)c1cc(ccn1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)C(=O)Nc1ncc(C)s1 |r|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1ncc(C)s1 |r|
Nc1ncc(F)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(F)cnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(F)cnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(F)cnc(N)c12)C(=O)Nc1cc(n(C)n1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(F)cnc(N)c12)C(=O)Nc1ncc(C)s1 |r|
Nc1ncc(F)n2c(nc(-c3ccc(cc3O)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1ncc(F)n2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1ncc(F)n2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1ncc(F)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
CCOc1cc(C(=O)Nc2cc(ccn2)C(F)(F)F)c(F)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(F)cnc(N)c12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc([nH]n3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Cn1nc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)cc1C(F)(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ncc[nH]3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(on3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(no3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Cc1cc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)nn1C |r|
Cc1nsc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)n1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nc(c[nH]3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
CCc1nsc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)n1 |r|
CC(C)c1nsc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)n1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(n(n3)C3CCCC3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Cn1nc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)cc1C1CC1 |r|
Cc1nnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)s1 |r|
Cn1nc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3c(Cl)cnc(N)c23)cc1C(F)(F)F |r|
CCOC(=O)c1oc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)nc1C(F)(F)F |r|
CCn1nc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)cc1C(F)(F)F |r|
Cc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(n(C)n1)C(F)(F)F |r|
Cc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(n(C)n1)C(F)(F)F |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)C(=O)Nc1cc(n(C)n1)C(F)(F)F |r|
Cn1nc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)c(Cl)c2)cc1C(F)(F)F |r|
Cn1nc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4c(Cl)cnc(N)c34)c(Cl)c2)cc1C(F)(F)F |r|
Cn1nc(NC(=O)c2cc(Cl)c(cc2F)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3c(Cl)cnc(N)c23)cc1C(F)(F)F |r|
Nc1nccn2c(nc(-c3cc(F)c(cc3Cl)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1ncc(Cl)n2c(nc(-c3ccc(cc3Cl)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Cc1cnc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)c(Cl)c2)s1 |r|
Cc1cnc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4c(Cl)cnc(N)c34)c(Cl)c2)s1 |r|
Cc1cc(C(=O)Nc2cc(ccn2)C(F)(F)F)c(F)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12 |r|
Cc1cc(C(=O)Nc2cc(ccn2)C(F)(F)F)c(F)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
COCCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cccc(c1)C(F)(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3OCCO)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
CCOCCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1ncc(C)s1 |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)C(=O)Nc1ncc(C)s1 |r|
Nc1nccn2c(nc(-c3ccc(cc3OCCC#C)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(C)cnc(N)c12)C(=O)Nc1cc(n(C)n1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(cnc(N)c12)C(F)(F)F)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4c(Cl)cnc(N)c34)c(OC)c2)c1 |r|
COc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4c(Cl)cnc(N)c34)c(OC)c2)c1 |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)C(=O)Nc1cc(ccn1)C1CCC1 |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)C(=O)Nc1ccc(C)cn1 |r|
Nc1ncc(n2c(nc(-c3ccc(cc3Cl)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1)C(F)(F)F |r|
Nc1ncc(n2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1)C(F)(F)F |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(cnc(N)c12)C(F)(F)F)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Cc1cc(cc(F)c1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wU:11.11,wD:14.20,(.87,-.84,;-.22,.25,;.18,1.73,;-.91,2.82,;-2.4,2.42,;-2.8,.94,;-4.28,1.33,;-1.71,-.15,;-2.1,-1.64,;-1.2,-2.89,;-2.1,-4.13,;-1.71,-5.62,;-2.8,-6.71,;-2.4,-8.2,;-.91,-8.6,;-.21,-9.97,;1.31,-9.73,;1.55,-8.21,;2.89,-7.44,;.18,-7.51,;-.22,-6.02,;-3.57,-3.66,;-4.9,-4.43,;-6.24,-3.66,;-6.24,-2.12,;-4.9,-1.35,;-4.9,.19,;-3.57,-2.12,;-.51,4.31,;-1.6,5.4,;.98,4.71,;1.38,6.2,;2.86,6.59,;3.26,8.08,;2.17,9.17,;.69,8.77,;.29,7.28,;4.75,8.48,;5.84,7.39,;6.24,8.88,;5.15,9.97,)|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(cnc(N)c12)C(F)(F)F)C(=O)Nc1cc(n(C)n1)C(F)(F)F |r|
CC(F)(F)Oc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
COc1cc(cc(F)c1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wU:12.12,wD:15.21,(2.36,-.45,;.87,-.84,;-.22,.25,;.18,1.73,;-.91,2.82,;-2.4,2.42,;-2.8,.94,;-4.28,1.33,;-1.71,-.15,;-2.1,-1.64,;-1.2,-2.89,;-2.1,-4.13,;-1.71,-5.62,;-2.8,-6.71,;-2.4,-8.2,;-.91,-8.6,;-.21,-9.97,;1.31,-9.73,;1.55,-8.21,;2.89,-7.44,;.18,-7.51,;-.22,-6.02,;-3.57,-3.66,;-4.9,-4.43,;-4.9,-5.97,;-6.24,-3.66,;-6.24,-2.12,;-4.9,-1.35,;-4.9,.19,;-3.57,-2.12,;-.51,4.31,;-1.6,5.4,;.98,4.71,;1.38,6.2,;2.86,6.59,;3.26,8.08,;2.17,9.17,;.69,8.77,;.29,7.28,;4.75,8.48,;5.84,7.39,;6.24,8.88,;5.15,9.97,)|
COc1cc(C(=O)Nc2cc(ccn2)C(F)(F)F)c(Cl)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12 |r|
COc1cc(cc(F)c1-c1nc([C@@H]2CC[C@H]3CC(C)(C)C(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wU:12.12,wD:15.23,(2.36,.18,;.87,-.22,;-.22,.87,;.18,2.36,;-.91,3.44,;-2.4,3.05,;-2.8,1.56,;-4.28,1.96,;-1.71,.47,;-2.1,-1.02,;-1.2,-2.26,;-2.1,-3.51,;-1.71,-5,;-2.8,-6.09,;-2.4,-7.57,;-.91,-7.97,;-.21,-9.34,;1.31,-9.1,;2.8,-9.5,;1.71,-10.59,;1.55,-7.58,;2.89,-6.81,;.18,-6.88,;-.22,-5.4,;-3.57,-3.03,;-4.9,-3.8,;-6.24,-3.03,;-6.24,-1.49,;-4.9,-.72,;-4.9,.82,;-3.57,-1.49,;-.51,4.93,;-1.6,6.02,;.98,5.33,;1.38,6.82,;2.86,7.22,;3.26,8.7,;2.17,9.79,;.69,9.39,;.29,7.91,;4.75,9.1,;5.84,8.01,;6.24,9.5,;5.15,10.59,)|
COc1cc(cc(F)c1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(F)cnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wU:12.12,wD:15.21,(2.36,-.45,;.87,-.84,;-.22,.25,;.18,1.73,;-.91,2.82,;-2.4,2.42,;-2.8,.94,;-4.28,1.33,;-1.71,-.15,;-2.1,-1.64,;-1.2,-2.89,;-2.1,-4.13,;-1.71,-5.62,;-2.8,-6.71,;-2.4,-8.2,;-.91,-8.6,;-.21,-9.97,;1.31,-9.73,;1.55,-8.21,;2.89,-7.44,;.18,-7.51,;-.22,-6.02,;-3.57,-3.66,;-4.9,-4.43,;-4.9,-5.97,;-6.24,-3.66,;-6.24,-2.12,;-4.9,-1.35,;-4.9,.19,;-3.57,-2.12,;-.51,4.31,;-1.6,5.4,;.98,4.71,;1.38,6.2,;2.86,6.59,;3.26,8.08,;2.17,9.17,;.69,8.77,;.29,7.28,;4.75,8.48,;5.84,7.39,;6.24,8.88,;5.15,9.97,)|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@@H]3N(C2)C(=O)CC3(C)C)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC1CN(C1)C(=O)C=C
C\C=C\C(=O)N1CC(C1)Oc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C
Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC1CN(C1)C(=O)C#C
CC#CC(=O)N1CC(C1)Oc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C
Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC1CCN(CC1)C(=O)C=C
CN(CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C
C\C=C\C(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C
CN(CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C#C
COC\C=C\C(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C
CC#CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C
CN(CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C1CO1
CN(CCOc1c(N)ncnc1-c1cccc(c1)-n1ccc2cc(cc(F)c2c1=O)C1CC1)C(=O)C=C
Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OCCNC(=O)C=C
CCN(CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C
Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OCCN(CCF)C(=O)C=C
Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OCC1(CC1)NC(=O)C=C
C[C@@H](COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)NC(=O)C=C |r|
CC#CC(=O)N[C@@H](C)COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C |r|
C[C@@H](COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)N(C)C(=O)C=C |r|
CC#CC(=O)N(C)[C@@H](C)COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C |r|
CN(CCCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C
Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1CCCN1C(=O)C=C |r|
CC#CC(=O)N1CCC[C@H]1COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C |r|
Nc1ncnc(c1OC[C@@H]1CCCN1C(=O)C=C)-c1cc(F)cc(N2CCc3cc(ccc3C2=O)C2CC2)c1CO |r|
CN(CCOc1c(N)ncnc1-c1cc(F)cc(N2CCc3cc(ccc3C2=O)C2CC2)c1CO)C(=O)C=C
CO[C@@H]1C[C@@H](COc2c(N)ncnc2-c2cc(F)cc(NC(=O)c3ccc(cc3F)C3CC3)c2C)N(C1)C(=O)C=C |r|
CO[C@@H]1C[C@@H](COc2c(N)ncnc2-c2cc(F)cc(NC(=O)c3ccc(cc3F)C3CC3)c2C)N(C1)C(=O)C#CC |r|
CO[C@@H]1C[C@@H](COc2c(N)ncnc2-c2cc(F)cc(N3CCc4cc(ccc4C3=O)C3CC3)c2CO)N(C1)C(=O)C=C |r|
CO[C@H]1C[C@@H](COc2c(N)ncnc2-c2cc(F)cc(NC(=O)c3ccc(cc3F)C3CC3)c2C)N(C1)C(=O)C=C |r|
CO[C@H]1C[C@@H](COc2c(N)ncnc2-c2cc(F)cc(NC(=O)c3ccc(cc3F)C3CC3)c2C)N(C1)C(=O)C#CC |r|
Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1C[C@@H](F)CN1C(=O)C=C |r|
CC#CC(=O)N1C[C@H](F)C[C@H]1COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C |r|
Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1CCN1C(=O)C=C |r|
Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1CCN1C(=O)C#C |r|
Nc1ncnc(c1OC[C@@H]1CCN1C(=O)C=C)-c1cc(F)cc(N2CCc3cc(ccc3C2=O)C2CC2)c1CO |r|
Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@H]1CCN1C(=O)C=C |r|
Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1CCCN(C1)C(=O)C=C |r|
CO[C@H]1CCN([C@@H]1COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C |r|
Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1C[C@H](CN1C(=O)C=C)C#N |r|
Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1C[C@@H](CN1C(=O)C=C)C#N |r|
NC(=O)C(=C\c1cccc(c1)-n1cc(-c2ccc(Cl)cc2)c2c(N)ncnc12)\C#N
CN(C)C(=O)C(=C\c1cccc(c1)-n1cc(-c2ccc(Cl)cc2)c2c(N)ncnc12)\C#N
Nc1ncnc2n(cc(-c3ccc(Cl)cc3)c12)-c1cccc(\C=C(/C#N)C(=O)N2CCC2)c1
Nc1ncnc2n(cc(-c3ccc(Cl)cc3)c12)-c1cccc(\C=C(/C#N)C(=O)N2CCCC2)c1
Nc1ncnc2n(cc(-c3ccc(Cl)cc3)c12)-c1cccc(\C=C(/C#N)C(=O)N2CC(O)C2)c1
CN1CCN(CC1)C(=O)C(=C\c1cccc(c1)-n1cc(-c2ccc(Cl)cc2)c2c(N)ncnc12)\C#N
CN1CCN(CC1)C(=O)C(=C\c1cccc(c1)-n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)\C#N
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)-c1cccc(\C=C(/C#N)C(=O)N2CC(O)C2)c1
NC(=O)C(=C\c1cccc(c1)-n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)\C#N
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)-c1cccc(\C=C(/C#N)C(=O)NCCO)c1
CN(C)C(=O)C(=C\c1cccc(c1)-n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)\C#N
CC(C)(CO)NC(=O)C(=C\c1cccc(c1)-n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)\C#N
Nc1ncnc2n(nc(-c3ccc(C(=O)c4ccc(F)cc4)c(F)c3)c12)C1CCCN(C1)C(=O)C=C
Nc1ncnc2n(nc(-c3ccc(cc3F)C(=O)c3ccc(F)cc3)c12)C1CCCN(C1)C(=O)C=C
Nc1ncnc2n(nc(-c3ccc(C(=O)c4cccc(F)c4)c(F)c3)c12)C1CCCN(C1)C(=O)C=C
Nc1ncnc2n(nc(-c3ccc(cc3F)C(=O)c3ccccc3F)c12)C1CCCN(C1)C(=O)C=C
Nc1ncnc2n(nc(-c3ccc(cc3F)C(=O)c3cccc(F)c3)c12)C1CCCN(C1)C(=O)C=C
Cc1oncc1C(=O)N1CCCC(C1)n1nc(-c2ccc(cc2F)C(=O)c2cccc(F)c2)c2c(N)ncnc12
C\C(O)=C(\C#N)C(=O)N1CCCC(C1)n1nc(-c2ccc(cc2F)C(=O)c2cccc(F)c2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(cc3F)C(=O)c3cccc(F)c3)c12)C1CCCN(C1)S(=O)(=O)C=C
Nc1ncnc2n(nc(-c3ccc(cc3F)C(=O)c3cccc(F)c3)c12)C1CCCN(C1)C(=O)C1CO1
CC(C)(C)OC(=O)N1CCCC(C1)n1nc(-c2ccc(cc2F)C(=O)c2ccccc2[N+]([O-])=O)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(cc3F)C(=O)c3c(F)c(F)cc(F)c3F)c12)C1CCCN(C1)C(=O)C=C
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(F)c4[N+]([O-])=O)cc3F)c12)C1CCCN(C1)C(=O)C=C
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(F)c4)cc3F)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:25.28,28.35,(3.41,-6.7,;4.49,-5.61,;6.03,-5.77,;6.93,-4.53,;6.31,-3.12,;4.77,-2.96,;3.87,-1.72,;2.4,-2.19,;2.4,-3.73,;1.07,-4.5,;1.07,-6.04,;-.26,-6.81,;-1.6,-6.04,;-2.93,-6.81,;-4.26,-6.04,;-5.6,-6.81,;-6.93,-6.04,;-6.93,-4.5,;-5.6,-3.73,;-5.6,-2.19,;-4.26,-4.5,;-1.6,-4.5,;-.26,-3.73,;-.26,-2.19,;3.87,-4.21,;4.27,-.23,;5.75,.17,;6.15,1.66,;5.06,2.75,;3.58,2.35,;3.18,.86,;5.46,4.23,;4.37,5.32,;4.77,6.81,;2.89,4.93,;1.8,6.01,)|
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(F)c4)cc3F)c12)[C@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:25.28,wD:28.35,(3.41,-6.7,;4.49,-5.61,;6.03,-5.77,;6.93,-4.53,;6.31,-3.12,;4.77,-2.96,;3.87,-1.72,;2.4,-2.19,;2.4,-3.73,;1.07,-4.5,;1.07,-6.04,;-.26,-6.81,;-1.6,-6.04,;-2.93,-6.81,;-4.26,-6.04,;-5.6,-6.81,;-6.93,-6.04,;-6.93,-4.5,;-5.6,-3.73,;-5.6,-2.19,;-4.26,-4.5,;-1.6,-4.5,;-.26,-3.73,;-.26,-2.19,;3.87,-4.21,;4.27,-.23,;3.18,.86,;3.58,2.35,;5.06,2.75,;6.15,1.66,;5.75,.17,;5.46,4.23,;4.37,5.32,;4.77,6.81,;2.89,4.93,;1.8,6.01,)|
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(F)c4)cc3F)c12)C1CCN(C1)C(=O)C=C
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(F)c4)cc3F)c12)[C@@H]1CC[C@H](C1)NC(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(F)c4)cc3F)c12)[C@@H]1CC[C@@H](C1)NC(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(F)c4)cc3F)c12)C1CCCN(C1)C(=O)C=C
CS(=O)(=O)Nc1ccccc1Oc1ccc(-c2nn(C3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(F)c1
CS(=O)(=O)Nc1cccc(Oc2ccc(-c3nn(C4CCCN(C4)C(=O)C=C)c4ncnc(N)c34)c(F)c2)c1
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)ccc(F)c4F)cc3F)c12)C1CCCN(C1)C(=O)C=C
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:28.31,31.38,(4.07,-5.93,;5.16,-4.84,;6.69,-5,;7.6,-3.76,;6.97,-2.35,;5.44,-2.19,;4.54,-.95,;3.07,-1.42,;3.07,-2.96,;1.74,-3.73,;1.74,-5.27,;.4,-6.04,;-.93,-5.27,;-2.26,-6.04,;-3.6,-5.27,;-3.6,-3.73,;-2.26,-2.96,;-4.93,-2.96,;-4.93,-1.42,;-6.26,-3.73,;-6.26,-5.27,;-7.6,-6.04,;-4.93,-6.04,;-4.93,-7.58,;-.93,-3.73,;.4,-2.96,;.4,-1.42,;4.54,-3.44,;4.93,.54,;6.42,.94,;6.82,2.43,;5.73,3.52,;4.24,3.12,;3.85,1.63,;6.13,5,;5.04,6.09,;5.44,7.58,;3.55,5.7,;2.46,6.78,)|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)C1CCN(C1)C(=O)C=C
Fc1cc(F)c(F)c(Oc2ccc3c4nn(C5CCN(C5)C(=O)C=C)c5ncnc([nH]c3c2)c45)c1F
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CC[C@H](C1)NC(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CC[C@@H](C1)NC(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)C1CCN(CC1)C(=O)C=C
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)C1CCC(CNC(=O)C=C)C1
Nc1ncnc2n(CC3CCN(C3)C(=O)C=C)nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12
Nc1ncnc2n(CC3CCCN(C3)C(=O)C=C)nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12
Nc1ncnc2n(CC3CCC(C3)NC(=O)C=C)nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)C1CCC(CC1)N1C(=O)C=CC1=O |c:42,(3.45,-5.89,;4.54,-4.8,;6.07,-4.96,;6.98,-3.72,;6.35,-2.31,;4.82,-2.15,;3.91,-.9,;2.45,-1.38,;2.45,-2.92,;1.12,-3.69,;1.12,-5.23,;-.22,-6,;-1.55,-5.23,;-2.88,-6,;-4.22,-5.23,;-4.22,-3.69,;-2.88,-2.92,;-5.55,-2.92,;-5.55,-1.38,;-6.89,-3.69,;-6.89,-5.23,;-8.22,-6,;-5.55,-6,;-5.55,-7.54,;-1.55,-3.69,;-.22,-2.92,;-.22,-1.38,;3.91,-3.39,;4.31,.58,;5.8,.98,;6.2,2.47,;5.11,3.56,;3.62,3.16,;3.22,1.67,;5.51,5.05,;6.97,5.52,;8.22,4.62,;6.97,7.06,;5.51,7.54,;4.6,6.29,;3.06,6.29,)|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)C1CCCC(C1)N1C(=O)C=CC1=O |c:42|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@H]1CC[C@@H](C1)N1C(=O)C=CC1=O |r,c:41|
Nc1ncnc2n(CCCN3C(=O)C=CC3=O)nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12 |c:13|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)C1CCC(CC1)NC(=O)CSSCC(=O)NC1CCC(CC1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12 |(-10.87,4.76,;-11.35,3.3,;-12.86,2.98,;-13.33,1.51,;-12.3,.37,;-10.8,.69,;-9.55,-.22,;-8.3,.69,;-8.78,2.15,;-7.69,3.24,;-8.09,4.73,;-7,5.82,;-5.51,5.42,;-4.42,6.51,;-2.94,6.11,;-1.85,7.2,;-2.25,8.69,;-.36,6.8,;.73,7.89,;.04,5.31,;-1.05,4.22,;-.65,2.74,;-2.54,4.62,;-3.63,3.53,;-5.11,3.93,;-6.2,2.84,;-5.8,1.36,;-10.32,2.15,;-9.55,-1.76,;-10.88,-2.53,;-10.88,-4.07,;-9.55,-4.84,;-8.22,-4.07,;-8.22,-2.53,;-9.55,-6.38,;-8.22,-7.15,;-8.22,-8.69,;-6.88,-6.38,;-5.55,-7.15,;-4.22,-6.38,;-2.88,-7.15,;-1.55,-6.38,;-1.55,-4.84,;-.21,-7.15,;1.12,-6.38,;1.12,-4.84,;2.45,-4.07,;3.79,-4.84,;3.79,-6.38,;2.45,-7.15,;5.12,-4.07,;5.12,-2.53,;6.59,-2.05,;6.98,-.56,;8.47,-.16,;8.87,1.32,;7.78,2.41,;8.18,3.9,;9.67,4.3,;10.07,5.79,;8.98,6.87,;11.55,6.18,;11.95,7.67,;12.64,5.1,;12.24,3.61,;13.33,2.52,;10.76,3.21,;10.36,1.72,;6.29,2.01,;5.89,.53,;4.41,.13,;7.49,-3.3,;9.02,-3.46,;9.93,-2.21,;9.65,-4.86,;8.74,-6.11,;7.21,-5.95,;6.59,-4.54,)|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)C1CCC(CC1)N1C(=O)CSC1=O |(3.45,-5.89,;4.54,-4.8,;6.07,-4.96,;6.98,-3.72,;6.35,-2.31,;4.82,-2.15,;3.91,-.9,;2.45,-1.38,;2.45,-2.92,;1.12,-3.69,;1.12,-5.23,;-.22,-6,;-1.55,-5.23,;-2.88,-6,;-4.22,-5.23,;-4.22,-3.69,;-2.88,-2.92,;-5.55,-2.92,;-5.55,-1.38,;-6.89,-3.69,;-6.89,-5.23,;-8.22,-6,;-5.55,-6,;-5.55,-7.54,;-1.55,-3.69,;-.22,-2.92,;-.22,-1.38,;3.91,-3.39,;4.31,.58,;5.8,.98,;6.2,2.47,;5.11,3.56,;3.62,3.16,;3.22,1.67,;5.51,5.05,;4.6,6.29,;3.06,6.29,;5.51,7.54,;6.97,7.06,;6.97,5.52,;8.22,4.62,)|
NC(=O)\C=C\C(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12
CNC(=O)\C=C\C(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12
NC(=N)NC(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12
CC(=O)CC(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@H]1CCN(C1)C(=O)C=C |r|
COC(=O)NC(=O)\C=C/C(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12
COC(=O)C(=C/C)\C(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)C1CCCN(C1)C(=O)C(=C)C#N
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)C1CCCN(C1)C(=O)C(=C)CO
Nc1ncnc2n(CCN3C(=O)C=CC3=O)nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12 |c:12|
CNC(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12
CNC(=N)N1CCCC(C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12
CN\C(=N/C#N)N1CCCC(C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12
CN\C(=N/[N+]([O-])=O)N1CCCC(C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12
CNC(=O)CN1CCCC(C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12
CNC(=O)C(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCN(C1)C(=O)CCCl |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)C1CCCN(C1)C(=O)c1c[nH]cn1
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)C1CCCN(C1)C(=O)c1cccnc1
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)C1CCCN(C1)C(=O)CCl
CN(C)CC(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)C1CCCN(C1)C(=O)C1CNC(=O)S1
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)C1CCCN(C1)C(=O)C(=C)C(F)(F)F
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)C1CCCN(C1)C(=O)CC(=O)C(F)(F)F
Fc1cc(F)c(F)c(Oc2ccc(-c3nn(C4CCCNC4)c4ncnc(NC(=O)CC(=O)C(F)(F)F)c34)c(F)c2)c1F
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)C1CCCN(C1)C(=O)CC(=O)C1CC1
CCOC(=O)C(=C)CN1CCCC(C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12
CNC(=O)C(=C)CN1CCCC(C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)C1CCCN(CC(=C)C#N)C1
Nc1ncnc2n(nc(-c3ccc(cc3F)C(=O)c3ccc(F)cc3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(cc3F)C(=O)c3ccccc3F)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(cc3F)C(=O)c3cccc(F)c3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
CCOC(=O)\C=C\CNC(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCN(C1)C(=O)CCl |r|
CNC(=O)\C=C\CNC(=O)N1CC[C@H](C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCN(C1)C(=O)C(=O)C(F)(F)F |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCN(C1)C(=O)C(=O)C1CC1 |r|
CC(C)C(=O)C(=O)N1CC[C@H](C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12 |r|
CC(C)(CO)C(=O)C(=O)N1CC[C@H](C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)C1CCCN(C1)C(=O)C(=O)C1CC1
Nc1ncnc2n(CCNC(=O)C=C)nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12
CC(NC(=O)C=C)C(C)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12
CC(CNC(=O)C=C)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12
CN(CCn1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12)C(=O)C=C
CN(CCCn1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12)C(=O)C=C
CC(C)(Cn1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12)NC(=O)C=C
CNC(=O)c1cc(Oc2ccc(-c3nn([C@@H]4CCN(C4)C(=O)C=C)c4ncnc(N)c34)c(F)c2)ccn1 |r|
COc1cc2nccc(Oc3ccc(-c4nn([C@@H]5CCN(C5)C(=O)C=C)c5ncnc(N)c45)c(F)c3)c2cc1OC |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccnc5ccccc45)cc3F)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCN(C1)C(=O)\C=C\c1ccccc1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCN(C1)C(=O)\C=C\c1ccccc1F |r|
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(F)c4)cc3F)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ncccn4)cc3F)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4nccc(Cl)n4)cc3F)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4nccc(n4)C(F)(F)F)cc3F)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCN(C1)C(=O)\C=C/C#N |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCCN(C1)C(=O)CCl |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@H]1CCCN(C1)C(=O)CCl |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCCN(C1)C(=O)C(Cl)Cl |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@H]1CCCN(C1)C(=O)C(Cl)Cl |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCN(C1)C(=O)C(Cl)Cl |r|
C\C=C\C(=O)N1CC[C@H](C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12 |r|
CC(=C)C(=O)N1CC[C@H](C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCN(C1)C(=O)C(F)=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCCN(C1)C(=O)CF |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@H]1CCCN(C1)C(=O)CF |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCN(C1)C(=O)c1ncco1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCN(C1)C(=O)c1nc2ccccc2o1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCN(C1)C(=O)CF |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCN(C1)C(=O)C#N |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCN(CC#N)C1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCN(CCC#N)C1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCN(C1)C(=O)NO |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCN(C1)S(=O)(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCN(C1)C(=O)C(O)=O |r|
Nc1ncnc2n(cc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCN(C1)C#N |r|
Nc1ncnc2n(cc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CCN(C1)C(=O)C(Cl)CO |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccc(F)cc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)c(Cl)c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Cc1c[nH]c2c(ccc(-c3cccc(NC(=O)C=C)c3C)c12)C(N)=O
Cc1[nH]c2c(ccc(-c3cccc(c3)S(=O)(=O)C=C)c2c1C)C(N)=O
CN(C(=O)C=C)c1cccc(c1)-c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
Cc1[nH]c2c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(-c3cccc(NC(=O)C=C)c3C)c2c1C)C(N)=O
C\C=C\C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c(C)c(C)c12
Cc1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C
C\C=C\C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c(C)cc12
C\C=C\C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]cc(C)c12
CC(C)=CC(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c(C)c(C)c12 |(6.62,-5,;5.29,-4.23,;5.29,-2.69,;3.96,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-5,;-.05,-4.23,;-1.38,-5,;-2.71,-4.23,;-2.71,-2.69,;-1.38,-1.93,;-.05,-2.69,;1.29,-1.93,;-1.38,-.38,;-.05,.38,;-.05,1.93,;-1.38,2.69,;-1.38,4.23,;-.05,5,;-2.71,5,;-2.71,1.93,;-4.18,2.4,;-5.08,1.15,;-6.62,1.15,;-4.18,-.09,;-4.63,-1.42,;-2.71,.38,)|
CC(C)=CC(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c(C)cc12 |(6.62,-5,;5.29,-4.23,;5.29,-2.69,;3.96,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-5,;-.05,-4.23,;-1.38,-5,;-2.71,-4.23,;-2.71,-2.69,;-1.38,-1.93,;-.05,-2.69,;1.29,-1.93,;-1.38,-.38,;-.05,.38,;-.05,1.93,;-1.38,2.69,;-1.38,4.23,;-.05,5,;-2.71,5,;-2.71,1.93,;-4.18,2.4,;-5.08,1.15,;-6.62,1.15,;-4.18,-.09,;-2.71,.38,)|
CC(C)=CC(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]cc(C)c12 |(5.85,-5,;4.52,-4.23,;4.52,-2.69,;3.19,-5,;1.85,-4.23,;1.85,-2.69,;.52,-5,;-.82,-4.23,;-2.15,-5,;-3.48,-4.23,;-3.48,-2.69,;-2.15,-1.93,;-.82,-2.69,;.52,-1.93,;-2.15,-.38,;-.82,.38,;-.82,1.93,;-2.15,2.69,;-2.15,4.23,;-.82,5,;-3.48,5,;-3.48,1.93,;-4.95,2.4,;-5.85,1.15,;-4.95,-.09,;-5.4,-1.42,;-3.48,.38,)|
CCC(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c(C)c(C)c12
Cc1[nH]c2c(ccc(-c3cccc(NC(=O)C4CC4)c3C)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(-c3cccc(NC(=O)C4(CC4)C#N)c3C)c2c1C)C(N)=O
CN(C)C\C=C\C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c(C)c(C)c12
CC(=C)C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c(C)c(C)c12
Cc1[nH]c2c(ccc(-c3cccc(NC(=O)C4=CCCCC4)c3C)c2c1C)C(N)=O |t:16|
Cc1c[nH]c2c(ccc(-c3cccc(NC(=O)CC#N)c3C)c12)C(N)=O
CN(C(=O)C=C)c1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c(C)c(C)c12
Cc1[nH]c2c(ccc(-c3cccc(C(=O)NCC#N)c3C)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(-c3cccc(NC(=O)C=C)c3)c2c1C)C(N)=O
CN(c1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c(C)c(C)c12)S(=O)(=O)C=C
CN(c1cccc(c1C)-c1ccc(C(N)=O)c2[nH]cc(C)c12)S(=O)(=O)C=C
CN(c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c(C)c(C)c12)S(=O)(=O)C=C
CN(c1cccc(c1)-c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12)S(=O)(=O)C=C
CN(c1cccc(c1)-c1c(Cl)cc(C(N)=O)c2[nH]c(C)c(C)c12)S(=O)(=O)C=C
CN(c1cccc(c1)-c1ccc(C(N)=O)c2[nH]cc(C)c12)S(=O)(=O)C=C
CN(C(=O)C=C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c(C)c(C)c12
CN(C(=O)C=C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]cc(C)c12
Cc1c[nH]c2c(ccc(-c3cccc(NS(=O)(=O)C=C)c3C)c12)C(N)=O
CN(C(=O)C=C)c1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c(C)c(C)c12
Cc1c[nH]c2c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c12)C(N)=O
Cc1[nH]c2c(ccc(-c3cccc(NS(=O)(=O)C=C)c3C)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(-c3cccc(N4CCC(=C)C4=O)c3C)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(-c3cccc(c3)N3CCC(=C)C3=O)c2c1C)C(N)=O
CC1=CCN(C1=O)c1cccc(c1)-c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |t:1|
Cc1[nH]c2c(ccc(-c3ccc4CCN(C(=O)C=C)c4c3)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(-c3ccc4CCN(c4c3)S(=O)(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(-c3cccc(CNS(=O)(=O)C=C)c3)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(-c3cccc(CNC(=O)C=C)c3)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(-c3cccc(c3)C(C)(C)NS(=O)(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(-c3ccnc(NC(=O)C=C)c3)c2c1C)C(N)=O
Cc1cc2c(ccc(C(N)=O)c2[nH]1)-c1ccnc(NC(=O)C=C)c1
Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]ccc12
CN(C(=O)C=C)c1cccc(c1C)-c1ccc(C(N)=O)c2[nH]ccc12
Cc1[nH]c2c(ccc(-c3cccc(N4Cc5ccc(C)cc5C4=O)c3C)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(-c3cccc(N4Cc5ccc(F)cc5C4=O)c3C)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(-c3cccc(c3C)-n3cnc4ccc(F)cc4c3=O)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(-c3cccc(Nc4ncnc5cccc(F)c45)c3C)c2c1C)C(N)=O
Cc1c(cccc1-n1cnc2ccc(F)cc2c1=O)-c1ccc(C(N)=O)c2[nH]ccc12
Cc1c(cccc1-n1cnc2cc(F)ccc2c1=O)-c1ccc(C(N)=O)c2[nH]ccc12
Cc1c(cccc1-n1cnc2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]ccc12
Cc1c(cccc1-n1cnc2ccc(Cl)cc2c1=O)-c1ccc(C(N)=O)c2[nH]ccc12
COc1cccc2c1ncn(-c1cccc(c1C)-c1ccc(C(N)=O)c3[nH]ccc13)c2=O
Cc1c(cccc1-c1ccc(C(N)=O)c2[nH]ccc12)N1Cc2ccc(F)cc2C1=O
Cc1c(cccc1-c1ccc(C(N)=O)c2[nH]ccc12)N1Cc2ccc(cc2C1=O)C#N
Cc1c[nH]c2c(ccc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c12)C(N)=O
Cc1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(c1C)-n1cnc2ccccc2c1=O
COc1ccc(COc2cc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c3c(C)c(C)[nH]c3c2C(N)=O)cc1
COc1ccc(COc2cc(-c3cccc(c3C)-n3cnc4c(F)cccc4c3=O)c3c(C)c(C)[nH]c3c2C(N)=O)cc1
COc1ccc(COc2cc(-c3cccc(N4Cc5ccc(cc5C4=O)C#N)c3C)c3c(C)c(C)[nH]c3c2C(N)=O)cc1
COc1ccc(COc2cc(-c3cccc(c3C)-n3cnc4ccc(F)cc4c3=O)c3c(C)c(C)[nH]c3c2C(N)=O)cc1
COc1ccc(COc2cc(-c3cccc(c3C)-n3cnc4cc(F)ccc4c3=O)c3c(C)c(C)[nH]c3c2C(N)=O)cc1
COc1ccc(COc2cc(-c3cccc(c3C)-n3cnc4c(OC)cccc4c3=O)c3c(C)c(C)[nH]c3c2C(N)=O)cc1
Cc1[nH]c2c(ccc(-c3cccc(c3C)-n3c(=O)n(C)c4c(F)cccc4c3=O)c2c1C)C(N)=O |(-6.62,3.08,;-5.08,3.08,;-4.18,4.33,;-2.71,3.85,;-1.38,4.62,;-.05,3.85,;-.05,2.31,;-1.38,1.54,;-1.38,,;-2.71,-.77,;-2.71,-2.31,;-1.38,-3.08,;-.05,-2.31,;-.05,-.77,;1.29,,;1.29,-3.08,;1.29,-4.62,;-.05,-5.39,;2.62,-5.39,;2.62,-6.93,;3.96,-4.62,;5.29,-5.39,;5.29,-6.93,;6.62,-4.62,;6.62,-3.08,;5.29,-2.31,;3.96,-3.08,;2.62,-2.31,;2.62,-.77,;-2.71,2.31,;-4.18,1.83,;-4.63,.5,;-1.38,6.16,;-.05,6.93,;-2.71,6.93,)|
Cc1[nH]c2c(ccc(-c3cccc(c3C)-n3c(=O)n(C)c4ccccc4c3=O)c2c1C)C(N)=O |(-6.62,3.08,;-5.08,3.08,;-4.18,4.33,;-2.71,3.85,;-1.38,4.62,;-.05,3.85,;-.05,2.31,;-1.38,1.54,;-1.38,,;-2.71,-.77,;-2.71,-2.31,;-1.38,-3.08,;-.05,-2.31,;-.05,-.77,;1.29,,;1.29,-3.08,;1.29,-4.62,;-.05,-5.39,;2.62,-5.39,;2.62,-6.93,;3.96,-4.62,;5.29,-5.39,;6.62,-4.62,;6.62,-3.08,;5.29,-2.31,;3.96,-3.08,;2.62,-2.31,;2.62,-.77,;-2.71,2.31,;-4.18,1.83,;-4.63,.5,;-1.38,6.16,;-.05,6.93,;-2.71,6.93,)|
Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]ccc12
Cc1[nH]c2c(ccc(-c3cccc(\C=C(/C#N)S(C)(=O)=O)c3)c2c1C)C(N)=O
Cc1[nH]c2c(C(N)=O)c(O)cc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c2c1C
CCOc1cc(-c2cccc(c2C)-n2cnc3ccccc3c2=O)c2c(C)c(C)[nH]c2c1C(N)=O
COc1cc(-c2cccc(c2C)-n2cnc3ccccc3c2=O)c2c(C)c(C)[nH]c2c1C(N)=O
Cc1[nH]c2c(C(N)=O)c(OCc3ccccc3)cc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c2c1C
Cc1[nH]c2c(C(N)=O)c(OCCN3CCOCC3)cc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c2c1C
COCCOc1cc(-c2cccc(c2C)-n2cnc3ccccc3c2=O)c2c(C)c(C)[nH]c2c1C(N)=O
Cc1[nH]c2c(ccc(-c3cccc(Nc4nc(Cl)nc(Cl)n4)c3C)c2c1C)C(N)=O
CN(C1CCCN(C1)c1ccc(C(N)=O)c2[nH]c(C)c(C)c12)C(=O)C=C
Cc1[nH]c2c(ccc(NC3CCN(CC3)C(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(C3CCCN(C3)C(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(N3CCC[C@H](C3)NC(=O)C=C)c2c1C)C(N)=O |r|
Cc1[nH]c2c(ccc(N3CCC(C3)NC(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(N3CCCC(C3)NC(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NC(=O)C=C)c2c1C)C(N)=O |r|
Cc1[nH]c2c(ccc(N3CC[C@H](C3)NC(=O)C=C)c2c1C)C(N)=O |r|
Cc1[nH]c2c(ccc(NC3CCN(C3)C(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(N[C@@H]3CCN(C3)C(=O)C=C)c2c1C)C(N)=O |r|
Cc1[nH]c2c(cc(F)c(N[C@H]3CCN(C3)C(=O)C=C)c2c1C)C(N)=O |r|
Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C=C)c2c1C)C(N)=O |r|
Cc1[nH]c2c(ccc(C3CCN(C3)C(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(NC3CCCN(C3)C(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(cc(F)c(NC3CCN(CC3)C(=O)C=C)c2c1C)C(N)=O
Cc1c[nH]c2c(ccc(C3CCCN(C3)C(=O)C=C)c12)C(N)=O
CN([C@H]1CCN(C1)C(=O)C=C)c1ccc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.63,-.65,;-1.38,5,;-.05,5.78,;-2.71,5.78,)|
CN([C@H]1CCN(C1)C(=O)C=C)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
Cc1[nH]c2c(cc(F)c(-c3ccc4N(CCCc4c3)C(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(cc(F)c(N3CC4CN(CC4C3)C(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(cc(F)c(-c3ccc4CCCN(C(=O)C=C)c4c3)c2c1C)C(N)=O
Cc1[nH]c2c(cc(F)c(N3CC[C@@H](C3)NC(=O)C=C)c2c1C)C(N)=O |r|
Cc1[nH]c2c(cc(F)c(-c3ccc4CN(Cc4c3)C(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCOc34)C(=O)C=C)c2c1C)C(N)=O |(-4.62,3.08,;-3.08,3.08,;-2.18,4.33,;-.71,3.85,;.62,4.62,;1.95,3.85,;1.95,2.31,;3.29,1.54,;.62,1.54,;.62,,;-.71,-.77,;-.71,-2.31,;.62,-3.08,;1.95,-2.31,;3.29,-3.08,;4.62,-2.31,;4.62,-.77,;3.29,,;1.95,-.77,;3.29,-4.62,;1.95,-5.39,;4.62,-5.39,;4.62,-6.93,;-.71,2.31,;-2.18,1.83,;-2.63,.5,;.62,6.16,;1.95,6.93,;-.71,6.93,)|
Cc1[nH]c2c(ccc(NC3CCN(C3)C(=O)C#C)c2c1C)C(N)=O
CC#CC(=O)N1CCCC(C1)c1ccc(C(N)=O)c2[nH]cc(C)c12
CN(C1CCCN(C1)c1ccc(C(N)=O)c2[nH]c(C)c(C)c12)C(=O)C#C
Cc1[nH]c2c(ccc(NC3CCCN(C3)C(=O)C#C)c2c1C)C(N)=O
CC#CC(=O)N1CCC(CC1)Nc1ccc(C(N)=O)c2[nH]c(C)c(C)c12
CC#CC(=O)N(C)C1CCCN(C1)c1ccc(C(N)=O)c2[nH]c(C)c(C)c12
Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NC(=O)C#Cc3ccccc3)c2c1C)C(N)=O |r|
Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NC(=O)C#C[Si](C)(C)C)c2c1C)C(N)=O |r|
Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NC(=O)C#CC(C)(C)O)c2c1C)C(N)=O |r|
CCC#CC(=O)N[C@H]1CCCN(C1)c1ccc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
CCCC#CC(=O)N[C@H]1CCCN(C1)c1ccc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
Cc1[nH]c2c(ccc(NC3CCN(CC3)C(=O)C#C)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NC(=O)C#C)c2c1C)C(N)=O |r|
CC#CC(=O)N[C@H]1CCCN(C1)c1ccc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
Cc1[nH]c2c(ccc(N3CCC[C@H](C3)NC(=O)C#C)c2c1C)C(N)=O |r|
CC#CC(=O)N[C@@H]1CCCN(C1)c1ccc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
Cc1[nH]c2c(ccc(N3CC[C@H](C3)NC(=O)C#C)c2c1C)C(N)=O |r|
CC#CC(=O)N[C@@H]1CCN(C1)c1ccc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
CC#CC(=O)N1CCC(C1)Nc1ccc(C(N)=O)c2[nH]c(C)c(C)c12
CC#CC(=O)N1CCC(CC1)Nc1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
CN(C)C\C=C\C(=O)N1CC[C@@H](C1)Nc1ccc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
CC#CC(=O)N(C)[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
CCC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
CCC#CC(=O)N(C)[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
CCCC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
CC#CC(=O)N1CCc2c(C1)cccc2-c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |(7.29,-1.93,;5.96,-2.69,;4.62,-3.47,;3.29,-4.23,;3.29,-5.78,;1.95,-3.47,;1.95,-1.93,;.62,-1.15,;-.71,-1.93,;-.71,-3.47,;.62,-4.23,;-2.05,-4.23,;-3.38,-3.47,;-3.38,-1.93,;-2.05,-1.15,;-2.05,.38,;-.71,1.15,;.62,.38,;-.71,2.69,;-2.05,3.47,;-2.05,5,;-.71,5.78,;-3.38,5.78,;-3.38,2.69,;-4.84,3.17,;-5.75,1.93,;-7.29,1.93,;-4.84,.68,;-5.3,-.65,;-3.38,1.15,)|
CCN([C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12)C(=O)C#CC |r|
Cc1[nH]c2c(cc(F)c(-c3ccc4CCN(Cc4c3)C(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(cc(F)c(-c3cccc4CN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.4,1.15,;-4.86,1.15,;-3.95,2.4,;-2.49,1.93,;-1.15,2.69,;.18,1.93,;.18,.38,;1.51,-.38,;-1.15,-.38,;-1.15,-1.93,;-2.49,-2.69,;-2.49,-4.23,;-1.15,-5,;.18,-4.23,;1.64,-4.71,;2.55,-3.47,;1.64,-2.22,;.18,-2.69,;4.09,-3.47,;4.86,-2.13,;4.86,-4.8,;6.4,-4.8,;-2.49,.38,;-3.95,-.09,;-4.41,-1.42,;-1.15,4.23,;.18,5,;-2.49,5,)|
CC#CC(=O)N1Cc2cccc(c2C1)-c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |(6.4,-6.24,;5.63,-4.9,;4.86,-3.57,;4.09,-2.23,;4.86,-.9,;2.55,-2.23,;1.64,-3.48,;.18,-3,;-1.15,-3.77,;-2.49,-3,;-2.49,-1.46,;-1.15,-.69,;.18,-1.46,;1.64,-.99,;-1.15,.85,;.18,1.62,;1.51,.85,;.18,3.16,;-1.15,3.93,;-1.15,5.47,;.18,6.24,;-2.49,6.24,;-2.49,3.16,;-3.95,3.63,;-4.86,2.39,;-6.4,2.39,;-3.95,1.14,;-4.41,-.19,;-2.49,1.62,)|
CC#CC(=O)N1CCc2ccc(cc2C1)-c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
CC#CC(=O)N[C@H]1CCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#CC3CC3)c2c1C)C(N)=O |r|
CC#CC(=O)N1Cc2ccc(cc2C1)-c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
CN(C1CCCN(C1)c1ccc(C(N)=O)c2[nH]c(C)c(C)c12)S(=O)(=O)C=C
Cc1[nH]c2c(ccc(N3CCCC(C3)NS(=O)(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(N3CCC(C3)NS(=O)(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |r|
Cc1[nH]c2c(ccc(N3CC[C@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |r|
Cc1[nH]c2c(ccc(N3CCC[C@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |r|
Cc1[nH]c2c(ccc(NC3CCN(C3)S(=O)(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(N3CCN(CC3)S(=O)(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |r|
Cc1[nH]c2c(cc(F)c(N[C@H]3CCN(C3)C#N)c2c1C)C(N)=O |r|
Cc1[nH]c2c(ccc(C3CCCN(C3)C#N)c2c1C)C(N)=O
Cc1[nH]c2c(ccc(C3CCN(C3)C#N)c2c1C)C(N)=O
Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC#N)c2c1C)C(N)=O |r|
Cc1[nH]c2c(cc(F)c(NC3CCN(CC3)C#N)c2c1C)C(N)=O
Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C#N)c2c1C)C(N)=O |(-5.96,1.54,;-4.42,1.54,;-3.51,2.79,;-2.05,2.31,;-.71,3.08,;.62,2.31,;.62,.77,;1.95,,;-.71,,;-.71,-1.54,;-2.05,-2.31,;-2.05,-3.85,;-.71,-4.62,;.62,-3.85,;1.95,-4.62,;3.29,-3.85,;3.29,-2.31,;1.95,-1.54,;.62,-2.31,;4.62,-4.62,;5.96,-5.39,;-2.05,.77,;-3.51,.29,;-3.96,-1.04,;-.71,4.62,;.62,5.39,;-2.05,5.39,)|
Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.39,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.95,-.65,;-1.38,5,;-.05,5.78,;-2.71,5.78,)|
Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCOc34)C(=O)C=C)c2c1C)C(N)=O |(-4.62,3.08,;-3.08,3.08,;-2.18,4.33,;-.71,3.85,;.62,4.62,;1.95,3.85,;1.95,2.31,;3.29,1.54,;.62,1.54,;.62,,;-.71,-.77,;-.71,-2.31,;.62,-3.08,;1.95,-2.31,;3.29,-3.08,;4.62,-2.31,;4.62,-.77,;3.29,,;1.95,-.77,;3.29,-4.62,;1.95,-5.39,;4.62,-5.39,;4.62,-6.93,;-.71,2.31,;-2.18,1.83,;-2.95,.5,;.62,6.16,;1.95,6.93,;-.71,6.93,)|
Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C#N)c2c1C)C(N)=O |(-5.96,1.54,;-4.42,1.54,;-3.51,2.79,;-2.05,2.31,;-.71,3.08,;.62,2.31,;.62,.77,;1.95,,;-.71,,;-.71,-1.54,;-2.05,-2.31,;-2.05,-3.85,;-.71,-4.62,;.62,-3.85,;1.95,-4.62,;3.29,-3.85,;3.29,-2.31,;1.95,-1.54,;.62,-2.31,;4.62,-4.62,;5.96,-5.39,;-2.05,.77,;-3.51,.29,;-4.28,-1.04,;-.71,4.62,;.62,5.39,;-2.05,5.39,)|
Cc1[nH]c2c(cc(F)c(N3CC4CCCN(C4C3)C(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(cc(F)c(-c3cccc4N(CC5CC5c34)C(=O)C=C)c2c1C)C(N)=O |(-4.62,3.08,;-3.08,3.08,;-2.18,4.33,;-.71,3.85,;.62,4.62,;1.95,3.85,;1.95,2.31,;3.29,1.54,;.62,1.54,;.62,,;-.71,-.77,;-.71,-2.31,;.62,-3.08,;1.95,-2.31,;3.29,-3.08,;4.62,-2.31,;4.62,-.77,;4.62,.77,;3.29,,;1.95,-.77,;3.29,-4.62,;1.95,-5.39,;4.62,-5.39,;4.62,-6.93,;-.71,2.31,;-2.18,1.83,;-2.95,.5,;.62,6.16,;1.95,6.93,;-.71,6.93,)|
Cc1[nH]c2c(cc(F)c(N3CCC4CN(CC34)C(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(cc(F)c(N3CC4CCN(C4C3)C(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CC(F)c34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;2.06,.18,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.63,-.65,;-1.38,5,;-.05,5.78,;-2.71,5.78,)|
CC#CC(=O)N1CCCC2CN(CC12)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
CC#CC(=O)N1CC2CCN(C2C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
CC#CC(=O)N1CCC2CN(CC12)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
Cc1[nH]c2c(cc(F)c(N3CC4CCCN(C#N)C4C3)c2c1C)C(N)=O
Cc1[nH]c2c(cc(F)c(Cc3ccc(C=N)nc3)c2c1C)C(N)=O
CC#Cc1ccc(Cc2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)cn1
CC(c1ccc(C=C)nc1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
Cc1[nH]c2c(cc(F)c(Cc3ccnc(C=C)c3)c2c1C)C(N)=O
Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCCOc34)C(=O)C=C)c2c1C)C(N)=O |(-4.98,2.54,;-3.44,2.54,;-2.53,3.78,;-1.07,3.31,;.26,4.08,;1.6,3.31,;1.6,1.77,;2.93,1,;.26,1,;.26,-.54,;-1.07,-1.31,;-1.07,-2.85,;.26,-3.62,;1.6,-2.85,;2.8,-3.81,;4.3,-3.47,;4.97,-2.08,;4.3,-.69,;2.8,-.35,;1.6,-1.31,;2.4,-5.3,;.92,-5.7,;3.49,-6.39,;4.98,-5.99,;-1.07,1.77,;-2.53,1.29,;-2.99,-.04,;.26,5.62,;1.6,6.39,;-1.07,6.39,)|
Cc1[nH]c2c(cc(F)c(-c3cc(F)cc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-4.05,-4.23,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.63,-.65,;-1.38,5,;-.05,5.78,;-2.71,5.78,)|
Cc1[nH]c2c(cc(F)c(-c3ccc4CN(CCc4c3)C(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCc34)C(=O)C=C)c2c1C)C(N)=O |(-5.51,2.3,;-3.97,2.3,;-3.06,3.54,;-1.6,3.07,;-.26,3.84,;1.07,3.07,;1.07,1.53,;2.4,.76,;-.26,.76,;-.26,-.78,;-1.6,-1.55,;-1.6,-3.09,;-.26,-3.86,;1.07,-3.09,;2.53,-3.57,;3.44,-2.32,;2.53,-1.08,;1.07,-1.55,;2.93,-5.06,;1.84,-6.15,;4.42,-5.46,;5.51,-4.37,;-1.6,1.53,;-3.06,1.05,;-3.52,-.28,;-.26,5.38,;1.07,6.15,;-1.6,6.15,)|
Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCSc34)C(=O)C=C)c2c1C)C(N)=O |(-5.29,2.31,;-3.75,2.31,;-2.84,3.56,;-1.38,3.08,;-.05,3.85,;1.29,3.08,;1.29,1.54,;2.62,.77,;-.05,.77,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;1.29,-3.08,;2.62,-3.85,;3.96,-3.08,;3.96,-1.54,;2.62,-.77,;1.29,-1.54,;2.62,-5.39,;1.29,-6.16,;3.96,-6.16,;5.29,-5.39,;-1.38,1.54,;-2.84,1.06,;-3.3,-.27,;-.05,5.39,;1.29,6.16,;-1.38,6.16,)|
Cc1c([nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c12)C(N)=O)C(F)(F)F |(-3.86,-.65,;-3.41,.68,;-4.31,1.92,;-3.41,3.17,;-1.94,2.69,;-.61,3.47,;.72,2.69,;.72,1.15,;2.06,.38,;-.61,.38,;-.61,-1.15,;-1.94,-1.93,;-1.94,-3.47,;-.61,-4.23,;.72,-3.47,;2.06,-4.23,;3.39,-3.47,;3.39,-1.93,;2.06,-1.15,;.72,-1.93,;4.73,-4.23,;4.73,-5.78,;6.06,-3.47,;7.39,-4.23,;-1.94,1.15,;-.61,5,;.72,5.78,;-1.94,5.78,;-5.85,1.92,;-7.39,1.92,;-5.85,.38,;-5.85,3.46,)|
CC#CC(=O)N(C1CC1)[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
CC#CC(=O)N1CCN(CC1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
Cc1[nH]c2c(cc(F)c(N3CCN(CC3)C(=O)C=C)c2c1C)C(N)=O
CC#CC(=O)N1CCc2cc(ccc2C1)-c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)|
Cc1[nH]c2c(cc(F)c(-c3ccc4CCN(C(=O)C=C)c4c3)c2c1C)C(N)=O
Cc1[nH]c2c(C(N)=O)c(F)cc(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C
Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C1CC1)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.58,-.81,;-5.67,-1.9,;-4.18,-2.3,;-1.38,5,;-.05,5.78,;-2.71,5.78,)|
Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1-c1ccc(F)cc1)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.58,-.81,;-6.06,-1.21,;-6.46,-2.69,;-5.37,-3.78,;-5.77,-5.27,;-3.89,-3.38,;-3.49,-1.9,;-1.38,5,;-.05,5.78,;-2.71,5.78,)|
Cc1c([nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c12)C(N)=O)-c1ccc(F)cc1 |(-2.32,-.65,;-1.87,.68,;-2.77,1.93,;-1.87,3.17,;-.4,2.69,;.93,3.47,;2.26,2.69,;2.26,1.15,;3.6,.38,;.93,.38,;.93,-1.15,;-.4,-1.93,;-.4,-3.47,;.93,-4.23,;2.26,-3.47,;3.6,-4.23,;4.93,-3.47,;4.93,-1.93,;3.6,-1.15,;2.26,-1.93,;6.27,-4.23,;6.27,-5.78,;7.6,-3.47,;8.93,-4.23,;-.4,1.15,;.93,5,;2.26,5.78,;-.4,5.78,;-4.31,1.93,;-5.08,3.26,;-6.62,3.26,;-7.39,1.93,;-8.93,1.93,;-6.62,.59,;-5.08,.59,)|
Cc1[nH]c2c(cc(F)c(C3=CCCN(C3)C(=O)C=C)c2c1C)C(N)=O |t:9|
Cc1[nH]c2c(cc(F)c(C3CCCN(C3)C(=O)C=C)c2c1C)C(N)=O
CC#CC(=O)N1CCCC(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
Cc1[nH]c2c(cc(F)c(Cc3cccc(C=C)n3)c2c1C)C(N)=O
Cc1[nH]c2c(cc(F)c(Cc3cnc(C=C)c(F)c3)c2c1C)C(N)=O
Cc1[nH]c2c(cc(I)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.95,-.65,;-1.38,5,;-.05,5.78,;-2.71,5.78,)|
Cc1[nH]c2c(ncc(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(nc(C)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.39,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.95,-.65,;-1.38,5,;-.05,5.78,;-2.71,5.78,)|
Cc1[nH]c2c(cc(C#N)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.46,;-.05,2.69,;-.05,1.15,;1.29,.38,;2.62,-.39,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.95,-.65,;-1.38,5,;-.05,5.78,;-2.71,5.78,)|
Cc1c([nH]c2c(cc(F)c(CC3CCN(CC3)C(=O)C=C)c12)C(N)=O)C(F)(F)F
Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CC(F)(F)c34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.92,;-5.08,1.92,;-4.18,3.17,;-2.71,2.69,;-1.38,3.46,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.16,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.24,;-.05,-3.47,;1.29,-4.24,;2.62,-3.47,;2.62,-1.93,;1.29,-1.16,;.52,.18,;2.06,.18,;-.05,-1.93,;3.96,-4.24,;3.96,-5.77,;5.29,-3.47,;6.62,-4.24,;-2.71,1.15,;-4.18,.68,;-4.95,-.65,;-1.38,5,;-.05,5.77,;-2.71,5.77,)|
Cc1[nH]c2c(cc(F)c(C3=CN(CCC3)C(=O)C=C)c2c1C)C(N)=O |t:9|
Cc1[nH]c2c(cc(F)c(C3=CCN(C3)C(=O)C=C)c2c1C)C(N)=O |t:9|
Cc1[nH]c2c(cc(F)c(C3C=CCN3C(=O)C=C)c2c1C)C(N)=O |c:10|
Cc1[nH]c2c(cc(F)c(C3=CCN(CC3)C(=O)C=C)c2c1C)C(N)=O |t:9|
Cc1c([nH]c2c(cc(F)c(C3=CCN(C3)C(=O)C=C)c12)C(N)=O)C(F)(F)F |t:10|
CC#CC(=O)N1CC=C(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |c:7|
Cc1[nH]c2c(cc(Cl)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.63,-.65,;-1.38,5,;-.05,5.78,;-2.71,5.78,)|
Cc1[nH]c2c(ccc(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#C)c2c1C)C(N)=O |r|
CC#CC(=O)N[C@@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
Cc1[nH]c2c(cc(F)c(N3CC4CN(C4C3)C(=O)C=C)c2c1C)C(N)=O
CC#CC(=O)N1CC2CN(CC12)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
Cc1[nH]c2c(cc(F)c(N3CCC4(CCN(C4)C(=O)C=C)C3)c2c1C)C(N)=O
CC#CC(=O)N1CCC2(CCN(C2)c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1
Cc1[nH]c2c(cc(F)c(-c3cccnc3C=C)c2c1C)C(N)=O |(-4.62,1.15,;-3.08,1.15,;-2.18,2.4,;-.71,1.93,;.62,2.69,;1.95,1.93,;1.95,.38,;3.29,-.38,;.62,-.38,;.62,-1.93,;-.71,-2.69,;-.71,-4.23,;.62,-5,;1.95,-4.23,;1.95,-2.69,;3.29,-1.93,;4.62,-2.7,;-.71,.38,;-2.18,-.09,;-2.63,-1.42,;.62,4.23,;1.95,5,;-.71,5,)|
Cc1c([nH]c2c(cc(F)c(Cc3ccc(C=C)nc3)c12)C(N)=O)C(F)(F)F
Cc1c([nH]c2c(cc(F)c(C3CCN(C3)C(=O)C=C)c12)C(N)=O)C(F)(F)F
Cc1[nH]c2c(cc(F)c(C3CCCN3C(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(cc(F)c(C3CCN(C3)C(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(cc(F)c(C3=CCCc4cc(C=C)ncc34)c2c1C)C(N)=O |t:9|
CC#CC(=O)N1CC=C(C1)c1c(F)cc(C(N)=O)c2[nH]c(c(C)c12)C(F)(F)F |c:7|
Cc1[nH]c2c(cc(F)c(C=C3CCN(CC3)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-.05,-1.93,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.63,-.65,;-1.38,5,;-.05,5.78,;-2.71,5.78,)|
Cc1[nH]c2c(cc(F)c(CC3CCN(CC3)C(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(cc(F)c(CC3CCN(C3)C(=O)C=C)c2c1C)C(N)=O
CC#CC(=O)N1CCC(Cc2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)CC1
CC#CC(=O)N1CCC(CC1)=Cc1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |(7.29,-1.93,;5.96,-2.69,;4.62,-3.47,;3.29,-4.23,;3.29,-5.78,;1.95,-3.47,;.62,-4.23,;-.71,-3.47,;-.71,-1.93,;.62,-1.15,;1.95,-1.93,;-2.05,-1.15,;-2.05,.38,;-.71,1.15,;.62,.38,;-.71,2.69,;-2.05,3.47,;-2.05,5,;-.71,5.78,;-3.38,5.78,;-3.38,2.69,;-4.84,3.17,;-5.75,1.93,;-7.29,1.93,;-4.84,.68,;-5.3,-.65,;-3.38,1.15,)|
CC#CC(=O)N1CCC(Cc2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1
Cc1[nH]c2c(cc(F)c(-c3ccnc(C=C)c3F)c2c1C)C(N)=O |(-4.62,1.15,;-3.08,1.15,;-2.18,2.4,;-.71,1.93,;.62,2.69,;1.95,1.93,;1.95,.38,;3.29,-.38,;.62,-.38,;.62,-1.93,;-.71,-2.69,;-.71,-4.23,;.62,-5,;1.95,-4.23,;3.29,-5,;4.62,-4.23,;1.95,-2.69,;3.29,-1.93,;-.71,.38,;-2.18,-.09,;-2.63,-1.42,;.62,4.23,;1.95,5,;-.71,5,)|
CC(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r,w:4.3|
Nc1nccc2n([C@@H]3CCCN(C3)C(=O)C(=CC3CCOCC3)C#N)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12 |r,w:16.17|
CC1(CCC1)\C=C(\C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r|
CC(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O)N1CCOCC1 |r|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O)N1CCN(CC1)C1COC1 |r,w:3.2|
CC(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O)N1CCN(CC(F)(F)F)CC1 |r,w:2.1|
CN1CCC(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3c(F)cccc3F)cc2)c1=O |r,w:10.10|
Nc1nccc2n([C@@H]3CCCN(C3)C(=O)C(=CC3CCC3)C#N)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12 |r,w:16.17|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)c(F)c2)c1=O)N1CCN(CCO)CC1 |r,w:3.2|
COC(=O)N1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r,w:13.13|
Nc1nccc2n(C[C@@H]3CCCN3C(=O)C(=CC(CCO)CCO)C#N)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12 |r,w:16.17|
CC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H]1Cn1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r|
CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H]1Cn1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O)N1CCN(CC1)C1COC1 |r|
CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O)N1CCOCC1 |r|
COC(=O)N1CCN(CC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H]1Cn1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r|
C\C=C/N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r|
CC#CC(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r|
CN1CCN(CC1=O)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r|
C[C@H]1CN(C[C@@H](C)N1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r,w:11.11|
Nc1nccc2n([C@@H]3CCCN(C3)C(=O)C(=CCC3CCSCC3)C#N)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12 |r,w:16.17|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3c(F)cccc3F)cc2)c1=O)N1CCNC(=O)C1 |r,w:3.2|
C\C=C/N1CCCC1Cn1c2ccnc(N)c2n(-c2ccc(Oc3cccc(F)c3F)cc2)c1=O
CC#CC(=O)N1CCCC1Cn1c2ccnc(N)c2n(-c2ccc(Oc3cccc(F)c3F)cc2)c1=O
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3c(F)cccc3F)cc2)c1=O)N1CCN(CC1)C1COC1 |r,w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3cccc(F)c3F)cc2)c1=O)N1CCN(CC1)C1COC1 |r,w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)c(F)c2)c1=O)N1CCN(CC1)C1COC1 |r,w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2F)c1=O)N1CCN(CC1)C1COC1 |r,w:3.2,wD:13.15,(-3.81,-5.57,;-4.96,-6.6,;-6.1,-7.63,;-3.93,-7.74,;-2.42,-7.42,;-1.39,-8.57,;-.36,-9.71,;-1.94,-5.96,;-2.97,-4.81,;-.44,-5.64,;.59,-6.78,;2.1,-6.46,;2.58,-5,;1.54,-3.85,;.04,-4.17,;2.02,-2.39,;3.49,-1.91,;4.82,-2.68,;6.15,-1.91,;6.15,-.37,;4.82,.4,;4.82,1.94,;3.49,-.37,;2.02,.11,;1.54,1.57,;2.58,2.71,;2.1,4.18,;.59,4.5,;.12,5.96,;1.15,7.11,;.67,8.57,;1.7,9.72,;3.21,9.4,;3.68,7.93,;2.65,6.79,;-.44,3.35,;.04,1.89,;-.99,.75,;1.12,-1.14,;-.42,-1.14,;-5.99,-5.45,;-7.49,-5.77,;-8.52,-4.63,;-8.05,-3.16,;-6.54,-2.84,;-5.51,-3.99,;-9.08,-2.02,;-10.62,-1.94,;-10.54,-.4,;-9,-.48,)|
Cc1cc(ccc1Oc1ccccc1)-n1c2c(N)nccc2n([C@@H]2CCCN(C2)C(=O)C(=CC(C)(C)N2CCN(CC2)C2COC2)C#N)c1=O |r,w:32.36|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3c(F)cccc3F)cc2)c1=O)N1Cc2nncn2C=C1 |r,w:3.2,c:54|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O)N1CCN(CC1)C1(C)COC1 |r,w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O)N1CCN(CC1)C1COC1 |r,w:3.2|
CC1(CCN(CC1)C1COC1)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r,w:11.12|
CN1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r,w:10.10|
CN1CCN(CC1=O)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H]1Cn1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r|
CC(C)(CNC1COC1)\C=C(/C#N)C(=O)N1CCC[C@H]1Cn1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r|
CC1(CCOCC1)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r,w:7.7|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3F)cc2)c1=O)N1CCN(CC1)C1COC1 |r,w:3.2|
Nc1nccc2n([C@@H]3CCCN(C3)C(=O)C(=CC3CCS(=O)CC3)C#N)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12 |r,w:16.17|
CCN1CCN(CC1=O)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r,w:12.12|
Nc1nccc2n([C@@H]3CCCN(C3)C(=O)C(=CC3CC3)C#N)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12 |r,w:16.17|
CC(C)(C)OC(=O)N1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r,w:16.16|
CC(=O)N1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r,w:12.12|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O)N1[C@]23CC[C@@]12COC3 |r,w:3.2|
Nc1nccc2n([C@@H]3CCCN(C3)C(=O)C(=C\C3(CC3)c3ccccc3)\C#N)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12 |r|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O)N1CCNCC1 |r,w:3.2|
CC1(CC1)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r|
CN1CCN(CC1)C(=O)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3c(F)cccc3F)cc2)c1=O |r,w:12.12|
CN(C)C(=O)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r,w:8.7|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O)C(=O)N1CCN(CC1)C1COC1 |r,w:3.2|
Nc1nccc2n([C@@H]3CCCN(C3)C(=O)C(=C\C3CC3(F)F)\C#N)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Nc1nccc2n([C@@H]3CCCN(C3)C(=O)C(=C\C3C4COCC34)\C#N)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12 |r|
CN1CCN(CC1)c1cccc(n1)C(C)(C)\C=C(/C)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r|
C\C(=C/C(C)(C)c1ccccn1)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r|
CN1CCN(CC1)c1ccnc(c1)C(C)(C)\C=C(/C)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r|
CC(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r,w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O)N1CCC(F)(F)C1 |r,w:3.2|
CO[C@H]1CCN(C1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r,w:10.10|
CO[C@@H]1CCN(C1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r,w:10.10|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O)N1CCN2[C@H](CCC2=O)C1 |r,w:3.2|
CO[C@@H]1CCCN1C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r,w:10.10|
CO[C@H]1CCCN1C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r,w:10.10|
CCC1(CCOCC1)\C=C(\C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)c(F)c2)c1=O |r|
COCC1(CCOCC1)\C=C(\C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)c(F)c2)c1=O |r|
CC1NCCCC1n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O
Cn1c2CC(O)Cc3c(cccc3-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)-c2cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O
CN1CCC[C@H]1c1ccc(Nc2cc-3c(CC(O)Cc4c-3cccc4-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)n(C)c2=O)nc1 |r|
CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3cccc4c3C[C@@H](CC5=C4C=C(C(=O)N5C)Nc6ccc(cn6)C(=O)N7CCOCC7)O
Cn1c2C[C@H](O)Cc3c(cccc3-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)-c2cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O |r|
Cn1c2CC(O)Cc3c(cccc3-n3ncc4cccc(F)c4c3=O)-c2cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O
Cn1c2C[C@@H](O)Cc3c(cccc3-n3ncc4cccc(F)c4c3=O)-c2cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O |r|
Cn1c2C[C@H](O)Cc3c(cccc3-n3ncc4cccc(F)c4c3=O)-c2cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O |r|
Nc1c(cnn1-c1ccc(Oc2ccccc2)cc1)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Cc1cc(Oc2ccccc2F)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Cc1cc(Oc2ccccc2)ncc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Nc1c(cnn1-c1ccc(Oc2ccccc2)c(F)c1)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Cc1cc(Oc2ccccc2)c(F)cc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Cc1cc(Oc2ccccc2)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Nc1c(cnn1-c1ccc(Oc2ccccc2)cc1F)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Nc1c(cnn1-c1ccc(Oc2ccccc2F)nc1)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Nc1c(cnn1-c1ccc(Oc2cccc(F)c2F)nc1)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Cc1cc(Oc2ccccn2)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Nc1c(cnn1-c1ccc(Oc2cccc(F)c2F)cc1)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Nc1c(cnn1-c1ccc(Oc2cc(F)ccc2F)nc1)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Nc1c(cnn1-c1ccc(Oc2ccccc2)cc1Cl)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Nc1c(cnn1-c1ccc(Oc2ccccc2F)cc1Cl)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Cc1cc(Oc2cccc(Cl)c2)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Cc1cc(Oc2cccc(Br)c2)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Cc1cc(Oc2cccc(c2)C(C)(C)C)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
COc1ccc(c(C)c1)-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Nc1c(cnn1-c1ccc(Oc2cccc(F)c2F)cc1C#N)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Nc1c(cnn1-c1ccc(Oc2cccc(F)c2F)cc1Br)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Fc1cccc(Oc2ccc3c(c2)c(=O)[nH]c2c(cnn32)C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1F
Cc1cc(Oc2cccc(F)c2F)cc(C)c1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N |(2.59,3.66,;3.68,2.57,;5.17,2.97,;6.26,1.88,;7.75,2.28,;8.84,1.19,;8.44,-.3,;9.53,-1.39,;11.01,-.99,;11.41,.5,;12.9,.9,;10.32,1.59,;10.72,3.07,;5.86,.39,;4.37,-.01,;3.98,-1.5,;3.28,1.08,;1.8,.68,;.55,1.59,;-.69,.68,;-.22,-.78,;-.99,-2.12,;-.22,-3.45,;-2.53,-2.12,;-3.43,-.87,;-4.9,-1.35,;-6.23,-.58,;-7.57,-1.35,;-7.57,-2.89,;-6.23,-3.66,;-4.9,-2.89,;-3.43,-3.36,;-8.9,-.58,;-8.9,.96,;-10.23,-1.35,;-11.57,-.58,;-12.9,-1.35,;-12.9,-2.89,;-11.57,-3.66,;-10.23,-2.89,;1.32,-.78,;2.09,-2.12,)|
COc1nc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(O)=O)c1N
Cc1cc(OCc2ccc(Cl)cc2)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
COc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Nc1c(cnn1-c1ccc(Oc2cccc(F)c2F)cc1O)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Nc1c(cnn1-c1ccc(Oc2cccc(c2)C#N)cc1Cl)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
COC(=O)c1ccc2[nH]c(cc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2cccc(c2)C#N)cc1C
Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(O)=O)c1N
Nc1c(cnn1-c1ccc(Oc2cccc(c2)C#N)cc1Cl)C(=O)c1cc2cc(Br)ccc2[nH]1
Nc1c(cnn1-c1ccc(Oc2cccc(c2)C#N)cc1Cl)C(=O)c1cc2cc(ccc2[nH]1)C(O)=O
COCCNC(=O)c1ccc2[nH]c(cc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2cccc(F)c2F)cc1C
Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)NCCN)c1N
NC(=O)c1cccc(Oc2ccc(c(Cl)c2)-n2ncc(C(=O)c3cc4cc(ccc4[nH]3)C(=O)N3CCOCC3)c2N)c1
COC(=O)c1ccc2[nH]c(nc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2cccc(c2)C#N)cc1C
Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2nc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
COCCNC(=O)c1ccc2[nH]c(nc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2cccc(c2)C#N)cc1C
Nc1c(cnn1-c1ccc(Oc2cccc(c2)C#N)cc1Cl)C(=O)c1cc2cc(ccc2[nH]1)C(=O)NC#N
Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2nc3cc(ccc3[nH]2)C(O)=O)c1N
Cc1cc(Oc2ccccc2C#N)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
CN1CCN(CC1)C(=O)c1ccc2[nH]c(cc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2cccc(c2)C#N)cc1Cl
Nc1c(cnn1-c1ccc(Oc2cccc(c2)C#N)cc1Cl)C(=O)c1cc2cc(ccc2[nH]1)C(=O)NS(=O)(=O)C1CC1
CN(C)C(=O)c1ccccc1Oc1ccc(c(Cl)c1)-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCN(C)CC2)c1N
CN(C)C(=O)c1cccc(Oc2ccc(c(Cl)c2)-n2ncc(C(=O)c3cc4cc(ccc4[nH]3)C(=O)N3CCN(C)CC3)c2N)c1
Nc1c(cnn1-c1ccc(Oc2cccc(C#N)c2F)cc1Cl)C(=O)c1cc2cc(ccc2[nH]1)C(O)=O
CN(C)CCNC(=O)c1ccc2[nH]c(cc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2ccccc2C(=O)N(C)C)cc1Cl
CN(C)C1CCN(C1)C(=O)c1ccc2[nH]c(cc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2ccccc2C(=O)N(C)C)cc1Cl
CN(C)C(=O)c1ccccc1Oc1ccc(c(Cl)c1)-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCNCC2)c1N
CN(C)C(=O)c1ccccc1Oc1ccc(c(Cl)c1)-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCC(C2)N(C)C(=O)OC(C)(C)C)c1N
CNC1CCN(C1)C(=O)c1ccc2[nH]c(cc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2ccccc2C(=O)N(C)C)cc1Cl
CN(C)C(=O)c1ccccc1Oc1ccc(c(Cl)c1)-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)NC2CCN(C)C2)c1N
CN(C)C(=O)c1ccccc1Oc1ccc(c(Cl)c1)-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)NCCN(C)C(=O)OC(C)(C)C)c1N
CNCCNC(=O)c1ccc2[nH]c(cc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2ccccc2C(=O)N(C)C)cc1Cl
CN(C)C(=O)c1ccccc1Oc1ccc(c(Cl)c1)-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
CNC1CCN(CC1)C(=O)c1ccc2[nH]c(cc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2ccccc2C(=O)N(C)C)cc1Cl
CN(C)C(=O)c1ccccc1Oc1ccc(c(Cl)c1)-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(O)=O)c1N
Cc1c(cccc1-n1c(=O)[nH]c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.89,,;1.55,-.77,;.22,,;-1.12,-.77,;-1.12,-2.31,;.22,-3.08,;1.55,-2.31,;2.89,-3.08,;2.89,-4.62,;1.55,-5.39,;4.22,-5.39,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;.22,1.54,;1.55,2.31,;1.55,3.85,;.22,4.62,;.22,6.16,;1.55,6.93,;-1.12,6.93,;-1.12,3.85,;-2.58,4.33,;-3.49,3.08,;-5.02,2.92,;-5.64,1.51,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-1.12,2.31,;-7.13,1.11,;-7.53,-.37,;-6.04,.02,;-8.22,2.2,)|
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)B1OC(C)(C)C(C)(C)O1 |(-.42,1.09,;-1.51,-0,;-2.85,.77,;-4.18,-0,;-4.18,-1.54,;-2.85,-2.31,;-1.51,-1.54,;-.18,-2.31,;-.18,-3.85,;-1.51,-4.62,;1.16,-4.62,;1.16,-6.16,;2.49,-3.85,;3.82,-4.62,;3.82,-6.16,;5.16,-3.85,;5.16,-2.31,;3.82,-1.54,;2.49,-2.31,;1.16,-1.54,;1.16,-0,;-2.85,2.31,;-4.09,3.21,;-3.62,4.68,;-5.16,4.68,;-4.01,6.16,;-2.08,4.68,;-.54,4.68,;-1.68,6.16,;-1.6,3.21,)|
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(15.71,-28.16,;14.37,-28.91,;13.05,-28.13,;11.71,-28.87,;11.68,-30.41,;13.01,-31.2,;14.35,-30.44,;15.68,-31.22,;15.66,-32.76,;14.31,-33.51,;16.97,-33.55,;16.95,-35.09,;18.31,-32.8,;19.63,-33.58,;19.61,-35.12,;20.98,-32.83,;20.99,-31.29,;19.67,-30.51,;18.34,-31.26,;17.01,-30.47,;17.03,-28.93,;13.08,-26.59,;14.43,-25.84,;14.45,-24.29,;13.12,-23.51,;13.14,-21.97,;14.48,-21.21,;11.82,-21.18,;11.78,-24.26,;10.31,-23.75,;9.38,-24.99,;7.85,-25.13,;7.2,-26.52,;8.07,-27.79,;9.61,-27.66,;10.27,-26.26,;11.75,-25.8,;5.66,-26.64,;4.26,-25.99,;5.53,-25.1,;5.01,-28.04,)|
Cc1c(Br)cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O |(-.91,3.78,;-2,2.69,;-3.33,3.47,;-3.33,5,;-4.67,2.69,;-4.67,1.15,;-3.33,.38,;-2,1.15,;-.67,.39,;-.67,-1.15,;-2,-1.93,;.67,-1.92,;.67,-3.46,;2,-1.15,;3.33,-1.93,;3.33,-3.47,;4.67,-1.15,;4.67,.38,;3.33,1.15,;2,.39,;.67,1.16,;.67,2.69,)|
COc1cccc2c1n(C)c(=O)n(-c1cccc(Br)c1C)c2=O |(4.67,-4.62,;3.33,-3.85,;3.33,-2.31,;4.67,-1.54,;4.67,,;3.33,.77,;2,,;2,-1.54,;.67,-2.31,;.67,-3.85,;-.67,-1.54,;-2,-2.31,;-.67,,;-2,.77,;-3.33,,;-4.67,.77,;-4.67,2.31,;-3.33,3.08,;-3.33,4.62,;-2,2.31,;-.91,3.4,;.67,.77,;.67,2.31,)|
COc1cccc2c1n(C)c(=O)n(-c1cccc(c1C)-c1ccc(C(N)=O)c3[nH]c4cc(ccc4c13)C(C)(C)O)c2=O |(8.25,-7.31,;6.91,-6.54,;6.91,-5,;8.25,-4.23,;8.25,-2.69,;6.91,-1.92,;5.58,-2.69,;5.58,-4.23,;4.25,-5,;4.25,-6.54,;2.91,-4.23,;1.58,-5,;2.91,-2.69,;1.58,-1.93,;.24,-2.69,;-1.09,-1.92,;-1.09,-.38,;.24,.38,;1.58,-.38,;1.98,1.1,;.24,1.93,;1.58,2.69,;1.58,4.23,;.24,5,;.24,6.54,;1.58,7.31,;-1.09,7.31,;-1.09,4.23,;-2.55,4.71,;-3.46,3.47,;-4.99,3.3,;-5.62,1.9,;-4.71,.65,;-3.18,.81,;-2.55,2.22,;-1.09,2.69,;-7.16,1.9,;-8.25,.81,;-6.76,.41,;-7.93,3.23,;4.25,-1.93,;4.25,-.38,)|
Cn1c2ccccc2\c(=N\c2cccc(Br)c2Cl)oc1=O
Cc1c(cccc1-n1c(=O)ccn(-c2ccc(F)cc2)c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(1.14,-.21,;.37,-1.54,;-.97,-.77,;-2.3,-1.54,;-2.3,-3.08,;-.97,-3.85,;.37,-3.08,;1.7,-3.85,;1.7,-5.39,;.37,-6.16,;3.03,-6.16,;4.37,-5.39,;4.37,-3.85,;5.7,-3.08,;7.03,-3.85,;8.37,-3.08,;8.37,-1.54,;9.7,-.77,;7.03,-.77,;5.7,-1.54,;3.03,-3.08,;3.03,-1.54,;-.97,.77,;.37,1.54,;.37,3.08,;-.97,3.85,;-.97,5.39,;.37,6.16,;-2.3,6.16,;-2.3,3.08,;-3.77,3.56,;-4.67,2.31,;-6.2,2.15,;-6.83,.74,;-5.92,-.5,;-4.39,-.34,;-3.77,1.06,;-2.3,1.54,;-8.37,.74,;-8.37,2.28,;-9.7,1.51,;-9.14,-.59,)|
COc1cccn2c1cc(=O)n(-c1cccc(Br)c1C)c2=O |(4.67,-4.62,;3.33,-3.85,;3.33,-2.31,;4.67,-1.54,;4.67,,;3.33,.77,;2,,;2,-1.54,;.67,-2.31,;-.67,-1.54,;-2,-2.31,;-.67,,;-2,.77,;-3.33,,;-4.67,.77,;-4.67,2.31,;-3.33,3.08,;-3.33,4.62,;-2,2.31,;-.67,3.08,;.67,.77,;.67,2.31,)|
COc1ccn2c(c1)cc(=O)n(-c1cccc(Br)c1C)c2=O |(6,-2.69,;4.67,-3.46,;3.33,-2.69,;3.33,-1.15,;2,-.38,;.67,-1.15,;.67,-2.69,;2,-3.46,;-.67,-3.47,;-2,-2.69,;-3.33,-3.47,;-2,-1.15,;-3.33,-.38,;-4.67,-1.15,;-6,-.38,;-6,1.15,;-4.67,1.93,;-4.67,3.47,;-3.33,1.15,;-2,1.93,;-.67,-.38,;-.67,1.15,)|
COc1cccn2c1cc(=O)n(-c1cccc(c1C)-c1ccc(C(N)=O)c3[nH]c4cc(ccc4c13)C(C)(C)O)c2=O |(8.37,-7.31,;7.03,-6.54,;7.03,-5,;8.37,-4.23,;8.37,-2.69,;7.03,-1.92,;5.7,-2.69,;5.7,-4.23,;4.37,-5,;3.03,-4.23,;1.7,-5,;3.03,-2.69,;1.7,-1.93,;.37,-2.69,;-.97,-1.93,;-.97,-.38,;.37,.38,;1.7,-.38,;2.47,.95,;.37,1.92,;1.7,2.69,;1.7,4.23,;.37,5,;.37,6.54,;1.7,7.31,;-.97,7.31,;-.97,4.23,;-2.43,4.71,;-3.34,3.47,;-4.87,3.3,;-5.49,1.9,;-4.59,.65,;-3.06,.81,;-2.43,2.22,;-.97,2.69,;-7.03,1.9,;-8.37,1.13,;-6.64,.41,;-7.8,3.23,;4.37,-1.93,;4.37,-.38,)|
Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)B1OC(C)(C)C(C)(C)O1 |(-.18,.84,;-1.51,.07,;-2.85,.84,;-4.18,.07,;-4.18,-1.47,;-2.85,-2.24,;-1.51,-1.47,;-.18,-2.24,;-.18,-3.78,;-1.51,-4.55,;1.16,-4.55,;2.49,-3.78,;3.82,-4.55,;3.82,-6.09,;5.16,-3.78,;5.16,-2.24,;3.82,-1.47,;2.49,-2.24,;1.16,-1.47,;1.16,.07,;-2.85,2.38,;-4.09,3.29,;-3.62,4.75,;-5.16,4.75,;-4.39,6.09,;-2.08,4.75,;-1.31,6.09,;-.54,4.75,;-1.6,3.29,)|
Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.1,10.61,;1.7,9.12,;.37,9.89,;-.97,9.12,;-.97,7.58,;.37,6.81,;1.7,7.58,;3.03,6.81,;3.03,5.27,;1.7,4.5,;4.37,4.5,;5.7,5.27,;7.03,4.5,;7.03,2.96,;8.37,5.27,;8.37,6.81,;7.03,7.58,;5.7,6.81,;4.37,7.58,;4.37,9.12,;.37,11.43,;1.7,12.2,;1.7,13.74,;.37,14.51,;.37,16.05,;1.7,16.82,;-.97,16.82,;-.97,13.74,;-2.43,14.22,;-3.34,12.97,;-4.87,12.81,;-5.49,11.4,;-4.59,10.16,;-3.06,10.32,;-2.43,11.73,;-.97,12.2,;-7.03,11.4,;-8.37,10.63,;-6.64,9.92,;-7.8,12.74,)|
Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.1,.72,;1.7,-.77,;.37,,;-.97,-.77,;-.97,-2.31,;.37,-3.08,;1.7,-2.31,;3.03,-3.08,;3.03,-4.62,;1.7,-5.39,;4.37,-5.39,;5.7,-4.62,;7.03,-5.39,;7.03,-6.93,;8.37,-4.62,;8.37,-3.08,;7.03,-2.31,;5.7,-3.08,;4.37,-2.31,;4.37,-.77,;.37,1.54,;1.7,2.31,;1.7,3.85,;.37,4.62,;.37,6.16,;1.7,6.93,;-.97,6.93,;-.97,3.85,;-2.43,4.33,;-3.34,3.08,;-4.87,2.92,;-5.49,1.51,;-4.59,.27,;-3.06,.43,;-2.43,1.83,;-.97,2.31,;-7.03,1.51,;-8.37,.74,;-6.64,.02,;-7.8,2.85,)|
Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(NC(=O)C(C)(C)C)ccc3c12 |(3.73,.56,;2.96,-.77,;1.62,,;.29,-.77,;.29,-2.31,;1.62,-3.08,;2.96,-2.31,;4.29,-3.08,;4.29,-4.62,;2.96,-5.39,;5.63,-5.39,;6.96,-4.62,;8.29,-5.39,;8.29,-6.93,;9.63,-4.62,;9.63,-3.08,;8.29,-2.31,;6.96,-3.08,;5.63,-2.31,;5.63,-.77,;1.62,1.54,;2.96,2.31,;2.96,3.85,;1.62,4.62,;1.62,6.16,;2.96,6.93,;.29,6.93,;.29,3.85,;-1.17,4.33,;-2.08,3.08,;-3.61,2.92,;-4.24,1.51,;-5.78,1.51,;-6.55,2.85,;-5.78,4.18,;-8.09,2.85,;-9.18,3.93,;-9.63,2.85,;-8.86,1.51,;-3.33,.27,;-1.8,.43,;-1.17,1.83,;.29,2.31,)|
Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(CCO)ccc3c12 |(2.96,.56,;2.19,-.77,;.85,,;-.48,-.77,;-.48,-2.31,;.85,-3.08,;2.19,-2.31,;3.52,-3.08,;3.52,-4.62,;2.19,-5.39,;4.86,-5.39,;6.19,-4.62,;7.52,-5.39,;7.52,-6.93,;8.86,-4.62,;8.86,-3.08,;7.52,-2.31,;6.19,-3.08,;4.86,-2.31,;4.86,-.77,;.85,1.54,;2.19,2.31,;2.19,3.85,;.85,4.62,;.85,6.16,;2.19,6.93,;-.48,6.93,;-.48,3.85,;-1.94,4.33,;-2.85,3.08,;-4.38,2.92,;-5.01,1.51,;-6.54,1.35,;-7.44,2.6,;-8.98,2.44,;-4.1,.27,;-2.57,.43,;-1.94,1.83,;-.48,2.31,)|
Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(CCO)ccc3c12 |(2.96,.56,;2.19,-.77,;.85,,;-.48,-.77,;-.48,-2.31,;.85,-3.08,;2.19,-2.31,;3.52,-3.08,;3.52,-4.62,;2.19,-5.39,;4.86,-5.39,;6.19,-4.62,;7.52,-5.39,;7.52,-6.93,;8.86,-4.62,;8.86,-3.08,;7.52,-2.31,;6.19,-3.08,;4.86,-2.31,;4.86,-.77,;.85,1.54,;2.19,2.31,;2.19,3.85,;.85,4.62,;.85,6.16,;2.19,6.93,;-.48,6.93,;-.48,3.85,;-1.94,4.33,;-2.85,3.08,;-4.38,2.92,;-5.01,1.51,;-6.54,1.35,;-7.44,2.6,;-8.98,2.44,;-4.1,.27,;-2.57,.43,;-1.94,1.83,;-.48,2.31,)|
Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)B1OC(C)(C)C(C)(C)O1 |(-.42,1.16,;-1.51,.07,;-2.85,.84,;-4.18,.07,;-4.18,-1.47,;-2.85,-2.24,;-1.51,-1.47,;-.18,-2.24,;-.18,-3.78,;-1.51,-4.55,;1.15,-4.55,;2.49,-3.78,;3.82,-4.55,;3.82,-6.09,;5.16,-3.78,;5.16,-2.24,;3.82,-1.47,;2.49,-2.24,;1.16,-1.47,;1.16,.07,;-2.85,2.38,;-4.09,3.29,;-3.62,4.75,;-5.16,4.75,;-4.39,6.09,;-2.08,4.75,;-.54,4.75,;-1.31,6.09,;-1.6,3.29,)|
Cc1c(cccc1-n1c(=O)cc2sccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.23,-.77,;1.9,-1.54,;.57,-.77,;-.77,-1.54,;-.77,-3.08,;.57,-3.85,;1.9,-3.08,;3.23,-3.85,;3.23,-5.39,;1.9,-6.16,;4.57,-6.16,;5.9,-5.39,;7.37,-5.87,;8.27,-4.62,;7.37,-3.37,;5.9,-3.85,;4.57,-3.08,;4.57,-1.54,;.57,.77,;1.9,1.54,;1.9,3.08,;.57,3.85,;.57,5.39,;1.9,6.16,;-.77,6.16,;-.77,3.08,;-2.23,3.56,;-3.14,2.31,;-4.67,2.15,;-5.3,.74,;-4.39,-.5,;-2.86,-.34,;-2.23,1.06,;-.77,1.54,;-6.78,.34,;-7.18,-1.14,;-8.27,-.06,;-7.87,1.43,)|
Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.08,,;1.75,-.77,;.42,,;-.92,-.77,;-.92,-2.31,;.42,-3.08,;1.75,-2.31,;3.08,-3.08,;3.08,-4.62,;1.75,-5.39,;4.42,-5.39,;5.75,-4.62,;7.09,-5.39,;7.09,-6.93,;8.42,-4.62,;8.42,-3.08,;7.09,-2.31,;5.75,-3.08,;4.42,-2.31,;4.42,-.77,;.42,1.54,;1.75,2.31,;1.75,3.85,;.42,4.62,;.42,6.16,;1.75,6.93,;-.92,6.93,;-.92,3.85,;-2.38,4.33,;-3.29,3.08,;-4.82,2.92,;-5.44,1.51,;-4.54,.27,;-3.01,.43,;-2.38,1.83,;-.92,2.31,;-6.93,1.11,;-7.33,-.37,;-8.42,.71,;-8.02,2.2,)|
Cc1cc(c(C)c2[nH]c3c(ccc(Br)c3c12)C(N)=O)C(C)(C)O
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)B1OC(C)(C)C(C)(C)O1 |(-.08,9.2,;-1.42,8.43,;-2.75,9.2,;-4.08,8.43,;-4.08,6.89,;-2.75,6.12,;-1.42,6.89,;-.08,6.12,;-.08,4.58,;-1.42,3.81,;1.25,3.81,;1.25,2.27,;2.58,4.58,;3.92,3.81,;3.92,2.27,;5.25,4.58,;5.25,6.12,;3.92,6.89,;2.58,6.12,;1.25,6.89,;1.25,8.43,;-2.75,10.74,;-4,11.64,;-3.52,13.11,;-4.29,14.44,;-5.01,13.5,;-1.98,13.11,;-1.98,14.65,;-.49,13.5,;-1.5,11.64,)|
Cc1cc(cc2[nH]c3c(ccc(-c4cccc(c4C)-n4c(=O)n(C)c5c(F)cccc5c4=O)c3c12)C(N)=O)C(C)(C)O |(-3.01,-1.11,;-3.01,.43,;-4.54,.27,;-5.44,1.51,;-4.82,2.92,;-3.29,3.08,;-2.38,4.33,;-.92,3.85,;.42,4.62,;1.75,3.85,;1.75,2.31,;.42,1.54,;.42,,;-.92,-.77,;-.92,-2.31,;.42,-3.08,;1.75,-2.31,;1.75,-.77,;3.08,,;3.08,-3.08,;3.08,-4.62,;1.75,-5.39,;4.42,-5.39,;4.42,-6.93,;5.75,-4.62,;7.09,-5.39,;7.09,-6.93,;8.42,-4.62,;8.42,-3.08,;7.09,-2.31,;5.75,-3.08,;4.42,-2.31,;4.42,-.77,;-.92,2.31,;-2.38,1.83,;.42,6.16,;1.75,6.93,;-.92,6.93,;-6.93,1.11,;-7.33,-.37,;-8.42,.71,;-8.02,2.2,)|
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3c(C)c(ccc3c12)C(C)(C)O |(3.08,,;1.75,-.77,;.42,,;-.92,-.77,;-.92,-2.31,;.42,-3.08,;1.75,-2.31,;3.08,-3.08,;3.08,-4.62,;1.75,-5.39,;4.42,-5.39,;4.42,-6.93,;5.75,-4.62,;7.09,-5.39,;7.09,-6.93,;8.42,-4.62,;8.42,-3.08,;7.09,-2.31,;5.75,-3.08,;4.42,-2.31,;4.42,-.77,;.42,1.54,;1.75,2.31,;1.75,3.85,;.42,4.62,;.42,6.16,;1.75,6.93,;-.92,6.93,;-.92,3.85,;-2.38,4.33,;-3.29,3.08,;-4.82,2.92,;-5.72,4.16,;-5.44,1.51,;-4.54,.27,;-3.01,.43,;-2.38,1.83,;-.92,2.31,;-6.93,1.11,;-7.33,-.37,;-8.42,.71,;-8.02,2.2,)|
Cc1cc(cc2[nH]c3c(ccc(-c4cccc(c4C)-n4c(=O)n(C)c5c(F)cccc5c4=O)c3c12)C(N)=O)C(C)(C)O |(-3.01,-.34,;-3.01,1.2,;-4.54,1.04,;-5.44,2.28,;-4.82,3.69,;-3.29,3.85,;-2.38,5.1,;-.92,4.62,;.42,5.39,;1.75,4.62,;1.75,3.08,;.42,2.31,;.42,.77,;-.92,,;-.92,-1.54,;.42,-2.31,;1.75,-1.54,;1.75,,;3.08,.77,;3.08,-2.31,;3.08,-3.85,;1.75,-4.62,;4.42,-4.62,;4.42,-6.16,;5.75,-3.85,;7.09,-4.62,;7.09,-6.16,;8.42,-3.85,;8.42,-2.31,;7.09,-1.54,;5.75,-2.31,;4.42,-1.54,;4.42,,;-.92,3.08,;-2.38,2.6,;.42,6.93,;1.75,7.7,;-.92,7.7,;-6.93,1.88,;-7.33,.4,;-8.42,1.48,;-8.02,2.97,)|
Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(CO)ccc3c12 |(2.89,,;1.55,-.77,;.22,,;-1.12,-.77,;-1.12,-2.31,;.22,-3.08,;1.55,-2.31,;2.89,-3.08,;2.89,-4.62,;1.55,-5.39,;4.22,-5.39,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;.22,1.54,;1.55,2.31,;1.55,3.85,;.22,4.62,;.22,6.16,;1.55,6.93,;-1.12,6.93,;-1.12,3.85,;-2.58,4.33,;-3.49,3.08,;-5.02,2.92,;-5.64,1.51,;-7.13,1.11,;-8.22,2.2,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-1.12,2.31,)|
CN(C)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(c3C)-n3c(=O)cc4c(F)cccn4c3=O)c21)C(N)=O |(-8.22,2.2,;-7.13,1.11,;-7.53,-.37,;-5.64,1.51,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-3.49,3.08,;-5.02,2.92,;-2.58,4.33,;-1.12,3.85,;.22,4.62,;1.55,3.85,;1.55,2.31,;.22,1.54,;.22,,;-1.12,-.77,;-1.12,-2.31,;.22,-3.08,;1.55,-2.31,;1.55,-.77,;2.89,,;2.89,-3.08,;2.89,-4.62,;1.55,-5.39,;4.22,-5.39,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;-1.12,2.31,;.22,6.16,;1.55,6.93,;-1.12,6.93,)|
CC(=O)NCc1ccc2c(c1)[nH]c1c(ccc(-c3cccc(c3C)-n3c(=O)cc4c(F)cccn4c3=O)c21)C(N)=O |(-9.51,2.89,;-8.42,1.8,;-8.82,.32,;-6.93,2.2,;-5.84,1.11,;-4.36,1.51,;-3.45,.27,;-1.92,.43,;-1.29,1.83,;-2.2,3.08,;-3.73,2.92,;-1.29,4.33,;.17,3.85,;1.51,4.62,;2.84,3.85,;2.84,2.31,;1.51,1.54,;1.51,,;.17,-.77,;.17,-2.31,;1.51,-3.08,;2.84,-2.31,;2.84,-.77,;4.17,,;4.17,-3.08,;4.17,-4.62,;2.84,-5.39,;5.51,-5.39,;6.84,-4.62,;8.17,-5.39,;8.17,-6.93,;9.51,-4.62,;9.51,-3.08,;8.17,-2.31,;6.84,-3.08,;5.51,-2.31,;5.51,-.77,;.17,2.31,;1.51,6.16,;2.84,6.93,;.17,6.93,)|
Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(CN4CCCC4)ccc3c12 |(3.89,,;2.56,-.77,;1.23,,;-.11,-.77,;-.11,-2.31,;1.23,-3.08,;2.56,-2.31,;3.89,-3.08,;3.89,-4.62,;2.56,-5.39,;5.23,-5.39,;6.56,-4.62,;7.89,-5.39,;7.89,-6.93,;9.23,-4.62,;9.23,-3.08,;7.89,-2.31,;6.56,-3.08,;5.23,-2.31,;5.23,-.77,;1.23,1.54,;2.56,2.31,;2.56,3.85,;1.23,4.62,;1.23,6.16,;2.56,6.93,;-.11,6.93,;-.11,3.85,;-1.57,4.33,;-2.48,3.08,;-4.01,2.92,;-4.64,1.51,;-6.12,1.11,;-7.21,2.2,;-6.74,3.67,;-7.98,4.57,;-9.23,3.67,;-8.75,2.2,;-3.73,.27,;-2.2,.43,;-1.57,1.83,;-.11,2.31,)|
COCc1ccc2c(c1)[nH]c1c(ccc(-c3cccc(c3C)-n3c(=O)cc4c(F)cccn4c3=O)c21)C(N)=O |(-8.96,1.8,;-7.48,2.2,;-6.39,1.11,;-4.9,1.51,;-3.99,.27,;-2.46,.43,;-1.84,1.83,;-2.74,3.08,;-4.27,2.92,;-1.84,4.33,;-.37,3.85,;.96,4.62,;2.3,3.85,;2.3,2.31,;.96,1.54,;.96,,;-.37,-.77,;-.37,-2.31,;.96,-3.08,;2.3,-2.31,;2.3,-.77,;3.63,,;3.63,-3.08,;3.63,-4.62,;2.3,-5.39,;4.96,-5.39,;6.3,-4.62,;7.63,-5.39,;7.63,-6.93,;8.96,-4.62,;8.96,-3.08,;7.63,-2.31,;6.3,-3.08,;4.96,-2.31,;4.96,-.77,;-.37,2.31,;.96,6.16,;2.3,6.93,;-.37,6.93,)|
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3c(F)c(ccc3c12)C(C)(C)O |(2.89,,;1.55,-.77,;.22,,;-1.12,-.77,;-1.12,-2.31,;.22,-3.08,;1.55,-2.31,;2.89,-3.08,;2.89,-4.62,;1.55,-5.39,;4.22,-5.39,;4.22,-6.93,;5.55,-4.62,;6.89,-5.39,;6.89,-6.93,;8.22,-4.62,;8.22,-3.08,;6.89,-2.31,;5.55,-3.08,;4.22,-2.31,;4.22,-.77,;.22,1.54,;1.55,2.31,;1.55,3.85,;.22,4.62,;.22,6.16,;1.55,6.93,;-1.12,6.93,;-1.12,3.85,;-2.58,4.33,;-3.49,3.08,;-5.02,2.92,;-6.11,4.01,;-5.64,1.51,;-4.74,.27,;-3.21,.43,;-2.58,1.83,;-1.12,2.31,;-7.13,1.11,;-8.22,2.2,;-7.13,2.65,;-7.9,-.22,)|
CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccccc2)nc1
CCn1c2cc(Nc3ncc(CCN(C)C)s3)ncc2cc(-c2ccccc2)c1=O
CCN(CC)CCOc1cnc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccccc2)nc1
CCn1c2cc(Nc3ccc(cn3)C(=O)N3CCOCC3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3cc(nc(C)n3)N3CCN(CCO)CC3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3cnccn3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3ccccn3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3ncc(C)s3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3ncc(C)o3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(-c2ccsc2)c1=O
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(-c2cccs2)c1=O
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(C2CCCCC2)c1=O
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(C(C)C)c1=O
CCN(CC)CCOc1ccc(Nc2cc3[nH]c(=O)c(cc3cn2)-c2ccccc2)nc1
CCN(CC)CCOc1ccc(Nc2cc3n(C)c(=O)c(cc3cn2)-c2ccccc2)nc1
CCN(CC)CCOc1ccc(Nc2cc3n(C4CCN(C)CC4)c(=O)c(cc3cn2)-c2ccccc2)nc1
CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2ccccc2)nc1
CCN(CC)CCOc1ccc(Nc2cc3n(-c4ccccc4)c(=O)c(cc3cn2)C(C)C)nc1
CCc1cc2cnc(Nc3ccc(C)cn3)cc2n(CC)c1=O
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(CC(C)C)c1=O
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(C#CC)c1=O
CCN(CC)CCOc1ccc(Nc2cc3n(C(C)C)c(=O)c(cc3cn2)-c2ccccc2)nc1
CCN(CC)CCOc1ccc(Nc2cc3n(C4CCCC4)c(=O)c(cc3cn2)-c2ccccc2)nc1
CCN(CC)CCOc1ccc(Nc2cc3n(CCOC)c(=O)c(cc3cn2)-c2ccccc2)nc1
CCN(CC)CCOc1ccc(Nc2cc3n(C4CCC4)c(=O)c(cc3cn2)-c2ccccc2)nc1
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(-c2ccc(F)cc2)c1=O
CCN(CC)CCOc1ccc(Nc2cc3n(C4CC4)c(=O)c(cc3cn2)-c2ccccc2)nc1
CCn1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(-c2cccc(F)c2)c1=O
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(C2CC2)c1=O
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(C2CCCC2)c1=O
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(C#CCOC)c1=O
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(C(C)=O)c1=O
CCN(CC)CCOc1ccc(Nc2cc3n(C(C)C)c(=O)c(cc3cn2)C(C)C)nc1
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(-c2ccccc2F)c1=O
CCN(CC)CCOc1ccc(Nc2cc3n(C4CC4)c(=O)c(cc3cn2)C(C)C)nc1
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(C2CCC2)c1=O
CCOC(=O)\C=C\c1cc2cnc(Nc3ccc(C)cn3)cc2n(CC)c1=O
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(C#CC(C)(C)C)c1=O
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(-c2ccc(C)cc2)c1=O
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(-c2cccc(C)c2)c1=O
CCn1c2cc(Nc3nccs3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3ccc(cn3)N3CCOCC3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(-c2ccccc2C)c1=O
CCN(CC)CCOc1ccc(Nc2cc3n(C4CCCC4)c(=O)c(cc3cn2)C(C)C)nc1
CCN(CC)CCOc1ccc(Nc2cc3n(C4CCC4)c(=O)c(cc3cn2)C(C)C)nc1
CCn1c2cc(Nc3ccc(OCCN(C)C)cn3)ncc2cc(-c2ccccc2)c1=O
CCN(CC)CCOc1ccc(Nc2cc3[nH]c(=O)c(cc3cn2)C(C)C)nc1
CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)C(C)C)nc1
CCn1c2cc(Nc3ccc(OC)cn3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3ccc(O)cn3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(C#CCO)c1=O
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(C#CC(C)(C)O)c1=O
CCN(CC)CCOc1ccc(Nc2cc3n(C(C)CCO)c(=O)c(cc3cn2)-c2ccccc2)nc1
CCN(CC)CCOc1ccc(Nc2cc3n(-c4ccccc4)c(=O)c(cc3cn2)-c2ccccc2)nc1
CCN(CC)CCOc1ccc(Nc2cc3n(CCOC)c(=O)c(cc3cn2)C(C)C)nc1
CCN(CC)CCOc1ccc(Nc2cc3n(C4CCN(C)C4)c(=O)c(cc3cn2)-c2ccccc2)nc1
CCN(CC)CCOc1ccc(Nc2cc3n(C)c(=O)c(cc3cn2)C(C)C)nc1
CCn1c2cc(Nc3ccncn3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3ccc(OC)nn3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3ccnc(OC)n3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3ccnc(O)n3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3ccc(cn3)N(C)C)ncc2cc(-c2ccccc2)c1=O
CCN(CC)CCOc1ccc(Nc2cc3n(CC4CCN(C)C4)c(=O)c(cc3cn2)-c2ccccc2)nc1
CCn1c2cc(Nc3ccc(NCCO)cn3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3ccc(NCCN(C)C)cn3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(-c2nccs2)c1=O
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(c1=O)C(C)(C)O
CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOCC4)c(=O)c(cc3cn2)-c2ccccc2)nc1
CCn1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2ccccc2Cl)c1=O
CCn1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2ccccc2F)c1=O
CCN(CC)CCOc1ccc(Nc2cc3n(CCN(C)C)c(=O)c(cc3cn2)-c2ccccc2)nc1
CCN(CC)CCOc1ccc(Nc2cc3n(C4CCCCC4)c(=O)c(cc3cn2)-c2ccccc2)nc1
CCn1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(2,-1.93,;.67,-1.16,;.67,.38,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.16,;-3.33,-1.93,;-3.33,-3.47,;-4.67,-4.24,;-4.67,-5.78,;-6,-3.47,;-6,-1.93,;-3.33,2.69,;-2,3.46,;-.67,2.69,;.67,3.46,;2,2.69,;3.33,3.46,;3.33,5,;2,5.78,;4.67,5.77,;6,5,;6,3.46,;4.67,2.69,;4.67,1.16,;2,1.15,;3.33,.38,)|
CCn1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(2,-1.93,;.67,-1.16,;.67,.38,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.16,;-3.33,-1.93,;-3.33,-3.47,;-4.67,-4.24,;-4.67,-5.78,;-6,-3.47,;-6,-1.93,;-3.33,2.69,;-2,3.46,;-.67,2.69,;.67,3.46,;2,2.69,;3.33,3.46,;3.33,5,;2,5.78,;4.67,5.77,;6,5,;6,3.46,;4.67,2.69,;4.67,1.16,;2,1.15,;3.33,.38,)|
Fc1ccc(Nc2cc3n(C4CCCC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-4.67,-5.78,;-4.67,-4.24,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.16,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.16,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.46,;-.67,2.69,;-2,3.46,;-3.33,2.69,;3.33,3.46,;3.33,5,;2,5.78,;4.67,5.77,;6,5,;6,3.46,;4.67,2.69,;4.67,1.16,;-6,-1.93,;-6,-3.47,)|
CC(C)n1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(2,-1.93,;.67,-1.15,;-.67,-1.93,;.67,.38,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-3.33,-1.93,;-3.33,-3.47,;-4.67,-4.23,;-4.67,-5.78,;-6,-3.47,;-6,-1.93,;-3.33,2.69,;-2,3.47,;-.67,2.69,;.67,3.47,;2,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.7,;4.67,1.15,;2,1.15,;3.33,.38,)|
CN1CCC(CC1)n1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(.67,-5.78,;.67,-4.23,;2,-3.47,;2,-1.93,;.67,-1.15,;-.67,-1.93,;-.67,-3.47,;.67,.38,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-3.33,-1.93,;-3.33,-3.47,;-4.67,-4.23,;-4.67,-5.78,;-6,-3.47,;-6,-1.93,;-3.33,2.69,;-2,3.47,;-.67,2.69,;.67,3.47,;2,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.7,;4.67,1.15,;2,1.15,;3.33,.38,)|
Fc1ccc(Nc2cc3n(C4CCOCC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.67,-1.93,;-.67,-3.47,;.67,-4.23,;2,-3.47,;2,-1.93,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.7,;4.67,1.15,;-6,-1.93,;-6,-3.47,)|
Fc1ccc(Nc2cc3n(-c4ccccc4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.67,-1.93,;-.67,-3.47,;.67,-4.23,;2,-3.47,;2,-1.93,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.7,;4.67,1.15,;-6,-1.93,;-6,-3.47,)|
CCN(CC)CCOc1ccc(Nc2cc3n(-c4ccncc4)c(=O)c(cc3cn2)-c2ccccc2)nc1
Fc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.7,;4.67,1.15,;-6,-1.93,;-6,-3.47,)|
CCN(CC)CCOc1ccc(Nc2cc3n(-c4cccnc4)c(=O)c(cc3cn2)-c2ccccc2)nc1
CN1CCC(C1)n1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(2.21,-4.86,;1.44,-3.52,;-.1,-3.52,;-.58,-2.06,;.67,-1.15,;1.91,-2.06,;.67,.38,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-3.33,-1.93,;-3.33,-3.47,;-4.67,-4.23,;-4.67,-5.78,;-6,-3.47,;-6,-1.93,;-3.33,2.69,;-2,3.47,;-.67,2.69,;.67,3.47,;2,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.7,;4.67,1.15,;2,1.15,;3.33,.38,)|
CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccccc2)cc1
CCn1c2cc(Nc3ccc(C)cn3)ncc2ccc1=O
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(Br)c1=O
CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(I)c1=O
CCn1c2cc(NC3=NCCO3)ncc2cc(-c2ccccc2)c1=O |t:7|
CCn1c2cc(NC3=NCCS3)ncc2cc(-c2ccccc2)c1=O |t:7|
CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-10.67,-1.54,;-9.34,-.77,;-8,-1.54,;-8,-3.08,;-9.34,-3.85,;-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;4,-3.85,;6.67,-.77,;8,-1.54,;6.67,.77,;5.33,1.54,;4,.77,;2.67,1.54,;1.33,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;-2.67,-1.54,;-4,-.77,)|
CCn1c2cc(Nc3ccc(OCCN4CCN(C)CC4)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(4.67,-3.85,;6,-3.08,;6,-1.54,;4.67,-.77,;3.33,-1.54,;2,-.77,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-6,.77,;-6,-.77,;-7.34,-1.54,;-8.67,-.77,;-10,-1.54,;-10,-3.08,;-11.34,-3.85,;-8.67,-3.85,;-7.34,-3.08,;-3.33,-.77,;-2,-1.54,;2,.77,;3.33,1.54,;4.67,.77,;6,1.54,;7.34,.77,;8.67,1.54,;8.67,3.08,;7.34,3.85,;10,3.85,;11.34,3.08,;11.34,1.54,;10,.77,;10,-.77,;7.34,-.77,;8.67,-1.54,)|
CCn1c2cc(Nc3ccc(OCCN4CCOCC4)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(4,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-9.34,-.77,;-10.67,-1.54,;-10.67,-3.08,;-9.34,-3.85,;-8,-3.08,;-4,-.77,;-2.67,-1.54,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;6.67,-.77,;8,-1.54,)|
CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(F)cccc2F)c1=O |(4,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-5.33,1.54,;-5.33,3.08,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-9.34,-.77,;-10.67,-1.54,;-9.34,.77,;-8,1.54,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;6.67,-.77,;8,-1.54,)|
CCn1c2cc(Nc3ccc(CN4CCN(C)CC4)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(4,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-6.67,.77,;-8,1.54,;-9.34,.77,;-9.34,-.77,;-10.67,-1.54,;-8,-1.54,;-6.67,-.77,;-4,-.77,;-2.67,-1.54,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;6.67,-.77,;8,-1.54,)|
CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(F)ccc(Cl)c2F)nc1 |(-11.34,-1.54,;-10,-.77,;-8.67,-1.54,;-8.67,-3.08,;-10,-3.85,;-7.34,-.77,;-7.34,.77,;-6,1.54,;-4.67,.77,;-3.33,1.54,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-3.85,;6,-.77,;7.34,-1.54,;6,.77,;4.67,1.54,;3.33,.77,;2,1.54,;.67,.77,;7.34,1.54,;7.34,3.08,;6,3.85,;8.67,3.85,;10,3.08,;10,1.54,;11.34,.77,;8.67,.77,;8.67,-.77,;-3.33,-1.54,;-4.67,-.77,)|
CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(F)cc(Cl)cc2F)nc1 |(-11.34,-1.54,;-10,-.77,;-8.67,-1.54,;-8.67,-3.08,;-10,-3.85,;-7.34,-.77,;-7.34,.77,;-6,1.54,;-4.67,.77,;-3.33,1.54,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;6,-3.85,;6,-.77,;7.34,-1.54,;6,.77,;4.67,1.54,;3.33,.77,;2,1.54,;.67,.77,;7.34,1.54,;7.34,3.08,;6,3.85,;8.67,3.85,;10,3.08,;11.34,3.85,;10,1.54,;8.67,.77,;8.67,-.77,;-3.33,-1.54,;-4.67,-.77,)|
CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccc(F)cc2C)nc1
CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccc(F)cc2F)nc1
CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1 |(-10.67,-1.54,;-9.34,-.77,;-8,-1.54,;-8,-3.08,;-9.34,-3.85,;-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;6.67,-.77,;8,-1.54,;6.67,.77,;5.33,1.54,;4,.77,;2.67,1.54,;1.33,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;-2.67,-1.54,;-4,-.77,)|
CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccccn2)nc1
CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2cccnc2)nc1
CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccc(SC)cc2)nc1
CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2cccc(SC)c2)nc1
CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccccc2Cl)nc1
CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccccc2C(F)(F)F)nc1
CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(Cl)cccc2OC)nc1 |(-9.34,-3.85,;-8,-3.08,;-8,-1.54,;-9.34,-.77,;-10.67,-1.54,;-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;6.67,-.77,;8,-1.54,;6.67,.77,;5.33,1.54,;4,.77,;2.67,1.54,;1.33,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;10.67,-1.54,;-2.67,-1.54,;-4,-.77,)|
CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(O)cccc2Cl)nc1 |(-9.34,-3.85,;-8,-3.08,;-8,-1.54,;-9.34,-.77,;-10.67,-1.54,;-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;6.67,-.77,;8,-1.54,;6.67,.77,;5.33,1.54,;4,.77,;2.67,1.54,;1.33,.77,;8,1.54,;9.34,.77,;9.34,-.77,;10.67,1.54,;10.67,3.08,;9.34,3.85,;8,3.08,;6.67,3.85,;-2.67,-1.54,;-4,-.77,)|
CCn1c2cc(Nc3ccc(CN4CCNCC4)cn3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3ccc(CN4CCN(CC4)S(C)(=O)=O)cn3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3cccnn3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3cn(C)cn3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3cn(CCOC)cn3)ncc2cc(-c2ccccc2)c1=O
CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(F)cccc2Cl)c1=O |(6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-5.33,1.54,;-5.33,3.08,;-6.67,.77,;-8,1.54,;-9.34,.77,;-9.34,-.77,;-10.67,-1.54,;-8,-1.54,;-6.67,-.77,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;6.67,-.77,;8,-1.54,)|
CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2cc(SC)ccc2F)c1=O
CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(F)cccc2OC)c1=O |(6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-5.33,1.54,;-5.33,3.08,;-6.67,.77,;-8,1.54,;-9.34,.77,;-9.34,-.77,;-10.67,-1.54,;-8,-1.54,;-6.67,-.77,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;10.67,-1.54,;6.67,-.77,;8,-1.54,)|
CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2cc(OC)ccc2F)c1=O
CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(O)cccc2F)c1=O |(6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-5.33,1.54,;-5.33,3.08,;-6.67,.77,;-8,1.54,;-9.34,.77,;-9.34,-.77,;-10.67,-1.54,;-8,-1.54,;-6.67,-.77,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;9.34,-.77,;10.67,1.54,;10.67,3.08,;9.34,3.85,;8,3.08,;6.67,3.85,;6.67,-.77,;8,-1.54,)|
CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-5.33,1.54,;-5.33,3.08,;-6.67,.77,;-8,1.54,;-9.34,.77,;-9.34,-.77,;-10.67,-1.54,;-8,-1.54,;-6.67,-.77,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;6.67,-.77,;8,-1.54,)|
CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(O)cccc2Cl)c1=O |(6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-5.33,1.54,;-5.33,3.08,;-6.67,.77,;-8,1.54,;-9.34,.77,;-9.34,-.77,;-10.67,-1.54,;-8,-1.54,;-6.67,-.77,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;9.34,-.77,;10.67,1.54,;10.67,3.08,;9.34,3.85,;8,3.08,;6.67,3.85,;6.67,-.77,;8,-1.54,)|
CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(F)ccc(F)c2O)c1=O |(6,-3.85,;4.67,-3.08,;4.67,-1.54,;3.33,-.77,;2,-1.54,;.67,-.77,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-4.67,-.77,;-3.33,-1.54,;-6,1.54,;-6,3.08,;-7.34,.77,;-7.34,-.77,;-8.67,-1.54,;-10,-.77,;-11.34,-1.54,;-10,.77,;-8.67,1.54,;.67,.77,;2,1.54,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;7.34,3.08,;6,3.85,;8.67,3.85,;10,3.08,;10,1.54,;11.34,.77,;8.67,.77,;8.67,-.77,;6,-.77,;7.34,-1.54,)|
CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(C)cc(F)cc2C)c1=O |(6,-3.85,;4.67,-3.08,;4.67,-1.54,;3.33,-.77,;2,-1.54,;.67,-.77,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-4.67,-.77,;-3.33,-1.54,;-6,1.54,;-6,3.08,;-7.34,.77,;-7.34,-.77,;-8.67,-1.54,;-10,-.77,;-11.34,-1.54,;-10,.77,;-8.67,1.54,;.67,.77,;2,1.54,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;8.67,-.77,;10,1.54,;10,3.08,;11.34,3.85,;8.67,3.85,;7.34,3.08,;6,3.85,;6,-.77,;7.34,-1.54,)|
OCCn1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(4,-4.62,;4,-3.08,;2.67,-2.31,;2.67,-.77,;1.33,,;,-.77,;-1.33,,;-2.67,-.77,;-4,,;-4,1.54,;-5.33,2.31,;-6.67,1.54,;-8,2.31,;-6.67,,;-5.33,-.77,;-1.33,1.54,;,2.31,;1.33,1.54,;2.67,2.31,;4,1.54,;5.33,2.31,;6.67,1.54,;6.67,,;8,2.31,;8,3.85,;6.67,4.62,;5.33,3.85,;4,4.62,;4,,;5.33,-.77,)|
COCCn1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(5.33,-5,;4,-4.23,;4,-2.69,;2.67,-1.93,;2.67,-.38,;1.33,.38,;,-.38,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-5.33,2.69,;-6.67,1.93,;-8,2.69,;-6.67,.38,;-5.33,-.38,;-1.33,1.93,;,2.69,;1.33,1.93,;2.67,2.69,;4,1.93,;5.33,2.69,;6.67,1.93,;6.67,.38,;8,2.69,;8,4.23,;6.67,5,;5.33,4.23,;4,5,;4,.38,;5.33,-.38,)|
NCCn1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(4,-4.62,;4,-3.08,;2.67,-2.31,;2.67,-.77,;1.33,,;,-.77,;-1.33,,;-2.67,-.77,;-4,,;-4,1.54,;-5.33,2.31,;-6.67,1.54,;-8,2.31,;-6.67,,;-5.33,-.77,;-1.33,1.54,;,2.31,;1.33,1.54,;2.67,2.31,;4,1.54,;5.33,2.31,;6.67,1.54,;6.67,,;8,2.31,;8,3.85,;6.67,4.62,;5.33,3.85,;4,4.62,;4,,;5.33,-.77,)|
COCCn1c2cc(Nc3ccc(F)cn3)ncc2cc(C(C)C)c1=O
COCCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(F)cccc2F)c1=O |(2.67,-5,;4,-4.23,;4,-2.69,;5.33,-1.93,;5.33,-.39,;4,.38,;2.67,-.39,;1.33,.38,;,-.39,;-1.33,.38,;-1.33,1.92,;-2.67,2.69,;-4,1.92,;-4,.38,;-2.67,-.39,;-5.33,2.69,;-5.33,4.23,;-6.67,1.92,;-6.67,.38,;-8,-.39,;-9.34,.38,;-10.67,-.39,;-9.34,1.92,;-8,2.69,;1.33,1.92,;2.67,2.69,;4,1.92,;5.33,2.69,;6.67,1.92,;8,2.69,;9.34,1.92,;9.34,.38,;10.67,2.69,;10.67,4.23,;9.34,5,;8,4.23,;6.67,5,;6.67,.38,;8,-.39,)|
CN(C)CCCn1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |(6.67,-3.47,;5.33,-4.23,;5.33,-5.78,;4,-3.47,;4,-1.93,;2.67,-1.15,;2.67,.38,;1.33,1.15,;,.38,;-1.33,1.15,;-2.67,.38,;-4,1.15,;-5.33,.38,;-6.67,1.15,;-6.67,2.69,;-8,3.47,;-5.33,3.47,;-4,2.69,;-1.33,2.69,;,3.47,;1.33,2.69,;2.67,3.47,;4,2.69,;5.33,3.47,;6.67,2.69,;6.67,1.15,;8,3.47,;8,5,;6.67,5.78,;5.33,5,;4,5.78,;4,1.15,;5.33,.38,)|
Fc1ccc(Nc2cc3n(CCCN4CCOCC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-8,3.85,;-6.67,3.08,;-5.33,3.85,;-4,3.08,;-4,1.54,;-2.67,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;4,-1.54,;4,-3.08,;2.67,-3.85,;1.33,-3.08,;,-3.85,;,-5.39,;1.33,-6.16,;2.67,-5.39,;4,1.54,;5.33,.77,;4,3.08,;2.67,3.85,;1.33,3.08,;,3.85,;-1.33,3.08,;5.33,3.85,;6.67,3.08,;6.67,1.54,;8,3.85,;8,5.39,;6.67,6.16,;5.33,5.39,;4,6.16,;-5.33,.77,;-6.67,1.54,)|
CN1CCN(CCCn2c3cc(Nc4ccc(F)cn4)ncc3cc(-c3c(F)cccc3F)c2=O)CC1 |(-1.33,-6.16,;,-5.39,;,-3.85,;1.33,-3.08,;2.67,-3.85,;4,-3.08,;4,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-6.67,3.08,;-8,3.85,;-6.67,1.54,;-5.33,.77,;-1.33,3.08,;,3.85,;1.33,3.08,;2.67,3.85,;4,3.08,;5.33,3.85,;6.67,3.08,;6.67,1.54,;8,3.85,;8,5.39,;6.67,6.16,;5.33,5.39,;4,6.16,;4,1.54,;5.33,.77,;2.67,-5.39,;1.33,-6.16,)|
Fc1ccc(Nc2cc3n(CCN4CCOCC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-8,3.85,;-6.67,3.08,;-5.33,3.85,;-4,3.08,;-4,1.54,;-2.67,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;4,-1.54,;4,-3.08,;2.67,-3.85,;2.67,-5.39,;4,-6.16,;5.33,-5.39,;5.33,-3.85,;4,1.54,;5.33,.77,;4,3.08,;2.67,3.85,;1.33,3.08,;,3.85,;-1.33,3.08,;5.33,3.85,;6.67,3.08,;6.67,1.54,;8,3.85,;8,5.39,;6.67,6.16,;5.33,5.39,;4,6.16,;-5.33,.77,;-6.67,1.54,)|
CN1CCN(CCn2c3cc(Nc4ccc(F)cn4)ncc3cc(-c3c(F)cccc3F)c2=O)CC1 |(4,-6.93,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4,3.85,;-5.33,4.62,;-6.67,3.85,;-8,4.62,;-6.67,2.31,;-5.33,1.54,;-1.33,3.85,;,4.62,;1.33,3.85,;2.67,4.62,;4,3.85,;5.33,4.62,;6.67,3.85,;6.67,2.31,;8,4.62,;8,6.16,;6.67,6.93,;5.33,6.16,;4,6.93,;4,2.31,;5.33,1.54,;5.33,-3.08,;5.33,-4.62,)|
CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,2.69,;-5.33,1.15,;-6.67,.38,;-6.67,-1.15,;-8,-1.93,;-9.34,-1.15,;-10.67,-1.93,;-9.34,.38,;-8,1.15,;-4,.38,;-2.67,1.15,;-1.33,.38,;-1.33,-1.15,;,-1.93,;1.33,-1.15,;2.67,-1.93,;4,-1.15,;5.33,-1.93,;5.33,-3.47,;6.67,-1.15,;8,-1.93,;6.67,.38,;5.33,1.15,;4,.38,;2.67,1.15,;1.33,.38,;8,1.15,;9.34,.38,;9.34,-1.15,;10.67,1.15,;10.67,2.69,;9.34,3.47,;8,2.69,;6.67,3.47,;-2.67,-1.93,;-4,-1.15,)|
CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C4CC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,3.36,;-5.33,1.82,;-6.67,1.05,;-6.67,-.49,;-8,-1.26,;-9.34,-.49,;-10.67,-1.26,;-9.34,1.05,;-8,1.82,;-4,1.05,;-2.67,1.82,;-1.33,1.05,;-1.33,-.49,;,-1.26,;1.33,-.49,;2.67,-1.26,;4,-.49,;5.33,-1.26,;5.33,-2.8,;4.56,-4.13,;6.1,-4.13,;6.67,-.49,;8,-1.26,;6.67,1.05,;5.33,1.82,;4,1.05,;2.67,1.82,;1.33,1.05,;8,1.82,;9.34,1.05,;9.34,-.49,;10.67,1.82,;10.67,3.36,;9.34,4.13,;8,3.36,;6.67,4.13,;-2.67,-1.26,;-4,-.49,)|
CC(C)n1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(F)cccc2F)c1=O |(6.67,-3.85,;5.33,-3.08,;4,-3.85,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-5.33,1.54,;-5.33,3.08,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-9.34,-.77,;-10.67,-1.54,;-9.34,.77,;-8,1.54,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;9.34,-.77,;10.67,1.54,;10.67,3.08,;9.34,3.85,;8,3.08,;6.67,3.85,;6.67,-.77,;8,-1.54,)|
CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C4CCC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,3.78,;-5.33,2.24,;-6.67,1.47,;-6.67,-.07,;-8,-.84,;-9.34,-.07,;-10.67,-.84,;-9.34,1.47,;-8,2.24,;-4,1.47,;-2.67,2.24,;-1.33,1.47,;-1.33,-.07,;,-.84,;1.33,-.07,;2.67,-.84,;4,-.07,;5.33,-.84,;5.33,-2.38,;4.25,-3.47,;5.33,-4.55,;6.42,-3.47,;6.67,-.07,;8,-.84,;6.67,1.47,;5.33,2.24,;4,1.47,;2.67,2.24,;1.33,1.47,;8,2.24,;9.34,1.47,;9.34,-.07,;10.67,2.24,;10.67,3.78,;9.34,4.55,;8,3.78,;6.67,4.55,;-2.67,-.84,;-4,-.07,)|
CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C4CCCC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,3.88,;-5.33,2.34,;-6.67,1.57,;-6.67,.03,;-8,-.74,;-9.34,.03,;-10.67,-.74,;-9.34,1.57,;-8,2.34,;-4,1.57,;-2.67,2.34,;-1.33,1.57,;-1.33,.03,;,-.74,;1.33,.03,;2.67,-.74,;4,.03,;5.33,-.74,;5.33,-2.28,;4.09,-3.19,;4.56,-4.65,;6.1,-4.65,;6.58,-3.19,;6.67,.03,;8,-.74,;6.67,1.57,;5.33,2.34,;4,1.57,;2.67,2.34,;1.33,1.57,;8,2.34,;9.34,1.57,;9.34,.03,;10.67,2.34,;10.67,3.88,;9.34,4.65,;8,3.88,;6.67,4.65,;-2.67,-.74,;-4,.03,)|
CN(C1CCN(C)CC1)c1ccc(Nc2cc3[nH]c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,1.93,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-8,-2.69,;-9.34,-1.93,;-10.67,-2.69,;-9.34,-.38,;-8,.38,;-4,-.38,;-2.67,.38,;-1.33,-.38,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;4,-1.93,;5.33,-2.69,;6.67,-1.93,;8,-2.69,;6.67,-.38,;5.33,.38,;4,-.38,;2.67,.38,;1.33,-.38,;8,.38,;9.34,-.38,;9.34,-1.93,;10.67,.38,;10.67,1.93,;9.34,2.69,;8,1.93,;6.67,2.69,;-2.67,-2.69,;-4,-1.93,)|
Fc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;-6,-1.93,;-6,-3.47,)|
CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-8,-6.16,;-6.67,-5.39,;-5.33,-6.16,;-5.33,-7.7,;-6.67,-8.47,;-4,-5.39,;-4,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;2.67,3.08,;2.67,1.54,;1.42,.63,;1.9,-.83,;3.44,-.83,;3.91,.63,;4,3.85,;5.33,3.08,;4,5.39,;2.67,6.16,;1.33,5.39,;,6.16,;-1.33,5.39,;5.33,6.16,;5.33,7.7,;4,8.47,;6.67,8.47,;8,7.7,;8,6.16,;6.67,5.39,;6.67,3.85,;-4,.77,;-4,-.77,)|
CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1 |(-11.34,1.57,;-10,2.34,;-8.67,1.57,;-8.67,.03,;-10,-.74,;-7.34,2.34,;-6,1.57,;-4.67,2.34,;-3.33,1.57,;-3.33,.03,;-2,-.74,;-.67,.03,;.67,-.74,;2,.03,;3.33,-.74,;4.67,.03,;6,-.74,;6,-2.28,;4.76,-3.19,;5.23,-4.65,;6.77,-4.65,;7.25,-3.19,;7.34,.03,;8.67,-.74,;7.34,1.57,;6,2.34,;4.67,1.57,;3.33,2.34,;2,1.57,;8.67,2.34,;10,1.57,;10,.03,;11.34,2.34,;11.34,3.88,;10,4.65,;8.67,3.88,;7.34,4.65,;-.67,1.57,;-2,2.34,)|
Fc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;-6,-1.93,;-6,-3.47,)|
Fc1ccc(Nc2cc3n([C@H]4CCNC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |r,wD:10.9,(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;-6,-1.93,;-6,-3.47,)|
CN1CC[C@@H](C1)n1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |r,wD:4.6,(2.21,-4.86,;1.44,-3.52,;-.1,-3.52,;-.58,-2.06,;.67,-1.15,;1.91,-2.06,;.67,.38,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-3.33,-1.93,;-3.33,-3.47,;-4.67,-4.23,;-4.67,-5.78,;-6,-3.47,;-6,-1.93,;-3.33,2.69,;-2,3.47,;-.67,2.69,;.67,3.47,;2,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;2,1.15,;3.33,.38,)|
Fc1ccc(Nc2cc3n([C@@H]4CCNC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |r,wU:10.9,(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;-6,-1.93,;-6,-3.47,)|
CN1CC[C@H](C1)n1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O |r,wU:4.6,(2.21,-4.86,;1.44,-3.52,;-.1,-3.52,;-.58,-2.06,;.67,-1.15,;1.91,-2.06,;.67,.38,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-3.33,-1.93,;-3.33,-3.47,;-4.67,-4.23,;-4.67,-5.78,;-6,-3.47,;-6,-1.93,;-3.33,2.69,;-2,3.47,;-.67,2.69,;.67,3.47,;2,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;2,1.15,;3.33,.38,)|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@H]1CC[C@H](O)CC1 |r,wU:25.28,wD:28.32,(-3.42,.65,;-3.42,-.89,;-4.75,-1.66,;-4.75,-3.2,;-3.42,-3.97,;-2.08,-3.2,;-.62,-3.68,;.29,-2.43,;-.62,-1.18,;-.22,.3,;-1.31,1.39,;-.91,2.88,;.58,3.28,;1.67,2.19,;1.27,.7,;.98,4.77,;-.11,5.85,;2.46,5.16,;2.86,6.65,;1.77,7.74,;2.17,9.23,;3.66,9.63,;4.75,8.54,;4.35,7.05,;-2.08,-1.66,;-.22,-5.16,;1.27,-5.56,;1.67,-7.05,;.58,-8.14,;.98,-9.63,;-.91,-7.74,;-1.31,-6.25,)|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@H](O)CC1 |r,wU:29.32,wD:32.36,(-3.42,.3,;-3.42,-1.24,;-4.75,-2.01,;-4.75,-3.55,;-3.42,-4.32,;-2.08,-3.55,;-.62,-4.02,;.29,-2.78,;-.62,-1.53,;-.22,-.04,;-1.31,1.05,;-.91,2.53,;.58,2.93,;1.67,1.84,;1.27,.36,;.98,4.42,;-.11,5.51,;2.46,4.82,;2.86,6.31,;1.77,7.4,;2.17,8.88,;3.66,9.28,;4.75,8.19,;4.35,6.7,;1.08,9.97,;-.4,9.57,;1.48,11.46,;.69,8.48,;-2.08,-2.01,;-.22,-5.51,;1.27,-5.91,;1.67,-7.4,;.58,-8.48,;.98,-9.97,;-.91,-8.09,;-1.31,-6.6,)|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H]3CC[C@H](O)CC3)n3ccnc(N)c23)c1 |r,wU:20.20,wD:23.24,(-1.49,10.32,;-.4,9.23,;1.08,9.63,;2.17,8.54,;3.66,8.94,;4.75,7.85,;4.35,6.36,;2.86,5.96,;2.46,4.47,;.98,4.08,;-.11,5.16,;.58,2.59,;1.67,1.5,;1.27,.01,;-.22,-.39,;-1.31,.7,;-.91,2.19,;-.62,-1.88,;.29,-3.12,;-.62,-4.37,;-.22,-5.85,;1.27,-6.25,;1.67,-7.74,;.58,-8.83,;.98,-10.32,;-.91,-8.43,;-1.31,-6.94,;-2.08,-3.89,;-3.42,-4.66,;-4.75,-3.89,;-4.75,-2.35,;-3.42,-1.58,;-3.42,-.04,;-2.08,-2.35,;1.77,7.05,)|
CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@H]3CC[C@H](O)CC3)n3ccnc(N)c23)s1 |r,wU:18.18,wD:21.22,(1.19,10.33,;2.68,9.93,;3.07,8.44,;4.54,7.97,;4.54,6.43,;3.07,5.95,;2.68,4.46,;1.19,4.06,;.1,5.15,;.79,2.58,;1.88,1.49,;1.48,,;-.01,-.4,;-1.1,.69,;-.7,2.18,;-.41,-1.89,;.5,-3.13,;-.41,-4.38,;-.01,-5.87,;1.48,-6.26,;1.88,-7.75,;.79,-8.84,;1.19,-10.33,;-.7,-8.44,;-1.1,-6.95,;-1.87,-3.9,;-3.2,-4.67,;-4.54,-3.9,;-4.54,-2.36,;-3.2,-1.59,;-3.2,-.05,;-1.87,-2.36,;2.17,7.2,)|
Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H]3CC[C@H](O)CC3)n3ccnc(N)c23)c1 |r,wU:18.18,wD:21.22,(1.08,9.97,;2.17,8.88,;3.66,9.28,;4.75,8.19,;4.35,6.7,;2.86,6.31,;2.46,4.82,;.98,4.42,;-.11,5.51,;.58,2.93,;1.67,1.84,;1.27,.36,;-.22,-.04,;-1.31,1.05,;-.91,2.53,;-.62,-1.53,;.29,-2.78,;-.62,-4.02,;-.22,-5.51,;1.27,-5.91,;1.67,-7.4,;.58,-8.48,;.98,-9.97,;-.91,-8.09,;-1.31,-6.6,;-2.08,-3.55,;-3.42,-4.32,;-4.75,-3.55,;-4.75,-2.01,;-3.42,-1.24,;-3.42,.3,;-2.08,-2.01,;1.77,7.4,)|
CC(C)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H]3CC[C@H](O)CC3)n3ccnc(N)c23)c1 |r,wU:20.20,wD:23.24,(-.4,8.83,;1.08,9.23,;1.48,10.72,;2.17,8.14,;3.66,8.54,;4.75,7.45,;4.35,5.96,;2.86,5.56,;2.46,4.08,;.98,3.68,;-.11,4.77,;.58,2.19,;1.67,1.1,;1.27,-.39,;-.22,-.79,;-1.31,.3,;-.91,1.79,;-.62,-2.27,;.29,-3.52,;-.62,-4.77,;-.22,-6.25,;1.27,-6.65,;1.67,-8.14,;.58,-9.23,;.98,-10.72,;-.91,-8.83,;-1.31,-7.34,;-2.08,-4.29,;-3.42,-5.06,;-4.75,-4.29,;-4.75,-2.75,;-3.42,-1.98,;-3.42,-.44,;-2.08,-2.75,;1.77,6.65,)|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@H]1CC[C@H](O)CC1 |r,wU:28.32,wD:31.36,(-3.42,-.44,;-3.42,-1.98,;-4.75,-2.75,;-4.75,-4.29,;-3.42,-5.06,;-2.08,-4.29,;-.62,-4.77,;.29,-3.52,;-.62,-2.27,;-.22,-.79,;1.27,-.39,;1.67,1.1,;.58,2.19,;-.91,1.79,;-1.31,.3,;.98,3.68,;-.11,4.77,;2.46,4.08,;2.86,5.56,;1.77,6.65,;2.17,8.14,;3.66,8.54,;4.75,7.45,;4.35,5.96,;1.08,9.23,;.69,10.72,;-.4,9.63,;-2.08,-2.75,;-.22,-6.25,;1.27,-6.65,;1.67,-8.14,;.58,-9.23,;.98,-10.72,;-.91,-8.83,;-1.31,-7.34,)|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nc4CCCCc4s3)c12)[C@H]1CC[C@H](O)CC1 |r,wU:28.32,wD:31.36,(-3.78,-.38,;-3.78,-1.92,;-5.11,-2.69,;-5.11,-4.23,;-3.78,-5,;-2.44,-4.23,;-.98,-4.7,;-.07,-3.46,;-.98,-2.21,;-.58,-.72,;.91,-.33,;1.31,1.16,;.22,2.25,;-1.27,1.85,;-1.67,.36,;.62,3.74,;-.47,4.83,;2.1,4.14,;2.5,5.62,;3.97,6.1,;3.97,7.64,;5.11,8.67,;4.79,10.18,;3.33,10.65,;2.18,9.62,;2.5,8.12,;1.6,6.87,;-2.44,-2.69,;-.58,-6.19,;.91,-6.59,;1.31,-8.08,;.22,-9.17,;.62,-10.65,;-1.27,-8.77,;-1.67,-7.28,)|
COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@H]2CC[C@H](O)CC2)n2ccnc(N)c12 |r,wU:20.21,wD:23.25,(4.24,1.5,;3.15,2.59,;1.67,2.19,;1.27,.7,;-.22,.3,;-1.31,1.39,;-.91,2.88,;.58,3.28,;.98,4.77,;-.11,5.85,;2.46,5.16,;2.86,6.65,;1.77,7.74,;2.17,9.23,;3.66,9.63,;4.75,8.54,;4.35,7.05,;-.62,-1.18,;.29,-2.43,;-.62,-3.68,;-.22,-5.16,;1.27,-5.56,;1.67,-7.05,;.58,-8.14,;.98,-9.63,;-.91,-7.74,;-1.31,-6.25,;-2.08,-3.2,;-3.42,-3.97,;-4.75,-3.2,;-4.75,-1.66,;-3.42,-.89,;-3.42,.65,;-2.08,-1.66,)|
CCCc1ccnc(NC(=O)c2ccc(-c3nc([C@H]4CC[C@H](O)CC4)n4ccnc(N)c34)c(C)c2)c1 |r,wU:18.17,wD:21.21,(-1.49,10.32,;-.4,9.23,;1.08,9.63,;2.17,8.54,;3.66,8.94,;4.75,7.85,;4.35,6.36,;2.86,5.96,;2.46,4.47,;.98,4.08,;-.11,5.16,;.58,2.59,;-.91,2.19,;-1.31,.7,;-.22,-.39,;-.62,-1.88,;.29,-3.12,;-.62,-4.37,;-.22,-5.85,;1.27,-6.25,;1.67,-7.74,;.58,-8.83,;.98,-10.32,;-.91,-8.43,;-1.31,-6.94,;-2.08,-3.89,;-3.42,-4.66,;-4.75,-3.89,;-4.75,-2.35,;-3.42,-1.58,;-3.42,-.04,;-2.08,-2.35,;1.27,.01,;2.36,-1.08,;1.67,1.5,;1.77,7.05,)|
CCCc1ccnc(NC(=O)c2ccc(cc2OC)-c2nc([C@H]3CC[C@H](O)CC3)n3ccnc(N)c23)c1 |r,wU:22.22,wD:25.26,(-1.49,10.32,;-.4,9.23,;1.08,9.63,;2.17,8.54,;3.66,8.94,;4.75,7.85,;4.35,6.36,;2.86,5.96,;2.46,4.47,;.98,4.08,;-.11,5.16,;.58,2.59,;-.91,2.19,;-1.31,.7,;-.22,-.39,;1.27,.01,;1.67,1.5,;3.15,1.9,;4.24,.81,;-.62,-1.88,;.29,-3.12,;-.62,-4.37,;-.22,-5.85,;1.27,-6.25,;1.67,-7.74,;.58,-8.83,;.98,-10.32,;-.91,-8.43,;-1.31,-6.94,;-2.08,-3.89,;-3.42,-4.66,;-4.75,-3.89,;-4.75,-2.35,;-3.42,-1.58,;-3.42,-.04,;-2.08,-2.35,;1.77,7.05,)|
Nc1nccn2c(nc(-c3ccc(C(=O)Nc4ccccn4)c(F)c3)c12)[C@H]1CC[C@H](O)CC1 |r,wU:26.29,wD:29.33,(-3.42,.65,;-3.42,-.89,;-4.75,-1.66,;-4.75,-3.2,;-3.42,-3.97,;-2.08,-3.2,;-.62,-3.68,;.29,-2.43,;-.62,-1.18,;-.22,.3,;-1.31,1.39,;-.91,2.88,;.58,3.28,;.98,4.77,;-.11,5.85,;2.46,5.16,;2.86,6.65,;1.77,7.74,;2.17,9.23,;3.66,9.63,;4.75,8.54,;4.35,7.05,;1.67,2.19,;3.15,2.59,;1.27,.7,;-2.08,-1.66,;-.22,-5.16,;1.27,-5.56,;1.67,-7.05,;.58,-8.14,;.98,-9.63,;-.91,-7.74,;-1.31,-6.25,)|
CCCc1ccnc(NC(=O)c2ccc(cc2F)-c2nc([C@H]3CC[C@H](O)CC3)n3ccnc(N)c23)c1 |r,wU:21.21,wD:24.25,(-1.49,10.32,;-.4,9.23,;1.08,9.63,;2.17,8.54,;3.66,8.94,;4.75,7.85,;4.35,6.36,;2.86,5.96,;2.46,4.47,;.98,4.08,;-.11,5.16,;.58,2.59,;-.91,2.19,;-1.31,.7,;-.22,-.39,;1.27,.01,;1.67,1.5,;3.15,1.9,;-.62,-1.88,;.29,-3.12,;-.62,-4.37,;-.22,-5.85,;1.27,-6.25,;1.67,-7.74,;.58,-8.83,;.98,-10.32,;-.91,-8.43,;-1.31,-6.94,;-2.08,-3.89,;-3.42,-4.66,;-4.75,-3.89,;-4.75,-2.35,;-3.42,-1.58,;-3.42,-.04,;-2.08,-2.35,;1.77,7.05,)|
CC1CCc2nc(NC(=O)c3ccc(cc3)-c3nc([C@H]4CC[C@H](O)CC4)n4ccnc(N)c34)sc2C1 |r,wU:19.19,wD:22.23,(3.01,11.41,;3.33,9.9,;4.79,9.42,;5.11,7.92,;3.97,6.89,;3.97,5.35,;2.5,4.87,;2.1,3.38,;.62,2.99,;-.47,4.07,;.22,1.5,;1.31,.41,;.91,-1.08,;-.58,-1.48,;-1.67,-.39,;-1.27,1.1,;-.98,-2.96,;-.07,-4.21,;-.98,-5.46,;-.58,-6.94,;.91,-7.34,;1.31,-8.83,;.22,-9.92,;.62,-11.41,;-1.27,-9.52,;-1.67,-8.03,;-2.44,-4.98,;-3.78,-5.75,;-5.11,-4.98,;-5.11,-3.44,;-3.78,-2.67,;-3.78,-1.13,;-2.44,-3.44,;1.6,6.12,;2.5,7.36,;2.18,8.87,)|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nc4CCOCc4s3)c12)[C@H]1CC[C@H](O)CC1 |r,wU:28.32,wD:31.36,(-3.78,-.38,;-3.78,-1.92,;-5.11,-2.69,;-5.11,-4.23,;-3.78,-5,;-2.44,-4.23,;-.98,-4.7,;-.07,-3.46,;-.98,-2.21,;-.58,-.72,;.91,-.33,;1.31,1.16,;.22,2.25,;-1.27,1.85,;-1.67,.36,;.62,3.74,;-.47,4.83,;2.1,4.14,;2.5,5.62,;3.97,6.1,;3.97,7.64,;5.11,8.67,;4.79,10.18,;3.33,10.65,;2.18,9.62,;2.5,8.12,;1.6,6.87,;-2.44,-2.69,;-.58,-6.19,;.91,-6.59,;1.31,-8.08,;.22,-9.17,;.62,-10.65,;-1.27,-8.77,;-1.67,-7.28,)|
Cc1cc(ccc1-c1nc([C@H]2CC[C@H](O)CC2)n2ccnc(N)c12)C(=O)Nc1ccccn1 |r,wU:10.10,wD:13.14,(2.36,-.39,;1.27,.7,;1.67,2.19,;.58,3.28,;-.91,2.88,;-1.31,1.39,;-.22,.3,;-.62,-1.18,;.29,-2.43,;-.62,-3.68,;-.22,-5.16,;1.27,-5.56,;1.67,-7.05,;.58,-8.14,;.98,-9.63,;-.91,-7.74,;-1.31,-6.25,;-2.08,-3.2,;-3.42,-3.97,;-4.75,-3.2,;-4.75,-1.66,;-3.42,-.89,;-3.42,.65,;-2.08,-1.66,;.98,4.77,;-.11,5.85,;2.46,5.16,;2.86,6.65,;1.77,7.74,;2.17,9.23,;3.66,9.63,;4.75,8.54,;4.35,7.05,)|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nc4CCNCc4s3)c12)[C@H]1CC[C@H](O)CC1 |r,wU:28.32,wD:31.36,(-3.78,-.38,;-3.78,-1.92,;-5.11,-2.69,;-5.11,-4.23,;-3.78,-5,;-2.44,-4.23,;-.98,-4.7,;-.07,-3.46,;-.98,-2.21,;-.58,-.72,;.91,-.33,;1.31,1.16,;.22,2.25,;-1.27,1.85,;-1.67,.36,;.62,3.74,;-.47,4.83,;2.1,4.14,;2.5,5.62,;3.97,6.1,;3.97,7.64,;5.11,8.67,;4.79,10.18,;3.33,10.65,;2.18,9.62,;2.5,8.12,;1.6,6.87,;-2.44,-2.69,;-.58,-6.19,;.91,-6.59,;1.31,-8.08,;.22,-9.17,;.62,-10.65,;-1.27,-8.77,;-1.67,-7.28,)|
CN1CCc2nc(NC(=O)c3ccc(cc3)-c3nc([C@H]4CC[C@H](O)CC4)n4ccnc(N)c34)sc2C1 |r,wU:19.19,wD:22.23,(3.01,11.41,;3.33,9.9,;4.79,9.42,;5.11,7.92,;3.97,6.89,;3.97,5.35,;2.5,4.87,;2.1,3.38,;.62,2.99,;-.47,4.07,;.22,1.5,;1.31,.41,;.91,-1.08,;-.58,-1.48,;-1.67,-.39,;-1.27,1.1,;-.98,-2.96,;-.07,-4.21,;-.98,-5.46,;-.58,-6.94,;.91,-7.34,;1.31,-8.83,;.22,-9.92,;.62,-11.41,;-1.27,-9.52,;-1.67,-8.03,;-2.44,-4.98,;-3.78,-5.75,;-5.11,-4.98,;-5.11,-3.44,;-3.78,-2.67,;-3.78,-1.13,;-2.44,-3.44,;1.6,6.12,;2.5,7.36,;2.18,8.87,)|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H]3CC[C@H](O)CC3)n3ccnc(N)c23)c1 |r,wU:19.19,wD:22.23,(-.4,9.57,;1.08,9.97,;2.17,8.88,;3.66,9.28,;4.75,8.19,;4.35,6.7,;2.86,6.31,;2.46,4.82,;.98,4.42,;-.11,5.51,;.58,2.93,;1.67,1.84,;1.27,.36,;-.22,-.04,;-1.31,1.05,;-.91,2.53,;-.62,-1.53,;.29,-2.78,;-.62,-4.02,;-.22,-5.51,;1.27,-5.91,;1.67,-7.4,;.58,-8.48,;.98,-9.97,;-.91,-8.09,;-1.31,-6.6,;-2.08,-3.55,;-3.42,-4.32,;-4.75,-3.55,;-4.75,-2.01,;-3.42,-1.24,;-3.42,.3,;-2.08,-2.01,;1.77,7.4,)|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)-c3ccccc3)c12)[C@H]1CC[C@H](O)CC1 |r,wU:31.35,wD:34.39,(-3.42,-.98,;-3.42,-2.52,;-4.75,-3.29,;-4.75,-4.83,;-3.42,-5.6,;-2.08,-4.83,;-.62,-5.31,;.29,-4.06,;-.62,-2.82,;-.22,-1.33,;1.27,-.93,;1.67,.56,;.58,1.64,;-.91,1.25,;-1.31,-.24,;.98,3.13,;-.11,4.22,;2.46,3.53,;2.86,5.02,;1.77,6.11,;2.17,7.59,;3.66,7.99,;4.75,6.9,;4.35,5.42,;1.08,8.68,;1.48,10.17,;.39,11.26,;-1.09,10.86,;-1.49,9.37,;-.4,8.29,;-2.08,-3.29,;-.22,-6.8,;1.27,-7.2,;1.67,-8.68,;.58,-9.77,;.98,-11.26,;-.91,-9.37,;-1.31,-7.89,)|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)N3CCCC3)c12)[C@H]1CC[C@H](O)CC1 |r,wU:30.34,wD:33.38,(-3.42,-.88,;-3.42,-2.42,;-4.75,-3.19,;-4.75,-4.73,;-3.42,-5.5,;-2.08,-4.73,;-.62,-5.21,;.29,-3.96,;-.62,-2.71,;-.22,-1.23,;1.27,-.83,;1.67,.66,;.58,1.75,;-.91,1.35,;-1.31,-.14,;.98,3.24,;-.11,4.32,;2.46,3.63,;2.86,5.12,;1.77,6.21,;2.17,7.7,;3.66,8.1,;4.75,7.01,;4.35,5.52,;1.08,8.79,;1.56,10.25,;.31,11.16,;-.93,10.25,;-.46,8.79,;-2.08,-3.19,;-.22,-6.69,;1.27,-7.09,;1.67,-8.58,;.58,-9.67,;.98,-11.16,;-.91,-9.27,;-1.31,-7.78,)|
Nc1nccn2c(nc(-c3ccc(C(=O)Nc4ccccn4)c4ccccc34)c12)[C@H]1CC[C@H](O)CC1 |r,wU:29.33,wD:32.37,(-3.42,.65,;-3.42,-.89,;-4.75,-1.66,;-4.75,-3.2,;-3.42,-3.97,;-2.08,-3.2,;-.62,-3.68,;.29,-2.43,;-.62,-1.18,;-.22,.3,;-1.31,1.39,;-.91,2.88,;.58,3.28,;.98,4.77,;-.11,5.85,;2.46,5.16,;2.86,6.65,;1.77,7.74,;2.17,9.23,;3.66,9.63,;4.75,8.54,;4.35,7.05,;1.67,2.19,;3.15,2.59,;4.24,1.5,;3.85,.01,;2.36,-.39,;1.27,.7,;-2.08,-1.66,;-.22,-5.16,;1.27,-5.56,;1.67,-7.05,;.58,-8.14,;.98,-9.63,;-.91,-7.74,;-1.31,-6.25,)|
Nc1nccn2c(nc(-c3ccc(C(=O)Nc4ccccn4)c(Cl)c3)c12)[C@H]1CC[C@H](O)CC1 |r,wU:26.29,wD:29.33,(-3.42,.65,;-3.42,-.89,;-4.75,-1.66,;-4.75,-3.2,;-3.42,-3.97,;-2.08,-3.2,;-.62,-3.68,;.29,-2.43,;-.62,-1.18,;-.22,.3,;-1.31,1.39,;-.91,2.88,;.58,3.28,;.98,4.77,;-.11,5.85,;2.46,5.16,;2.86,6.65,;1.77,7.74,;2.17,9.23,;3.66,9.63,;4.75,8.54,;4.35,7.05,;1.67,2.19,;3.15,2.59,;1.27,.7,;-2.08,-1.66,;-.22,-5.16,;1.27,-5.56,;1.67,-7.05,;.58,-8.14,;.98,-9.63,;-.91,-7.74,;-1.31,-6.25,)|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C1CCOCC1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)[N+]#[C-])c12)C1CCOCC1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCOCC1
CCc1cnc(NC(=O)c2ccc(cc2)-c2nc(C3CCOCC3)n3ccnc(N)c23)s1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccs3)c12)C1CCOCC1
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3[C@H]4COC[C@@H]34)n3ccnc(N)c23)c1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1[C@H]2COC[C@@H]12 |r|
CC1CCc2nc(NC(=O)c3ccc(cc3)-c3nc([C@@H]4[C@H]5COC[C@@H]45)n4ccnc(N)c34)sc2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)[N+]#[C-])c12)C1CCOC1
CC1(C)CC(CCO1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
CC1(C)CC(CCO1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc(C3CCOC(C)(C)C3)n3ccnc(N)c23)c1
CC1(C)CC(CCO1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)[N+]#[C-])c2c(N)nccn12
CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@H]3CC[C@@H](CC3)OC(C)=O)n3ccnc(N)c23)s1 |r,wU:18.18,wD:21.25,(1.19,11.62,;2.68,11.22,;3.07,9.73,;4.54,9.25,;4.54,7.71,;3.07,7.24,;2.68,5.75,;1.19,5.35,;.1,6.44,;.79,3.86,;1.88,2.78,;1.48,1.29,;-.01,.89,;-1.1,1.98,;-.7,3.47,;-.41,-.6,;.5,-1.84,;-.41,-3.09,;-.01,-4.58,;1.48,-4.98,;1.88,-6.46,;.79,-7.55,;-.7,-7.15,;-1.1,-5.67,;1.19,-9.04,;.1,-10.13,;.5,-11.62,;-1.39,-9.73,;-1.87,-2.61,;-3.2,-3.38,;-4.54,-2.61,;-4.54,-1.07,;-3.2,-.3,;-3.2,1.24,;-1.87,-1.07,;2.17,8.48,)|
CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@@H](CC3)OC)n3ccnc(N)c23)s1 |r,wU:18.18,21.25,(1.19,10.87,;2.68,10.47,;3.07,8.99,;4.54,8.51,;4.54,6.97,;3.07,6.49,;2.68,5.01,;1.19,4.61,;.1,5.7,;.79,3.12,;1.88,2.03,;1.48,.54,;-.01,.15,;-1.1,1.23,;-.7,2.72,;-.41,-1.34,;.5,-2.59,;-.41,-3.83,;-.01,-5.32,;-1.1,-6.41,;-.7,-7.9,;.79,-8.3,;1.88,-7.21,;1.48,-5.72,;1.19,-9.78,;.1,-10.87,;-1.87,-3.36,;-3.2,-4.13,;-4.54,-3.36,;-4.54,-1.82,;-3.2,-1.05,;-3.2,.49,;-1.87,-1.82,;2.17,7.74,)|
CO[C@H]1CC[C@H](CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r,wU:5.8,2.1,(-.11,-10.52,;.98,-9.43,;.58,-7.94,;-.91,-7.54,;-1.31,-6.05,;-.22,-4.96,;1.27,-5.36,;1.67,-6.85,;-.62,-3.48,;.29,-2.23,;-.62,-.99,;-.22,.5,;1.27,.9,;1.67,2.39,;.58,3.48,;-.91,3.08,;-1.31,1.59,;.98,4.96,;-.11,6.05,;2.46,5.36,;2.86,6.85,;1.77,7.94,;2.17,9.43,;3.66,9.83,;4.75,8.74,;4.35,7.25,;1.08,10.52,;-.4,10.12,;1.48,12,;.69,9.03,;-2.08,-1.46,;-3.42,-.69,;-3.42,.85,;-4.75,-1.46,;-4.75,-3,;-3.42,-3.77,;-2.08,-3,)|
CO[C@H]1CC[C@H](CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)[N+]#[C-])c2c(N)nccn12 |r,wU:5.8,2.1,(-.11,-11.06,;.98,-9.97,;.58,-8.48,;-.91,-8.09,;-1.31,-6.6,;-.22,-5.51,;1.27,-5.91,;1.67,-7.4,;-.62,-4.02,;.29,-2.78,;-.62,-1.53,;-.22,-.04,;1.27,.36,;1.67,1.84,;.58,2.93,;-.91,2.53,;-1.31,1.05,;.98,4.42,;-.11,5.51,;2.46,4.82,;2.86,6.31,;1.77,7.4,;2.13,8.97,;3.66,9.28,;4.75,8.19,;4.35,6.7,;1.05,10.07,;-.02,11.17,;-2.08,-2.01,;-3.42,-1.24,;-3.42,.3,;-4.75,-2.01,;-4.75,-3.55,;-3.42,-4.32,;-2.08,-3.55,)|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@@H](CC3)OC)n3ccnc(N)c23)c1 |r,wU:20.20,23.27,(-1.49,10.86,;-.4,9.77,;1.08,10.17,;2.17,9.08,;3.66,9.48,;4.75,8.39,;4.35,6.9,;2.86,6.51,;2.46,5.02,;.98,4.62,;-.11,5.71,;.58,3.13,;1.67,2.04,;1.27,.56,;-.22,.16,;-1.31,1.25,;-.91,2.73,;-.62,-1.33,;.29,-2.58,;-.62,-3.82,;-.22,-5.31,;-1.31,-6.4,;-.91,-7.89,;.58,-8.29,;1.67,-7.2,;1.27,-5.71,;.98,-9.77,;-.11,-10.86,;-2.08,-3.35,;-3.42,-4.12,;-4.75,-3.35,;-4.75,-1.81,;-3.42,-1.04,;-3.42,.5,;-2.08,-1.81,;1.77,7.59,)|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C1CCCC1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)[N+]#[C-])c12)C1CCCC1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCC1
CCOC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CCNC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CS(=O)(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CC(C)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C#N)c2c(N)nccn12 |r|
CCNC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C#N)c2c(N)nccn12 |r|
CC(C)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC(CO)(CO)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCNC1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)OCc1ccccc1 |r|
CC(C)(C#N)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(C1)C(=O)C1CC(F)(F)C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(C1)C(=O)CN1CCOC1=O |r|
CN(C)C(=O)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r|
CC(C)CNC(=O)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r|
Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C2)c2nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c3c(N)nccn23)cc1C |r|
CCC(=O)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(C1)C(=O)C(=O)C(F)(F)F |r|
Cc1nnc(o1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(C1)C(=O)c1ccc(nc1)C#N |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(C1)C(=O)c1cc(cs1)C#N |r|
Nc6nccn7c([C@@H]2CCCN(C(=O)N1CCCC1)C2)nc(c5ccc(C(=O)Nc4cc(C3CC3)ccn4)cc5)c67
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(C1)C(=O)Nc1ccccc1Cl |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(C1)C(=O)NC12CC3CC(CC(C3)C1)C2 |r,TLB:46:37:44:40.41.42,36:37:44:40.41.42,THB:42:43:38:40.41.46,42:41:38:43.44.45,46:41:44:38.37.45|
Nc6nccn7c([C@@H]2CCCN(C(=O)OC1=CCCC=C1)C2)nc(c5ccc(C(=O)Nc4cc(C3CC3)ccn4)cc5)c67
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(C1)C(=O)C(=O)c1ccco1 |r|
CN(C)CCCC(=O)N1CC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CC(C)C(=O)N1CC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCN(C1)C(=O)C1CCOC1 |r,w:30.36|
CC(C)C(=O)N1CCC(CC1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
CCC(=O)NCC(C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |w:8.7|
CC(CNC(=O)OCc1ccccc1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |w:14.14|
Cn1cc(CN2CCC[C@H](C2)c2nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c3c(N)nccn23)cn1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN(CCC(F)(F)F)C1 |r|
CCOC(=O)C1CC1CN1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CCN1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(CC(O)CO)C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(CC2CC2)C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(Cc2ccncc2)C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(CC2CCOC2)C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(CC2CCCC2)C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(Cc2ccc[nH]2)C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(CC2CCOC2)C1 |r|
CCC(=O)N1C2CCC1C(C2)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |TLB:2:4:9.10:7.6,THB:11:9:7.6:4|
COCCC(=O)N1C2CCC1C(C2)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |TLB:4:6:11.12:9.8,THB:13:11:9.8:6|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CC2CCC1N2C(=O)OCc1ccccc1 |TLB:6:25:29.28:31|
COCCC(=O)N1CCC2(CC2c2nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c3c(N)nccn23)CC1 |w:12.12|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CC11CCN(CC1)C(=O)CO |w:6.28|
CCC(=O)N1CCC2(CC2c2nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c3c(N)nccn23)CC1 |w:10.10|
CCNC(=O)N[C@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCC[C@@H](C1)NC(=O)C1CC1 |r|
N[C@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COCCC(=O)N[C@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC(C)C(=O)N[C@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N[C@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCC(=O)N[C@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC(C)(F)C(=O)N[C@@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCC[C@H](C1)NC(=O)C1CC1 |r|
N[C@@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COCCC(=O)N[C@@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC(C)C(=O)N[C@@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N[C@@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCC[C@H](C1)NC(=O)C1CCCO1 |r|
CCC(=O)N[C@@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCC[C@H](C1)NC(=O)C1CCC1 |r|
CCC(=O)N1CCSC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |w:10.10|
CC(C)(F)C(=O)N1CCOC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |w:12.12|
COCCC(=O)N1CCOC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C1CN(CCO1)C(=O)C1CC1 |w:6.32|
CC1(COC1)C(=O)N1CCOC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |w:13.14|
CCNC(=O)N1CCOC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |w:11.11|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1C[C@H](O)CN(C1)C(=O)C1CC1 |r|
COCCC(=O)N1C[C@@H](O)C[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COCCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(=O)N1CCCCC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r|
C[C@@H]1CC[C@H](CN1C(=O)C1CCCO1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCNC(=O)N1C[C@@H](CC[C@H]1C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CSCCC(=O)N1C[C@@H](CC[C@H]1C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@@H]1CC[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCOCCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(=O)C1CCC1(F)F)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(=O)CC1CC1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CCNC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(=O)C1CCCO1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CSCCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(=O)CN1CCOC1=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(=O)C1CCC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r|
CSCCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r|
CCOC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r|
CCC(=O)C(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCNC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(=O)C1CC(F)(F)C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(=O)C1CCC1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CC(C)C(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CCOCCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc(N3CCC3)n3ccnc(N)c23)c1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)N1CCC1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)N1CCOCC1
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc(N3CCOCC3)n3ccnc(N)c23)c1
CCN(CC)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc(N(CC)CC)n3ccnc(N)c23)c1
CCN(CC)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)[N+]#[C-])c2c(N)nccn12
COC1CN(C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
CC1(COC1)C(=O)N[C@H]1CCCN(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COCCC(=O)N[C@@H]1CCCN(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)N1CCC[C@H](C1)NC(=O)C1CC1 |r|
CCNC(=O)N[C@@H]1CCCN(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)N1CCC[C@@H](C1)NC(=O)C1CC1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)N1CCC[C@@H](C1)NC(=O)C1CCC1 |r|
CC(C)NC(=O)C1CCCN(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)N1CCCC(C1)C(=O)NC1CC(F)(F)C1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)N1CCCC(C1)C(=O)NC[C@@H]1CCCO1 |r|
CC(C)(C)NC(=O)C1CCCN(C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)N1CCCC(C1)C(=O)N1CCOCC1
CCN(CC)C(=O)C1CCCN(C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)N1CCCC(C1)C(=O)NC[C@@H]1CCCO1 |r|
COCCNC(=O)C1CCCN(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)N1CCCC(C1)C(=O)NCC1CC1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)N1CCCC(C1)C(=O)N1CCOCC1
COC[C@H](C)NC(=O)C1CCCN(C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CCNC(=O)C1CCCN(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)N1CCCC(C1)C(=O)N[C@H]1CCOC1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)N1CCCC(C1)C(=O)N[C@@H]1CCOC1 |r|
CSCCNC(=O)C1CCCN(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
CS(=O)(=O)CCNC(=O)C1CCCN(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
COC[C@H](C)NC(=O)C1CCCN(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r|
CONC(=O)C1CCCN(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)N1CCCC(C1)C(=O)N1CCCC(F)(F)C1
CONC(=O)C1CCCN(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)N1CCCC(C1)C(=O)NCC1CC1
CCN(CC)C(=O)C1CCCN(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)N1CCCC(C1)C(=O)N1CCCC1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C#N)c12)C1CCc2[nH]nc(C3CC3)c2C1
COCc1n[nH]c2CCC(Cc12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
CCNC(=O)N1CCCC(C1)c1cc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnn12 |w:11.11|
CC1(COC1)C(=O)N1CCCC(C1)c1cc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnn12 |w:13.14|
CCOC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnn12 |r|
CCNC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnn12 |r|
CC(C)(F)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnn12 |r|
Nc1ncnn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCNC1 |r|
CCOCCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnn12 |r|
Nc1ncnn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1CC(F)(F)C1 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnn12 |r|
CC(C)(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
COCCOCCOCCOCCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C(Cl)(Cl)Cl |r|
CC1(CCC1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
CCNC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1CC1 |r|
CC(C)(F)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
CCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
COCC1(CCC1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
CCOC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C(F)(F)F |r|
COCCOCCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
CSCCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1CCC1 |r|
Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1CC(F)(F)C1 |r|
CC(C)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
COCCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
CCOCCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
COCCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2C(F)(F)F)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
COCCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
COCCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2C)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
COCCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(C(=O)Nc3ccccn3)c(C)c2)c2c(N)nccn12 |r|
COCCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(nc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
COCCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cn2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(C1)C(=O)[C@H](O)CO |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cnccn2)c2c(N)nccn12 |r|
COCCCNC(=O)c1cnc(N)c2c(nc(C)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F
CN(C)C(=O)c1cnc(N)c2c(nc(C)n12)-c1ccc(cc1)C(=O)Nc1cc(F)ccn1
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc(C)n3c(cnc(N)c23)C(=O)NCCCOC)c1
CN1CCC(CC1)NC(=O)c1cnc(N)c2c(nc(C)n12)-c1ccc(cc1)C(=O)Nc1cc(F)ccn1
Cc1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C(=O)NCc3cccnc3)n12
Cc1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C(=O)NCc3cnco3)n12
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc(C3CCOCC3)n3c(Cl)cnc(N)c23)c1
COC(=O)c1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C(O)=O)n12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C=C)n12 |r|
COCCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Cc1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCNC1 |r|
CCc1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(\C=C\c3ccccc3)n12 |r|
COCCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(\C=C\c3ccccc3)n12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(-c3ccco3)n12 |r|
COC(=O)c1cnc(N)c2c(nc(C)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F
Nc1ncc(\C=C\c2ccccc2)n2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCOCC1
COCCC(=O)N1CCOC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |w:12.12|
CC1(COC1)C(=O)N1CCOC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |w:13.14|
Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C1CN(CCO1)C(=O)C1(O)CCC1 |w:7.33|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(\C=C\c3ccc(F)cc3)n12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(CCc3ccccc3)n12 |r|
COc1cccc(c1)-c1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(-c3ccccc3)n12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C3=CCOCC3)n12 |r,t:45|
CC(C)CC(O)c1cnc(N)c2c(nc(C)n12)-c1ccc(cc1)C(=O)Nc1cc(F)ccn1 |w:4.4|
C[C@@H]1C[C@H](CN(C1)C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1C[C@@H](CC(F)(F)C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@@H]1CCN(C[C@@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(=O)C1(C)COC1 |r|
C[C@H]1CCN(C[C@@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(=O)C1(C)COC1 |r|
C[C@@H]1[C@@H](CCCN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H]1[C@@H](CCCN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)n1cc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C3(C)COC3)c3ncnc(N)c23)c1 |r|
C[C@@H]1CC[C@@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H](C)N(C2)C(=O)C2(C)COC2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(C)ccn2)c2c(N)nccn12 |r|
COc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H](C)N(C3)C(=O)C3(C)COC3)n3ccnc(N)c23)c1 |r|
CCOc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H](C)N(C3)C(=O)C3(C)COC3)n3ccnc(N)c23)c1 |r|
C[C@@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCN1C[C@H](CC[C@@H]1C(F)(F)F)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H]1CC[C@@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1ncc(F)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1CC1 |r|
Cc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@@H]2CCCN(C2)C(=O)C2(C)COC2)n2ccnc(N)c12 |r|
COCCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2O)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Cc1cc(ccc1-c1nc([C@@H]2CCCN(C2)C(=O)C2(C)COC2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Cn1cc(CN2CCO[C@H](C2)c2nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c3c(N)nccn23)cn1 |r|
CCN1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CN1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Cn1cc(CN2CCO[C@H](C2)c2nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c3c(N)nccn23)cn1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C(=O)C1(N)CCC1 |r|
COCC1(CCC1)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CN1CCN(C)[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Cn1cc(CN2CCN[C@H](C2)c2nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c3c(N)nccn23)cn1 |r|
CC1(CC1)C(=O)N1CCN[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COCCC(=O)N1CCN[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Cn1cc(CN2CCSC(C2)c2nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c3c(N)nccn23)cn1
CN1CCSC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C1CN(CCS1)C(=O)C1(CC1)C#N
COCCC(=O)N1CCSC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
CC1(COC1)C(=O)N1CCCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1ncc(Br)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1CC1 |r|
CC1(COC1)C(=O)N1CCCC(C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
COc1ccc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n3ccnc(N)c23)nc1 |r|
CC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(C)ccn2)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(cn2)C#N)c2c(N)nccn12 |r|
CC(C)N1CC(C1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)c1cnsn1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)CCC(F)(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)CC(F)(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)c1cnsc1 |r|
COCC1(CC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1(CC1)C#N |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)c1cnccn1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)[C@@H]1CC(F)(F)CN1 |r|
CC1(CN2CCC[C@H](C2)c2nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c3c(N)nccn23)COC1 |r|
CCOCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CN1CCC[C@H]1C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1(O)CC1 |r|
CCC(O)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1CC1(F)F |r|
C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)F)c2c(N)nccn12 |r|
C[C@@H](O)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CN(C)CC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CN1CC[C@H](C1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CS(=O)(=O)CC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cscn2)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(F)cn2)c2c(N)nccn12 |r|
Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n3ccnc(N)c23)c1 |r|
Cc1cc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n3ccnc(N)c23)no1 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CCC2)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(cn2)C(F)F)c2c(N)nccn12 |r|
Cc1ccc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n3ccnc(N)c23)nc1 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cccnn2)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(Cl)cn2)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(cn2)C(F)(F)F)c2c(N)nccn12 |r|
Cc1cc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n3ccnc(N)c23)ncc1F |r|
COc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n3ccnc(N)c23)n1 |r|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n3ccnc(N)c23)c1 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ncc3CCCc3n2)c2c(N)nccn12 |r|
Cn1ccc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n3ccnc(N)c23)n1 |r|
Cc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n3ccnc(N)c23)s1 |r|
Cc1nc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n3ccnc(N)c23)sc1C |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ncns2)c2c(N)nccn12 |r|
CC(C)(C)c1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n3ccnc(N)c23)s1 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)N\C(=C\S)C=N)c2c(N)nccn12 |r|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C3(O)CC3)n3ccnc(N)c23)c1 |r|
CCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(OC)ccn2)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)c12 |r|
COCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12 |r|
Nc1nccc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1CC1 |r|
CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12 |r|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C3(C)COC3)c3ccnc(N)c23)c1 |r|
Cc1ccnc(NC(=O)c2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C3(C)COC3)c3ccnc(N)c23)c1 |r|
COc1ccnc(NC(=O)c2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C3(C)COC3)c3ccnc(N)c23)c1 |r|
COCCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(C(=O)Nc3cc(ccn3)C(F)(F)F)c(F)c2)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COCCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C1CCC(N(C1)C(=O)C1CC1)C(F)(F)F
C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(C(=O)Nc3cc(ccn3)C(F)(F)F)c(Cl)c2)c2c(N)nccn12 |r|
CCN1C[C@H](CC[C@@H]1C(F)(F)F)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(OC3CC3)ccn2)c2c(N)nccn12 |r|
CN1C[C@H](CC[C@@H]1C(F)(F)F)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CN1C[C@H](CC[C@@H]1C(F)(F)F)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CNC(=O)N1C[C@H](CC[C@@H]1C(F)(F)F)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(C)(F)F)c2c(N)nccn12 |r|
CN1C[C@H](CC[C@H]1C(F)(F)F)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCC(=O)N1C[C@H](CC[C@@H]1C(F)(F)F)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1C[C@@H](CC[C@@H]1C(F)F)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC(C)COc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H](C)N(C3)C(=O)C3(C)COC3)n3ccnc(N)c23)c1 |r|
C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(OCC(F)(F)F)ccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H](CO)N(C1)C(=O)C1CC1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(F)ccn3)c12)[C@H]1CC[C@@H](N(C1)C(=O)C1CC1)C(F)(F)F |r|
Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H]3CC[C@@H](N(C3)C(=O)C3CC3)C(F)(F)F)n3ccnc(N)c23)c1 |r|
CN(C)C(=O)N1C[C@H](CC[C@@H]1C(F)(F)F)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC(=O)N1C[C@H](CC[C@@H]1C(F)(F)F)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COC[C@@H]1CC[C@@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COC[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COC(=O)N1C[C@H](CC[C@@H]1C(F)(F)F)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(C)=O)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)F)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H](N(CCO)C1)C(F)(F)F |r|
CC1(COC1)C(=O)N1CCC[C@](C)(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@](O)(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r|
Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)CO |r|
COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r|
Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C=O |r|
COc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n3c(Cl)cnc(N)c23)c1 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C#N)c2c(N)ncc(Cl)n12 |r|
Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n3c(Cl)cnc(N)c23)c1 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r|
Cc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4c(Cl)cnc(N)c34)c(F)c2)c1 |r|
COCc1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
COCc1cnc(N)c2c(nc([C@@H]3CC[C@H](C)N(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
COCc1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1F)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(COC)n12 |r|
Cc1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(C)(F)F |r|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n3c(C)cnc(N)c23)c1 |r|
Cc1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(OC2CC2)ccn1 |r|
Cc1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3CC3)n12)-c1ccc(cc1)C(=O)Nc1cc(OC2CC2)ccn1 |r|
Cc1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)F |r|
COc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4c(C)cnc(N)c34)c(F)c2)c1 |r|
COc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(C)=O)n3c(C)cnc(N)c23)c1 |r|
C[C@H]1CC[C@H](CN1C(C)=O)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)F)c2c(N)ncc(C)n12 |r|
C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)F)c2c(N)ncc(C)n12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C=O)n12 |r|
C[C@@H](O)c1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
C[C@H](O)c1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CO[C@H](C)c1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CO[C@@H](C)c1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(n12)C1(O)COC1 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(n12)C(F)(F)F |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(CO)n12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(C(=O)Nc3cc(ccn3)C(F)(F)F)c(F)c2)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(C(=O)Nc3cc(ccn3)C(F)(F)F)c(Cl)c2)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(C(=O)Nc3cc(ccn3)C(F)(F)F)c(F)c2)c2c(N)nccn12 |r|
COc1cc(ccc1-c1nc([C@@H]2CCCN(C2)C(=O)C2(C)COC2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(OC(F)F)ccn2)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)F)c2c(N)nccn12 |r|
CCCOc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4ccnc(N)c34)c(F)c2)c1 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C#N)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(OC3CC3)ccn2)c2c(N)nccn12 |r|
CC(F)(F)c1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4ccnc(N)c34)c(F)c2)c1 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(Cl)ccn2)c2c(N)nccn12 |r|
CC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)NC1CC1 |r|
CCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2OC)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CN1CC(C1)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CSCCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCOCCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CNCCO1 |r|
CC1(COC1)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r|
Cc1cnc(N)c2c(nc([C@H]3CN(CCO3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CC1(CN2CCO[C@H](C2)c2nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c3c(N)nccn23)COC1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CC2CC2)CCO1 |r|
Cc1cnc(N)c2c(nc([C@H]3CN(Cc4cnn(C)c4)CCO3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
COCCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C)n12 |r|
CCN1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C)n12 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C(=O)C1CC1 |r|
CC1(COC1)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Cc1cnc(N)c2c(nc([C@H]3CN(CCO3)C(=O)C3(C)COC3)n12)-c1ccc(cc1F)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
C[C@H]1CO[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H]1CO[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C(=O)CO |r|
CCOCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H](O)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@@H](O)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCN1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r|
C[C@H](O)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r|
C[C@@H](O)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r|
Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C(=O)C1(O)CC1 |r|
Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CC(F)(F)F)CCO1 |r|
CC1(COC1)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C#N)n12 |r|
COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r|
COCCOCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r|
CC1(COC1)C(=O)N1CCO[C@@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CC#N)CCO1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCC#N)CCO1 |r|
Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CC#N)CCO1 |r|
CCN1CCO[C@@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO)CCO1 |r|
COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C)n12 |r|
CCOCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C)n12 |r|
Cc1cnc(N)c2c(nc([C@H]3CN(CCO3)C(=O)C(F)F)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
COCCN1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C)n12 |r|
Cc1cnc(N)c2c(nc([C@H]3CN(CCO)CCO3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOCCN1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C)n12 |r|
COCCN1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r|
C[C@H](O)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C)n12 |r|
C[C@@H](O)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C)n12 |r|
CS(=O)(=O)CC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN[C@@H](CO)CO1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CN[C@H](CO)CO1 |r|
Cn1cc(CN2C[C@@H](OC[C@@H]2CO)c2nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c3c(N)nccn23)cn1 |r|
CCN1C[C@@H](OC[C@@H]1CO)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C1COC1 |r|
COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H](NC1)C(F)(F)F |r|
CCN1CCC(CC1=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COCCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
NC(=O)c1c2NCCC(c3cccc(NC(=O)CCCl)c3)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCC3CN(CC[C@H]3n2nc1-c1ccc(Oc2ccccc2)cc1)C(=O)C=C |r|
NC(=O)c1c2NCC3CN(CC[C@@H]3n2nc1-c1ccc(Oc2ccccc2)cc1)C(=O)C=C |r|
NC(=O)c1c2NCCc3cc(NC(=O)C=C)ccc3-n2nc1-c1ccc(Oc2ccccc2)cc1
CC(C)(C)OC(=O)N1C[C@H]2CNc3c(C(N)=O)c(nn3[C@H]2C1)-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c2NCCC3(CN(C3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)\C=C\CN3CCN(CCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@H]4SC[C@H]5CC(=O)N[C@@H]45)CC3)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C(=CC3CC3)[N+]#[C-])n2nc1-c1ccc(Oc2ccccc2)cc1 |r,w:18.19|
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)[C@@]1(C)CC[C@@H]2COC(=O)N2C1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)[C@@]1(C)CC[C@@H]2COC(=O)N2C1)C(=O)Nc1cc(n(C)n1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)[C@@]1(C)CC[C@@H]2CN(CC(=O)N2C1)C(C)C)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)[C@@]1(C)CC[C@@H]2CN(CC(=O)N2C1)C(C)C)C(=O)Nc1cc(n(C)n1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)C1(CC)CCC2CCN(CC)C(=O)N2C1)C(=O)Nc1cc(ccn1)C(F)(F)F
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)[C@]1(C)CC[C@H]2COC(=O)N2C1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)[C@]1(C)CC[C@H]2COC(=O)N2C1)C(=O)Nc1cc(n(C)n1)C(F)(F)F |r|
C[C@]1(CC[C@H]2COC(=O)N2C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@]1(CC[C@H]2COC(=O)N2C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r|
CCOc1cc(cc(F)c1-c1nc(n2ccnc(N)c12)[C@]1(C)CC[C@H]2COC(=O)N2C1)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wD:24.27,20.23,(1.56,-3.33,;.47,-2.24,;.87,-.75,;-.22,.34,;.18,1.82,;-.91,2.91,;-2.4,2.51,;-2.8,1.03,;-4.28,1.42,;-1.71,-.06,;-2.1,-1.55,;-1.2,-2.8,;-2.1,-4.04,;-3.57,-3.57,;-4.9,-4.34,;-6.24,-3.57,;-6.24,-2.03,;-4.9,-1.26,;-4.9,.28,;-3.57,-2.03,;-1.71,-5.53,;-3.19,-5.13,;-2.95,-6.44,;-2.79,-7.97,;-1.38,-8.59,;-.91,-10.06,;.63,-10.06,;1.11,-8.59,;2.44,-7.82,;-.14,-7.69,;-.3,-6.16,;-.51,4.4,;-1.6,5.49,;.98,4.8,;1.38,6.29,;2.86,6.68,;3.26,8.17,;2.17,9.26,;.69,8.86,;.29,7.37,;4.75,8.57,;5.84,7.48,;5.15,10.06,;6.24,8.97,)|
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)C1(C)CCC2CCN(C)C(=O)N2C1)C(=O)Nc1cc(ccn1)C(F)(F)F
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)[C@]1(C)CC[C@H]2CN(CC(=O)N2C1)C(C)C)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)[C@]1(C)CC[C@H]2CN(CC(=O)N2C1)C(C)C)C(=O)Nc1cc(n(C)n1)C(F)(F)F |r|
CCOc1cc(C(=O)Nc2cc(n(C)n2)C(F)(F)F)c(Cl)cc1-c1nc(n2ccnc(N)c12)[C@]1(C)CC[C@H]2CN(CC(=O)N2C1)C(C)C |r|
C[C@]1(CC[C@H]2COC(=O)N2C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)[C@]1(C)CC[C@H]2CCC(=O)N2C1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
COc1cc(ccc1-c1nc(n2ccnc(N)c12)[C@]1(C)CC[C@H]2CCC(=O)N2C1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3CC(F)(F)CCc3[nH]c12 |(.48,5.78,;-.86,5,;-2.19,5.77,;-.86,3.46,;.48,2.69,;.48,1.15,;1.81,.38,;-.86,.38,;-.86,-1.16,;-2.19,-1.93,;-2.19,-3.47,;-.86,-4.24,;.48,-3.47,;1.81,-4.24,;3.14,-3.47,;3.14,-1.93,;1.81,-1.16,;.48,-1.93,;4.48,-4.24,;4.48,-5.78,;5.81,-3.47,;7.15,-4.24,;-2.19,1.15,;-3.65,.68,;-4.28,-.73,;-5.81,-.89,;-5.81,-2.43,;-7.15,-1.66,;-6.72,.36,;-6.09,1.76,;-4.56,1.92,;-3.65,3.17,;-2.19,2.69,)|
NC(=O)c1cc(F)c(-c2cccc3N(CCOc23)C(=O)C=C)c2c3ccccc3[nH]c12 |(2.26,6.93,;.93,6.16,;-.4,6.93,;.93,4.62,;2.26,3.85,;2.26,2.31,;3.6,1.54,;.93,1.54,;.93,,;-.4,-.77,;-.4,-2.31,;.93,-3.08,;2.26,-2.31,;3.6,-3.08,;4.93,-2.31,;4.93,-.77,;3.6,,;2.26,-.77,;3.6,-4.62,;2.26,-5.39,;4.93,-5.39,;4.93,-6.93,;-.4,2.31,;-1.87,1.83,;-2.49,.43,;-4.03,.27,;-4.93,1.51,;-4.3,2.92,;-2.77,3.08,;-1.87,4.33,;-.4,3.85,)|
NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccccc3[nH]c12 |(.26,5.78,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.93,;-2.4,-3.47,;-1.07,-4.24,;.26,-3.47,;1.6,-4.24,;2.93,-3.47,;2.93,-1.93,;1.6,-1.16,;.26,-1.93,;4.26,-4.24,;4.26,-5.78,;5.6,-3.47,;6.93,-4.24,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)|
NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F |(1.75,5.78,;.42,5,;-.92,5.77,;.42,3.46,;1.75,2.69,;1.75,1.15,;3.08,.38,;.42,.38,;.42,-1.16,;-.92,-1.93,;-.92,-3.47,;.42,-4.24,;1.75,-3.47,;3.08,-4.24,;4.42,-3.47,;4.42,-1.93,;3.08,-1.16,;1.75,-1.93,;5.75,-4.24,;5.75,-5.78,;7.09,-3.47,;8.42,-4.24,;-.92,1.15,;-2.38,.68,;-3.01,-.73,;-4.54,-.89,;-5.44,.36,;-4.82,1.76,;-3.29,1.92,;-2.38,3.17,;-.92,2.69,;-6.98,.2,;-8.51,.04,;-7.14,1.73,;-6.81,-1.34,)|
CC(C)(O)[C@H]1CCc2c(C1)[nH]c1c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c21)C(N)=O |r,wD:4.3,(-6.93,-1.58,;-6.93,-.04,;-8.42,-.44,;-8.02,1.05,;-5.44,.36,;-4.54,-.89,;-3.01,-.73,;-2.38,.68,;-3.29,1.92,;-4.82,1.76,;-2.38,3.17,;-.92,2.69,;.42,3.46,;1.75,2.69,;1.75,1.15,;3.08,.38,;.42,.38,;.42,-1.16,;-.92,-1.93,;-.92,-3.47,;.42,-4.24,;1.75,-3.47,;3.08,-4.24,;4.42,-3.47,;4.42,-1.93,;3.08,-1.16,;1.75,-1.93,;5.75,-4.24,;5.75,-5.78,;7.09,-3.47,;8.42,-4.24,;-.92,1.15,;.42,5,;1.75,5.78,;-.92,5.77,)|
NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3CCC(Cc3[nH]c12)C(F)(F)F |(1.75,5.78,;.42,5,;-.92,5.77,;.42,3.46,;1.75,2.69,;1.75,1.15,;3.08,.38,;.42,.38,;.42,-1.16,;-.92,-1.93,;-.92,-3.47,;.42,-4.24,;1.75,-3.47,;3.08,-4.24,;4.42,-3.47,;4.42,-1.93,;3.08,-1.16,;1.75,-1.93,;5.75,-4.24,;5.75,-5.78,;7.09,-3.47,;8.42,-4.24,;-.92,1.15,;-2.38,.68,;-3.01,-.73,;-4.54,-.89,;-5.44,.36,;-4.82,1.76,;-3.29,1.92,;-2.38,3.17,;-.92,2.69,;-6.98,.2,;-8.51,.04,;-7.14,1.73,;-6.81,-1.34,)|
NC(=O)c1cc(F)c(-c2cccc3N(CCCOc23)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F |(3.4,7.13,;2.06,6.36,;.73,7.13,;2.06,4.82,;3.4,4.05,;3.4,2.51,;4.73,1.74,;2.06,1.74,;2.06,.2,;.73,-.57,;.73,-2.11,;2.06,-2.88,;3.4,-2.11,;4.6,-3.07,;6.1,-2.73,;6.77,-1.34,;6.1,.05,;4.6,.39,;3.4,-.57,;4.2,-4.56,;2.72,-4.95,;5.29,-5.64,;4.89,-7.13,;.73,2.51,;-.73,2.04,;-1.36,.63,;-2.89,.47,;-3.8,1.71,;-3.17,3.12,;-1.64,3.28,;-.73,4.53,;.73,4.05,;-5.33,1.55,;-6.86,1.39,;-5.49,3.09,;-5.17,.02,)|
NC(=O)c1cc(F)c(-c2cccc3N(CCSc23)C(=O)C=C)c2c3ccccc3[nH]c12 |(1.6,6.16,;.26,5.39,;-1.07,6.16,;.26,3.85,;1.6,3.08,;1.6,1.54,;2.93,.77,;.26,.77,;.26,-.77,;-1.07,-1.54,;-1.07,-3.08,;.26,-3.85,;1.6,-3.08,;2.93,-3.85,;4.26,-3.08,;4.26,-1.54,;2.93,-.77,;1.6,-1.54,;2.93,-5.39,;1.6,-6.16,;4.26,-6.16,;5.6,-5.39,;-1.07,1.54,;-2.53,1.06,;-3.16,-.34,;-4.69,-.5,;-5.6,.74,;-4.97,2.15,;-3.44,2.31,;-2.53,3.56,;-1.07,3.08,)|
NC(=O)c1cc(Cl)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccccc3[nH]c12 |(.26,5.78,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.93,;-2.4,-3.47,;-1.07,-4.24,;.26,-3.47,;1.6,-4.24,;2.93,-3.47,;2.93,-1.93,;1.6,-1.16,;.26,-1.93,;4.26,-4.24,;4.26,-5.78,;5.6,-3.47,;6.93,-4.24,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)|
NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccc(CCO)cc3[nH]c12 |(1.95,5.77,;.62,5,;-.72,5.77,;.62,3.46,;1.95,2.69,;1.95,1.15,;3.28,.38,;.62,.38,;.62,-1.16,;-.72,-1.92,;-.72,-3.46,;.62,-4.23,;1.95,-3.46,;3.28,-4.23,;4.62,-3.46,;4.62,-1.92,;3.28,-1.16,;1.95,-1.92,;5.95,-4.23,;5.95,-5.77,;7.28,-3.46,;8.62,-4.23,;-.72,1.15,;-2.18,.68,;-2.81,-.73,;-4.34,-.89,;-5.24,.36,;-6.73,-.04,;-7.13,-1.53,;-8.62,-1.93,;-4.62,1.76,;-3.09,1.92,;-2.18,3.17,;-.72,2.69,)|
NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccc(CCF)cc3[nH]c12 |(1.95,5.77,;.62,5,;-.72,5.77,;.62,3.46,;1.95,2.69,;1.95,1.15,;3.28,.38,;.62,.38,;.62,-1.16,;-.72,-1.92,;-.72,-3.46,;.62,-4.23,;1.95,-3.46,;3.28,-4.23,;4.62,-3.46,;4.62,-1.92,;3.28,-1.16,;1.95,-1.92,;5.95,-4.23,;5.95,-5.77,;7.28,-3.46,;8.62,-4.23,;-.72,1.15,;-2.18,.68,;-2.81,-.73,;-4.34,-.89,;-5.24,.36,;-6.73,-.04,;-7.13,-1.53,;-8.62,-1.93,;-4.62,1.76,;-3.09,1.92,;-2.18,3.17,;-.72,2.69,)|
NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C#N)c2c3ccc(CCO)cc3[nH]c12 |(2.62,5.39,;1.28,4.62,;-.05,5.39,;1.28,3.08,;2.62,2.31,;2.62,.77,;3.95,,;1.28,,;1.28,-1.54,;-.05,-2.31,;-.05,-3.85,;1.28,-4.62,;2.62,-3.85,;3.95,-4.62,;5.28,-3.85,;5.28,-2.31,;3.95,-1.54,;2.62,-2.31,;6.62,-4.62,;7.95,-5.39,;-.05,.77,;-1.51,.29,;-2.14,-1.11,;-3.67,-1.27,;-4.58,-.03,;-6.07,-.43,;-6.46,-1.91,;-7.95,-2.31,;-3.95,1.38,;-2.42,1.54,;-1.51,2.79,;-.05,2.31,)|
CN(C)C(=O)c1ccc2c(c1)[nH]c1c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c21)C(N)=O |(-6.04,-2.62,;-7.13,-1.53,;-8.62,-1.93,;-6.73,-.04,;-7.82,1.05,;-5.24,.36,;-4.34,-.89,;-2.81,-.73,;-2.18,.68,;-3.09,1.92,;-4.62,1.76,;-2.18,3.17,;-.72,2.69,;.62,3.46,;1.95,2.69,;1.95,1.15,;3.28,.38,;.62,.38,;.62,-1.16,;-.72,-1.92,;-.72,-3.46,;.62,-4.23,;1.95,-3.46,;3.28,-4.23,;4.62,-3.46,;4.62,-1.92,;3.28,-1.16,;1.95,-1.92,;5.95,-4.23,;5.95,-5.77,;7.28,-3.46,;8.62,-4.23,;-.72,1.15,;.62,5,;1.95,5.77,;-.72,5.77,)|
NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3cc(Cl)ccc3[nH]c12 |(.26,5.77,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.92,;-2.4,-3.46,;-1.07,-4.23,;.26,-3.46,;1.6,-4.23,;2.93,-3.46,;2.93,-1.92,;1.6,-1.16,;.26,-1.92,;4.26,-4.23,;4.26,-5.77,;5.6,-3.46,;6.93,-4.23,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.8,-2.22,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)|
NC(=O)c1cc(Cl)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccccc3[nH]c12 |(.26,5.77,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.92,;-2.4,-3.46,;-1.07,-4.23,;.26,-3.46,;1.6,-4.23,;2.93,-3.46,;2.93,-1.92,;1.6,-1.16,;.26,-1.92,;4.26,-4.23,;4.26,-5.77,;5.6,-3.46,;6.93,-4.23,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)|
NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3cnccc3[nH]c12 |(.26,5.77,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.92,;-2.4,-3.46,;-1.07,-4.23,;.26,-3.46,;1.6,-4.23,;2.93,-3.46,;2.93,-1.92,;1.6,-1.16,;.26,-1.92,;4.26,-4.23,;4.26,-5.77,;5.6,-3.46,;6.93,-4.23,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)|
NC(=O)c1cc(Cl)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3CCCCc3[nH]c12 |(.26,5.77,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.92,;-2.4,-3.46,;-1.07,-4.23,;.26,-3.46,;1.6,-4.23,;2.93,-3.46,;2.93,-1.92,;1.6,-1.16,;.26,-1.92,;4.26,-4.23,;4.26,-5.77,;5.6,-3.46,;6.93,-4.23,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)|
NC(=O)c1cc(Cl)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3CNCCc3[nH]c12 |(.26,5.77,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.92,;-2.4,-3.46,;-1.07,-4.23,;.26,-3.46,;1.6,-4.23,;2.93,-3.46,;2.93,-1.92,;1.6,-1.16,;.26,-1.92,;4.26,-4.23,;4.26,-5.77,;5.6,-3.46,;6.93,-4.23,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCC[C@@H](C1)C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@H]1CCC[C@H](C1)C(O)=O |r|
COc1cc(ccc1-c1nc([C@H]2CCC[C@H](C2)C(O)=O)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCC[C@@H](C3)C(O)=O)n3ccnc(N)c23)c1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCC[C@@H](C1)C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCC[C@@H](C1)C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCC[C@@H](C1)C(O)=O |r|
COc1cc(ccc1-c1nc([C@@H]2CCC[C@@H](C2)C(O)=O)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(OC4CC4)ccn3)c12)[C@@H]1CCC[C@@H](C1)C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@@H](C1)C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@H](C1)C(O)=O |r|
CC(C)(NC(=O)[C@H]1CC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@@H](C1)C(=O)NC1(CC1)C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@H](C1)C(=O)N1CCC[C@H]1C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@H](C1)C(=O)N1CCC[C@@H]1C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@H](C1)C(=O)N1CC[C@H](C1)C(O)=O |r|
CC1(C)CC(CCC1C(O)=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
CC1(CCC(C)(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)C1(C)CCC(C)(C1)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)-c1cccc(c1)C(O)=O
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)-c1ccc(F)c(c1)C(O)=O
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)-c1ccc(C(O)=O)c(F)c1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)-c1ccc(cc1)C(O)=O
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)-c1ccc([nH]1)C(O)=O
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)-c1ccc(o1)C(O)=O
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)-c1ccc(nc1)C(O)=O
C[C@]1(CC[C@](C)(CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r,wU:1.0,wD:4.4,1.41,(.18,-9.43,;.58,-7.94,;-.91,-7.54,;-1.31,-6.05,;-.22,-4.96,;-1.71,-4.57,;1.27,-5.36,;1.67,-6.85,;-.62,-3.48,;.29,-2.23,;-.62,-.99,;-.22,.5,;1.27,.9,;1.67,2.39,;.58,3.48,;-.91,3.08,;-1.31,1.59,;.98,4.96,;-.11,6.05,;2.46,5.36,;2.86,6.85,;1.77,7.94,;2.17,9.43,;3.66,9.83,;4.75,8.74,;4.35,7.25,;1.08,10.52,;-.4,10.12,;1.48,12,;.69,9.03,;-2.08,-1.46,;-3.42,-.69,;-3.42,.85,;-4.75,-1.46,;-4.75,-3,;-3.42,-3.77,;-2.08,-3,;1.67,-9.03,;3.15,-8.63,;1.27,-10.52,)|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CCN[C@H](C1)C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCN[C@@H](C1)C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCN[C@H](C1)C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CC(C1)(C2)C(O)=O
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)N1CC[C@H](C1)C(O)=O |r|
C[C@@]1(CC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)N1CC[C@@H](C1)C(O)=O |r|
C[C@]1(CC[C@@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
C[C@]1(CCCN(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
C[C@@]1(CCCN(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
C[C@]1(CCN(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
C[C@@]1(CCN(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
CC(C)[C@@]1(CC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
CC(C)[C@]1(CC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
CC(C)[C@]1(CC[C@@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
CC(C)[C@@]1(CC[C@@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H](CC(O)=O)C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@H](CC(O)=O)C1 |r|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@](C2)(C(C)C)C(O)=O)n2ccnc(N)c12)C(=O)Nc1cc(n(C)n1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc([C@H]2CC[C@](C2)(C(C)C)C(O)=O)n2ccnc(N)c12)C(=O)Nc1cc(n(C)n1)C(F)(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H](CC(O)=O)C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@@H](CC(O)=O)C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@@H]2[C@H]1[C@H]2C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H]2[C@H]1[C@H]2C(O)=O |r|
CCOc1cc(ccc1-c1nc([C@H]2CC[C@@](C2)(C(C)C)C(O)=O)n2ccnc(N)c12)C(=O)Nc1cc(n(C)n1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@@](C2)(C(C)C)C(O)=O)n2ccnc(N)c12)C(=O)Nc1cc(n(C)n1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@](C2)(C(C)C)C(O)=O)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@@](C2)(C(C)C)C(O)=O)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc([C@H]2CC[C@@](C2)(C(C)C)C(O)=O)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc([C@H]2CC[C@](C2)(C(C)C)C(O)=O)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)C12CCC(CC1=O)(C(O)=O)C(=O)C2)C(=O)Nc1cc(ccn1)C(F)(F)F
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(C2)C(O)=O
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)C12CCC(CC1(F)F)(C(O)=O)C(F)(F)C2)C(=O)Nc1cc(ccn1)C(F)(F)F
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CCC2)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F |(3.05,-3.51,;1.96,-2.42,;2.36,-.93,;1.27,.16,;1.67,1.64,;.58,2.73,;-.91,2.33,;-1.31,.85,;-.22,-.24,;-.62,-1.73,;.29,-2.98,;-.62,-4.22,;-2.08,-3.75,;-3.42,-4.52,;-4.75,-3.75,;-4.75,-2.21,;-3.42,-1.44,;-3.42,.1,;-2.08,-2.21,;-.22,-5.71,;-1.31,-6.8,;-.91,-8.29,;.58,-8.68,;1.67,-7.59,;1.27,-6.11,;2.31,-8.29,;2.31,-6.75,;1.32,-5.71,;.18,-10.17,;-1.31,-10.57,;1.27,-11.26,;.98,4.22,;-.11,5.31,;2.46,4.62,;2.86,6.11,;1.77,7.2,;2.17,8.68,;3.66,9.08,;4.75,7.99,;4.35,6.51,;1.08,9.77,;-.4,9.37,;1.48,11.26,;2.57,10.17,)|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(CCC2)C(O)=O |(-3.42,.1,;-3.42,-1.44,;-4.75,-2.21,;-4.75,-3.75,;-3.42,-4.52,;-2.08,-3.75,;-.62,-4.22,;.29,-2.98,;-.62,-1.73,;-.22,-.24,;1.27,.16,;1.67,1.64,;.58,2.73,;-.91,2.33,;-1.31,.85,;.98,4.22,;-.11,5.31,;2.46,4.62,;2.86,6.11,;1.77,7.2,;2.17,8.68,;3.66,9.08,;4.75,7.99,;4.35,6.51,;1.08,9.77,;-.4,9.37,;1.48,11.26,;2.57,10.17,;-2.08,-2.21,;-.22,-5.71,;-1.31,-6.8,;-.91,-8.29,;.58,-8.68,;1.67,-7.59,;1.27,-6.11,;2.31,-8.29,;2.31,-6.75,;1.32,-5.71,;.18,-10.17,;-1.31,-10.57,;1.27,-11.26,)|
CC1(C)[C@@H](CC[C@]1(C)C(O)=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12C3C4C1C1C2C3C41C(O)=O |(-5.29,2.33,;-5.68,.84,;-7.19,.52,;-7.67,-.95,;-6.64,-2.09,;-5.13,-1.77,;-3.88,-2.68,;-2.64,-1.77,;-3.11,-.31,;-2.34,1.03,;-3.11,2.36,;-2.34,3.69,;-.8,3.69,;-.03,2.36,;-.8,1.03,;-.03,-.31,;-.03,5.03,;-.8,6.36,;1.51,5.03,;2.28,6.36,;3.82,6.36,;4.59,7.7,;3.82,9.03,;2.28,9.03,;1.51,7.7,;6.13,7.7,;6.9,9.03,;6.9,6.36,;7.67,7.7,;-4.65,-.31,;-3.88,-4.22,;-2.4,-4.61,;-1.63,-5.95,;-3.11,-5.55,;-4.45,-6.32,;-5.22,-4.99,;-3.73,-5.38,;-2.96,-6.72,;-2.96,-8.26,;-4.3,-9.03,;-1.63,-9.03,)|
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)C12C3C4C1C1C2C3C41C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F |(2.28,1.03,;1.51,-.31,;-.03,-.31,;-.8,1.03,;-.03,2.36,;-.8,3.69,;-2.34,3.69,;-3.11,2.36,;-2.34,1.03,;-3.11,-.31,;-2.64,-1.77,;-3.88,-2.68,;-5.13,-1.77,;-6.64,-2.09,;-7.67,-.95,;-7.19,.52,;-5.68,.84,;-5.29,2.33,;-4.65,-.31,;-3.88,-4.22,;-2.4,-4.61,;-1.63,-5.95,;-3.11,-5.55,;-4.45,-6.32,;-5.22,-4.99,;-3.73,-5.38,;-2.96,-6.72,;-2.96,-8.26,;-4.3,-9.03,;-1.63,-9.03,;-.03,5.03,;-.8,6.36,;1.51,5.03,;2.28,6.36,;3.82,6.36,;4.59,7.7,;3.82,9.03,;2.28,9.03,;1.51,7.7,;6.13,7.7,;6.9,9.03,;6.9,6.36,;7.67,7.7,)|
CCOc1cc(ccc1-c1nc([C@H]2CC[C@@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)[C@]12CC[C@](CC1O)(C(O)C2)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C3CC3)c12)C12C3C4C1C1C2C3C41C(O)=O |(-5.18,2.33,;-5.58,.84,;-7.09,.52,;-7.56,-.95,;-6.53,-2.09,;-5.03,-1.77,;-3.78,-2.68,;-2.53,-1.77,;-3.01,-.31,;-2.24,1.03,;-3.01,2.36,;-2.24,3.69,;-.7,3.69,;.07,2.36,;-.7,1.03,;.07,-.31,;.07,5.03,;-.7,6.36,;1.61,5.03,;2.38,6.36,;3.92,6.36,;4.69,7.7,;3.92,9.03,;2.38,9.03,;1.61,7.7,;6.23,7.7,;7.56,6.93,;7.56,8.47,;-4.55,-.31,;-3.78,-4.22,;-2.29,-4.61,;-1.52,-5.95,;-3.01,-5.55,;-4.34,-6.32,;-5.11,-4.99,;-3.63,-5.38,;-2.86,-6.72,;-2.86,-8.26,;-4.19,-9.03,;-1.53,-9.03,)|
COc1cc(ccc1-c1nc(n2ccnc(N)c12)C12C3C4C1C1C2C3C41C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F |(1.51,-.31,;-.03,-.31,;-.8,1.03,;-.03,2.36,;-.8,3.69,;-2.34,3.69,;-3.11,2.36,;-2.34,1.03,;-3.11,-.31,;-2.64,-1.77,;-3.88,-2.68,;-5.13,-1.77,;-6.64,-2.09,;-7.67,-.95,;-7.19,.52,;-5.68,.84,;-5.29,2.33,;-4.65,-.31,;-3.88,-4.22,;-2.4,-4.61,;-1.63,-5.95,;-3.11,-5.55,;-4.45,-6.32,;-5.22,-4.99,;-3.73,-5.38,;-2.96,-6.72,;-2.96,-8.26,;-4.3,-9.03,;-1.63,-9.03,;-.03,5.03,;-.8,6.36,;1.51,5.03,;2.28,6.36,;3.82,6.36,;4.59,7.7,;3.82,9.03,;2.28,9.03,;1.51,7.7,;6.13,7.7,;6.9,9.03,;6.9,6.36,;7.67,7.7,)|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C#N)c12)C12C3C4C1C1C2C3C41C(O)=O |(-5.29,2.33,;-5.68,.84,;-7.19,.52,;-7.67,-.95,;-6.64,-2.09,;-5.13,-1.77,;-3.88,-2.68,;-2.64,-1.77,;-3.11,-.31,;-2.34,1.03,;-3.11,2.36,;-2.34,3.69,;-.8,3.69,;-.03,2.36,;-.8,1.03,;-.03,-.31,;-.03,5.03,;-.8,6.36,;1.51,5.03,;2.28,6.36,;3.82,6.36,;4.59,7.7,;3.82,9.03,;2.28,9.03,;1.51,7.7,;6.13,7.7,;7.67,7.7,;-4.65,-.31,;-3.88,-4.22,;-2.4,-4.61,;-1.63,-5.95,;-3.11,-5.55,;-4.45,-6.32,;-5.22,-4.99,;-3.73,-5.38,;-2.96,-6.72,;-2.96,-8.26,;-4.3,-9.03,;-1.63,-9.03,)|
CC1(C)[C@H](CC[C@@]1(C)C(O)=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)C1(C)CCC(C)(CC1)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F |(3.9,-3.65,;2.81,-2.57,;3.21,-1.08,;2.12,.01,;2.52,1.5,;1.43,2.59,;-.06,2.19,;-.46,.7,;.63,-.39,;.23,-1.88,;1.14,-3.12,;.23,-4.37,;-1.23,-3.89,;-2.56,-4.66,;-3.9,-3.89,;-3.9,-2.35,;-2.56,-1.58,;-2.56,-.04,;-1.23,-2.35,;.63,-5.85,;-.86,-5.46,;-.46,-6.94,;-.06,-8.43,;1.43,-8.83,;2.92,-9.23,;2.52,-7.74,;2.12,-6.25,;1.83,-10.32,;.74,-11.41,;3.32,-10.72,;1.83,4.08,;3.32,4.47,;.74,5.16,;1.14,6.65,;.05,7.74,;.45,9.23,;1.93,9.63,;3.02,8.54,;2.62,7.05,;-.64,10.32,;-1.73,9.23,;.45,11.41,;-1.73,11.41,)|
C[C@]1(CC[C@](C)(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
C[C@@]1(CC[C@](C)(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
C[C@]1(CC[C@@](C)(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
CN1CC[C@H](C[C@H]1C(O)=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CN1CC[C@@H](C[C@@H]1C(O)=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)[C@]1(C)CC[C@](C)(C1)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)[C@@]1(C)CC[C@](C)(C1)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)[C@]1(C)CC[C@@](C)(C1)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc([C@@H]2CCC[C@](C2)(C(C)C)C(O)=O)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CC(C)[C@@]1(CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
CCOc1cc(ccc1-c1nc([C@H]2CCC[C@@](C2)(C(C)C)C(O)=O)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CC(C)[C@]1(CCC[C@@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
CC(C)[C@@]1(CC[C@@H](C1)c1nc(-c2ccc(cc2Cl)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
CCOc1cc(ccc1-c1nc(C2CC3(CC(C3)C(O)=O)C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |(2.65,-2.91,;1.56,-1.82,;1.96,-.33,;.87,.76,;1.27,2.25,;.18,3.34,;-1.31,2.94,;-1.71,1.45,;-.62,.36,;-1.01,-1.13,;-.11,-2.37,;-1.01,-3.62,;-.62,-5.11,;-1.39,-6.44,;-.05,-7.21,;-.82,-8.54,;.51,-9.31,;1.28,-7.98,;.91,-10.8,;2.4,-11.2,;-.18,-11.89,;.72,-5.88,;-2.48,-3.14,;-3.81,-3.91,;-5.15,-3.14,;-5.15,-1.6,;-3.81,-.83,;-3.81,.71,;-2.48,-1.6,;.58,4.82,;-.51,5.91,;2.07,5.22,;2.84,6.56,;2.07,7.89,;2.84,9.22,;4.38,9.22,;5.15,7.89,;4.38,6.56,;2.07,10.56,;.53,10.56,;2.84,11.89,;3.61,10.56,)|
CC(C)(C1CCC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H](C(C)C)[C@@H](C2)C(O)=O)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CC(C)[C@H]1CC[C@H](C[C@H]1C(O)=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)C12CCC(CC1)(C1CC21)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F
CCOc1cc(ccc1-c1nc([C@H]2CC[C@@H](C(C)C)[C@H](C2)C(O)=O)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CC(C)[C@@H]1CC[C@@H](C[C@@H]1C(O)=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)C12CCC(CC1)(C2)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F
CCOc1cc(ccc1-c1nc([C@@H]2C[C@@H]3CC[C@H](C2)[C@@H]3C(O)=O)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc([C@H]2C[C@@H]3CC[C@H](C2)[C@@H]3C(O)=O)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CC(C)[C@@]1(CC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12)C(O)=O |r|
CC(C)[C@]1(CC[C@@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12)C(O)=O |r|
COc1cc(cc(F)c1-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CC2)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F |(3.85,-.53,;2.36,-.93,;1.27,.16,;1.67,1.64,;.58,2.73,;-.91,2.33,;-1.31,.85,;-2.8,1.25,;-.22,-.24,;-.62,-1.73,;.29,-2.98,;-.62,-4.22,;-2.08,-3.75,;-3.42,-4.52,;-4.75,-3.75,;-4.75,-2.21,;-3.42,-1.44,;-3.42,.1,;-2.08,-2.21,;-.22,-5.71,;-1.31,-6.8,;-.91,-8.29,;.58,-8.68,;1.67,-7.59,;1.27,-6.11,;.98,-7.66,;.67,-6.41,;.98,-10.17,;2.46,-10.57,;-.11,-11.26,;.98,4.22,;-.11,5.31,;2.46,4.62,;2.86,6.11,;1.77,7.2,;2.17,8.68,;3.66,9.08,;4.75,7.99,;4.35,6.51,;1.08,9.77,;-.4,9.37,;1.48,11.26,;-.01,10.86,)|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@](C2)(C(C)C)C(O)=O)n2c(Cl)cnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc([C@H]2CC[C@@](C2)(C(C)C)C(O)=O)n2c(Cl)cnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc([C@H]2CC[C@](C2)(C(C)C)C(O)=O)n2c(Cl)cnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@@](C2)(C(C)C)C(O)=O)n2c(Cl)cnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cc(cc(F)c1-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wU:13.13,16.18,wD:16.17,(3.05,-4.69,;1.96,-3.6,;2.36,-2.11,;1.27,-1.02,;1.67,.47,;.58,1.56,;-.91,1.16,;-1.31,-.33,;-2.8,.07,;-.22,-1.42,;-.62,-2.91,;.29,-4.15,;-.62,-5.4,;.15,-6.73,;-.75,-7.98,;.15,-9.22,;1.62,-8.75,;2.39,-10.08,;3.16,-8.75,;3.93,-10.08,;3.93,-7.41,;1.62,-7.21,;3.16,-7.21,;2.39,-5.87,;-2.08,-4.92,;-3.42,-5.69,;-4.75,-4.92,;-4.75,-3.38,;-3.42,-2.61,;-3.42,-1.07,;-2.08,-3.38,;.98,3.04,;-.11,4.13,;2.46,3.44,;2.86,4.93,;1.77,6.02,;2.17,7.51,;3.66,7.9,;4.75,6.82,;4.35,5.33,;1.08,8.59,;-.4,8.2,;1.48,10.08,;-.01,9.68,)|
CCOc1cc(C(=O)Nc2cc(ccn2)C(F)(F)F)c(F)cc1-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12 |r|
COc1cc(cc(F)c1-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wU:12.12,15.17,wD:15.16,(1.96,-3.6,;2.36,-2.11,;1.27,-1.02,;1.67,.47,;.58,1.56,;-.91,1.16,;-1.31,-.33,;-2.8,.07,;-.22,-1.42,;-.62,-2.91,;.29,-4.15,;-.62,-5.4,;.15,-6.73,;-.75,-7.98,;.15,-9.22,;1.62,-8.75,;2.39,-10.08,;3.16,-8.75,;3.93,-10.08,;3.93,-7.41,;1.62,-7.21,;3.16,-7.21,;2.39,-5.87,;-2.08,-4.92,;-3.42,-5.69,;-4.75,-4.92,;-4.75,-3.38,;-3.42,-2.61,;-3.42,-1.07,;-2.08,-3.38,;.98,3.04,;-.11,4.13,;2.46,3.44,;2.86,4.93,;1.77,6.02,;2.17,7.51,;3.66,7.9,;4.75,6.82,;4.35,5.33,;1.08,8.59,;-.4,8.2,;1.48,10.08,;-.01,9.68,)|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H](O2)C(O)=O)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cc(cc(F)c1-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2c(F)cnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wU:13.13,16.18,wD:16.17,(4.24,-.22,;3.85,-1.71,;2.36,-2.11,;1.27,-1.02,;1.67,.47,;.58,1.56,;-.91,1.16,;-1.31,-.33,;-2.8,.07,;-.22,-1.42,;-.62,-2.91,;.29,-4.15,;-.62,-5.4,;.15,-6.73,;-.75,-7.98,;.15,-9.22,;1.62,-8.75,;2.39,-10.08,;3.16,-8.75,;3.93,-7.41,;3.93,-10.08,;1.62,-7.21,;3.16,-7.21,;2.39,-5.87,;-2.08,-4.92,;-3.42,-5.69,;-3.42,-7.23,;-4.75,-4.92,;-4.75,-3.38,;-3.42,-2.61,;-3.42,-1.07,;-2.08,-3.38,;.98,3.04,;-.11,4.13,;2.46,3.44,;2.86,4.93,;1.77,6.02,;2.17,7.51,;3.66,7.9,;4.75,6.82,;4.35,5.33,;1.08,8.59,;-.4,8.2,;1.48,10.08,;-.01,9.68,)|
CCOc1cc(cc(F)c1-c1nc(n2ccnc(N)c12)[C@]1(C)CC[C@](C)(CC1)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wU:24.27,wD:24.31,20.23,(4.84,-1.62,;3.75,-.53,;2.27,-.93,;1.18,.16,;1.57,1.64,;.49,2.73,;-1,2.33,;-1.4,.85,;-2.89,1.25,;-.31,-.24,;-.71,-1.73,;.2,-2.98,;-.71,-4.22,;-2.17,-3.75,;-3.51,-4.52,;-4.84,-3.75,;-4.84,-2.21,;-3.51,-1.44,;-3.51,.1,;-2.17,-2.21,;-.31,-5.71,;-1.8,-5.31,;-1.4,-6.8,;-1,-8.29,;.49,-8.68,;1.97,-9.08,;1.57,-7.59,;1.18,-6.11,;.88,-10.17,;2.37,-10.57,;-.2,-11.26,;.88,4.22,;-.2,5.31,;2.37,4.62,;2.77,6.11,;1.68,7.2,;2.08,8.68,;3.57,9.08,;4.66,7.99,;4.26,6.51,;.99,9.77,;-.5,9.37,;1.39,11.26,;-.1,10.86,)|
CCOc1cc(C(=O)Nc2cc(ccn2)C(F)(F)F)c(F)cc1-c1nc(n2ccnc(N)c12)C1(C)CCC(C)(CC1)C(O)=O
CCOc1cc(cc(F)c1-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C1CC1 |r,wU:13.13,16.18,wD:16.17,(4.24,-.22,;3.85,-1.71,;2.36,-2.11,;1.27,-1.02,;1.67,.47,;.58,1.56,;-.91,1.16,;-1.31,-.33,;-2.8,-.73,;-.22,-1.42,;-.62,-2.91,;.29,-4.15,;-.62,-5.4,;.15,-6.73,;-.75,-7.98,;.15,-9.22,;1.62,-8.75,;2.39,-10.08,;3.16,-8.75,;3.93,-7.41,;3.93,-10.08,;1.62,-7.21,;3.16,-7.21,;2.39,-5.87,;-2.08,-4.92,;-3.42,-5.69,;-4.75,-4.92,;-4.75,-3.38,;-3.42,-2.61,;-3.42,-1.07,;-2.08,-3.38,;.98,3.04,;-.11,4.13,;2.46,3.44,;2.86,4.93,;1.77,6.02,;2.17,7.51,;3.66,7.9,;4.75,6.82,;4.35,5.33,;1.08,8.59,;.69,10.08,;-.4,8.99,)|
COc1cc(cc(F)c1-c1nc(n2c(F)cnc(N)c12)C12CCC(CC1)(CC2)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F |(3.85,-.53,;2.36,-.93,;1.27,.16,;1.67,1.64,;.58,2.73,;-.91,2.33,;-1.31,.85,;-2.8,1.25,;-.22,-.24,;-.62,-1.73,;.29,-2.98,;-.62,-4.22,;-2.08,-3.75,;-3.42,-4.52,;-3.42,-6.06,;-4.75,-3.75,;-4.75,-2.21,;-3.42,-1.44,;-3.42,.1,;-2.08,-2.21,;-.22,-5.71,;-1.31,-6.8,;-.91,-8.29,;.58,-8.68,;1.67,-7.59,;1.27,-6.11,;.98,-7.66,;.67,-6.41,;.98,-10.17,;2.46,-10.57,;-.11,-11.26,;.98,4.22,;-.11,5.31,;2.46,4.62,;2.86,6.11,;1.77,7.2,;2.17,8.68,;3.66,9.08,;4.75,7.99,;4.35,6.51,;1.08,9.77,;-.4,9.37,;1.48,11.26,;-.01,10.86,)|
CCOc1cc(cc(F)c1-c1nc(n2ccnc(N)c12)[C@@]1(C)CC[C@@](C)(C1)C(O)=O)C(=O)Nc1cc(ccn1)C1CC1 |r,wU:24.30,20.23,wD:24.27,(4.71,-3.47,;3.63,-2.38,;2.14,-2.78,;1.05,-1.69,;1.45,-.2,;.36,.89,;-1.13,.49,;-1.53,-1,;-3.02,-1.4,;-.44,-2.09,;-.84,-3.57,;.07,-4.82,;-.84,-6.07,;-2.3,-5.59,;-3.64,-6.36,;-4.97,-5.59,;-4.97,-4.05,;-3.64,-3.28,;-3.64,-1.74,;-2.3,-4.05,;-.07,-7.4,;-1.61,-7.4,;-.07,-8.94,;1.4,-9.42,;2.3,-8.17,;3.64,-8.94,;1.4,-6.92,;3.64,-7.4,;4.97,-8.17,;3.64,-5.86,;.76,2.38,;-.33,3.47,;2.24,2.77,;2.64,4.26,;1.55,5.35,;1.95,6.84,;3.44,7.24,;4.53,6.15,;4.13,4.66,;.86,7.93,;.46,9.42,;-.62,8.33,)|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1C[C@H]2[C@@H](C1)[C@H]2C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1C[C@H]2[C@@H](C1)[C@@H]2C(O)=O |r|
CCOc1cc(cc(F)c1-c1nc(n2ccnc(N)c12)[C@@]1(C)CC[C@@](C)(C1)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wU:24.30,20.23,wD:24.27,(4.71,-3.47,;3.63,-2.38,;2.14,-2.78,;1.05,-1.69,;1.45,-.2,;.36,.89,;-1.13,.49,;-1.53,-1,;-3.02,-1.4,;-.44,-2.09,;-.84,-3.57,;.07,-4.82,;-.84,-6.07,;-2.3,-5.59,;-3.64,-6.36,;-4.97,-5.59,;-4.97,-4.05,;-3.64,-3.28,;-3.64,-1.74,;-2.3,-4.05,;-.07,-7.4,;-1.61,-7.4,;-.07,-8.94,;1.4,-9.42,;2.3,-8.17,;3.64,-8.94,;1.4,-6.92,;3.64,-7.4,;4.97,-8.17,;3.64,-5.86,;.76,2.38,;-.33,3.47,;2.24,2.77,;2.64,4.26,;1.55,5.35,;1.95,6.84,;3.44,7.24,;4.53,6.15,;4.13,4.66,;.86,7.93,;-.62,7.53,;1.26,9.42,;-.23,9.02,)|
CCOc1cc(cc(F)c1-c1nc(n2ccnc(N)c12)C1(C)CCC(C)(CC1)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F
CCOc1cc(C(=O)Nc2cc(ccn2)C(F)(F)F)c(F)cc1-c1nc(n2ccnc(N)c12)[C@@]1(C)CC[C@@](C)(C1)C(O)=O |r|
CC1(C)[C@@H](CC[C@]1(C)C(O)=O)c1nc(-c2ccc(cc2Cl)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCOc1cc(cc(F)c1-c1nc(n2ccnc(N)c12)C1(C)CCC(C)(CC1)C(O)=O)C(=O)Nc1cc(ccn1)C1CC1 |(4.24,.95,;3.85,-.53,;2.36,-.93,;1.27,.16,;1.67,1.64,;.58,2.73,;-.91,2.33,;-1.31,.85,;-2.64,1.62,;-.22,-.24,;-.62,-1.73,;.29,-2.98,;-.62,-4.22,;-2.08,-3.75,;-3.42,-4.52,;-4.75,-3.75,;-4.75,-2.21,;-3.42,-1.44,;-3.42,.1,;-2.08,-2.21,;-.22,-5.71,;-1.71,-5.31,;-1.31,-6.8,;-.91,-8.29,;.58,-8.68,;2.07,-9.08,;1.67,-7.59,;1.27,-6.11,;.98,-10.17,;2.46,-10.57,;-.11,-11.26,;.98,4.22,;-.11,5.31,;2.46,4.62,;2.86,6.11,;1.77,7.2,;2.17,8.68,;3.66,9.08,;4.75,7.99,;4.35,6.51,;1.08,9.77,;.69,11.26,;-.4,10.17,)|
C[C@]1(CC[C@](C)(C1)c1nc(-c2ccc(cc2Cl)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
CC1(CCC(C)(CC1)c1nc(-c2ccc(cc2Cl)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |(2.07,-9.08,;.58,-8.68,;-.91,-8.29,;-1.31,-6.8,;-.22,-5.71,;-1.71,-5.31,;1.27,-6.11,;1.67,-7.59,;-.62,-4.22,;.29,-2.98,;-.62,-1.73,;-.22,-.24,;-1.31,.85,;-.91,2.33,;.58,2.73,;1.67,1.64,;1.27,.16,;2.36,-.93,;.98,4.22,;-.11,5.31,;2.46,4.62,;2.86,6.11,;1.77,7.2,;2.17,8.68,;3.66,9.08,;4.75,7.99,;4.35,6.51,;1.08,9.77,;-.4,9.37,;1.48,11.26,;-.01,10.86,;-2.08,-2.21,;-3.42,-1.44,;-3.42,.1,;-4.75,-2.21,;-4.75,-3.75,;-3.42,-4.52,;-2.08,-3.75,;.98,-10.17,;2.46,-10.57,;-.11,-11.26,)|
CC1(CCC(C)(CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |(2.07,-9.08,;.58,-8.68,;-.91,-8.29,;-1.31,-6.8,;-.22,-5.71,;-1.71,-5.31,;1.27,-6.11,;1.67,-7.59,;-.62,-4.22,;.29,-2.98,;-.62,-1.73,;-.22,-.24,;-1.31,.85,;-.91,2.33,;.58,2.73,;1.67,1.64,;1.27,.16,;2.36,-.93,;.98,4.22,;-.11,5.31,;2.46,4.62,;2.86,6.11,;1.77,7.2,;2.17,8.68,;3.66,9.08,;4.75,7.99,;4.35,6.51,;1.08,9.77,;-.4,9.37,;1.48,11.26,;-.01,10.86,;-2.08,-2.21,;-3.42,-1.44,;-3.42,.1,;-4.75,-2.21,;-4.75,-3.75,;-3.42,-4.52,;-2.08,-3.75,;.98,-10.17,;2.46,-10.57,;-.11,-11.26,)|
CCOc1cc(ccc1-c1nc([C@H]2C[C@H]3[C@@H](C2)[C@@H]3C(O)=O)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
C[C@]1(CC[C@](C)(C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
C[C@]1(CCC[C@](C)(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1C[C@H]2[C@@H](C1)[C@@H]2C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1C[C@H]2[C@@H](C1)[C@H]2C(O)=O |r|
CC1(C)[C@@H](CC[C@]1(C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
CC1(C)[C@H](CC[C@@]1(C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
CC(C)C1(CCC(C)(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O
CC1(C)[C@H](CC[C@]1(C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
CC1(C)[C@@H](CC[C@@]1(C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
CCOc1cc(C(=O)Nc2cc(ccn2)C(F)(F)F)c(F)cc1-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CC2)C(O)=O
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1CC1C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3Cl)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(CC2)C(O)=O
CC1(CCCC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O
CC1(CCCC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12)C(O)=O
C[C@@]1(CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
C[C@@]1(CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12)C(O)=O |r|
C[C@@]1(CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12)C(O)=O |r|
C[C@]1(CCC[C@@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@@H](CC1)C(O)=O |r,wU:29.32,32.39,(-4.9,.8,;-4.9,-.74,;-6.24,-1.51,;-6.24,-3.05,;-4.9,-3.82,;-3.57,-3.05,;-2.1,-3.53,;-1.2,-2.28,;-2.1,-1.04,;-1.71,.45,;-.22,.85,;.18,2.33,;-.91,3.42,;-2.4,3.03,;-2.8,1.54,;-.51,4.91,;-1.6,6,;.98,5.31,;1.38,6.8,;2.86,7.2,;3.26,8.68,;2.17,9.77,;.69,9.37,;.29,7.89,;4.75,9.08,;5.84,7.99,;5.15,10.57,;6.24,9.48,;-3.57,-1.51,;-1.71,-5.02,;-2.8,-6.11,;-2.4,-7.59,;-.91,-7.99,;.18,-6.9,;-.22,-5.42,;-.51,-9.48,;.98,-9.88,;-1.6,-10.57,)|
C[C@]1(CCC[C@@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12)C(O)=O |r|
C[C@]1(CCC[C@@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12)C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3O)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(CC2)C(O)=O
CC1(CCC(CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12)C(O)=O |(.58,-8.39,;-.91,-7.99,;-2.4,-7.59,;-2.8,-6.11,;-1.71,-5.02,;-.22,-5.42,;.18,-6.9,;-2.1,-3.53,;-1.2,-2.28,;-2.1,-1.04,;-1.71,.45,;-.22,.85,;.18,2.33,;-.91,3.42,;-2.4,3.03,;-2.8,1.54,;-.51,4.91,;-1.6,6,;.98,5.31,;1.38,6.8,;2.86,7.2,;3.26,8.68,;2.17,9.77,;.69,9.37,;.29,7.89,;4.75,9.08,;5.84,7.99,;5.15,10.57,;6.24,9.48,;-3.57,-1.51,;-4.9,-.74,;-4.9,.8,;-6.24,-1.51,;-6.24,-3.05,;-4.9,-3.82,;-4.9,-5.36,;-3.57,-3.05,;-.51,-9.48,;.98,-9.88,;-1.6,-10.57,)|
CC1(CCC(CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12)C(O)=O |(.58,-8.39,;-.91,-7.99,;-2.4,-7.59,;-2.8,-6.11,;-1.71,-5.02,;-.22,-5.42,;.18,-6.9,;-2.1,-3.53,;-1.2,-2.28,;-2.1,-1.04,;-1.71,.45,;-.22,.85,;.18,2.33,;-.91,3.42,;-2.4,3.03,;-2.8,1.54,;-4.28,1.94,;-.51,4.91,;-1.6,6,;.98,5.31,;1.38,6.8,;2.86,7.2,;3.26,8.68,;2.17,9.77,;.69,9.37,;.29,7.89,;4.75,9.08,;5.84,7.99,;5.15,10.57,;6.24,9.48,;-3.57,-1.51,;-4.9,-.74,;-4.9,.8,;-6.24,-1.51,;-6.24,-3.05,;-4.9,-3.82,;-4.9,-5.36,;-3.57,-3.05,;-.51,-9.48,;.98,-9.88,;-1.6,-10.57,)|
CC1(CCC(CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)ncc(Cl)n12)C(O)=O |(.18,-7.2,;.58,-8.68,;-.91,-8.29,;-1.31,-6.8,;-.22,-5.71,;1.27,-6.11,;1.67,-7.59,;-.62,-4.22,;.29,-2.98,;-.62,-1.73,;-.22,-.24,;-1.31,.85,;-.91,2.33,;.58,2.73,;1.67,1.64,;1.27,.16,;2.36,-.93,;.98,4.22,;-.11,5.31,;2.46,4.62,;2.86,6.11,;1.77,7.2,;2.17,8.68,;3.66,9.08,;4.75,7.99,;4.35,6.51,;1.08,9.77,;.69,11.26,;-.4,10.17,;-2.08,-2.21,;-3.42,-1.44,;-3.42,.1,;-4.75,-2.21,;-4.75,-3.75,;-3.42,-4.52,;-3.42,-6.06,;-2.08,-3.75,;.98,-10.17,;2.46,-10.57,;-.11,-11.26,)|
CCOc1cc(ccc1-c1nc(C2CCC(C)(CC2)C(O)=O)n2c(Cl)cnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |(-6.55,2.63,;-5.06,3.03,;-3.97,1.94,;-2.48,1.54,;-2.09,3.03,;-.6,3.42,;.49,2.33,;.09,.85,;-1.39,.45,;-1.79,-1.04,;-.89,-2.28,;-1.79,-3.53,;-1.39,-5.02,;-2.48,-6.11,;-2.09,-7.59,;-.6,-7.99,;.89,-8.39,;.49,-6.9,;.09,-5.42,;-.2,-9.48,;1.29,-9.88,;-1.29,-10.57,;-3.26,-3.05,;-4.59,-3.82,;-4.59,-5.36,;-5.93,-3.05,;-5.93,-1.51,;-4.59,-.74,;-4.59,.8,;-3.26,-1.51,;-.2,4.91,;-1.29,6,;1.29,5.31,;1.69,6.8,;3.17,7.2,;3.57,8.68,;2.48,9.77,;1,9.37,;.6,7.89,;5.06,9.08,;6.15,7.99,;5.46,10.57,;6.55,9.48,)|
COc1cc(ccc1-c1nc(C2CCC(C)(CC2)C(O)=O)n2c(Cl)cnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |(.47,-1.73,;.87,-.24,;-.22,.85,;.18,2.33,;-.91,3.42,;-2.4,3.03,;-2.8,1.54,;-1.71,.45,;-2.1,-1.04,;-1.2,-2.28,;-2.1,-3.53,;-1.71,-5.02,;-2.8,-6.11,;-2.4,-7.59,;-.91,-7.99,;.58,-8.39,;.18,-6.9,;-.22,-5.42,;-.51,-9.48,;.98,-9.88,;-1.6,-10.57,;-3.57,-3.05,;-4.9,-3.82,;-4.9,-5.36,;-6.24,-3.05,;-6.24,-1.51,;-4.9,-.74,;-4.9,.8,;-3.57,-1.51,;-.51,4.91,;-1.6,6,;.98,5.31,;1.38,6.8,;2.86,7.2,;3.26,8.68,;2.17,9.77,;.69,9.37,;.29,7.89,;4.75,9.08,;5.84,7.99,;5.15,10.57,;6.24,9.48,)|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1C[C@@H]1C(O)=O |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(CC2)C(O)=O
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)C12CCC(CC1)(CC2)C(O)=O
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(CC2)C(O)=O
COc1cc(ccc1-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CC2)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CC2)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F
CCOc1cc(ccc1-c1nc(n2c(F)cnc(N)c12)C12CCC(CC1)(CC2)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)C12CCC(CC1O)(C(O)C2)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F
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COc1cc(ccc1-c1nc([C@H]2CN(C3CC(C3)C(O)=O)[C@@H](C)CO2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wU:11.11,21.23,(.42,-2.14,;.81,-.65,;-.27,.44,;.12,1.93,;-.96,3.02,;-2.45,2.62,;-2.85,1.13,;-1.76,.04,;-2.16,-1.45,;-1.25,-2.69,;-2.16,-3.94,;-1.76,-5.43,;-.27,-5.83,;.12,-7.31,;1.61,-7.71,;2.38,-9.04,;3.72,-8.27,;2.95,-6.94,;5.2,-8.67,;6.29,-7.58,;5.6,-10.16,;-.96,-8.4,;-.57,-9.89,;-2.45,-8,;-2.85,-6.52,;-3.62,-3.46,;-4.96,-4.23,;-6.29,-3.46,;-6.29,-1.92,;-4.96,-1.15,;-4.96,.39,;-3.62,-1.92,;-.57,4.5,;-1.65,5.59,;.92,4.9,;1.32,6.39,;2.81,6.79,;3.21,8.27,;2.12,9.36,;.63,8.97,;.23,7.48,;4.69,8.67,;5.78,7.58,;5.09,10.16,;6.18,9.07,)|
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C[C@H]1CO[C@H](CN1[C@H]1CC[C@](C)(CC1)C(O)=O)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r,wU:4.18,7.7,1.0,10.15,wD:10.11,(-1,-10.1,;-1.4,-8.61,;-2.89,-8.21,;-3.29,-6.72,;-2.2,-5.63,;-.71,-6.03,;-.31,-7.52,;1.18,-7.92,;2.27,-6.83,;3.75,-7.23,;4.15,-8.72,;5.24,-7.63,;3.06,-9.81,;1.57,-9.41,;5.64,-9.12,;6.73,-8.03,;6.04,-10.6,;-2.6,-4.15,;-1.69,-2.9,;-2.6,-1.66,;-2.05,.48,;-.57,.88,;-.17,2.37,;-1.26,3.46,;-2.74,3.06,;-3.14,1.57,;-4.63,1.17,;-.86,4.94,;-1.95,6.03,;.63,5.34,;1.03,6.83,;2.52,7.23,;2.91,8.72,;1.83,9.81,;.34,9.41,;-.06,7.92,;4.4,9.12,;4.8,10.6,;5.49,8.03,;5.89,9.51,;-4.06,-2.13,;-5.39,-1.36,;-5.39,.18,;-6.73,-2.13,;-6.73,-3.67,;-5.39,-4.44,;-5.39,-5.98,;-4.06,-3.67,)|
CC(C)[C@@]1(CC[C@@H](CC1)N1C[C@@H](OC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12)C(O)=O |r,wU:11.17,6.9,14.16,3.2,wD:3.52,(6.46,-7.38,;4.92,-7.38,;4.15,-6.05,;4.15,-8.72,;3.75,-7.23,;2.27,-6.83,;1.18,-7.92,;1.57,-9.41,;3.06,-9.81,;-.31,-7.52,;-.71,-6.03,;-2.2,-5.63,;-3.29,-6.72,;-2.89,-8.21,;-1.4,-8.61,;-1,-10.1,;-2.6,-4.15,;-1.69,-2.9,;-2.6,-1.66,;-2.05,.48,;-.57,.88,;-.17,2.37,;-1.26,3.46,;-2.74,3.06,;-3.14,1.57,;-4.63,1.17,;-.86,4.94,;-1.95,6.03,;.63,5.34,;1.03,6.83,;2.52,7.23,;2.91,8.72,;1.83,9.81,;.34,9.41,;-.06,7.92,;4.4,9.12,;4.8,10.6,;5.49,8.03,;5.89,9.51,;-4.06,-2.13,;-5.39,-1.36,;-5.39,.18,;-6.73,-2.13,;-6.73,-3.67,;-5.39,-4.44,;-5.39,-5.98,;-4.06,-3.67,;5.64,-9.12,;6.73,-8.03,;6.04,-10.6,)|
CC(C)[C@]1(CC[C@@H](CC1)N1C[C@@H](OC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12)C(O)=O |r,wU:11.17,14.16,3.2,wD:6.9,3.52,(6.46,-7.38,;4.92,-7.38,;4.15,-6.05,;4.15,-8.72,;3.06,-9.81,;1.57,-9.41,;1.18,-7.92,;2.27,-6.83,;3.75,-7.23,;-.31,-7.52,;-.71,-6.03,;-2.2,-5.63,;-3.29,-6.72,;-2.89,-8.21,;-1.4,-8.61,;-1,-10.1,;-2.6,-4.15,;-1.69,-2.9,;-2.6,-1.66,;-2.05,.48,;-.57,.88,;-.17,2.37,;-1.26,3.46,;-2.74,3.06,;-3.14,1.57,;-4.63,1.17,;-.86,4.94,;-1.95,6.03,;.63,5.34,;1.03,6.83,;2.52,7.23,;2.91,8.72,;1.83,9.81,;.34,9.41,;-.06,7.92,;4.4,9.12,;4.8,10.6,;5.49,8.03,;5.89,9.51,;-4.06,-2.13,;-5.39,-1.36,;-5.39,.18,;-6.73,-2.13,;-6.73,-3.67,;-5.39,-4.44,;-5.39,-5.98,;-4.06,-3.67,;5.64,-9.12,;6.73,-8.03,;6.04,-10.6,)|
C[C@@]1(CC[C@@H](CC1)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)ncc(Cl)n12)C(O)=O |r,wU:11.14,4.7,1.0,wD:1.44,(5.24,-9.48,;4.15,-8.39,;3.75,-6.9,;2.27,-6.51,;1.18,-7.59,;1.57,-9.08,;3.06,-9.48,;-.31,-7.2,;-1.4,-8.29,;-2.89,-7.89,;-3.29,-6.4,;-2.2,-5.31,;-.71,-5.71,;-2.6,-3.82,;-1.69,-2.58,;-2.6,-1.33,;-2.2,.16,;-3.29,1.25,;-2.89,2.73,;-1.4,3.13,;-.31,2.04,;-.71,.56,;-1,4.62,;-2.09,5.71,;.49,5.02,;.88,6.51,;-.2,7.59,;.19,9.08,;1.68,9.48,;2.77,8.39,;2.37,6.9,;-4.06,-1.81,;-5.39,-1.04,;-5.39,.5,;-6.73,-1.81,;-6.73,-3.35,;-5.39,-4.12,;-5.39,-5.66,;-4.06,-3.35,;5.24,-7.3,;6.73,-7.7,;4.84,-5.82,)|
C[C@H]1CO[C@H](CN1[C@H]1CC[C@@](C)(CC1)C(O)=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)F)c2c(N)ncc(Cl)n12 |r,wU:4.18,7.7,10.11,1.0,wD:10.15,(-1,-9.77,;-1.4,-8.29,;-2.89,-7.89,;-3.29,-6.4,;-2.2,-5.31,;-.71,-5.71,;-.31,-7.2,;1.18,-7.59,;2.27,-6.51,;3.75,-6.9,;4.15,-8.39,;5.24,-7.3,;3.06,-9.48,;1.57,-9.08,;5.64,-8.79,;6.73,-7.7,;6.04,-10.28,;-2.6,-3.82,;-1.69,-2.58,;-2.6,-1.33,;-2.2,.16,;-3.29,1.25,;-2.89,2.73,;-1.4,3.13,;-.31,2.04,;-.71,.56,;-1,4.62,;-2.09,5.71,;.49,5.02,;.88,6.51,;2.37,6.9,;2.77,8.39,;1.68,9.48,;.19,9.08,;-.2,7.59,;4.26,8.79,;5.35,7.7,;4.66,10.28,;-4.06,-1.81,;-5.39,-1.04,;-5.39,.5,;-6.73,-1.81,;-6.73,-3.35,;-5.39,-4.12,;-5.39,-5.66,;-4.06,-3.35,)|
C[C@H]1CO[C@H](CN1[C@H]1CC[C@@](C)(CC1)C(O)=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)F)c2c(N)nccn12 |r,wU:4.18,7.7,10.11,1.0,wD:10.15,(-1,-9.77,;-1.4,-8.29,;-2.89,-7.89,;-3.29,-6.4,;-2.2,-5.31,;-.71,-5.71,;-.31,-7.2,;1.18,-7.59,;2.27,-6.51,;3.75,-6.9,;4.15,-8.39,;5.24,-7.3,;3.06,-9.48,;1.57,-9.08,;5.64,-8.79,;6.73,-7.7,;6.04,-10.28,;-2.6,-3.82,;-1.69,-2.58,;-2.6,-1.33,;-2.2,.16,;-3.29,1.25,;-2.89,2.73,;-1.4,3.13,;-.31,2.04,;-.71,.56,;-1,4.62,;-2.09,5.71,;.49,5.02,;.88,6.51,;2.37,6.9,;2.77,8.39,;1.68,9.48,;.19,9.08,;-.2,7.59,;4.26,8.79,;5.35,7.7,;4.66,10.28,;-4.06,-1.81,;-5.39,-1.04,;-5.39,.5,;-6.73,-1.81,;-6.73,-3.35,;-5.39,-4.12,;-4.06,-3.35,)|
C[C@H]1CO[C@H](CN1[C@H]1CC[C@@](C)(CC1)C(O)=O)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)F)c2c(N)ncc(Cl)n12 |r,wU:4.18,7.7,1.0,10.11,wD:10.15,(-1,-10.1,;-1.4,-8.61,;-2.89,-8.21,;-3.29,-6.72,;-2.2,-5.63,;-.71,-6.03,;-.31,-7.52,;1.18,-7.92,;2.27,-6.83,;3.75,-7.23,;4.15,-8.72,;5.24,-7.63,;3.06,-9.81,;1.57,-9.41,;5.64,-9.12,;6.73,-8.03,;6.04,-10.6,;-2.6,-4.15,;-1.69,-2.9,;-2.6,-1.66,;-2.05,.48,;-.57,.88,;-.17,2.37,;-1.26,3.46,;-2.74,3.06,;-3.14,1.57,;-4.63,1.17,;-.86,4.94,;-1.95,6.03,;.63,5.34,;1.03,6.83,;2.52,7.23,;2.91,8.72,;1.83,9.81,;.34,9.41,;-.06,7.92,;4.4,9.12,;4.8,10.6,;5.49,8.03,;-4.06,-2.13,;-5.39,-1.36,;-5.39,.18,;-6.73,-2.13,;-6.73,-3.67,;-5.39,-4.44,;-5.39,-5.98,;-4.06,-3.67,)|
C[C@H]1CO[C@H](CN1[C@H]1CC[C@@](C)(CC1)C(O)=O)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)F)c2c(N)nccn12 |r,wU:4.18,7.7,1.0,10.11,wD:10.15,(-1,-10.1,;-1.4,-8.61,;-2.89,-8.21,;-3.29,-6.72,;-2.2,-5.63,;-.71,-6.03,;-.31,-7.52,;1.18,-7.92,;2.27,-6.83,;3.75,-7.23,;4.15,-8.72,;5.24,-7.63,;3.06,-9.81,;1.57,-9.41,;5.64,-9.12,;6.73,-8.03,;6.04,-10.6,;-2.6,-4.15,;-1.69,-2.9,;-2.6,-1.66,;-2.05,.48,;-.57,.88,;-.17,2.37,;-1.26,3.46,;-2.74,3.06,;-3.14,1.57,;-4.63,1.17,;-.86,4.94,;-1.95,6.03,;.63,5.34,;1.03,6.83,;2.52,7.23,;2.91,8.72,;1.83,9.81,;.34,9.41,;-.06,7.92,;4.4,9.12,;4.8,10.6,;5.49,8.03,;-4.06,-2.13,;-5.39,-1.36,;-5.39,.18,;-6.73,-2.13,;-6.73,-3.67,;-5.39,-4.44,;-4.06,-3.67,)|
C[C@H]1CO[C@H](CN1[C@H]1CC[C@@](C)(CC1)C(O)=O)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)ncc(Cl)n12 |r,wU:4.18,7.7,1.0,10.11,wD:10.15,(-1,-9.86,;-1.4,-8.37,;-2.89,-7.98,;-3.29,-6.49,;-2.2,-5.4,;-.71,-5.8,;-.31,-7.29,;1.18,-7.68,;2.27,-6.6,;3.75,-6.99,;4.15,-8.48,;5.24,-7.39,;3.06,-9.57,;1.57,-9.17,;5.64,-8.88,;6.73,-7.79,;6.04,-10.37,;-2.6,-3.91,;-1.69,-2.67,;-2.6,-1.42,;-2.05,.64,;-.57,1.04,;-.17,2.53,;-1.26,3.62,;-2.74,3.22,;-3.14,1.73,;-4.63,1.34,;-.86,5.11,;-1.95,6.2,;.63,5.51,;1.03,6.99,;2.52,7.39,;2.91,8.88,;1.83,9.97,;.34,9.57,;-.06,8.08,;4.4,9.28,;5.89,8.88,;5.49,10.37,;-4.06,-1.9,;-5.39,-1.13,;-5.39,.41,;-6.73,-1.9,;-6.73,-3.44,;-5.39,-4.21,;-5.39,-5.75,;-4.06,-3.44,)|
C[C@H]1CO[C@H](CN1[C@H]1CC[C@@](C)(CC1)C(O)=O)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r,wU:4.18,7.7,1.0,10.11,wD:10.15,(-1,-9.88,;-1.4,-8.39,;-2.89,-7.99,;-3.29,-6.51,;-2.2,-5.42,;-.71,-5.82,;-.31,-7.3,;1.18,-7.7,;2.27,-6.61,;3.75,-7.01,;4.15,-8.5,;5.24,-7.41,;3.06,-9.59,;1.57,-9.19,;5.64,-8.9,;6.73,-7.81,;6.04,-10.39,;-2.6,-3.93,;-1.69,-2.68,;-2.6,-1.44,;-2.05,.66,;-.57,1.06,;-.17,2.55,;-1.26,3.64,;-2.74,3.24,;-3.14,1.75,;-4.63,1.35,;-.86,5.13,;-1.95,6.21,;.63,5.52,;1.03,7.01,;2.52,7.41,;2.91,8.9,;1.83,9.99,;.34,9.59,;-.06,8.1,;4.4,9.3,;5.89,8.9,;5.49,10.39,;-4.06,-1.91,;-5.39,-1.14,;-5.39,.4,;-6.73,-1.91,;-6.73,-3.45,;-5.39,-4.22,;-4.06,-3.45,)|
COc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)-c1nn(C2CCCN(C2)C(=O)C(=CC2CC2)[N+]#[C-])c2ncnc(N)c12 |w:29.32|
COc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)-c1nn(C2CCCN(C2)C(=O)C(=CC(C)(C)C)[N+]#[C-])c2ncnc(N)c12 |w:29.32|
CC(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,w:4.3|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4ccc(cc4)C(F)(F)F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)C#N |r,w:38.43|
CC(C)(C)C=C([N+]#[C-])C(=O)N1CCCC1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |w:4.3|
CC(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)c2c(N)ncnc12 |r,w:4.3|
CC(C)(C)C=C([N+]#[C-])C(=O)N[C@H]1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,w:4.3,wD:11.10,(-6.16,-11.52,;-5.68,-10.05,;-7.14,-9.58,;-4.22,-10.53,;-5.2,-8.59,;-3.7,-8.27,;-2.67,-9.41,;-1.64,-10.56,;-3.22,-6.8,;-4.25,-5.66,;-1.72,-6.48,;-1.24,-5.02,;.27,-4.7,;.74,-3.23,;-.29,-2.09,;-1.79,-2.41,;-2.27,-3.87,;.19,-.62,;-.72,.62,;.19,1.87,;-.29,3.33,;-1.79,3.65,;-2.27,5.12,;-1.24,6.26,;-1.72,7.73,;-.69,8.87,;-1.16,10.33,;-.13,11.48,;1.38,11.16,;1.85,9.69,;.82,8.55,;.27,5.94,;.74,4.48,;1.65,1.39,;2.99,2.16,;2.99,3.7,;4.32,1.39,;4.32,-.15,;2.99,-.92,;1.65,-.15,)|
Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3CC3)[N+]#[C-])nc(-c3ccc(Oc4cccc(F)c4)cc3)c12 |r,w:16.17|
Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3CC3)[N+]#[C-])nc(-c3ccc(Oc4cc(F)cc(F)c4)cc3)c12 |r,w:16.17|
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(F)c4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)[N+]#[C-] |r,w:33.38|
CC(C)(N)C=C([N+]#[C-])C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3)cc2F)c2c(N)ncnc12 |r,w:4.3|
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(F)c4F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)[N+]#[C-] |r,w:34.39|
CNC(C)(C)C=C([N+]#[C-])C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:5.4|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3F)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)[N+]#[C-] |r,w:33.38|
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)[N+]#[C-] |r,w:32.37|
CN(C)C(C)(C)\C=C(\C#N)C(=O)N1CCC[C@H]1Cn1c(C)c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
CC(C)(N)C=C([N+]#[C-])C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:4.3|
CN(CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(=O)C(=CC1CC1)C#N |w:30.34|
CC(C)\C=C(/[N+]#[C-])C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12 |r|
Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4cccc(F)c4F)cc3F)c12 |r,w:16.17|
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3F)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)C#N |w:33.38|
Cc1c(-c2ccc(Oc3cc(F)cc(F)c3)cc2)c2c(N)ncnc2n1C[C@H]1CCCN1C(=O)C(=CC1CC1)C#N |w:35.40|
Nc1ncnc2n(CC3CCN(C3)C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3)c12 |w:16.17|
Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3Cl)c12 |w:16.17|
CC(C)(N)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3)cc2F)c2c(N)ncnc12 |w:4.3|
CC(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3)cc2F)c2c(N)ncnc12 |w:3.2|
CN(C)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1c(C)c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |w:6.5|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cc(F)ccc3F)cc2)c2c(N)ncnc12 |w:3.2|
CC(C)C=C(C#N)C(=O)N1CC(F)(F)C[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |w:3.2|
CC(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |w:4.3|
CC(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3c(F)cccc3F)cc2)c2c(N)ncnc12 |w:3.2|
CC(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2)c2c(N)ncnc12 |w:3.2|
CC(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3c(F)cccc3F)cc2F)c2c(N)ncnc12 |w:3.2|
CNC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |w:5.4|
Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3(N)CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3F)c12 |w:16.17|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12 |w:3.2|
CC(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12 |w:3.2|
CC(C)(N)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12 |w:4.3|
CC(C)(N)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12 |w:4.3|
CCNC(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12 |w:6.5|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |w:3.2|
CC(C)(N)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |w:4.3|
CCOC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |w:6.5|
CCN(CC)CC1(CCCC1)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |w:11.11|
CCOC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H](C1)n1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12 |w:6.5|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1cc(-c2ccc(Oc3cccc(F)c3F)cc2)c2c(N)ncnc12 |w:3.2|
CN(C)C(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1cc(-c2ccc(Oc3cccc(F)c3F)cc2)c2c(N)ncnc12 |w:6.5|
CN(C)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |w:6.5|
CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |w:3.2|
C[C@@H](Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)NC(=O)C(=CC(C)(C)N(C)C)C#N |w:31.35|
Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=C[C@H]3CCCN3)C#N)nc(-c3ccc(Oc4ccccc4)cc3F)c12 |w:15.15|
C[C@@H](Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)NC(=O)C(=CC(C)(C)N)C#N |w:31.35|
C[C@@H](Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)NC(=O)C(=CC1CC1)C#N |w:31.35|
Cc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C[C@@H]1CCCN1C(=O)C(=CC1CC1)C#N |r,w:33.38|
Nc1ncnc2n(nc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(C(=O)Nc3nc4cc(Br)ccc4o3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(C(=O)Nc3nc4cc(ccc4o3)-c3cccs3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
CC(=C)C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12 |r|
C\C=C\C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(C(=O)Nc3nc4ccc(cc4o3)C#N)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
COc1ccc2oc(NC(=O)c3nn([C@@H]4CCCN(C4)C(=O)C=C)c4ncnc(N)c34)nc2c1 |r|
COCCc1ccc2oc(NC(=O)c3nn([C@@H]4CCCN(C4)C(=O)C=C)c4ncnc(N)c34)nc2c1 |r|
Nc1ncnc2n(nc(C(=O)Nc3nc4ncccc4o3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Cc1cccc2oc(NC(=O)c3nn([C@@H]4CCCN(C4)C(=O)C=C)c4ncnc(N)c34)nc12 |r|
CC(=C)C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(F)ccc3o2)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(C(=O)Nc3nc4cc(F)ccc4o3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
C\C=C\C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3ccccc3o2)c2c(N)ncnc12 |r|
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12 |r|
CCN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12 |r|
CCN(CC)C\C=C\C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12 |r|
CC(C)N(C)C\C=C\C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCCN(C1)C(=O)\C=C\CN1CCCC1 |r|
Nc1ncnc2n(nc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCCN(C1)C(=O)\C=C\CN1CCCCC1 |r|
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(ccc3o2)-c2cccs2)c2c(N)ncnc12 |r|
CC#CC(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3ccccc3o2)c2c(N)ncnc12 |r|
Cc1cc2nc(NC(=O)c3nn([C@@H]4CCCN(C4)C(=O)C=C)c4ncnc(N)c34)oc2cc1C |r|
Nc1ncnc2n(nc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
C\C=C\C(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12 |r|
[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-1-[#6]-[#6]-[#6@H](-[#6]-1)-n1nc(-[#6](=O)-[#7]-c2nc3cc(Cl)ccc3o2)c2c(-[#7])ncnc12 |r|
Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(C(=O)Nc3nc4cc(ccc4o3)-c3cccs3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Cc1ccc2oc(NC(=O)c3nn([C@@H]4CCN(C4)C(=O)C=C)c4ncnc(N)c34)nc2c1 |r|
Nc1ncnc2n(nc(C(=O)Nc3nc4cc(F)ccc4o3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(C(=O)Nc3nc4cc(ccc4o3)-c3ccc(Cl)cc3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12 |r|
CCN(C)C\C=C\C(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12 |r|
CCN(CC)C\C=C\C(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12 |r|
CC(C)N(C)C\C=C\C(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCC1 |r|
Nc1ncnc2n(nc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCCC1 |r|
COc1ccc2oc(NC(=O)c3nn([C@@H]4CCN(C4)C(=O)C=C)c4ncnc(N)c34)nc2c1 |r|
Nc1ncnc2n(nc(C(=O)Nc3nc4cc(ccc4o3)C#N)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
COCCc1ccc2oc(NC(=O)c3nn([C@@H]4CCN(C4)C(=O)C=C)c4ncnc(N)c34)nc2c1 |r|
Nc1ncnc2n(nc(C(=O)Nc3nc4cc(ccc4o3)-c3ccccc3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(ccc3o2)-c2ccccc2)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(C(=O)Nc3nc4cc(ccc4o3)C(F)(F)F)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(ccc3o2)C(F)(F)F)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)C1CN(C1)C(=O)C=C
Nc1ncnc2n(cc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)C1CN(C1)C(=O)C=C
CN(C)C\C=C\C(=O)N1CC(C1)N1CC(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c1ncnc2N
CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12 |r|
CCN(C)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12 |r|
CCN(CC)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12 |r|
CC(C)N(C)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12 |r|
Nc1ncnc2n(cc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCC1 |r|
Nc1ncnc2n(cc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCCC1 |r|
Nc1ncnc2n(cc(C(=O)Nc3nc4cc(ccc4o3)-c3ccccc3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(ccc3o2)-c2ccccc2)c2c(N)ncnc12 |r|
CCN(C)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(ccc3o2)-c2ccccc2)c2c(N)ncnc12 |r|
CCN(CC)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(ccc3o2)-c2ccccc2)c2c(N)ncnc12 |r|
CC(C)N(C)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(ccc3o2)-c2ccccc2)c2c(N)ncnc12 |r|
Nc1ncnc2n(cc(C(=O)Nc3nc4cc(ccc4o3)-c3ccccc3)c12)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCC1 |r|
Nc1ncnc2n(cc(C(=O)Nc3nc4cc(ccc4o3)-c3ccccc3)c12)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCCC1 |r|
CC1C=C(C)C2=Cc3ccc(CCC(=O)NCCN4CCN(C\C=C\C(=O)N5CCC[C@H](C5)n5nc(C(=O)Nc6nc7ccccc7o6)c6c(N)ncnc56)CC4)n3C(F)(F)N12 |r,t:2,5|
Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)[C@@H]1CCCN(C1)C(=O)\C=C\CN1CCN(CCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)CC1 |r|
Nc1ncnc2n(nc(C(=O)Nc3nc4cccc(Cl)c4o3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)[C@H]1CCN(C1)C(=O)C=C |r|
Nc1ncnc2n(CC3CCN(C3)C(=O)C=C)nc(C(=O)Nc3nc4ccccc4o3)c12
Nc1ncnc2n(CC3CCCN(C3)C(=O)C=C)nc(C(=O)Nc3nc4ccccc4o3)c12
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)nc(C(=O)Nc3nc4ccccc4o3)c12
Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)C1CCN(CC1)C(=O)C=C
Nc1ncnc2n(CC3CN(C3)C(=O)C=C)nc(C(=O)Nc3nc4ccccc4o3)c12
Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C |r,wD:22.25,25.32,(-3.56,-2.8,;-3.56,-1.26,;-4.9,-.49,;-4.9,1.05,;-3.56,1.82,;-2.23,1.05,;-.76,1.53,;.14,.28,;-.76,-.96,;-.36,-2.45,;-1.45,-3.54,;1.12,-2.85,;1.52,-4.34,;2.99,-4.81,;2.99,-6.35,;4.13,-7.38,;3.81,-8.89,;2.35,-9.37,;1.2,-8.33,;1.52,-6.83,;.62,-5.58,;-2.23,-.49,;-.36,3.02,;-1.45,4.11,;-1.06,5.59,;.43,5.99,;1.52,4.9,;1.12,3.42,;.83,7.48,;2.32,7.88,;2.72,9.37,;3.41,6.79,;4.9,7.19,)|
Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)[C@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:25.32,wD:22.25,(-3.56,-2.8,;-3.56,-1.26,;-4.9,-.49,;-4.9,1.05,;-3.56,1.82,;-2.23,1.05,;-.76,1.53,;.14,.28,;-.76,-.96,;-.36,-2.45,;-1.45,-3.54,;1.12,-2.85,;1.52,-4.34,;2.99,-4.81,;2.99,-6.35,;4.13,-7.38,;3.81,-8.89,;2.35,-9.37,;1.2,-8.33,;1.52,-6.83,;.62,-5.58,;-2.23,-.49,;-.36,3.02,;1.12,3.42,;1.52,4.9,;.43,5.99,;-1.06,5.59,;-1.45,4.11,;.83,7.48,;2.32,7.88,;2.72,9.37,;3.41,6.79,;4.9,7.19,)|
CN(C)C\C=C\C(=O)N1CC[C@@H](C1)n1nc(C(=O)Nc2nc3ccccc3o2)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)C1CN(C1)C(=O)C=C
Nc1ncnc(N[C@@H]2CCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(Nc2cccc(NC(=O)C=C)c2)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(NC[C@H]2CCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
C=CC(=O)N1CCC(COc2ncncc2-c2ccc(Oc3ccccc3)cc2)CC1
Nc1ncnc(N2CCC(CNC(=O)C=C)CC2)c1-c1ccc(Oc2ccccc2)cc1
CC#CC(=O)N1CCC(COc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1
Nc1ncnc(NCC2CCN(CC2)S(=O)(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
COCCN(C)C\C=C\C(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1
C\C=C\C(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1
Nc1ncnc(NCCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(OCC2CCCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(NCCNC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(O[C@@H]2CCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(NCC2(CCCC2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(OCC2CCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)N3CCN(C\C=C\C(=O)Nc4cccc(Oc5ncnc(N)c5-c5ccc(Oc6ccccc6)cc5)c4)CC3)n1[B-]2(F)F |c:4,t:1,7|
Nc1ncc(c(NCC2CCN(CC2)C(=O)C=C)n1)-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(OC[C@H]2CCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(OCCNC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(NC[C@@H]2CCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1cnn(Cc2ccccc2)c1
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2cccc(F)c2)cc1
CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)BCCN3CCN(C\C=C\C(=O)Nc4cccc(Oc5ncnc(N)c5-c5ccc(Oc6ccccc6)cc5)c4)CC3)n1[B-]2(C)C |c:4,t:1,7|
Cc1nc(N)c(c(NCC2CCN(CC2)C(=O)C=C)n1)-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(NCC2(O)CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(OC[C@@H]2CCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(Oc2cccc(c2)N2CC=CC2=O)c1-c1ccc(Oc2ccccc2)cc1 |c:16|
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Cc2ccccc2)cc1
Nc1ncnc(NCC2CCN(CC2)C(=O)C2=CCC2)c1-c1ccc(Oc2ccccc2)cc1 |t:17|
C\C=C/C(=O)N1CCC(COc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1
CN(CC1CCN(CC1)C(=O)C=C)c1nc(C)nc(N)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(NCC2CCN(CC2)C(=O)CCl)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(NCC2CCN(CC2)C(=O)C#C)c1-c1ccc(Oc2ccccc2)cc1
CN(CC1CCN(CC1)C(=O)C=C)c1ncnc(N)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(NCC2CC3CCC(C2)N3C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(N[C@H]2CC[C@@H](C2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(NCCCCNC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(N[C@H]2CCC[C@H](C2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(NC2CCCCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(N[C@@H]2CCC[C@H](C2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(NCC2CCN(CC2)C(=O)C(O)CO)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(Oc2cccc(NS(=O)(=O)C=C)c2)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(NCCCNC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(Oc2cncc(NC(=O)C=C)c2)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(NC[C@H]2CCN(C2)C(=O)C#C)c1-c1ccc(Oc2ccccc2)cc1 |r|
CN(C)C\C=C\C(=O)N1CC[C@H](CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)C1 |r|
CN(C)C\C=C\C(=O)N[C@@H]1CCC[C@@H](C1)Nc1ncnc(N)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(N[C@H]2CCC[C@H](C2)NC(=O)C#C)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(OC[C@@H]2CN(CCO2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(OC[C@H]2CN(CCO2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1cnn(Cc2cccc(F)c2)c1
Nc1ncnc(NCC2CC3CCC(C2)N3C(=O)C#C)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1cnn(Cc2ccc(cc2)C#N)c1
Nc1ncnc(Nc2cccc(NC(=O)C=C)c2)c1-c1cnn(Cc2ccccc2)c1
CN(C)C\C=C\C(=O)N1C2CCC1CC(CNc1ncnc(N)c1-c1ccc(Oc3ccccc3)cc1)C2
COc1ccc(Cn2cc(cn2)-c2c(N)ncnc2Oc2cccc(NC(=O)C=C)c2)cc1
CN(C)C\C=C\C(=O)N1CC[C@H](C1)Nc1ncnc(N)c1-c1ccc(Oc2ccccc2)cc1 |r|
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)Nc1ncnc(N)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(N[C@H]2CN(C[C@@H]2O)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1nccc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(F)cc1
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(OC(F)(F)F)cc1
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccc(F)cc2)cc1
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(cc1)C(F)(F)F
COc1ccc(cc1OC)-c1c(N)ncnc1NCC1CCN(CC1)C(=O)C=C
COc1cc(cc(OC)c1OC)-c1c(N)ncnc1NCC1CCN(CC1)C(=O)C=C
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc2OCCOc2c1
COc1ccc(cc1)-c1c(N)ncnc1NCC1CCN(CC1)C(=O)C=C
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccc(cc2)C#N)cc1
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1cc(F)c(Oc2ccccc2)cc1F |(-1.33,-6.93,;-2.67,-6.16,;-4,-6.93,;-5.33,-6.16,;-5.33,-4.62,;-4,-3.85,;-4,-2.31,;-5.33,-1.54,;-5.33,,;-4,.77,;-4,2.31,;-5.33,3.08,;-6.67,2.31,;-6.67,.77,;-5.33,4.62,;-4,5.39,;-6.67,5.39,;-6.67,6.93,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;,-1.54,;;1.33,-2.31,;2.67,-1.54,;4,-2.31,;4,-3.85,;5.33,-4.62,;6.67,-3.85,;6.67,-2.31,;5.33,-1.54,;1.33,-3.85,;,-4.62,;,-6.16,)|
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)c(F)c1F |(-1.33,-6.93,;-2.67,-6.16,;-4,-6.93,;-5.33,-6.16,;-5.33,-4.62,;-4,-3.85,;-4,-2.31,;-5.33,-1.54,;-5.33,,;-4,.77,;-4,2.31,;-5.33,3.08,;-6.67,2.31,;-6.67,.77,;-5.33,4.62,;-4,5.39,;-6.67,5.39,;-6.67,6.93,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;,-1.54,;1.33,-2.31,;2.67,-1.54,;4,-2.31,;4,-3.85,;5.33,-4.62,;6.67,-3.85,;6.67,-2.31,;5.33,-1.54,;1.33,-3.85,;2.67,-4.62,;,-4.62,;,-6.16,)|
Nc1ncnc(N2CCC3(CCN(C3)C(=O)C=C)CC2)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(N2CCC3(CCN(C3)C(=O)C=C)C2)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccc(O)cc2)cc1
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2cccc(c2)C(F)(F)F)cc1
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2cccnc2)cc1
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccncc2)cc1
Cc1ccc(Oc2ccc(cc2)-c2c(N)ncnc2NCC2CCN(CC2)C(=O)C=C)cc1
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(OC2CCCCC2)cc1
CN(C)C\C=C\C(=O)N1CC2(CC(C2)Oc2ncnc(N)c2Cl)C1
Nc1ncnc(NCCC2CN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(NCCC2CN(C2)C(=O)C#C)c1-c1ccc(Oc2ccccc2)cc1
CN(C)C\C=C\C(=O)N1CC2(CC(C2)Oc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)C1
Nc1ncnc(OC2CC3(C2)CN(C3)C(=O)C=C)c1-c1cnn(Cc2ccccc2)c1
Nc1ncnc(NC2CC3(C2)CN(C3)C(=O)C=C)c1-c1cnn(Cc2ccccc2)c1
CC#CC(=O)N1CC2(CC(C2)Nc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)C1
Nc1ncnc(NC[C@@H]2CCN(C[C@H]2O)C(=O)C=C)c1-c1cnn(Cc2ccccc2)c1 |r|
Nc1ncnc(NC[C@@H]2CCN(C[C@H]2O)C(=O)C#C)c1-c1cnn(Cc2ccccc2)c1 |r|
Nc1ncnc(NC2CC3(C2)CN(C3)C(=O)C#C)c1-c1cnn(Cc2ccccc2)c1
Nc1ncnc(OC2CC3(C2)CN(C3)C(=O)C#C)c1-c1cnn(Cc2ccccc2)c1
Nc1ncnc(N[C@H]2CC3(C2)CCN(C3)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r,wD:7.6,(.82,-5.93,;-.52,-5.16,;-1.85,-5.93,;-3.18,-5.16,;-3.18,-3.62,;-1.85,-2.85,;-1.85,-1.31,;-3.18,-.54,;-3.58,.94,;-5.07,.54,;-4.67,-.94,;-6.53,.07,;-7.44,1.31,;-6.53,2.56,;-5.07,2.08,;-6.93,4.05,;-5.84,5.14,;-8.42,4.45,;-8.82,5.93,;-.52,-3.62,;.82,-2.85,;2.15,-3.62,;3.48,-2.85,;3.48,-1.31,;4.82,-.54,;6.15,-1.31,;6.15,-2.85,;7.49,-3.62,;8.82,-2.85,;8.82,-1.31,;7.49,-.54,;2.15,-.54,;.82,-1.31,)|
Nc1ncnc(OC2CC3(C2)CN(C3)C(=O)C=C)c1-c1ccc(Oc2ccncc2)cc1
Nc1ncnc(NC2CC3(C2)CCN(C3)C(=O)C#C)c1-c1ccc(Oc2ccccc2)cc1 |(1.55,-5.46,;.21,-4.69,;-1.12,-5.46,;-2.45,-4.69,;-2.45,-3.15,;-1.12,-2.38,;-1.12,-.84,;-2.45,-.07,;-2.85,1.42,;-4.34,1.02,;-3.94,-.47,;-5.8,.54,;-6.71,1.79,;-5.8,3.04,;-4.34,2.56,;-6.57,4.37,;-5.49,5.46,;-8.06,4.77,;-9.55,5.17,;.21,-3.15,;1.55,-2.38,;2.88,-3.15,;4.21,-2.38,;4.21,-.84,;5.55,-.07,;6.88,-.84,;6.88,-2.38,;8.22,-3.15,;9.55,-2.38,;9.55,-.84,;8.22,-.07,;2.88,-.07,;1.55,-.84,)|
Nc1ncnc(NC2CC3(C2)CN(C3)C(=O)C=C)c1-c1cnn(Cc2ccncc2)c1
Nc1ncnc(N[C@H]2C[C@@H](C2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r,wU:9.11,wD:7.6,(-3.51,-1.9,;-3.11,-.41,;-4.2,.67,;-3.8,2.16,;-2.31,2.56,;-1.22,1.47,;.26,1.87,;.66,3.36,;1.99,4.13,;1.22,5.46,;-.11,4.69,;1.62,6.95,;3.11,7.35,;3.51,8.83,;4.2,6.26,;3.8,4.77,;-1.62,-.02,;-.53,-1.11,;-.93,-2.59,;.16,-3.68,;1.64,-3.28,;2.73,-4.37,;2.33,-5.86,;.85,-6.26,;.45,-7.75,;1.54,-8.83,;3.02,-8.44,;3.42,-6.95,;2.04,-1.8,;.95,-.71,)|
Nc1ncnc(N[C@@H]2C[C@@H](C2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r,wU:7.6,9.11,(-3.51,-1.9,;-3.11,-.41,;-4.2,.67,;-3.8,2.16,;-2.31,2.56,;-1.22,1.47,;.26,1.87,;.66,3.36,;1.99,4.13,;1.22,5.46,;-.11,4.69,;1.62,6.95,;3.11,7.35,;3.51,8.83,;4.2,6.26,;3.8,4.77,;-1.62,-.02,;-.53,-1.11,;-.93,-2.59,;.16,-3.68,;1.64,-3.28,;2.73,-4.37,;2.33,-5.86,;.85,-6.26,;.45,-7.75,;1.54,-8.83,;3.02,-8.44,;3.42,-6.95,;2.04,-1.8,;.95,-.71,)|
Nc1ncnc(NC2CC3(C2)CN(C3)S(=O)(=O)CCCl)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(OC2CC3(C2)CN(C3)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
COC1(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CCN(CC1)C(=O)C=C
Nc1ncnc(NC2CC3(CC(C3)NC(=O)C=C)C2)c1-c1ccc(Oc2ccccc2)cc1 |(1.22,-5.32,;-.11,-4.55,;-1.45,-5.32,;-2.78,-4.55,;-2.78,-3.01,;-1.45,-2.24,;-1.45,-.7,;-2.78,.07,;-3.18,1.55,;-4.67,1.15,;-5.07,2.64,;-6.55,2.24,;-6.16,.76,;-7.89,3.01,;-7.89,4.55,;-9.22,5.32,;-6.55,5.32,;-5.22,4.55,;-4.27,-.33,;-.11,-3.01,;1.22,-2.24,;2.55,-3.01,;3.89,-2.24,;3.89,-.7,;5.22,.07,;6.55,-.7,;6.55,-2.24,;7.89,-3.01,;9.22,-2.24,;9.22,-.7,;7.89,.07,;2.55,.07,;1.22,-.7,)|
Nc1ncnc(NC2CCC22CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(NC2CC3(C2)CN(C3)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(NC2CCN(C(=O)C=C)C3(CCC3)C2)c1-c1ccc(Oc2ccccc2)cc1
CN(C)C\C=C\C(=O)N1CC[C@@H](CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)[C@H](O)C1 |r|
CN(C)C\C=C\C(=O)N1CC2(CC(C2)Nc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)C1
CC#CC(=O)c1cccc(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)c1
CC=CC(=O)c1cccc(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)c1 |w:1.0|
Nc1ncnc(N[C@H]2CCC[C@@H](C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
CC=CC(=O)[C@H]1CCCC(C1)Nc1ncnc(N)c1-c1ccc(Oc2ccccc2)cc1 |r,w:1.0|
CC#CC(=O)[C@H]1CCCC(C1)Nc1ncnc(N)c1-c1ccc(Oc2ccccc2)cc1 |r|
CC=CC(=O)[C@H]1CCC[C@H](C1)Nc1ncnc(N)c1-c1ccc(Oc2ccccc2)cc1 |r,w:1.0|
CC#CC(=O)[C@H]1CCC[C@H](C1)Nc1ncnc(N)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(N[C@H]2CCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1nccc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(OCc2ccccc2)cc1
Nc1ncc(c(NC2CCCN(C2)C(=O)C=C)n1)-c1ccc(Oc2ccccc2)cc1
CN(C)C\C=C\C(=O)Nc1cccc(Nc2ccnc(N)c2-c2ccc(Oc3ccccc3)cc2)c1
CN(C)C\C=C\C(=O)Nc1cccc(Nc2ccnc(N)c2-c2ccc(OCc3ccccc3)cc2)c1
CN(C)C\C=C\C(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1
Nc1ncnc(N[C@@H]2CC[C@@H](CC2)NC(=O)C=C)c1-c1ccc(OCc2ccccc2)cc1 |r,wU:7.6,10.13,(,-5.77,;-1.33,-5,;-2.67,-5.77,;-4,-5,;-4,-3.46,;-2.67,-2.69,;-2.67,-1.16,;-4,-.39,;-4,1.15,;-5.33,1.92,;-6.67,1.15,;-6.67,-.39,;-5.33,-1.16,;-8,1.92,;-8,3.46,;-6.67,4.23,;-9.34,4.23,;-9.34,5.77,;-1.33,-3.46,;,-2.69,;1.33,-3.46,;2.67,-2.69,;2.67,-1.16,;4,-.39,;5.33,-1.16,;6.67,-.39,;8,-1.16,;9.34,-.39,;9.34,1.16,;8,1.92,;6.67,1.16,;1.33,-.39,;,-1.16,)|
Nc1ncnc(NCC2CCN(C2)C(=O)C=C)c1-c1ccc(cc1)C(=O)Nc1ccccc1
Nc1ncnc(NCC2CCN(C2)C(=O)C=C)c1-c1ccc(OCc2ccccc2)cc1
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(cc1)C(=O)Nc1ccccc1
Nc1nccc(Nc2cc(NC(=O)C=C)ccc2F)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(N[C@@H]2CC[C@@H](CC2)NC(=O)C=C)c1-c1ccc(cc1)C(=O)Nc1ccccc1 |r,wU:7.6,10.13,(,-5.77,;-1.33,-5,;-2.67,-5.77,;-4,-5,;-4,-3.46,;-2.67,-2.69,;-2.67,-1.16,;-4,-.39,;-4,1.15,;-5.33,1.92,;-6.67,1.15,;-6.67,-.39,;-5.33,-1.16,;-8,1.92,;-8,3.46,;-6.67,4.23,;-9.34,4.23,;-9.34,5.77,;-1.33,-3.46,;,-2.69,;1.33,-3.46,;2.67,-2.69,;2.67,-1.16,;1.33,-.39,;,-1.16,;4,-.39,;4,1.15,;5.33,-1.16,;6.67,-.39,;8,-1.16,;9.34,-.39,;9.34,1.16,;8,1.92,;6.67,1.16,)|
CN(C)C\C=C\C(=O)N1CCCC(C1)Nc1ncnc(N)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(Oc2cc(NC(=O)C=C)ccc2F)c1-c1ccc(Oc2ccccc2)nc1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(Oc2ccccn2)cc1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1cccc(c1)S(N)(=O)=O
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1cccc(OC(F)(F)F)c1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(Oc2ccccc2F)nc1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(Oc2ccc(F)cc2)nc1
C=CC(=O)Nc1cccc(Nc2ncncc2-c2ccc(Oc3ccccc3)cc2)n1
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)nc1
Nc1ncnc(NCC2(O)CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2cccc(c2)C(F)(F)F)cc1
Nc1ncnc(NC[C@@H]2CCN(C[C@H]2O)C(=O)C=C)c1-c1ccc(Oc2cccc(c2)C(F)(F)F)cc1 |r|
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1cnn(Cc2ccccc2)c1
Nc1ncnc(N[C@@H]2CCC[C@@H](C2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(N[C@H]2CCC[C@@H](C2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(NC23CC(C2)(CC3)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |(-.82,-6.28,;-2.15,-5.51,;-3.48,-6.28,;-4.82,-5.51,;-4.82,-3.97,;-3.48,-3.2,;-3.48,-1.66,;-4.82,-.89,;-4.82,.65,;-6.28,1.13,;-5.88,-.36,;-7.19,-.12,;-6.28,-1.37,;-6.68,2.61,;-5.59,3.7,;-4.1,3.3,;-5.99,5.19,;-4.9,6.28,;-2.15,-3.97,;-.82,-3.2,;.52,-3.97,;1.85,-3.2,;1.85,-1.66,;3.19,-.89,;4.52,-1.66,;4.52,-3.2,;5.85,-3.97,;7.19,-3.2,;7.19,-1.66,;5.85,-.89,;.52,-.89,;-.82,-1.66,)|
Nc1ncnc(N[C@@H]2CCN(C2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(N[C@@H]2CCCN(C2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(N[C@@H]2CCCN(C2)C(=O)C=C)c1-c1cnn(Cc2ccccc2)c1 |r|
Nc1ncnc(N[C@H]2CC[C@H](C2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(NCC2CC(C2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |(,-6.48,;-1.33,-5.71,;-2.67,-6.48,;-4,-5.71,;-4,-4.17,;-2.67,-3.4,;-2.67,-1.86,;-4,-1.09,;-4,.45,;-2.91,1.54,;-4,2.63,;-5.09,1.54,;-4,4.17,;-5.33,4.94,;-5.33,6.48,;-6.67,4.17,;-8,4.94,;-1.33,-4.17,;,-3.4,;1.33,-4.17,;2.67,-3.4,;2.67,-1.86,;4,-1.09,;5.33,-1.86,;5.33,-3.4,;6.67,-4.17,;8,-3.4,;8,-1.86,;6.67,-1.09,;1.33,-1.09,;,-1.86,)|
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1cnn(Cc2cc(F)cc(F)c2)c1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1cnn(Cc2ccccc2F)c1
Nc1ncnc(NC2CC(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |(.94,-4.39,;-.39,-3.62,;-1.72,-4.39,;-3.06,-3.62,;-3.06,-2.08,;-1.72,-1.31,;-1.72,.23,;-3.06,1,;-3.46,2.48,;-4.94,2.08,;-4.55,.6,;-6.28,2.85,;-6.28,4.39,;-7.61,2.08,;-8.95,2.85,;-.39,-2.08,;.94,-1.31,;2.28,-2.08,;3.61,-1.31,;3.61,.23,;4.94,1,;6.28,.23,;6.28,-1.31,;7.61,-2.08,;8.95,-1.31,;8.95,.23,;7.61,1,;2.28,1,;.94,.23,)|
Nc1ncnc(Nc2cncc(NC(=O)C=C)c2)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1cnn(Cc2ccc(F)cc2)c1
Nc1ncnc(N[C@@H]2C[C@@H](O)C[C@@H](C2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(Oc2cncc(NC(=O)C=C)c2)c1-c1cnn(Cc2ccccc2)c1
Cc1cccc(Cn2cc(cn2)-c2c(N)ncnc2Oc2cccc(NC(=O)C=C)c2)c1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1cnn(Cc2cccc(Cl)c2)c1
Nc1ncnc(OC[C@H]2CN(CCO2)C(=O)C=C)c1-c1cnn(Cc2ccccc2)c1 |r|
Nc1ncnc(OC[C@@H]2CN(CCO2)C(=O)C=C)c1-c1cnn(Cc2ccccc2)c1 |r|
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1cnn(Cc2ccccc2C#N)c1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Nc1ncnc(OC[C@@H]2CCN(C2)C(=O)C=C)c1-c1cnn(Cc2ccccc2)c1 |r|
Nc1ncnc(Oc2cncc(NC(=O)C=C)c2)c1-c1ccc(Oc2ccc(cc2)C#N)cc1
COc1cccc(Cn2cc(cn2)-c2c(N)ncnc2Oc2cccc(NC(=O)C=C)c2)c1
Nc1ncnc(NC[C@@H]2CCN(C[C@H]2O)C(=O)C=C)c1-c1ccc(Oc2ccc(cc2)C#N)cc1 |r|
Nc1ncnc(OC[C@H]2CN(CCO2)C(=O)C=C)c1-c1ccc(Oc2ccc(cc2)C#N)cc1 |r|
Nc1ncnc(OC[C@@H]2CCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccc(cc2)C#N)cc1 |r|
Nc1ncnc(OC2CC3(C2)CN(C3)C(=O)C=C)c1-c1ccc(Oc2ccc(cc2)C#N)cc1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1cnn(Cc2cccc(c2)C#N)c1
Nc1ncnc(N[C@H]2C[C@H](F)CN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(N[C@@H]2C[C@@H](F)CN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
COC(=O)c1cccc(Cn2cc(cn2)-c2c(N)ncnc2Oc2cccc(NC(=O)C=C)c2)c1
Nc1ncnc(NC2CC3(C2)CN(C3)C(=O)C=C)c1-c1ccc(Oc2ccc(cc2)C#N)cc1
Nc1ncnc(NCC2CC3CCC(C2)N3C(=O)C=C)c1-c1ccc(Oc2ccc(cc2)C#N)cc1
Nc1ncnc(NCC2CC3CCC(C2)N3C(=O)C=C)c1-c1cnn(Cc2ccccc2)c1
Nc1ncnc(N[C@@H]2CN(CC[C@H]2O)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
CS(=O)(=O)c1cccc(Cn2cc(cn2)-c2c(N)ncnc2Oc2cccc(NC(=O)C=C)c2)c1
CN(C)c1cccc(Cn2cc(cn2)-c2c(N)ncnc2Oc2cccc(NC(=O)C=C)c2)c1
CC#CC(=O)N1CC[C@@H](CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)[C@H](O)C1 |r|
Nc1ncnc(NCC2(CCN(CC2)C(=O)C=C)C(O)=O)c1-c1ccc(Oc2ccccc2)cc1
CN(C)C\C=C\C(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)(CC1)C(O)=O
Nc1ncnc(NCC2CCN(CC2)C(=O)\C=C\CN2CC(F)C2)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(NCC2CCN(CC2)C(=O)\C=C\CN2CC(F)(F)C2)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(NCC2CCN(CC2)C(=O)\C=C\CN2CCCC2)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(OC2CC3(C2)CN(C3)C(=O)C=C)c1-c1ccc(Oc2cccnc2)cc1
Nc1ncnc(OC2CC3(C2)CN(C3)C(=O)\C=C\CN2CC(F)C2)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(OC2CC3(C2)CN(C3)C(=O)\C=C\CN2CC(F)(F)C2)c1-c1ccc(Oc2ccccc2)cc1
CN(C)C\C=C\C(=O)N[C@H]1C[C@H](C1)Nc1ncnc(N)c1-c1ccc(Oc2ccccc2)cc1 |r,wU:11.13,9.8,(6.78,4.88,;5.69,5.97,;6.09,7.45,;4.2,5.57,;3.11,6.66,;1.62,6.26,;.53,7.35,;.93,8.83,;-.95,6.95,;-1.35,5.46,;-.58,4.13,;-1.92,3.36,;-2.69,4.69,;-2.31,1.87,;-3.8,1.47,;-4.89,2.56,;-6.38,2.16,;-6.78,.67,;-5.69,-.41,;-6.09,-1.9,;-4.2,-.02,;-3.11,-1.11,;-3.51,-2.59,;-2.42,-3.68,;-.93,-3.28,;.16,-4.37,;-.24,-5.86,;-1.73,-6.26,;-2.13,-7.75,;-1.04,-8.83,;.45,-8.44,;.85,-6.95,;-.53,-1.8,;-1.62,-.71,)|
Nc1ncnc(NCC2(F)CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
CN(C)C\C=C\C(=O)N1CCC2(CC(C2)Nc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)C1 |(6.25,8.14,;4.76,8.54,;4.36,10.03,;3.67,7.45,;2.19,7.85,;1.1,6.76,;-.39,7.16,;-.79,8.65,;-1.48,6.07,;-3.02,6.07,;-3.5,4.61,;-2.25,3.7,;-1.16,2.61,;-2.25,1.52,;-3.34,2.61,;-2.25,-.02,;-3.58,-.79,;-4.92,-.02,;-6.25,-.79,;-6.25,-2.33,;-4.92,-3.1,;-4.92,-4.64,;-3.58,-2.33,;-2.25,-3.1,;-2.25,-4.64,;-.92,-5.41,;.42,-4.64,;1.75,-5.41,;1.75,-6.95,;.42,-7.72,;.42,-9.26,;1.75,-10.03,;3.09,-9.26,;3.09,-7.72,;.42,-3.1,;-.92,-2.33,;-1,4.61,)|
CN(C)C\C=C\C(=O)N1CCC(F)(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1
CN(C)C\C=C\C(=O)N[C@H]1C[C@@H](C1)Nc1ncnc(N)c1-c1ccc(Oc2ccccc2)cc1 |r,wU:9.8,wD:11.13,(2.94,-7.09,;4.28,-6.32,;5.61,-7.09,;4.28,-4.78,;5.61,-4.01,;5.61,-2.47,;6.94,-1.7,;8.28,-2.47,;6.94,-.16,;5.61,.61,;4.12,.21,;3.72,1.7,;5.21,2.1,;2.39,2.47,;2.39,4.01,;3.72,4.78,;3.72,6.32,;2.39,7.09,;1.06,6.32,;-.28,7.09,;1.06,4.78,;-.28,4.01,;-1.61,4.78,;-2.94,4.01,;-2.94,2.47,;-4.28,1.7,;-5.61,2.47,;-5.61,4.01,;-6.94,4.78,;-8.28,4.01,;-8.28,2.47,;-6.94,1.7,;-1.61,1.7,;-.28,2.47,)|
Nc1ncnc(NCC2(F)CCN(CC2)C(=O)CCN2CCCCC2)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2F)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1-c1cccc(NC(=O)C=C)c1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(Oc2ccccc2)cc1
Nc1nccc(Oc2ccc(Oc3ccccc3)cc2)c1-c1cccc(NC(=O)C=C)c1
Nc1nccc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(Oc2ccc(Oc3ccccc3)cc2)c1-c1cccc(NC(=O)C=C)c1
Nc1ncnc(Oc2cc(NC(=O)C=C)ccc2F)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(N[C@@H]2CCCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1c(N)ncnc1Oc1ccc(Oc2ccccc2)cc1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(OCc2ccccc2)cc1
Nc1ncnc(Oc2cc(NC(=O)C=C)c(F)cc2F)c1-c1ccc(Oc2ccccc2)cc1
CN(C)C\C=C\C(=O)Nc1cccc(Oc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)c1
Nc1ncnc(NC2CCCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
COc1ccccc1COc1ccc(cc1)-c1c(N)ncnc1Oc1cccc(NC(=O)C=C)c1
C=CC(=O)Nc1cccc(Oc2ncncc2-c2ccc(Oc3ccccc3)cc2)c1
COc1cc(ccc1OCc1ccccc1)-c1c(N)ncnc1Oc1cccc(NC(=O)C=C)c1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(OCc2ccccc2)c(F)c1F |(1.33,-3.85,;,-3.08,;-1.33,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-5.33,1.54,;-6.67,.77,;-8,1.54,;-8,3.08,;-9.34,.77,;-10.67,1.54,;-4,.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;10.67,1.54,;10.67,3.08,;9.34,3.85,;8,3.08,;2.67,1.54,;2.67,3.08,;1.33,.77,;,1.54,)|
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(cc1)C(=O)Nc1ccccc1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(OCc2ccccc2)nc1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(OCc2cccc(F)c2)cc1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1cnc(OCc2ccccc2)nc1
Nc1ncnc(NCC2CCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(Oc2ccc(Oc3ccccc3)cc2)c1C1=CCN(CC1)C(=O)C=C |t:24|
COc1ccc(COc2ccc(cc2)-c2c(N)ncnc2Oc2cccc(NC(=O)C=C)c2)cc1
Nc1ncnc(Oc2cccc(NC(=O)\C=C\CN3CCOCC3)c2)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(N[C@@H]2CC[C@@H](CC2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r,wU:7.6,10.13,(.67,-5.78,;-.67,-5,;-2,-5.78,;-3.33,-5,;-3.33,-3.47,;-2,-2.69,;-2,-1.15,;-3.33,-.38,;-3.33,1.15,;-4.67,1.93,;-6,1.15,;-6,-.38,;-4.67,-1.15,;-7.34,1.93,;-7.34,3.47,;-6,4.23,;-8.67,4.23,;-8.67,5.78,;-.67,-3.47,;.67,-2.69,;2,-3.47,;3.33,-2.69,;3.33,-1.15,;4.67,-.38,;6,-1.15,;6,-2.69,;7.34,-3.47,;8.67,-2.69,;8.67,-1.15,;7.34,-.38,;2,-.38,;.67,-1.15,)|
C=CC(=O)Nc1cccc(c1)-c1cnccc1Nc1ccc(Oc2ccccc2)cc1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(Oc2ccccc2)nc1
Nc1ncnc(NC2CCCN(C2)C(=O)C=C)c1-c1ccc(OCc2ccccc2)cc1
C=CC(=O)Nc1cccc(Oc2ccncc2-c2ccc(Oc3ccccc3)cc2)c1
Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1nccc(Oc2ccc(Oc3ccccc3)cc2)c1-c1cccc(NC(=O)C=C)c1
Nc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1C1=CCCN(C1)C(=O)C=C |t:24|
Nc1ncnc(Oc2ccc(Oc3ccccc3)cc2)c1-c1cccc(NC(=O)\C=C\CN2CCOCC2)c1
Nc1ncnc(N[C@H]2CCCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(N[C@H]2CC[C@@H](CC2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r,wU:10.13,wD:7.6,(.67,-5.78,;-.67,-5.01,;-2,-5.78,;-3.33,-5.01,;-3.33,-3.47,;-2,-2.7,;-2,-1.16,;-3.33,-.39,;-3.33,1.15,;-4.67,1.92,;-6,1.15,;-6,-.39,;-4.67,-1.16,;-7.34,1.93,;-7.34,3.47,;-6,4.24,;-8.67,4.24,;-8.67,5.78,;-.67,-3.47,;.67,-2.7,;2,-3.47,;3.33,-2.7,;3.33,-1.16,;4.67,-.39,;6,-1.16,;6,-2.7,;7.34,-3.47,;8.67,-2.7,;8.67,-1.16,;7.34,-.39,;2,-.39,;.67,-1.16,)|
COc1cc(ccc1F)-c1c(N)ncnc1Oc1cccc(NC(=O)C=C)c1
CC(C)(O)c1ccc(cc1)-c1c(N)ncnc1Oc1cccc(NC(=O)C=C)c1
Nc1ncnc(Oc2ccc(Oc3ccccc3)cc2)c1C1=CCCN(C1)C(=O)C=C |t:24|
Nc1ncnc(Oc2ccc(NC(=O)C=C)cc2)c1-c1ccc(Oc2ccccc2)cc1
C=CC(=O)Nc1ccc(cc1)-c1cnccc1Oc1ccc(Oc2ccccc2)cc1
CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1cnccc1Oc1ccc(Oc2ccccc2)cc1
C=CC(=O)Nc1cccc(c1)-c1cncnc1Nc1ccc(Oc2ccccc2)cc1
C=CC(=O)N1CCCC(C1)Nc1ncncc1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(cc1)C(=O)N1CCCC1
Nc1ncnc(NCC2CCCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
C=CC(=O)NCc1ccc(cc1)-c1cnccc1Oc1ccc(Oc2ccccc2)cc1
C=CC(=O)N1CCC=C(C1)c1cnccc1Oc1ccc(Oc2ccccc2)cc1 |c:7|
CC(C)Oc1ccc(cc1)-c1c(N)ncnc1Oc1cccc(NC(=O)C=C)c1
CN(C)C\C=C\C(=O)Nc1ccc(Oc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)cc1
COc1cncc(c1)-c1c(N)ncnc1Oc1cccc(NC(=O)C=C)c1
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(OCc2ccccc2)cc1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1c(F)cc(OCc2ccccc2)cc1F |(1.33,-3.85,;,-3.08,;-1.33,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-5.33,1.54,;-6.67,.77,;-8,1.54,;-8,3.08,;-9.34,.77,;-10.67,1.54,;-4,.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;10.67,1.54,;10.67,3.08,;9.34,3.85,;8,3.08,;4,-.77,;2.67,-1.54,;2.67,-3.08,)|
CC#CC(=O)Nc1cccc(c1)-c1cnccc1Oc1ccc(Oc2ccccc2)cc1
C=CC(=O)Nc1ccc(Oc2ccncc2-c2ccc(Oc3ccccc3)cc2)cc1
Nc1ncnc(N2CCCC(C2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(NC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Nc1cccc(c1)-c1c(N)nccc1Oc1ccc(Oc2ccccc2)cc1
Nc1ncnc(Oc2ccc(Oc3ccccc3)cc2)c1-c1cccc(NC(=O)\C=C\CN2CCCC(F)(F)C2)c1
C=CC(=O)NCc1cccc(c1)-c1cnccc1Oc1ccc(Oc2ccccc2)cc1
Nc1ccc(Oc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)cc1
CC#CC(=O)NCc1cccc(c1)-c1cnccc1Oc1ccc(Oc2ccccc2)cc1
Nc1cccc(Oc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)c1
Nc1ncc(c(Oc2ccc(Oc3ccccc3)cc2)n1)-c1cccc(NC(=O)C=C)c1
C\C=C\C(=O)Nc1cccc(c1)-c1cnccc1Oc1ccc(Oc2ccccc2)cc1
CCC(=O)Nc1ccc(Oc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)cc1
Nc1ncnc(N2CCCC(CNC(=O)C=C)C2)c1-c1ccc(Oc2ccccc2)cc1
CCC(=O)Nc1cccc(c1)-c1c(N)nccc1Oc1ccc(Oc2ccccc2)cc1
C[C@@H](Nc1ncnc(N)c1-c1cccc(NC(=O)C=C)c1)c1ccccc1 |r|
Nc1cccc(c1)-c1cnccc1Oc1ccc(Oc2ccccc2)cc1
Nc1cccc(Oc2ccnc(N)c2-c2ccc(Oc3ccccc3)cc2)c1
Nc1ccc(cc1)-c1cnccc1Oc1ccc(Oc2ccccc2)cc1
NCc1ccc(cc1)-c1cnccc1Oc1ccc(Oc2ccccc2)cc1
NCc1cccc(c1)-c1cnccc1Oc1ccc(Oc2ccccc2)cc1
Nc1cccc(c1)-c1c(N)ncnc1Oc1ccc(Oc2ccccc2)cc1
CCC(=O)Nc1cccc(Oc2ccncc2-c2ccc(Oc3ccccc3)cc2)c1
CCC(=O)Nc1cccc(c1)-c1cnccc1Oc1ccc(Oc2ccccc2)cc1
CC(=C)C(=O)Nc1cccc(c1)-c1cnccc1Oc1ccc(Oc2ccccc2)cc1
CCC(=O)NCc1ccc(cc1)-c1cnccc1Oc1ccc(Oc2ccccc2)cc1
CCC(=O)Nc1cccc(c1)-c1c(N)ncnc1Oc1ccc(Oc2ccccc2)cc1
CCC(=O)Nc1cccc(Oc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)c1
C\C=C\C(=O)NCc1cccc(c1)-c1cnccc1Oc1ccc(Oc2ccccc2)cc1
CCC(=O)Nc1cccc(Oc2ccnc(C(N)=O)c2-c2ccc(Oc3ccccc3)cc2)c1
Nc1ncnc(Oc2cccc(NC(=O)C3(CC3)C#N)c2)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(Oc2ccc(Oc3ccccc3)cc2)c1-c1cccc(NC(=O)C2(CC2)C#N)c1
CCC(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1
C=CC(=O)N1CCC(CNc2ncncc2-c2ccc(Oc3ccccc3)cc2)CC1
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccn2)cc1
CC#CC(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1
Nc1ncnc(NCC2CCN(CC2)c2cccc(Cl)n2)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(OCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1cc(F)c(OCc2ccccc2)cc1F |(1.33,-3.85,;,-3.08,;-1.33,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-5.33,1.54,;-6.67,.77,;-8,1.54,;-8,3.08,;-9.34,.77,;-10.67,1.54,;-4,.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;10.67,1.54,;10.67,3.08,;9.34,3.85,;8,3.08,;2.67,1.54,;1.33,.77,;,1.54,)|
CC#CC(=O)Nc1cccc(Oc2ccnc(N)c2-c2ccc(Oc3ccccc3)cc2)c1
CC#CC(=O)N1CC[C@H](C1)Nc1ncnc(N)c1-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(Oc2cccc(NC(=O)CCl)c2)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(OCc2ccc(F)cc2)cc1
Nc1ncnc(Oc2cccc(NC(=O)CCl)c2)c1-c1ccc(OCc2cccc(F)c2)cc1
CCC(=O)Nc1cccc(Oc2ncnc(N)c2-c2ccc(OCc3ccccc3)cc2)c1
Nc1ncnc(Oc2cccc(NC(=O)CCl)c2)c1-c1ccc(OCc2ccccc2)cc1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(OCc2ccccc2)c(F)c1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(OCc2ccccc2)cc1F |(5.33,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;1.33,-2.69,;,-1.93,;-1.33,-2.69,;-2.67,-1.93,;-4,-2.69,;-4,-4.23,;-2.67,-5,;-2.67,-6.54,;-4,-7.31,;-5.33,-6.54,;-4,-8.85,;-5.33,-9.63,;-1.33,-4.23,;2.67,-1.93,;2.67,-.38,;1.33,.38,;1.33,1.93,;2.67,2.69,;2.67,4.23,;1.33,5,;1.33,6.54,;2.67,7.31,;2.67,8.85,;1.33,9.63,;,8.85,;,7.31,;4,1.93,;4,.38,;5.33,-.38,)|
Nc1ncnc(Oc2cccc(NC(=O)CCl)c2)c1-c1ccc(OCc2ccccc2)cc1F |(5.33,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;1.33,-2.69,;,-1.93,;-1.33,-2.69,;-2.67,-1.93,;-4,-2.69,;-4,-4.23,;-2.67,-5,;-2.67,-6.54,;-4,-7.31,;-5.33,-6.54,;-4,-8.85,;-2.67,-9.63,;-1.33,-4.23,;2.67,-1.93,;2.67,-.38,;1.33,.38,;1.33,1.93,;2.67,2.69,;2.67,4.23,;4,5,;4,6.54,;5.33,7.31,;5.33,8.85,;4,9.63,;2.67,8.85,;2.67,7.31,;4,1.93,;4,.38,;5.33,-.38,)|
Nc1ncnc(Oc2cccc(NC(=O)CCl)c2)c1-c1ccc(OCc2ccccc2)c(F)c1
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(NC(=O)c2ccccc2)cc1
Cc1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1-c1cccc(c1C)-n1c(=O)[nH]c2c(F)cccc2c1=O)C(C)(C)O |(2.91,1.54,;1.58,2.31,;1.58,3.85,;.24,4.62,;.24,6.16,;1.58,6.93,;-1.09,6.93,;-1.09,3.85,;-2.55,4.33,;-3.46,3.08,;-4.99,2.92,;-5.62,1.51,;-4.71,.27,;-3.18,.43,;-2.55,1.83,;-1.09,2.31,;.24,1.54,;.24,,;-1.09,-.77,;-1.09,-2.31,;.24,-3.08,;1.58,-2.31,;1.58,-.77,;1.98,.72,;2.91,-3.08,;2.91,-4.62,;1.58,-5.39,;4.25,-5.39,;5.58,-4.62,;6.91,-5.39,;6.91,-6.93,;8.25,-4.62,;8.25,-3.08,;6.91,-2.31,;5.58,-3.08,;4.25,-2.31,;4.25,-.77,;-7.16,1.51,;-8.25,.42,;-6.76,.02,;-7.93,2.85,)|
CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cn1
CN1CCN(CC1)c2ccc(cc2F)Nc3nc4c(cc[nH]4)c(n3)Oc5cccc(c5)NC(=O)C=C
CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)S(=O)(=O)C=C |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)S(=O)(=O)C=C |r|
CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCOCC1 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCCC1 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCC1 |r|
C\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r|
CC(C)\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r|
COC\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C\C=C\C(O)=O)C1 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C/C(O)=O |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C\CBr |r|
CC(=O)OC\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r|
CS(=O)(=O)NC\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C\CO |r|
CC#CC(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)C#C |r|
CC#CC(=O)N[C@H]1CC[C@H](CC1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r,wU:9.12,6.5,(5.24,-4.53,;4.15,-5.62,;3.06,-6.7,;1.97,-7.79,;2.37,-9.28,;.49,-7.4,;.09,-5.91,;-1.4,-5.51,;-1.8,-4.02,;-.71,-2.93,;.78,-3.33,;1.18,-4.82,;-1.11,-1.45,;-.2,-.2,;-1.11,1.05,;-2.57,.57,;-3.91,1.34,;-3.91,2.88,;-5.24,.57,;-2.57,-.97,;-3.91,-1.74,;-.71,2.53,;.78,2.93,;1.18,4.42,;.09,5.51,;.49,7,;1.97,7.4,;3.06,6.31,;4.55,6.7,;4.95,8.19,;3.86,9.28,;2.37,8.88,;-1.4,5.11,;-1.8,3.62,)|
NC(=O)c1cn(nc1-c1ccc(cc1)-c1ccccc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1cn(nc1-c1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1cn(nc1-c1cccc(OCc2ccccc2)c1)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1cn(nc1-c1ccc(Cc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1nn(cc1C(N)=O)[C@@H]1CCCN(C1)C(=O)C=C |r|
Cc1cc(C)n(n1)-c1ccc(cc1)-c1nn(cc1C(N)=O)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1cn(nc1-c1ccc2occc2c1)[C@@H]1CCCN(C1)C(=O)C=C |r|
CS(=O)(=O)Nc1cccc(c1)-c1nn(cc1C(N)=O)[C@@H]1CCCN(C1)C(=O)C=C |r|
COc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)-c1nn(cc1C(N)=O)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1cn(nc1-c1ccc(OCc2ccccn2)c(Cl)c1)[C@@H]1CCCN(C1)C(=O)C=C |r|
COc1cc(ccc1Oc1ccccc1)-c1nn(cc1C(N)=O)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)c(F)c1)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)c(Cl)c1)[C@@H]1CCCN(C1)C(=O)C=C |r|
COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn(cc1C(N)=O)[C@@H]1CCCN(C1)C(=O)C=C |r|
COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(cc1C(N)=O)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1cn(nc1-c1ccc(Nc2nc3ccccc3o2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2(C1)CN(C2)C(=O)C=C
NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1cc(C(N)=O)c(n1)-c1ccc(Oc2ccccc2)cc1 |r|
CC#CC(=O)N1CCC[C@H](C1)n1cc(C(N)=O)c(n1)-c1ccc(Oc2ccccc2)cc1 |r|
CC#CC(=O)N1CCC[C@H]1Cn1cc(C(N)=O)c(n1)-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1cn(C[C@@H]2CCCN2C(=O)C=C)nc1-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1sc(CCNC(=O)C=C)nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2(C1)CN(C2)C(=O)C=C
CN(C)C\C=C\C(=O)N1CCC[C@H]1Cn1cc(C(N)=O)c(n1)-c1ccc(Oc2ccccc2)cc1 |r|
CN(C)C\C=C\C(=O)N1CC[C@@]2(C[C@@H](C2)n2cc(C(N)=O)c(n2)-c2ccc(Oc3ccccc3)cc2)C1 |r,wU:13.15,11.10,wD:11.39,(6.4,-9.14,;6.4,-7.6,;7.73,-6.83,;5.06,-6.83,;3.73,-7.6,;2.39,-6.83,;1.06,-7.6,;1.06,-9.14,;-.27,-6.83,;-1.74,-7.3,;-2.64,-6.06,;-1.74,-4.81,;-1.34,-3.32,;-2.83,-2.92,;-3.23,-4.41,;-3.6,-1.59,;-5.06,-1.11,;-5.06,.43,;-6.4,1.2,;-6.4,2.74,;-7.73,.43,;-3.6,.9,;-2.69,-.34,;-3.2,2.39,;-1.71,2.79,;-1.31,4.28,;-2.4,5.36,;-2,6.85,;-.52,7.25,;.57,6.16,;2.06,6.56,;2.46,8.05,;1.37,9.14,;-.12,8.74,;-3.89,4.97,;-4.29,3.48,;-.27,-5.29,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2cc(C(N)=O)c(n2)-c2ccc(Oc3ccccc3)cc2)C1 |r,wU:10.12,8.7,wD:8.36,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-3.73,-1.11,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-2.26,.9,;-1.36,-.34,;-1.86,2.39,;-.38,2.79,;.02,4.28,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.91,6.16,;3.4,6.56,;3.79,8.05,;2.7,9.14,;1.22,8.74,;-2.55,4.97,;-2.95,3.48,;1.06,-5.29,)|
NC(=O)c1cn(CCNC(=O)C=C)nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)cc1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:21.23,23.28,wD:23.32,(-4.39,2.74,;-4.39,1.2,;-5.73,.43,;-3.06,.43,;-3.06,-1.11,;-1.6,-1.59,;-.69,-.34,;-1.6,.9,;-1.2,2.39,;.29,2.79,;.69,4.28,;-.4,5.36,;-0,6.85,;1.49,7.25,;2.57,6.16,;4.06,6.56,;4.46,8.05,;3.37,9.14,;1.88,8.74,;-1.89,4.97,;-2.29,3.48,;-.83,-2.92,;.66,-3.32,;.26,-4.81,;-1.22,-4.41,;-.64,-6.06,;.26,-7.3,;1.73,-6.83,;1.73,-5.29,;3.06,-7.6,;3.06,-9.14,;4.39,-6.83,;5.73,-7.6,)|
CC#CC(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1
NC(=O)c1cn(CC2CCN(C2)C(=O)C=C)nc1-c1ccc(Oc2ccccc2)cc1
CC#CC(=O)N1CCC(Cn2cc(C(N)=O)c(n2)-c2ccc(Oc3ccccc3)cc2)C1
NC(=O)c1c(N)n(CCNC(=O)C=C)nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1cn(CC2CCCN(C2)C(=O)C=C)nc1-c1ccc(Oc2ccccc2)cc1
NC(=O)c1[nH]c(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1cn(CC2CCN(CC2)C(=O)C=C)nc1-c1ccc(Oc2ccccc2)cc1
CC#CC(=O)N1CCCC(Cn2cc(C(N)=O)c(n2)-c2ccc(Oc3ccccc3)cc2)C1
CC#CC(=O)N1CCC(Cn2cc(C(N)=O)c(n2)-c2ccc(Oc3ccccc3)cc2)CC1
NC(=O)c1sc(C[C@@H]2CCCN2C(=O)C=C)nc1-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1sc(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CCC[C@H](C1)c1nc(c(s1)C(N)=O)-c1ccc(Oc2ccccc2)cc1 |r|
CC#CC(=O)N1CCC[C@H]1Cc1nc(c(s1)C(N)=O)-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)cc1)C1CCN(CC1)C(=O)C=C
CC#CC(=O)N1CCC(CC1)n1cc(C(N)=O)c(n1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1sc(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2(C1)CN(C2)C(=O)C=C
CC#CC(=O)N1CC2(CC(C2)c2nc(c(s2)C(N)=O)-c2ccc(Oc3ccccc3)cc2)C1
CC#CC(=O)N1CCC[C@H](C1)c1nc(c([nH]1)C(N)=O)-c1ccc(Oc2ccccc2)cc1 |r|
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2nn(cc2C(N)=O)[C@@H]2CCCN(C2)C(=O)C=C)c1 |r|
NC(=O)c1cn(nc1-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1cn(nc1-c1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1cn(nc1-c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
CS(=O)(=O)c1ccc(Oc2ccc(cc2)-c2nn(cc2C(N)=O)[C@@H]2CCCN(C2)C(=O)C=C)cc1 |r|
CS(=O)(=O)c1cccc(Oc2ccc(cc2)-c2nn(cc2C(N)=O)[C@@H]2CCCN(C2)C(=O)C=C)c1 |r|
NC(=O)c1cn(nc1-c1ccc(Oc2ccc(Cl)c(F)c2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
COc1ccc(Oc2ccc(cc2)-c2nn(cc2C(N)=O)[C@@H]2CCCN(C2)C(=O)C=C)cc1 |r|
NC(=O)c1cn(nc1-c1ccc(Oc2cccc(Cl)c2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1cn(nc1-c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1cn(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
Cc1ccc(Oc2ccc(cc2)-c2nn(cc2C(N)=O)[C@@H]2CCCN(C2)C(=O)C=C)cc1 |r|
Cc1cccc(Oc2ccc(cc2)-c2nn(cc2C(N)=O)[C@@H]2CCCN(C2)C(=O)C=C)c1 |r|
NC(=O)c1cn(nc1-c1ccc(Oc2cccc(F)c2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1cn(nc1-c1ccc(Oc2ccc(cc2)C#N)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1cn(nc1-c1ccc(Oc2cccc(c2)C#N)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2(C1)CN(C2)C(=O)\C=C\CN1CCOCC1
CC#CC(=O)N1CC[C@]2(C[C@@H](C2)c2nc(c(s2)C(N)=O)-c2ccc(Oc3ccccc3)cc2)C1 |r,wU:10.12,8.36,wD:8.7,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-3.73,-1.11,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-1.86,2.39,;-.38,2.79,;.02,4.28,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.91,6.16,;3.4,6.56,;3.79,8.05,;2.7,9.14,;1.22,8.74,;-2.55,4.97,;-2.95,3.48,;1.06,-5.29,)|
NC(=O)c1sc(nc1-c1ccc(Oc2ccccc2)cc1)[C@H]1C[C@@]2(C1)CCN(C2)C(=O)C=C |r,wU:21.23,23.32,wD:23.28,(-4.39,2.74,;-4.39,1.2,;-5.73,.43,;-3.06,.43,;-3.06,-1.11,;-1.6,-1.59,;-.69,-.34,;-1.6,.9,;-1.2,2.39,;.29,2.79,;.69,4.28,;-.4,5.36,;-0,6.85,;1.49,7.25,;2.57,6.16,;4.06,6.56,;4.46,8.05,;3.37,9.14,;1.88,8.74,;-1.89,4.97,;-2.29,3.48,;-.83,-2.92,;.66,-3.32,;.26,-4.81,;-1.22,-4.41,;-.64,-6.06,;.26,-7.3,;1.73,-6.83,;1.73,-5.29,;3.06,-7.6,;3.06,-9.14,;4.39,-6.83,;5.73,-7.6,)|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.29,wD:24.33,(-4.39,2.74,;-4.39,1.2,;-5.73,.43,;-3.06,.43,;-3.06,-1.11,;-4.39,-1.88,;-1.6,-1.59,;-.69,-.34,;-1.6,.9,;-1.2,2.39,;.29,2.79,;.69,4.28,;-.4,5.36,;-0,6.85,;1.49,7.25,;2.57,6.16,;4.06,6.56,;4.46,8.05,;3.37,9.14,;1.88,8.74,;-1.89,4.97,;-2.29,3.48,;-.83,-2.92,;.66,-3.32,;.26,-4.81,;-1.22,-4.41,;-.64,-6.06,;.26,-7.3,;1.73,-6.83,;1.73,-5.29,;3.06,-7.6,;3.06,-9.14,;4.39,-6.83,;5.73,-7.6,)|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@H]1C[C@@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.33,wD:24.29,(-4.39,2.74,;-4.39,1.2,;-5.73,.43,;-3.06,.43,;-3.06,-1.11,;-4.39,-1.88,;-1.6,-1.59,;-.69,-.34,;-1.6,.9,;-1.2,2.39,;.29,2.79,;.69,4.28,;-.4,5.36,;-0,6.85,;1.49,7.25,;2.57,6.16,;4.06,6.56,;4.46,8.05,;3.37,9.14,;1.88,8.74,;-1.89,4.97,;-2.29,3.48,;-.83,-2.92,;.66,-3.32,;.26,-4.81,;-1.22,-4.41,;-.64,-6.06,;.26,-7.3,;1.73,-6.83,;1.73,-5.29,;3.06,-7.6,;3.06,-9.14,;4.39,-6.83,;5.73,-7.6,)|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2(C1)CCN(CC2)C(=O)C=C
CC#CC(=O)N1CCC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)CC1
NC(=O)c1sc(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2(C1)CCN(CC2)C(=O)C=C
CC#CC(=O)N1CCC2(CC(C2)c2nc(c(s2)C(N)=O)-c2ccc(Oc3ccccc3)cc2)CC1
NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2(C1)CCN(CC2)C(=O)C=C
CC#CC(=O)N1CCC2(CC(C2)c2nc(c([nH]2)C(N)=O)-c2ccc(Oc3ccccc3)cc2)CC1
NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)cc1)[C@H]1C[C@@]2(C1)CCN(C2)C(=O)C=C |r,wU:21.23,23.32,wD:23.28,(-4.39,2.74,;-4.39,1.2,;-5.73,.43,;-3.06,.43,;-3.06,-1.11,;-1.6,-1.59,;-.69,-.34,;-1.6,.9,;-1.2,2.39,;.29,2.79,;.69,4.28,;-.4,5.36,;-0,6.85,;1.49,7.25,;2.57,6.16,;4.06,6.56,;4.46,8.05,;3.37,9.14,;1.88,8.74,;-1.89,4.97,;-2.29,3.48,;-.83,-2.92,;.66,-3.32,;.26,-4.81,;-1.22,-4.41,;-.64,-6.06,;.26,-7.3,;1.73,-6.83,;1.73,-5.29,;3.06,-7.6,;3.06,-9.14,;4.39,-6.83,;5.73,-7.6,)|
CC#CC(=O)N1CC[C@]2(C[C@@H](C2)n2cc(C(N)=O)c(n2)-c2ccc(Oc3ccccc3)cc2)C1 |r,wU:10.12,8.36,wD:8.7,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-3.73,-1.11,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-2.26,.9,;-1.36,-.34,;-1.86,2.39,;-.38,2.79,;.02,4.28,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.91,6.16,;3.4,6.56,;3.79,8.05,;2.7,9.14,;1.22,8.74,;-2.55,4.97,;-2.95,3.48,;1.06,-5.29,)|
CNC(=O)\C=C\CN1CCC[C@H](C1)n1cc(C(N)=O)c(n1)-c1ccc(Oc2ccccc2)cc1 |r|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1 |r,wU:10.12,8.7,wD:8.37,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-.38,2.79,;.02,4.28,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.91,6.16,;3.4,6.56,;3.79,8.05,;2.7,9.14,;1.22,8.74,;-2.55,4.97,;-2.95,3.48,;1.06,-5.29,)|
CC#CC(=O)N1CC[C@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1 |r,wU:10.12,8.37,wD:8.7,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-.38,2.79,;.02,4.28,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.91,6.16,;3.4,6.56,;3.79,8.05,;2.7,9.14,;1.22,8.74,;-2.55,4.97,;-2.95,3.48,;1.06,-5.29,)|
NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)C#CCN1CCOCC1 |r|
NC(=O)c1cn(nc1-c1ccc(cc1)C(=O)N1CCCCC1)[C@@H]1CCCN(C1)C(=O)C=C |r|
COCCOc1ccc(cc1)-c1nn(cc1C(N)=O)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2F)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2(CC(C2)NC(=O)C=C)C1
CN(C)C\C=C\C(=O)N1CC[C@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1 |r,wU:13.15,11.40,wD:11.10,(7.28,-7.01,;5.95,-7.78,;5.95,-9.32,;4.61,-7.01,;3.28,-7.78,;1.95,-7.01,;.61,-7.78,;.61,-9.32,;-.72,-7.01,;-2.19,-7.49,;-3.09,-6.24,;-2.19,-5,;-1.42,-3.66,;-2.75,-2.89,;-3.52,-4.23,;-3.15,-1.4,;-2.24,-.16,;-3.15,1.09,;-4.61,.61,;-5.95,1.38,;-5.95,2.92,;-7.28,.61,;-4.61,-.93,;-5.95,-1.7,;-2.75,2.57,;-1.26,2.97,;-.86,4.46,;-1.95,5.55,;-1.55,7.04,;-.07,7.44,;1.02,6.35,;2.51,6.75,;2.91,8.23,;1.82,9.32,;.33,8.92,;-3.44,5.15,;-3.84,3.66,;-.72,-5.47,)|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@H]1C[C@@]2(C1)CCN(C2)C(=O)\C=C\CN1CCOCC1 |r,wU:22.24,24.33,wD:24.29,(-6.61,3.31,;-6.61,1.77,;-7.95,1,;-5.28,1,;-5.28,-.54,;-6.61,-1.31,;-3.82,-1.02,;-2.91,.23,;-3.82,1.47,;-3.42,2.96,;-1.93,3.36,;-1.53,4.85,;-2.62,5.93,;-2.22,7.42,;-.73,7.82,;.36,6.73,;1.84,7.13,;2.24,8.62,;1.15,9.71,;-.33,9.31,;-4.11,5.54,;-4.51,4.05,;-3.42,-2.51,;-2.08,-3.28,;-2.85,-4.61,;-4.19,-3.84,;-3.76,-5.86,;-2.85,-7.1,;-1.39,-6.63,;-1.39,-5.09,;-.05,-7.4,;-.05,-8.94,;1.28,-6.63,;2.61,-7.4,;3.95,-6.63,;5.28,-7.4,;5.28,-8.94,;6.61,-9.71,;7.95,-8.94,;7.95,-7.4,;6.61,-6.63,)|
CN(C)C\C=C\C(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)nc1)C1CC2(C1)CN(C2)C(=O)C=C
CC#CC(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)nc2)C1
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cn1)C1CC2(C1)CN(C2)C(=O)C=C
NC(=O)c1c(N)n(nc1-c1ccc(OCC2CC2)cc1)C1CC2(C1)CN(C2)C(=O)C=C
CC(C)Oc1ccc(cc1)-c1nn(C2CC3(C2)CN(C3)C(=O)C=C)c(N)c1C(N)=O
CC#CC(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(OC(C)C)cc2)C1
CCCOc1ccc(cc1)-c1nn(C2CC3(C2)CN(C3)C(=O)C#CC)c(N)c1C(N)=O
CC#CC(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(OC(F)(F)F)cc2)C1
NC(=O)c1c(N)n(nc1-c1ccc(OC(F)(F)F)cc1)C1CC2(C1)CN(C2)C(=O)C=C
CC#CC(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cn2)C1
CCCOc1ccc(cc1)-c1nn(C2CC3(C2)CN(C3)C(=O)C=C)c(N)c1C(N)=O
NC(=O)c1c(N)n(nc1-c1ccc(OC2CC2)cc1)C1CC2(C1)CN(C2)C(=O)C=C
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)nc1)[C@H]1C[C@@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.33,wD:24.29,(-4.39,2.74,;-4.39,1.2,;-5.73,.43,;-3.06,.43,;-3.06,-1.11,;-4.39,-1.88,;-1.6,-1.59,;-.69,-.34,;-1.6,.9,;-1.2,2.39,;-2.29,3.48,;-1.89,4.97,;-.4,5.36,;-0,6.85,;1.49,7.25,;2.57,6.16,;4.06,6.56,;4.46,8.05,;3.37,9.14,;1.88,8.74,;.69,4.28,;.29,2.79,;-.83,-2.92,;.66,-3.32,;.26,-4.81,;-1.22,-4.41,;-.64,-6.06,;.26,-7.3,;1.73,-6.83,;1.73,-5.29,;3.06,-7.6,;3.06,-9.14,;4.39,-6.83,;5.73,-7.6,)|
CC#CC(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(OCC(F)(F)F)cc2)C1
NC(=O)c1c(N)n(nc1-c1ccc(OCC(F)(F)F)cc1)C1CC2(C1)CN(C2)C(=O)C=C
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cn1)[C@H]1C[C@@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.33,wD:24.29,(-4.39,2.74,;-4.39,1.2,;-5.73,.43,;-3.06,.43,;-3.06,-1.11,;-4.39,-1.88,;-1.6,-1.59,;-.69,-.34,;-1.6,.9,;-1.2,2.39,;-2.29,3.48,;-1.89,4.97,;-.4,5.36,;-0,6.85,;1.49,7.25,;2.57,6.16,;4.06,6.56,;4.46,8.05,;3.37,9.14,;1.88,8.74,;.69,4.28,;.29,2.79,;-.83,-2.92,;.66,-3.32,;.26,-4.81,;-1.22,-4.41,;-.64,-6.06,;.26,-7.3,;1.73,-6.83,;1.73,-5.29,;3.06,-7.6,;3.06,-9.14,;4.39,-6.83,;5.73,-7.6,)|
CC#CC(=O)N1CC[C@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cn2)C1 |r,wU:10.12,8.37,wD:8.7,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-2.95,3.48,;-2.55,4.97,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.91,6.16,;3.4,6.56,;3.79,8.05,;2.7,9.14,;1.22,8.74,;.02,4.28,;-.38,2.79,;1.06,-5.29,)|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cn1)[C@H]1C[C@]2(C1)CCCN(C2)C(=O)C=C |r,wU:22.24,24.29,wD:24.34,(-4.74,1.91,;-4.74,.37,;-6.08,-.4,;-3.41,-.4,;-3.41,-1.94,;-4.74,-2.71,;-1.94,-2.42,;-1.04,-1.17,;-1.94,.07,;-1.54,1.56,;-2.63,2.65,;-2.24,4.14,;-.75,4.53,;-.35,6.02,;1.14,6.42,;2.23,5.33,;3.71,5.73,;4.11,7.22,;3.02,8.31,;1.54,7.91,;.34,3.45,;-.06,1.96,;-1.17,-3.75,;.31,-4.15,;-.08,-5.64,;-1.57,-5.24,;-.85,-6.97,;-.08,-8.31,;1.46,-8.31,;2.23,-6.97,;1.46,-5.64,;3.77,-6.97,;4.54,-8.31,;4.54,-5.64,;6.08,-5.64,)|
CC#CC(=O)N1CC[C@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)nc2)C1 |r,wU:10.12,8.37,wD:8.7,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-2.95,3.48,;-2.55,4.97,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.91,6.16,;3.4,6.56,;3.79,8.05,;2.7,9.14,;1.22,8.74,;.02,4.28,;-.38,2.79,;1.06,-5.29,)|
CC(C)Oc1ccc(cc1Cl)-c1nn(C2CC3(C2)CN(C3)C(=O)C=C)c(N)c1C(N)=O
CCCOc1ccc(cc1)-c1nn([C@H]2C[C@@]3(C2)CCN(C3)C(=O)C=C)c(N)c1C(N)=O |r,wU:13.13,15.22,wD:15.18,(3.37,9.14,;1.88,8.74,;1.49,7.25,;-0,6.85,;-.4,5.36,;.69,4.28,;.29,2.79,;-1.2,2.39,;-2.29,3.48,;-1.89,4.97,;-1.6,.9,;-.69,-.34,;-1.6,-1.59,;-.83,-2.92,;.66,-3.32,;.26,-4.81,;-1.22,-4.41,;-.64,-6.06,;.26,-7.3,;1.73,-6.83,;1.73,-5.29,;3.06,-7.6,;3.06,-9.14,;4.39,-6.83,;5.73,-7.6,;-3.06,-1.11,;-4.39,-1.88,;-3.06,.43,;-4.39,1.2,;-4.39,2.74,;-5.73,.43,)|
CCCOc1ccc(cc1)-c1nn([C@H]2C[C@@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O |r,wU:13.13,15.22,wD:15.18,(2.7,9.14,;1.22,8.74,;.82,7.25,;-.67,6.85,;-1.07,5.36,;.02,4.28,;-.38,2.79,;-1.86,2.39,;-2.95,3.48,;-2.55,4.97,;-2.26,.9,;-1.36,-.34,;-2.26,-1.59,;-1.49,-2.92,;-.01,-3.32,;-.4,-4.81,;-1.89,-4.41,;-1.31,-6.06,;-.4,-7.3,;1.06,-6.83,;1.06,-5.29,;2.39,-7.6,;2.39,-9.14,;3.73,-6.83,;5.06,-6.06,;6.4,-5.29,;-3.73,-1.11,;-5.06,-1.88,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(cc2)C(F)(F)F)C1 |r,wU:10.12,8.7,wD:8.33,(6.4,-4.89,;5.06,-5.66,;3.73,-6.43,;2.39,-7.2,;2.39,-8.74,;1.06,-6.43,;-.4,-6.9,;-1.31,-5.66,;-.4,-4.41,;-.01,-2.92,;-1.49,-2.53,;-1.89,-4.01,;-2.26,-1.19,;-1.36,.05,;-2.26,1.3,;-3.73,.82,;-5.06,1.59,;-5.06,3.13,;-6.4,.82,;-3.73,-.72,;-5.06,-1.49,;-1.86,2.79,;-.38,3.19,;.02,4.67,;-1.07,5.76,;-2.55,5.36,;-2.95,3.88,;-.67,7.25,;.82,7.65,;-1.76,8.34,;-.27,8.74,;1.06,-4.89,)|
CC#CC(=O)N1CC[C@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(cc2)C(F)(F)F)C1 |r,wU:10.12,8.33,wD:8.7,(6.4,-4.89,;5.06,-5.66,;3.73,-6.43,;2.39,-7.2,;2.39,-8.74,;1.06,-6.43,;-.4,-6.9,;-1.31,-5.66,;-.4,-4.41,;-.01,-2.92,;-1.49,-2.53,;-1.89,-4.01,;-2.26,-1.19,;-1.36,.05,;-2.26,1.3,;-3.73,.82,;-5.06,1.59,;-5.06,3.13,;-6.4,.82,;-3.73,-.72,;-5.06,-1.49,;-1.86,2.79,;-.38,3.19,;.02,4.67,;-1.07,5.76,;-2.55,5.36,;-2.95,3.88,;-.67,7.25,;.82,7.65,;-1.76,8.34,;-.27,8.74,;1.06,-4.89,)|
NC(=O)c1c(N)n(nc1-c1ccc(cc1)C(F)(F)F)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:19.20,21.25,wD:21.29,(-4.39,3.13,;-4.39,1.59,;-5.73,.82,;-3.06,.82,;-3.06,-.72,;-4.39,-1.49,;-1.6,-1.19,;-.69,.05,;-1.6,1.3,;-1.2,2.79,;.29,3.19,;.69,4.67,;-.4,5.76,;-1.89,5.36,;-2.29,3.88,;-0,7.25,;1.49,7.65,;-1.09,8.34,;.4,8.74,;-.83,-2.53,;.66,-2.92,;.26,-4.41,;-1.22,-4.01,;-.64,-5.66,;.26,-6.9,;1.73,-6.43,;1.73,-4.89,;3.06,-7.2,;3.06,-8.74,;4.39,-6.43,;5.73,-7.2,)|
NC(=O)c1c(N)n(nc1-c1ccc(cc1)C(F)(F)F)[C@H]1C[C@@]2(C1)CCN(C2)C(=O)C=C |r,wU:19.20,21.29,wD:21.25,(-4.39,3.13,;-4.39,1.59,;-5.73,.82,;-3.06,.82,;-3.06,-.72,;-4.39,-1.49,;-1.6,-1.19,;-.69,.05,;-1.6,1.3,;-1.2,2.79,;.29,3.19,;.69,4.67,;-.4,5.76,;-1.89,5.36,;-2.29,3.88,;-0,7.25,;1.49,7.65,;-1.09,8.34,;.4,8.74,;-.83,-2.53,;.66,-2.92,;.26,-4.41,;-1.22,-4.01,;-.64,-5.66,;.26,-6.9,;1.73,-6.43,;1.73,-4.89,;3.06,-7.2,;3.06,-8.74,;4.39,-6.43,;5.73,-7.2,)|
NC(=O)c1c(N)n(nc1-c1ccc(OC2CCCC2)cc1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:21.23,23.28,wD:23.32,(-4.39,3.06,;-4.39,1.52,;-5.73,.75,;-3.06,.75,;-3.06,-.79,;-4.39,-1.56,;-1.6,-1.27,;-.69,-.02,;-1.6,1.22,;-1.2,2.71,;.29,3.11,;.69,4.59,;-.4,5.68,;-0,7.17,;1.49,7.57,;2.39,6.32,;3.86,6.8,;3.86,8.34,;2.39,8.82,;-1.89,5.29,;-2.29,3.8,;-.83,-2.6,;.66,-3,;.26,-4.49,;-1.22,-4.09,;-.64,-5.74,;.26,-6.98,;1.73,-6.51,;1.73,-4.97,;3.06,-7.28,;3.06,-8.82,;4.39,-6.51,;5.73,-7.28,)|
NC(=O)c1c(N)n(nc1-c1ccc(O)cc1)C1CC2(C1)CN(C2)C(=O)C=C
NC(=O)c1c(N)n(nc1-c1ccc(OC2CCOC2)cc1)C1CC2(C1)CN(C2)C(=O)C=C
NC(=O)c1c(N)n(nc1-c1ccc(Cl)c(c1)C(F)(F)F)C1CC2(C1)CN(C2)C(=O)C=C
CC#CC(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(Cl)c(c2)C(F)(F)F)C1
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(F)c(OCC(F)(F)F)c2)C1 |r,wU:10.12,8.7,wD:8.36,(6.4,-4.74,;5.06,-5.51,;3.73,-6.28,;2.39,-7.05,;2.39,-8.59,;1.06,-6.28,;-.4,-6.76,;-1.31,-5.51,;-.4,-4.27,;-.01,-2.78,;-1.49,-2.38,;-1.89,-3.87,;-2.26,-1.05,;-1.36,.2,;-2.26,1.45,;-3.73,.97,;-5.06,1.74,;-5.06,3.28,;-6.4,.97,;-3.73,-.57,;-5.06,-1.34,;-1.86,2.93,;-2.95,4.02,;-2.55,5.51,;-1.07,5.91,;-.67,7.4,;.02,4.82,;1.51,5.22,;1.91,6.71,;3.4,7.1,;3.79,8.59,;4.48,6.02,;4.88,7.5,;-.38,3.33,;1.06,-4.74,)|
CCCOc1ccc(cc1F)-c1nn(C2CC3(C2)CN(C3)C(=O)C#CC)c(N)c1C(N)=O
CCCOc1ccc(cc1F)-c1nn(C2CC3(C2)CN(C3)C(=O)C=C)c(N)c1C(N)=O
CCCOc1ccc(cc1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O |r,wU:13.13,15.18,wD:15.22,(2.7,9.14,;1.22,8.74,;.82,7.25,;-.67,6.85,;-1.07,5.36,;.02,4.28,;-.38,2.79,;-1.86,2.39,;-2.95,3.48,;-2.55,4.97,;-2.26,.9,;-1.36,-.34,;-2.26,-1.59,;-1.49,-2.92,;-.01,-3.32,;-.4,-4.81,;-1.89,-4.41,;-1.31,-6.06,;-.4,-7.3,;1.06,-6.83,;1.06,-5.29,;2.39,-7.6,;2.39,-9.14,;3.73,-6.83,;5.06,-6.06,;6.4,-5.29,;-3.73,-1.11,;-5.06,-1.88,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,)|
CC#CC(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(c(F)c2)C(F)(F)F)C1
NC(=O)c1c(N)n(nc1-c1ccc(c(F)c1)C(F)(F)F)C1CC2(C1)CN(C2)C(=O)C=C
CC#CC(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(F)c(c2)C(F)(F)F)C1
NC(=O)c1c(N)n(nc1-c1ccc(F)c(c1)C(F)(F)F)C1CC2(C1)CN(C2)C(=O)C=C
CCCOc1ccc(cc1Cl)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O |r,wU:14.14,16.19,wD:16.23,(2.7,9.14,;1.22,8.74,;.82,7.25,;-.67,6.85,;-1.07,5.36,;.02,4.28,;-.38,2.79,;-1.86,2.39,;-2.95,3.48,;-2.55,4.97,;-3.64,6.05,;-2.26,.9,;-1.36,-.34,;-2.26,-1.59,;-1.49,-2.92,;-.01,-3.32,;-.4,-4.81,;-1.89,-4.41,;-1.31,-6.06,;-.4,-7.3,;1.06,-6.83,;1.06,-5.29,;2.39,-7.6,;2.39,-9.14,;3.73,-6.83,;5.06,-6.06,;6.4,-5.29,;-3.73,-1.11,;-5.06,-1.88,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,)|
NC(=O)c1c(N)n(nc1-c1ccc(F)c(OCC(F)(F)F)c1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.23,24.28,wD:24.32,(-4.39,2.24,;-4.39,.7,;-5.73,-.07,;-3.06,-.07,;-3.06,-1.61,;-4.39,-2.38,;-1.6,-2.08,;-.69,-.84,;-1.6,.41,;-1.2,1.9,;.29,2.3,;.69,3.78,;-.4,4.87,;-0,6.36,;-1.89,4.47,;-2.98,5.56,;-2.58,7.05,;-3.67,8.14,;-5.15,7.74,;-3.27,9.63,;-4.76,9.23,;-2.29,2.99,;-.83,-3.42,;.66,-3.81,;.26,-5.3,;-1.22,-4.9,;-.64,-6.55,;.26,-7.79,;1.73,-7.32,;1.73,-5.78,;3.06,-8.09,;3.06,-9.63,;4.39,-7.32,;5.73,-8.09,)|
CC#CC(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(cc2)C(F)(F)F)C1
CCCOc1ccc(cc1Cl)-c1nn(C2CC3(C2)CN(C3)C(=O)C#CC)c(N)c1C(N)=O
CC#CC(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(F)c(OCC(F)(F)F)c2)C1
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)nc2)C1 |r,wU:10.12,8.7,wD:8.37,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-2.95,3.48,;-2.55,4.97,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.91,6.16,;3.4,6.56,;3.79,8.05,;2.7,9.14,;1.22,8.74,;.02,4.28,;-.38,2.79,;1.06,-5.29,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccn3)cc2)C1 |r,wU:10.12,8.7,wD:8.37,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-.38,2.79,;.02,4.28,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.22,8.74,;2.7,9.14,;3.79,8.05,;3.4,6.56,;1.91,6.16,;-2.55,4.97,;-2.95,3.48,;1.06,-5.29,)|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccn2)cc1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.29,wD:24.33,(-4.39,2.74,;-4.39,1.2,;-5.73,.43,;-3.06,.43,;-3.06,-1.11,;-4.39,-1.88,;-1.6,-1.59,;-.69,-.34,;-1.6,.9,;-1.2,2.39,;.29,2.79,;.69,4.28,;-.4,5.36,;-0,6.85,;1.49,7.25,;1.88,8.74,;3.37,9.14,;4.46,8.05,;4.06,6.56,;2.57,6.16,;-1.89,4.97,;-2.29,3.48,;-.83,-2.92,;.66,-3.32,;.26,-4.81,;-1.22,-4.41,;-.64,-6.06,;.26,-7.3,;1.73,-6.83,;1.73,-5.29,;3.06,-7.6,;3.06,-9.14,;4.39,-6.83,;5.73,-7.6,)|
COc1ccc(cc1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C=C)c(N)c1C(N)=O |r,wU:11.11,13.16,wD:13.20,(1.49,8.19,;-0,7.79,;-.4,6.31,;.69,5.22,;.29,3.73,;-1.2,3.33,;-2.29,4.42,;-1.89,5.91,;-1.6,1.84,;-.69,.6,;-1.6,-.65,;-.83,-1.98,;.66,-2.38,;.26,-3.87,;-1.22,-3.47,;-.64,-5.11,;.26,-6.36,;1.73,-5.88,;1.73,-4.34,;3.06,-6.65,;3.06,-8.19,;4.39,-5.88,;5.73,-6.65,;-3.06,-.17,;-4.39,-.94,;-3.06,1.37,;-4.39,2.14,;-4.39,3.68,;-5.73,1.37,)|
COc1ccc(cc1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O |r,wU:11.11,13.16,wD:13.20,(.82,8.19,;-.67,7.79,;-1.07,6.31,;.02,5.22,;-.38,3.73,;-1.86,3.33,;-2.95,4.42,;-2.55,5.91,;-2.26,1.84,;-1.36,.6,;-2.26,-.65,;-1.49,-1.98,;-.01,-2.38,;-.4,-3.87,;-1.89,-3.47,;-1.31,-5.11,;-.4,-6.36,;1.06,-5.88,;1.06,-4.34,;2.39,-6.65,;2.39,-8.19,;3.73,-5.88,;5.06,-5.11,;6.4,-4.34,;-3.73,-.17,;-5.06,-.94,;-3.73,1.37,;-5.06,2.14,;-5.06,3.68,;-6.4,1.37,)|
COc1cccc(c1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C=C)c(N)c1C(N)=O |r,wU:11.11,13.16,wD:13.20,(-2.58,8.34,;-2.98,6.85,;-1.89,5.76,;-.4,6.16,;.69,5.07,;.29,3.58,;-1.2,3.19,;-2.29,4.28,;-1.6,1.7,;-.69,.45,;-1.6,-.79,;-.83,-2.13,;.66,-2.53,;.26,-4.01,;-1.22,-3.61,;-.64,-5.26,;.26,-6.5,;1.73,-6.03,;1.73,-4.49,;3.06,-6.8,;3.06,-8.34,;4.39,-6.03,;5.73,-6.8,;-3.06,-.32,;-4.39,-1.09,;-3.06,1.22,;-4.39,1.99,;-4.39,3.53,;-5.73,1.22,)|
NC(=O)c1c(N)n(nc1-c1ccc(OC2CC2)cc1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:19.21,21.26,wD:21.30,(-4.39,3.13,;-4.39,1.59,;-5.73,.82,;-3.06,.82,;-3.06,-.72,;-4.39,-1.49,;-1.6,-1.19,;-.69,.05,;-1.6,1.3,;-1.2,2.79,;.29,3.19,;.69,4.67,;-.4,5.76,;-0,7.25,;1.49,7.65,;2.97,7.25,;2.57,8.74,;-1.89,5.36,;-2.29,3.88,;-.83,-2.53,;.66,-2.92,;.26,-4.41,;-1.22,-4.01,;-.64,-5.66,;.26,-6.9,;1.73,-6.43,;1.73,-4.89,;3.06,-7.2,;3.06,-8.74,;4.39,-6.43,;5.73,-7.2,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(OC3CC3)cc2)C1 |r,wU:10.12,8.7,wD:8.34,(6.4,-4.89,;5.06,-5.66,;3.73,-6.43,;2.39,-7.2,;2.39,-8.74,;1.06,-6.43,;-.4,-6.9,;-1.31,-5.66,;-.4,-4.41,;-.01,-2.92,;-1.49,-2.53,;-1.89,-4.01,;-2.26,-1.19,;-1.36,.05,;-2.26,1.3,;-3.73,.82,;-5.06,1.59,;-5.06,3.13,;-6.4,.82,;-3.73,-.72,;-5.06,-1.49,;-1.86,2.79,;-.38,3.19,;.02,4.67,;-1.07,5.76,;-.67,7.25,;.82,7.65,;2.31,7.25,;1.91,8.74,;-2.55,5.36,;-2.95,3.88,;1.06,-4.89,)|
COc1ccc(-c2nn([C@H]3C[C@]4(C3)CCN(C4)C(=O)C#CC)c(N)c2C(N)=O)c(Cl)c1 |r,wU:9.8,11.13,wD:11.17,(.82,8.19,;-.67,7.79,;-1.07,6.31,;-2.55,5.91,;-2.95,4.42,;-1.86,3.33,;-2.26,1.84,;-1.36,.6,;-2.26,-.65,;-1.49,-1.98,;-.01,-2.38,;-.4,-3.87,;-1.89,-3.47,;-1.31,-5.11,;-.4,-6.36,;1.06,-5.88,;1.06,-4.34,;2.39,-6.65,;2.39,-8.19,;3.73,-5.88,;5.06,-5.11,;6.4,-4.34,;-3.73,-.17,;-5.06,-.94,;-3.73,1.37,;-5.06,2.14,;-5.06,3.68,;-6.4,1.37,;-.38,3.73,;.71,2.64,;.02,5.22,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(OC(F)(F)F)cc2)C1 |r,wU:10.12,8.7,wD:8.34,(6.4,-5.09,;5.06,-5.86,;3.73,-6.63,;2.39,-7.4,;2.39,-8.94,;1.06,-6.63,;-.4,-7.1,;-1.31,-5.86,;-.4,-4.61,;-.01,-3.12,;-1.49,-2.72,;-1.89,-4.21,;-2.26,-1.39,;-1.36,-.15,;-2.26,1.1,;-3.73,.62,;-5.06,1.39,;-5.06,2.93,;-6.4,.62,;-3.73,-.92,;-5.06,-1.69,;-1.86,2.59,;-.38,2.99,;.02,4.47,;-1.07,5.56,;-.67,7.05,;.82,7.45,;1.91,6.36,;1.22,8.94,;2.31,7.85,;-2.55,5.16,;-2.95,3.68,;1.06,-5.09,)|
CCCOc1ccc(cc1F)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O |r,wU:14.14,16.19,wD:16.23,(2.7,9.14,;1.22,8.74,;.82,7.25,;-.67,6.85,;-1.07,5.36,;.02,4.28,;-.38,2.79,;-1.86,2.39,;-2.95,3.48,;-2.55,4.97,;-3.64,6.05,;-2.26,.9,;-1.36,-.34,;-2.26,-1.59,;-1.49,-2.92,;-.01,-3.32,;-.4,-4.81,;-1.89,-4.41,;-1.31,-6.06,;-.4,-7.3,;1.06,-6.83,;1.06,-5.29,;2.39,-7.6,;2.39,-9.14,;3.73,-6.83,;5.06,-6.06,;6.4,-5.29,;-3.73,-1.11,;-5.06,-1.88,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,)|
NC(=O)c1c(N)n(nc1-c1ccc(OC(F)(F)F)cc1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:20.21,22.26,wD:22.30,(-4.39,2.93,;-4.39,1.39,;-5.73,.62,;-3.06,.62,;-3.06,-.92,;-4.39,-1.69,;-1.6,-1.39,;-.69,-.15,;-1.6,1.1,;-1.2,2.59,;.29,2.99,;.69,4.47,;-.4,5.56,;-0,7.05,;1.49,7.45,;2.57,6.36,;1.88,8.94,;2.97,7.85,;-1.89,5.16,;-2.29,3.68,;-.83,-2.72,;.66,-3.12,;.26,-4.61,;-1.22,-4.21,;-.64,-5.86,;.26,-7.1,;1.73,-6.63,;1.73,-5.09,;3.06,-7.4,;3.06,-8.94,;4.39,-6.63,;5.73,-7.4,)|
NC(=O)c1c(N)n(nc1-c1ccc(OCC(F)(F)F)cc1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:21.22,23.27,wD:23.31,(-4.39,2.19,;-4.39,.65,;-5.73,-.12,;-3.06,-.12,;-3.06,-1.66,;-4.39,-2.43,;-1.6,-2.13,;-.69,-.89,;-1.6,.36,;-1.2,1.84,;.29,2.24,;.69,3.73,;-.4,4.82,;-0,6.31,;1.49,6.71,;1.88,8.19,;.8,9.28,;3.37,8.59,;2.28,9.68,;-1.89,4.42,;-2.29,2.93,;-.83,-3.47,;.66,-3.87,;.26,-5.35,;-1.22,-4.96,;-.64,-6.6,;.26,-7.85,;1.73,-7.37,;1.73,-5.83,;3.06,-8.14,;3.06,-9.68,;4.39,-7.37,;5.73,-8.14,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(OCC(F)(F)F)cc2)C1 |r,wU:10.12,8.7,wD:8.35,(6.4,-5.83,;5.06,-6.6,;3.73,-7.37,;2.39,-8.14,;2.39,-9.68,;1.06,-7.37,;-.4,-7.85,;-1.31,-6.6,;-.4,-5.35,;-.01,-3.87,;-1.49,-3.47,;-1.89,-4.96,;-2.26,-2.13,;-1.36,-.89,;-2.26,.36,;-3.73,-.12,;-5.06,.65,;-5.06,2.19,;-6.4,-.12,;-3.73,-1.66,;-5.06,-2.43,;-1.86,1.84,;-.38,2.24,;.02,3.73,;-1.07,4.82,;-.67,6.31,;.82,6.71,;1.22,8.19,;.13,9.28,;2.7,8.59,;1.62,9.68,;-2.55,4.42,;-2.95,2.93,;1.06,-5.83,)|
CCCOc1ccc(cc1F)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C=C)c(N)c1C(N)=O |r,wU:14.14,16.19,wD:16.23,(3.37,9.14,;1.88,8.74,;1.49,7.25,;-0,6.85,;-.4,5.36,;.69,4.28,;.29,2.79,;-1.2,2.39,;-2.29,3.48,;-1.89,4.97,;-2.98,6.05,;-1.6,.9,;-.69,-.34,;-1.6,-1.59,;-.83,-2.92,;.66,-3.32,;.26,-4.81,;-1.22,-4.41,;-.64,-6.06,;.26,-7.3,;1.73,-6.83,;1.73,-5.29,;3.06,-7.6,;3.06,-9.14,;4.39,-6.83,;5.73,-7.6,;-3.06,-1.11,;-4.39,-1.88,;-3.06,.43,;-4.39,1.2,;-4.39,2.74,;-5.73,.43,)|
CCOc1ccc(cc1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O |r,wU:12.12,14.17,wD:14.21,(1.22,8.94,;.82,7.45,;-.67,7.05,;-1.07,5.56,;.02,4.47,;-.38,2.99,;-1.86,2.59,;-2.95,3.68,;-2.55,5.16,;-2.26,1.1,;-1.36,-.15,;-2.26,-1.39,;-1.49,-2.72,;-.01,-3.12,;-.4,-4.61,;-1.89,-4.21,;-1.31,-5.86,;-.4,-7.1,;1.06,-6.63,;1.06,-5.09,;2.39,-7.4,;2.39,-8.94,;3.73,-6.63,;5.06,-5.86,;6.4,-5.09,;-3.73,-.92,;-5.06,-1.69,;-3.73,.62,;-5.06,1.39,;-5.06,2.93,;-6.4,.62,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(OC(C)C)cc2)C1 |r,wU:10.12,8.7,wD:8.33,(6.4,-5.09,;5.06,-5.86,;3.73,-6.63,;2.39,-7.4,;2.39,-8.94,;1.06,-6.63,;-.4,-7.1,;-1.31,-5.86,;-.4,-4.61,;-.01,-3.12,;-1.49,-2.72,;-1.89,-4.21,;-2.26,-1.39,;-1.36,-.15,;-2.26,1.1,;-3.73,.62,;-5.06,1.39,;-5.06,2.93,;-6.4,.62,;-3.73,-.92,;-5.06,-1.69,;-1.86,2.59,;-.38,2.99,;.02,4.47,;-1.07,5.56,;-.67,7.05,;.82,7.45,;1.22,8.94,;1.91,6.36,;-2.55,5.16,;-2.95,3.68,;1.06,-5.09,)|
COC(=O)c1ccc(Nc2nc(nnc2C(N)=O)N2CCC[C@H](C2)NC(=O)OC(C)(C)C)cc1 |r|
CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
CN([C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1)C(=O)c1ccc(cc1)C(C)(C)C |r|
Cc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1ccccc1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1ccc(cc1)C(F)(F)F |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1ccc(cc1)C#N |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1ccc(Cl)cc1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1ccc(F)cc1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1ccc(cc1)C1CC1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1ccccn1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1cccnc1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1ccncc1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1ncccn1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1nccs1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1ccc(Cl)s1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1cnc2ccccc2c1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1ccc2nccn2c1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1ccn2ccnc2c1 |r|
CCC(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)C=C |r|
CC#CC(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
CC(C)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)C1CC1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)C1CCC1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)CC#N |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)C1(CC1)C#N |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)C1CCCC1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)C1CCCCC1 |r|
CN1CCC(CC1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)C1CCN(CC1)C1CC1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)C1CCN(CC1)C1CCCC1 |r|
CC(=O)N1CCC(CC1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)N1CCCC1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)N1CCCCC1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)N1CCC(CC1)N1CCCCC1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)N1CCOCC1 |r|
CN(C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1)c1ccccc1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NS(=O)(=O)C1CC1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NS(=O)(=O)c1ccccc1 |r|
CC(C)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC1CCCC1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)N1CCCC1=O |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)Oc1nccc2ccccc12 |r|
CC(C)OC(=O)NN([C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1)C(=O)OC(C)C |r|
CC(C)(C)OC(=O)N1CCC[C@H](C1)n1ccc2cc(cc(F)c2c1=O)C1CC1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)Oc1nccc2cc(cc(F)c12)C1CC1 |r|
CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CC[C@H](C1)NC(=O)c1ccccc1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CC[C@H](C1)NC(=O)C(F)(F)F |r|
CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2cncc(F)c2)n1 |r|
Cc1ccc(Nc2nc(nnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(cc2)C(C)(C)C)cc1 |r|
Cc1cccc(Nc2nc(nnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(cc2)C(C)(C)C)c1 |r|
CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)S(C)(=O)=O)n1 |r|
CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)-c2ncccn2)n1 |r|
CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2cccc(c2)-c2ncccn2)n1 |r|
CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)-c2ncco2)n1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)-c1ncco1)N1CCC[C@H](C1)NC(=O)N1CCOCC1 |r|
CC(C)(C)OC(=O)N1CCC[C@H](C1)Nc1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
NC(=O)c1nnc(N[C@@H]2CCCNC2)nc1Nc1ccc(cc1)C(=O)N1CCOCC1 |r|
CC(C)(C)c1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
CCC(=O)N1CCC[C@H](C1)Nc1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
NC(=O)c1nnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)nc1Nc1ccc(cc1)C(=O)N1CCOCC1 |r|
NC(=O)c1nnc(N[C@@H]2CCCN(C2)C(=O)C=C)nc1Nc1ccc(cc1)C(=O)N1CCOCC1 |r|
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)Nc1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
CN(C\C=C\C(=O)N1CCC[C@H](C1)Nc1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1)C1CC1 |r|
CC(C)(C)OC(=O)N1CC[C@H](C1)Nc1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
NC(=O)c1nnc(N[C@@H]2CCNC2)nc1Nc1ccc(cc1)C(=O)N1CCOCC1 |r|
NC(=O)c1nnc(N[C@@H]2CCN(C2)C(=O)C=C)nc1Nc1ccc(cc1)C(=O)N1CCOCC1 |r|
CN(C\C=C\C(=O)N1CC[C@H](C1)Nc1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1)C1CC1 |r|
CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
CN([C@@H]1CCCN(C1)C(=O)C=C)c1cnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)N(C)c1cnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)c1 |r|
Cc1cc(Nc2cc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(cc2)C(C)(C)C)sn1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)Nc1ccccc1 |r|
CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCCN(C2)c2nnc(C(N)=O)c(Nc3ccc(cc3)C(=O)N3CCOCC3)n2)cc1 |r|
COc1ccc(NC(=O)N[C@@H]2CCCN(C2)c2nnc(C(N)=O)c(Nc3ccc(cc3)C(=O)N3CCOCC3)n2)cc1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
CC(C)C1CCN(CC1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)C(=O)N1CCCCC1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1ccc2ccccc2n1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1ccc2ncccc2c1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1ccc(OCC(F)(F)F)cc1 |r|
Cc1ccc(s1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
CCOc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
CCCOc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
CC(C)Oc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
Cc1cc(no1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
Cc1cnc(s1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
Cc1ncc(s1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1nc2ccccc2s1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1cc(on1)C1CC1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1nc2ccccc2o1 |r|
Cc1csc(n1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
CCN(CC)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
CCn1nnc2cc(ccc12)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
CC(C)n1nnc2cc(ccc12)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCCN(C2)c2nnc(C(N)=O)c(Nc3ccc(cc3)C(=O)N3CCOCC3)n2)cc1
CCCn1nnc2cc(ccc12)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
COC(=O)c1ccccc1CN[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
CC#CC(=O)N1CCC[C@H](C1)Nc1nnc(C(N)=O)c(Nc2ccc(cc2)S(C)(=O)=O)n1 |r|
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)Nc1nnc(C(N)=O)c(Nc2ccc(cc2)S(C)(=O)=O)n1 |r|
CN(C\C=C\C(=O)N1CCC[C@H](C1)Nc1nnc(C(N)=O)c(Nc2ccc(cc2)S(C)(=O)=O)n1)C1CC1 |r|
NC(=O)c1nnc(nc1Nc1cnc2ccccc2c1)N1CCC[C@H](C1)NC(=O)N1CCCCC1 |r|
NC(=O)c1nnc(nc1Nc1ccc2cccnc2c1)N1CCC[C@H](C1)NC(=O)N1CCCCC1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C#N)c(Cl)n1 |r|
CCOc1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(OC)cc2)cc1 |r|
COCCOc1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(OC)cc2)cc1 |r|
CCOCCOc1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(OC)cc2)cc1 |r|
CCOc1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(OC)cc2)cn1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(OCCN(C)C)cc2)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(OCC[N+](C)(C)[O-])cc2)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)S(C)(=O)=O)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N(C)C)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2cc(C)ns2)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc3ncccc3c2)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc3ncsc3c2)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCOCC2)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)N2CCOCC2)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(nc2)N2CCOCC2)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(N3CCOCC3)c(F)c2)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)N2CCOCC2=O)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)-n2ccccc2=O)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)N2CCCCC2=O)n1 |r|
CN1CCN(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(cc2)C(C)(C)C)cc1 |r|
CN1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(cc2)C(C)(C)C)cc1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(C)CC2)n1 |r|
CCN1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(OC)cc2)cc1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CC2)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C(=O)OC(C)(C)C)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(C[N+]#[C-])CC2)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC(F)(F)F)CC2)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C=O)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C(C)=O)n1 |r|
CCC(=O)N1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(OC)cc2)cc1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C(=O)CC#N)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C(=O)N(C)C)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)S(C)(=O)=O)n1 |r|
CCOC(=O)C1CCN(CC1)c1ccc(Nc2nc(cnc2C#N)N2CCC[C@H](C2)NC(=O)c2ccc(OC)cc2)cc1 |r|
CS(=O)(=O)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N2CCCCC2)cc1 |r|
CN1CCN(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N2CCCCC2)cc1 |r|
CN1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N2CCCCC2)cc1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C=O)N1CCC[C@H](C1)NC(=O)N1CCCCC1 |r|
CCC(=O)N1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N2CCCCC2)cc1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C(=O)CC#N)N1CCC[C@H](C1)NC(=O)N1CCCCC1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)S(C)(=O)=O)n1 |r|
CCC(=O)N1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N(C)C)cc1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C(=O)CC#N)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCNCC2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|
CN(C\C=C\C(=O)N1CCC[C@H](C1)N(C)c1cnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1)C1CC1 |r|
CC#CC(=O)N1CCC[C@H](C1)N(C)c1cnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)N(C)c1cnc(C(N)=O)c(Nc2ccc(Oc3ccccc3)cc2)n1 |r|
CCOc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)[N+]#[C-])n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C(C)C)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)N2CCS(=O)(=O)CC2)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2F)C2CCN(CC2)C(=O)OC(C)(C)C)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(C3CCNCC3)c(F)c2)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)N2CCCCC2)n1 |r|
CN1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)OC(C)(C)C)cc1 |r|
CCN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(C)CC2)n1 |r|
CCN(CC)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(C)CC2)n1 |r|
CN1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(F)cc2)cc1 |r|
CCOc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(C)CC2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C(=O)N(C)C)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C(=O)C2CC2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)S(C)(=O)=O)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)S(=O)(=O)N(C)C)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)c2ccccn2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCC2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCOCC2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CCOCCO)CC2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2COC2)n1 |r|
CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)c1cnc(C#N)c(Cl)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccccc2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
COc1cc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N(C)C)ccc1Cl |r|
COc1cc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N(C)C)ccc1C |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(F)c(C)n2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccn(C)c(=O)c2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(=O)n(C)c2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2cc(C)ns2)n1 |r|
CC(C)Oc1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N(C)C)cc1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(OC3CCCC3)cc2)n1 |r|
COCCOc1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N(C)C)cc1 |r|
CN(C)CCOc1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N(C)C)cc1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)[N+]([O-])=O)n1 |r|
CN(C)Cc1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N(C)C)cc1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N(C)C)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCCC2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C(=O)Nc2ccccn2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C(C)(C)[N+]#[C-])n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C(C)(C)C(N)=O)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CC2)[N+]#[C-])n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CC2)C(N)=O)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CN)CC2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CC2)C(=O)N(C)C)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CCCC2)[N+]#[C-])n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CN)CCCC2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)N2CCS(=O)(=O)CC2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CC2)n1 |r|
CCN1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N(C)C)cc1 |r|
CC(C)N1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N(C)C)cc1 |r|
CC(C)[N+]4([O-])CCC(c3ccc(Nc2nc(N1CCC[C@@H](NC(=O)N(C)C)C1)cnc2C(N)=O)cc3)CC4
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCCC2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)c2ccccc2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCCCC2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2Cl)C2CCNCC2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)N2CCN(CC2)C2CC2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)N2CCN(CC2)C2CCCC2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2cnn(c2)C2CC2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2cnn(c2)C2CCCC2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2cnn(c2)C2CCN(CC2)C(=O)OC(C)(C)C)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2cnn(c2)C2CCN(CC2)C(=O)C2CC2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2cnn(c2)C2CN(C2)C2CCCC2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C#N)c(Nc2ccc(cc2)C2(C)CCN(CC2)C(=O)OC(C)(C)C)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(C)CCN(CC2)C2CCCC2)n1 |r|
CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(C)CCN(CC2)C(=O)N(C)C)n1 |r|
CCC(=O)N1CCC(C)(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N(C)C)cc1 |r|
CN(C)C(=O)N(C)[C@@H]1CCCN(C1)c1cnc(C#N)c(Nc2ccc(cc2)C2CCN(CC2)C(=O)OC(C)(C)C)n1 |r|
CN(C)C(=O)N(C)[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C(=O)N(C)C)n1 |r|
CCC(=O)N1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)N(C)C(=O)N(C)C)cc1 |r|
CN(C)C(=O)N(C)[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)S(C)(=O)=O)n1 |r|
CN(C)C(=O)N(C)[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)N2CCS(=O)(=O)CC2)n1 |r|
CON(C)C(=O)[C@@H](CCCNCC(=O)c1ccccc1)NC(=O)OC(C)(C)C |r|
C[C@H]1[C@H](N)CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|
C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1)NC(=O)N(C)C |r|
C[C@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1)NC(=O)N(C)C |r|
C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1)NC(=O)c1ccccc1 |r|
C[C@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1)NC(=O)c1ccccc1 |r|
CC[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCC2)n1)NC(=O)N(C)C |r|
C[C@@H]1[C@@H](CCCN1c1cnc(C#N)c(Cl)n1)NC(=O)N(C)C |r|
C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCC2)n1)NC(=O)N(C)C |r|
C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CC2)C(F)(F)F)n1)NC(=O)N(C)C |r|
C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CC2)C#N)n1)NC(=O)N(C)C |r|
C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CC2)C(N)=O)n1)NC(=O)N(C)C |r|
C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2cc(C)ns2)n1)NC(=O)N(C)C |r|
CC(C)Oc1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@@H](NC(=O)N(C)C)[C@H]2C)cc1 |r|
C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)S(C)(=O)=O)n1)NC(=O)N(C)C |r|
C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(C)CCN(CC2)C(=O)OC(C)(C)C)n1)NC(=O)N(C)C |r|
C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(C)CCN(CC2)C2CCC2)n1)NC(=O)N(C)C |r|
C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(C)CCN(CC2)C2CC2)n1)NC(=O)N(C)C |r|
C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CCCC2)C#N)n1)NC(=O)N(C)C |r|
C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CCCC2)C(N)=O)n1)NC(=O)N(C)C |r|
C[C@@H]1[C@@H](CCCN1c1cnc(C#N)c(Nc2ccc(cc2)C2(CCN(CC2)C2CCCC2)C#N)n1)NC(=O)N(C)C |r|
C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CCN(CC2)C2CCCC2)C(N)=O)n1)NC(=O)N(C)C |r|
C[C@@H]1[C@@H](CCCN1c1cnc(C#N)c(Nc2ccc(cc2)C2(C)CCN(CC2)C(=O)OC(C)(C)C)n1)N1CCN(C)C1=O |r|
C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(C)CCN(CC2)C2CCCC2)n1)N1CCN(C)C1=O |r|
C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(C)CCN(CC2)C2CCC2)n1)N1CCN(C)C1=O |r|
CCC(=O)N1CCC(C)(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H]([C@H]2C)N2CCN(C)C2=O)cc1 |r|
CN1CCN(C1=O)[C@@H]2CCCN(C2)c3cnc(c(n3)Nc4ccc(cc4)C5CCNCC5)C(=O)N
CCN1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)N2CCN(C)C2=O)cc1 |r|
CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3CCN(CC3)C3CCC3)n2)C1=O |r|
CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3CCN(CC3)C3CC3)n2)C1=O |r|
CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3CCS(=O)(=O)CC3)n2)C1=O |r|
CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccccc3)n2)C1=O |r|
CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(CC3)C(F)(F)F)n2)C1=O |r|
CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(C)CCN(CC3)C3CC3)n2)C1=O |r|
CC(C)N1CCC(C)(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)N2CCN(C)C2=O)cc1 |r|
CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(C)CCN(CC3)C3COC3)n2)C1=O |r|
CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(C)CCN(CC3)C3CCC3)n2)C1=O |r|
CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(C)CCN(CC3)C3CCCC3)n2)C1=O |r|
CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(C)CCN(CC3)C=O)n2)C1=O |r|
CCC(=O)N1CCC(C)(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)N2CCN(C)C2=O)cc1 |r|
CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(C)CCN(CC3)C(=O)C3CC3)n2)C1=O |r|
CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(CCN(CC3)C3CCCC3)C#N)n2)C1=O |r|
CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(CCN(CC3)C3CCCC3)C(N)=O)n2)C1=O |r|
CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(CCN(CC3)C3CCC3)C#N)n2)C1=O |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)N1CCNC1=O |r|
CCN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3CCN(CC3)C3CCCC3)n2)C1=O |r|
CCN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(C)CCN(CC3)C3CC3)n2)C1=O |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)N1CCN(C2CC2)C1=O |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCC1)N1CCC[C@H](C1)N1CCN(C2CC2)C1=O |r|
CC1(CCN(CC1)C1CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)N2CCN(C3CC3)C2=O)cc1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)N1CCN(C1=O)c1cccc(Cl)c1 |r|
C[C@@H]1[C@@H](CCCN1c1cnc(C#N)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1)N1CCCN(C)C1=O |r|
CN1CCCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3CCN(CC3)C3CCCC3)n2)C1=O |r|
CN1CCCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(C)CCN(CC3)C3CCCC3)n2)C1=O |r|
CN1CCCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3CCN(CC3)C3CC3)n2)C1=O |r|
CN1CCCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(C)CCN(CC3)C3CC3)n2)C1=O |r|
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|
CN(C)C(=O)N1CC[C@@H]2[C@H]1CCCN2c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@@H]2[C@H]1CCN2C(=O)C1CC1 |r|
CN(C)C(=O)N1CCC[C@@H]2[C@H]1CCCN2c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|
C[C@@H]1CCN(C[C@@H]1NC(=O)N(C)C)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CC[C@H]2CCN[C@H]2C1 |r|
CN(C)C(=O)N1CC[C@@H]2CCN(C[C@H]12)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CC[C@H]2CCN([C@H]2C1)C(=O)C1CC1 |r|
N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)NC=O |r|
CCC(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|
CCN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|
CCOC(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)NC(=O)C1CC1 |r|
CS(=O)(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|
CCS(=O)(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|
CN(C)S(=O)(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)NC(=O)c1ccccc1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)NC(=O)c1cccnc1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)NC(=O)c1cncc(F)c1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)NC(=O)CCCBr |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)N1Cc2ccccc2C1=O |r|
N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CC2)n1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CC1)N1CCC[C@H](C1)NC(=O)C1CC2(CCC2)C1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CC1)N1CCC[C@H](C1)NC(=O)C1CCCC1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CC1)N1CCC[C@H](C1)NC(=O)c1ccc(Cl)cc1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CC1)N1CCC[C@H](C1)NC(=O)c1cccc(Cl)c1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CC1)N1CCC[C@H](C1)NC(=O)c1cncc(Cl)c1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CC1)N1CCC[C@H](C1)NC(=O)c1ccc(Cl)s1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CC1)N1CCC[C@H](C1)NC(=O)c1cc2ccccc2s1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CC1)N1CCC[C@H](C1)NC(=O)c1cc2CCCCc2s1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CC1)N1CCC[C@H](C1)NC(=O)c1ccc2ccccc2c1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CC1)N1CCC[C@H](C1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CC1)N1CCC[C@H](C1)NC(=O)c1ccc(nc1)-c1ccccc1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)NC(=O)c1ccc(F)cc1 |r|
CN([C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccccc2)n1)C(=O)c1ccccc1 |r|
CN(C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(F)cc2)n1)c1cc(Cl)cc(c1)C(F)(F)F |r|
CN(C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CC2)C#N)n1)c1cc(Cl)cc(c1)C(F)(F)F |r|
CN(C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CC2)C(N)=O)n1)c1cc(Cl)cc(c1)C(F)(F)F |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCOCC1)N1CCC[C@H](C1)NC(=O)c1cc(O)c2nccn2c1 |r|
CN(C)C(=O)N[C@@H]1CCCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCCC[C@H](C1)NC(=O)C1CC1 |r|
CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|
CCC(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)N2CCN(CC2)C2CCCC2)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)N2CCC(CC2)C(=O)N(C)C)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C(=O)OC(C)(C)C)n1 |r|
COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C1CCNCC1)N1CCC[C@H](C1)NC(=O)N1CCCCC1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)NC(=O)N1CCCCC1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C1CCN(CC1)C=O)N1CCC[C@H](C1)NC(=O)N1CCCCC1 |r|
CC(=O)N1CCC(CC1)c1ccc(Nc2nc(nnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N2CCCCC2)cc1 |r|
CCC(=O)N1CCC(CC1)c1ccc(Nc2nc(nnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N2CCCCC2)cc1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C1CCN(CC1)C(=O)C=C)N1CCC[C@H](C1)NC(=O)N1CCCCC1 |r|
NC(=O)c1nnc(nc1Nc1ccc(cc1)C1CCN(CC1)C(=O)CC#N)N1CCC[C@H](C1)NC(=O)N1CCCCC1 |r|
CCOc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=N)N(C)C)n1 |r|
CCOc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=N)N2CCCC2)n1 |r|
CCOc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C2=NCCN2C)n1 |r,t:36|
CC#CC(=O)N1CC[C@H](C1)Nc1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
COCCOc1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N[C@@H](C)c2ccccc2)cc1 |r|
COCCOc1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N[C@H](C)c2ccccc2)cc1 |r|
CN(C)C(=O)N1CCCC[C@H](C1)Nc1cnc(C(N)=O)c(Nc2cc(C)ns2)n1 |r|
CC1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1)NC(=O)C1CC1 |r|
CN(C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(NC2CC2)n1)c1ccccc1 |r|
CN(C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(NC2CCCC2)n1)c1ccccc1 |r|
CN(C(=O)N[C@@H]1CCCN(C1)c1cnc(C#N)c(NC2CC2)n1)c1cc(Cl)cc(c1)C(F)(F)F |r|
CN(C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(NC2CCOCC2)n1)c1cc(Cl)cc(c1)C(F)(F)F |r|
NC(=O)c1ncc(nc1NC1CCOCC1)N1CCC[C@H](C1)NC(=O)NC1CCOCC1 |r|
CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12
C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12
CC(C)OC(=O)Nc1cnc2[nH]cc(-c3cccc(NC(=O)C=C)c3)c2c1
CCC(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12
CC(C)OC(=O)Nc1cnc2[nH]cc(-c3cccc(NC(=O)\C=C\CN(C)C)c3)c2c1
CC(C)OC(=O)Nc1cnc2[nH]cc(-c3cccc(c3)N(C)C(=O)C=C)c2c1
COCCC(=O)N(C)c1cccc(c1)-c1c[nH]c2ncc(NC(=O)OC(C)C)cc12
CCC(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OC(C)C)cc12
FC(F)(F)C(=C)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12
CC(C)(C)C(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12
CCC(C)C(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12
CC(C)CC(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12
O=C(Nc1cnc2[nH]cc(-c3cccc(NC(=O)C(=O)c4ccccc4)c3)c2c1)OCc1ccccc1
CC(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3ccccc3Cl)cc12
CCC(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3ccccc3Cl)cc12
CCC(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3cccc(F)c3)cc12
CC(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3cccc(F)c3)cc12
Fc1cccc(COC(=O)Nc2cnc3[nH]cc(-c4cccc(NC(=O)C(=C)C(F)(F)F)c4)c3c2)c1
CCC(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3cccc(c3)C#N)cc12
CC(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3cccc(c3)C#N)cc12
O=C(Nc1cnc2[nH]cc(-c3cccc(NC(=O)C4(CC4)C#N)c3)c2c1)OCc1ccccc1
CC(C)OC(=O)Nc1cnc2[nH]cc(-c3cccc(NC(=O)CC#N)c3)c2c1
CN(C)C\C=C\C(=O)Nc1ccccc1-c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12
CC(=O)C(=O)N1CCC(=CC1)c1c[nH]c2ncc(NC(=O)OCc3ccccc3Cl)cc12 |c:8|
CCC(=O)C(=O)N1CCC(=CC1)c1c[nH]c2ncc(NC(=O)OCc3ccccc3Cl)cc12 |c:9|
CCC(=O)C(=O)N1CCC(=CC1)c1c[nH]c2ncc(NC(=O)OCc3cccc(F)c3)cc12 |c:9|
CCC(=O)C(=O)N1CCC(=CC1)c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12 |c:9|
CC(=O)C(=O)N1CCC(=CC1)c1c[nH]c2ncc(NC(=O)OCc3cccc(F)c3)cc12 |c:8|
CC(=O)C(=O)N1CCC(=CC1)c1c[nH]c2ncc(NC(=O)OCc3cccc(c3)C#N)cc12 |c:8|
C=CC(=O)N1CCC(=CC1)c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12 |c:7|
C=CC(=O)N1CCC(CC1)c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12
CC(C)OC(=O)Nc1cnc2[nH]cc(C3CCN(CC3)C(=O)C=C)c2c1
C=CC(=O)N1CCCC(=C1)c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12 |c:8|
OC1(CN(C1)C(=O)C=C)c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12
Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(Br)cccc3[nH]2)c1N
Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(cccc3[nH]2)-c2ccccc2)c1N
Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(cccc3[nH]2)-c2ccsc2)c1N
Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(cccc3[nH]2)-n2cccn2)c1N
Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(cccc3[nH]2)-c2cccs2)c1N
Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(cccc3[nH]2)C(=O)N2CCOCC2)c1N
Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(cccc3[nH]2)-c2cnn(C)c2)c1N
Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(cccc3[nH]2)-c2ccccn2)c1N
Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(Cc4ccccc4)cccc3[nH]2)c1N
Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(cccc3[nH]2)-c2cn[nH]c2)c1N
Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(cccc3[nH]2)-c2cccc(c2)C#N)c1N
Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(cccc3[nH]2)-c2cccc(Cl)c2)c1N
Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(Cc4cccc(c4)C#N)cccc3[nH]2)c1N
Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2cc3c(cccc3[nH]2)-c2cn[nH]c2)c1N
Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2cc3c(cccc3[nH]2)C(=O)N2CCOCC2)c1N
CN1CCN(CC1)C(=O)c1cccc2[nH]c(cc12)C(=O)c1cnn(c1N)-c1ccc(Oc2cccc(c2)C#N)cc1C
COc1cccc(Cc2cccc3[nH]c(cc23)C(=O)c2cnn(c2N)-c2ccc(Oc3cccc(c3)C#N)cc2C)c1
Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(CN4CCOCC4)cccc3[nH]2)c1N
Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2cc3c(CC#N)cccc3[nH]2)c1N
CNC(=O)c1cccc2[nH]c(cc12)C(=O)c1cnn(c1N)-c1ccc(Oc2cccc(c2)C#N)cc1C
CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cn1
CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)c(F)c1
OCCN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
CN1CCC(Oc2ccc(Nc3ncc4cccc(-c5cccc(NC(=O)C=C)c5)c4n3)cc2)C(F)C1
CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1C(N)=O
OCCN1CC(C1)Nc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
CN1CCC(Nc2ccc(Nc3ncc4cccc(-c5cccc(NC(=O)C=C)c5)c4n3)cc2)C(F)C1
CN1CCN(C(=O)C1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COCCOc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
OCCOc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
OCCN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)c(F)c1
OCCN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)c(F)c1F
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCC[C@@H](O)C1
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@H]1CC[C@@H](O)CC1
Nc1ncnc2c1c(-c1ccc(Oc3cccc(F)c3)cc1)nn2[C@@H]1CCC[C@@H](O)C1
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1F)nn2[C@@H]1CCC[C@@H](O)C1
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3F)cc1)nn2[C@@H]1CCC[C@@H](O)C1
Nc1ncnc2c1c(-c1ccc(Oc3c(F)cccc3F)cc1)nn2[C@@H]1CCC[C@@H](O)C1
COc1cccc(Oc2ccc(-c3nn([C@@H]4CCC[C@@H](O)C4)c4ncnc(N)c34)cc2)c1F
COc1cccc(Oc2ccc(-c3nn([C@H]4CC[C@@H](O)CC4)c4ncnc(N)c34)cc2)c1F
COc1cccc(Oc2ccc(-c3nn([C@H]4CC[C@H](O)CC4)c4ncnc(N)c34)cc2)c1F
COc1cccc(Oc2ccc(-c3nn(C4CCC(O)C4)c4ncnc(N)c34)cc2)c1F
COc1cccc(Oc2ccc(-c3nn(C4CCC(O)C4)c4ncnc(N)c34)cc2)c1F
Nc1ncnc2c1c(-c1ccc(Oc3cccc(F)c3)cc1)nn2C1CCC(O)C1
COc1cccc(Oc2ccc(-c3nn(C4CCC(O)C(O)C4)c4ncnc(N)c34)cc2)c1F
COc1cccc(Oc2ccc(-c3nn(C4CCCCC4)c4ncnc(N)c34)cc2)c1F
COc1cccc(Oc2ccc(-c3nn([C@@H]4CC[C@H](CO)OC4)c4ncnc(N)c34)cc2)c1F
COc1cccc(Oc2ccc(-c3nn([C@@H]4CC[C@@H](CO)OC4)c4ncnc(N)c34)cc2)c1F
COc1cccc(Oc2ccc(-c3nn([C@H]4CC[C@H](CO)OC4)c4ncnc(N)c34)cc2)c1F
COc1cccc(Oc2ccc(-c3nn([C@H]4CC[C@@H](CO)OC4)c4ncnc(N)c34)cc2)c1F
COc1cccc(Oc2ccc(-c3nn([C@H]4CCC[C@H](O)C4)c4ncnc(N)c34)cc2)c1F
Nc1ncnc2c1c(-c1ccc(Oc3cccc(O)c3F)cc1)nn2[C@@H]1CCC[C@@H](O)C1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CNCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)S(C)(=O)=O)NC(=O)c2noc(n2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CC(O)C2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |(9.26,-11.9,;7.72,-11.9,;6.81,-13.15,;5.35,-12.67,;4.02,-13.44,;2.68,-12.67,;1.35,-13.44,;.01,-12.67,;.01,-11.13,;1.35,-10.36,;2.68,-11.13,;1.35,-8.82,;2.68,-8.05,;2.68,-6.51,;1.35,-5.74,;1.34,-4.22,;.43,-3.23,;-1.1,-3.35,;-1.87,-4.48,;-1.42,-5.95,;.01,-6.51,;.01,-8.05,;-3.4,-4.25,;-4.26,-2.97,;-5.53,-3.83,;-7.05,-3.53,;-4.67,-5.11,;2.67,-3.45,;4,-4.22,;4,-5.76,;5.34,-3.45,;5.34,-1.91,;6.8,-1.43,;7.71,-2.68,;6.8,-3.92,;9.19,-3.08,;9.59,-4.56,;8.42,-1.74,;9.96,-1.74,;5.35,-11.13,;6.81,-10.65,)|
CCn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOCC2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Cc1c(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CCO)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cnn1C |r|
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOC2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOCC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)S(C)(=O)=O)NC(=O)c2nnc(o2)C(C)(C)C)cn1
CC(C)n1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
CC(C)n1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
C[C@H](O)CN1CC[C@@H](NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
CCn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
CC(C)n1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@@H]2CCOC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@H]2CCOC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
C[C@@H](O)CN1CC[C@@H](NC(=O)c2cn(nn2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
C[C@H](O)CN1CC[C@@H](NC(=O)c2cn(nn2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
COCCN1CC[C@@H](NC(=O)c2cn(nn2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(F)F)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2noc(n2)C2(C)CC2)cn1 |r|
Cn1cc(Nc2cc(ccn2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2nc(no2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCOc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCOc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2cc3CCCCC(NC(=O)c4nnc(o4)C(C)(C)C)c3cn2)cn1
Cn1cc(Nc2nccc(n2)-c2cc3CCCC[C@@H](NC(=O)c4noc(n4)C(C)(C)C)c3cn2)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CNCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CC(F)(F)F)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1
CN(C)CC(=O)N1CCC(NC(=O)c2noc(n2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C(F)F)cn1 |r|
C[C@H](O)CN1CCC(NC(=O)c2nnc(o2)C(C)(C)C(F)F)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CC(O)C2)NC(=O)c2nc(no2)C(C)(C)C)cn1 |(7.73,-4.39,;6.19,-4.39,;5.28,-5.64,;3.82,-5.16,;2.48,-5.93,;1.15,-5.16,;-.18,-5.93,;-1.52,-5.16,;-1.52,-3.62,;-.18,-2.85,;1.15,-3.62,;-.18,-1.31,;1.15,-.54,;1.15,1,;-.18,1.77,;-.18,3.31,;-1.38,4.26,;-2.88,3.91,;-3.54,2.52,;-2.88,1.13,;-1.52,1,;-1.52,-.54,;-5.02,2.92,;-5.79,4.25,;-7.13,3.48,;-8.62,3.88,;-6.36,2.15,;1.15,4.08,;2.48,3.31,;2.48,1.77,;3.94,3.83,;5.4,3.35,;6.31,4.6,;5.4,5.84,;3.94,5.37,;7.85,4.6,;8.62,5.93,;8.62,3.26,;7.08,5.93,;3.82,-3.62,;5.28,-3.14,)|
CCN1CCC(NC(=O)c2cn(nn2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CC(O)C2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |(7.22,-3.73,;5.68,-3.73,;4.78,-4.98,;3.31,-4.5,;1.98,-5.27,;.65,-4.5,;-.69,-5.27,;-2.02,-4.5,;-2.02,-2.96,;-.69,-2.19,;.65,-2.96,;-.69,-.65,;.65,.12,;.65,1.66,;-.69,2.43,;-.46,3.95,;-1.51,5.08,;-3.04,4.96,;-3.91,3.69,;-3.45,2.22,;-2.02,1.66,;-2.02,.12,;-5.43,3.92,;-6.29,5.2,;-7.57,4.33,;-9.08,4.63,;-6.71,3.06,;1.01,4.4,;2.14,3.36,;1.8,1.85,;3.61,3.81,;4.86,2.9,;6.11,3.81,;5.63,5.27,;4.09,5.27,;7.59,3.41,;8.68,4.5,;7.99,1.92,;9.08,3.01,;3.31,-2.96,;4.78,-2.49,)|
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CC(F)(F)F)Cc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
C[C@@H](O)CN1CCC(NC(=O)c2cn(nn2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
C[C@@H](O)CN1CCC(NC(=O)c2noc(n2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
COCCN1CCC(NC(=O)c2noc(n2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CC(O)C2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |(7.77,-4.52,;6.23,-4.52,;5.32,-5.76,;3.86,-5.29,;2.52,-6.06,;1.19,-5.29,;-.14,-6.06,;-1.48,-5.29,;-1.48,-3.75,;-.14,-2.98,;1.19,-3.75,;-.14,-1.44,;1.19,-.67,;1.19,.87,;-.14,1.64,;-.14,3.18,;-.96,4.29,;-2.5,4.18,;-3.36,2.91,;-2.91,1.44,;-1.48,.87,;-1.48,-.67,;-4.89,3.14,;-5.75,4.41,;-7.03,3.55,;-8.54,3.85,;-6.16,2.28,;1.19,3.95,;2.52,3.18,;2.52,1.64,;3.86,3.95,;3.86,5.49,;5.32,5.97,;6.23,4.72,;5.32,3.48,;7.77,4.72,;7,6.06,;8.54,3.39,;8.54,6.06,;3.86,-3.75,;5.32,-3.27,)|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2CC(O)C2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r,wU:15.30,(7.77,-4.52,;6.23,-4.52,;5.32,-5.76,;3.86,-5.29,;2.52,-6.06,;1.19,-5.29,;-.14,-6.06,;-1.48,-5.29,;-1.48,-3.75,;-.14,-2.98,;1.19,-3.75,;-.14,-1.44,;1.19,-.67,;1.19,.87,;-.14,1.64,;-.14,3.18,;-.96,4.29,;-2.5,4.18,;-3.36,2.91,;-2.91,1.44,;-1.48,.87,;-1.48,-.67,;-4.89,3.14,;-5.75,4.41,;-7.03,3.55,;-8.54,3.85,;-6.16,2.28,;1.19,3.95,;2.52,3.18,;2.52,1.64,;3.86,3.95,;3.86,5.49,;5.32,5.97,;6.23,4.72,;5.32,3.48,;7.77,4.72,;7,6.06,;8.54,3.39,;8.54,6.06,;3.86,-3.75,;5.32,-3.27,)|
CCN1CCC(NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
CCN1CC[C@@H](NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
C[C@H](O)CN1CCC(NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
C[C@@H](O)CN1CCC(NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CC(C)(C)O)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(C)(C)O)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CC(F)(F)F)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
CC(C)(C)c1nnc(o1)C(=O)NC1CCN(Cc2cc(ccc12)-c1ccnc(Nc2cn[nH]c2)n1)C1COC1
CC(C)(C)c1nnc(o1)C(=O)N[C@@H]1CCN(CCO)Cc2cc(ccc12)-c1ccnc(Nc2cnn3CCCc23)n1 |r|
CCn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
CCn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
CCn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
CN1CCC(NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Cc1c(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CCO)Cc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cnn1C |r|
Cc1nn(C)cc1Nc1nccc(n1)-c1ccc2[C@@H](CCN(Cc2c1)C1COC1)NC(=O)c1noc(n1)C(C)(C)C |r|
CC(C)n1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CCO)Cc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
C[C@@H](O)CN1CC[C@@H](NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC4CC4)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
CC(C)(C)c1nc(no1)C(=O)NC1CCCCc2cc(ccc12)-c1ccnc(Nc2cn[nH]c2)n1
CC(C)(C)c1nnc(o1)C(=O)NC1CCCCc2cc(ccc12)-c1ccnc(Nc2cn[nH]c2)n1
CC(C)n1ncc(n1)C(=O)NC1CCCCc2cc(ccc12)-c1ccnc(Nc2cnn(C)c2)n1
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CC[C@H](F)Cc3c2)NC(=O)c2noc(n2)C2(C)CC2)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2nnc(n2C)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2CCOC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2nnc(o2)C2(C)CC2)cn1 |r|
CCn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C2(C)CC2)cn1
CCOCCN1CC[C@@H](NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2nnc(s2)C(C)(C)C)cn1
CC(C)(C)c1nc(no1)C(=O)N[C@@H]1CCN(CCO)Cc2cc(ccc12)-c1ccnc(Nc2cnn3CCCc23)n1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCC(O)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
CC(C)(C)c1nc(no1)C(=O)N[C@@H]1CCCCc2cc(ccc12)-c1ccnc(Nc2cnn3CCCc23)n1 |r|
Cn1ncc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)c1C(F)(F)F |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CNCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3C(CN(CCO)CCc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CN(CCc3c2)S(C)(=O)=O)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CN(CCc3c2)C2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CN(CCc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CN(CC(C)(C)O)CCc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CNCCc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
CN1CCc2cc(ccc2C(C1)NC(=O)c1cn(nn1)C(C)(C)C)-c1ccnc(Nc2cnn(C)c2)n1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CN(CCO)CCc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C(F)(F)F)cn1
CN1CCC(NC(=O)c2nnc(o2)C(C)(C)C(F)(F)F)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)CF)cn1
C[C@H](O)CN1CCC(NC(=O)c2nnc(o2)C(C)(C)CF)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
CN1CCC(NC(=O)c2nnc(o2)C2CCC2)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
CN1CCC(NC(=O)c2nnc(o2)C(C)(C)C#N)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C#N)cn1
CC(C)n1cc(nn1)C(=O)NC1CCN(Cc2cc(ccc12)-c1ccnc(Nc2cnn(C)c2)n1)C1COC1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C2CCC2)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2nnc(s2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCNCc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOCC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
CC(C)(C)n1cc(nn1)C(=O)N[C@@H]1CCN(CCO)Cc2cc(ccc12)-c1ccnc(Nc2cnn3CCCc23)n1 |r|
CN1CCC(NC(=O)c2nnc(o2)C2(C)CC2)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Cc1c(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cnn1C |r|
Cc1nn(C)cc1Nc1nccc(n1)-c1ccc2[C@@H](CCN(Cc2c1)C1COC1)NC(=O)c1cn(nn1)C(C)(C)C |r|
Cc1nn(C)cc1Nc1nccc(n1)-c1ccc2[C@@H](CCN(CC(F)(F)F)Cc2c1)NC(=O)c1nnc(o1)C(C)(C)C |r|
CN1CCn2ncc(Nc3nccc(n3)-c3ccc4C(CCCCc4c3)NC(=O)c3noc(n3)C(C)(C)C)c2C1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCNCc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C2CCC2)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CN(CCc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3C(CNCCc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CN(CCc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOC2)NC(=O)c2nnc(s2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)C2COC2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCCCc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
CCN1CC[C@H](NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(CC(C)(C)O)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)[C@H]2CCOC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)[C@@H]2CCOC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
CN1CCc2cc(ccc2C(C1)NC(=O)c1nnc(o1)C(C)(C)C)-c1ccnc(Nc2cnn(C)c2)n1
Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)C2CC(O)C2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r,wD:15.30,(7.12,-4.44,;5.59,-4.28,;4.56,-5.43,;3.15,-4.8,;1.82,-5.57,;.48,-4.8,;-.85,-5.57,;-2.19,-4.8,;-2.19,-3.26,;-.85,-2.49,;.48,-3.26,;-.85,-.95,;.48,-.18,;.48,1.36,;-.85,2.13,;-.62,3.65,;-1.67,4.78,;-3.21,4.66,;-4.07,3.39,;-3.62,1.92,;-2.19,1.36,;-2.19,-.18,;-5.6,3.62,;-6.46,4.9,;-7.73,4.04,;-9.25,4.33,;-6.87,2.76,;.85,4.11,;2.34,3.71,;2.34,2.17,;3.82,4.11,;4.3,5.57,;5.84,5.57,;6.32,4.11,;5.07,3.2,;7.78,3.63,;8.92,4.66,;8.1,2.13,;9.25,3.16,;3.31,-3.27,;4.82,-2.95,)|
C[C@H](O)CN1CC[C@H](NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
CCn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)[C@@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
CCn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)[C@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12
CCC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12
Nc1nccc2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C1CC1
Nc1nccc2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C1CC1(F)F
Nc1nccc2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C1(O)CC1
Cc1noc(C)c1C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12
COCCC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12
CC1(CC1)C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12
Nc1nccc2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C1CC(F)(F)C1 |r|
Nc1nccc2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C1(CC1)C#N
COCC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12
CC(C)C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12
Nc1nccc2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C1CCC1
CC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12
COCCOCC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12
CCOCC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12
C[C@@H](O)C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12
C[C@H](O)C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12
Cn1cncc1C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12
Cc1ncn(C)c1C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12
CO[C@@H](C)C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12
CO[C@H](C)C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12
Nc1nccc2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
CC#CC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12
Nc1nccc2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCNC1
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccc(F)cc3)cc2)c2c(N)nccc12
C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nn(-c2ccc(Oc3cccc(F)c3)cc2)c2c(N)nccc12
C[C@@H](O)C(=O)N1C[C@@H](CC[C@@H]1C)c1nn(-c2ccc(Oc3cccc(F)c3)cc2)c2c(N)nccc12
CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2ccccn2)c1=O
CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2cc(C)ccn2)c1=O
CCc1ccnc(NC(=O)c2ccc(cc2)-n2c3c(N)ncnc3n(-c3cccc(c3)N(C)C(=O)\C=C\CN(C)C)c2=O)c1
CCCc1ccnc(NC(=O)c2ccc(cc2)-n2c3c(N)ncnc3n(-c3cccc(c3)N(C)C(=O)\C=C\CN(C)C)c2=O)c1
CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c1=O
CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2cccc(c2)C(F)(F)F)c1=O
CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2cccc(c2)-c2ncccn2)c1=O
CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2ncccc2F)c1=O
CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2ccc(F)cn2)c1=O
CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2cncc(F)c2)c1=O
CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2cc(C)c(F)cn2)c1=O
CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2ccc(Cl)cn2)c1=O
CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2nccs2)c1=O
CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2ncc(C)s2)c1=O
CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2nc(C)cs2)c1=O
CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2nc(C)c(C)s2)c1=O
CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2nc3CCCCc3s2)c1=O
CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2nc3ccccc3s2)c1=O
CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2nnc(C)s2)c1=O
CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2cc(C)ns2)c1=O
CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)c2ccccc2)c1=O
CN(C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)c2ccccc2)c1=O)C1CC1
CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(OC3CC3)cc2)c1=O
CN(C(=O)C=C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2ccccn2)c1=O
CN(C(=O)C=C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(OC3CC3)cc2)c1=O
CN(C(=O)CC#N)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O
CN(C(=O)C1(CC1)C#N)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O
CNC(=O)C(=C/c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O)\C#N
CN(C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)nc2)c1=O)C1CC1
CN(C(=O)\C=C\CN1CCOCC1)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O
CN(C(=O)\C=C\CN1CCCC1)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O
CN(C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cn2)c1=O)C1CC1
CN(C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(Oc3ccccn3)cn2)c1=O)C1CC1
CN(C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ncc(Oc3ccccc3)cn2)c1=O)C1CC1
Cn1nc(cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O)-c1cccc(N2CCc3cc(ccc3C2=O)C(C)(C)C#N)c1CO
Cn1nc(cc(Nc2ccc(OC(C)(C)CO)cn2)c1=O)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C(C)(C)C#N
Cn1nc(cc(Nc2ccc(cn2)S(C)(=O)=O)c1=O)-c1cccc(N2CCOc3cc(ccc3C2=O)C(C)(C)CO)c1CO
Cn1cc(cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O)-c1cccc(NC(=O)N2Cc3ccc(Cl)cc3C2)c1CO
Cn1cc(cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O)-c1cccc(N2CCc3cc(ncc3C2=O)C(C)(C)C)c1CO
Cn1nc(cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O)-c1cccc(N2CCc3cc(ncc3C2=O)C(C)(C)C)c1CO
Cc1c(cccc1-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C)-c1cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c(=O)n(C)n1
Cn1nc(cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O)-c1cccc(N2CCOc3cc(ccc3C2=O)C(C)(C)C)c1CO
Cn1nc(cc(Nc2ccc(cn2)S(C)(=O)=O)c1=O)-c1cccc(N2CCOc3cc(ccc3C2=O)C(C)(C)C)c1CO
Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)cccc2F)cc1F
Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)cccc2Cl)cc1F
Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)cc(F)cc2F)cc1F
Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1F
Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)ccc(F)c2F)cc1F
Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1F
Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2ccc(C#N)c(F)c2)cc1F
Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)ccc(Cl)c2F)cc1F
Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)ccc(F)c2Cl)cc1F
Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)cc(Cl)cc2F)cc1F
Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)c(F)cc(F)c2F)cc1F
CC(=C)C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)c(F)c2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccon2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ncccn2)c2c(N)nccn12 |r|
Cc1cc(ccc1-c1nc([C@@H]2CCCCN2C(=O)C=C)n2ccnc(N)c12)C(=O)Nc1ccccn1 |r|
COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cccnn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cccnn3)c12)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)n1 |r|
COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2C)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccncn2)c2c(N)nccn12 |r|
CCCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN4C(=O)\C=C\COC)n4ccnc(N)c34)c(C)c2)c1 |r|
COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nccc(C)n2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ncccn3)c12)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)n1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C(=C)C(F)(F)F |r|
C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1CC#N |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)\C=C\c1ccccc1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)\C=C\CC1CCCC1 |r|
COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)c1ccnc(Cl)n1 |r|
CN(C)C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccon2)c2c(N)nccn12 |r|
CN(C)CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
COCC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)c(F)c2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(OC)ccn2)c2c(N)nccn12 |r|
Cc1cc(ccc1-c1nc([C@@H]2CCCCN2C(=O)c2ccnc(Cl)n2)n2ccnc(N)c12)C(=O)Nc1ccccn1 |r|
COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(C)ccn2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(C)C)c2c(N)nccn12 |r|
CN(C)C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(C)ccn2)c2c(N)nccn12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nccs2)c2c(N)nccn12 |r|
CN(C)C\C=C\C(=O)NCc1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
CC(C)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)c1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nc4CCCCc4s3)c12)[C@@H]1CCCN1C(=O)c1ccnc(Cl)n1 |r|
CN(C)C\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cccnn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(F)ccn3)c12)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)n1 |r|
COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nc3CCCCc3s2)c2c(N)nccn12 |r|
COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@@H]2CCCN2C(=O)c2ccnc(Cl)n2)n2ccnc(N)c12 |r|
Nc1nccn2c(nc(-c3ccc(C(=O)Nc4ccccn4)c(F)c3)c12)[C@@H]1CCCN1C(=O)c1ccnc(Cl)n1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nccc(C)n2)c2c(N)nccn12 |r|
COC\C=C\C(=O)NCc1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)N2CCCC2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N1CCCCCC1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C#N)c2c(N)nccn12 |r|
COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@@H]2CCCN2C(=O)C#CC)n2ccnc(N)c12 |r|
COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)c(OC)c2)c2c(N)nccn12 |r|
CC(NC(=O)c1ccnc(Cl)n1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
CC#CC(=O)NCc1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H](C)N(C)C(=O)C#CC)n3ccnc(N)c23)c1 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2F)-c2nc([C@@H]3CCCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN1C(=O)c1ccnc(Cl)n1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C=C |r|
CN(C)C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
C/C=C/C(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5ccccn5
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(C)ccn2)c2c(N)nccn12 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nc3CCCCc3s2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(C(=O)Nc4ccccn4)c(F)c3)c12)[C@@H]1CCCN1C(=O)C=C |r|
COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@@H]2CCCN2C(=O)C=C)n2ccnc(N)c12 |r|
CN(C)C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nccs2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(F)ccn3)c12)[C@@H]1CCCCN1C(=O)C=C |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C#N)c12)[C@@H]1CCCCN1C(=O)C=C |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCCN1S(=O)(=O)C=C |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ncccn3)c12)[C@@H]1CCCCN1C(=O)C=C |r|
Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccncn2)c2c(N)nccn12 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cccnn2)c2c(N)nccn12 |r|
CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)\C=C\COC)n3ccnc(N)c23)s1 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2F)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)c1 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2OC)-c2nc([C@@H]3CCCCN3C(=O)\C=C\CN(C)C)n3ccnc(N)c23)c1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2C)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(CNC(=O)C=C)nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12
CC#CC(=O)N[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CC(=O)SCC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CC(C)(O)C#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)c1cc(Cl)ncn1 |r|
CCC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C#CC1CC1 |r|
CCCC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCCCN1C(=O)C=C
CC#CC(=O)N1CCOC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(F)ccn3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)N3CCCC3)c12)[C@@H]1CCCN1C(=O)C=C |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCCN1C(=O)C=C |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H](C)N(C)C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3S(=O)(=O)C=C)n3ccnc(N)c23)c1 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)c1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN1C(=O)C=C |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|
CC(C)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\CN(C)C)n3ccnc(N)c23)c1 |r|
Cc1cc(ccc1-c1nc([C@@H]2CCCCN2S(=O)(=O)C=C)n2ccnc(N)c12)C(=O)Nc1ccccn1 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2F)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|
COC\C=C\C(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H](C)N(C)C(=O)\C=C\CN(C)C)n3ccnc(N)c23)c1 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\CN3CCCC3)n3ccnc(N)c23)c1 |r|
CN(C)C\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)c1 |r|
CC(NC(=O)C=C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccs3)c12)[C@@H]1CCCN1C(=O)C=C |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(C)C)c2c(N)nccn12 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)c1 |r|
COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCCN1C(=O)C=C |r|
CCCc1ccnc(NC(=O)c2ccc(cc2OC)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2OC)-c2nc([C@@H]3CCCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)n1 |r|
CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(N)c23)s1 |r|
CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)s1 |r|
CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)s1 |r|
COC\C=C\C(=O)N1CCOC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C#N)c12)[C@@H]1CCCN1C(=O)C=C |r|
COc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|
Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccnc(N)c23)c1 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccnc(N)c23)c1 |r|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccnc(N)c23)c1 |r|
COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)c1 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C#N)c2c(N)nccn12 |r|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)-c2ccccc2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)-c3ccccc3)c12)[C@@H]1CCCN1C(=O)C=C |r|
O=C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)c1ccccc1
Clc1ccc(cc1)C(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Clc1cccc(c1)C(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Clc1ccccc1C(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
COc1ccccc1C(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
COc1cccc(c1)C(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
COc1ccc(cc1)C(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(Cc1ccccc1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Clc1cccc(Cl)c1C(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)c1ccncc1
O=C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)c1cccnc1
O=C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)c1ccccn1
O=C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)c1ccc[nH]1
Oc1cccc(c1)C(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(Nc1ccccc1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(CNc1ccccc1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O[C@H](C(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)c1ccccc1 |r|
O[C@@H](C(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)c1ccccc1 |r|
N[C@H](C(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)c1ccccc1 |r|
N[C@@H](C(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)c1ccccc1 |r|
O=C(COc1ccccc1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(CCc1ccccc1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
CN(C(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)c1ccccc1
Clc1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Clc1cccc(NC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)c1
Clc1ccc(NC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)cc1
O=C(Nc1ccccc1)Nc1cccc(c1)C1CCN(C1)c1ncnc2[nH]ccc12
O=C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccn1
O=C(Nc1cccnc1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(Nc1ccncc1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(Nc1ccsc1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
CCc1cccc(CC)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
CN(C)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1-n1ccnc1
Cc1cc(NC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)n(n1)C(C)(C)C
O=C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1N1CCCC1
O=C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1C1CC1
FC1(F)Oc2cccc(NC(=O)Nc3cccc(c3)C3CCCN(C3)c3ncnc4[nH]ccc34)c2O1
O=C(N[C@@H]1CCc2ccccc12)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r|
O=C(N[C@H]1CCc2ccccc12)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r|
O=C(N[C@H]1CCCc2ccccc12)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r|
C[C@@H](NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)c1ccccc1 |r|
C[C@@H](NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)C1CCCCC1 |r|
O=C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1cccc2[nH]ccc12
O=C(Nc1cccc(c1)[C@H]1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1N1CCCC1 |r|
O=C(Nc1cccc(c1)[C@@H]1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1N1CCCC1 |r|
O=C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1C1CCCC1
O=CNc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Clc1cccc(N2CCCC2)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Fc1cccc(N2CCCC2=O)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
C[C@@H]1CCCN1c1cccc(F)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r|
O=C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)N1CCCCC1
O=C(NC1CCCCC1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
CC(=O)Nc1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Oc1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Cc1cc(NC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)no1
Cn1ccc(NC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)n1
Clc1cccc(Cl)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Fc1cccc(F)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
COc1cccc(OC)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
CC(=O)NCc1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
CN(C)Cc1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
CS(=O)(=O)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1C#N
Cc1cc(NC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)on1
S=C(Nc1ccccc1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=S(=O)(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)c1ccccc1
O=c1c(Nc2ccccc2)c(Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)c1=O
Clc1ccc(Nc2c(Nc3cccc(c3)C3CCCN(C3)c3ncnc4[nH]ccc34)c(=O)c2=O)cc1
Clc1cccc(Nc2c(Nc3cccc(c3)C3CCCN(C3)c3ncnc4[nH]ccc34)c(=O)c2=O)c1
CNc1c(Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)c(=O)c1=O
CC(C)(C)Nc1c(Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)c(=O)c1=O
Clc1cccc(Cl)c1N\C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)=N\C#N
N#C\N=C(\NC1CCCCC1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
N#C\N=C(\NCC1CCCCC1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
CN\C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)=N\C#N
CC(C)(C)N\C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)=N\C#N
Cc1ccc(NC(=O)Nc2ccccc2)cc1C1CCCN(C1)c1ncnc2[nH]ccc12
Cc1ccc(NC(=O)c2ccccc2)cc1C1CCCN(C1)c1ncnc2[nH]ccc12
Cc1ccc(cc1NC(=O)Nc1ccccc1)C1CCCN(C1)c1ncnc2[nH]ccc12
Cc1ccc(cc1NC(=O)c1ccccc1)C1CCCN(C1)c1ncnc2[nH]ccc12
FC(F)(F)c1cc(NC(=O)Nc2ccccc2)cc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
FC(F)(F)c1cc(NC(=O)c2ccccc2)cc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
FC(F)(F)Oc1ccc(cc1NC(=O)c1ccccc1)C1CCCN(C1)c1ncnc2[nH]ccc12
FC(F)(F)Oc1ccc(cc1NC(=O)c1ccccc1Cl)C1CCCN(C1)c1ncnc2[nH]ccc12
FC(F)(F)Oc1ccc(cc1NC(=O)C1CCCCC1)C1CCCN(C1)c1ncnc2[nH]ccc12
FC(F)(F)Oc1ccc(cc1NC(=O)c1c(Cl)cccc1Cl)C1CCCN(C1)c1ncnc2[nH]ccc12
Fc1ccccc1C(=O)Nc1cc(ccc1OC(F)(F)F)C1CCCN(C1)c1ncnc2[nH]ccc12
Fc1cccc(Cl)c1C(=O)Nc1cc(ccc1OC(F)(F)F)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(Nc1ccccc1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ncc12
CC(=O)Nc1cc(ncn1)N1CCCC(C1)c1cccc(NC(=O)Nc2ccccc2)c1
Cn1ccc2c(ncnc12)N1CCCC(C1)c1cccc(NC(=O)Nc2ccccc2)c1
Nc1cc(ncn1)N1CCCC(C1)c1cccc(NC(=O)Nc2ccccc2)c1
CNc1cc(ncn1)N1CCCC(C1)c1cccc(NC(=O)Nc2ccccc2)c1
O=C(Nc1ccccc1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2NC(=O)Cc12
COc1c(N)ncnc1N1CCCC(C1)c1cccc(NC(=O)Nc2ccccc2)c1
Cc1c(N)ncnc1N1CCCC(C1)c1cccc(NC(=O)Nc2ccccc2)c1
Nc1ncnc(N2CCCC(C2)c2cccc(NC(=O)Nc3ccccc3)c2)c1Cl
Brc1n[nH]c2ncnc(N3CCCC(C3)c3cccc(NC(=O)Nc4ccccc4)c3)c12
Nc1ncnc(N2CCCC(C2)c2cccc(NC(=O)Nc3ccccc3)c2)c1Br
Nc1ncnc(N2CCCC(C2)c2cccc(NC(=O)Nc3ccccc3)c2)c1C#N
O=C(Nc1ccccc1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]cnc12
CCOC(=O)\C=C\c1c(N)ncnc1N1CCCC(C1)c1cccc(NC(=O)Nc2ccccc2)c1
C1CC(CN(C1)c1ncnc2[nH]ccc12)c1ccc2cc(Nc3ccccc3)[nH]c2c1
O=C(Nc1csc(n1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1
O=C(Nc1csc(n1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1N1CCCC1
Nc1ncnc(N2CCCC(C2)c2nc(NC(=O)Nc3ccccc3N3CCCC3)cs2)c1Cl
Nc1ncnc(N2CCCC(C2)c2nc(NC(=O)Nc3ccccc3N3CCCC3)cs2)c1C#N
O=C(Nc1csc(n1)C1CCCN(C1)c1ncnc2[nH]ncc12)Nc1ccccc1N1CCCC1
Fc1cc(F)c(NC(=O)Nc2csc(n2)C2CCCN(C2)c2ncnc3[nH]ccc23)c(c1)N1CCCC1
Fc1cc(F)c(NC(=O)Nc2csc(n2)C2CCCN(C2)c2ncnc3[nH]ncc23)c(c1)N1CCCC1
Nc1ncnc(N2CCCC(C2)c2nc(NC(=O)Nc3c(F)cc(F)cc3N3CCCC3)cs2)c1C#N
Nc1ncnc(N2CCCC(C2)c2nc(NC(=O)Nc3c(F)cc(F)cc3N3CCCC3)cs2)c1Cl
O=C(Nc1ncc(s1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1
O=C(Nc1nc(cs1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1
O=C(Nc1cnc(s1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1
O=C(Nc1ccccc1)Nc1cccc(n1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=c1nc(Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)[nH]c2ccccc12
O=c1nc(Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)[nH]c2CCCCc12
CC(C)c1cc(=O)nc(Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)[nH]1
Cc1cc(=O)nc(Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)[nH]1
OC[C@@H]1CCN(C[C@@H]1c1cccc(NC(=O)Nc2ccccc2N2CCCC2)c1)c1ncnc2[nH]ccc12 |r|
OCCN1CCN(CC1c1cccc(NC(=O)Nc2ccccc2N2CCCC2)c1)c1ncnc2[nH]ccc12
O=C(Nc1ccccc1)Nc1cccc(c1)C1CN(CCN1)c1ncnc2[nH]ccc12
CN1CCN(CC1c1cccc(NC(=O)Nc2ccccc2)c1)c1ncnc2[nH]ccc12
CC(=O)N1CCN(CC1c1cccc(NC(=O)Nc2ccccc2)c1)c1ncnc2[nH]ccc12
CS(=O)(=O)N1CCN(CC1c1cccc(NC(=O)Nc2ccccc2)c1)c1ncnc2[nH]ccc12
CC(C)CN1CCN(CC1c1cccc(NC(=O)Nc2ccccc2)c1)c1ncnc2[nH]ccc12
CC(C)N1CCN(CC1c1cccc(NC(=O)Nc2ccccc2)c1)c1ncnc2[nH]ccc12
OCCN1CCN(CC1c1cccc(NC(=O)Nc2ccccc2)c1)c1ncnc2[nH]ccc12
O=C(Nc1ccccc1)Nc1cccc(c1)C1CN(CCN1CCOCc1ccccc1)c1ncnc2[nH]ccc12
CC(C)c1ccccc1NC(=O)Nc1cccc(c1)C1CN(CCN1CCO)c1ncnc2[nH]ccc12
OCCN1CCN(CC1c1cccc(NC(=O)Nc2c(Cl)cccc2Cl)c1)c1ncnc2[nH]ccc12
OCCN1CCN(CC1c1cccc(NC(=O)Nc2c(F)cccc2N2CCCC2)c1)c1ncnc2[nH]ccc12
CN(C(=O)Nc1ccccc1)c1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
FC(F)(F)c1ccc(Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)cc1
FC(F)(F)c1cccc(Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)c1
FC(F)(F)c1ccccc1Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
C1CC(CN(C1)c1ncnc2[nH]ccc12)c1cccc(Nc2ccccn2)c1
C1CC(CN(C1)c1ncnc2[nH]ccc12)c1cccc(Nc2ncccn2)c1
FC(F)(F)c1ccc(Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)nc1
FC(F)(F)c1cccnc1Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Nc1ncnc(N2CCCC(C2)c2ccc(OC(F)(F)F)c(NC(=O)C3CCCCC3)c2)c1C#N
Nc1ncnc(N2CCCC(C2)c2ccc(OC(F)(F)F)c(NC(=O)c3ccccc3Cl)c2)c1C#N
Fc1cccc(N2CCCC2)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Fc1ccc(NC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)c(c1)N1CCCC1
O[C@H]1CN(C[C@H]1O)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r|
O[C@@H]1CCN(C1)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r|
O[C@H]1CN(C[C@@H]1O)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r|
CC(C)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
OC[C@@H]1CCCN1c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r|
Clc1cccc(Cl)c1NC(=O)Nc1cccc(c1)[C@H]1CCCN(C1)c1ncnc2[nH]ccc12 |r|
CC(C)c1cccc(C(C)C)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O[C@H]1CCN(C1)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r|
CC(C)(C)c1ccccc1NC(=O)Nc1cccc(c1)[C@H]1CCCN(C1)c1ncnc2[nH]ccc12 |r|
CO[C@H]1CCN(C1)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r|
O[C@@H]1CN(C[C@H]1O)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r|
C[C@@H]1CCCN1c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r|
Fc1ccc(N2CCCC2)c(NC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)c1
FC(F)(F)c1cccc(Cl)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
F[C@@H]1CCN(C1)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r|
OCC1CCN(CC1c1cccc(NC(=O)Nc2ccccc2N2CCCC2)c1)c1ncnc2[nH]ccc12
N[C@@H]1CCN(C1)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r|
O=C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1N1CCOCC1
O=C(NCC1CCCC1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
CC(C)(C)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
FC1(F)CCN(C1)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
N[C@H]1CCN(C1)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r|
O=C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1N1CCCC1=O
O=C(Nc1cccc(c1)C1CCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1N1CCCC1
O=C(Nc1ccccc1)Nc1cccc(c1)[C@@H]1CCCN(C1)c1ncnc2[nH]ccc12 |r|
FC(F)(F)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1N1CCCCC1
CO[C@@H]1CCN(C1)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r|
Cc1cccc(C)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(NCC1CCCCC1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
COc1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
CCC(CC)CNC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Fc1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Fc1cccc(NC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)c1
OC1(CNC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)CCCCC1
Fc1ccc(NC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)cc1
CC(C)CCNC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
COc1cccc(NC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)c1
C[C@H]1CCCN1c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r|
CC(C)(C)c1ccccc1NC(=O)Nc1cccc(c1)[C@@H]1CCCN(C1)c1ncnc2[nH]ccc12 |r|
Cc1ccnc(Cl)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
FC(F)Oc1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
CN(C)[C@H]1CCN(C1)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r|
O=C(NC1CCCC1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Fc1cccc(c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)C(F)(F)F
CC(C)(O)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
CC(C)(C)CNC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Fc1ncccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Oc1ncccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O[C@H]1CCCC[C@@H]1CNC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r|
Cc1ccnc(C)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
COc1ccc(NC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)cc1
Clc1ncccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
OC[C@@H](NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)C1CCCCC1 |r|
O=C(NC1CCC1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(N[C@@H]1CCCN(C1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1 |r|
Nc1ncnc(N2CCCC(C2)c2cccc(NC(=O)Nc3ccccc3)c2)c1CCC(O)=O
Clc1cccc(Cl)c1NC(=O)Nc1cccc(c1)[C@@H]1CCCN(C1)c1ncnc2[nH]ccc12 |r|
O=C(N[C@@H]1CCCc2ccccc12)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r|
CN1CCN(CC1)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
CN(C)[C@@H]1CCN(C1)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r|
O=C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1cccc2cc[nH]c12
CC(C)CNC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
OCC(NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)C1CCCCC1
O=C(NCC1COCCO1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
COc1ncccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(NCc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1
O=C(NCC1CCCCCC1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O[C@@H]1CCCC[C@@H]1CNC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r|
O=C(NCc1ccccc1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(N[C@@H]1CCN(C1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1 |r|
Clc1cnccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(NCC1CCOCC1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1cnccc1N1CCCC1
CN1CCCC(CNC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)C1
O=C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1cccc2[nH]ncc12
Cc1cc(NC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)n(n1)-c1ccccc1
CN1CCCCC1CNC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(NCC1CCCNC1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
CN(C)CCn1nc(C)cc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(NCC1CCNCC1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(NC1CCCNC1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(NCC1CCNC1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(NC1CN(C1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1
CN1CCC(O)(CNC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)CC1
Cc1cc(NC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)c(o1)C(F)(F)F
O=C(N[C@H]1CCCN(C1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1 |r|
Cc1cccc(Cl)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(NC1CCNC1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
CC(=O)N1CCCC(CNC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)C1
CC(C)NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
C[C@H](NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)C1CCCCC1 |r|
O=C(NC1CCNCC1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Cc1nn(C)c(C)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
CN1CCC(CNC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)CC1
CC(=O)N1CCC(CNC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)CC1
O=C(NCC1CCS(=O)(=O)C1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
C[C@H](NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)c1ccccc1 |r|
Cn1nccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
CC(C)(C)NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
CN(C)C1(CNC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)CCCCC1
O=C(NCC1CCCCN1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
CCOC(=O)CCc1c(N)ncnc1N1CCCC(C1)c1cccc(NC(=O)Nc2ccccc2)c1
Cc1noc(C)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(Nc1ccc(cc1)C1CCCC1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(N[C@H]1CCN(C1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1 |r|
FC(F)(F)C1CCC(CNC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)CC1 |(10.52,-1.16,;9.19,-.39,;9.96,.95,;8.42,-1.72,;7.85,.38,;6.52,-.39,;5.19,.38,;5.19,1.92,;3.85,2.69,;2.52,1.93,;1.18,2.69,;1.18,4.23,;-.15,1.93,;-1.48,2.69,;-1.48,4.23,;-2.82,5,;-4.15,4.23,;-4.15,2.69,;-2.82,1.93,;-5.48,1.93,;-6.82,2.69,;-8.15,1.93,;-8.15,.38,;-6.82,-.38,;-5.48,.38,;-6.82,-1.93,;-5.48,-2.69,;-5.48,-4.23,;-6.82,-5,;-8.15,-4.23,;-9.62,-4.71,;-10.52,-3.47,;-9.62,-2.22,;-8.15,-2.69,;6.52,2.69,;7.85,1.92,)|
CC1(C)[C@H]2C[C@@H]1C(CNC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc3[nH]ccc13)CC2 |r,TLB:7:6:4:1|
O=C(NCCC1CCCCC1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
CC(C)(C#N)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
NC(=O)Cc1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
CNC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
CC(C)(C)c1ccc(NC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)cc1
CC(C)(C)c1cccc(NC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)c1
O=C(Nc1ccccc1)Nc1cccc(c1)[C@H]1CCCN(C1)c1ncnc2[nH]ccc12 |r|
COc1ccc(cc1NC(=O)Nc1ccccc1)C1CCCN(C1)c1ncnc2[nH]ccc12
FC(F)(F)Oc1ccc(cc1NC(=O)Nc1ccccc1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(Nc1ccccc1)Nc1ccc(cc1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C1C(CCN1[C@@H]1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1 |r,w:2.24|
O=C1C(CCCN1[C@@H]1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1 |r,w:2.25|
O=C1[C@H](CCN1[C@@H]1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1 |r|
O=C1[C@@H](CCN1[C@@H]1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1 |r|
O=C1C(Nc2ccccc2)c2ccccc2N1[C@@H]1CCCN(C1)c1ncnc2[nH]ccc12 |r|
Fc1cc(Cl)cc(NC2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ccc34)C2=O)c1 |r|
Clc1cc(Cl)cc(NC2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ccc34)C2=O)c1 |r|
Nc1ncnc(N2CCC[C@H](C2)N2CCCC(Nc3cc(F)cc(Cl)c3)C2=O)c1F |r|
Nc1ncnc(N2CCC[C@H](C2)N2CCCC(Nc3cc(Cl)cc(Cl)c3)C2=O)c1F |r|
Nc1ncnc(N2C[C@@H](F)C[C@H](C2)N2CCCC(Nc3cc(F)cc(Cl)c3)C2=O)c1F |r|
Nc1ncnc(N2C[C@@H](F)C[C@H](C2)N2CCCC(Nc3cc(Cl)cc(Cl)c3)C2=O)c1F |r|
C[C@H]1CCN(C[C@@H]1N1CCCC(Nc2cc(Cl)cc(Cl)c2)C1=O)c1ncnc(N)c1F |r|
C[C@H]1CCN(C[C@@H]1N1CCCC(Nc2cccc(Cl)c2)C1=O)c1ncnc(N)c1F |r|
Nc1ncnc(N2C[C@@H](O)C[C@H](C2)N2CCCC(Nc3cc(Cl)cc(Cl)c3)C2=O)c1F |r|
Nc1ncnc(N2C[C@@H](O)C[C@H](C2)N2CCCC(Nc3cc(F)cc(Cl)c3)C2=O)c1F |r|
Fc1cc(Cl)cc(NC2CCCN([C@@H]3CCCN(C3)c3c(cnc4[nH]ccc34)C#N)C2=O)c1 |r|
CNc1ncnc(N2CCC[C@H](C2)N2CCCC(Nc3cc(F)cc(Cl)c3)C2=O)c1F |r|
CCNc1ncnc(N2CCC[C@H](C2)N2CCCC(Nc3cc(F)cc(Cl)c3)C2=O)c1F |r|
CCCNc1ncnc(N2CCC[C@H](C2)N2CCCC(Nc3cc(F)cc(Cl)c3)C2=O)c1F |r|
Nc1ncnc(N2CCC[C@H](C2)N2CCCC(Nc3cc(F)cc(Cl)c3)C2=O)c1Cl |r|
CC(C)(C)NC1CCCN([C@@H]2CCCN(C2)c2ncnc(N)c2F)C1=O |r|
Nc1ncnc(N2CCC[C@H](C2)N2CCCC(NCc3ccccc3)C2=O)c1F |r|
CC(C)(C)CNC1CCCN([C@@H]2CCCN(C2)c2ncnc(N)c2F)C1=O |r|
Nc1ncnc(N2CCC[C@H](C2)N2CCCC(NCC3CCCCC3)C2=O)c1F |r|
Nc1ncnc(N2CCC[C@H](C2)N2CCCC(NC3CCC(F)(F)CC3)C2=O)c1F |r|
CCOC(=O)c1ccccc1NC1CCCN([C@@H]2CCCN(C2)c2ncnc(N)c2F)C1=O |r|
CCOC(=O)c1cccc(NC2CCCN([C@@H]3CCCN(C3)c3ncnc(N)c3F)C2=O)c1 |r|
Nc1ncnc(N2CCC[C@H](C2)N2CCCC(Nc3ccccc3C(O)=O)C2=O)c1F |r|
Nc1ncnc(N2CCC[C@H](C2)N2CCCC(Nc3ccc(cc3)C(O)=O)C2=O)c1F |r|
Nc1ncnc(N2CCC[C@H](C2)N2CCCC(Nc3cccc(c3)C(O)=O)C2=O)c1F |r|
FC(F)(F)c1cc(Cl)cc(NC2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ccc34)C2=O)c1 |r|
Fc1c(Cl)cc(NC2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ccc34)C2=O)cc1Cl |r|
FC(F)(F)c1cc(NC2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ccc34)C2=O)cc(c1)C(F)(F)F |r|
O=C1C(CCCN1[C@@H]1CCCN(C1)c1ncnc2[nH]ccc12)NC1CCCC1 |r|
O=C1C(CCCN1[C@@H]1CCCN(C1)c1ncnc2[nH]ccc12)NC1CCCCC1 |r|
FC(F)(F)c1cc(Cl)cc(NC2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ncc34)C2=O)c1 |r|
Fc1c(Cl)cc(NC2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ncc34)C2=O)cc1Cl |r|
FC(F)(F)c1cc(NC2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ncc34)C2=O)cc(c1)C(F)(F)F |r|
Nc1ncnc(N2CCC[C@H](C2)N2CCCC(Nc3cc(Cl)cc(c3)C(F)(F)F)C2=O)c1F |r|
Nc1ncnc(N2CCC[C@H](C2)N2CCCC(Nc3cc(Cl)c(F)c(Cl)c3)C2=O)c1F |r|
Nc1ncnc(N2CCC[C@H](C2)N2CCCC(Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C2=O)c1F |r|
Nc1ncnc(N2CCC[C@H](C2)N2CCC[C@@H](Nc3cc(Cl)cc(c3)C(F)(F)F)C2=O)c1F |r|
Nc1ncnc(N2CCC[C@H](C2)N2CCC[C@H](Nc3cc(Cl)cc(c3)C(F)(F)F)C2=O)c1F |r|
Nc1ncnc(N2CCC[C@H](C2)N2CCC[C@H](Nc3cc(F)cc(Cl)c3)C2=O)c1F |r|
Nc1ncnc(N2CCC[C@H](C2)N2CCC[C@@H](Nc3cc(F)cc(Cl)c3)C2=O)c1F |r|
Nc1ncnc(N2CCC[C@H](C2)N2CCC[C@@H](Nc3cc(Cl)cc(Cl)c3)C2=O)c1F |r|
Fc1cc(Cl)cc(N[C@@H]2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ccc34)C2=O)c1 |r|
Fc1cc(Cl)cc(N[C@H]2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ccc34)C2=O)c1 |r|
O=C1C(CCCN1[C@@H]1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1S(=O)(=O)N1CCCCC1 |r|
Nc1ncnc(N2CCC[C@H](C2)N2CCCC(Nc3ccccc3S(=O)(=O)c3ccccc3)C2=O)c1F |r|
Nc1ncnc(N2CCC[C@H](C2)N2CCCC(Nc3ccccc3S(=O)(=O)C3CCCCC3)C2=O)c1F |r|
CN(C)S(=O)(=O)c1ccccc1NC1CCCN([C@@H]2CCCN(C2)c2ncnc(N)c2F)C1=O |r|
FC(F)(F)[C@H]1CCN(C[C@@H]1N1CC[C@@H](Nc2cc(Cl)cc(Cl)c2)C1=O)c1ncnc2[nH]ccc12 |r|
Clc1cc(Cl)cc(N[C@@H]2CCN([C@@H]3CCCN(C3)c3ncnc4[nH]ccc34)C2=O)c1 |r|
Nc1ncnc(N2CC[C@H](O)[C@H](C2)N2CCCC(Nc3cc(F)cc(Cl)c3)C2=O)c1F |r|
Nc1ncnc(N2CC[C@H](O)[C@H](C2)N2CCC[C@H](Nc3cc(Cl)cc(Cl)c3)C2=O)c1F |r|
Nc1ncnc(N2CC[C@H](O)[C@H](C2)N2CCC[C@@H](Nc3cc(Cl)cc(Cl)c3)C2=O)c1F |r|
Nc1ncnc(N2CC[C@@H](O)[C@@H](C2)N2CCC[C@@H](Nc3cc(Cl)cc(Cl)c3)C2=O)c1F |r|
Nc1ncnc(N2CC[C@@H](O)[C@@H](C2)N2CCC[C@H](Nc3cc(Cl)cc(Cl)c3)C2=O)c1F |r|
Nc1ncnc(N2CC[C@@H]([C@H](C2)N2CCCC(Nc3cc(F)cc(Cl)c3)C2=O)C(F)(F)F)c1F |r|
Nc1ncnc(N2CC[C@H]([C@@H](C2)N2CCC[C@@H](Nc3cc(F)cc(Cl)c3)C2=O)C(F)(F)F)c1F |r|
Nc1ncnc(N2CC[C@H]([C@@H](C2)N2CCC[C@H](Nc3cc(F)cc(Cl)c3)C2=O)C(F)(F)F)c1F |r|
Nc1ncnc(N2CC[C@@H]([C@H](C2)N2CCC[C@@H](Nc3cc(F)cc(Cl)c3)C2=O)C(F)(F)F)c1F |r|
Nc1ncnc(N2CC[C@@H]([C@H](C2)N2CCC[C@H](Nc3cc(F)cc(Cl)c3)C2=O)C(F)(F)F)c1F |r|
Nc1ncnc(N2CC[C@@H]([C@H](C2)N2CCCC(Nc3cc(Cl)cc(Cl)c3)C2=O)C(F)(F)F)c1F |r|
Nc1ncnc(N2CC[C@H]([C@@H](C2)N2CCC[C@@H](Nc3cc(Cl)cc(Cl)c3)C2=O)C(F)(F)F)c1F |r|
Nc1ncnc(N2CC[C@H]([C@@H](C2)N2CCC[C@H](Nc3cc(Cl)cc(Cl)c3)C2=O)C(F)(F)F)c1F |r|
Nc1ncnc(N2CC[C@@H]([C@H](C2)N2CCC[C@@H](Nc3cc(Cl)cc(Cl)c3)C2=O)C(F)(F)F)c1F |r|
Nc1ncnc(N2CC[C@@H]([C@H](C2)N2CCC[C@H](Nc3cc(Cl)cc(Cl)c3)C2=O)C(F)(F)F)c1F |r|
FC(F)(F)[C@H]1CCN(C[C@@H]1N1CCCC(Nc2cc(Cl)cc(Cl)c2)C1=O)c1ncnc2[nH]ccc12 |r|
Nc1ncnc(N2CCC(F)C(C2)N2CCCC(Nc3cc(F)cc(Cl)c3)C2=O)c1F
Nc1ncnc(N2CC[C@@H](F)[C@H](C2)N2CCC[C@@H](Nc3cc(F)cc(Cl)c3)C2=O)c1F |r|
Nc1ncnc(N2CC[C@@H](F)[C@@H](C2)N2CCC[C@@H](Nc3cc(F)cc(Cl)c3)C2=O)c1F |r|
Nc1ncnc(N2CC[C@H](F)[C@@H](C2)N2CCC[C@H](Nc3cc(F)cc(Cl)c3)C2=O)c1F |r|
Nc1ncnc(N2CCOCC(C2)N2CCCC(Nc3cc(Cl)cc(Cl)c3)C2=O)c1F
Nc1ncnc(N2CCOCC(C2)N2CCCC(Nc3cc(F)cc(Cl)c3)C2=O)c1F
Nc1ncnc(N2CCC[C@H](C2)N2CCCC[C@@H](Nc3cc(F)cc(Cl)c3)C2=O)c1F |r|
Nc1ncnc(N2CCC[C@H](C2)N2CC=CC[C@@H](Nc3cc(F)cc(Cl)c3)C2=O)c1F |r,c:15|
Nc1ncnc(N2CCC[C@H](C2)N2CC(O)C(O)C[C@@H](Nc3cc(F)cc(Cl)c3)C2=O)c1F |r|
Nc1ncnc(N2CCC(C(C2)N2CC=CC[C@@H](Nc3cc(F)cc(Cl)c3)C2=O)C(F)(F)F)c1F |r,c:15|
Nc1ncnc(N2CC[C@H]([C@@H](C2)N2CC=CC[C@@H](Nc3cc(F)cc(Cl)c3)C2=O)C(F)(F)F)c1F |r,c:15|
Fc1cc(Cl)cc(NC2CCCN([C@@H]3CCCN(C3)c3ncnc(NC#N)c3F)C2=O)c1 |r|
Fc1cc(Cl)cc(NC2CCCN([C@H]3CN(CC[C@@H]3C(F)(F)F)c3ncnc4[nH]ccc34)C2=O)c1 |r|
Nc1ncnc(N2CC[C@@H]([C@H](C2)N2CC[C@@H](Nc3cc(Cl)cc(Cl)c3)C2=O)C(F)(F)F)c1F |r|
Nc1ncnc(N2CCC[C@H](C2)N2CC[C@@H](Nc3cc(Cl)cc(Cl)c3)C2=O)c1Cl |r|
FC(F)(F)[C@H]1CCN(C[C@@H]1N1CC[C@@H](Nc2cc(Cl)cc(Cl)c2)C1=O)c1ncnc2[nH]ncc12 |r|
FC(F)(F)[C@@H]1CCN(C[C@H]1N1CC[C@H](Nc2cc(Cl)cc(Cl)c2)C1=O)c1ncnc2[nH]ncc12 |r|
Clc1cc(Cl)cc(N[C@H]2CCN([C@@H]3CCCN(C3)c3ncnc4[nH]ccc34)C2=O)c1 |r|
Fc1cc(Cl)cc(NC2CCCN([C@@H]3CCCN(C3)c3cc(NC#N)ncn3)C2=O)c1 |r|
Nc1ncnc(N2CC(CC(F)(F)C2)N2CCCC(Nc3cc(F)cc(Cl)c3)C2=O)c1F
Fc1cc(Cl)cc(NC2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ncc34)C2=O)c1 |r|
Nc1cc(ncn1)N1CCC[C@H](C1)N1CCCC(Nc2cc(F)cc(Cl)c2)C1=O |r|
C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C1(C)CCC(C)(CC1)C(O)=O)c1cccc(c1)C(F)(F)F |r,wU:1.0,wD:1.1,(4.06,5.51,;2.58,5.91,;3.67,7,;2.18,4.42,;3.27,3.33,;2.87,1.84,;1.38,1.45,;.29,2.53,;.69,4.02,;.98,-.04,;1.89,-1.29,;.98,-2.53,;-.48,-2.06,;-1.82,-2.83,;-3.15,-2.06,;-3.15,-.52,;-1.82,.25,;-1.82,1.79,;-.48,-.52,;1.38,-4.02,;2.47,-2.93,;.29,-5.11,;.69,-6.6,;2.18,-7,;3.67,-7.4,;3.27,-5.91,;2.87,-4.42,;2.58,-8.48,;4.06,-8.88,;1.49,-9.57,;1.49,7,;1.89,8.48,;.8,9.57,;-.69,9.17,;-1.09,7.69,;,6.6,;-2.58,7.29,;-3.67,8.38,;-2.98,5.8,;-4.06,6.89,)|
C[C@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CC2)C(O)=O)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CC2)C(O)=O)c1cccc(c1)C(F)(F)F |r|
CC(C)[C@@]1(CC[C@@H](C1)c1nc(-c2ccc(cc2)[C@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
CC(C)[C@@]1(CC[C@@H](C1)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1=O)(C(O)=O)C(=O)C2)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1)(C2)C(O)=O)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CCC2)C(O)=O)c1cccc(c1)C(F)(F)F |r,wU:1.0,wD:1.1,(3.86,5.48,;2.38,5.88,;3.47,6.97,;1.98,4.4,;3.07,3.31,;2.67,1.82,;1.18,1.42,;.09,2.51,;.49,4,;.78,-.07,;1.69,-1.31,;.78,-2.56,;-.68,-2.08,;-2.02,-2.85,;-3.35,-2.08,;-3.35,-.54,;-2.02,.23,;-2.02,1.77,;-.68,-.54,;1.55,-3.89,;.22,-4.66,;.22,-6.2,;1.55,-6.97,;2.89,-6.2,;2.89,-4.66,;3.64,-6.41,;3.64,-5.16,;2.91,-3.89,;1.15,-8.46,;-.33,-8.86,;2.24,-9.55,;1.29,6.97,;1.69,8.46,;.6,9.55,;-.89,9.15,;-1.29,7.66,;-.2,6.57,;-2.78,7.26,;-3.86,8.35,;-3.17,5.78,;-2.78,8.8,)|
C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C1(CCOCC1)C(O)=O)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1(F)F)(C(O)=O)C(F)(F)C2)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2CC[C@@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
CC(C)[C@@]1(CCC[C@H](C1)c1nc(-c2ccc(cc2)[C@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
CC(C)[C@]1(CCC[C@@H](C1)c1nc(-c2ccc(cc2)[C@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)[C@@]1(C)CC[C@@](C)(C1)C(O)=O)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)[C@@]1(C)CC[C@](C)(C1)C(O)=O)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)[C@]1(C)CC[C@@](C)(C1)C(O)=O)c1cccc(c1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CC2)C(O)=O)C(C)(O)c1cccc(C)c1
CC(C)[C@H]1CC[C@H](C[C@H]1C(O)=O)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1)(C1CC21)C(O)=O)c1cccc(c1)C(F)(F)F |r,wU:1.0,wD:1.1,(2.18,6.06,;.64,6.06,;1.41,7.39,;.64,4.52,;1.97,3.75,;1.97,2.21,;.64,1.44,;-.69,2.21,;-.69,3.75,;.64,-.1,;1.89,-1.01,;1.41,-2.47,;-.13,-2.47,;-1.16,-3.62,;-2.67,-3.3,;-3.14,-1.83,;-2.11,-.69,;-2.51,.8,;-.61,-1.01,;2.18,-3.8,;3.72,-3.8,;4.49,-5.14,;3.72,-6.47,;3.72,-5.32,;3.14,-4.36,;2.18,-6.47,;.64,-6.47,;1.41,-5.14,;4.49,-7.81,;6.03,-7.81,;3.72,-9.14,;-.69,6.83,;-.69,8.37,;-2.03,9.14,;-3.36,8.37,;-3.36,6.83,;-2.03,6.06,;-4.7,6.06,;-6.03,6.83,;-4.7,4.52,;-6.03,5.29,)|
CC(C)[C@@H]1CC[C@@H](C[C@@H]1C(O)=O)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2c(F)cnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2C[C@@H]3CC[C@H](C2)[C@@H]3C(O)=O)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2C[C@@H]3CC[C@H](C2)[C@@H]3C(O)=O)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)c1cccc(c1)C(F)F |r|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)[C@@](C)(O)c1cccc(c1)C(F)(F)F |r|
CC(C)[C@@]1(CC[C@H](C1)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)F)c2c(N)ncc(Cl)n12)C(O)=O |r|
CC(C)[C@]1(CC[C@@H](C1)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)F)c2c(N)ncc(Cl)n12)C(O)=O |r|
CC(C)[C@@]1(CC[C@@H](C1)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)F)c2c(N)ncc(Cl)n12)C(O)=O |r|
CC(C)[C@]1(CC[C@H](C1)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)F)c2c(N)ncc(Cl)n12)C(O)=O |r|
C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C1(C)CCC(C)(CC1)C(O)=O)c1cccc(c1)C(F)F |r,wU:1.0,wD:1.1,(3.86,5.51,;2.38,5.91,;3.47,7,;1.98,4.42,;3.07,3.33,;2.67,1.84,;1.18,1.45,;.09,2.53,;.49,4.02,;.78,-.04,;1.69,-1.29,;.78,-2.53,;-.68,-2.06,;-2.02,-2.83,;-3.35,-2.06,;-3.35,-.52,;-2.02,.25,;-2.02,1.79,;-.68,-.52,;1.18,-4.02,;-.31,-3.62,;.09,-5.11,;.49,-6.6,;1.98,-7,;3.47,-7.4,;3.07,-5.91,;2.67,-4.42,;2.38,-8.48,;1.29,-9.57,;3.86,-8.88,;1.29,7,;1.69,8.48,;.6,9.57,;-.89,9.17,;-1.29,7.69,;-.2,6.6,;-2.78,7.29,;-3.86,8.38,;-3.17,5.8,)|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2c(F)cnc(N)c12)c1cccc(c1)C(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2C[C@H]3[C@@H](C2)[C@H]3C(O)=O)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2C[C@H]3[C@@H](C2)[C@@H]3C(O)=O)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
Nc1ncnc2c(nn(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12)C1CCCC1
Cc1ncc(COc2cccc(Oc3ccc(cc3)-n3nc(C4CCCC4)c4ncnc(N)c34)c2)s1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-n3nc(C4CCOCC4)c4ncnc(N)c34)c2)s1
Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-n2nc(C3CCOCC3)c3ncnc(N)c23)c1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-n3nc(C4CCOCC4)c4ncnc(N)c34)c2)o1
Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-n3nc(C4CCCC4)c4ncnc(N)c34)c2)cn1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-n3nc(C4CCCC4)c4ncnc(N)c34)c2)s1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-n3nc(C4CCCC4)c4ncnc(N)c34)c2)cn1
CC(C)c1nn(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)s4)c3)cc2)c2c(N)ncnc12
CC(C)c1nn(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)ncnc12
CC(C)c1nn(-c2ccc(Oc3cc(F)cc(OCc4ccc(C)nc4)c3)cc2)c2c(N)ncnc12
CC(C)c1nn(-c2ccc(Oc3cc(F)cc(OCc4ccccc4)c3)cc2)c2c(N)ncnc12
Nc1ncnc2c(nn(-c3ccc(Oc4cc(F)cc(OCc5ccccc5)c4)cc3)c12)C1CCOCC1
Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-n3nc(C4CCOCC4)c4ncnc(N)c34)c2)cn1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-n3nc(C4CCOCC4)c4ncnc(N)c34)c2)cn1
Nc1ncnc2[nH]nc(-c3ccc(Oc4cccc(OCc5ccccc5)c4)cc3)c12
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5ccccc5)c4)cc3)c12)C1CCCC1
CC(C)(C)OC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(OCc4ccccc4)c3)cc2)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5ccccc5)c4)cc3)c12)[C@@H]1CCCNC1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5ccccc5)c4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(OCc4ccccc4)c3)cc2)c2c(N)ncnc12 |r|
CCCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(OCc4ccccc4)c3)cc2)c2c(N)ncnc12 |r|
CC(C)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(OCc4ccccc4)c3)cc2)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5ccc(Cl)cc5)c4)cc3)c12)C1CCCC1
COc1cccc(COc2cccc(Oc3ccc(cc3)-c3nn(C4CCCC4)c4ncnc(N)c34)c2)c1
COc1ccc(COc2cccc(Oc3ccc(cc3)-c3nn(C4CCCC4)c4ncnc(N)c34)c2)cc1
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5ccccc5C#N)c4)cc3)c12)C1CCCC1
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(COc5ccccc5)c4)cc3)c12)C1CCCC1
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12)C1CCCC1
Cn1nc(-c2ccc(Oc3cccc(OCc4ccccc4)c3)cc2)c2c(N)ncnc12
Cn1nc(-c2ccc(Oc3cccc(COc4ccccc4C#N)c3)cc2)c2c(N)ncnc12
Cc1ncc(COc2cccc(Oc3ccc(cc3)-c3nn(C)c4ncnc(N)c34)c2)s1
Cn1nc(-c2ccc(Oc3cccc(OCc4cncs4)c3)cc2)c2c(N)ncnc12
Cn1nc(-c2ccc(Oc3cccc(OCc4ccccc4C(F)(F)F)c3)cc2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5ccccc5)c4)cc3)c12)C1CCOCC1
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(COc5ccccc5C#N)c4)cc3)c12)C1CCOCC1
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5ccccc5C(F)(F)F)c4)cc3)c12)C1CCOCC1
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12)C1CCOCC1
CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(COc4ccccc4C#N)c3)cc2)c2c(N)ncnc12 |r|
CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(OCc4ccccc4C(F)(F)F)c3)cc2)c2c(N)ncnc12 |r|
CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(OCc4cncs4)c3)cc2)c2c(N)ncnc12 |r|
CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(OCc4ccccc4C#N)c3)cc2)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5ccccc5C(F)(F)F)c4)cc3)c12)C1CCCC1
Cn1nc(-c2ccc(Oc3cccc(OCc4ccccc4C#N)c3)cc2)c2c(N)ncnc12
Cn1nc(-c2ccc(Oc3cccc(COc4ccccc4C(F)(F)F)c3)cc2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(COc5ccccc5C(F)(F)F)c4)cc3)c12)C1CCCC1
CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(COc4ccccc4C(F)(F)F)c3)cc2)c2c(N)ncnc12 |r|
CN(C)CCn1nc(-c2ccc(Oc3cccc(OCc4cncs4)c3)cc2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5ccccc5C#N)c4)cc3)c12)C1CCOCC1
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(COc5ccccc5C(F)(F)F)c4)cc3)c12)C1CCOCC1
Cc1ncc(COc2cccc(Oc3ccc(cc3)-c3nn(C4CCCC4)c4ncnc(N)c34)c2)s1
Cc1ncc(COc2cccc(Oc3ccc(cc3)-c3nn(C4CCOCC4)c4ncnc(N)c34)c2)s1
Nc1ncnc2n(CCN3CCCC3)nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12
CN1CCN(CCn2nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c3c(N)ncnc23)CC1
Nc1ncnc2n(CCc3ccncc3)nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12
Nc1ncnc2n(CCc3ccccc3)nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12)C1CCNCC1
Nc1ncnc2n(CCN3CCOCC3)nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12
CC(=O)n1nc(-c2ccc(Oc3cccc(OCc4ccccc4)c3)cc2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cncs5)c4)cc3)c12)C1CCOCC1
CC(=O)N1CCC(CC1)n1nc(-c2ccc(Oc3cccc(OCc4cncs4)c3)cc2)c2c(N)ncnc12
Cn1cncc1COc1cccc(Oc2ccc(cc2)-c2nn(C3CCOCC3)c3ncnc(N)c23)c1
CC(C)(C)OC(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3cccc(OCc4cncs4)c3)cc2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cncs5)c4)cc3)c12)C1CCCC1
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12)C1CCCNC1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CCN4CCOCC4)c4ncnc(N)c34)c2)s1
Nc1ncnc2n(CCCN3CCOCC3)nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCOCC4)c4ncnc(N)c34)c2)s1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CCCN4CCOCC4)c4ncnc(N)c34)c2)s1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CCN4CCCC4)c4ncnc(N)c34)c2)s1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCCC4)c4ncnc(N)c34)c2)s1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3F)-c3nn(C4CCOCC4)c4ncnc(N)c34)c2)s1
Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4nn(C5CCOCC5)c5ncnc(N)c45)c(F)c3)c2)s1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C)c4ncnc(N)c34)c2)s1
Cc1ncc(COc2cccc(Oc3ccc(cc3F)-c3nn(C4CCOCC4)c4ncnc(N)c34)c2)s1
Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5ccccc5)c4)cc3)c12)C1CCOCC1
Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCOCC4)c4ncnc(N)c34)c2)cn1
Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(CCc5ccccc5)c4)cc3)c12)C1CCOCC1
Cn1cncc1CCc1cc(F)cc(Oc2ccc(cc2)-c2nn(C3CCOCC3)c3ncnc(N)c23)c1
Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cncnc5)c4)cc3)c12)C1CCOCC1
Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cnccn5)c4)cc3)c12)C1CCOCC1
Cc1ncc(COc2cccc(Oc3ccc(-c4nn(C5CCOCC5)c5ncnc(N)c45)c(F)c3)c2)s1
Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(C3CCOCC3)c3ncnc(N)c23)c1
Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2F)-c2nn(C3CCOCC3)c3ncnc(N)c23)c1
Cn1cncc1COc1cc(F)cc(Oc2ccc(-c3nn(C4CCOCC4)c4ncnc(N)c34)c(F)c2)c1
CC(C)Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(C3CCOCC3)c3ncnc(N)c23)c1
Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cncn5Cc5ccccc5)c4)cc3)c12)C1CCOCC1
Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cncn5C5CCCC5)c4)cc3)c12)C1CCOCC1
CC(C)n1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)s4)c3)cc2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc(Oc3cc(F)cc(OCc4cncn4C)c3)cc2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(CCc5cccnc5)c4)cc3)c12)C1CCOCC1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CCO)c4ncnc(N)c34)c2)s1
Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(C3CCCC3)c3ncnc(N)c23)c1
COCCn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(C3CCOCC3)c3ncnc(N)c23)c1
Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCCC4)c4ncnc(N)c34)c2)cn1
CC(C)n1nc(-c2ccc(Oc3cc(F)cc(OCc4ccc(C)nc4)c3)cc2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(CCc5ccccn5)c4)cc3)c12)C1CCOCC1
CCn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(C3CCOCC3)c3ncnc(N)c23)c1
Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CCO)c4ncnc(N)c34)c2)cn1
Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(CCO)c3ncnc(N)c23)c1
Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCOCC4)c4ncnc(N)c34)c2)c[n+]1[O-]
Cn1cncc1COc1cc(F)cc(Oc2ccc(-c3nn(C4CCCC4)c4ncnc(N)c34)c(F)c2)c1
Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cnc[nH]5)c4)cc3)c12)C1CCOCC1
Cc1ccc(COc2cc(F)cc(Oc3ccc(-c4nn(C5CCOCC5)c5ncnc(N)c45)c(F)c3)c2)cn1
Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CCCO)c4ncnc(N)c34)c2)cn1
Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cncn5CCOCc5ccccc5)c4)cc3)c12)C1CCOCC1
CC(C)n1nc(-c2ccc(Oc3cc(F)cc(OCc4cncn4C)c3)cc2F)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cncn5CCO)c4)cc3)c12)C1CCOCC1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C(CO)CO)c4ncnc(N)c34)c2)s1
Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5ccc(CO)nc5)c4)cc3)c12)C1CCOCC1
CC(C)n1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)ncnc12
Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(C3CCCCC3)c3ncnc(N)c23)c1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CCCO)c4ncnc(N)c34)c2)s1
Cn1cncc1COc1cc(F)cc(Oc2ccc(-c3nn(CCO)c4ncnc(N)c34)c(F)c2)c1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCOCC4)c4ncnc(N)c34)c2)cn1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCCC4)c4ncnc(N)c34)c2)cn1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCOCC4)c4ncnc(N)c34)c2)n1C
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C(CO)CCl)c4ncnc(N)c34)c2)s1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CCO)c4ncnc(N)c34)c2)cn1
Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC(C)(C)O)c4ncnc(N)c34)c2)cn1
Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(CC(C)(C)O)c3ncnc(N)c23)c1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4COC4)c4ncnc(N)c34)c2)s1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CCCO)c4ncnc(N)c34)c2)cn1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CCO)c4ncnc(N)c34)c2)n1C
Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(CCCO)c3ncnc(N)c23)c1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC(C)(C)O)c4ncnc(N)c34)c2)s1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCOCC4)c4ncnc(N)c34)c2)[nH]1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC4(C)COC4)c4ncnc(N)c34)c2)cn1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCCC4)c4ncnc(N)c34)c2)n1C
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC(C)(C)O)c4ncnc(N)c34)c2)n1C
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC(C)(C)O)c4ncnc(N)c34)c2)cn1
CC(C)n1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)n4C)c3)cc2)c2c(N)ncnc12
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC4(C)COC4)c4ncnc(N)c34)c2)n1C
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC4(C)COC4)c4ncnc(N)c34)c2)s1
Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC4(C)COC4)c4ncnc(N)c34)c2)cn1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(c4ncnc(N)c34)C(C)(C)C)c2)s1
CC(C)n1nc(-c2ccc(Oc3cc(F)cc(OCc4ccc(CO)nc4)c3)cc2)c2c(N)ncnc12
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(c4ncnc(N)c34)C(C)(C)C)c2)cn1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C(CO)CO)c4ncnc(N)c34)c2)cn1
CC(=C)C(=O)N1CC[C@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
C=CC(=O)N1CC[C@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
C\C=C\C(=O)N1CC[C@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
C=CC(=O)NC1CCN(C1)c1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
C=CC(=O)N1CC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
C=CC(=O)N1CCC[C@H]1CNc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
C=CC(=O)N1CCC[C@H]1COc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
C=CC(=O)N1CC[C@@H](C1)Nc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
C=CC(=O)N1CCC[C@@H]1COc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
CC(=C)C(=O)N1CC[C@@H](C1)Nc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
CN([C@H]1CCN(C1)C(=O)C=C)c1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
CC(=C)C(=O)N1CC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
C=CC(=O)N1CC[C@@H](C1)OCc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
CN(C)C\C=C\C(=O)N1CC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
C\C=C\C(=O)N1CC[C@@H](C1)Nc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
C=CC(=O)N1CC[C@@H](C1)Oc1nc(cc2cccnc12)-c1n[nH]c(=O)[nH]1 |r|
C=CC(=O)N1CC[C@@H](C1)Nc1nc(cc2cccnc12)-c1n[nH]c(=O)[nH]1 |r|
Fc1ccc2cc(nc(O[C@H]3CCN(C3)C(=O)C=C)c2c1)-c1n[nH]c(=O)[nH]1 |r|
C[C@@H]1CN(C[C@H]1Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1)C(=O)C=C |r|
C[C@H]1CN(C[C@@H]1Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1)C(=O)C=C |r|
Fc1cccc2cc(nc(O[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1 |r|
Fc1cccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1 |r|
Clc1ccc2cc(nc(O[C@H]3CCN(C3)C(=O)C=C)c2c1)-c1n[nH]c(=O)[nH]1 |r|
Fc1ccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c2c1)-c1n[nH]c(=O)[nH]1 |r|
Clc1ccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c2c1)-c1n[nH]c(=O)[nH]1 |r|
Clc1cccc2cc(nc(O[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1 |r|
Clc1cccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1 |r|
COc1cccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1 |r|
Cc1cc(O[C@H]2CCN(C2)C(=O)C=C)nc(c1)-c1n[nH]c(=O)[nH]1 |r|
C=CC(=O)N1CC[C@@H](C1)Oc1cccc(n1)-c1n[nH]c(=O)[nH]1 |r|
Cc1ccc(nc1O[C@H]1CCN(C1)C(=O)C=C)-c1n[nH]c(=O)[nH]1 |r|
ClCC(=O)N1CC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
ClCC(=O)N1CC[C@@H](C1)Nc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
C=CC(=O)N1CCC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
Cc1[nH]c2c(cc(F)c(-c3cccc4N(C[C@@H]5C[C@@H]5c34)C(=O)C=C)c2c1C)C(N)=O |r,wU:16.16,18.17,(-4.6,2.68,;-3.11,3.08,;-2.2,4.33,;-.74,3.85,;.59,4.62,;1.93,3.85,;1.93,2.31,;3.26,1.54,;.59,1.54,;.59,,;-.74,-.77,;-.74,-2.31,;.59,-3.08,;1.93,-2.31,;3.26,-3.08,;4.6,-2.31,;4.6,-.77,;4.6,.77,;3.26,,;1.93,-.77,;3.26,-4.62,;1.93,-5.39,;4.6,-5.39,;4.6,-6.93,;-.74,2.31,;-2.2,1.83,;-2.97,.5,;.59,6.16,;1.93,6.93,;-.74,6.93,)|
Cc1[nH]c2c(cc(F)c(-c3cccc4N(C[C@H]5C[C@@H]5c34)C(=O)C=C)c2c1C)C(N)=O |r,wU:18.17,wD:16.16,(-4.6,2.68,;-3.11,3.08,;-2.2,4.33,;-.74,3.85,;.59,4.62,;1.93,3.85,;1.93,2.31,;3.26,1.54,;.59,1.54,;.59,,;-.74,-.77,;-.74,-2.31,;.59,-3.08,;1.93,-2.31,;3.26,-3.08,;4.6,-2.31,;4.6,-.77,;4.6,.77,;3.26,,;1.93,-.77,;3.26,-4.62,;1.93,-5.39,;4.6,-5.39,;4.6,-6.93,;-.74,2.31,;-2.2,1.83,;-2.97,.5,;.59,6.16,;1.93,6.93,;-.74,6.93,)|
Cc1[nH]c2c(cc(F)c(-c3cccc4N(C[C@@H]5C[C@H]5c34)C(=O)C=C)c2c1C)C(N)=O |r,wU:16.16,wD:18.17,(-4.6,2.68,;-3.11,3.08,;-2.2,4.33,;-.74,3.85,;.59,4.62,;1.93,3.85,;1.93,2.31,;3.26,1.54,;.59,1.54,;.59,,;-.74,-.77,;-.74,-2.31,;.59,-3.08,;1.93,-2.31,;3.26,-3.08,;4.6,-2.31,;4.6,-.77,;4.6,.77,;3.26,,;1.93,-.77,;3.26,-4.62,;1.93,-5.39,;4.6,-5.39,;4.6,-6.93,;-.74,2.31,;-2.2,1.83,;-2.97,.5,;.59,6.16,;1.93,6.93,;-.74,6.93,)|
Cc1[nH]c2c(cc(F)c(-c3cccc4N(C[C@H]5C[C@H]5c34)C(=O)C=C)c2c1C)C(N)=O |r,wD:16.16,18.17,(-4.6,2.68,;-3.11,3.08,;-2.2,4.33,;-.74,3.85,;.59,4.62,;1.93,3.85,;1.93,2.31,;3.26,1.54,;.59,1.54,;.59,,;-.74,-.77,;-.74,-2.31,;.59,-3.08,;1.93,-2.31,;3.26,-3.08,;4.6,-2.31,;4.6,-.77,;4.6,.77,;3.26,,;1.93,-.77,;3.26,-4.62,;1.93,-5.39,;4.6,-5.39,;4.6,-6.93,;-.74,2.31,;-2.2,1.83,;-2.97,.5,;.59,6.16,;1.93,6.93,;-.74,6.93,)|
Cc1[nH]c2c(cc(F)c(Cc3ccc(C=C)nc3)c2c1C)C(N)=O
Cc1[nH]c2c(cc(F)c(N3CCC[C@H](C3)NC(=O)C#C)c2c1C)C(N)=O |r|
Nc1c(cnn1-c1ccc(Oc2ccccc2)c(F)c1)C(=O)c1cc2ccccc2[nH]1
Nc1c(cnn1-c1ccc(Oc2ccccc2)nc1)C(=O)c1cc2ccccc2[nH]1
Nc1c(cnn1-c1ccc(Oc2ccccn2)cc1)C(=O)c1cc2ccccc2[nH]1
Nc1c(cnn1-c1ccc(Oc2cccnc2)cc1)C(=O)c1cc2ccccc2[nH]1
Nc1c(cnn1-c1ccc(Oc2ccccc2)c(Cl)c1)C(=O)c1cc2ccccc2[nH]1
Nc1c(cnn1-c1ccc(Oc2ccc(F)c(F)c2)cc1)C(=O)c1cc2ccccc2[nH]1
COc1cc(ccc1Oc1ccccc1)-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N
Nc1c(cnn1-c1ccc(Oc2ccccc2)c(O)c1)C(=O)c1cc2ccccc2[nH]1
COc1cc(Oc2ccccc2)ccc1-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N
Nc1c(cnn1-c1ccc(Oc2ccccc2)cc1O)C(=O)c1cc2ccccc2[nH]1
CC(C)Oc1ccc(cc1)-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N
Nc1c(cnn1-c1ccc(OC2CCCC2)cc1)C(=O)c1cc2ccccc2[nH]1
CC(C)(C)COc1ccc(cc1)-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N
Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N
Cc1cc(Oc2ccccc2C#N)ccc1-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N
Nc1c(cnn1-c1ccc(Oc2cccc(c2)C#N)cc1Cl)C(=O)c1cc2ccccc2[nH]1
Cc1cc(Oc2cccc(c2)C(N)=O)ccc1-n1ncc(C(=O)c2nc3ccccc3[nH]2)c1N
Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2nc3ccccc3[nH]2)c1N
Nc1c(cnn1-c1ccc(Oc2ccccc2)cc1)C(=O)c1cc2ccc(CN3CCOCC3)cc2[nH]1
NCc1cccc(Oc2ccc(c(Cl)c2)-n2ncc(C(=O)c3cc4ccc(CN5CCOCC5)cc4[nH]3)c2N)c1
C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
NS(=O)(=O)c1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
Clc1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
C[C@](O)(c1ccccc1)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
C[C@@](O)(c1ccccc1)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CC(C)(C)C(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@@H]1OC(=O)N2C[C@@H](OC[C@@H]12)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12 |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(O)(c1cccc(c1)C(F)(F)F)C(F)(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(O)(c3ccccc3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
CC(O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
CC(C)C(C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
CC(O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1ccc(cc1)C(F)(F)F |r|
CC(O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(F)c1 |r|
CC(O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1ccccn1 |r|
CC(O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccnc1 |r|
CC(O)(c1ccc(F)cc1)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
C[C@](O)(c1cccc(c1)C(F)(F)F)c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c(CO)c1 |r|
CCOc1cc(cc(F)c1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(C)(O)c1cccc(c1)C(F)(F)F |r,wU:13.13,wD:16.22,(5.1,-.54,;4.01,.55,;2.52,.15,;1.43,1.24,;1.83,2.73,;.74,3.82,;-.74,3.42,;-1.14,1.93,;-2.48,1.57,;-.05,.84,;-.45,-.64,;.45,-1.89,;-.45,-3.14,;-.05,-4.62,;-1.14,-5.71,;-.74,-7.2,;.74,-7.6,;1.44,-8.97,;2.96,-8.73,;3.2,-7.21,;4.54,-6.44,;1.83,-6.51,;1.43,-5.02,;-1.92,-2.66,;-3.25,-3.43,;-4.58,-2.66,;-4.58,-1.12,;-3.25,-.35,;-3.25,.85,;-1.92,-1.12,;1.14,5.31,;2.63,5.7,;1.54,6.79,;.05,6.39,;.45,7.88,;-.64,8.97,;-2.12,8.57,;-2.52,7.08,;-1.43,6,;-4.01,6.69,;-5.1,7.78,;-4.41,5.2,;-3.61,8.17,)|
CC(O)(c1ccccc1)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
CC(O)(c1ccccc1)c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c(F)c1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)[C@](O)(c3ccccc3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)[C@@](O)(c3ccccc3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(O)(c3cccc(c3)C(F)(F)F)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(O)(c3ccc(cc3)C(F)(F)F)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(O)(c3cccc(F)c3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(O)(c3ccccc3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
CC(O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1ccccc1C(F)(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(O)(c3ccc(F)cc3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)[C@@](O)(c1ccccc1)C(F)(F)F |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(O)(c1ccccc1)C(F)(F)F |r|
Cn1nc(cc1C(F)(F)F)C(C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cc(ccn1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cc(ccn1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C1CC1 |r|
CC(C)(C)c1cccc(c1)[C@@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
CC(C)(C)c1cccc(c1)[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(Cl)c1 |r|
Cc1cc(ccc1C(C)(O)c1cccc(c1)C(F)(F)F)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
COc1cccc(c1)[C@@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
COc1cccc(c1)[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
Cc1cccc(c1)[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
Cc1ccccc1[C@@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
Cc1ccccc1[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
COc1ccccc1[C@@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
COc1ccccc1[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C1CC1 |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(Cl)c1 |r|
Cc1cccc(c1)[C@@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
CC(O)(c1cccc(c1)C(F)(F)F)c1ccc(cc1F)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
CCC(O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(OC(F)(F)F)c1 |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(OC(F)(F)F)c1 |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)-c1ccccc1 |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)-c1ccccc1 |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCCN3C2)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCCN3C2)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
COc1cc(ccc1C(C)(O)c1cccc(c1)C(F)(F)F)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)N1CCOCC1 |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)N1CCOCC1 |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1ccccc1F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1ccccc1F |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(O)c3cccc(c3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
CC(C)c1cccc(c1)[C@@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
CC(C)c1cccc(c1)[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
CC(C)C(O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(CC(F)(F)F)c1 |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(CC(F)(F)F)c1 |r|
C[C@@](O)(c1cccc(c1)C(F)(F)F)c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c(c1)C(F)F |r|
C[C@](O)(c1cccc(c1)C(F)(F)F)c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c(c1)C(F)F |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C1CCC1 |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C1CCC1 |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C#N |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C#N |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(O)(C3CC3)c3cccc(c3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
CC(O)(c1cccc(c1)C(F)(F)F)c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c(c1)C1CC1 |r|
CO[C@](C)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
CO[C@@](C)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
CCc1cccc(c1)[C@@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
CCc1cccc(c1)[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(OC2CC2)c1 |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(OC2CC2)c1 |r|
NC(=O)C(O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
COc1cc(ccc1[C@](C)(O)c1cccc(c1)C1CC1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
COc1cc(ccc1[C@@](C)(O)c1cccc(c1)C1CC1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
CC(O)(c1cccc(c1)C(F)(F)F)c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c(Cl)c1 |r|
C[C@](O)(c1cccc(c1)C(F)(F)F)c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c(F)c1 |r|
C[C@@](O)(c1cccc(c1)C(F)(F)F)c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c(F)c1 |r|
Cc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)[C@@](C)(O)c1cccc(c1)C(F)(F)F |r|
Cc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)[C@](C)(O)c1cccc(c1)C(F)(F)F |r|
CC(O)(c1cccc(c1)C(F)(F)F)c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c(c1)C(F)(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3)[C@@](O)(CO)c3cccc(c3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)[C@](O)(CO)c3cccc(c3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(O)(C(F)F)c3cccc(c3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(C)(C)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(C)(C)C(F)(F)F |r|
C[C@@](O)(c1ccc(s1)C(F)(F)F)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
CN1CC[C@@H]2CC[C@H](CN2C1=O)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12 |r|
CN1CC[C@@H]2CC[C@H](CN2C1=O)c1nc(-c2ccc(cc2)[C@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)c1cccc(c1)C1CC1 |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)c1cccc(c1)C1CC1 |r|
CN1CC[C@H]2CC[C@@H](CN2C1=O)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12 |r|
CC(C)N1C[C@@H]2CC[C@H](CN2C(=O)C1)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12 |r|
CC(C)N1C[C@H]2CC[C@@H](CN2C(=O)C1)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)c1cccc(CC(F)(F)F)c1 |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)c1cccc(CC(F)(F)F)c1 |r|
CC(C)(c1cccc(c1)[C@@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)C(F)(F)F |r|
CC(C)(c1cccc(c1)[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)C(F)(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(O)c3cc(ccc3F)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(O)c3cc(ccc3F)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Cc1ccc(cc1C(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(F)(F)F |r|
CC(F)(F)c1cccc(c1)[C@@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
CC(F)(F)c1cccc(c1)[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)c1cccc(c1)C(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)c1cccc(c1)C(F)F |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cncc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cncc(c1)C(F)(F)F |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(n1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(n1)C(F)(F)F |r|
CC(F)(F)c1cccc(c1)[C@@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12 |r|
CC(F)(F)c1cccc(c1)[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12 |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)[C@@](C)(O)c1cccc(c1)C(F)(F)F |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)[C@](C)(O)c1cccc(c1)C(F)(F)F |r|
CC(O)(C1CC2CCC1CC2)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r,wU:20.22,wD:23.31,(.23,7.48,;.63,6,;-.86,6.39,;2.12,6.39,;2.52,7.88,;4.01,8.28,;5.09,7.19,;4.7,5.7,;3.21,5.31,;4.16,6.08,;4.45,7.2,;.23,4.51,;1.32,3.42,;.92,1.93,;-.56,1.53,;-1.65,2.62,;-1.25,4.11,;-.96,.05,;-.06,-1.2,;-.96,-2.45,;-.56,-3.93,;-1.65,-5.02,;-1.25,-6.51,;.23,-6.91,;.93,-8.28,;2.45,-8.04,;2.69,-6.52,;4.03,-5.75,;1.32,-5.82,;.92,-4.33,;-2.43,-1.97,;-3.76,-2.74,;-5.09,-1.97,;-5.09,-.43,;-3.76,.34,;-3.76,1.88,;-2.43,-.43,)|
CC(O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(OC(F)F)c1 |r|
CC(O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cc(ccc1F)C(F)(F)F |r|
CC(O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)-n1ccnc1 |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)-n1ccnc1 |r|
C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1ccnc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1ccnc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2CC[C@@H]3COCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3COCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(F)cnc(N)c12)c1cccc(c1)C(F)(F)F |r|
CC(O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C1CC1(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2CC[C@H]3N(C2)C(=O)CC3(C)C)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(C)(O)c1cccc(c1)C(F)(F)F |r|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(C)(O)c1cccc(C)c1 |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2CN3[C@H](CCC3=O)CO2)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3N(C2)C(=O)CCC3(F)F)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2CC[C@@H]3N(C2)C(=O)CCC3(F)F)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@@H]3C(CC(=O)N3C2)C(F)(F)F)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(cnc(N)c12)C(F)(F)F)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2CC[C@@H]3COCC(=O)N3C2)n2c(Cl)cnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3COCC(=O)N3C2)n2c(Cl)cnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2CN3[C@H](COCC3=O)CO2)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@@H]3N(C2)C(=O)CC3(C)C)n2ccnc(N)c12)c1cccc(c1)C(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CC(C)(C)C(=O)N3C2)n2c(F)cnc(N)c12)c1cccc(c1)C(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3C(CC(=O)N3C2)C(F)(F)F)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CC(C)(C)C(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3C(CC(=O)N3C2)C(F)(F)F)n2ccnc(N)c12)c1cccc(c1)C(F)F |r|
CC(O)(c1cccc(c1)C(F)(F)F)c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3c(F)cnc(N)c23)c(F)c1 |r|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@@H]3N(C2)C(=O)CC3(C)C)n2ccnc(N)c12)[C@@](C)(O)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2CN3[C@@H](CO2)C(C)(C)OC3=O)n2ccnc(N)c12)c1cccc(c1)C(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@@H]3N(C2)C(=O)CC32CC2)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@@H]3N(C2)C(=O)CC32CC2)n2ccnc(N)c12)c1cccc(c1)C(F)F |r|
CC(O)(c1cccc(c1)C(F)(F)F)c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3c(Cl)cnc(N)c23)c(F)c1 |r|
CC(O)(c1cccc(c1)C(F)(F)F)c1ccc(-c2nc([C@@H]3CC[C@@H]4N(C3)C(=O)CC4(C)C)n3ccnc(N)c23)c(F)c1 |r|
CC(O)(c1cccc(c1)C(F)F)c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c(F)c1 |r|
CC(O)(c1cccc(c1)C(F)(F)F)c1ccc(-c2nc([C@@H]3CC[C@H]4CC(C)(C)C(=O)N4C3)n3ccnc(N)c23)c(F)c1 |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CC(C)(C)C(=O)N3C2)n2c(F)cnc(N)c12)c1cccc(c1)C(F)(F)F |r|
C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(F)cnc(N)c12)c1cccc(c1)C(F)F |r|
CC(O)(c1cccc(c1)C(F)F)c1ccc(-c2nc([C@@H]3CC[C@@H]4N(C3)C(=O)CC4(C)C)n3ccnc(N)c23)c(F)c1 |r|
CC(O)(c1cccc(c1)C(F)F)c1ccc(-c2nc([C@@H]3CC[C@H]4CC(C)(C)C(=O)N4C3)n3ccnc(N)c23)c(F)c1 |r|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(F)cnc(N)c12)[C@@](C)(O)c1cccc(c1)C(F)(F)F |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@@H]3N(C2)C(=O)CC3(C)C)n2ccnc(N)c12)C(C)(O)c1cccc(c1)C(F)(F)F |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CC(C)(C)C(=O)N3C2)n2ccnc(N)c12)[C@@](C)(O)c1cccc(c1)C(F)(F)F |r|
CC(O)(c1cccc(c1)C(F)F)c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3c(F)cnc(N)c23)c(F)c1 |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(O)(c1cccc(c1)C(F)F)C(F)(F)F |r|
CCOc1cc(cc(F)c1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)[C@@](C)(O)c1cccc(c1)C(F)(F)F |r,wU:13.13,30.35,wD:16.22,30.36,(5.1,-.54,;4.01,.55,;2.52,.15,;1.43,1.24,;1.83,2.73,;.74,3.82,;-.74,3.42,;-1.14,1.93,;-2.63,2.33,;-.05,.84,;-.45,-.64,;.45,-1.89,;-.45,-3.14,;-.05,-4.62,;-1.14,-5.71,;-.74,-7.2,;.74,-7.6,;1.44,-8.97,;2.96,-8.73,;3.2,-7.21,;4.54,-6.44,;1.83,-6.51,;1.43,-5.02,;-1.92,-2.66,;-3.25,-3.43,;-4.58,-2.66,;-4.58,-1.12,;-3.25,-.35,;-3.25,1.19,;-1.92,-1.12,;1.14,5.31,;2.63,5.7,;1.54,6.79,;.05,6.39,;.45,7.88,;-.64,8.97,;-2.12,8.57,;-2.52,7.08,;-1.43,6,;-4.01,6.69,;-5.1,7.78,;-4.41,5.2,;-3.61,8.17,)|
CCOc1cc(cc(F)c1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)[C@](C)(O)c1cccc(c1)C(F)(F)F |r,wU:13.13,30.36,wD:16.22,30.35,(5.1,-.54,;4.01,.55,;2.52,.15,;1.43,1.24,;1.83,2.73,;.74,3.82,;-.74,3.42,;-1.14,1.93,;-2.48,2.7,;-.05,.84,;-.45,-.64,;.45,-1.89,;-.45,-3.14,;-.05,-4.62,;-1.14,-5.71,;-.74,-7.2,;.74,-7.6,;1.44,-8.97,;2.96,-8.73,;3.2,-7.21,;4.54,-6.44,;1.83,-6.51,;1.43,-5.02,;-1.92,-2.66,;-3.25,-3.43,;-4.58,-2.66,;-4.58,-1.12,;-3.25,-.35,;-3.25,1.19,;-1.92,-1.12,;1.14,5.31,;2.63,5.7,;1.54,6.79,;.05,6.39,;.45,7.88,;-.64,8.97,;-2.12,8.57,;-2.52,7.08,;-1.43,6,;-4.01,6.69,;-5.1,7.78,;-4.41,5.2,;-3.61,8.17,)|
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(O)(c1cccc(c1)C(F)(F)F)C(F)(F)F |r|
CC(C)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)s4)c3)cc2)c2c(N)nccn12
CC(C)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)nccn12
CC(C)c1nc(-c2ccc(Oc3cc(F)cc(OCc4ccc(C)nc4)c3)cc2)c2c(N)nccn12
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCCC4)n4ccnc(N)c34)c2)s1
Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCCC4)n4ccnc(N)c34)c2)cn1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCCC4)n4ccnc(N)c34)c2)cn1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCOCC4)n4ccnc(N)c34)c2)s1
Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCOCC4)n4ccnc(N)c34)c2)cn1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCOCC4)n4ccnc(N)c34)c2)cn1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC4)n4ccnc(N)c34)c2)s1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC4)n4ccnc(N)c34)c2)cn1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(n4ccnc(N)c34)C3(C)COC3)c2)cn1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc([C@H]4C[C@@](C)(O)C4)n4ccnc(N)c34)c2)cn1 |r,wU:23.23,25.27,wD:25.26,(8.36,-.46,;7.27,.63,;5.78,.23,;4.7,1.32,;5.09,2.8,;4.01,3.89,;2.52,3.49,;1.43,4.58,;1.83,6.07,;.74,7.16,;1.14,8.65,;-.75,6.76,;-1.15,5.27,;-2.63,4.87,;-3.03,3.39,;-1.94,2.3,;-2.34,.81,;-3.83,.41,;-4.92,1.5,;-4.52,2.99,;-4.23,-1.08,;-3.32,-2.32,;-4.23,-3.57,;-3.83,-5.06,;-2.5,-5.83,;-3.27,-7.16,;-1.93,-7.93,;-3.67,-8.65,;-4.6,-6.39,;-5.69,-3.09,;-7.03,-3.86,;-8.36,-3.09,;-8.36,-1.55,;-7.03,-.78,;-7.03,.76,;-5.69,-1.55,;-.06,4.18,;6.58,3.2,;7.67,2.11,)|
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC(O)(CO)C4)n4ccnc(N)c34)c2)s1 |(6.49,-1.11,;6.49,.43,;7.74,1.34,;7.26,2.8,;5.72,2.8,;4.63,3.89,;3.14,3.49,;2.05,4.58,;2.45,6.07,;1.36,7.16,;1.76,8.65,;-.12,6.76,;-.52,5.27,;-2.01,4.87,;-2.41,3.39,;-1.32,2.3,;-1.72,.81,;-3.21,.41,;-4.29,1.5,;-3.9,2.99,;-3.6,-1.08,;-2.7,-2.32,;-3.6,-3.57,;-3.21,-5.06,;-3.98,-6.39,;-2.64,-7.16,;-3.04,-8.65,;-1.1,-7.16,;-.33,-8.49,;-1.87,-5.83,;-5.07,-3.09,;-6.4,-3.86,;-7.74,-3.09,;-7.74,-1.55,;-6.4,-.78,;-6.4,.76,;-5.07,-1.55,;.57,4.18,;5.24,1.34,)|
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(n4ccnc(N)c34)C3(C)COC3)c2)s1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc([C@H]4C[C@@](C)(O)C4)n4ccnc(N)c34)c2)s1 |r,wU:23.23,25.27,wD:25.26,(6.49,-1.18,;6.49,.36,;7.74,1.26,;7.26,2.73,;5.72,2.73,;4.63,3.82,;3.14,3.42,;2.05,4.51,;2.45,5.99,;1.36,7.08,;1.76,8.57,;-.12,6.68,;-.52,5.2,;-2.01,4.8,;-2.41,3.31,;-1.32,2.22,;-1.72,.73,;-3.21,.33,;-4.29,1.42,;-3.9,2.91,;-3.6,-1.15,;-2.7,-2.4,;-3.6,-3.64,;-3.21,-5.13,;-1.87,-5.9,;-2.64,-7.24,;-1.31,-8.01,;-3.41,-8.57,;-3.98,-6.47,;-5.07,-3.17,;-6.4,-3.94,;-7.74,-3.17,;-7.74,-1.63,;-6.4,-.86,;-6.4,.68,;-5.07,-1.63,;.57,4.11,;5.24,1.26,)|
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC(=O)C4)n4ccnc(N)c34)c2)s1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(CCN4CCCC4)n4ccnc(N)c34)c2)cn1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC(O)(CO)C4)n4ccnc(N)c34)c2)cn1 |(8.36,-.46,;7.27,.63,;5.78,.23,;4.7,1.32,;5.09,2.8,;4.01,3.89,;2.52,3.49,;1.43,4.58,;1.83,6.07,;.74,7.16,;1.14,8.65,;-.75,6.76,;-1.15,5.27,;-2.63,4.87,;-3.03,3.39,;-1.94,2.3,;-2.34,.81,;-3.83,.41,;-4.92,1.5,;-4.52,2.99,;-4.23,-1.08,;-3.32,-2.32,;-4.23,-3.57,;-3.83,-5.06,;-4.6,-6.39,;-3.27,-7.16,;-3.67,-8.65,;-1.73,-7.16,;-.96,-8.49,;-2.5,-5.83,;-5.69,-3.09,;-7.03,-3.86,;-8.36,-3.09,;-8.36,-1.55,;-7.03,-.78,;-7.03,.76,;-5.69,-1.55,;-.06,4.18,;6.58,3.2,;7.67,2.11,)|
CN1CCN(CC1)[C@H]1C[C@H](C1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)s4)c3)cc2)c2c(N)nccn12 |r,wU:9.12,7.7,(-1.05,-10.88,;-1.45,-9.39,;-2.93,-8.99,;-3.33,-7.5,;-2.24,-6.42,;-.76,-6.81,;-.36,-8.3,;-2.64,-4.93,;-3.98,-4.16,;-3.21,-2.82,;-1.87,-3.59,;-3.6,-1.34,;-2.7,-.09,;-3.6,1.16,;-3.21,2.64,;-1.72,3.04,;-1.32,4.53,;-2.41,5.62,;-2.01,7.11,;-.52,7.5,;-.12,8.99,;1.36,9.39,;1.76,10.88,;2.45,8.3,;2.05,6.81,;3.14,5.72,;4.63,6.12,;5.72,5.03,;7.26,5.03,;7.74,3.57,;6.49,2.66,;6.49,1.12,;5.24,3.57,;.57,6.42,;-3.9,5.22,;-4.29,3.73,;-5.07,.68,;-6.4,1.45,;-6.4,2.99,;-7.74,.68,;-7.74,-.86,;-6.4,-1.63,;-5.07,-.86,)|
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC(=O)C4)n4ccnc(N)c34)c2)cn1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc([C@@H]4CCCNC4)n4ccnc(N)c34)c2)cn1 |r|
CC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)nccn12 |r|
C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4ccccc4)c3)cc2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(-1.59,-7.93,;-2.92,-7.16,;-3.32,-8.65,;-2.15,-5.83,;-3.49,-5.06,;-4.26,-6.39,;-3.88,-3.57,;-2.98,-2.32,;-3.88,-1.08,;-3.49,.41,;-2,.81,;-1.6,2.3,;-2.69,3.39,;-2.29,4.87,;-.8,5.27,;-.4,6.76,;1.08,7.16,;1.48,8.65,;2.17,6.07,;1.77,4.58,;2.86,3.49,;4.35,3.89,;5.44,2.8,;5.04,1.32,;6.13,.23,;7.62,.63,;8.02,2.11,;6.93,3.2,;.29,4.18,;-4.18,2.99,;-4.57,1.5,;-5.35,-1.55,;-6.68,-.78,;-6.68,.76,;-8.02,-1.55,;-8.02,-3.09,;-6.68,-3.86,;-5.35,-3.09,)|
CC(=O)N1CC(C1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)nccn12
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CNC4)n4ccnc(N)c34)c2)cn1
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc([C@@H]4C[C@H](O)C4)n4ccnc(N)c34)c2)cn1 |r,wU:23.23,25.26,(8.36,-.46,;7.27,.63,;5.78,.23,;4.7,1.32,;5.09,2.8,;4.01,3.89,;2.52,3.49,;1.43,4.58,;1.83,6.07,;.74,7.16,;1.14,8.65,;-.75,6.76,;-1.15,5.27,;-2.63,4.87,;-3.03,3.39,;-1.94,2.3,;-2.34,.81,;-3.83,.41,;-4.92,1.5,;-4.52,2.99,;-4.23,-1.08,;-3.32,-2.32,;-4.23,-3.57,;-3.83,-5.06,;-4.6,-6.39,;-3.27,-7.16,;-2.87,-8.65,;-2.5,-5.83,;-5.69,-3.09,;-7.03,-3.86,;-8.36,-3.09,;-8.36,-1.55,;-7.03,-.78,;-7.03,.76,;-5.69,-1.55,;-.06,4.18,;6.58,3.2,;7.67,2.11,)|
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCNCC4)n4ccnc(N)c34)c2)cn1
CC(=O)N1CCC(CC1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)nccn12
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc([C@@H]4C[C@@H](C4)N4CCOCC4)n4ccnc(N)c34)c2)cn1 |r,wU:23.23,25.28,(8.36,1.02,;7.27,2.11,;5.78,1.71,;4.7,2.8,;5.09,4.29,;4.01,5.38,;2.52,4.98,;1.43,6.07,;1.83,7.56,;.74,8.65,;1.14,10.13,;-.75,8.25,;-1.15,6.76,;-2.63,6.36,;-3.03,4.87,;-1.94,3.79,;-2.34,2.3,;-3.83,1.9,;-4.92,2.99,;-4.52,4.48,;-4.23,.41,;-3.32,-.83,;-4.23,-2.08,;-3.83,-3.57,;-4.6,-4.9,;-3.27,-5.67,;-2.5,-4.34,;-2.87,-7.16,;-3.96,-8.25,;-3.56,-9.74,;-2.07,-10.13,;-.98,-9.04,;-1.38,-7.56,;-5.69,-1.6,;-7.03,-2.37,;-8.36,-1.6,;-8.36,-.06,;-7.03,.71,;-7.03,2.25,;-5.69,-.06,;-.06,5.67,;6.58,4.69,;7.67,3.6,)|
Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc([C@@H]4CCCN(C4)C4COC4)n4ccnc(N)c34)c2)cn1 |r|
CC(C)c1nc(-c2ccc(Oc3cc(F)cc(OCc4ccc(CO)nc4)c3)cc2)c2c(N)nccn12
CC(C)(C)c1nc(C(=O)NCc2cc(F)c(-c3ncnn4cc(N5CCOCC5)cc34)cc2Cl)no1
Cc1c(CNC(=O)c2nc(C(C)(C)C)no2)ccc(-c2ncnn3cc(N4CCOCC4)cc23)c1F
Cc1cc(-c2ncnn3cc(-c4cnn(C)c4)cc23)ccc1CNC(=O)c1nnc(C(C)(C)C(F)F)o1
Cc1cc(-c2ncnn3cc(N4CCN(C)CC4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(N4CCOCC4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(C4=CCOCC4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
COCCn1cc(-c2cc3c(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(C)c4)ncnn3c2)cn1
COC1CN(c2cc3c(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(C)c4)ncnn3c2)C1
Cc1cc(-c2ncnn3cc(-c4ccn(C)n4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(-c4cnn(CC(F)F)c4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(N4CCC(F)C4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(N4CCC(F)(F)C4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)c(F)c2Cl)n1
CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)cc2Cl)no1
Cc1cc(-c2ccnc3cc(-c4cnn(C)c4)nn23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ccnn3cccc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ccnn3cccc23)ccc1CNC(=O)c1nc(C(C)(C)C)no1
Cc1cc(-c2ncnn3ccc(F)c23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cccc23)ccc1CNC(=O)c1coc(C(C)(F)F)n1
Cc1cc(-c2ccnn3ccnc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ccnc3cc(N4CCOCC4)nn23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
CO[C@H]1CCN(c2cc3c(-c4ccc(CNC(=O)c5nc(C(C)(C)C)no5)c(C)c4)ncnn3c2)C1
CO[C@@H]1CCN(c2cc3c(-c4ccc(CNC(=O)c5nc(C(C)(C)C)no5)c(C)c4)ncnn3c2)C1
Cc1c(CNC(=O)c2nc(C(C)(C)C)no2)ccc(-c2ncnn3cc(N4CCN(C)[C@H](C)C4)cc23)c1F
Cc1c(CNC(=O)c2nc(C(C)(C)C)no2)ccc(-c2ncnn3cc(N4CCN(C)[C@@H](C)C4)cc23)c1F
Cc1cc(-c2ncnn3cc(N4CCN(C)[C@H](C)C4)cc23)ccc1CNC(=O)c1nc(C(C)(C)C)no1
Cc1cc(-c2ncnn3cc(N4CCN(C)[C@@H](C)C4)cc23)ccc1CNC(=O)c1nc(C(C)(C)C)no1
Cc1cc(-c2ncnn3cc(N4CCO[C@@H](C)C4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(N4CCO[C@H](C)C4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1c([C@@H](C)NC(=O)c2noc(C(C)(C)C)n2)ccc(-c2ncnn3cc(N4CCOCC4)cc23)c1F
Cc1cc(-c2ncnn3cc(N4CCN(C5COC5)CC4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1c(CNC(=O)c2noc(C(C)(C)CF)n2)ccc(-c2ncnn3cc(-c4cnn(C)c4)cc23)c1F
CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)cc2C(F)(F)F)no1
COc1cc(-c2ncnn3cc(-c4cnn(C)c4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cn1cc(-c2cc3c(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(C(F)F)c4F)ncnn3c2)cn1
CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)cc2C2CC2)no1
Cc1cc(-c2ncnn3cc(-c4ccncc4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(N4C[C@@H](C)O[C@@H](C)C4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(-c4cnn(C)c4)cc23)ccc1CNC(=O)c1noc(C2(C)CC2)n1
Cc1cc(-c2ncnn3cc(-c4cnn(C)c4)cc23)ccc1CNC(=O)c1noc(C(C)(C)CF)n1
Cc1c(CNC(=O)c2noc(C3(C)CC3)n2)ccc(-c2ncnn3cc(-c4cnn(C)c4)cc23)c1F
Cc1cc(-c2ncnn3cc(N4C[C@@H](C)O[C@H](C)C4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(N4C[C@H](C)O[C@@H](C)C4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
COc1c(CNC(=O)c2nc(C(C)(C)C)no2)ccc(-c2ncnn3cc(-c4cnn(C)c4)cc23)c1F
Cc1cc2nccc(-c3ccc(CNC(=O)c4noc(C(C)(C)C)n4)c(C)c3)n2n1
Cc1cc(-c2ccnn3cnnc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cnc(C)c23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3ccc(C)c23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ccnc3ccnn23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(Br)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3ccnc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2c(C#N)cnn3cccc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cncc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc2c(-c3ccc(CNC(=O)c4noc(C(C)(C)C)n4)c(C)c3)ncnn2c1
CC(C)(C)c1nc(C(=O)N[C@@H]2CCCCc3c2ccc(-c2ncnn4cccc24)c3F)no1
Cc1cc(-c2ncnn3cc(-c4cnn(C)c4)cc23)ccc1[C@@H](C)NC(=O)c1nc(C(C)(C)C)no1
COCCOc1cc2c(-c3ccc(CNC(=O)c4noc(C(C)(C)C)n4)c(C)c3)ncnn2c1
C=CC(=O)n1cc(-c2cc3c(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(C)c4)ncnn3c2)cn1
Cc1cc(-c2ncnn3cc(C4CN(C)C4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cn1cc(-c2cc3c(-c4ccc(CNC(=O)c5cnn(C(C)(C)C)c5)c(C(F)(F)F)c4)ncnn3c2)cn1
CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ncnn4cccc34)c(F)c2C2CC2)no1
Cc1c(CNC(=O)c2noc(C(C)(C)C)n2)cc(F)c(-c2ncnn3cccc23)c1F
Cn1cc(-c2cc3c(-c4ccc(CNC(=O)c5cn(C(C)(C)C)nn5)c(C(F)F)c4)ncnn3c2)cn1
CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)cc2CC(F)F)n1
Cn1cc(-c2cc3c(-c4ccc(CNC(=O)c5nc(C(C)(C)C)no5)c(CC(F)F)c4F)ncnn3c2)cn1
Cc1cc(-c2ncnn3cc(C(=O)N(C)C)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(-c4ncccn4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(N4CCN(C)CC4)cc23)ccc1CNC(=O)c1nc(C(C)(C)C)no1
Cc1cc(-c2ncnn3cc(N4CCN(C)C[C@H]4C)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(C4COC4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(C4CCOCC4)cc23)ccc1CNC(=O)c1nc(C(C)(C)C)no1
Cc1cc(-c2ncnn3cc(N4CC(CO)(CO)C4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(C4CC4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(N4CCN(C5COC5)C[C@@H]4C)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
C#Cc1cc2c(-c3ccc(CNC(=O)c4noc(C(C)(C)C)n4)c(C)c3)ncnn2c1
COCc1cc2c(-c3ccc(CNC(=O)c4noc(C(C)(C)C)n4)c(C)c3)ncnn2c1
Cc1cc(-c2ncnn3cc(N4CCOC(C)(C)C4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(OC4CCOCC4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(-c4cnn(C)c4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1c(CNC(=O)c2nnc(C(C)(C)C)o2)ccc(-c2ncnn3cc(N4CCOCC4)cc23)c1F
Cc1c(CNC(=O)c2noc(C(C)(C)C)n2)ccc(-c2ncnc3cc(-c4cnn(C)c4)nn23)c1F
Cc1c(CNC(=O)c2nc(C(C)(C)C)no2)ccc(-c2ccnc3cc(-c4cnn(C)c4)nn23)c1F
Cc1c(CNC(=O)c2noc(C(C)(C)C)n2)ccc(-c2ccnc3cc(N4CCOCC4)nn23)c1F
Cc1cc(-c2ncnn3cc(-c4cn[nH]c4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1c(CNC(=O)c2noc(C(C)(C)C)n2)ccc(-c2ncnn3cc(N4CCOCC4)cc23)c1F
Cc1c(CNC(=O)c2cn(C(C)(C)C)nn2)ccc(-c2ncnn3cc(N4CCOCC4)cc23)c1F
Cc1c(CNC(=O)c2cnn(C(C)(C)C)c2)ccc(-c2ncnn3cc(N4CCOCC4)cc23)c1F
Cc1c(CNC(=O)c2ccn(C(C)(C)C)n2)ccc(-c2ncnn3cc(N4CCOCC4)cc23)c1F
Cc1cc(-c2ncnn3cc(N4CCN(C)C[C@H]4C)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(N4C[C@@H]5C[C@H]4CN5C)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(CC4CCOCC4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(C4CCOC4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(N4CCN(C)C(C)C4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
COC1CCN(c2cc3c(-c4ccc(CNC(=O)c5nc(C(C)(C)C)no5)c(C)c4)ncnn3c2)CC1
Cc1cc(-c2ncnn3cc(N4CCN(C)C(C)C4)cc23)ccc1CNC(=O)c1nnn(C(C)(C)C)n1
COC1CN(c2cc3c(-c4ccc(CNC(=O)c5nc(C(C)(C)C)no5)c(C)c4)ncnn3c2)CC1C
Cc1cc(-c2ncnn3cc(N4CCOC(C(C)C)C4)cc23)ccc1CNC(=O)c1nc(C(C)(C)C)no1
Cc1cc(-c2ncnn3cc(C4=CCSCC4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(C#N)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(C4=CCOCC4)cc23)ccc1CNC(=O)c1nc(C(C)(C)C)no1
Cc1cc(-c2ncnn3cc(-c4cnn(C5COC5)c4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(N4CCOCC4)cc23)ccc1CNC(=O)c1nc(C(C)(C)C)no1
Cc1cc(-c2ncnn3cc(-c4cn(C)nn4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(-c4cnn(C(F)F)c4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(-c4cn(C)nc4C)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(-c4cnn(C)c4C)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(-c4cnco4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(-c4cn(C)nn4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1c(CNC(=O)c2noc(C(C)(C)C)n2)ccc(-c2ncnn3cc(-c4cnn(C)c4)cc23)c1F
Cc1cc(-c2ncnn3cc(-c4cnn(C)c4)cc23)ccc1CNC(=O)c1nnn(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(N4CCOCC4)cc23)ccc1CNC(=O)c1nnn(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(N4CCN(C)[C@@H](C)C4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(N4CCN(C)[C@H](C)C4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1c(CNC(=O)c2nc(C(C)(C)C)no2)ccc(-c2ccnc3cc(N4CCOCC4)nn23)c1F
Cc1cc(-c2ncnn3cc(N4CCn5ccnc5C4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(N4CCn5ccnc5C4)cc23)ccc1CNC(=O)c1nc(C(C)(C)C)no1
Cc1cc(-c2ncnn3cc(N4C[C@@H](F)[C@@H](F)C4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(N4CCN5CC(F)(F)C[C@H]5C4)cc23)ccc1CNC(=O)c1nc(C(C)(C)C)no1
Cc1cc(-c2ncnn3cc(C4=CCOCC4)cc23)ccc1CNC(=O)c1coc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(C4=CCOCC4)cc23)ccc1CNC(=O)c1cnc(C(C)(C)C)o1
Cc1cc(-c2ncnn3cc(C4=CCOCC4)cc23)ccc1CNC(=O)c1ccn(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(C4=CCOCC4)cc23)ccc1CNC(=O)c1nnn(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(-c4cnn(C)c4C)cc23)ccc1CNC(=O)c1nnn(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(-c4cnn(C)c4C)cc23)ccc1CNC(=O)c1coc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(-c4cnn(C)c4C)cc23)ccc1CNC(=O)c1cnc(C(C)(C)C)o1
CC(C)(C)c1nc(C(=O)NCc2cc(F)c(-c3ncnn4cccc34)cc2Cl)no1
CC(C)(C)c1noc(C(=O)NCc2cc(F)c(-c3ncnn4cccc34)cc2Cl)n1
CC(C)(C)c1nc(C(=O)NCc2cc(F)c(-c3ncnn4cccc34)cc2Cl)co1
CC(C)(C)c1cc(C(=O)NCc2cc(F)c(-c3ncnn4cccc34)cc2Cl)no1
CC(C)(C)n1nnc(C(=O)NCc2cc(F)c(-c3ncnn4cccc34)cc2Cl)n1
Cc1cc(-c2ncnn3cc(N4CCO[C@H](C)C4)cc23)ccc1CNC(=O)c1nc(C(C)(C)C)no1
Cc1cc(-c2ncnn3cc(N4CCO[C@@H](C)C4)cc23)ccc1CNC(=O)c1nc(C(C)(C)C)no1
Cc1cc(-c2ncnn3cc(N4CCO[C@H](C)C4)cc23)ccc1CNC(=O)c1nnn(C(C)(C)C)n1
CC1(COC1)C(=O)N1CCO[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12 |r|
CC(=O)N1CCO[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12 |r|
CCC(=O)N1CCO[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12 |r|
COCC(=O)Nc1nccc2c(nn(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C(=O)COC |r|
COCC(=O)N1CCO[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12 |r|
COc1ccnc(NC(=O)c2ccc(cc2)-n2nc([C@H]3CN(CCO3)C(C)=O)c3ccnc(N)c23)c1 |r|
COCC(=O)N1CCO[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(OC)ccn2)c2c(N)nccc12 |r|
COc1ccnc(NC(=O)c2ccc(cc2)-n2nc([C@H]3CN(CCO3)C(=O)C3(C)COC3)c3ccnc(N)c23)c1 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12 |r|
Cc1n[nH]cc1C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12 |r|
CCC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12 |r|
Nc1nccc2c(nn(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1CC1(F)F |r|
Nc1nccc2c(nn(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)c1cnon1 |r|
Nc1nccc2c(nn(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)CC1CCC1 |r|
Cc1noc(C)c1C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12 |r|
COCCC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12 |r|
Nc1nccc2c(nn(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1CC(F)(F)C1 |r|
COCC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12 |r|
CC(C)C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12 |r|
Nc1nccc2c(nn(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1CCC1 |r|
CC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12 |r|
CCOCC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12 |r|
COCCOCC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12 |r|
Nc1nccc2c(nn(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1CC1 |r|
Nc1nccc2c(nn(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1(O)CC1 |r|
CC1(CC1)C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12 |r|
C[C@H](CN(C)C(=O)C1(CC1)C#N)c1nn(c(C(N)=N)c1C)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
COc1ccnc(NC(=O)c2ccc(cc2)-n2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)c3ccnc(N)c23)c1 |r|
COc1ccnc(NC(=O)c2ccc(cc2)-n2nc([C@@H]3CCCN(C3)C(=O)C(C)(CO)CO)c3ccnc(N)c23)c1 |r|
C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccc12 |r|
C[C@H]1CC[C@H](CN1C(=O)C1CC1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccc12 |r|
C[C@H](O)C(=O)N1C[C@@H](CC[C@@H]1C)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccc12 |r|
CO[C@@H](C)C(=O)N1C[C@@H](CC[C@@H]1C)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccc12 |r|
C[C@H]1CC[C@H](CN1C(=O)C1CC1)c1nn(-c2ccc(cc2)C(=O)Nc2cccc(OC3CC3)c2)c2c(N)nccc12 |r|
C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nn(-c2ccc(cc2)C(=O)Nc2cccc(OC3CC3)c2)c2c(N)nccc12 |r|
C[C@@H](O)C(=O)N1C[C@@H](CC[C@@H]1C)c1nn(-c2ccc(cc2)C(=O)Nc2cccc(OC3CC3)c2)c2c(N)nccc12 |r|
COc1cc(ccc1-n1nc([C@@H]2CC[C@H](C)N(C2)C(=O)C2CC2)c2ccnc(N)c12)C(=O)Nc1cccc(c1)C(F)(F)F |r|
Nc1nccc(C(=N)[C@@H]2CC[C@H]3CCC(=O)N3C2)c1Nc1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Nc1nccc2c(nn(-c3ccc(cc3OC3CC3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
COc1cc(ccc1-n1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)c2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cc(ccc1-n1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)c2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Cc1cc(-c2ncnn3cc(N4CCO[C@@H](C)C4)cc23)ccc1CNC(=O)c1nnn(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(N4CC[C@H](F)C4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(N4CC[C@@H](F)C4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(N4CCO[C@H](C)C4)cc23)ccc1CNC(=O)c1coc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(N4CCO[C@@H](C)C4)cc23)ccc1CNC(=O)c1coc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(-c4cnn(CC(F)F)c4)cc23)ccc1CNC(=O)c1cnn(C(C)(C)C)c1
Cc1cc(-c2ncnn3cc(-c4cnn(CC(F)F)c4)cc23)ccc1CNC(=O)c1nnn(C(C)(C)C)n1
CC=CC(=O)n1cc(-c2cc3c(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(C)c4)ncnn3c2)cn1
Cc1cc(-c2ncnn3cc(N4CC5CC(C4)N5C)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(C4CCN(C)C4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(-c4cnn(C5CC5)c4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cccc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cccc23)ccc1CNC(=O)c1nc(C(C)(C)C)no1
CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ncnn4cccc34)c(F)c2C2CC2)n1
CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)c(F)c2Cl)no1
CC(C)(C)n1cc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)c(F)c2Cl)cn1
CC(C)(C)c1nnc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)c(F)c2Cl)o1
CC(C)(C)n1cc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)c(F)c2Cl)nn1
CC(C)(C)n1ccc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)c(F)c2Cl)n1
CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)cc2Cl)n1
CC(C)(C)n1cc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)cc2Cl)cn1
CC(C)(C)c1nnc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)cc2Cl)o1
CC(C)(C)n1cc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)cc2Cl)nn1
CC(C)(C)c1nnc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)c(F)c2C2CC2)o1
CC(C)(C)n1cc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)c(F)c2C2CC2)nn1
Cc1cc(-c2ncnn3cc(-c4cnn(C)c4)cc23)ccc1CNC(=O)c1nnc(C(C)(C)C)o1
Cc1cc(-c2ncnn3cc(-c4cnn(C)c4)cc23)ccc1CNC(=O)c1cn(C(C)(C)C)nn1
Cc1cc(-c2ncnn3cc(-c4cnn(C)c4)cc23)ccc1CNC(=O)c1cnn(C(C)(C)C)c1
Cc1cc(-c2ncnn3cc(-c4cnn(C)c4)cc23)ccc1CNC(=O)c1ccn(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(-c4cccnc4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2cc3c(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(C)c4)ncnn3c2)cnn1
Cc1cc(-c2cc3c(-c4ccc(CNC(=O)c5nc(C(C)(C)C)no5)c(C)c4)ncnn3c2)cnn1
Cc1cc(-c2ncnn3cc(-c4cnsc4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(-c4cnsc4)cc23)ccc1CNC(=O)c1nc(C(C)(C)C)no1
COCCN(C)c1cc2c(-c3ccc(CNC(=O)c4noc(C(C)(C)C)n4)c(C)c3)ncnn2c1
Cc1cc(-c2ncnn3cc(N4CCOCC4)cc23)ccc1CNC(=O)c1ccn(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(N4CCOCC4)cc23)ccc1CNC(=O)c1coc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(N4CCN(C)C(=O)C4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ncnn4cccc34)cc2Cl)no1
Cc1cc(-c2ncnn3cccc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
COc1c(CNC(=O)c2noc(C(C)(C)C)n2)ccc(-c2ncnn3cccc23)c1F
CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ncnn4cccc34)cc2C(F)F)no1
Cc1cc(-c2ncnn3cccc23)ccc1CNC(=O)c1ccn(C(C)(C)C)n1
Cc1cc(-c2ncnn3cccc23)ccc1CNC(=O)c1cnn(C(C)(C)C)c1
Cc1cc(-c2ncnn3cccc23)ccc1CNC(=O)c1cn(C(C)(C)C)nn1
Cc1cc(-c2ncnn3cccc23)ccc1CNC(=O)c1nnc(C(C)(C)C)o1
CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)cc2C(F)(F)F)n1
CC(C)(C)n1cc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)cc2C(F)(F)F)nn1
COc1cc(-c2ncnn3cc(-c4cnn(C)c4)cc23)ccc1CNC(=O)c1cn(C(C)(C)C)nn1
COc1cc(-c2ncnn3cc(-c4cnn(C)c4)cc23)ccc1CNC(=O)c1nc(C(C)(C)C)no1
Cn1cc(-c2cc3c(-c4ccc(CNC(=O)c5nc(C(C)(C)C)no5)c(C(F)F)c4)ncnn3c2)cn1
Cn1cc(-c2cc3c(-c4ccc(CNC(=O)c5nnc(C(C)(C)C)o5)c(C(F)F)c4)ncnn3c2)cn1
CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)cc2C(F)F)n1
CC(C)(C)c1nnc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)cc2C(F)F)o1
Cn1cc(-c2cc3c(-c4ccc(CNC(=O)c5nc(C(C)(C)C)no5)c(C(F)F)c4F)ncnn3c2)cn1
Cn1cc(-c2cc3c(-c4ccc(CNC(=O)c5cn(C(C)(C)C)nn5)c(C(F)F)c4F)ncnn3c2)cn1
Cn1cc(-c2cc3c(-c4ccc(CNC(=O)c5nnc(C(C)(C)C)o5)c(C(F)F)c4F)ncnn3c2)cn1
COc1cc(-c2ncnn3cc(-c4cnn(C)c4)cc23)ccc1CNC(=O)c1nnc(C(C)(C)C)o1
CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)cc2C(F)F)co1
CC(C)(C)c1nnc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)c(F)c2C(F)F)o1
COc1c(CNC(=O)c2cn(C(C)(C)C)nn2)ccc(-c2ncnn3cc(-c4cnn(C)c4)cc23)c1F
COc1c(CNC(=O)c2nnc(C(C)(C)C)o2)ccc(-c2ncnn3cc(-c4cnn(C)c4)cc23)c1F
COc1c(CNC(=O)c2ccn(C(C)(C)C)n2)ccc(-c2ncnn3cc(N4CCOCC4)cc23)c1F
COc1c(CNC(=O)c2nc(C(C)(C)C)no2)ccc(-c2ncnn3cc(N4CCOCC4)cc23)c1F
C[C@@H](NC(=O)c1nnc(C(C)(C)C)o1)c1ccc(-c2ncnn3cc(N4CCOCC4)cc23)cc1Cl
CC(C)(C)n1cc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)cc2C2CC2)nn1
CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)cc2C2CC2)n1
Cn1cc(-c2cc3c(-c4ccc(CNC(=O)c5nc(C(C)(C)C)no5)c(CC(F)F)c4)ncnn3c2)cn1
CC(C)(C)n1cc(C(=O)NCc2ccc(-c3ncnn4cc(C5=CCOCC5)cc34)cc2C(F)F)cn1
CC(C)(C)n1cc(C(=O)NCc2ccc(-c3ncnn4cc(-c5cnn(CC(F)F)c5)cc34)cc2C(F)F)cn1
CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ncnn4cc(-c5cnn(CC(F)F)c5)cc34)cc2C(F)F)co1
Cn1cc(-c2cc3c(-c4ccc(CNC(=O)c5coc(C(C)(C)C)n5)c(C(F)F)c4)ncnn3c2)cn1
Cn1cc(-c2cc3c(-c4ccc(CNC(=O)c5cnn(C(C)(C)C)c5)c(C(F)F)c4)ncnn3c2)cn1
CC(C)(C)c1nnc(C(=O)NCc2ccc(-c3ncnn4cc(C5=CCOCC5)cc34)cc2C(F)F)o1
Cc1cc(-c2ncnn3cccc23)ccc1CNC(=O)c1nnn(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(C(=O)N4CCOCC4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(C(=O)N4CCN(C)CC4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
COC1CN(C(=O)c2cc3c(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(C)c4)ncnn3c2)C1
Cc1c(CNC(=O)c2noc(C(C)(C)C)n2)ccc(-c2ncnn3cccc23)c1F
Cn1cc(-c2cc3c(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(C(F)F)c4)ncnn3c2)cn1
CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)cc2C(F)F)no1
CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)c(F)c2C(F)F)no1
CC(C)(C)c1coc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)cc2C(F)F)n1
COc1c(CNC(=O)c2noc(C(C)(C)C)n2)ccc(-c2ncnn3cc(N4CCOCC4)cc23)c1F
Cc1cc(-c2ncnn3cc(-c4ccc(F)cc4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(-c4ccc(C#N)cc4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(-c4cncnc4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2cc3c(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(C)c4)ncnn3c2)ccn1
Cc1cc(-c2cc3c(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(C)c4)ncnn3c2)ccn1
Cc1cc(-c2ncnn3cc(N4CCOCC4C)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ncnn3cc(-c4ccccn4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cn1cc(-c2cc3c(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(CC(F)F)c4)ncnn3c2)cn1
CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)cc2CC(F)F)no1
Cn1cc(-c2cc3c(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(CC(F)F)c4F)ncnn3c2)cn1
CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ncnn4cc(N5CCOCC5)cc34)c(F)c2CC(F)F)no1
COc1c(CNC(=O)c2noc(C(C)(C)C)n2)ccc(-c2ncnn3cc(-c4cnn(C)c4)cc23)c1F
CCn1cc(-c2cc3c(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(C)c4)ncnn3c2)cn1
Cc1cc(-c2ncnn3cc(-c4cnn(C5CC5)c4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
CCn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2cc3CCCC[C@@H](NC(=O)c4nnc(o4)C(C)(C)C)c3cn2)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CC(O)C2)NC(=O)c2nnc(s2)C(C)(C)C)cn1 |(7.53,-4.6,;5.99,-4.6,;5.08,-5.85,;3.62,-5.37,;2.28,-6.14,;.95,-5.37,;-.38,-6.14,;-1.72,-5.37,;-1.72,-3.83,;-.38,-3.06,;.95,-3.83,;-.38,-1.52,;.95,-.75,;.95,.79,;-.49,1.53,;-.49,3.17,;-1.69,4.13,;-3.19,3.79,;-3.86,2.4,;-3.19,1.02,;-1.69,.67,;-1.72,-.75,;-5.35,2.8,;-6.12,4.14,;-7.45,3.37,;-8.94,3.76,;-6.68,2.03,;.83,3.98,;2.18,3.24,;2.21,1.7,;3.49,4.04,;3.49,5.58,;4.96,6.06,;5.86,4.81,;4.96,3.57,;7.4,4.81,;8.17,6.14,;8.17,3.48,;8.94,4.81,;3.62,-3.83,;5.08,-3.36,)|
CN1CC[C@@H](NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2CCOC2)NC(=O)C2=NC(N=N2)C(C)(C)C)cn1 |r,c:37,t:34|
Cn1cc(Nc2cc(ccn2)-c2cc3CCCCC(NC(=O)c4cn(nn4)C(C)(C)C)c3cn2)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
CCn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CN(CCc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)\C=C\CN1CCCC1 |r|
CN(C)CC#CC(=O)N1CCCC1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
C[C@H](NC(=O)c1ccnc(Cl)n1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(C(=O)Nc4ccccn4)c(F)c3)c12)C1CCCN1C(=O)C=C
C[C@H](NC(=O)C=C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(C(O)=O)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
Cc1cc2[nH]nc(N)c2cc1-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(C(N)=O)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(c5[nH]nc(N)c5c4)C(F)(F)F)c3CO)c2=O)c1
Cn1nc(N)c2cc(cc(C(N)=O)c12)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
CC(C)n1cc(cn1)-c1cc(cc2c(N)n[nH]c12)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Cc1c(NC(=O)c2ccc(cc2F)C(C)(C)C)cccc1-c1cc(C(N)=O)c2[nH]nc(N)c2c1
Cc1c(NC(=O)c2ccc(cc2F)C(C)(C)C(F)(F)F)cccc1-c1cc(C(N)=O)c2[nH]nc(N)c2c1
Cn1cc(cn1)-c1cc(cc2c(N)n[nH]c12)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(-c5cccnc5)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
CNC(=O)c1cc(cc2c(N)n[nH]c12)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4ccc5n(Cc6ccncc6)nc(N)c5c4)c3CO)c2=O)c1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(-c2cnn(C)c2)c2[nH]nc(N)c2c1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(C(=O)N5CCOCC5)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
Cc1c(NC(=O)c2ccc(cc2F)C(C)(C)C)cccc1-c1cc(-c2cnn(C)c2)c2[nH]nc(N)c2c1
CC(C)(C)c1cc(F)c2C(=O)N(CCc2c1)c1cccc(-c2cc(C(N)=O)c3[nH]nc(N)c3c2)c1CO
CC(C)n1ccc(n1)-c1cc(cc2c(N)n[nH]c12)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Cn1cc(cn1)-c1cc(cc2c(N)n[nH]c12)-c1cccc(NC(=O)c2cc3CCCCc3s2)c1CO
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(-c5ccccc5)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4ccc5[nH]nc(N)c5n4)c3CO)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc5c(N)n[nH]c5cn4)c3CO)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(-c5ccccn5)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(-c5cnn(CC(O)=O)c5)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(-c5cnn(c5)C(C)(C)C(O)=O)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-c3cc(-c4cnn(c4)C4CCOCC4)c4[nH]nc(N)c4c3)c2=O)c1
COCCn1cc(cn1)-c1cc(cc2c(N)n[nH]c12)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Cc1nn(C)cc1-c1cc(cc2c(N)n[nH]c12)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(-c5cnn6CCCCc56)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)CC1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)cc(c1)C(F)(F)F
CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)cc(c1)C(F)(F)F
CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)cc1C(F)(F)F
Cc1ccc(cc1NC(=O)c1cncc(c1)-c1cccs1)C(=O)Nc1cccc(c1)C(C)(C)C#N
Cc1ccc(cc1NC(=O)c1cncc(c1)-c1cccs1)C(=O)Nc1cc(cc(c1)N1CCOCC1)N1CCOCC1
CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cncc(c3)-c3cnoc3)c2)CC1
CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cncc(c3)-c3cnn(C)c3)c2)CC1
Cc1[nH]c2c(ccc(-c3cccc(NC(=O)C4(C)CC4)c3C)c2c1C)C(N)=O
CN([C@H]1CCN(C1)C(=O)C=O)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
CC(C)(O)C1CCc2c(C1)[nH]c1c(ccc(-c3cccc(NC(=O)C=C)c3)c21)C(N)=O
CN(c1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O)S(=O)(=O)C=C
Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CC(C)(C)CCc3c12
Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
CC(C)(O)C1CCc2c(C1)[nH]c1c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O
Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.75,-1.93,;2.42,-2.69,;2.42,-4.23,;3.75,-5,;5.09,-4.23,;5.09,-2.69,;6.42,-5,;7.75,-4.23,;1.08,-5,;-.25,-4.23,;-.25,-2.69,;1.08,-1.93,;1.08,-.38,;2.42,.38,;3.75,-.38,;2.42,1.93,;1.08,2.69,;1.08,4.23,;2.42,5,;-.25,5,;-.25,1.93,;-1.71,2.4,;-2.62,1.15,;-4.15,.99,;-4.78,-.41,;-3.87,-1.66,;-2.34,-1.5,;-1.71,-.09,;-.25,.38,;-6.26,-.81,;-7.75,-.41,;-6.66,.68,;-6.66,-2.3,)|
Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CC(CO)CCc3c12
Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(CO)CCc3c12 |(3.21,-1.93,;1.87,-2.69,;1.87,-4.23,;3.21,-5,;4.54,-4.23,;4.54,-2.69,;5.87,-5,;7.21,-4.23,;.54,-5,;-.79,-4.23,;-.79,-2.69,;.54,-1.93,;.54,-.38,;1.87,.38,;3.21,-.38,;1.87,1.93,;.54,2.69,;.54,4.23,;1.87,5,;-.79,5,;-.79,1.93,;-2.26,2.4,;-3.16,1.15,;-4.7,.99,;-5.32,-.41,;-6.81,-.81,;-7.21,-2.3,;-4.42,-1.66,;-2.89,-1.5,;-2.26,-.09,;-.79,.38,)|
Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(CCc3c12)C(N)=O |(3.55,-1.93,;2.22,-2.69,;2.22,-4.23,;3.55,-5,;4.89,-4.23,;4.89,-2.69,;6.22,-5,;7.55,-4.23,;.88,-5,;-.45,-4.23,;-.45,-2.69,;.88,-1.93,;.88,-.38,;2.22,.38,;3.55,-.38,;2.22,1.93,;.88,2.69,;.88,4.23,;2.22,5,;-.45,5,;-.45,1.93,;-1.91,2.4,;-2.82,1.15,;-4.35,.99,;-4.98,-.41,;-4.07,-1.66,;-2.54,-1.5,;-1.91,-.09,;-.45,.38,;-6.46,-.81,;-6.86,-2.3,;-7.55,.28,)|
Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
C\C=C\C(=O)Nc1cccc(c1C)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(8.42,-5,;7.09,-4.23,;5.75,-5,;4.42,-4.23,;4.42,-2.69,;3.08,-5,;1.75,-4.23,;.42,-5,;-.92,-4.23,;-.92,-2.69,;.42,-1.93,;1.75,-2.69,;3.08,-1.93,;.42,-.38,;1.75,.38,;3.08,-.38,;1.75,1.93,;.42,2.69,;.42,4.23,;1.75,5,;-.92,5,;-.92,1.93,;-2.38,2.4,;-3.29,1.15,;-4.82,.99,;-5.44,-.41,;-4.54,-1.66,;-3.01,-1.5,;-2.38,-.09,;-.92,.38,;-6.93,-.81,;-8.42,-.41,;-6.93,.73,;-7.33,-2.3,)|
Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CCCCc3c12
Cc1c(NS(=O)(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(N)=O
Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C#N
Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(O)CO
CC(C)Nc1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)C=C)c3C)c21)C(N)=O
CN(C)C(=O)C1CCc2c(C1)[nH]c1c(ccc(-c3cccc(NC(=O)C=C)c3C)c21)C(N)=O
CN(C(=O)C=C)c1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
CN(C(=O)C=C)c1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3CC(CO)CCc3c12
CN(C)C(=O)C1CCc2c(C1)[nH]c1c(ccc(-c3cccc(N(C)C(=O)C=C)c3C)c21)C(N)=O
CN(c1cccc(c1C)-c1c(F)cc(C(N)=O)c2[nH]c3C[C@@H](CCc3c12)C(C)(C)O)S(=O)(=O)C=C |r,wU:21.29,(3.75,-5.78,;3.75,-4.23,;2.42,-3.47,;1.08,-4.23,;-.25,-3.47,;-.25,-1.93,;1.08,-1.15,;2.42,-1.93,;3.75,-1.15,;1.08,.38,;2.42,1.15,;3.75,.39,;2.42,2.69,;1.08,3.47,;1.08,5,;2.42,5.78,;-.25,5.78,;-.25,2.69,;-1.71,3.17,;-2.62,1.93,;-4.15,1.76,;-4.78,.36,;-3.87,-.89,;-2.34,-.73,;-1.71,.68,;-.25,1.15,;-6.26,-.04,;-6.66,1.45,;-7.75,.36,;-6.66,-1.53,;5.09,-3.47,;4.32,-2.13,;5.86,-2.13,;6.42,-4.23,;7.75,-3.47,)|
CN(c1cccc(c1C)-c1c(Cl)cc(C(N)=O)c2[nH]c3C[C@@H](CCc3c12)C(C)(C)O)S(=O)(=O)C=C |r,wU:21.29,(3.75,-5.78,;3.75,-4.23,;2.42,-3.47,;1.08,-4.23,;-.25,-3.47,;-.25,-1.93,;1.08,-1.15,;2.42,-1.93,;3.75,-1.15,;1.08,.38,;2.42,1.15,;3.75,.39,;2.42,2.69,;1.08,3.47,;1.08,5,;2.42,5.78,;-.25,5.78,;-.25,2.69,;-1.71,3.17,;-2.62,1.93,;-4.15,1.76,;-4.78,.36,;-3.87,-.89,;-2.34,-.73,;-1.71,.68,;-.25,1.15,;-6.26,-.04,;-6.66,1.45,;-7.75,.36,;-6.66,-1.53,;5.09,-3.47,;4.32,-2.13,;5.86,-2.13,;6.42,-4.23,;7.75,-3.47,)|
CN(c1cccc(c1)-c1c(F)cc(C(N)=O)c2[nH]c3C[C@@H](CCc3c12)C(C)(C)O)S(=O)(=O)C=C |r|
CN(c1cccc(c1)-c1c(Cl)cc(C(N)=O)c2[nH]c3C[C@@H](CCc3c12)C(C)(C)O)S(=O)(=O)C=C |r|
CN(c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O)S(=O)(=O)C=C
CN(c1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)S(=O)(=O)C=C
CN(c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)S(=O)(=O)C=C
Cc1c(NS(=O)(=O)C=C)cccc1-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.75,-1.93,;2.42,-2.69,;2.42,-4.23,;3.75,-5,;5.09,-4.23,;4.32,-2.9,;5.86,-2.9,;6.42,-5,;7.75,-4.23,;1.08,-5,;-.25,-4.23,;-.25,-2.69,;1.08,-1.93,;1.08,-.38,;2.42,.38,;3.75,-.38,;2.42,1.93,;1.08,2.69,;1.08,4.23,;2.42,5,;-.25,5,;-.25,1.93,;-1.71,2.4,;-2.62,1.15,;-4.15,.99,;-4.78,-.41,;-3.87,-1.66,;-2.34,-1.5,;-1.71,-.09,;-.25,.38,;-6.26,-.81,;-6.66,.68,;-7.75,-.41,;-6.66,-2.3,)|
CN(c1cccc(c1C)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)S(=O)(=O)C=C |(3.75,-5.78,;3.75,-4.23,;2.42,-3.47,;1.08,-4.23,;-.25,-3.47,;-.25,-1.93,;1.08,-1.15,;2.42,-1.93,;3.75,-1.15,;1.08,.38,;2.42,1.15,;3.75,.39,;2.42,2.69,;1.08,3.47,;1.08,5,;2.42,5.78,;-.25,5.78,;-.25,2.69,;-1.71,3.17,;-2.62,1.93,;-4.15,1.76,;-4.78,.36,;-3.87,-.89,;-2.34,-.73,;-1.71,.68,;-.25,1.15,;-6.26,-.04,;-6.66,1.45,;-7.75,.36,;-6.66,-1.53,;5.09,-3.47,;4.32,-2.13,;5.86,-2.13,;6.42,-4.23,;7.75,-3.47,)|
CN(c1cccc(c1)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)S(=O)(=O)C=C
Cc1c(NS(=O)(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
CC(C)(O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O
CC(C)(O)c1ccc2c(c1)[nH]c1c(cc(F)c(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O
CN(C(=O)C=C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
CN(C(=O)C=C)c1cccc(c1)-c1c(F)cc(C(N)=O)c2[nH]c3C[C@@H](CCc3c12)C(C)(C)O |r|
CN(C(=O)C=C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
CN(C(=O)C=C)c1cccc(c1)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
CN(C(=O)C=C)c1cccc(c1)-c1c(Cl)cc(C(N)=O)c2[nH]c3C[C@@H](CCc3c12)C(C)(C)O |r|
CC(C)(O)[C@H]1CCc2c(C1)[nH]c1c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O |r|
CC(C)(O)[C@@H]1CCc2c(C1)[nH]c1c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O |r|
CN(C(=O)C=C)c1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
CC(C)(O)[C@@H]1CCc2c(C1)[nH]c1c(cc(F)c(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O |r|
Cc1c(NS(=O)(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3C[C@@H](CCc3c12)C(C)(C)O |r,wU:25.33,(3.75,-1.93,;2.42,-2.69,;2.42,-4.23,;3.75,-5,;5.09,-4.23,;4.32,-2.9,;5.86,-2.9,;6.42,-5,;7.75,-4.23,;1.08,-5,;-.25,-4.23,;-.25,-2.69,;1.08,-1.93,;1.08,-.38,;2.42,.38,;3.75,-.38,;2.42,1.93,;1.08,2.69,;1.08,4.23,;2.42,5,;-.25,5,;-.25,1.93,;-1.71,2.4,;-2.62,1.15,;-4.15,.99,;-4.78,-.41,;-3.87,-1.66,;-2.34,-1.5,;-1.71,-.09,;-.25,.38,;-6.26,-.81,;-6.66,.68,;-7.75,-.41,;-6.66,-2.3,)|
CN(c1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O)S(=O)(=O)C=C
CN(c1cccc(c1Cl)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O)S(=O)(=O)C=C
Cc1c(NS(=O)(=O)C=C)cccc1-c1c(F)cc(C(N)=O)c2[nH]c3C[C@@H](CCc3c12)C(C)(C)O |r,wU:25.33,(3.75,-1.93,;2.42,-2.69,;2.42,-4.23,;3.75,-5,;5.09,-4.23,;4.32,-2.9,;5.86,-2.9,;6.42,-5,;7.75,-4.23,;1.08,-5,;-.25,-4.23,;-.25,-2.69,;1.08,-1.93,;1.08,-.38,;2.42,.38,;3.75,-.38,;2.42,1.93,;1.08,2.69,;1.08,4.23,;2.42,5,;-.25,5,;-.25,1.93,;-1.71,2.4,;-2.62,1.15,;-4.15,.99,;-4.78,-.41,;-3.87,-1.66,;-2.34,-1.5,;-1.71,-.09,;-.25,.38,;-6.26,-.81,;-6.66,.68,;-7.75,-.41,;-6.66,-2.3,)|
NC(=O)c1ccc(-c2cccc(NS(=O)(=O)C=C)c2)c2c3CCCCc3[nH]c12
Cc1c(NS(=O)(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CCCCc3c12
COc1ccc(cc1NC(=O)C=C)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
CC(C)(O)C1CCc2c(C1)[nH]c1c(ccc(-c3ccc(OC(F)(F)F)c(NC(=O)C=C)c3)c21)C(N)=O
CC(C)(O)C1CCc2c(C1)[nH]c1c(ccc(-c3ccc(F)c(NC(=O)C=C)c3)c21)C(N)=O
CC1CCc2c(C1)[nH]c1c(ccc(-c3cccc(NC(=O)C=C)c3C)c21)C(N)=O
Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(F)(F)F
Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(C)(CO)CCc3c12 |(2.81,-1.92,;1.47,-2.69,;1.47,-4.24,;2.81,-5.01,;4.14,-4.24,;4.14,-2.7,;5.48,-5.01,;6.81,-4.24,;.14,-5.01,;-1.19,-4.24,;-1.19,-2.69,;.14,-1.92,;.14,-.38,;1.47,.39,;2.81,-.38,;1.47,1.93,;.14,2.7,;.14,4.24,;1.47,5.01,;-1.19,5.01,;-1.19,1.93,;-2.66,2.4,;-3.56,1.16,;-5.09,.99,;-5.72,-.41,;-6.74,.36,;-6.81,-1.5,;-6.41,-2.99,;-4.82,-1.66,;-3.28,-1.5,;-2.66,-.09,;-1.19,.39,)|
CN(C)C(=O)C1CCc2c(C1)[nH]c1c(cc(Cl)c(-c3cccc(NC(=O)C=C)c3C)c21)C(N)=O |(-5.38,-3.39,;-6.46,-2.3,;-7.95,-2.7,;-6.07,-.81,;-7.15,.28,;-4.58,-.41,;-3.67,-1.66,;-2.14,-1.5,;-1.51,-.09,;-2.42,1.15,;-3.95,.99,;-1.51,2.4,;-.05,1.93,;1.28,2.69,;2.62,1.93,;2.62,.38,;3.95,-.38,;1.28,-.38,;1.28,-1.93,;-.05,-2.69,;-.05,-4.23,;1.28,-5,;2.62,-4.23,;3.95,-5,;5.28,-4.23,;5.28,-2.69,;6.62,-5,;7.95,-4.23,;2.62,-2.69,;3.95,-1.93,;-.05,.38,;1.28,4.23,;2.62,5,;-.05,5,)|
Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O |(3.75,-1.93,;2.42,-2.69,;2.42,-4.23,;3.75,-5,;5.09,-4.23,;5.09,-2.69,;6.42,-5,;7.75,-4.23,;1.08,-5,;-.25,-4.23,;-.25,-2.69,;1.08,-1.93,;1.08,-.38,;2.42,.38,;3.75,-.38,;2.42,1.93,;1.08,2.69,;1.08,4.23,;2.42,5,;-.25,5,;-.25,1.93,;-1.71,2.4,;-2.62,1.15,;-4.15,.99,;-4.78,-.41,;-3.87,-1.66,;-2.34,-1.5,;-1.71,-.09,;-.25,.38,;-6.26,-.81,;-6.26,.73,;-7.75,-.41,;-6.66,-2.3,)|
Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O |(3.75,-1.93,;2.42,-2.69,;2.42,-4.23,;3.75,-5,;5.09,-4.23,;5.09,-2.69,;6.42,-5,;7.75,-4.23,;1.08,-5,;-.25,-4.23,;-.25,-2.69,;1.08,-1.93,;1.08,-.38,;2.42,.38,;3.75,-.38,;2.42,1.93,;1.08,2.69,;1.08,4.23,;2.42,5,;-.25,5,;-.25,1.93,;-1.71,2.4,;-2.62,1.15,;-4.15,.99,;-4.78,-.41,;-3.87,-1.66,;-2.34,-1.5,;-1.71,-.09,;-.25,.38,;-6.26,-.81,;-7.75,-.41,;-6.73,.73,;-6.66,-2.3,)|
Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(C)(CCc3c12)C(C)(C)O |(3.75,-1.93,;2.42,-2.69,;2.42,-4.23,;3.75,-5,;5.09,-4.23,;5.09,-2.69,;6.42,-5,;7.75,-4.23,;1.08,-5,;-.25,-4.23,;-.25,-2.69,;1.08,-1.93,;1.08,-.38,;2.42,.38,;3.75,-.38,;2.42,1.93,;1.08,2.69,;1.08,4.23,;2.42,5,;-.25,5,;-.25,1.93,;-1.71,2.4,;-2.62,1.15,;-4.15,.99,;-4.78,-.41,;-5.18,-1.9,;-3.87,-1.66,;-2.34,-1.5,;-1.71,-.09,;-.25,.38,;-6.26,-.81,;-6.26,.73,;-7.75,-.41,;-6.66,-2.3,)|
NC(=O)c1ccc(N[C@H]2CCN(C2)C(=O)C=C)c2c3CCCCc3[nH]c12 |r|
C\C=C\C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
NC(=O)c1ccc(N[C@H]2CCN(C2)C(=O)C=C)c2c3CCC(Cc3[nH]c12)C(F)(F)F |r|
NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C=C)c2c3CC(F)(F)CCc3[nH]c12 |r|
NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C=C)c2c3ccccc3[nH]c12 |r|
NC(=O)c1ccc(N[C@H]2CCN(C2)C(=O)C#C)c2c3CCC(Cc3[nH]c12)C(F)(F)F |r|
CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3CCC(F)(F)Cc3c12 |r|
CC#CC(=O)N(C)[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 |r|
CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 |r|
NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C#CC2CC2)c2c3ccccc3[nH]c12 |r|
NC(=O)c1cc(F)c(Cc2ccc(C=C)nc2)c2c3ccccc3[nH]c12
CN(CCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)CC1CCc2c(C1)[nH]c1c(ccc(-c3cccc(NC(=O)C=C)c3C)c21)C(N)=O |r|
NC(=O)c1cc(F)c(-c2cccc3CN(Cc23)C(=O)C=C)c2c3ccccc3[nH]c12 |(.49,5,;-.85,4.23,;-2.18,5,;-.85,2.69,;.49,1.93,;.49,.38,;1.82,-.38,;-.85,-.38,;-.85,-1.93,;-2.18,-2.69,;-2.18,-4.23,;-.85,-5,;.49,-4.23,;1.95,-4.71,;2.86,-3.47,;1.95,-2.22,;.49,-2.69,;4.4,-3.47,;5.17,-2.13,;5.17,-4.8,;6.71,-4.8,;-2.18,.38,;-3.64,-.09,;-4.27,-1.5,;-5.8,-1.66,;-6.71,-.41,;-6.08,.99,;-4.55,1.15,;-3.64,2.4,;-2.18,1.93,)|
NC(=O)c1cc(F)c(-c2ccc3CCN(Cc3c2)C(=O)C=C)c2c3ccccc3[nH]c12
NC(=O)c1cc(F)c(-c2ccc3CN(CCc3c2)C(=O)C=C)c2c3ccccc3[nH]c12
NC(=O)c1cc(F)c(-c2cccc3N(CCc23)C(=O)C=C)c2c3ccccc3[nH]c12 |(1.72,6.54,;.39,5.77,;-.94,6.54,;.39,4.23,;1.72,3.46,;1.72,1.92,;3.06,1.15,;.39,1.15,;.39,-.39,;-.94,-1.16,;-.94,-2.7,;.39,-3.47,;1.72,-2.7,;3.19,-3.17,;4.09,-1.93,;3.19,-.68,;1.72,-1.16,;3.59,-4.66,;2.5,-5.75,;5.07,-5.06,;5.47,-6.54,;-.94,1.92,;-2.41,1.45,;-3.04,.04,;-4.57,-.12,;-5.47,1.13,;-4.85,2.53,;-3.31,2.69,;-2.41,3.94,;-.94,3.46,)|
NC(=O)c1cc(F)c(-c2ccc3CCN(C(=O)C=C)c3c2)c2c3ccccc3[nH]c12
NC(=O)c1cc(F)c(C2=CCCN(C2)C(=O)C=C)c2c3ccccc3[nH]c12 |t:8|
NC(=O)c1cc(F)c(C2CCCN(C2)C(=O)C=C)c2c3ccccc3[nH]c12
NC(=O)c1cc(F)c(Cc2ccnc(C=C)c2)c2c3ccccc3[nH]c12
NC(=O)c1cc(F)c(C2CCN(C2)C(=O)C=C)c2c3ccccc3[nH]c12
CC#CC(=O)N1CCCC2CN(CC12)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12
NC(=O)c1cc(F)c(N2CC3CCCN(C3C2)C(=O)C=C)c2c3ccccc3[nH]c12
NC(=O)c1cc(F)c(Cc2cnc(C=C)nc2)c2c3ccccc3[nH]c12
NC(=O)c1cc(F)c(N2CC3CCN(C3C2)C(=O)C=C)c2c3ccccc3[nH]c12
CC#CC(=O)N1CCC[C@H]2CN(C[C@@H]12)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 |r|
CC#CC(=O)N1CCC[C@@H]2CN(C[C@H]12)c1c(Cl)cc(C(N)=O)c2[nH]c3ccccc3c12 |r|
CC#Cc1cc(Cc2c(F)cc(C(N)=O)c3[nH]c4ccccc4c23)ccn1
CC#CC(=O)N[C@H]1CCCN(C1)c1c2C3CCC(CC3Nc2c(cc1F)C(N)=O)C(C)(C)O |r|
CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O |r|
NC(=O)c1cc(F)c(-c2ccc3CN(Cc3c2)C(=O)C=C)c2c3ccccc3[nH]c12
NC(=O)c1cc(F)c(C2=CCN(C2)C(=O)C=C)c2c3ccccc3[nH]c12 |t:8|
NC(=O)c1cc(F)c(C2CCN(C2)C(=O)C=C)c2c3CCCCc3[nH]c12
CC#CC(=O)N[C@@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 |r|
CC#CC(=O)N1CCC2CN(CC12)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12
NC(=O)c1cc(F)c(C2=CN(CCC2)C(=O)C=C)c2c3ccccc3[nH]c12 |t:8|
CC#CC(=O)N1CCC2(CCN(C2)c2c(F)cc(C(N)=O)c3[nH]c4ccccc4c23)C1
NC(=O)c1cc(F)c(N2CCC3(CCN(C3)C(=O)C=C)C2)c2c3ccccc3[nH]c12
NC(=O)c1cc(F)c(N2CCC3C(CCN3C(=O)C=C)C2)c2c3ccccc3[nH]c12
CC#CC(=O)N1CCC2CN(CCC12)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12
NC(=O)c1cc(F)c(N2CC3CN(C3C2)C(=O)C=C)c2c3ccccc3[nH]c12
CC#CC(=O)N1CC2CN(CC12)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12
NC(=O)c1cc(F)c(N2CCC3CCN(CC3C2)C(=O)C=C)c2c3ccccc3[nH]c12
NC(=O)c1cc(Cl)c(N2CC3CCCN(C3C2)C(=O)C=C)c2c3ccccc3[nH]c12
CC#CC(=O)N1CCc2c1cccc2-c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 |(6.76,-6.2,;5.27,-5.8,;3.79,-5.4,;2.3,-5,;1.21,-6.09,;1.9,-3.52,;2.8,-2.27,;1.9,-1.02,;.43,-1.5,;.43,-3.04,;-.9,-3.81,;-2.23,-3.04,;-2.23,-1.5,;-.9,-.73,;-.9,.81,;.43,1.58,;1.77,.81,;.43,3.12,;-.9,3.89,;-.9,5.43,;.43,6.2,;-2.23,6.2,;-2.23,3.12,;-3.7,3.6,;-4.6,2.35,;-6.13,2.19,;-6.76,.78,;-5.86,-.46,;-4.32,-.3,;-3.7,1.1,;-2.23,1.58,)|
CC#CC(=O)N1CCc2ccc(cc2C1)-c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12
CC#CC(=O)N1CCc2cc(ccc2C1)-c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12
CC#CC(=O)N1Cc2cccc(c2C1)-c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 |(6.71,.54,;5.94,-.8,;5.17,-2.13,;4.4,-3.47,;5.17,-4.8,;2.86,-3.47,;1.95,-4.71,;.49,-4.23,;-.85,-5,;-2.18,-4.23,;-2.18,-2.69,;-.85,-1.93,;.49,-2.69,;1.95,-2.22,;-.85,-.38,;.49,.38,;1.82,-.38,;.49,1.93,;-.85,2.69,;-.85,4.23,;.49,5,;-2.18,5,;-2.18,1.93,;-3.64,2.4,;-4.55,1.15,;-6.08,.99,;-6.71,-.41,;-5.8,-1.66,;-4.27,-1.5,;-3.64,-.09,;-2.18,.38,)|
CC#CC(=O)N1CCc2ccc(cc12)-c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12
NC(=O)c1cc(F)c(Cc2cncc(C=C)n2)c2c3ccccc3[nH]c12
NC(=O)c1cc(Cl)c(Cc2cncc(C=C)n2)c2c3ccccc3[nH]c12
NC(=O)c1cc(F)c(Cc2ccc(nc2)C#C)c2c3ccccc3[nH]c12
NC(=O)c1cc(Cl)c(Cc2ccc(C=C)nc2)c2c3ccccc3[nH]c12
NC(=O)c1cc(F)c(Cc2ccnc(c2)C#C)c2c3ccccc3[nH]c12
NC(=O)c1cc(F)c(Cc2cnc(C=C)s2)c2c3ccccc3[nH]c12
CC#Cc1ccc(Cc2c(F)cc(C(N)=O)c3[nH]c4ccccc4c23)cn1
NC(=O)c1cc(F)c(Cc2cnc(C=C)cn2)c2c3ccccc3[nH]c12
NC(=O)c1cc(F)c(C2=CCCN(C2)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F |t:8|
NC(=O)c1cc(F)c(C2CCCN(C2)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F
NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F |r|
CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(F)(F)F |r|
CC#CC(=O)N[C@@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(F)(F)F |r|
NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C#CC2CC2)c2c3ccc(cc3[nH]c12)C(F)(F)F |r|
NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC#N)c2c3ccc(cc3[nH]c12)C(F)(F)F |r|
NC(=O)c1cc(F)c(-c2cccc3CN(Cc23)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F |(1.23,5,;-.1,4.23,;-1.44,5,;-.1,2.69,;1.23,1.93,;1.23,.38,;2.57,-.38,;-.1,-.38,;-.1,-1.93,;-1.44,-2.69,;-1.44,-4.23,;-.1,-5,;1.23,-4.23,;2.7,-4.71,;3.6,-3.47,;2.7,-2.22,;1.23,-2.69,;5.14,-3.47,;5.91,-2.13,;5.91,-4.8,;7.45,-4.8,;-1.44,.38,;-2.9,-.09,;-3.53,-1.5,;-5.06,-1.66,;-5.96,-.41,;-5.34,.99,;-3.81,1.15,;-2.9,2.4,;-1.44,1.93,;-7.45,-.81,;-8.54,.28,;-7.85,-2.3,;-8.94,-1.21,)|
NC(=O)c1cc(F)c(-c2cccc3N(CCc23)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F |(2.67,6.89,;1.33,6.12,;-0,6.89,;1.33,4.58,;2.67,3.81,;2.67,2.27,;4,1.5,;1.33,1.5,;1.33,-.04,;-0,-.81,;-0,-2.35,;1.33,-3.12,;2.67,-2.35,;4.13,-2.83,;5.04,-1.58,;4.13,-.33,;2.67,-.81,;4.53,-4.31,;6.02,-4.71,;3.44,-5.4,;3.84,-6.89,;-0,2.27,;-1.47,1.79,;-2.09,.39,;-3.62,.23,;-4.53,1.47,;-3.9,2.88,;-2.37,3.04,;-1.47,4.29,;-0,3.81,;-6.02,1.07,;-7.11,2.16,;-6.42,-.41,;-7.5,.67,)|
NC(=O)c1cc(F)c(-c2ccc3CCN(C(=O)C=C)c3c2)c2c3ccc(cc3[nH]c12)C(F)(F)F
NC(=O)c1cc(F)c(C2CCC3(CCCN3C(=O)C=C)C2)c2c3ccc(cc3[nH]c12)C(F)(F)F
CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1 |r|
CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N(C)C |r|
CN(C)C(=O)c1ccc2c(c1)[nH]c1c(cc(F)c(-c3ccnc(C=C)c3)c21)C(N)=O
CN(C)C(=O)c1ccc2c(c1)[nH]c1c(cc(F)c(N[C@H]3CCN(C3)C#N)c21)C(N)=O |r|
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(cc(F)c(N[C@H]3CCN(C3)C#N)c21)C(N)=O |r|
NC(=O)c1ccc(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(=O)N1CCOCC1
CC#CC(=O)N1CCc2c(C1)cccc2-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCOCC1
NC(=O)c1ccc(-c2cccc3CN(CCc23)C#N)c2c3ccc(cc3[nH]c12)C(=O)N1CCOCC1
NC(=O)c1cc(F)c(-c2ccc3CCN(C(=O)C=C)c3c2)c2c3ccc(CCO)cc3[nH]c12
NC(=O)c1cc(F)c(-c2ccc3CCN(C#N)c3c2)c2c3ccc(CCO)cc3[nH]c12
NC(=O)c1cc(F)c(N2CC3CCCN(C3C2)C(=O)C=C)c2c1[nH]c1ccc(Cl)cc21
CC#CC(=O)N1CCCC2CN(CC12)c1c(F)cc(C(N)=O)c2[nH]c3ccc(Cl)cc3c12
CC(C)(O)C1CCc2c(C1)[nH]c1c(cc(F)c(C3=CCCN(C3)C(=O)C=C)c21)C(N)=O |t:18|
CC(C)(O)[C@@H]1CCc2c(C1)[nH]c1c(cc(F)c(Cc3ccc(C=C)nc3)c21)C(N)=O |r|
CC(C)(O)C1CCc2c(C1)[nH]c1c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c21)C(N)=O |(-8.02,1.05,;-6.93,-.04,;-8.42,-.44,;-7.33,-1.53,;-5.44,.36,;-4.54,-.89,;-3.01,-.73,;-2.38,.68,;-3.29,1.93,;-4.82,1.76,;-2.38,3.17,;-.92,2.69,;.42,3.47,;1.75,2.69,;1.75,1.15,;3.08,.39,;.42,.38,;.42,-1.15,;-.92,-1.93,;-.92,-3.47,;.42,-4.23,;1.75,-3.47,;3.08,-4.23,;4.42,-3.47,;4.42,-1.93,;3.08,-1.15,;1.75,-1.93,;5.75,-4.23,;5.75,-5.78,;7.09,-3.47,;8.42,-4.23,;-.92,1.15,;.42,5,;1.75,5.78,;-.92,5.78,)|
CC#Cc1ccc(Cc2c(F)cc(C(N)=O)c3[nH]c4CC(CCc4c23)C(C)(C)O)cn1
NC(=O)c1cc(F)c(-c2ccnc(C=C)c2)c2c3ccccc3[nH]c12
CC#CC(=O)N1CCC2CCN(CC2C1)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12
NC(=O)c1cc(F)c(C2=CCN(CC2)C(=O)C=C)c2c3ccccc3[nH]c12 |t:8|
CC#CC(=O)N1CCC(=CC1)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 |c:8|
CN(C(=O)C=C)c1ccc(nc1)-c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12
NC(=O)c1cc(F)c(C2C[C@H]3C[C@@H]2CN3C(=O)C=C)c2c3ccccc3[nH]c12 |r|
Cc1cc(Cc2c(F)cc(C(N)=O)c3[nH]c4ccccc4c23)cc(C=C)n1
Cc1nc(Cc2c(F)cc(C(N)=O)c3[nH]c4ccccc4c23)cc(C=C)n1
Cc1cc(C=C)nc(Cc2c(F)cc(C(N)=O)c3[nH]c4ccccc4c23)n1
NC(=O)c1cc(F)c(Cc2ccnc(C=C)c2F)c2c3ccccc3[nH]c12
NC(=O)c1cc(F)c(-c2cccc(c2)C2CCCN2C(=O)C=C)c2c3ccccc3[nH]c12
CC#CC(=O)N1CCCC1c1cccc(c1)-c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12
NC(=O)c1cc(F)c(-c2cccc(\C=C\C(=O)N3CCOCC3)c2)c2c3ccccc3[nH]c12
NC(=O)c1cc(F)c(-c2cccc(\C=C\C(=O)N3CCCC3)c2)c2c3ccccc3[nH]c12
CCC(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
CCNC(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Cc1c(NC(=O)CC#N)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Cc1c(N)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Cc1c(NC(=O)c2ccccc2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Cc1c(cccc1-c1ccc(C(N)=O)c2[nH]c3CCCCc3c12)N1Cc2ccccc2C1=O
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)C4CC4)c3C)c21)C(N)=O
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(N3CCC[C@H](C3)NC(C)=O)c21)C(N)=O |r|
Cc1c(cccc1-c1ccc(C(N)=O)c2[nH]c3CC(CO)CCc3c12)N1Cc2ccccc2C1=O
NC(=O)c1ccc(-c2ccccc2F)c2c3ccc(NC(=O)C=C)cc3[nH]c12
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(CC#N)C1
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCN(CC1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCN(CC#N)CC1
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCN(CC#N)C1
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1COCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2CC1CN2C#N |TLB:6:22:28.27:25,29:28:23.22:25|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2CC1CN2CC#N |TLB:6:22:28.27:25,29:28:23.22:25|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCCN(C1)C#N
Cc1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)cc1C
CCc1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)cc1
Cc1cc(Cl)ccc1Oc1ccc(cc1)-c1nn(C2CCCN(C2)C#N)c(N)c1C(N)=O
Cc1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)c(C)c1
CC(C)c1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)cc1
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)C1CCCN(C1)C#N
Cc1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)cc1F
Cc1cc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)ccc1F
Cc1cc(F)ccc1Oc1ccc(cc1)-c1nn(C2CCCN(C2)C#N)c(N)c1C(N)=O
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2Cl)cc1)C1CCCN(C1)C#N
Cc1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)c(Cl)c1
Cc1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)c(F)c1
Cc1cc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)ccc1Cl
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2)cc1)C1CCCN(C1)C#N
Cc1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)cc1
NC(=O)c1c(N)n(nc1-c1ccc(Oc2cc(F)ccc2F)cc1)C1CCCN(C1)C#N
CC(C)Oc1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)cc1
NC(=O)c1c(N)n(nc1-c1ccc(Oc2cc(F)ccc2Cl)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)c(OC(F)(F)F)c2)cc1)C1CCCN(C1)C#N
COc1cc(F)ccc1Oc1ccc(cc1)-c1nn(C2CCCN(C2)C#N)c(N)c1C(N)=O
COc1cccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)c1
NC(=O)c1c(N)n(nc1-c1ccc(Oc2cc(Cl)ccc2F)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cc2Cl)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2cc(F)cc(Cl)c2)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2C(F)(F)F)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2cccc(Cl)c2)cc1)C1CCCN(C1)C#N
Cc1c(F)cccc1Oc1ccc(cc1)-c1nn(C2CCCN(C2)C#N)c(N)c1C(N)=O
NC(=O)c1c(N)n(nc1-c1ccc(Oc2cc(Cl)ccc2Cl)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2Cl)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2cccc(Cl)c2F)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)c(Cl)c2)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2cc(F)c(F)cc2F)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2cc(Cl)cc(Cl)c2)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)c(F)c2F)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2OC(F)(F)F)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2c(F)cccc2Cl)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)c(c2)C(F)(F)F)cc1)C1CCCN(C1)C#N
COc1ccccc1Oc1ccc(cc1)-c1nn(C2CCCN(C2)C#N)c(N)c1C(N)=O
NC(=O)c1c(N)n(nc1-c1ccc(Oc2cc(F)cc(F)c2)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Cc2ccccc2)cc1)C1CCCN(C1)C#N
Cc1cccc(Cc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)c1
Cc1cccc(Cc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C#N)c(N)c2C(N)=O)c1 |r|
Cc1cccc(Cc2ccc(cc2)-c2nn([C@H]3CCCN(C3)C#N)c(N)c2C(N)=O)c1 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Cc2ccccc2Cl)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Cc2ccccc2Cl)cc1)[C@@H]1CCCN(C1)C#N |r|
NC(=O)c1c(N)n(nc1-c1ccc(Cc2ccccc2Cl)cc1)[C@H]1CCCN(C1)C#N |r|
NC(=O)c1c(N)n(nc1-c1ccc(Cc2ccccc2F)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Cc2ccccc2F)cc1)[C@@H]1CCCN(C1)C#N |r|
NC(=O)c1c(N)n(nc1-c1ccc(Cc2cccc(F)c2)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Cc2ccc(F)cc2F)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Cc2ccc(F)c(F)c2)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Cc2ccc(Cl)cc2)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(cc1)C(=O)c1ccccc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(cc1)C(O)c1ccccc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1cccc(Oc2ccccc2)c1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1cccc(Cc2cccc(Cl)c2)c1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1cccc(Cc2cccc(F)c2)c1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1cccc(Oc2ccc(F)cc2)c1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1cccc(Oc2ccc(OC(F)(F)F)cc2)c1)C1CCCN(C1)C#N
Cc1ccc(Oc2cccc(c2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)cc1F
CC(C)c1ccccc1Oc1cccc(c1)-c1nn(C2CCCN(C2)C#N)c(N)c1C(N)=O
Cc1ccc(Oc2cccc(c2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)cc1
Cc1cc(Oc2cccc(c2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)ccc1Cl
CC(C)c1ccc(Oc2cccc(c2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)cc1
CC(C)c1ccc(Oc2cccc(c2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)cc1C
Cc1cccc(Oc2cccc(c2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)c1C
Cc1cccc(Oc2cccc(c2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)c1Cl
CC(C)c1cc(C)ccc1Oc1cccc(c1)-c1nn(C2CCCN(C2)C#N)c(N)c1C(N)=O
NC(=O)c1c(N)n(nc1-c1cccc(Oc2ccc(F)c(F)c2)c1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1cccc(Oc2ccc(OC(F)(F)F)c(F)c2)c1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)nc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cn2)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cn2)cc1)C1CCCN(C1)C#N
Cc1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)nc1
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ncc(F)cc2F)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2cccc(n2)C(F)(F)F)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ncc(Cl)cc2F)cc1)[C@@H]1CCCN(C1)C#N |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ncc(Cl)cc2F)cc1)[C@H]1CCCN(C1)C#N |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2)cc1Cl)C1CCCN(C1)C#N
C[C@H]1CC[C@H](CN1C#N)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccc(F)cc2F)cc1 |r|
C[C@@H]1CC[C@@H](CN1C#N)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccc(F)cc2F)cc1 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Sc2ccc(Cl)cc2)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Sc2ccccc2)cc1)C1CCCN(C1)C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C1)C(=O)C=C |r|
C\C=C\C(=O)N1CCCC(C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)\C=C\CO |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1CCCN(C1)C(=O)\C=C\CO |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1CCCN(C1)C(=O)\C=C\CF |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCCN(C1)C(=O)\C=C\C(F)F
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCCN(C1)C(=O)C(F)=C
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCCN(C1)C(=O)\C=C\C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)C1CCCN(C1)C(=O)C=C
COC\C=C\C(=O)N1CCCC(C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccc(F)cc2F)cc1
CC(=C)C(=O)N1CCCC(C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccc(F)cc2F)cc1
CN(C)C\C=C\C(=O)N1CCCC(C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccc(F)cc2F)cc1
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)C1CCCN(C1)C(=O)\C=C\CCO
C\C=C\C(=O)N1CCCC(C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccc(F)cc2F)cc1
CC\C=C\C(=O)N1CCCC(C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccc(F)cc2F)cc1
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)C1CCCN(C1)C(=O)\C=C\C(F)F
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)C1CCCN(C1)C(=O)\C=C\CF
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)C1CCCN(C1)C(=O)C(\F)=C\CO
CC(C)(O)\C=C\C(=O)N1CCCC(C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccc(F)cc2F)cc1
C[C@H](O)\C=C\C(=O)N1CCCC(C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccc(F)cc2F)cc1 |r|
C[C@@H](O)\C=C\C(=O)N1CCCC(C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccc(F)cc2F)cc1 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)C1CCCN(C1)C(=O)C(F)=C
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)C1CCCN(C1)C(=O)\C=C\CO
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)C1CCCN(C1)C(=O)\C=C\C#N
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ncc(Cl)cc2F)cc1)C1CCCN(C1)C(=O)C=C
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ncc(Cl)cc2F)cc1)C1CCCN(C1)C(=O)\C=C\CO
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ncc(Cl)cc2F)cc1)C1CCCN(C1)C(=O)\C=C\C(F)F
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ncc(Cl)cc2F)cc1)C1CCCN(C1)C(=O)\C=C\CF
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cn2)cc1)C1CCCN(C1)C(=O)C=C
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cn2)cc1)C1CCCN(C1)C(=O)\C=C\CO
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cn2)cc1)C1CCCN(C1)C(=O)\C=C\C(F)F
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cn2)cc1)C1CCCN(C1)C(=O)\C=C\CF
NC(=O)c1c(N)n(nc1-c1ccc(Oc2cccc(n2)C(F)(F)F)cc1)C1CCCN(C1)C(=O)C=C
NC(=O)c1c(N)n(nc1-c1ccc(Oc2cccc(n2)C(F)(F)F)cc1)C1CCCN(C1)C(=O)\C=C\CO
NC(=O)c1c(N)n(nc1-c1ccc(Oc2cccc(n2)C(F)(F)F)cc1)C1CCCN(C1)C(=O)\C=C\C(F)F
NC(=O)c1c(N)n(nc1-c1ccc(Oc2cccc(n2)C(F)(F)F)cc1)C1CCCN(C1)C(=O)\C=C\CF
NC(=O)c1c(N)n(nc1-c1ccc(Oc2cccc(n2)C(F)(F)F)cc1)C1CCCN(C1)C(=O)C(F)=C
NC(=O)c1c(N)n(nc1-c1ccc(Oc2cccc(n2)C(F)(F)F)cc1)C1CCCN(C1)C(=O)\C=C\C#N
CC(C)(C)c1noc(n1)C(=O)NC1CCCCc2cc(ccc12)-c1ccnc2[nH]c(=O)[nH]c12 |w:12.12|
CC(C)(C)c1nc(no1)C(=O)NCc1ccc(cc1C(F)(F)F)-c1ccnc2[nH]c(=O)[nH]c12
CC(C)(C)c1noc(n1)C(=O)NC1CCCCc2cc(ccc12)-c1ccnc2[nH]c(=O)[nH]c12
CC(C)(C)c1cc(on1)C(=O)NC1CCCCc2cc(ccc12)-c1ccnc2[nH]c(=O)[nH]c12
CC(C)(C)c1noc(n1)C(=O)NCc1ccc(cc1C(F)(F)F)-c1ccnc2[nH]c(=O)[nH]c12
Cc1cc(ccc1CNC(=O)c1nc(no1)C(C)(C)C)-c1ccnc2[nH]c(=O)[nH]c12
CC(C)(C)c1noc(n1)C(=O)NCc1ccc(cc1C1CC1)-c1ccnc2[nH]c(=O)[nH]c12
Cc1cc(c(F)cc1CNC(=O)c1nc(no1)C(C)(C)C)-c1ccnc2[nH]c(=O)[nH]c12
CC(C)(C)c1noc(n1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(=O)[nH]c12
CC1(CC1)c1noc(n1)C(=O)NCc1ccc(cc1C(F)(F)F)-c1ccnc2[nH]c(=O)[nH]c12
CC1(C)Cc2cc3C(=O)N(CCn3c2C1)c1cc(F)cc(c1CO)-c1ccnc2[nH]c(=O)[nH]c12
CC(C)(C)c1noc(n1)C(=O)NC1CCCc2cc(ccc12)-c1ccnc2[nH]c(=O)[nH]c12
CC(C)(C)c1nc(no1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(=O)[nH]c12
Fc1cc(ccc1CNC(=O)NCC1CC2CCC1C2)-c1ccnc2[nH]c(=O)[nH]c12
CC(C)(C)C1CCN(C1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(=O)[nH]c12
CC1(C)Cc2cc3C(=O)N(CCn3c2C1)c1cc(F)cc(c1)-c1ccnc2[nH]c(=O)[nH]c12
CC(C)(C)c1nc(cs1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(=O)[nH]c12
CC(C)(C)OC1CN(C1)C(=O)NCc1ccc(cc1C(F)(F)F)-c1ccnc2[nH]c(=O)[nH]c12
CC(C)(C)c1nnc(o1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(=O)[nH]c12
CC(C)(C)c1noc(n1)C(=O)NCc1ccc(c(CO)c1)-c1ccnc2[nH]c(=O)[nH]c12
CC(C)(O)c1ccc(cc1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(=O)[nH]c12
CC(C)(C)c1ccc(cn1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(=O)[nH]c12
CN1CCC(CC1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
CS(=O)(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)N1CCNCC1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)CC#N |r|
CN(C)CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
CC(O)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
CC(C)C[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
NC(=O)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
CC(C)C[C@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
CN(C)CC(=O)NC1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |(5.63,-5.86,;4.54,-6.95,;4.93,-8.44,;3.05,-6.55,;1.96,-7.64,;2.36,-9.13,;.47,-7.24,;.07,-5.75,;-1.41,-5.36,;-1.81,-3.87,;-.72,-2.78,;.76,-3.18,;1.16,-4.66,;-1.49,-1.45,;-.59,-.2,;-1.49,1.05,;-.72,2.38,;.76,2.78,;1.16,4.27,;.07,5.36,;.47,6.84,;1.96,7.24,;3.05,6.15,;4.54,6.55,;4.93,8.04,;3.85,9.13,;2.36,8.73,;-1.41,4.96,;-1.81,3.47,;-2.96,.57,;-4.29,1.34,;-4.29,2.88,;-5.63,.57,;-5.63,-.97,;-4.29,-1.74,;-2.96,-.97,)|
CC(C)C[C@H](N)C(=O)NC1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:4.4,(5.68,-8.93,;4.19,-9.33,;4.59,-10.81,;2.7,-8.93,;2.31,-7.44,;3.39,-6.35,;.82,-7.04,;-.27,-8.13,;.42,-5.55,;.02,-4.07,;-1.47,-3.67,;-1.87,-2.18,;-.78,-1.09,;.71,-1.49,;1.11,-2.98,;-1.55,.24,;-.64,1.49,;-1.55,2.73,;-.78,4.07,;.71,4.47,;1.11,5.95,;.02,7.04,;.42,8.53,;1.91,8.93,;3,7.84,;4.48,8.24,;4.88,9.73,;3.79,10.81,;2.31,10.42,;-1.47,6.64,;-1.87,5.16,;-3.01,2.26,;-4.35,3.03,;-4.35,4.57,;-5.68,2.26,;-5.68,.72,;-4.35,-.05,;-3.01,.72,)|
CS(=O)(=O)NC1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:8.11,(3.79,-8.04,;2.31,-7.64,;1.91,-9.13,;2.7,-6.15,;.82,-7.24,;.42,-5.75,;1.51,-4.66,;1.11,-3.18,;-.38,-2.78,;-1.47,-3.87,;-1.07,-5.36,;-1.15,-1.45,;-.24,-.2,;-1.15,1.05,;-.38,2.38,;1.11,2.78,;1.51,4.27,;.42,5.36,;.82,6.84,;2.31,7.24,;3.39,6.15,;4.88,6.55,;5.28,8.04,;4.19,9.13,;2.7,8.73,;-1.07,4.96,;-1.47,3.47,;-2.61,.57,;-3.95,1.34,;-3.95,2.88,;-5.28,.57,;-5.28,-.97,;-3.95,-1.74,;-2.61,-.97,)|
N[C@H](CO)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
C[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
CC(C)[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
CC(O)[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
NCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
CNc1c(C(N)=O)c(nn1[C@@H]1CCCN(C1)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1 |r|
CNc1c(C(N)=O)c(nn1C1CCCN(C1)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
CCNc1c(C(N)=O)c(nn1C1CCCN(C1)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(NCCN2CCOCC2)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C(=O)C=C
CN1CCN(CCNc2c(C(N)=O)c(nn2C2CCCN(C2)C(=O)C=C)-c2ccc(Oc3ccccc3)cc2)CC1
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCCC1
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C(=O)C=C
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCN(CC1)C(=O)C=C
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCN(C1)C(=O)C=C
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)C=C |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@H]1CCN(C1)C(=O)C=C |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C(=O)C#C
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)S(=O)(=O)C=C
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C(=O)CCl
CN(C)C\C=C\C(=O)N1CCCC(C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1
CN(CCn1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1)C(=O)C=C
CN(CCn1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1)C(=O)C#C
CN(CCn1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1)S(=O)(=O)C=C
CN(CCn1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1)C(=O)CCl
CN(C)C\C=C\C(=O)N(C)CCn1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1
NC(=S)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C(=O)C=C
NC(=O)c1c(N)n(nc1-c1ccc(Oc2cc(F)cc(F)c2)cc1)[C@@H]1CCN(C1)C(=O)C=C |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c(N)c2C(N)=O)c1 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1CCN(C1)C(=O)C=C |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2cccc(c2)C(F)(F)F)cc1)[C@@H]1CCN(C1)C(=O)C=C |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2Cl)cc1)[C@@H]1CCN(C1)C(=O)C=C |r|
COc1ccc(Oc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c(N)c2C(N)=O)cc1 |r|
Cc1ccc(cc1Oc1ccc(cc1)-c1nn([C@@H]2CCN(C2)C(=O)C=C)c(N)c1C(N)=O)[N+]([O-])=O |r|
Cc1ccc(Oc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c(N)c2C(N)=O)cc1[N+]([O-])=O |r|
Cc1cc(ccc1Oc1cccc(c1)[N+]([O-])=O)-c1nn([C@@H]2CCN(C2)C(=O)C=C)c(N)c1C(N)=O |r|
C=CC(=O)NCc1cccc(c1)-c1cn2ncnc2c(Nc2ccc(cc2)N2CCOCC2)n1
C=CC(=O)NCc1cccc(c1)-c1cn2ncnc2c(NC23CC(C2)C3)n1
C=CC(=O)Nc1cccc(c1)-c1cn2ncnc2c(NC23CC(C2)C3)n1
C=CC(=O)Nc1ccccc1-c1cn2ncnc2c(NC23CC(C2)C3)n1
C=CC(=O)N1CCCC(C1)c1cn2ncnc2c(Nc2ccc3CCCC(=O)Nc3c2)n1
C=CC(=O)Nc1cccc(c1)-c1cn2ncnc2c(Nc2ccc3CCCC(=O)Nc3c2)n1
C=CC(=O)NCc1cccc(c1)-c1cn2ncnc2c(Nc2ccc3CCCC(=O)Nc3c2)n1
C=CC(=O)N1CCC(C1)c1cn2ncnc2c(Nc2cc(ccn2)N2CCOCC2)n1
COc1ccc(Nc2nc(cn3ncnc23)C2CCN(C2)C(=O)C=C)cc1OC
C=CC(=O)N1CC[C@H](C1)c1cn2ccnc2c(Nc2ccc3CCCC(=O)Nc3c2)n1 |r|
C=CC(=O)N1CC[C@@H](C1)c1cn2ccnc2c(Nc2ccc3CCCC(=O)Nc3c2)n1 |r|
COc1ccc(Nc2nc(cn3ncnc23)[C@H]2CCN(C2)C(=O)C=C)cc1OC |r|
COc1ccc(Nc2nc(cn3ncnc23)[C@@H]2CCN(C2)C(=O)C=C)cc1OC |r|
C=CC(=O)N1CCC(C1)c1cn2ncnc2c(Nc2ccc3CCC(=O)Nc3c2)n1
C=CC(=O)N1CCC(C1)c1cn2ncnc2c(Nc2ccc3CCCC(=O)Nc3c2)n1
CNc1nc(cn2ncnc12)C1CCN(C1)C(=O)C=C
C=CC(=O)N1CCCC(C1)c1cn2ncnc2c(Nc2ccc(nc2)N2CCOCC2)n1
C=CC(=O)N1CCC(C1)c1cn2ncnc2c(Nc2ccc(nc2)N2CCOCC2)n1
CN1CCN(C1=O)c1ccc(Nc2nc(cn3ncnc23)C2CCN(C2)C(=O)C=C)cc1
Cn1ccc(Nc2cc(cn3ncnc23)C2CCCN(C2)C(=O)C=C)n1
Cn1cc(Nc2nc(cn3ncnc23)C2CCN(C2)C(=O)C=C)cn1
Cn1ccc(Nc2nc(cn3ncnc23)C2CCN(C2)C(=O)C=C)n1
C=CC(=O)N1CCC[C@H](C1)c1cc(Nc2cc3COCCn3n2)c2ncnn2c1 |r|
Cn1cc(Nc2nc(cn3ncnc23)[C@@H]2CCN(C2)C(=O)C=C)cn1 |r|
C=CC(=O)N1CCC(C1)c1cc(Nc2cc3COCCn3n2)c2ncnn2c1
C=CC(=O)N1CCCC(C1)c1cc(Nc2ccc(cn2)N2CCOCC2)c2ncnn2c1
C=CC(=O)N1CCCC(C1)c1cc(Nc2cccc(n2)N2CCOCC2)c2ncnn2c1
C=CC(=O)N1CCCC(C1)c1cc(Nc2cc3COCCn3n2)c2ncnn2c1
CC(C)c1noc(Nc2cc(cn3ncnc23)C2CCCN(C2)C(=O)C=C)n1
Cc1noc(Nc2cc(cn3ncnc23)C2CCCN(C2)C(=O)C=C)n1
C=CC(=O)N1CC[C@H](C1)c1cc(Nc2cc3COCCn3n2)c2ncnn2c1 |r|
Cn1ccc(Nc2cc(cn3ncnc23)[C@@H]2CC[C@@H](C2)NC(=O)C=C)n1 |r|
Cn1ccc(Nc2cc(cn3ncnc23)[C@H]2CCC[C@H](C2)NC(=O)C=C)n1 |r|
Cn1ccc(Nc2cc(cn3ncnc23)[C@H]2CCC[C@@H](C2)NC(=O)C=C)n1 |r|
Cn1ccc(Nc2cc(cn3ncnc23)[C@@H]2CCN(C2)C(=O)C=C)n1 |r|
Cn1ccc(Nc2cc(cn3ncnc23)[C@H]2CCN(C2)C(=O)C=C)n1 |r|
CN1CCn2nc(Nc3cc(cn4ncnc34)[C@@H]3CCN(C3)C(=O)C=C)cc2C1 |r|
CN1CCn2nc(Nc3cc(cn4ncnc34)[C@@H]3CCCN(C3)C(=O)C=C)cc2C1 |r|
C=CC(=O)N1CCC(C1)c1cc(Nc2cc3COCCn3n2)c2nccn2n1
C=CC(=O)N1CC(C1)c1cc(Nc2cc3COCCn3n2)c2ncnn2c1
Cn1ccc(Nc2cc(cn3ncnc23)C2CCCN(C2)C#N)n1
Cn1cc(Nc2nc(cn3ncnc23)C2CCN(C2)C#N)cn1
N#CN1CCCC(C1)c1cc(Nc2cc3COCCn3n2)c2ncnn2c1
Cn1ccc(Nc2cc(cn3ncnc23)[C@H]2CCC[C@@H](C2)NC#N)n1 |r|
CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)-n2ccnc2Nc2c(C)cccc2C)cc1
COCCOc1ccc(Nc2cc(ncn2)-n2ccnc2Nc2c(C)cccc2Cl)cc1
COCCOc1ccc(Nc2cc(ncn2)-n2ccnc2Nc2c(C)cccc2C)cc1
Cc1cccc(Cl)c1Nc1nccn1-c1cc(Nc2cnn(C)c2)ncn1
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCN(C1)C(=O)C=C
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCN(C1)C(=O)C=C
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CN(C1)C(=O)C=C
Nc1n[nH]c(=O)c2n(C[C@@H]3CCCN3C(=O)C=C)cc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1n[nH]c(=O)c2n(C[C@H]3CCCN3C(=O)C=C)cc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1n[nH]c(=O)c2n(CC3CCN(C3)C(=O)C=C)cc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(CC1)C(=O)C=C
Nc1n[nH]c(=O)c2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1n[nH]c(=O)c2n(CC3CN(C3)C(=O)C=C)cc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CN(CCC1F)C(=O)C=C
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CN(CC(F)(F)C1)C(=O)C=C
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC2CCC(C1)C2NC(=O)C=C |TLB:7:24:27.28:31,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;1.33,3.85,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-2.89,-4.87,;-3.37,-6.33,;-4.87,-6.65,;-5.35,-8.12,;-6.86,-8.44,;-7.89,-7.29,;-7.41,-5.83,;-5.91,-5.51,;-3.92,-3.73,;-3.45,-2.26,;;-1.94,3.48,;-1.88,5.03,;-3.58,5.36,;-4.44,4.19,;-5.72,3.74,;-4.49,4.84,;-2.72,4.46,;-4.43,6.38,;-4.93,7.83,;-6.44,8.13,;-7.46,6.97,;-6.94,9.59,;-8.45,9.89,)|
CC(C)N(C)C\C=C\C(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
CN(C\C=C\C(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12)C(=O)OC(C)(C)C
CNC\C=C\C(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
CCC(=O)N1CCCC(C1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C#N
CC#CC(=O)N1CCCC(C1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)CCl
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C1CC1
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)CC#N
C\C=C\C(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
CCN(CC)C\C=C\C(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)\C=C\CNC1CC1
CN(C\C=C\C(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12)C1CC1
CCN(C\C=C\C(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12)C1CC1
CN(C\C=C\C(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12)C1CCC1
CN(C\C=C\C(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12)C1CCCCC1
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)\C=C\CN1CCC1
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)\C=C\CN1CCCC1
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)\C=C\CN1CCOCC1
CN1CCN(C\C=C\C(=O)N2CCC[C@H](C2)n2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c(=O)c23)CC1
COC\C=C\C(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
CN(C)C\C=C\C(=O)N1CCCC(C1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
CN(C)C\C=C\C(=O)N1CC(C1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
CN(C)C\C=C\C(=O)N1CCC[C@H]1Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
CN(C)C\C=C\C(=O)N1CCC[C@@H]1Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
CN(C)C\C=C\C(=O)N1CCC(Cn2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c(=O)c23)C1
CN(C)C\C=C\C(=O)N1CCC(CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
CN(C)C\C=C\C(=O)N1CCC(F)C(C1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
CN(C)C\C=C\C(=O)NC1CCC(CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12 |(-1.7,15.7,;-1.23,14.24,;.28,13.92,;-2.26,13.09,;-1.78,11.63,;-2.81,10.48,;-2.34,9.02,;-.83,8.7,;-3.37,7.87,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-.91,4.63,;-1.39,6.09,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-2.89,-4.87,;-3.37,-6.33,;-2.34,-7.48,;-.83,-7.16,;.2,-8.3,;-.28,-9.77,;-1.78,-10.09,;-2.81,-8.94,;-3.92,-3.73,;-3.45,-2.26,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;1.33,3.85,;,1.54,)|
CN(C)C\C=C\C(=O)N1CC(Cn2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c(=O)c23)C1
CN(C)C\C=C\C(=O)NC1C2CCC1CC(C2)n1cc(-c2ccc(Oc3ccccc3)cc2)c2cn[nH]c(=O)c12 |THB:17:15:11.12:9,(-3.39,15.69,;-2.89,14.23,;-1.38,13.93,;-3.9,13.07,;-3.4,11.61,;-4.42,10.45,;-3.92,8.99,;-2.41,8.7,;-4.93,7.83,;-4.43,6.38,;-3.58,5.36,;-4.44,4.19,;-5.72,3.74,;-4.49,4.84,;-2.72,4.46,;-1.94,3.48,;-1.88,5.03,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-2.89,-4.87,;-3.37,-6.33,;-2.34,-7.48,;-.83,-7.16,;.2,-8.3,;-.28,-9.77,;-1.78,-10.09,;-2.81,-8.94,;-3.92,-3.73,;-3.45,-2.26,;;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;1.33,3.85,;,1.54,)|
CN(C)C\C=C\C(=O)N1C[C@@H](CC(F)(F)C1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=C\C1CC1)\C#N
COc1ccc(cc1)-c1cn(C2CCCN(C2)C(=O)C=C)c2c1c(N)n[nH]c2=O
COc1ccc(cc1)-c1cn(C2CCCN(C2)C(=O)\C=C\CN(C)C)c2c1c(N)n[nH]c2=O
COc1ccc(cc1Cl)-c1cn(C2CCCN(C2)C(=O)C=C)c2c1c(N)n[nH]c2=O
COc1ccc(cc1Cl)-c1cn(C2CCCN(C2)C(=O)\C=C\CN(C)C)c2c1c(N)n[nH]c2=O
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4F)cc3)c12)C1CCCN(C1)C(=O)C=C
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4c(F)cccc4F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3c(F)cccc3F)cc2)c2c(N)n[nH]c(=O)c12
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccc(F)cc4)cc3)c12)C1CCCN(C1)C(=O)C=C
CN(C)C\C=C\C(=O)N1CCCC(C1)n1cc(-c2ccc(Oc3ccc(F)cc3)cc2)c2c(N)n[nH]c(=O)c12
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4cccc(F)c4)cc3)c12)C1CCCN(C1)C(=O)C=C
CN(C)C\C=C\C(=O)N1CCCC(C1)n1cc(-c2ccc(Oc3cccc(F)c3)cc2)c2c(N)n[nH]c(=O)c12
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccc(Cl)cc4)cc3)c12)C1CCCN(C1)C(=O)C=C
CN(C)C\C=C\C(=O)N1CCCC(C1)n1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)c2c(N)n[nH]c(=O)c12
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4cccc(Cl)c4)cc3)c12)C1CCCN(C1)C(=O)C=C
CN(C)C\C=C\C(=O)N1CCCC(C1)n1cc(-c2ccc(Oc3cccc(Cl)c3)cc2)c2c(N)n[nH]c(=O)c12
COc1cc(ccc1Oc1cccc(Cl)c1)-c1cn(C2CCCN(C2)C(=O)C=C)c2c1c(N)n[nH]c2=O
COc1cc(ccc1Oc1cccc(Cl)c1)-c1cn(C2CCCN(C2)C(=O)\C=C\CN(C)C)c2c1c(N)n[nH]c2=O
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4Cl)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3ccccc3Cl)cc2)c2c(N)n[nH]c(=O)c12
COc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)-c1cn([C@@H]2CCCN(C2)C(=O)C=C)c2c1c(N)n[nH]c2=O
COc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)-c1cn([C@@H]2CCCN(C2)C(=O)\C=C\CN(C)C)c2c1c(N)n[nH]c2=O
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)c(F)c3)c12)[C@@H]1CCCN(C1)C(=O)C=C
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3ccccc3)c(F)c2)c2c(N)n[nH]c(=O)c12
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3F)c12)[C@@H]1CCCN(C1)C(=O)C=C
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)n[nH]c(=O)c12
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4c(F)cccc4Cl)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3c(F)cccc3Cl)cc2)c2c(N)n[nH]c(=O)c12
Nc1n[nH]c(=O)c2n([C@@H]3CCCN(C3)C(=O)C=C)c(Cl)c(-c3ccc(Oc4ccccc4)cc3)c12
Nc1n[nH]c(=O)c2n([C@@H]3CCCN(C3)C(=O)C=C)c(F)c(-c3ccc(Oc4ccccc4)cc3)c12
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1c(F)c(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
Nc1n[nH]c(=O)c2n([C@@H]3CCCN(C3)C(=O)C=C)c(Cl)c(-c3ccc(Oc4ccccc4F)cc3)c12
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4c(F)cccc4F)cc3)c12)[C@@H]1CCCN(C1)C#N
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)c(F)c3)c12)[C@@H]1CCCN(C1)C#N
Nc1n[nH]c(=O)c2n([C@@H]3CCCN(C3)C#N)c(Cl)c(-c3ccc(Oc4ccccc4F)cc3)c12
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4F)cc3)c12)[C@@H]1CCCN(C1)C#N
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)-c1cccc(NC(=O)C=C)c1
COc1ccc(cc1Cl)-c1cn(-c2cccc(NC(=O)C=C)c2)c2c1c(N)n[nH]c2=O
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)-c1ccc(NC(=O)C=C)cc1
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4F)cc3)c12)-c1cccc(NC(=O)C=C)c1
CN(C)C\C=C\C(=O)Nc1cccc(c1)-n1cc(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12
CC#CC(=O)N1CC[C@H](C1)n1cc(-c2ccc(Oc3c(F)cccc3F)cc2)c2c(N)n[nH]c(=O)c12
CC#CC(=O)N1CC[C@H](C1)n1cc(-c2ccc(Oc3c(F)cccc3Cl)cc2)c2c(N)n[nH]c(=O)c12
CC#CC(=O)N1CC[C@H](C1)n1cc(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12
CC#CC(=O)N1CC[C@H](C1)n1cc(-c2ccc(Oc3ccccc3Cl)cc2)c2c(N)n[nH]c(=O)c12
CC#CC(=O)N1CC[C@H](C1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
CO[C@H]1CN(C[C@@H]1n1cc(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12)C(=O)C#CC
CN(C)CC#CC(=O)N1CC[C@H](C1)n1cc(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12
CC#CC(=O)NC1CCC(C1)n1cc(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12
CC#CC(=O)N1CC[C@@H](C1)n1cc(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12
CC#CC(=O)N[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12 |wU:9.12,6.5,(-8.87,4.52,;-7.46,5.15,;-6.06,5.78,;-5.07,7.35,;-5.74,8.23,;-3.37,7.87,;-2.89,6.41,;-1.39,6.09,;-.91,4.63,;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-2.89,-4.87,;-3.37,-6.33,;-4.87,-6.65,;-5.91,-5.51,;-7.41,-5.83,;-7.89,-7.29,;-6.86,-8.44,;-5.35,-8.12,;-4.32,-9.26,;-3.92,-3.73,;-3.45,-2.26,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;1.33,3.85,;,1.54,)|
NC(=O)C#CCC1CCC(CC1)n1cc(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12 |(1.23,10.99,;-.28,11.31,;-.75,12.77,;-1.31,10.16,;-2.34,9.02,;-3.37,7.87,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-.91,4.63,;-1.39,6.09,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-2.89,-4.87,;-3.37,-6.33,;-4.87,-6.65,;-5.91,-5.51,;-7.41,-5.83,;-7.89,-7.29,;-6.86,-8.44,;-5.35,-8.12,;-4.32,-9.26,;-3.92,-3.73,;-3.45,-2.26,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;1.33,3.85,;,1.54,)|
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4F)cc3)c12)C1CCC(CC1)NC(=O)C=C |(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;1.33,3.85,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-2.89,-4.87,;-3.37,-6.33,;-4.87,-6.65,;-5.91,-5.51,;-7.41,-5.83,;-7.89,-7.29,;-6.86,-8.44,;-5.35,-8.12,;-4.32,-9.26,;-3.92,-3.73,;-3.45,-2.26,;;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-1.39,6.09,;-.91,4.63,;-3.37,7.87,;-4.87,8.19,;-5.91,7.05,;-5.35,9.66,;-6.86,9.98,)|
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4F)cc3)c12)C1CC[C@@H](CC1)NC(=O)C=C |r,wD:28.35,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;1.33,3.85,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-2.89,-4.87,;-3.37,-6.33,;-4.87,-6.65,;-5.91,-5.51,;-7.41,-5.83,;-7.89,-7.29,;-6.86,-8.44,;-5.35,-8.12,;-4.32,-9.26,;-3.92,-3.73,;-3.45,-2.26,;;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-1.39,6.09,;-.91,4.63,;-3.37,7.87,;-4.87,8.19,;-5.91,7.05,;-5.35,9.66,;-6.86,9.98,)|
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4F)cc3)c12)[C@@H]1CCN(C1)C(=O)C=C
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCN(C1)C#N
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4F)cc3)c12)C1CCCN(C1)C#N
Nc1n[nH]c(=O)c2n(nc(-c3ccc(Oc4ccccc4F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Nc1n[nH]c(=O)c2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
CC#CC(=O)N1CC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
CC#CC(=O)N1CC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12
CC#CC(=O)N1CC[C@H](C1)n1nc(-c2ccc(Oc3c(F)cccc3F)cc2)c2c(N)n[nH]c(=O)c12
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4c(F)cccc4F)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C
CCC(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3c(F)cccc3F)cc2)c2c(N)n[nH]c(=O)c12
C\C=C\C(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3c(F)cccc3F)cc2)c2c(N)n[nH]c(=O)c12
CC#CC(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3c(F)cccc3F)cc2)c2c(N)n[nH]c(=O)c12
CCCC(=O)N1CC[C@H](C1)n1cc(-c2ccc(Oc3c(F)cccc3F)cc2)c2c(N)n[nH]c(=O)c12
NC(=O)c1ccc(nc1-c1ccc(Oc2ccccc2)cc1)C1CCNCC1
NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)cc1)C1CNC1
NC(=O)c1ccc(nc1-c1ccc(Oc2ccc(cc2)C#N)cc1)N1CCN(CC1)C(=O)C=C
COc1cc(ccc1F)-c1nc(ccc1C(N)=O)N1CCN(CC1)C(=O)C=C
NC(=O)c1ccc(nc1-c1ccc(Cl)cc1)N1CCN(CC1)C(=O)C=C
NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)cc1)C1CN(C1)C(=O)CC#N
NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)cc1)C1CN(C1)C(=O)C(=C\C1CC1)\C#N
NC(=O)c1cc(C2CCN(CC2)C(=O)C=C)n(n1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1ccc(nc1-c1ccc(Oc2ccccc2)cc1)N1CCC(CC1)NC(=O)C=C
C=CC(=O)N1CCC(CC1)c1ccc(C#N)c(n1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1ccc(nc1-c1ccc(Oc2ccccc2)nc1)N1CCN(CC1)C(=O)C=C
NC(=O)c1ccc(nc1-c1ccc(Oc2ccccc2)cc1)-c1cccc(NC(=O)C=C)c1
NC(=O)c1ccc(nc1-c1ccc(Oc2ccccc2)cc1)C1CCN(CC1)C(=O)C=C
NC(=O)c1ccc(nc1-c1ccc(Oc2ccccc2)cc1)N1CCN(CC1)C(=O)C=C
NC(=O)c1ccc(nc1-c1ccc(Oc2ccccc2)cc1)C1CCN(C1)C(=O)C=C
NC(=O)c1ccc(nc1-c1ccc(Oc2ccccc2)cc1)-c1ccc(NC(=O)C=C)cc1
NC(=O)c1ccc(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C(=O)C=C
NC(=O)c1ccc(nc1-c1ccc(Oc2ccccc2)cc1)N1CCC(C1)NC(=O)C=C
NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C(=O)C=C
NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)cc1)C1CCN(C1)C(=O)C=C
NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)cc1)C1CN(C1)C(=O)C=C
NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)cc1)-c1ccc(NC(=O)C=C)cc1
NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)cc1)-c1cccc(N)c1
NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)cc1)-c1cccc(NC(=O)C=C)c1
NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)cc1)[C@H]1CCN(C1)C(=O)C=C |r|
NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)C=C |r|
NC(=O)c1cnc(nc1-c1ccc(Oc2ccccc2)cc1)C1CCN(CC1)C(=O)C=C
NC(=O)c1cnc(nc1-c1ccc(Oc2ccccc2)cc1)C1CCN(C1)C(=O)C=C
CN(C)C\C=C\C(=O)N1CCN(CC1)c1ccc(C(N)=O)c(n1)-c1ccc(Oc2ccccc2)cc1
OC(=O)c1ccc(nc1-c1ccc(Oc2ccccc2)cc1)N1CCN(CC1)C(=O)C=C
NC(=O)c1ccc(nc1-c1ccc(OC2CCCCC2)cc1)N1CCN(CC1)C(=O)C=C
COc1cc(ccc1C)-c1nc(ccc1C(N)=O)N1CCN(CC1)C(=O)C=C
NC(=O)c1ccc(nc1-c1ccc(Oc2ccccn2)cc1)N1CCN(CC1)C(=O)C=C
CN(C)C\C=C\C(=O)N1CCC(C1)n1cc(C(N)=O)c(n1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1ccc(nc1-c1ccc(Oc2cccc(F)c2)cc1)N1CCN(CC1)C(=O)C=C
NC(=O)c1ccc(nc1-c1ccc(Oc2ccccc2)c(F)c1)N1CCN(CC1)C(=O)C=C
NC(=O)c1ccc(nc1-c1ccc(Oc2ccc(F)cc2)cc1)N1CCN(CC1)C(=O)C=C
NC(=O)c1ccc(nc1-c1ccc(Oc2ccccc2F)cc1)N1CCN(CC1)C(=O)C=C
NC(=O)c1ccc(nc1-c1ccc(Oc2ccccc2)cc1F)N1CCN(CC1)C(=O)C=C
NC(=O)c1sc(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C(=O)C=C
NC(=O)c1sc(nc1-c1ccc(Oc2ccccc2)cc1)C1CCN(C1)C(=O)C=C
NC(=O)c1oc(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C(=O)C=C
NC(=O)c1oc(nc1-c1ccc(Oc2ccccc2)cc1)C1CCN(C1)C(=O)C=C
NC(=O)c1nc(sc1-c1ccc(Oc2ccccc2)cc1)C1CCN(C1)C(=O)C=C
NC(=O)c1nc(sc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C(=O)C=C
NC(=O)c1oc(nc1-c1ccc(Oc2ccccc2)cc1)C1CCN(CC1)C(=O)C=C
CNC(=O)c1sc(nc1-c1ccc(Oc2ccccc2)cc1)N1CCN(CC1)C(=O)C=C
NC(=O)c1nc(oc1-c1ccc(Oc2ccccc2)cc1)C1CCN(C1)C(=O)C=C
NC(=O)c1nc(sc1-c1ccc(Oc2ccccc2)cc1)C1CCN(CC1)C(=O)C=C
NC(=O)c1sc(nc1-c1ccc(Oc2ccccc2)cc1)N1CCN(CC1)C(=O)C=C
NC(=O)c1sc(nc1-c1ccc(Oc2ccccc2)cc1)C1CCN(CC1)C(=O)C=C
NC(=O)c1nc(oc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C(=O)C=C
NC(=O)c1ccc(cc1-c1ccc(Oc2ccccc2)cc1)C1CCN(CC1)C(=O)C=C
NC(=O)c1ccc(cc1-c1ccc(Oc2ccccc2)cc1)N1CCN(CC1)C(=O)C=C
NC(=O)c1ccc(nc1-c1ccc(cc1)C(O)c1ccccc1)C1CCN(CC1)C(=O)C=C
C\C=C(/C#N)C(=O)N1CC(C1)n1cc(C(N)=O)c(n1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1ccc(nc1-c1ccc(OC2CCC(F)(F)CC2)cc1)N1CCN(CC1)C(=O)C=C
NC(=O)c1ccc(nc1-c1ccc(cc1)C(=O)Nc1ccccc1)C1CCN(CC1)C(=O)C=C
NC(=O)c1ccc(nc1-c1ccc(Cc2ccccc2)cc1)N1CCN(CC1)S(=O)(=O)C=C
NC(=O)c1ccc(nc1-c1ccc(Oc2ccccc2)cc1)C1CCN(CC1)S(=O)(=O)C=C
Cc1ccc(O)cc1-n1nc2c-3c(COc4c(NC(=O)C=C)cccc-34)[nH]c(=O)c2c1N
CN(C)C\C=C\C(=O)Nc1cccc-2c1OCc1[nH]c(=O)c3c(N)n(nc3c-21)-c1cc(O)ccc1C
CN(C)C\C=C\C(=O)Nc1cccc-2c1OCc1[nH]c(=O)c3c(N)n(nc3c-21)-c1ccc(Oc2ccccc2)cc1
Nc1n(nc2c-3c(COc4c(NC(=O)C=C)cccc-34)[nH]c(=O)c12)-c1ccccc1F
CC(C)(C)OC(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3ccccc3[N+]([O-])=O)cc2F)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)C1CCCN(C1)C(=O)C=C
CC(=O)NC(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12
CN\C(=C/[N+]([O-])=O)N1CCCC(C1)n1nc(-c2ccc(Oc3c(F)c(F)cc(F)c3F)cc2F)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4F)cc3F)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
NC(=O)c1ccc(nc1-c1ccc(Oc2ccccc2)cc1)N1CCNCC1
NC(=O)c1ccc(nc1-c1ccc(Oc2ccccc2)cc1)N1CCN(CC1)S(=O)(=O)C=C
NC(=O)c1c(N)n(nc1-c1cnn(Cc2ccccc2)c1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:21.23,wD:23.26,(-5.89,5.04,;-4.35,5.04,;-3.58,6.38,;-3.58,3.71,;-4.06,2.25,;-5.39,1.48,;-2.81,1.34,;-1.57,2.25,;-2.04,3.71,;-1.27,5.04,;-1.75,6.51,;-.5,7.41,;.74,6.51,;2.23,6.91,;3.32,5.82,;2.92,4.33,;4.01,3.24,;5.5,3.64,;5.89,5.13,;4.81,6.22,;.27,5.04,;-2.81,-.2,;-1.73,-1.29,;-2.81,-2.38,;-3.9,-1.29,;-4.06,-3.28,;-3.58,-4.75,;-2.04,-4.75,;-1.57,-3.28,;-1.27,-6.08,;.27,-6.08,;-2.04,-7.41,;-3.58,-7.41,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(Cl)c4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.08,;1.06,-6.08,;-.48,-6.08,;-2.02,-6.08,;-2.79,-7.41,;-2.79,-4.75,;-4.33,-4.75,;-4.8,-3.28,;-3.56,-2.38,;-2.47,-1.29,;-3.56,-.2,;-4.65,-1.29,;-3.56,1.34,;-2.31,2.25,;-2.79,3.71,;-2.02,5.04,;-2.49,6.51,;-1.25,7.41,;-0,6.51,;1.49,6.91,;2.57,5.82,;2.18,4.33,;3.26,3.24,;4.75,3.64,;5.15,5.13,;6.64,5.53,;4.06,6.22,;-.48,5.04,;-4.33,3.71,;-5.1,5.04,;-4.33,6.38,;-6.64,5.04,;-4.8,2.25,;-6.14,1.48,;-2.31,-3.28,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4Cl)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.57,;1.7,-6.97,;.21,-7.37,;-1.28,-7.77,;-1.67,-9.25,;-2.36,-6.68,;-3.9,-6.68,;-4.38,-5.21,;-3.13,-4.31,;-2.05,-3.22,;-3.13,-2.13,;-4.22,-3.22,;-3.13,-.59,;-1.89,.31,;-2.36,1.78,;-1.59,3.11,;-.05,3.11,;.42,4.58,;-.82,5.48,;-.43,6.97,;1.06,7.37,;1.46,8.86,;2.95,9.25,;4.04,8.17,;3.64,6.68,;2.15,6.28,;1.75,4.79,;4.73,5.59,;4.33,4.1,;6.21,5.99,;5.82,4.5,;-2.07,4.58,;-3.9,1.78,;-4.67,3.11,;-3.9,4.45,;-6.21,3.11,;-4.38,.31,;-5.71,-.46,;-1.89,-5.21,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(ccc4C)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.92,;1.7,-7.32,;.21,-7.71,;-1.28,-8.11,;-1.67,-9.6,;-2.36,-7.02,;-3.9,-7.02,;-4.38,-5.56,;-3.13,-4.65,;-2.05,-3.56,;-3.13,-2.48,;-4.22,-3.56,;-3.13,-.94,;-1.89,-.03,;-2.36,1.43,;-1.59,2.77,;-.05,2.77,;.42,4.23,;-.82,5.14,;-.43,6.62,;1.06,7.02,;2.15,5.93,;3.64,6.33,;4.04,7.82,;2.95,8.91,;1.46,8.51,;.37,9.6,;4.73,5.24,;4.33,3.76,;6.21,5.64,;5.82,4.16,;-2.07,4.23,;-3.9,1.43,;-4.67,2.77,;-3.9,4.1,;-6.21,2.77,;-4.38,-.03,;-5.71,-.8,;-1.89,-5.56,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccc(C)c(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.57,;1.7,-6.97,;.21,-7.37,;-1.28,-7.77,;-1.67,-9.25,;-2.36,-6.68,;-3.9,-6.68,;-4.38,-5.21,;-3.13,-4.31,;-2.05,-3.22,;-3.13,-2.13,;-4.22,-3.22,;-3.13,-.59,;-1.89,.31,;-2.36,1.78,;-1.59,3.11,;-.05,3.11,;.42,4.58,;-.82,5.48,;-.43,6.97,;1.06,7.37,;1.46,8.86,;2.95,9.25,;4.04,8.17,;5.52,8.56,;3.64,6.68,;2.15,6.28,;4.73,5.59,;4.33,4.1,;6.21,5.99,;5.82,4.5,;-2.07,4.58,;-3.9,1.78,;-4.67,3.11,;-3.9,4.45,;-6.21,3.11,;-4.38,.31,;-5.71,-.46,;-1.89,-5.21,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4C)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.57,;1.7,-6.97,;.21,-7.37,;-1.28,-7.77,;-1.67,-9.25,;-2.36,-6.68,;-3.9,-6.68,;-4.38,-5.21,;-3.13,-4.31,;-2.05,-3.22,;-3.13,-2.13,;-4.22,-3.22,;-3.13,-.59,;-1.89,.31,;-2.36,1.78,;-1.59,3.11,;-.05,3.11,;.42,4.58,;-.82,5.48,;-.43,6.97,;1.06,7.37,;1.46,8.86,;2.95,9.25,;4.04,8.17,;3.64,6.68,;2.15,6.28,;1.75,4.79,;4.73,5.59,;4.33,4.1,;6.21,5.99,;5.82,4.5,;-2.07,4.58,;-3.9,1.78,;-4.67,3.11,;-3.9,4.45,;-6.21,3.11,;-4.38,.31,;-5.71,-.46,;-1.89,-5.21,)|
COc1ccc(cc1Cn1cc(cn1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O)C(F)(F)F |r,wU:17.18,wD:19.21,(-1.12,9.2,;.37,9.6,;1.46,8.51,;2.95,8.91,;4.04,7.82,;3.64,6.33,;2.15,5.93,;1.06,7.02,;-.43,6.62,;-.82,5.14,;-2.07,4.23,;-1.59,2.77,;-.05,2.77,;.42,4.23,;-2.36,1.43,;-1.89,-.03,;-3.13,-.94,;-3.13,-2.48,;-2.05,-3.56,;-3.13,-4.65,;-4.22,-3.56,;-4.38,-5.56,;-3.9,-7.02,;-2.36,-7.02,;-1.89,-5.56,;-1.28,-8.11,;-1.67,-9.6,;.21,-7.71,;1.7,-7.32,;3.19,-6.92,;-4.38,-.03,;-5.71,-.8,;-3.9,1.43,;-4.67,2.77,;-3.9,4.1,;-6.21,2.77,;4.73,5.24,;4.33,3.76,;6.21,5.64,;5.82,4.16,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(ccc4Cl)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.92,;1.7,-7.32,;.21,-7.71,;-1.28,-8.11,;-1.67,-9.6,;-2.36,-7.02,;-3.9,-7.02,;-4.38,-5.56,;-3.13,-4.65,;-2.05,-3.56,;-3.13,-2.48,;-4.22,-3.56,;-3.13,-.94,;-1.89,-.03,;-2.36,1.43,;-1.59,2.77,;-.05,2.77,;.42,4.23,;-.82,5.14,;-.43,6.62,;1.06,7.02,;2.15,5.93,;3.64,6.33,;4.04,7.82,;2.95,8.91,;1.46,8.51,;.37,9.6,;4.73,5.24,;4.33,3.76,;6.21,5.64,;5.82,4.16,;-2.07,4.23,;-3.9,1.43,;-4.67,2.77,;-3.9,4.1,;-6.21,2.77,;-4.38,-.03,;-5.71,-.8,;-1.89,-5.56,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4OC(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-4.73,-9.84,;-3.96,-8.5,;-3.19,-7.17,;-2.42,-5.84,;-.88,-5.84,;-3.19,-4.5,;-4.73,-4.5,;-5.2,-3.04,;-3.96,-2.13,;-2.87,-1.04,;-3.96,.05,;-5.05,-1.04,;-3.96,1.59,;-2.71,2.49,;-3.19,3.96,;-2.42,5.29,;-2.89,6.75,;-1.65,7.66,;-.4,6.75,;1.09,7.15,;2.18,6.06,;1.78,4.58,;2.87,3.49,;4.35,3.89,;4.75,5.37,;3.66,6.46,;4.06,7.95,;5.55,8.35,;6.64,7.26,;5.95,9.84,;7.04,8.75,;-.88,5.29,;-4.73,3.96,;-5.5,5.29,;-4.73,6.62,;-7.04,5.29,;-5.2,2.49,;-6.54,1.72,;-2.71,-3.04,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4C#N)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(4.54,-9.55,;3,-9.55,;1.46,-9.55,;-.08,-9.55,;-.85,-10.88,;-.85,-8.21,;-2.39,-8.21,;-2.86,-6.75,;-1.62,-5.84,;-.53,-4.75,;-1.62,-3.66,;-2.7,-4.75,;-1.62,-2.12,;-.37,-1.22,;-.85,.25,;-.08,1.58,;1.46,1.58,;1.94,3.04,;.69,3.95,;.69,5.49,;2.03,6.26,;3.36,5.49,;4.7,6.26,;4.7,7.8,;3.36,8.57,;2.03,7.8,;.69,8.57,;-.64,9.34,;3.36,10.11,;4.7,10.88,;2.03,10.88,;4.7,9.34,;-.55,3.04,;-2.39,.25,;-3.16,1.58,;-4.7,1.58,;-2.39,2.91,;-2.86,-1.22,;-4.2,-1.99,;-.37,-6.75,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4C#N)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-3.58,-9.64,;-2.81,-8.3,;-2.04,-6.97,;-1.27,-5.64,;.27,-5.64,;-2.04,-4.3,;-3.58,-4.3,;-4.06,-2.84,;-2.81,-1.93,;-1.73,-.84,;-2.81,.25,;-3.9,-.84,;-2.81,1.79,;-1.57,2.69,;-2.04,4.16,;-1.27,5.49,;-1.75,6.95,;-.5,7.86,;.74,6.95,;2.23,7.35,;3.32,6.26,;2.92,4.78,;4.01,3.69,;5.5,4.09,;5.89,5.57,;4.81,6.66,;5.2,8.15,;5.6,9.64,;.27,5.49,;-3.58,4.16,;-4.35,5.49,;-5.89,5.49,;-3.58,6.82,;-4.06,2.69,;-5.39,1.92,;-1.57,-2.84,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.95,-6.97,;1.41,-6.97,;-.13,-6.97,;-1.67,-6.97,;-2.44,-8.3,;-2.44,-5.64,;-3.98,-5.64,;-4.46,-4.17,;-3.21,-3.27,;-2.12,-2.18,;-3.21,-1.09,;-4.3,-2.18,;-3.21,.45,;-1.97,1.36,;-2.44,2.82,;-1.67,4.16,;-2.15,5.62,;-.9,6.53,;.34,5.62,;1.83,6.02,;2.92,4.93,;2.52,3.44,;3.61,2.35,;5.1,2.75,;5.5,4.24,;4.41,5.33,;4.81,6.82,;3.72,7.9,;5.2,8.3,;6.29,7.21,;-.13,4.16,;-3.98,2.82,;-4.75,4.16,;-3.98,5.49,;-6.29,4.16,;-4.46,1.36,;-5.79,.59,;-1.97,-4.17,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccnc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-2.56,5.04,;-3.04,6.51,;-1.79,7.41,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.02,5.04,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.86,-3.28,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(n4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-2.56,5.04,;-3.04,6.51,;-1.79,7.41,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.02,5.04,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.86,-3.28,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(c3)C(C)c3cccc(c3)C(F)(F)F)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.06,-6.57,;.52,-6.57,;-1.02,-6.57,;-2.56,-6.57,;-3.33,-7.9,;-3.33,-5.24,;-4.87,-5.24,;-5.35,-3.77,;-4.1,-2.87,;-3.01,-1.78,;-4.1,-.69,;-5.19,-1.78,;-4.1,.85,;-2.86,1.76,;-3.33,3.22,;-2.56,4.55,;-3.04,6.02,;-1.79,6.92,;-.55,6.02,;-1.02,4.55,;.94,6.42,;1.34,7.9,;2.03,5.33,;1.63,3.84,;2.72,2.75,;4.21,3.15,;4.61,4.64,;3.52,5.73,;6.09,5.04,;7.18,3.95,;6.09,3.5,;6.49,6.52,;-4.87,3.22,;-5.64,4.55,;-4.87,5.89,;-7.18,4.55,;-5.35,1.76,;-6.68,.99,;-2.86,-3.77,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4C)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.35,-6.23,;1.81,-6.23,;.27,-6.23,;-1.27,-6.23,;-2.04,-7.56,;-2.04,-4.89,;-3.58,-4.89,;-4.06,-3.43,;-2.81,-2.52,;-1.73,-1.43,;-2.81,-.34,;-3.9,-1.43,;-2.81,1.2,;-1.57,2.1,;-2.04,3.57,;-1.27,4.9,;-1.75,6.36,;-.5,7.27,;.74,6.36,;2.23,6.76,;3.32,5.67,;2.92,4.19,;4.01,3.1,;5.5,3.5,;5.89,4.98,;4.81,6.07,;5.2,7.56,;.27,4.9,;-3.58,3.57,;-4.35,4.9,;-3.58,6.23,;-5.89,4.9,;-4.06,2.1,;-5.39,1.33,;-1.57,-3.43,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(c3)[C@@H](C)c3cccc(c3)C(F)(F)F)c(C(N)=O)c2N)C1 |r,wU:10.12,20.22,wD:8.11,(2.06,-6.57,;.52,-6.57,;-1.02,-6.57,;-2.56,-6.57,;-3.33,-7.9,;-3.33,-5.24,;-4.87,-5.24,;-5.35,-3.77,;-4.1,-2.87,;-3.01,-1.78,;-4.1,-.69,;-5.19,-1.78,;-4.1,.85,;-2.86,1.76,;-3.33,3.22,;-2.56,4.55,;-3.04,6.02,;-1.79,6.92,;-.55,6.02,;-1.02,4.55,;.94,6.42,;1.34,7.9,;2.03,5.33,;1.63,3.84,;2.72,2.75,;4.21,3.15,;4.61,4.64,;3.52,5.73,;6.09,5.04,;7.18,3.95,;6.09,3.5,;6.49,6.52,;-4.87,3.22,;-5.64,4.55,;-4.87,5.89,;-7.18,4.55,;-5.35,1.76,;-6.68,.99,;-2.86,-3.77,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(c3)[C@H](C)c3cccc(c3)C(F)(F)F)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,20.22,(2.06,-6.57,;.52,-6.57,;-1.02,-6.57,;-2.56,-6.57,;-3.33,-7.9,;-3.33,-5.24,;-4.87,-5.24,;-5.35,-3.77,;-4.1,-2.87,;-3.01,-1.78,;-4.1,-.69,;-5.19,-1.78,;-4.1,.85,;-2.86,1.76,;-3.33,3.22,;-2.56,4.55,;-3.04,6.02,;-1.79,6.92,;-.55,6.02,;-1.02,4.55,;.94,6.42,;1.34,7.9,;2.03,5.33,;1.63,3.84,;2.72,2.75,;4.21,3.15,;4.61,4.64,;3.52,5.73,;6.09,5.04,;7.18,3.95,;6.09,3.5,;6.49,6.52,;-4.87,3.22,;-5.64,4.55,;-4.87,5.89,;-7.18,4.55,;-5.35,1.76,;-6.68,.99,;-2.86,-3.77,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cn(Cc4cccc(c4)C(F)(F)F)nc3C)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-2.56,5.04,;-1.02,5.04,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.79,7.41,;-3.04,6.51,;-4.37,7.28,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.86,-3.28,)|
CNc1c(C(N)=O)c(nn1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 |r,wU:10.10,wD:12.13,(-7.21,.36,;-6.81,1.85,;-5.32,2.25,;-4.85,3.71,;-5.62,5.04,;-4.85,6.38,;-7.16,5.04,;-3.31,3.71,;-2.83,2.25,;-4.08,1.34,;-4.08,-.2,;-2.99,-1.29,;-4.08,-2.38,;-5.17,-1.29,;-5.32,-3.28,;-4.85,-4.75,;-3.31,-4.75,;-2.83,-3.28,;-2.54,-6.08,;-3.31,-7.41,;-1,-6.08,;-.23,-4.75,;-2.54,5.04,;-3.01,6.51,;-1.77,7.41,;-.52,6.51,;.97,6.91,;2.06,5.82,;1.66,4.33,;2.75,3.24,;4.23,3.64,;4.63,5.13,;3.54,6.22,;6.12,5.53,;7.21,4.44,;6.12,3.99,;6.52,7.01,;-1,5.04,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2c(C)nn(Cc3cccc(c3)C(F)(F)F)c2C)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.56,5.04,;-3.04,6.51,;-4.37,7.28,;-1.79,7.41,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.02,5.04,;-.25,3.71,;-2.86,-3.28,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-2.56,5.04,;-3.04,6.51,;-1.79,7.41,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.02,5.04,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.86,-3.28,)|
CNc1c(C(N)=O)c(nn1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C#CC)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 |r,wU:10.10,wD:12.13,(-7.21,.36,;-6.81,1.85,;-5.32,2.25,;-4.85,3.71,;-5.62,5.04,;-4.85,6.38,;-7.16,5.04,;-3.31,3.71,;-2.83,2.25,;-4.08,1.34,;-4.08,-.2,;-2.99,-1.29,;-4.08,-2.38,;-5.17,-1.29,;-5.32,-3.28,;-4.85,-4.75,;-3.31,-4.75,;-2.83,-3.28,;-2.54,-6.08,;-3.31,-7.41,;-1,-6.08,;.54,-6.08,;2.08,-6.08,;-2.54,5.04,;-3.01,6.51,;-1.77,7.41,;-.52,6.51,;.97,6.91,;2.06,5.82,;1.66,4.33,;2.75,3.24,;4.23,3.64,;4.63,5.13,;3.54,6.22,;6.12,5.53,;7.21,4.44,;6.12,3.99,;6.52,7.01,;-1,5.04,)|
CNc1c(C(N)=O)c(nn1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C#CC)-c1cnn(Cc2cccc(c2)C2CC2)c1 |r,wU:10.10,wD:12.13,(-6.24,-1.53,;-5.84,-.04,;-4.35,.36,;-3.88,1.82,;-4.65,3.16,;-3.88,4.49,;-6.19,3.16,;-2.34,1.82,;-1.86,.36,;-3.11,-.55,;-3.11,-2.09,;-2.02,-3.17,;-3.11,-4.26,;-4.2,-3.17,;-4.35,-5.17,;-3.88,-6.63,;-2.34,-6.63,;-1.86,-5.17,;-1.57,-7.97,;-2.34,-9.3,;-.03,-7.97,;1.51,-7.97,;3.05,-7.97,;-1.57,3.16,;-.03,3.16,;.45,4.62,;-.8,5.53,;-.4,7.02,;1.09,7.41,;1.49,8.9,;2.97,9.3,;4.06,8.21,;3.66,6.72,;2.18,6.33,;4.75,5.63,;5.15,4.15,;6.24,5.24,;-2.04,4.62,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3ccn(Cc4cccc(c4)C(F)(F)F)n3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-2.56,5.04,;-3.04,6.51,;-1.79,7.41,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.02,5.04,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.86,-3.28,)|
NC(=O)c1c(N)n(nc1-c1cnn(Cc2cccc(c2F)C(F)(F)F)c1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.28,wD:28.31,(-4.87,6.23,;-5.64,4.9,;-7.18,4.9,;-4.87,3.57,;-5.35,2.1,;-6.68,1.33,;-4.1,1.2,;-2.86,2.1,;-3.33,3.57,;-2.56,4.9,;-3.04,6.36,;-1.79,7.27,;-.55,6.36,;.94,6.76,;2.03,5.67,;1.63,4.19,;2.72,3.1,;4.21,3.5,;4.61,4.98,;3.52,6.07,;3.92,7.56,;6.09,5.38,;7.18,4.29,;6.09,3.84,;6.49,6.87,;-1.02,4.9,;-4.1,-.34,;-3.01,-1.43,;-4.1,-2.52,;-5.19,-1.43,;-5.35,-3.43,;-4.87,-4.89,;-3.33,-4.89,;-2.86,-3.43,;-2.56,-6.23,;-3.33,-7.56,;-1.02,-6.23,;-.25,-7.56,)|
CNc1c(C(N)=O)c(nn1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C#CC)-c1cnn(Cc2cccc(Cl)c2)c1 |r,wU:10.10,wD:12.13,(-5.84,1,;-4.75,-.08,;-3.27,.31,;-2.79,1.78,;-3.56,3.11,;-2.79,4.45,;-5.1,3.11,;-1.25,1.78,;-.77,.31,;-2.02,-.59,;-2.02,-2.13,;-.93,-3.22,;-2.02,-4.31,;-3.11,-3.22,;-3.27,-5.21,;-2.79,-6.68,;-1.25,-6.68,;-.77,-5.21,;-.16,-7.77,;-.56,-9.25,;1.33,-7.37,;2.81,-6.97,;4.3,-6.57,;-.48,3.11,;1.06,3.11,;1.54,4.58,;.29,5.48,;.69,6.97,;2.18,7.37,;2.58,8.86,;4.06,9.25,;5.15,8.17,;4.75,6.68,;5.84,5.59,;3.27,6.28,;-.96,4.58,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.08,;1.06,-6.08,;-.48,-6.08,;-2.02,-6.08,;-2.79,-7.41,;-2.79,-4.75,;-4.33,-4.75,;-4.8,-3.28,;-3.56,-2.38,;-2.47,-1.29,;-3.56,-.2,;-4.65,-1.29,;-3.56,1.34,;-2.31,2.25,;-2.79,3.71,;-2.02,5.04,;-2.49,6.51,;-1.25,7.41,;-0,6.51,;1.49,6.91,;2.57,5.82,;2.18,4.33,;3.26,3.24,;4.75,3.64,;5.15,5.13,;6.64,5.53,;4.06,6.22,;-.48,5.04,;-4.33,3.71,;-5.1,5.04,;-4.33,6.38,;-6.64,5.04,;-4.8,2.25,;-6.14,1.48,;-2.31,-3.28,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccc(F)cc4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3,-6.08,;1.46,-6.08,;-.08,-6.08,;-1.62,-6.08,;-2.39,-7.41,;-2.39,-4.75,;-3.93,-4.75,;-4.41,-3.28,;-3.16,-2.38,;-2.07,-1.29,;-3.16,-.2,;-4.25,-1.29,;-3.16,1.34,;-1.91,2.25,;-2.39,3.71,;-1.62,5.04,;-2.1,6.51,;-.85,7.41,;.4,6.51,;1.88,6.91,;2.97,5.82,;2.57,4.33,;3.66,3.24,;5.15,3.64,;6.24,2.55,;5.55,5.13,;4.46,6.22,;-.08,5.04,;-3.93,3.71,;-4.7,5.04,;-3.93,6.38,;-6.24,5.04,;-4.41,2.25,;-5.74,1.48,;-1.91,-3.28,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccc(F)c(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.22,-4.69,;.73,-5.08,;-.76,-5.48,;-2.24,-5.88,;-2.64,-7.37,;-3.33,-4.79,;-4.87,-4.79,;-5.35,-3.33,;-4.1,-2.42,;-3.01,-1.33,;-4.1,-.24,;-5.19,-1.33,;-4.1,1.3,;-2.86,2.2,;-3.33,3.67,;-2.56,5,;-3.04,6.46,;-1.79,7.37,;-.55,6.46,;.94,6.86,;2.03,5.77,;1.63,4.29,;2.72,3.2,;4.21,3.6,;5.3,2.51,;4.61,5.08,;3.52,6.17,;6.09,5.48,;7.18,4.39,;6.09,3.94,;6.49,6.97,;-1.02,5,;-4.87,3.67,;-5.64,5,;-7.18,5,;-4.87,6.33,;-5.35,2.2,;-6.68,1.43,;-2.86,-3.33,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(F)cc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.22,-4.69,;.73,-5.08,;-.76,-5.48,;-2.24,-5.88,;-2.64,-7.37,;-3.33,-4.79,;-4.87,-4.79,;-5.35,-3.33,;-4.1,-2.42,;-3.01,-1.33,;-4.1,-.24,;-5.19,-1.33,;-4.1,1.3,;-2.86,2.2,;-3.33,3.67,;-2.56,5,;-3.04,6.46,;-1.79,7.37,;-.55,6.46,;.94,6.86,;2.03,5.77,;1.63,4.29,;2.72,3.2,;2.32,1.71,;4.21,3.6,;4.61,5.08,;3.52,6.17,;6.09,5.48,;7.18,4.39,;6.09,3.94,;6.49,6.97,;-1.02,5,;-4.87,3.67,;-5.64,5,;-7.18,5,;-4.87,6.33,;-5.35,2.2,;-6.68,1.43,;-2.86,-3.33,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(ccc4F)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.22,-4.69,;.73,-5.08,;-.76,-5.48,;-2.24,-5.88,;-2.64,-7.37,;-3.33,-4.79,;-4.87,-4.79,;-5.35,-3.33,;-4.1,-2.42,;-3.01,-1.33,;-4.1,-.24,;-5.19,-1.33,;-4.1,1.3,;-2.86,2.2,;-3.33,3.67,;-2.56,5,;-3.04,6.46,;-1.79,7.37,;-.55,6.46,;.94,6.86,;2.03,5.77,;3.52,6.17,;4.61,5.08,;4.21,3.6,;2.72,3.2,;1.63,4.29,;.14,3.89,;6.09,5.48,;7.18,4.39,;6.09,3.94,;6.49,6.97,;-1.02,5,;-4.87,3.67,;-5.64,5,;-7.18,5,;-4.87,6.33,;-5.35,2.2,;-6.68,1.43,;-2.86,-3.33,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4F)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.22,-4.83,;.73,-5.23,;-.76,-5.63,;-2.24,-6.03,;-2.64,-7.51,;-3.33,-4.94,;-4.87,-4.94,;-5.35,-3.47,;-4.1,-2.57,;-3.01,-1.48,;-4.1,-.39,;-5.19,-1.48,;-4.1,1.15,;-2.86,2.06,;-3.33,3.52,;-2.56,4.85,;-3.04,6.32,;-1.79,7.22,;-.55,6.32,;.94,6.72,;2.03,5.63,;1.63,4.14,;2.72,3.05,;4.21,3.45,;4.61,4.94,;3.52,6.03,;3.92,7.51,;6.09,5.34,;7.18,4.25,;6.09,3.8,;6.49,6.82,;-1.02,4.85,;-4.87,3.52,;-5.64,4.85,;-7.18,4.85,;-4.87,6.19,;-5.35,2.06,;-6.68,1.29,;-2.86,-3.47,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cn(Cc4cccc(Cl)c4)nc3C)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-4.33,-8.75,;-3.56,-7.41,;-2.79,-6.08,;-2.02,-4.75,;-.48,-4.75,;-2.79,-3.41,;-4.33,-3.41,;-4.8,-1.95,;-3.56,-1.04,;-2.47,.05,;-3.56,1.13,;-4.65,.05,;-3.56,2.67,;-2.31,3.58,;-2.79,5.04,;-2.02,6.38,;-.48,6.38,;-0,7.84,;1.49,8.24,;2.57,7.15,;2.18,5.66,;3.26,4.58,;4.75,4.97,;5.15,6.46,;6.64,6.86,;4.06,7.55,;-1.25,8.75,;-2.49,7.84,;-3.83,8.61,;-4.33,5.04,;-5.1,6.38,;-4.33,7.71,;-6.64,6.38,;-4.8,3.58,;-6.14,2.81,;-2.31,-1.95,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cn(Cc4cccc(c4)C(F)F)nc3C)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-4.87,-8.75,;-4.1,-7.41,;-3.33,-6.08,;-2.56,-4.75,;-1.02,-4.75,;-3.33,-3.41,;-4.87,-3.41,;-5.35,-1.95,;-4.1,-1.04,;-3.01,.05,;-4.1,1.13,;-5.19,.05,;-4.1,2.67,;-2.86,3.58,;-3.33,5.04,;-2.56,6.38,;-1.02,6.38,;-.55,7.84,;.94,8.24,;2.03,7.15,;1.63,5.66,;2.72,4.58,;4.21,4.97,;4.61,6.46,;3.52,7.55,;6.09,6.86,;6.49,8.35,;7.18,5.77,;-1.79,8.75,;-3.04,7.84,;-4.37,8.61,;-4.87,5.04,;-5.64,6.38,;-7.18,6.38,;-4.87,7.71,;-5.35,3.58,;-6.68,2.81,;-2.86,-1.95,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-4.87,-8.75,;-4.1,-7.41,;-3.33,-6.08,;-2.56,-4.75,;-1.02,-4.75,;-3.33,-3.41,;-4.87,-3.41,;-5.35,-1.95,;-4.1,-1.04,;-3.01,.05,;-4.1,1.13,;-5.19,.05,;-4.1,2.67,;-2.86,3.58,;-3.33,5.04,;-2.56,6.38,;-3.04,7.84,;-1.79,8.75,;-.55,7.84,;.94,8.24,;2.03,7.15,;1.63,5.66,;2.72,4.58,;4.21,4.97,;4.61,6.46,;3.52,7.55,;6.09,6.86,;6.49,8.35,;7.18,5.77,;-1.02,6.38,;-4.87,5.04,;-5.64,6.38,;-7.18,6.38,;-4.87,7.71,;-5.35,3.58,;-6.68,2.81,;-2.86,-1.95,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cn(Cc4cccc(c4)C4CC4)nc3C)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-5.07,-8.75,;-4.3,-7.41,;-3.53,-6.08,;-2.76,-4.75,;-1.22,-4.75,;-3.53,-3.41,;-5.07,-3.41,;-5.55,-1.95,;-4.3,-1.04,;-3.21,.05,;-4.3,1.13,;-5.39,.05,;-4.3,2.67,;-3.06,3.58,;-3.53,5.04,;-2.76,6.38,;-1.22,6.38,;-.75,7.84,;.74,8.24,;1.83,7.15,;1.43,5.66,;2.52,4.58,;4.01,4.97,;4.41,6.46,;3.32,7.55,;5.89,6.86,;7.38,6.46,;6.98,7.95,;-1.99,8.75,;-3.24,7.84,;-4.57,8.61,;-5.07,5.04,;-5.84,6.38,;-7.38,6.38,;-5.07,7.71,;-5.55,3.58,;-6.88,2.81,;-3.06,-1.95,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(C)cc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.22,-4.69,;.73,-5.08,;-.76,-5.48,;-2.24,-5.88,;-2.64,-7.37,;-3.33,-4.79,;-4.87,-4.79,;-5.35,-3.33,;-4.1,-2.42,;-3.01,-1.33,;-4.1,-.24,;-5.19,-1.33,;-4.1,1.3,;-2.86,2.2,;-3.33,3.67,;-2.56,5,;-3.04,6.46,;-1.79,7.37,;-.55,6.46,;.94,6.86,;2.03,5.77,;1.63,4.29,;2.72,3.2,;2.32,1.71,;4.21,3.6,;4.61,5.08,;3.52,6.17,;6.09,5.48,;6.49,6.97,;7.18,4.39,;6.09,3.94,;-1.02,5,;-4.87,3.67,;-5.64,5,;-7.18,5,;-4.87,6.33,;-5.35,2.2,;-6.68,1.43,;-2.86,-3.33,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(Cl)cc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.22,-4.69,;.73,-5.08,;-.76,-5.48,;-2.24,-5.88,;-2.64,-7.37,;-3.33,-4.79,;-4.87,-4.79,;-5.35,-3.33,;-4.1,-2.42,;-3.01,-1.33,;-4.1,-.24,;-5.19,-1.33,;-4.1,1.3,;-2.86,2.2,;-3.33,3.67,;-2.56,5,;-3.04,6.46,;-1.79,7.37,;-.55,6.46,;.94,6.86,;2.03,5.77,;1.63,4.29,;2.72,3.2,;2.32,1.71,;4.21,3.6,;4.61,5.08,;3.52,6.17,;6.09,5.48,;6.49,6.97,;7.18,4.39,;6.09,3.94,;-1.02,5,;-4.87,3.67,;-5.64,5,;-7.18,5,;-4.87,6.33,;-5.35,2.2,;-6.68,1.43,;-2.86,-3.33,)|
CC#CC(=O)N1CC2(CC(C2)n2nc(-c3cnn(Cc4cc(C)cc(C)c4)c3)c(C(N)=O)c2N)C1
NC(=O)c1c(N)n(nc1-c1cnn(Cc2ccccc2)c1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C#CC1CC1 |r,wU:21.23,wD:23.26,(-5.89,7.15,;-4.35,7.15,;-3.58,8.48,;-3.58,5.81,;-4.06,4.35,;-5.39,3.58,;-2.81,3.44,;-1.57,4.35,;-2.04,5.81,;-1.27,7.15,;-1.75,8.61,;-.5,9.52,;.74,8.61,;2.23,9.01,;3.32,7.92,;2.92,6.43,;4.01,5.35,;5.5,5.74,;5.89,7.23,;4.81,8.32,;.27,7.15,;-2.81,1.9,;-1.73,.82,;-2.81,-.27,;-3.9,.82,;-4.06,-1.18,;-3.58,-2.64,;-2.04,-2.64,;-1.57,-1.18,;-1.27,-3.98,;.27,-3.98,;-2.04,-5.31,;-2.81,-6.64,;-3.58,-7.98,;-4.92,-8.75,;-3.58,-9.52,)|
NC(=O)c1c(N)n(nc1-c1cnn(Cc2cccc(c2)C(F)(F)F)c1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.27,wD:27.30,(-7.18,5.04,;-5.64,5.04,;-4.87,6.38,;-4.87,3.71,;-5.35,2.25,;-6.68,1.48,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-2.56,5.04,;-3.04,6.51,;-1.79,7.41,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.49,7.01,;6.09,3.99,;-1.02,5.04,;-4.1,-.2,;-3.01,-1.29,;-4.1,-2.38,;-5.19,-1.29,;-5.35,-3.28,;-4.87,-4.75,;-3.33,-4.75,;-2.86,-3.28,;-2.56,-6.08,;-3.33,-7.41,;-1.02,-6.08,;-.25,-7.41,)|
NC(=O)c1c(N)n(nc1-c1cnn(Cc2cccc(c2)C2CC2)c1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,wD:26.30,(-7.38,5.04,;-5.84,5.04,;-5.07,6.38,;-5.07,3.71,;-5.55,2.25,;-6.88,1.48,;-4.3,1.34,;-3.06,2.25,;-3.53,3.71,;-2.76,5.04,;-3.24,6.51,;-1.99,7.41,;-.75,6.51,;.74,6.91,;1.83,5.82,;1.43,4.33,;2.52,3.24,;4.01,3.64,;4.41,5.13,;3.32,6.22,;5.89,5.53,;7.38,5.13,;6.98,6.62,;-1.22,5.04,;-4.3,-.2,;-3.21,-1.29,;-4.3,-2.38,;-5.39,-1.29,;-5.55,-3.28,;-5.07,-4.75,;-3.53,-4.75,;-3.06,-3.28,;-2.76,-6.08,;-3.53,-7.41,;-1.22,-6.08,;-.45,-7.41,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-3.58,-8.75,;-2.81,-7.41,;-2.04,-6.08,;-1.27,-4.75,;.27,-4.75,;-2.04,-3.41,;-3.58,-3.41,;-4.06,-1.95,;-2.81,-1.04,;-1.73,.05,;-2.81,1.13,;-3.9,.05,;-2.81,2.67,;-1.57,3.58,;-2.04,5.04,;-1.27,6.38,;-1.75,7.84,;-.5,8.75,;.74,7.84,;2.23,8.24,;3.32,7.15,;2.92,5.66,;4.01,4.58,;5.5,4.97,;5.89,6.46,;4.81,7.55,;.27,6.38,;-3.58,5.04,;-4.35,6.38,;-5.89,6.38,;-3.58,7.71,;-4.06,3.58,;-5.39,2.81,;-1.57,-1.95,)|
CC#CC(=O)N1CC2(CC(C2)n2nc(-c3cnn(Cc4ccccc4)c3)c(C(N)=O)c2N)C1
CC#CC(=O)N1CC2(CC(C2)n2nc(-c3cnn(Cc4cc(C)cc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1
CC#CC(=O)N1CC2(CC(C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1
NC(=O)c1c(N)n(nc1-c1cnn(Cc2ccccc2)c1)C1CC2(C1)CN(C2)C(=O)C=C
CC#CC(=O)N1CC2(CC(C2)n2nc(-c3cnn(Cc4cc(cc(c4)C(F)(F)F)C(F)(F)F)c3)c(C(N)=O)c2N)C1
CC#CC(=O)N1CC2(CC(C2)n2nc(-c3cnn(Cc4ccc(cc4)C(F)(F)F)c3)c(C(N)=O)c2N)C1
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C4CC4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(1.86,-6.08,;.32,-6.08,;-1.22,-6.08,;-2.76,-6.08,;-3.53,-7.41,;-3.53,-4.75,;-5.07,-4.75,;-5.55,-3.28,;-4.3,-2.38,;-3.21,-1.29,;-4.3,-.2,;-5.39,-1.29,;-4.3,1.34,;-3.06,2.25,;-3.53,3.71,;-2.76,5.04,;-3.24,6.51,;-1.99,7.41,;-.75,6.51,;.74,6.91,;1.83,5.82,;1.43,4.33,;2.52,3.24,;4.01,3.64,;4.41,5.13,;3.32,6.22,;5.89,5.53,;7.38,5.13,;6.98,6.62,;-1.22,5.04,;-5.07,3.71,;-5.84,5.04,;-7.38,5.04,;-5.07,6.38,;-5.55,2.25,;-6.88,1.48,;-3.06,-3.28,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cn(Cc4cccc(C)c4)nc3C)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.76,-4.69,;1.28,-5.08,;-.21,-5.48,;-1.7,-5.88,;-2.1,-7.37,;-2.79,-4.79,;-4.33,-4.79,;-4.8,-3.33,;-3.56,-2.42,;-2.47,-1.33,;-3.56,-.24,;-4.65,-1.33,;-3.56,1.3,;-2.31,2.2,;-2.79,3.67,;-2.02,5,;-.48,5,;-0,6.46,;1.49,6.86,;2.57,5.77,;2.18,4.29,;3.26,3.2,;4.75,3.6,;5.15,5.08,;6.64,5.48,;4.06,6.17,;-1.25,7.37,;-2.49,6.46,;-3.83,7.23,;-4.33,3.67,;-5.1,5,;-6.64,5,;-4.33,6.33,;-4.8,2.2,;-6.14,1.43,;-2.31,-3.33,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4Cl)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.23,;1.06,-6.23,;-.48,-6.23,;-2.02,-6.23,;-2.79,-7.56,;-2.79,-4.89,;-4.33,-4.89,;-4.8,-3.43,;-3.56,-2.52,;-2.47,-1.43,;-3.56,-.34,;-4.65,-1.43,;-3.56,1.2,;-2.31,2.1,;-2.79,3.57,;-2.02,4.9,;-2.49,6.36,;-1.25,7.27,;-0,6.36,;1.49,6.76,;2.57,5.67,;2.18,4.19,;3.26,3.1,;4.75,3.5,;5.15,4.98,;6.64,5.38,;4.06,6.07,;4.46,7.56,;-.48,4.9,;-4.33,3.57,;-5.1,4.9,;-4.33,6.23,;-6.64,4.9,;-4.8,2.1,;-6.14,1.33,;-2.31,-3.43,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4Cl)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.35,-6.23,;1.81,-6.23,;.27,-6.23,;-1.27,-6.23,;-2.04,-7.56,;-2.04,-4.89,;-3.58,-4.89,;-4.06,-3.43,;-2.81,-2.52,;-1.73,-1.43,;-2.81,-.34,;-3.9,-1.43,;-2.81,1.2,;-1.57,2.1,;-2.04,3.57,;-1.27,4.9,;-1.75,6.36,;-.5,7.27,;.74,6.36,;2.23,6.76,;3.32,5.67,;2.92,4.19,;4.01,3.1,;5.5,3.5,;5.89,4.98,;4.81,6.07,;5.2,7.56,;.27,4.9,;-3.58,3.57,;-4.35,4.9,;-3.58,6.23,;-5.89,4.9,;-4.06,2.1,;-5.39,1.33,;-1.57,-3.43,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(F)ccc4Cl)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.35,-6.23,;1.81,-6.23,;.27,-6.23,;-1.27,-6.23,;-2.04,-7.56,;-2.04,-4.89,;-3.58,-4.89,;-4.06,-3.43,;-2.81,-2.52,;-1.73,-1.43,;-2.81,-.34,;-3.9,-1.43,;-2.81,1.2,;-1.57,2.1,;-2.04,3.57,;-1.27,4.9,;-1.75,6.36,;-.5,7.27,;.74,6.36,;2.23,6.76,;3.32,5.67,;2.92,4.19,;4.01,3.1,;3.61,1.61,;5.5,3.5,;5.89,4.98,;4.81,6.07,;5.2,7.56,;.27,4.9,;-3.58,3.57,;-4.35,4.9,;-3.58,6.23,;-5.89,4.9,;-4.06,2.1,;-5.39,1.33,;-1.57,-3.43,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.97,;1.06,-6.97,;-.48,-6.97,;-2.02,-6.97,;-2.79,-8.3,;-2.79,-5.64,;-4.33,-5.64,;-4.8,-4.17,;-3.56,-3.27,;-2.47,-2.18,;-3.56,-1.09,;-4.65,-2.18,;-3.56,.45,;-2.31,1.36,;-2.79,2.82,;-2.02,4.16,;-2.49,5.62,;-1.25,6.53,;-0,5.62,;1.49,6.02,;2.57,4.93,;2.18,3.44,;3.26,2.35,;4.75,2.75,;5.15,4.24,;6.64,4.64,;4.06,5.33,;4.46,6.82,;5.95,7.21,;3.37,7.9,;4.86,8.3,;-.48,4.16,;-4.33,2.82,;-5.1,4.16,;-4.33,5.49,;-6.64,4.16,;-4.8,1.36,;-6.14,.59,;-2.31,-4.17,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(F)ccc4C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.95,-6.97,;1.41,-6.97,;-.13,-6.97,;-1.67,-6.97,;-2.44,-8.3,;-2.44,-5.64,;-3.98,-5.64,;-4.46,-4.17,;-3.21,-3.27,;-2.12,-2.18,;-3.21,-1.09,;-4.3,-2.18,;-3.21,.45,;-1.97,1.36,;-2.44,2.82,;-1.67,4.16,;-2.15,5.62,;-.9,6.53,;.34,5.62,;1.83,6.02,;2.92,4.93,;2.52,3.44,;3.61,2.35,;3.21,.87,;5.1,2.75,;5.5,4.24,;4.41,5.33,;4.81,6.82,;6.29,7.21,;3.72,7.9,;5.2,8.3,;-.13,4.16,;-3.98,2.82,;-4.75,4.16,;-3.98,5.49,;-6.29,4.16,;-4.46,1.36,;-5.79,.59,;-1.97,-4.17,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccc(Cl)c(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.57,;1.7,-6.97,;.21,-7.37,;-1.28,-7.77,;-1.67,-9.25,;-2.36,-6.68,;-3.9,-6.68,;-4.38,-5.21,;-3.13,-4.31,;-2.05,-3.22,;-3.13,-2.13,;-4.22,-3.22,;-3.13,-.59,;-1.89,.31,;-2.36,1.78,;-1.59,3.11,;-.05,3.11,;.42,4.58,;-.82,5.48,;-.43,6.97,;1.06,7.37,;1.46,8.86,;2.95,9.25,;4.04,8.17,;5.52,8.56,;3.64,6.68,;2.15,6.28,;4.73,5.59,;6.21,5.99,;5.82,4.5,;4.33,4.1,;-2.07,4.58,;-3.9,1.78,;-4.67,3.11,;-3.9,4.45,;-6.21,3.11,;-4.38,.31,;-5.71,-.46,;-1.89,-5.21,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.23,;1.06,-6.23,;-.48,-6.23,;-2.02,-6.23,;-2.79,-7.56,;-2.79,-4.89,;-4.33,-4.89,;-4.8,-3.43,;-3.56,-2.52,;-2.47,-1.43,;-3.56,-.34,;-4.65,-1.43,;-3.56,1.2,;-2.31,2.1,;-2.79,3.57,;-2.02,4.9,;-2.49,6.36,;-1.25,7.27,;-0,6.36,;1.49,6.76,;2.57,5.67,;2.18,4.19,;3.26,3.1,;4.75,3.5,;5.15,4.98,;6.64,5.38,;4.06,6.07,;4.46,7.56,;-.48,4.9,;-4.33,3.57,;-5.1,4.9,;-4.33,6.23,;-6.64,4.9,;-4.8,2.1,;-6.14,1.33,;-2.31,-3.43,)|
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.35,-6.23,;1.81,-6.23,;.27,-6.23,;-1.27,-6.23,;-2.04,-7.56,;-2.04,-4.89,;-3.58,-4.89,;-4.06,-3.43,;-2.81,-2.52,;-1.73,-1.43,;-2.81,-.34,;-3.9,-1.43,;-2.81,1.2,;-1.57,2.1,;-2.04,3.57,;-1.27,4.9,;-1.75,6.36,;-.5,7.27,;.74,6.36,;2.23,6.76,;3.32,5.67,;2.92,4.19,;4.01,3.1,;5.5,3.5,;5.89,4.98,;4.81,6.07,;5.2,7.56,;.27,4.9,;-3.58,3.57,;-4.35,4.9,;-3.58,6.23,;-5.89,4.9,;-4.06,2.1,;-5.39,1.33,;-1.57,-3.43,)|
CC#CC(=O)N1CCC2(CC(C2)C2(CC=C(OC(C)C)C(N)=C2)NC(=O)c2cn[nH]c2)C1 |c:22,t:15,(9.7,.97,;8.29,.35,;6.88,-.28,;5.47,-.91,;5.31,-2.44,;4.23,,;4.23,1.54,;2.76,2.02,;1.86,.77,;.77,1.86,;-.32,.77,;.77,-.32,;-1.86,.77,;-1.59,-.75,;-2.77,-1.74,;-4.22,-1.21,;-5.4,-2.2,;-6.85,-1.67,;-8.02,-2.66,;-7.11,-.16,;-4.49,.31,;-5.93,.83,;-3.31,1.3,;-1.59,2.29,;-2.77,3.28,;-4.22,2.75,;-2.5,4.79,;-1.12,5.47,;-1.33,6.99,;-2.85,7.26,;-3.57,5.9,;2.76,-.48,)|
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
CN1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:10.10|
CC(C1COC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:9.9|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCNCC1 |r,w:3.2|
Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccccc1
CNC(=O)Nc1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc(C)c(NC(=O)C=C)c4)c3c2c1
CNC(=O)c1ccc(c(F)c1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
FC(F)(F)c1cccc(OCc2ccc(cc2)-c2ccc3ncc4ccc(=O)n(-c5ccc6CCN(C(=O)C=C)c6c5)c4c3c2)c1
CC(C)(C)NS(=O)(=O)c1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(COc2cccc(c2)C(F)(F)F)cc1
Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(cc1)C(N)=O
Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(\C=C\c3ccccc3)cc21
CN1CCN(CC1)c1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc2OCCOc2c1
Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnn(C)c1
Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(N)nc1
Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(NC(=O)C=C)c4)c3c2c1
C=CC(=O)Nc1cccc(c1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccsc1
Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccoc1
Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cccnc1
C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Nc1cc(c(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1)C(F)(F)F
Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
CN(C\C=C\CN1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnn(C)c1)CC#C
NC(=O)c1c2NC[C@H]3CN(CC[C@H]3n2nc1-c1ccc(Oc2ccccc2)cc1)C(=O)C=C |r|
NC(=O)c1c2NC[C@@H]3CN(CC[C@@H]3n2nc1-c1ccc(Oc2ccccc2)cc1)C(=O)C=C |r|
NC(=O)c1c2CCCc3cc(ccc3-n2nc1-c1ccc(Oc2ccccc2)cc1)[N+]([O-])=O
CC(C)(C)OC(=O)N1C[C@@H]2CNc3c(C(N)=O)c(nn3[C@@H]2C1)-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c2NC[C@H]3CNC[C@H]3n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1c2NC[C@H]3CN(C[C@H]3n2nc1-c1ccc(Oc2ccccc2)cc1)C(=O)C=C |r|
NC(=O)c1c2NCCC(C3CC(C3)NC(=O)C=C)n2nc1-c1ccc(OCCc2ccccc2)cc1 |(-7.24,-3.7,;-6.15,-2.61,;-6.54,-1.12,;-4.66,-3.01,;-4.18,-4.47,;-4.95,-5.8,;-4.18,-7.14,;-2.64,-7.14,;-1.87,-5.8,;-.33,-5.8,;.76,-6.89,;1.85,-5.8,;.76,-4.72,;3.39,-5.8,;4.93,-5.8,;5.7,-4.47,;5.7,-7.14,;7.24,-7.14,;-2.64,-4.47,;-2.17,-3.01,;-3.41,-2.1,;-3.41,-.56,;-4.75,.21,;-4.75,1.75,;-3.41,2.52,;-3.41,4.06,;-2.08,4.83,;-.75,4.06,;.59,4.83,;1.92,4.06,;3.26,4.83,;3.26,6.37,;1.92,7.14,;.59,6.37,;-2.08,1.75,;-2.08,.21,)|
NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)\C=C\CN3CCN(CCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@H]4SC[C@H]5NC(=O)N[C@@H]45)CC3)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
C=CC(=O)N1CCCC(C1)c1cc2cn[nH]c2c(n1)-c1ccc(CN2CCOCC2)cc1
C=CC(=O)N1CCCC(C1)c1cc2cn[nH]c2c(n1)-c1ccc(OC2COC2)cc1
C=CC(=O)N1CCCC(C1)c1cc2cn[nH]c2c(n1)-c1ccc(Oc2ccccc2)cc1
CN(C)C\C=C\C(=O)N1CCCC(C1)c1cc2cn[nH]c2c(n1)-c1ccc(Oc2ccccc2)cc1
C=CS(=O)(=O)N1CCCC(C1)c1cc2cn[nH]c2c(n1)-c1ccc(Oc2ccccc2)cc1
C=CC(=O)N1CCC(C1)c1cc2cn[nH]c2c(n1)-c1ccc(Oc2ccccc2)cc1
C=CC(=O)N1CCC(CC1)c1cc2cn[nH]c2c(n1)-c1ccc(Oc2ccccc2)cc1
C=CC(=O)Nc1cccc(c1)-c1cc2cn[nH]c2c(n1)-c1ccc(Oc2ccccc2)cc1
C=CC(=O)N1CCN(CC1)c1cc2cn[nH]c2c(n1)-c1ccc(Oc2ccccc2)cc1
C=CC(=O)NC1CCN(C1)c1cc2cn[nH]c2c(n1)-c1ccc(Oc2ccccc2)cc1
C=CC(=O)N1CCC(C1)Nc1cc2cn[nH]c2c(n1)-c1ccc(Oc2ccccc2)cc1
CC(=O)Nc1c(C)cc(nc1-c1ccc(OC2CCCC2)cc1)C1CCN(CC1)C(=O)C=C
CC(=O)Nc1c(C)cc(nc1-c1ccc(Oc2ccccn2)cc1)C1CCN(CC1)C(=O)C=C
Fc1cc(Oc2ccccc2)ccc1-c1nc(cc2cn[nH]c12)C1CCN(CC1)C(=O)C=C
Fc1cccc(Oc2ccc(cc2)-c2nc(cc3cn[nH]c23)C2CCN(CC2)C(=O)C=C)c1
C=CC(=O)N1CCC(CC1)c1cc2cn[nH]c2c(n1)-c1ccc(CN2CCCC2)cc1
CC#CC(=O)N1CCCC(C1)c1cc2cn[nH]c2c(n1)-c1ccc(Oc2ccccc2)cc1
C=CC(=O)N1CCC(C1)c1cc2cn[nH]c2c(n1)-c1ccc(cc1)C(=O)Nc1ccccn1
CC#CC(=O)N1CCC(C1)c1cc2cn[nH]c2c(n1)-c1ccc(cc1)C(=O)Nc1ccccn1
C=CC(=O)N1CCCC(C1)c1cc(-c2ccc(Oc3ccccc3)cc2)c2[nH]ncc2c1
C=CC(=O)N1CCCC1c1cc2cn[nH]c2c(n1)-c1ccc(Oc2ccccc2)cc1
C=CC(=O)N1CC[C@@H](C1)c1cc2cn[nH]c2c(n1)-c1ccc(Oc2ccccc2)cc1 |r|
C=CC(=O)N1CC[C@H](C1)c1cc2cn[nH]c2c(n1)-c1ccc(Oc2ccccc2)cc1 |r|
C=CC(=O)N1CC[C@H](C1)n1c2ccncc2n(-c2ccc(Oc3ccccc3)cc2)c1=O
COc1cccc(Oc2ccc(cc2)-n2c3cnccc3n([C@@H]3CCN(C3)C(=O)C=C)c2=O)c1
Cc1cccc(Oc2ccc(cc2)-n2c3cnccc3n([C@@H]3CCN(C3)C(=O)C=C)c2=O)c1
Clc1cc(ccc1Oc1ccccc1)-n1c2cnccc2n([C@@H]2CCN(C2)C(=O)C=C)c1=O
COc1cccc(Oc2ccc(cc2)-n2c3cnccc3n([C@H]3CCCN(C3)C(=O)C=C)c2=O)c1Cl
Cc1cccc(Oc2ccc(cc2Cl)-n2c3cnccc3n([C@@H]3CCN(C3)C(=O)C=C)c2=O)c1
CC(C)Oc1cccc(Oc2ccc(cc2)-n2c3cnccc3n([C@@H]3CCN(C3)C(=O)C=C)c2=O)c1
C=CC(=O)N1CCC(CC1)n1c2ccncc2n(-c2ccc(Oc3ccccc3)cc2)c1=O
Clc1ccc(Oc2ccc(cc2)-n2c3cnccc3n([C@@H]3CCN(C3)C(=O)C=C)c2=O)cc1Cl
Fc1cc(ccc1Oc1cccc(Cl)c1)-n1c2cnccc2n(-c2cccc(NC(=O)C=C)c2)c1=O
Fc1c(Cl)cccc1Oc1ccc(cc1)-n1c2cnccc2n([C@@H]2CCCN(C2)C(=O)C=C)c1=O
Fc1cccc(Oc2ccc(cc2)-n2c3cnccc3n([C@@H]3CCN(C3)C(=O)C=C)c2=O)c1Cl
Fc1cc(F)cc(Oc2ccc(cc2)-n2c3cnccc3n(-c3cccc(NC(=O)C=C)c3)c2=O)c1
COc1ccc(Oc2ccc(cc2)-n2c3cnccc3n(-c3cccc(NC(=O)C=C)c3)c2=O)cc1OC
Fc1cc(ccc1Oc1ccccc1)-n1c2cnccc2n(-c2cccc(NC(=O)C=C)c2)c1=O
COc1c(F)cccc1Oc1ccc(cc1)-n1c2cnccc2n([C@@H]2CCN(C2)C(=O)C=C)c1=O
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
Nc1ncnc2n(nc(-c3ccc(CNC(=O)c4ccccc4F)cc3)c12)C1CCCC1
Nc1ncnc2n(nc(-c3ccc(CNC(=O)c4cc(F)ccc4F)cc3)c12)C1CCCC1
COc1ccc(F)cc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCO2)c2ncnc(N)c12
Nc1ncnc2n(nc(-c3ccc(CNC(=O)c4ccccc4OC(F)(F)F)cc3)c12)C1CCCC1
CCOc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
CC(C)Oc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
COc1cc(Cl)ccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
COc1cc(C)ccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
COc1ccc(Cl)cc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
COc1ccc(C)cc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
COc1ccc(cc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12)C(F)(F)F
COc1c(F)cccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
COc1cc(F)ccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
COc1cccc(F)c1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
COc1ccccc1C(=O)N(C)Cc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
COc1ncccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC3(CC2)OCCO3)c2ncnc(N)c12
Nc1ncnc2n(nc(-c3ccc(CNC(=O)c4cccc(c4)C#N)cc3)c12)C1CCCC1
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC(=O)C2)c2ncnc(N)c12
COc1c(C)cccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC(O)CC2)c2ncnc(N)c12 |(3.02,11.02,;2.37,9.63,;3.46,8.54,;4.95,8.94,;6.04,7.85,;5.64,6.36,;4.15,5.96,;3.06,7.05,;1.57,6.65,;.49,7.74,;1.18,5.16,;-.31,4.77,;-.71,3.28,;.38,2.19,;-.02,.7,;-1.51,.3,;-2.6,1.39,;-2.2,2.88,;-1.91,-1.18,;-1,-2.43,;-1.91,-3.68,;-1.51,-5.16,;-2.6,-6.25,;-2.2,-7.74,;-.71,-8.14,;-.31,-9.63,;.38,-7.05,;-.02,-5.56,;-3.37,-3.2,;-4.7,-3.97,;-6.04,-3.2,;-6.04,-1.66,;-4.7,-.89,;-4.7,.65,;-3.37,-1.66,)|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2CC[C@H](O)C2)c2ncnc(N)c12 |r|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC3(C2)OCCO3)c2ncnc(N)c12
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC(=O)CC2)c2ncnc(N)c12
COc1ccncc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
CNC1CCC(CC1)n1nc(-c2ccc(CNC(=O)c3ccccc3OC)cc2)c2c(N)ncnc12 |(1.19,-9.88,;-.3,-9.48,;-.7,-7.99,;-2.2,-7.54,;-2.6,-6.05,;-1.51,-4.96,;-.02,-5.36,;.38,-6.85,;-1.91,-3.48,;-1,-2.23,;-1.91,-.99,;-1.51,.5,;-.02,.9,;.38,2.39,;-.71,3.48,;-.31,4.96,;1.18,5.36,;1.57,6.85,;.49,7.94,;3.06,7.25,;4.15,6.16,;5.64,6.56,;6.04,8.05,;4.95,9.14,;3.46,8.74,;2.37,9.83,;3.02,11.22,;-2.2,3.08,;-2.6,1.59,;-3.37,-1.46,;-4.7,-.69,;-4.7,.85,;-6.04,-1.46,;-6.04,-3,;-4.7,-3.77,;-3.37,-3,)|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCOCC2)c2ncnc(N)c12
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC(CC2)C(O)=O)c2ncnc(N)c12 |(3.02,11.57,;2.37,10.17,;3.46,9.08,;4.95,9.48,;6.04,8.39,;5.64,6.9,;4.15,6.51,;3.06,7.59,;1.57,7.2,;.49,8.29,;1.18,5.71,;-.31,5.31,;-.71,3.82,;.38,2.73,;-.02,1.25,;-1.51,.85,;-2.6,1.94,;-2.2,3.42,;-1.91,-.64,;-1,-1.89,;-1.91,-3.13,;-1.51,-4.62,;-2.6,-5.71,;-2.2,-7.2,;-.71,-7.59,;.38,-6.51,;-.02,-5.02,;-.31,-9.08,;1.18,-9.48,;-1.4,-10.17,;-3.37,-2.66,;-4.7,-3.43,;-6.04,-2.66,;-6.04,-1.12,;-4.7,-.35,;-4.7,1.19,;-3.37,-1.12,)|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC(=O)C2)c2ncnc(N)c12
CCOC(=O)C1CCC(CC1)n1nc(-c2ccc(CNC(=O)c3ccccc3OC)cc2)c2c(N)ncnc12 |(-.72,-13,;-1.75,-11.86,;-1.28,-10.39,;-2.31,-9.25,;-3.81,-9.57,;-1.83,-7.78,;-.32,-7.46,;.15,-6,;-.88,-4.85,;-2.38,-5.17,;-2.86,-6.64,;-.4,-3.39,;-1.31,-2.14,;-.4,-.9,;-.88,.57,;-2.38,.89,;-2.86,2.35,;-1.83,3.5,;-2.31,4.96,;-1.28,6.11,;-1.75,7.57,;-3.26,7.89,;-.72,8.71,;-1.2,10.18,;-.17,11.32,;1.34,11,;1.82,9.54,;.79,8.39,;1.26,6.93,;.05,5.98,;-.32,3.18,;.15,1.71,;1.06,-1.37,;2.4,-.6,;2.4,.94,;3.73,-1.37,;3.73,-2.91,;2.4,-3.68,;1.06,-2.91,)|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@H]2CC[C@@H](CC2)C(=O)N(C)C)c2ncnc(N)c12 |r,wU:24.29,wD:21.22,(.27,6.33,;1.48,7.28,;1.01,8.75,;2.04,9.89,;1.56,11.36,;.06,11.68,;-.97,10.53,;-.5,9.07,;-1.53,7.92,;-3.04,8.24,;-1.05,6.46,;-2.08,5.31,;-1.61,3.85,;-2.64,2.7,;-2.16,1.24,;-.66,.92,;.37,2.06,;-.1,3.53,;-.18,-.55,;-1.09,-1.79,;-.18,-3.04,;-.66,-4.5,;-2.16,-4.82,;-2.64,-6.29,;-1.61,-7.43,;-.1,-7.11,;.37,-5.65,;-2.08,-8.9,;-1.05,-10.04,;-3.59,-9.22,;-4.07,-10.68,;-4.62,-8.07,;1.28,-2.56,;2.62,-3.33,;3.95,-2.56,;3.95,-1.02,;2.62,-.25,;2.62,1.29,;1.28,-1.02,)|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2CC[C@@H](CC2)C(=O)N(C)C)c2ncnc(N)c12 |r,wU:21.22,24.29,(.27,6.33,;1.48,7.28,;1.01,8.75,;2.04,9.89,;1.56,11.36,;.06,11.68,;-.97,10.53,;-.5,9.07,;-1.53,7.92,;-3.04,8.24,;-1.05,6.46,;-2.08,5.31,;-1.61,3.85,;-2.64,2.7,;-2.16,1.24,;-.66,.92,;.37,2.06,;-.1,3.53,;-.18,-.55,;-1.09,-1.79,;-.18,-3.04,;-.66,-4.5,;-2.16,-4.82,;-2.64,-6.29,;-1.61,-7.43,;-.1,-7.11,;.37,-5.65,;-2.08,-8.9,;-1.05,-10.04,;-3.59,-9.22,;-4.07,-10.68,;-4.62,-8.07,;1.28,-2.56,;2.62,-3.33,;3.95,-2.56,;3.95,-1.02,;2.62,-.25,;2.62,1.29,;1.28,-1.02,)|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCOC2)c2ncnc(N)c12
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2C[C@@H](OC(C)=O)C=C2)c2ncnc(N)c12 |r,c:30|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2C[C@@H](O)C=C2)c2ncnc(N)c12 |r,c:27|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC(O)C2)c2ncnc(N)c12
COc1ccccc1C(=O)NCc1ccc(cc1)-n1nc(C2CCCC2)c2ncnc(N)c12
COC1CCC(CC1)n1nc(-c2ccc(CNC(=O)c3ccccc3OC)cc2)c2c(N)ncnc12 |(1.19,-9.88,;-.3,-9.48,;-.7,-7.99,;-2.2,-7.54,;-2.6,-6.05,;-1.51,-4.96,;-.02,-5.36,;.38,-6.85,;-1.91,-3.48,;-1,-2.23,;-1.91,-.99,;-1.51,.5,;-.02,.9,;.38,2.39,;-.71,3.48,;-.31,4.96,;1.18,5.36,;1.57,6.85,;.49,7.94,;3.06,7.25,;4.15,6.16,;5.64,6.56,;6.04,8.05,;4.95,9.14,;3.46,8.74,;2.37,9.83,;3.02,11.22,;-2.2,3.08,;-2.6,1.59,;-3.37,-1.46,;-4.7,-.69,;-4.7,.85,;-6.04,-1.46,;-6.04,-3,;-4.7,-3.77,;-3.37,-3,)|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CC=CC2)c2ncnc(N)c12 |c:25|
CCOC(=O)C1CCCC(C1)n1nc(-c2ccc(CNC(=O)c3ccccc3OC)cc2)c2c(N)ncnc12
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC(C2)C(=O)N(C)C)c2ncnc(N)c12
COc1ccc(F)cc1C(=O)NCc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@H]2C[C@@H](O)C=C2)c2ncnc(N)c12 |r,c:27|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2C[C@@H](O)C3CC23)c2ncnc(N)c12 |r|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC(CC2)OC(=O)c2ccc(C)cc2)c2ncnc(N)c12 |(3.02,11.97,;2.37,10.57,;3.46,9.48,;4.95,9.88,;6.04,8.79,;5.64,7.3,;4.15,6.9,;3.06,7.99,;1.57,7.59,;.49,8.68,;1.18,6.11,;-.31,5.71,;-.71,4.22,;.38,3.13,;-.02,1.64,;-1.51,1.25,;-2.6,2.33,;-2.2,3.82,;-1.91,-.24,;-1,-1.49,;-1.91,-2.73,;-1.51,-4.22,;-2.6,-5.31,;-2.2,-6.8,;-.71,-7.2,;.38,-6.11,;-.02,-4.62,;-.31,-8.68,;1.18,-9.08,;1.57,-10.57,;2.27,-7.99,;3.75,-8.39,;4.84,-7.3,;4.48,-5.78,;5.57,-4.69,;2.96,-5.42,;1.87,-6.51,;-3.37,-2.26,;-4.7,-3.03,;-6.04,-2.26,;-6.04,-.72,;-4.7,.05,;-4.7,1.59,;-3.37,-.72,)|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2C[C@H](O)C=C2)c2ncnc(N)c12 |r,c:27|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2C[C@H](OC(=O)C(C)(C)C)C=C2)c2ncnc(N)c12 |r,c:33|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC=C2)c2ncnc(N)c12 |c:27|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@H]2C[C@H](O)C=C2)c2ncnc(N)c12 |r,c:27|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CC3CC3C2)c2ncnc(N)c12
COc1ccc(F)cc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2C[C@@H](O)C=C2)c2ncnc(N)c12 |r,c:28|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2C[C@@H](F)C=C2)c2ncnc(N)c12 |r,c:27|
CCO[C@@H]1C[C@H](C=C1)n1nc(-c2ccc(CNC(=O)c3ccccc3OC)cc2)c2c(N)ncnc12 |r,c:6|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2CCc3ccccc23)c2ncnc(N)c12 |r|
COCCO[C@@H]1C[C@H](C=C1)n1nc(-c2ccc(CNC(=O)c3ccccc3OC)cc2)c2c(N)ncnc12 |r,c:8|
COCCNc1ncnc2n(nc(-c3ccc(CNC(=O)c4ccccc4OC)cc3)c12)[C@@H]1C[C@@H](O)C=C1 |r,c:40|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2C[C@@H](N)C=C2)c2ncnc(N)c12 |r,c:27|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2C[C@@H](NC(C)=O)C=C2)c2ncnc(N)c12 |r,c:30|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2C[C@H](C=C2)n2ccnn2)c2ncnc(N)c12 |r,c:26|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC(C)C2)c2ncnc(N)c12
COc1ccc(F)cc1C(=O)NCc1ccc(cc1F)-c1nn(C2CCCC2)c2ncnc(N)c12
COc1ccccc1C(=O)NC(C)c1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
COc1ccc(C)cc1C(=O)NCc1ccc(cc1F)-c1nn(C2CCCC2)c2ncnc(N)c12
COc1ccccc1C(=O)NCc1ccc(cc1F)-c1nn(C2CCCC2)c2ncnc(N)c12
COc1ccccc1C(=O)NC1(CC1)c1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
COc1cccc2ccnc(C(=O)NCc3ccc(cc3)-c3nn(C4CCCC4)c4ncnc(N)c34)c12
Nc1ncnc2n(nc(-c3ccc(CNC(=O)c4nccc5ccccc45)cc3)c12)C1CCCC1
Nc1ncnc2n(nc(-c3ccc(CNC(=O)c4cccc5cccnc45)cc3)c12)C1CCCC1
COc1cc2ccccc2cc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
Nc1ncnc2n(nc(-c3ccc(CNC(=O)c4ccc5ccccc5c4)cc3)c12)C1CCCC1
COc1ccccc1C(=O)NCc1c(F)cc(cc1F)-c1nn(C2CCCC2)c2ncnc(N)c12
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(CC(C)O)c2ncnc(N)c12
COc1cc(ccc1CNC(=O)c1ccccc1OC)-c1nn(C2CCCC2)c2ncnc(N)c12
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C(C)C)c2ncnc(N)c12
COc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c3ncnc(N)c23)c(OC)c1
COc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c3ncnc(N)c23)c(C)c1
CC(C)c1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
CC(C)(C)n1nc(-c2ccc(CNC(=O)c3cc4ccccc4o3)cc2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(CNC(=O)c4nc5ccccc5s4)cc3)c12)C1CCCC1
Nc1ncnc2n(nc(-c3ccc(CNC(=O)c4cc5ccccc5o4)cc3)c12)C1CCCC1
Nc1ncnc2n(nc(-c3ccc(CNC(=O)c4cc5ccccc5s4)cc3)c12)C1CCCC1
Nc1ncnc2n(nc(-c3ccc(CNC(=O)c4ccc5ccccc5n4)cc3)c12)C1CCCC1
Nc1ncnc2n(nc(-c3ccc(CNC(=O)C4CNc5ccccc5O4)cc3)c12)C1CCCC1
Nc1ncnc2n(nc(-c3ccc(CNC(=O)c4cccc5ncoc45)cc3)c12)C1CCCC1
Nc1ncnc2n(nc(-c3ccc(CNC(=O)c4cc5ccccc5[nH]4)cc3)c12)C1CCCC1
COc1ccccc1C(=O)NCc1ccc(cc1C)-c1nn(C2CCCC2)c2ncnc(N)c12
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(CC(F)(F)F)c2ncnc(N)c12
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC(C)(O)CC2)c2ncnc(N)c12 |w:20.22|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC(C)(O)CC2)c2ncnc(N)c12 |w:20.22|
COc1ccc(F)cc1C(=O)NCc1ccc(cc1)-c1nn(CC(F)(F)F)c2ncnc(N)c12
COc1ccc(F)cc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC(C)(O)CC2)c2ncnc(N)c12 |w:21.23|
COc1ccc(F)cc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC(C)(O)CC2)c2ncnc(N)c12 |w:21.23|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:21.22,wD:24.26,(3.02,11.02,;2.37,9.63,;3.46,8.54,;4.95,8.94,;6.04,7.85,;5.64,6.36,;4.15,5.96,;3.06,7.05,;1.57,6.65,;.49,7.74,;1.18,5.16,;-.31,4.77,;-.71,3.28,;.38,2.19,;-.02,.7,;-1.51,.3,;-2.6,1.39,;-2.2,2.88,;-1.91,-1.18,;-1,-2.43,;-1.91,-3.68,;-1.51,-5.16,;-.02,-5.56,;.38,-7.05,;-.71,-8.14,;-.31,-9.63,;-2.2,-7.74,;-2.6,-6.25,;-3.37,-3.2,;-4.7,-3.97,;-6.04,-3.2,;-6.04,-1.66,;-4.7,-.89,;-4.7,.65,;-3.37,-1.66,)|
CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)NCCN3CCN(C\C=C\C(=O)Nc4cccc(Oc5ncnc(N)c5-c5ccc(Oc6ccccc6)cc5)c4)CC3)n1[B-]2(F)F |c:4,t:1,7|
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Nc2ccccc2)cc1
CN(C)C\C=C\C(=O)Nc1cccc(Oc2ccnc(N)c2-c2ccc(Oc3ccccc3)cc2)c1
CN(C)C\C=C\C(=O)Nc1cccc(Oc2ccnc(N)c2-c2ccc(OCc3ccccc3)cc2)c1
Nc1nccc(Oc2cc(NC(=O)C=C)ccc2F)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(Nc2cccc(NC(=O)C=C)c2)c1-c1cnn(Cc2cc(F)cc(F)c2)c1
Nc1ncnc(NC2CN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1-c1cccc(NC(=O)\C=C\CN2CCOCC2)c1
Cc1c(cccc1-n1c(=O)[nH]c2c(Cl)cccc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.91,,;1.58,-.77,;.24,,;-1.09,-.77,;-1.09,-2.31,;.24,-3.08,;1.58,-2.31,;2.91,-3.08,;2.91,-4.62,;1.58,-5.39,;4.25,-5.39,;5.58,-4.62,;6.91,-5.39,;6.91,-6.93,;8.25,-4.62,;8.25,-3.08,;6.91,-2.31,;5.58,-3.08,;4.25,-2.31,;4.25,-.77,;.24,1.54,;1.58,2.31,;2.91,1.54,;1.58,3.85,;.24,4.62,;.24,6.16,;1.58,6.93,;-1.09,6.93,;-1.09,3.85,;-2.55,4.33,;-3.46,3.08,;-4.99,2.92,;-5.62,1.51,;-4.71,.27,;-3.18,.43,;-2.55,1.83,;-1.09,2.31,;-7.16,1.51,;-8.25,.42,;-6.76,.02,;-7.93,2.85,)|
CC1Nc2ccccc2C(=O)N1c1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
CCc1c(C#N)c(cn1[C@@H]1CCCN(C1)C(=O)OC(C)(C)C)-c1ccc(Oc2ccccc2)cc1 |r|
Nc1n[nH]c(=O)c2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C=C
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C |wU:24.27,27.34,(-3.94,-2.92,;-3.94,-1.38,;-5.28,-.61,;-5.28,.93,;-3.94,1.7,;-3.94,3.24,;-2.61,.93,;-1.15,1.41,;-.24,.16,;-1.15,-1.09,;-.67,-2.55,;.84,-2.87,;1.31,-4.34,;.28,-5.48,;.76,-6.94,;2.26,-7.26,;3.3,-6.12,;4.8,-6.44,;5.28,-7.9,;4.25,-9.05,;2.74,-8.73,;-1.22,-5.16,;-1.7,-3.69,;-2.61,-.61,;-.67,2.87,;.84,3.19,;1.31,4.66,;.28,5.8,;-1.22,5.48,;-1.7,4.02,;.76,7.26,;2.26,7.58,;2.74,9.05,;3.3,6.44,;4.8,6.76,)|
CCc1c(C#N)c(cn1C1CN(CCC1F)C(=O)OCc1ccccc1)-c1ccc(Oc2ccccc2)cc1
CCc1c(C#N)c(cn1[C@H]1CN(CC(F)(F)C1)C(=O)OC(C)(C)C)-c1ccc(Oc2ccccc2)cc1 |r|
CN(C)C\C=C\C(=O)NC1C2CCC1CC(C2)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12 |(-11.09,-6.05,;-9.76,-5.28,;-9.76,-3.74,;-8.42,-6.05,;-7.09,-5.28,;-5.76,-6.05,;-4.42,-5.28,;-4.42,-3.74,;-3.09,-6.05,;-1.75,-5.28,;-.02,-6.28,;-1.55,-6.05,;-2.32,-4.72,;-1.76,-3.28,;-.28,-2.83,;.99,-3.7,;1.1,-5.23,;2.32,-2.93,;2.48,-1.4,;3.99,-1.08,;4.62,.33,;3.71,1.58,;4.34,2.98,;5.87,3.15,;6.5,4.55,;8.03,4.71,;8.65,6.12,;10.18,6.28,;11.09,5.03,;10.46,3.63,;8.93,3.47,;6.77,1.9,;6.15,.49,;4.76,-2.41,;6.27,-2.73,;7.3,-1.58,;6.74,-4.19,;5.71,-5.34,;4.21,-5.02,;3.17,-6.16,;3.73,-3.55,)|
CC(C)(C)OC(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3c(F)cccc3F)cc2)c2c(N)n[nH]c(=O)c12 |r|
CC(C)(C)OC(=O)N1CCC[C@H](C1)n1c(Cl)c(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12 |r|
CCc1c(C#N)c(cn1-c1cccc(NC(=O)OC(C)(C)C)c1)-c1ccc(Oc2ccccc2)cc1
COc1ccc(cc1Cl)-c1cn([C@@H]2CCCN(C2)NC(=O)C=C)c2c1c(N)n[nH]c2=O |r|
CCOC(=O)c1c(C#N)c(cn1[C@@H]1CCN(C1)C(=O)OC(C)(C)C)-c1ccc(Oc2c(F)cccc2F)cc1 |r|
CC#CC(=O)N[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12 |r,wU:9.12,wD:6.5,(5.41,-5.4,;4.32,-6.49,;3.23,-7.58,;2.14,-8.67,;2.54,-10.16,;.32,-7.9,;-.08,-6.41,;1.01,-5.32,;.61,-3.84,;-.88,-3.44,;-1.97,-4.53,;-1.57,-6.01,;-1.27,-1.95,;-.37,-.7,;-1.27,.54,;-.88,2.03,;.61,2.43,;1.01,3.92,;-.08,5,;.32,6.49,;-.77,7.58,;-2.26,7.18,;-3.35,8.27,;-2.95,9.76,;-1.46,10.16,;-.37,9.07,;1.12,9.47,;-1.57,4.61,;-1.97,3.12,;-2.74,.07,;-4.07,.84,;-4.07,2.38,;-5.41,.07,;-5.41,-1.47,;-4.07,-2.24,;-4.07,-3.78,;-2.74,-1.47,)|
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4F)cc3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:25.28,28.35,(-3.73,2.38,;-3.73,.84,;-5.06,.07,;-5.06,-1.47,;-3.73,-2.24,;-3.73,-3.78,;-2.39,-1.47,;-.93,-1.95,;-.02,-.7,;-.93,.54,;-.53,2.03,;.96,2.43,;1.36,3.92,;.27,5,;.66,6.49,;-.42,7.58,;-1.91,7.18,;-3,8.27,;-2.6,9.76,;-1.11,10.16,;-.03,9.07,;1.46,9.47,;-1.22,4.61,;-1.62,3.12,;-2.39,.07,;-.53,-3.44,;-1.62,-4.53,;-1.22,-6.01,;.27,-6.41,;1.36,-5.32,;.96,-3.84,;.66,-7.9,;2.49,-8.67,;2.88,-10.16,;3.57,-7.58,;5.06,-7.98,)|
Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4F)cc3)c12)[C@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:25.28,wD:28.35,(-3.73,2.38,;-3.73,.84,;-5.06,.07,;-5.06,-1.47,;-3.73,-2.24,;-3.73,-3.78,;-2.39,-1.47,;-.93,-1.95,;-.02,-.7,;-.93,.54,;-.53,2.03,;.96,2.43,;1.36,3.92,;.27,5,;.66,6.49,;-.42,7.58,;-1.91,7.18,;-3,8.27,;-2.6,9.76,;-1.11,10.16,;-.03,9.07,;1.46,9.47,;-1.22,4.61,;-1.62,3.12,;-2.39,.07,;-.53,-3.44,;.96,-3.84,;1.36,-5.32,;.27,-6.41,;-1.22,-6.01,;-1.62,-4.53,;.66,-7.9,;2.49,-8.67,;2.88,-10.16,;3.57,-7.58,;5.06,-7.98,)|
CC(C)(C)OC(=O)N1CCC[C@H](C1)C1N=C(c2c1c(=O)[nH]nc2N)c1ccc(Oc2ccccc2F)cc1 |r,c:15|
CC#CC(=O)N1CCC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
CC#CC(=O)N1CCC(C1)n1nc(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12
CC#CC(=O)N1CCC(C1)n1nc(-c2ccc(Oc3c(F)cccc3F)cc2)c2c(N)n[nH]c(=O)c12
Nc1c(cc(-c2cccc(NC(=O)C=C)c2)c2ncncc12)-c1ccc(Oc2cc(ccn2)C(F)(F)F)cc1F
Nc1c(cc(-c2cccc(NC(=O)C=C)c2)c2ncncc12)-c1ccc(Oc2cc(ccn2)C(F)(F)F)cc1
Nc1c(cc(C2CCN(C2)C(=O)C=C)c2ncncc12)-c1ccc(Oc2ccccc2)cc1
Nc1c(cc(C2CCN(C2)C(=O)C=C)c2ncncc12)-c1ccc(Oc2cc(ccn2)C(F)(F)F)cc1
Nc1c(cc(C2CCN(C2)C(=O)C=C)c2ncncc12)-c1ccc(Oc2cc(ccn2)C(F)(F)F)cc1F
Nc1ncc2cc(cc(-c3cccc(NC(=O)C=C)c3)c2n1)-c1ccccc1Cl
C=CC(=O)Nc1cccc(c1)-c1cc(cc2cncnc12)-c1ccccc1
Nc1ncc2cc(cc(-c3cccc(NC(=O)C=C)c3)c2n1)-c1ccccc1
C=CC(=O)Nc1cccc(c1)-c1cc(cc2cncnc12)-c1ccncc1
C=CC(=O)Nc1cccc(c1)-c1cc(cc2cncnc12)-c1cccnc1
C=CC(=O)Nc1cccc(c1)-c1cc(cc2cncnc12)-c1ccc(cc1)C(=O)Nc1ccccn1
Clc1ccccc1-c1cc(-c2cccc(NC(=O)C=C)c2)c2ncncc2c1
C=CC(=O)Nc1cccc(c1)-c1cc(cc2cncnc12)-c1ccc(Oc2ccccc2)cc1
Nc1ncc2cc(cc(C3CCCN(C3)C(=O)C=C)c2n1)-c1ccc(Oc2ccccc2)cc1
Nc1ncc2cc(cc(-c3cccc(NC(=O)C=C)c3)c2n1)-c1cccnc1
Cc1ccc(cn1)-c1cc(-c2cccc(NC(=O)C=C)c2)c2nc(N)ncc2c1
C=CC(=O)N1CCC(C1)c1cc(cc2cncnc12)-c1ccc(Oc2ccccc2)cc1
FC(F)(F)c1cccc(NC(=O)c2ccc(cc2)-c2cc(-c3cccc(NC(=O)C=C)c3)c3ncncc3c2)c1
Clc1cc(ccc1-c1cc(-c2cccc(NC(=O)C=C)c2)c2ncncc2c1)C(=O)Nc1ccccn1
C=CC(=O)Nc1cccc(c1)-c1cc(cc2cncnc12)-c1ccc(cc1)C(=O)Nc1ccccc1
C=CC(=O)Nc1cccc(c1)-c1cc(cc2cncnc12)-c1ccc(Oc2ccccc2)nc1
Clc1ccnc(NC(=O)c2ccc(cc2)-c2cc(C3CCN(C3)C(=O)C=C)c3ccncn23)c1
Fc1ccnc(NC(=O)c2ccc(cc2)-c2cc(C3CCN(C3)C(=O)C=C)c3ccncn23)c1
Clc1cc(ccc1-c1cc(C2CCN(C2)C(=O)C=C)c2ncncc2c1)C(=O)Nc1ccccn1
Fc1cccc(c1)-c1cc(-c2cccc(NC(=O)C=C)c2)c2ncncc2c1
C=CC(=O)Nc1cccc(c1)-c1cc(cc2cnc(Nc3ccccc3)nc12)-c1ccccc1
C=CC(=O)Nc1cccc(c1)-c1cc(cc2cncnc12)-c1ccccc1C#N
C=CC(=O)Nc1cccc(c1)-c1cc(cc2cnc(Nc3ccccc3)nc12)-c1cccnc1
Nc1ncc2cc(cc(C3CCN(C3)C(=O)C=C)c2n1)-c1ccc(Oc2ccccc2)cc1
Fc1cccc(Oc2ccc(cn2)-c2cc(-c3cccc(NC(=O)C=C)c3)c3ncncc3c2)c1
Nc1ncc2cc(cc(-c3cccc(NC(=O)C=C)c3)c2n1)-c1ccccc1C#N
C=CC(=O)Nc1cccc(c1)-c1cc(cc2cncnc12)-c1ccc(Oc2ccccn2)cc1
C=CC(=O)Nc1cccc(c1)-c1cc(cc2cncnc12)-c1ccc(cc1)C(=O)N1CCCC1
Nc1ncc2cc(cc(-c3cccc(NC(=O)C=C)c3)c2n1)-c1cncc(Cl)c1
Fc1cccnc1Oc1ccc(c(F)c1)-c1cc(-c2cccc(NC(=O)C=C)c2)c2ncncc2c1
Fc1cc(Oc2ncccc2Cl)ccc1-c1cc(-c2cccc(NC(=O)C=C)c2)c2ncncc2c1
Nc1ncc2cc(cc(-c3cccc(NC(=O)C=C)c3)c2n1)-c1cncc(F)c1
Fc1cc(Oc2ccccn2)ccc1-c1cc(-c2cccc(NC(=O)C=C)c2)c2ncncc2c1
FC(F)(F)c1ccnc(NC(=O)c2ccc(c(Cl)c2)-c2cc(-c3cccc(NC(=O)C=C)c3)c3ncncc3c2)c1
C=CC(=O)Nc1cccc(c1)-c1cc(cc2cncnc12)-c1ccc(Oc2cccnc2)cc1
Clc1cc(ccc1-c1cc(-c2cccc(NC(=O)C=C)c2)c2ncncc2c1)C(=O)Nc1cc(ccn1)C1CC1
COc1cc(Oc2ccccn2)ccc1-c1cc(-c2cccc(NC(=O)C=C)c2)c2ncncc2c1
Clc1cc(ccc1-c1cc(-c2cccc(NC(=O)C=C)c2)c2ncncc2c1)C(=O)Nc1cc(ccn1)C#N
Fc1cc(ccc1-c1cc(-c2cccc(NC(=O)C=C)c2)c2ncncc2c1)C(=O)Nc1cc(ccn1)C(F)(F)F
C=CC(=O)Nc1cccc(c1)-c1cc(cc2cncnc12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C1CC1
Fc1cc(ccc1C(=O)Nc1ccccn1)-c1cc(-c2cccc(NC(=O)C=C)c2)c2ncncc2c1
Fc1cc(ccc1Oc1ccccn1)-c1cc(-c2cccc(NC(=O)C=C)c2)c2ncncc2c1
FC(F)(F)c1ccnc(NC(=O)c2ccc(cc2)-c2cc(-c3cccc(NC(=O)C=C)c3)c3ncncc3c2)c1
Fc1cc(ccc1C(=O)Nc1cc(ccn1)C1CC1)-c1cc(-c2cccc(NC(=O)C=C)c2)c2ncncc2c1
Fc1cc(ccc1-c1cc(-c2cccc(NC(=O)C=C)c2)c2ncncc2c1)C(=O)Nc1cc(ccn1)C1CC1
Nc1ncc2cc(cc(-c3cccc(NC(=O)C=C)c3)c2n1)-c1ccc(Oc2ccccn2)cc1F
Nc1ncc2cc(cc(-c3cccc(NC(=O)C=C)c3)c2n1)-c1ccc(Oc2ccccn2)c(F)c1
C=CC(=O)N1CCC(C1)c1cc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C#N)n2cnccc12
Clc1cc(ccc1C(=O)Nc1ccccn1)-c1cc(-c2cccc(NC(=O)C=C)c2)c2ncncc2c1
COc1cc(Oc2ccccn2)ccc1-c1cc(-c2cccc(NC(=O)C=C)c2)c2nc(N)ncc2c1
Nc1c(cc(-c2cccc(NC(=O)C=C)c2)c2ncncc12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C1CC1
FC(F)(F)c1ccnc(Oc2ccc(cc2)-c2cc(-c3cccc(NC(=O)C=C)c3)c3ncncc3c2)c1
C=CC(=O)Nc1cccc(c1)-c1cc(cc2cncnc12)-c1ccc(Oc2cc(ccn2)C2CC2)cc1
C=CC(=O)Nc1cccc(c1)-c1cc(cc2cncnc12)-c1ccc(Oc2cc(ccn2)C#N)cc1
Nc1nccc2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)n12)C1CCN(C1)C(=O)C=C
Nc1nccc2c(nc(-c3ccc(Oc4ccccn4)cc3)n12)C1CCN(C1)C(=O)C=C
Fc1cc(Oc2cc(ccn2)C#N)ccc1-c1cc(-c2cccc(NC(=O)C=C)c2)c2ncncc2c1
Nc1c(cc(-c2cccc(NC(=O)C=C)c2)c2ncncc12)-c1ccc(cc1Cl)C(=O)Nc1ccccn1
NC(=O)c1ccnc(Oc2ccc(cc2)-c2cc(-c3cccc(NC(=O)C=C)c3)c3ncncc3c2)c1
NC(=O)c1ccnc(Oc2ccc(c(F)c2)-c2cc(-c3cccc(NC(=O)C=C)c3)c3ncncc3c2)c1
Nc1nccc2c(nc(-c3ccc(Oc4cc(ccn4)C(F)(F)F)cc3)n12)C1CCN(C1)C(=O)C=C
Nc1ncnc2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)n12)C1CCN(C1)C(=O)C=C
Fc1cc(Oc2cc(ccn2)C2CC2)ccc1-c1cc(-c2cccc(NC(=O)C=C)c2)c2ncncc2c1
Nc1ncnc2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)n12)C1CCN(C1)C(=O)C=C
C=CC(=O)Nc1cccc(c1)-c1cc(cc2cncnc12)-c1ccc(cc1C#N)C(=O)Nc1ccccn1
CC#CC(=O)N1CCC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)n2c(N)nccc12
Nc1nccc2c(nc(-c3ccc(Oc4cc(ccn4)C(F)(F)F)c(F)c3)n12)C1CCN(C1)C(=O)C=C
Nc1nccc2c(nc(-c3ccc(Oc4ccccn4)c(F)c3)n12)C1CCN(C1)C(=O)C=C
COc1ccnc(Oc2ccc(cc2)-c2nc(C3CCN(C3)C(=O)C=C)c3ccnc(N)n23)c1
COc1cc(ccc1Oc1ccccn1)-c1nc(C2CCN(C2)C(=O)C=C)c2ccnc(N)n12
COc1ccnc(Oc2ccc(cc2F)-c2nc(C3CCN(C3)C(=O)C=C)c3ccnc(N)n23)c1
Nc1nccc2c(nc(-c3ccc(Oc4ncccc4C(F)(F)F)cc3)n12)C1CCN(C1)C(=O)C=C
CC#CC(=O)N1CCC(C1)c1nc(-c2ccc(Oc3ncccc3F)cc2)n2c(N)nccc12
CC#CC(=O)N1CCC(C1)c1nc(-c2ccc(Oc3ncccc3C#N)cc2)n2c(N)nccc12
Nc1nccc2c(nc(-c3ccc(C(=O)Nc4ccccn4)c(F)c3)n12)C1CCN(C1)C(=O)C=C
CC#CC(=O)N1CCC(C1)c1nc(-c2ccc(C(=O)Nc3ccccn3)c(F)c2)n2c(N)nccc12
COc1cc(ccc1Oc1ncccc1F)-c1nc(C2CCCN(C2)C(=O)C=C)c2ccnc(N)n12
COc1cc(ccc1Oc1ncccc1F)-c1nc(C2CCN(C2)C(=O)C=C)c2ccnc(N)n12
Nc1nccc2c(nc(-c3ccc(Oc4ncccc4C#N)c(F)c3)n12)C1CCCN(C1)C(=O)C=C
Nc1nccc2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)n12)C1CCCN(C1)C(=O)C=C
CC#CC(=O)N1CCCC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)n2c(N)nccc12
CC#CC(=O)N1CCC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)n2c(N)ncnc12
Nc1nccc2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)n12)C1CCN(C1)C(=O)C=C
CC#CC(=O)N1CCC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)n2c(N)nccc12
COc1ccnc(NC(=O)c2ccc(cc2)-c2nc(C3CCN(C3)C(=O)C=C)c3ccnc(N)n23)c1
COc1ccnc(NC(=O)c2ccc(cc2)-c2nc(C3CCN(C3)C(=O)C#CC)c3ccnc(N)n23)c1
Nc1nccc2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)n12)C1CCN(C1)C(=O)C=C
Nc1nccc2c(nc(-c3ccc(Oc4ccccn4)cc3)n12)C1CCCN(C1)C(=O)C=C
CC#CC(=O)N1CCCC(C1)c1nc(-c2ccc(Oc3ccccn3)cc2)n2c(N)nccc12
CC#CC(=O)N1CCC(C1)c1nc(-c2ccc(C(=O)Nc3cc(ccn3)C3CC3)c(F)c2)n2c(N)nccc12
Nc1nccc2c(nc(-c3ccc(C(=O)Nc4cc(ccn4)C4CC4)c(F)c3)n12)C1CCN(C1)C(=O)C=C
O=CNc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
N#C/N=C(Nc4cccc(C3CCCN(c1ncnc2[nH]ccc12)C3)c4)\NC5CCCCC5
N#C/N=C(NCC1CCCCC1)/Nc5cccc(C4CCCN(c2ncnc3[nH]ccc23)C4)c5
CN/C(=N\C#N)Nc4cccc(C3CCCN(c1ncnc2[nH]ccc12)C3)c4
CC(C)(C)N/C(=N\C#N)Nc4cccc(C3CCCN(c1ncnc2[nH]ccc12)C3)c4
C1CC(CN(C1)c1ncnc2[nH]ccc12)c1ccc2nc(Nc3ccccc3)[nH]c2c1
CS(=O)(=O)C1CCN(CC1c1cccc(NC(=O)Nc2ccccc2)c1)c1ncnc2[nH]ccc12
Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C#N |(-4.87,6.9,;-4.87,5.36,;-3.62,4.45,;-4.1,2.99,;-5.64,2.99,;-6.12,4.45,;-7.45,5.22,;-7.45,6.76,;-8.78,4.45,;-3.33,1.66,;-4.1,.32,;-3.33,-1.01,;-1.79,-1.01,;-1.02,.32,;-1.79,1.66,;-1.02,2.99,;-1.79,4.32,;.52,.32,;1.29,-1.01,;2.83,-1.01,;3.6,.32,;5.14,.32,;5.91,1.66,;5.14,2.99,;3.6,2.99,;2.83,1.66,;1.29,1.66,;.52,2.99,;7.45,1.66,;8.78,.89,;8.78,2.43,;.52,-2.35,;-.97,-2.74,;-.57,-4.23,;.92,-3.83,;-1.34,-5.57,;-2.11,-6.9,)|
Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1c(CC2CN(C2)C(=O)C=C)cc2cc(ccc2c1=O)C1CC1 |(-6.17,4,;-5.4,2.66,;-3.94,2.19,;-3.94,.65,;-5.4,.17,;-6.31,1.42,;-7.85,1.42,;-8.62,2.75,;-8.62,.08,;-2.6,-.12,;-2.6,-1.66,;-1.27,-2.43,;.06,-1.66,;.06,-.12,;-1.27,.65,;-1.27,2.19,;-2.6,2.96,;1.4,.65,;2.73,-.12,;2.73,-1.66,;4.06,-2.43,;4.46,-3.92,;5.95,-3.52,;5.55,-2.03,;7.28,-4.29,;8.62,-3.52,;7.28,-5.83,;8.62,-6.6,;4.06,.65,;4.06,2.19,;5.4,2.96,;5.4,4.5,;4.06,5.27,;2.73,4.5,;2.73,2.96,;1.4,2.19,;.06,2.96,;6.73,5.27,;8.27,5.27,;7.5,6.6,)|
OCc1c(cccc1-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C#N)-c1ccc2[nH]ncc2c1 |(-2.23,4.29,;-1.46,2.96,;-2.23,1.62,;-3.77,1.62,;-4.54,.29,;-3.77,-1.05,;-2.23,-1.05,;-1.46,.29,;.08,.29,;.85,-1.05,;2.39,-1.05,;3.16,.29,;4.7,.29,;5.47,1.62,;4.7,2.96,;3.16,2.96,;2.39,1.62,;.85,1.62,;.08,2.96,;7.01,1.62,;8.35,.85,;8.35,2.39,;.08,-2.38,;-1.4,-2.78,;-1,-4.27,;.48,-3.87,;-1.77,-5.6,;-2.54,-6.93,;-4.54,2.96,;-5.87,2.19,;-7.2,2.96,;-7.2,4.5,;-8.35,5.53,;-7.72,6.93,;-6.19,6.77,;-5.87,5.27,;-4.54,4.5,)|
NC(=O)c1cccc(c1)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C#N |(-5.11,7.25,;-6.44,6.48,;-7.78,7.25,;-6.44,4.94,;-7.78,4.17,;-7.78,2.63,;-6.44,1.86,;-5.11,2.63,;-5.11,4.17,;-4.34,1.3,;-5.11,-.03,;-4.34,-1.37,;-2.8,-1.37,;-2.03,-.03,;-2.8,1.3,;-2.03,2.63,;-2.8,3.97,;-.49,-.03,;.28,-1.37,;1.82,-1.37,;2.59,-.03,;4.13,-.03,;4.9,1.3,;4.13,2.63,;2.59,2.63,;1.82,1.3,;.28,1.3,;-.49,2.63,;6.44,1.3,;7.78,.53,;7.78,2.07,;-.49,-2.7,;-1.98,-3.1,;-1.58,-4.59,;-.09,-4.19,;-2.35,-5.92,;-3.12,-7.25,)|
NC(=O)c1cccc(c1)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C(=O)C=C |(-5.11,7.92,;-6.44,7.15,;-7.78,7.92,;-6.44,5.61,;-7.78,4.84,;-7.78,3.3,;-6.44,2.53,;-5.11,3.3,;-5.11,4.84,;-4.34,1.97,;-5.11,.63,;-4.34,-.7,;-2.8,-.7,;-2.03,.63,;-2.8,1.97,;-2.03,3.3,;-2.8,4.63,;-.49,.63,;.28,-.7,;1.82,-.7,;2.59,.63,;4.13,.63,;4.9,1.97,;4.13,3.3,;2.59,3.3,;1.82,1.97,;.28,1.97,;-.49,3.3,;6.44,1.97,;7.78,1.2,;7.78,2.74,;-.49,-2.03,;-1.98,-2.43,;-1.58,-3.92,;-.09,-3.52,;-2.35,-5.25,;-3.89,-5.25,;-1.58,-6.59,;-2.35,-7.92,)|
Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1c(CC2CCN2C(=O)C=C)cc2cc(ccc2c1=O)C1CC1 |(-4.87,7.85,;-4.87,6.31,;-3.62,5.41,;-4.1,3.94,;-5.64,3.94,;-6.12,5.41,;-7.45,6.18,;-8.78,5.41,;-7.45,7.72,;-3.33,2.61,;-4.1,1.28,;-3.33,-.06,;-1.79,-.06,;-1.02,1.28,;-1.79,2.61,;-1.02,3.94,;-1.79,5.28,;.52,1.28,;1.29,-.06,;1.29,-1.6,;2.62,-2.37,;4.11,-1.97,;4.51,-3.46,;3.02,-3.85,;2.25,-5.19,;.71,-5.19,;3.02,-6.52,;2.25,-7.85,;2.83,-.06,;3.6,1.28,;5.14,1.28,;5.91,2.61,;5.14,3.94,;3.6,3.94,;2.83,2.61,;1.29,2.61,;.52,3.94,;7.45,2.61,;8.78,1.84,;8.78,3.38,)|
Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C(=O)C=C |(-4.87,7.57,;-4.87,6.03,;-3.62,5.12,;-4.1,3.66,;-5.64,3.66,;-6.12,5.12,;-7.45,5.89,;-7.45,7.43,;-8.78,5.12,;-3.33,2.32,;-4.1,.99,;-3.33,-.34,;-1.79,-.34,;-1.02,.99,;-1.79,2.32,;-1.02,3.66,;-1.79,4.99,;.52,.99,;1.29,-.34,;2.83,-.34,;3.6,.99,;5.14,.99,;5.91,2.32,;5.14,3.66,;3.6,3.66,;2.83,2.32,;1.29,2.32,;.52,3.66,;7.45,2.32,;8.78,1.55,;8.78,3.09,;.52,-1.68,;-.97,-2.08,;-.57,-3.56,;.92,-3.17,;-1.34,-4.9,;-2.88,-4.9,;-.57,-6.23,;-1.34,-7.57,)|
CC#CC(=O)N1CC(Cc2cc3cc(ccc3c(=O)n2-c2cccc(-c3cc(C(N)=O)n(C)c3)c2CO)C2CC2)C1 |(7.28,-7.76,;7.28,-6.22,;7.28,-4.68,;7.28,-3.14,;8.62,-2.37,;5.95,-2.37,;4.46,-2.76,;4.06,-1.28,;2.73,-.51,;2.73,1.03,;4.06,1.8,;4.06,3.34,;5.4,4.11,;5.4,5.65,;4.06,6.42,;2.73,5.65,;2.73,4.11,;1.4,3.34,;.06,4.11,;1.4,1.8,;.06,1.03,;.06,-.51,;-1.27,-1.28,;-2.6,-.51,;-2.6,1.03,;-3.94,1.8,;-5.4,1.33,;-6.31,2.57,;-7.85,2.57,;-8.62,3.91,;-8.62,1.24,;-5.4,3.82,;-6.17,5.15,;-3.94,3.34,;-1.27,1.8,;-1.27,3.34,;-2.6,4.11,;6.73,6.42,;8.27,6.42,;7.5,7.76,;5.55,-.88,)|
Cn1cc(cc(N)c1=O)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C#N |(-3.75,6.94,;-4.52,5.61,;-3.75,4.28,;-4.52,2.94,;-6.06,2.94,;-6.83,4.28,;-8.37,4.28,;-6.06,5.61,;-6.83,6.94,;-3.75,1.61,;-4.52,.28,;-3.75,-1.06,;-2.21,-1.06,;-1.44,.28,;-2.21,1.61,;-1.44,2.94,;-2.21,4.28,;.1,.28,;.87,-1.06,;2.41,-1.06,;3.18,.28,;4.72,.28,;5.49,1.61,;4.72,2.94,;3.18,2.94,;2.41,1.61,;.87,1.61,;.1,2.94,;7.03,1.61,;8.37,.84,;8.37,2.38,;.1,-2.39,;-1.38,-2.79,;-.99,-4.28,;.5,-3.88,;-1.76,-5.61,;-2.53,-6.94,)|
Cc1ccc2c(c1)cc(C1CN(C1)C(=O)C=C)n(-c1cccc(-c3ccc4[nH]ncc4c3)c1CO)c2=O |(7.68,2.29,;6.14,2.29,;5.37,3.62,;3.83,3.62,;3.06,2.29,;3.83,.95,;5.37,.95,;3.06,-.38,;1.52,-.38,;.75,-1.71,;-.74,-2.11,;-.34,-3.6,;1.15,-3.2,;-1.11,-4.93,;-2.65,-4.93,;-.34,-6.27,;-1.11,-7.6,;.75,.95,;-.79,.95,;-1.56,-.38,;-3.1,-.38,;-3.87,.95,;-3.1,2.29,;-3.87,3.62,;-5.2,2.85,;-6.54,3.62,;-6.54,5.16,;-7.68,6.19,;-7.05,7.6,;-5.52,7.44,;-5.2,5.93,;-3.87,5.16,;-1.56,2.29,;-.79,3.62,;-1.56,4.96,;1.52,2.29,;.75,3.62,)|
Cn1cc(cc(N)c1=O)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C(=O)C=C |(-3.75,7.61,;-4.52,6.28,;-3.75,4.94,;-4.52,3.61,;-6.06,3.61,;-6.83,4.94,;-8.37,4.94,;-6.06,6.28,;-6.83,7.61,;-3.75,2.28,;-4.52,.94,;-3.75,-.39,;-2.21,-.39,;-1.44,.94,;-2.21,2.28,;-1.44,3.61,;-2.21,4.94,;.1,.94,;.87,-.39,;2.41,-.39,;3.18,.94,;4.72,.94,;5.49,2.28,;4.72,3.61,;3.18,3.61,;2.41,2.28,;.87,2.28,;.1,3.61,;7.03,2.28,;8.37,1.51,;8.37,3.05,;.1,-1.72,;-1.38,-2.12,;-.99,-3.61,;.5,-3.21,;-1.76,-4.94,;-3.3,-4.94,;-.99,-6.28,;-1.76,-7.61,)|
Nc1cc(ncn1)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C#N |(-6.44,6.87,;-6.44,5.33,;-5.11,4.56,;-5.11,3.02,;-6.44,2.25,;-7.78,3.02,;-7.78,4.56,;-4.34,1.69,;-5.11,.35,;-4.34,-.98,;-2.8,-.98,;-2.03,.35,;-2.8,1.69,;-2.03,3.02,;-2.8,4.35,;-.49,.35,;.28,-.98,;1.82,-.98,;2.59,.35,;4.13,.35,;4.9,1.69,;4.13,3.02,;2.59,3.02,;1.82,1.69,;.28,1.69,;-.49,3.02,;6.44,1.69,;7.78,.92,;7.78,2.46,;-.49,-2.32,;-1.98,-2.71,;-1.58,-4.2,;-.09,-3.8,;-2.35,-5.54,;-3.12,-6.87,)|
Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CCN(C1)C(=O)C=C |(-4.87,7.55,;-4.87,6.01,;-3.62,5.11,;-4.1,3.65,;-5.64,3.65,;-6.12,5.11,;-7.45,5.88,;-7.45,7.42,;-8.78,5.11,;-3.33,2.31,;-4.1,.98,;-3.33,-.36,;-1.79,-.36,;-1.02,.98,;-1.79,2.31,;-1.02,3.65,;-1.79,4.98,;.52,.98,;1.29,-.36,;2.83,-.36,;3.6,.98,;5.14,.98,;5.91,2.31,;5.14,3.65,;3.6,3.65,;2.83,2.31,;1.29,2.31,;.52,3.65,;7.45,2.31,;8.78,1.54,;8.78,3.08,;.52,-1.69,;-.94,-2.17,;-.94,-3.71,;.52,-4.18,;1.43,-2.94,;.92,-5.67,;-.17,-6.76,;2.41,-6.07,;2.8,-7.55,)|
Nc1cc(ncn1)-c1cccc(c1CO)-n1c(CC2CN(C2)C(=O)C=C)cc2cc(ccc2c1=O)C1CC1 |(-8.37,5.57,;-6.83,5.57,;-6.06,4.23,;-4.52,4.23,;-3.75,5.57,;-4.52,6.9,;-6.06,6.9,;-3.75,2.9,;-4.52,1.56,;-3.75,.23,;-2.21,.23,;-1.44,1.56,;-2.21,2.9,;-1.44,4.23,;-2.21,5.57,;.1,1.56,;.87,.23,;.1,-1.1,;.87,-2.44,;.47,-3.92,;1.96,-4.32,;2.36,-2.84,;2.36,-5.81,;3.85,-6.21,;1.27,-6.9,;-.22,-6.5,;2.41,.23,;3.18,1.56,;4.72,1.56,;5.49,2.9,;4.72,4.23,;3.18,4.23,;2.41,2.9,;.87,2.9,;.1,4.23,;7.03,2.9,;8.37,2.13,;8.37,3.67,)|
CNc1cc(ccn1)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C(=O)C=C |(-8.75,4.28,;-7.98,5.61,;-6.44,5.61,;-5.67,4.28,;-4.13,4.28,;-3.36,5.61,;-4.13,6.94,;-5.67,6.94,;-3.36,2.94,;-4.13,1.61,;-3.36,.28,;-1.82,.28,;-1.05,1.61,;-1.82,2.94,;-1.05,4.28,;-1.82,5.61,;.49,1.61,;1.26,.28,;2.8,.28,;3.57,1.61,;5.11,1.61,;5.88,2.94,;5.11,4.28,;3.57,4.28,;2.8,2.94,;1.26,2.94,;.49,4.28,;7.42,2.94,;8.75,2.17,;8.75,3.71,;.49,-1.06,;-1,-1.46,;-.6,-2.94,;.89,-2.55,;-1.37,-4.28,;-2.91,-4.28,;-.6,-5.61,;-1.37,-6.94,)|
Cn1cc(cc(N)c1=O)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CCN(C1)C(=O)C=C |(-4.52,7.88,;-4.52,6.34,;-3.75,5.01,;-4.52,3.67,;-6.06,3.67,;-6.83,5.01,;-8.37,5.01,;-6.06,6.34,;-6.83,7.67,;-3.75,2.34,;-4.52,1.01,;-3.75,-.33,;-2.21,-.33,;-1.44,1.01,;-2.21,2.34,;-1.44,3.67,;-2.21,5.01,;.1,1.01,;.87,-.33,;2.41,-.33,;3.18,1.01,;4.72,1.01,;5.49,2.34,;4.72,3.67,;3.18,3.67,;2.41,2.34,;.87,2.34,;.1,3.67,;7.03,2.34,;8.37,1.57,;8.37,3.11,;.1,-1.66,;-1.44,-1.66,;-1.91,-3.13,;-.67,-4.03,;.58,-3.13,;-.67,-5.57,;-2,-6.34,;.67,-6.34,;.67,-7.88,)|
Nc1cc(ccn1)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C(=O)C=C |(-6.44,7.54,;-6.44,6,;-5.11,5.23,;-5.11,3.69,;-6.44,2.92,;-7.78,3.69,;-7.78,5.23,;-4.34,2.35,;-5.11,1.02,;-4.34,-.32,;-2.8,-.32,;-2.03,1.02,;-2.8,2.35,;-2.03,3.69,;-2.8,5.02,;-.49,1.02,;.28,-.32,;1.82,-.32,;2.59,1.02,;4.13,1.02,;4.9,2.35,;4.13,3.69,;2.59,3.69,;1.82,2.35,;.28,2.35,;-.49,3.69,;6.44,2.35,;7.78,1.58,;7.78,3.12,;-.49,-1.65,;-1.98,-2.05,;-1.58,-3.53,;-.09,-3.14,;-2.35,-4.87,;-3.89,-4.87,;-1.58,-6.2,;-2.35,-7.54,)|
CN(Cc1cc2cc(ccc2c(=O)n1-c1cccc(-c2cc(C(N)=O)n(C)c2)c1CO)C1CC1)C(=O)C=C |(5.57,-1.82,;4.24,-2.59,;2.9,-1.82,;2.9,-.28,;4.24,.49,;4.24,2.03,;5.57,2.8,;5.57,4.34,;4.24,5.11,;2.9,4.34,;2.9,2.8,;1.57,2.03,;.24,2.8,;1.57,.49,;.24,-.28,;.24,-1.82,;-1.1,-2.59,;-2.43,-1.82,;-2.43,-.28,;-3.76,.49,;-5.23,.01,;-6.13,1.26,;-7.67,1.26,;-8.44,2.59,;-8.44,-.08,;-5.23,2.5,;-6,3.84,;-3.76,2.03,;-1.1,.49,;-1.1,2.03,;-2.43,2.8,;6.9,5.11,;8.44,5.11,;7.67,6.44,;4.24,-4.13,;5.57,-4.9,;2.9,-4.9,;2.9,-6.44,)|
CC#CC(=O)N1CC(C1)c1cc2cc(ccc2c(=O)n1-c1cccc(-c2cc(C(N)=O)n(C)c2)c1CO)C1CC1 |(.97,-8.23,;.2,-6.9,;-.57,-5.57,;-1.34,-4.23,;-2.88,-4.23,;-.57,-2.9,;-.97,-1.41,;.52,-1.01,;.92,-2.5,;1.29,.32,;2.83,.32,;3.6,1.66,;5.14,1.66,;5.91,2.99,;5.14,4.32,;3.6,4.32,;2.83,2.99,;1.29,2.99,;.52,4.32,;.52,1.66,;-1.02,1.66,;-1.79,.32,;-3.33,.32,;-4.1,1.66,;-3.33,2.99,;-4.1,4.32,;-5.64,4.32,;-6.12,5.79,;-7.45,6.56,;-7.45,8.1,;-8.78,5.79,;-4.87,6.69,;-4.87,8.23,;-3.62,5.79,;-1.79,2.99,;-1.02,4.32,;-1.79,5.66,;7.45,2.99,;8.78,2.22,;8.78,3.76,)|
Nc1cc(ccn1)-c1cccc(c1Cl)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C(=O)C=C |(-6.44,7.54,;-6.44,6,;-5.11,5.23,;-5.11,3.69,;-6.44,2.92,;-7.78,3.69,;-7.78,5.23,;-4.34,2.35,;-5.11,1.02,;-4.34,-.32,;-2.8,-.32,;-2.03,1.02,;-2.8,2.35,;-2.03,3.69,;-.49,1.02,;.28,-.32,;1.82,-.32,;2.59,1.02,;4.13,1.02,;4.9,2.35,;4.13,3.69,;2.59,3.69,;1.82,2.35,;.28,2.35,;-.49,3.69,;6.44,2.35,;7.78,1.58,;7.78,3.12,;-.49,-1.65,;-1.98,-2.05,;-1.58,-3.53,;-.09,-3.14,;-2.35,-4.87,;-3.89,-4.87,;-1.58,-6.2,;-2.35,-7.54,)|
Nc1cc(ncn1)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C(=O)C=C |(-6.44,7.54,;-6.44,6,;-5.11,5.23,;-5.11,3.69,;-6.44,2.92,;-7.78,3.69,;-7.78,5.23,;-4.34,2.35,;-5.11,1.02,;-4.34,-.32,;-2.8,-.32,;-2.03,1.02,;-2.8,2.35,;-2.03,3.69,;-2.8,5.02,;-.49,1.02,;.28,-.32,;1.82,-.32,;2.59,1.02,;4.13,1.02,;4.9,2.35,;4.13,3.69,;2.59,3.69,;1.82,2.35,;.28,2.35,;-.49,3.69,;6.44,2.35,;7.78,1.58,;7.78,3.12,;-.49,-1.65,;-1.98,-2.05,;-1.58,-3.53,;-.09,-3.14,;-2.35,-4.87,;-3.89,-4.87,;-1.58,-6.2,;-2.35,-7.54,)|
OCc1c(cccc1-n1c(cc2cc(ccc2c1=O)C1CC1)C1CCN(C1)C(=O)C=C)-c1ccncc1 |(-2.98,5.6,;-2.21,4.27,;-2.98,2.93,;-4.52,2.93,;-5.29,1.6,;-4.52,.27,;-2.98,.27,;-2.21,1.6,;-.67,1.6,;.1,.27,;1.64,.27,;2.41,1.6,;3.95,1.6,;4.72,2.93,;3.95,4.27,;2.41,4.27,;1.64,2.93,;.1,2.93,;-.67,4.27,;6.26,2.93,;7.6,2.16,;7.6,3.7,;-.67,-1.07,;-2.13,-1.54,;-2.13,-3.08,;-.67,-3.56,;.24,-2.31,;-.27,-5.05,;-1.36,-6.14,;1.22,-5.45,;1.62,-6.93,;-5.29,4.27,;-4.52,5.6,;-5.29,6.93,;-6.83,6.93,;-7.6,5.6,;-6.83,4.27,)|
CN(Cc1cc2cc(ccc2c(=O)n1-c1cccc(-c2ccnc(N)c2)c1CO)C1CC1)C(=O)C=C |(5.23,-1.82,;3.9,-2.59,;2.56,-1.82,;2.56,-.28,;3.9,.49,;3.9,2.03,;5.23,2.8,;5.23,4.34,;3.9,5.11,;2.56,4.34,;2.56,2.8,;1.23,2.03,;-.1,2.8,;1.23,.49,;-.1,-.28,;-.1,-1.82,;-1.44,-2.59,;-2.77,-1.82,;-2.77,-.28,;-4.1,.49,;-4.1,2.03,;-5.44,2.8,;-6.77,2.03,;-6.77,.49,;-8.11,-.28,;-5.44,-.28,;-1.44,.49,;-1.44,2.03,;-2.77,2.8,;6.57,5.11,;8.11,5.11,;7.34,6.44,;3.9,-4.13,;5.23,-4.9,;2.56,-4.9,;2.56,-6.44,)|
CN(Cc1cc2cc(ccc2c(=O)n1-c1cccc(c1CO)-c1cc(N)c(=O)n(C)c1)C1CC1)C(=O)C=C |(5.23,-1.82,;3.9,-2.59,;2.56,-1.82,;2.56,-.28,;3.9,.49,;3.9,2.03,;5.23,2.8,;5.23,4.34,;3.9,5.11,;2.56,4.34,;2.56,2.8,;1.23,2.03,;-.1,2.8,;1.23,.49,;-.1,-.28,;-.1,-1.82,;-1.44,-2.59,;-2.77,-1.82,;-2.77,-.28,;-1.44,.49,;-1.44,2.03,;-2.77,2.8,;-4.1,.49,;-5.44,-.28,;-6.77,.49,;-8.11,-.28,;-6.77,2.03,;-8.11,2.8,;-5.44,2.8,;-5.44,4.34,;-4.1,2.03,;6.57,5.11,;8.11,5.11,;7.34,6.44,;3.9,-4.13,;5.23,-4.9,;2.56,-4.9,;2.56,-6.44,)|
OCc1c(cccc1-n1c(cc2cc(ccc2c1=O)C1CC1)C1CCN(C1)C(=O)C=C)-c1ccn2cncc2c1 |(-2.87,3.01,;-1.53,2.24,;-1.53,.7,;-2.87,-.07,;-2.87,-1.61,;-1.53,-2.38,;-.2,-1.61,;-.2,-.07,;1.14,.7,;2.47,-.07,;3.8,.7,;3.8,2.24,;5.14,3.01,;5.14,4.55,;3.8,5.32,;2.47,4.55,;2.47,3.01,;1.14,2.24,;-.2,3.01,;6.47,5.32,;8.01,5.32,;7.24,6.65,;2.47,-1.61,;1.22,-2.52,;1.7,-3.98,;3.24,-3.98,;3.72,-2.52,;4.01,-5.32,;3.24,-6.65,;5.55,-5.32,;6.32,-6.65,;-4.2,.7,;-5.53,-.07,;-6.87,.7,;-6.87,2.24,;-8.01,3.27,;-7.38,4.67,;-5.85,4.51,;-5.53,3.01,;-4.2,2.24,)|
C\C=C\C(=O)N1CC(C1)c1cc2cc(ccc2c(=O)n1-c1cccc(-c2cc(C(N)=O)n(C)c2)c1CO)C1CC1 |(-.57,-8.23,;-1.34,-6.9,;-.57,-5.57,;-1.34,-4.23,;-2.88,-4.23,;-.57,-2.9,;-.97,-1.41,;.52,-1.01,;.92,-2.5,;1.29,.32,;2.83,.32,;3.6,1.66,;5.14,1.66,;5.91,2.99,;5.14,4.32,;3.6,4.32,;2.83,2.99,;1.29,2.99,;.52,4.32,;.52,1.66,;-1.02,1.66,;-1.79,.32,;-3.33,.32,;-4.1,1.66,;-3.33,2.99,;-4.1,4.32,;-5.64,4.32,;-6.12,5.79,;-7.45,6.56,;-7.45,8.1,;-8.78,5.79,;-4.87,6.69,;-4.87,8.23,;-3.62,5.79,;-1.79,2.99,;-1.02,4.32,;-1.79,5.66,;7.45,2.99,;8.78,2.22,;8.78,3.76,)|
OCc1c(cccc1-n1c(CC2CN(C2)C(=O)C=C)cc2cc(ccc2c1=O)C1CC1)-c1ccc2cncn2c1 |(-1.61,6.14,;-.84,4.81,;-1.61,3.48,;-3.15,3.48,;-3.92,2.14,;-3.15,.81,;-1.61,.81,;-.84,2.14,;.7,2.14,;1.47,.81,;.7,-.53,;1.47,-1.86,;1.07,-3.35,;2.56,-3.75,;2.95,-2.26,;2.95,-5.23,;1.87,-6.32,;4.44,-5.63,;4.84,-7.12,;3.01,.81,;3.78,2.14,;5.32,2.14,;6.09,3.48,;5.32,4.81,;3.78,4.81,;3.01,3.48,;1.47,3.48,;.7,4.81,;7.63,3.48,;8.96,2.71,;8.96,4.25,;-3.92,4.81,;-3.92,6.35,;-5.26,7.12,;-6.59,6.35,;-8.06,6.82,;-8.96,5.58,;-8.06,4.33,;-6.59,4.81,;-5.26,4.04,)|
CC#CC(=O)N1CC(C1)c1cc2cc(ccc2c(=O)n1-c1cccc(-c2cc(N)c(=O)n(C)c2)c1CO)C1CC1 |(.55,-8.28,;-.22,-6.94,;-.99,-5.61,;-1.76,-4.28,;-3.3,-4.28,;-.99,-2.94,;-1.38,-1.46,;.1,-1.06,;.5,-2.55,;.87,.28,;2.41,.28,;3.18,1.61,;4.72,1.61,;5.49,2.94,;4.72,4.28,;3.18,4.28,;2.41,2.94,;.87,2.94,;.1,4.28,;.1,1.61,;-1.44,1.61,;-2.21,.28,;-3.75,.28,;-4.52,1.61,;-3.75,2.94,;-4.52,4.28,;-6.06,4.28,;-6.83,5.61,;-8.37,5.61,;-6.06,6.94,;-6.83,8.28,;-4.52,6.94,;-3.75,8.28,;-3.75,5.61,;-2.21,2.94,;-1.44,4.28,;-2.21,5.61,;7.03,2.94,;8.37,2.17,;8.37,3.71,)|
CNc1cc(ccn1)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C(=O)\C=C\C |(-8.75,4.94,;-7.98,6.28,;-6.44,6.28,;-5.67,4.94,;-4.13,4.94,;-3.36,6.28,;-4.13,7.61,;-5.67,7.61,;-3.36,3.61,;-4.13,2.28,;-3.36,.94,;-1.82,.94,;-1.05,2.28,;-1.82,3.61,;-1.05,4.94,;-1.82,6.28,;.49,2.28,;1.26,.94,;2.8,.94,;3.57,2.28,;5.11,2.28,;5.88,3.61,;5.11,4.94,;3.57,4.94,;2.8,3.61,;1.26,3.61,;.49,4.94,;7.42,3.61,;8.75,2.84,;8.75,4.38,;.49,-.39,;-1,-.79,;-.6,-2.28,;.89,-1.88,;-1.37,-3.61,;-2.91,-3.61,;-.6,-4.94,;-1.37,-6.28,;-.6,-7.61,)|
CC#CC(=O)N1CC(C1)c1cc2cc(ccc2c(=O)n1-c1cccc(-c2ccc3[nH]ncc3c2)c1CO)C1CC1 |(.54,-8.27,;-.23,-6.93,;-1,-5.6,;-1.77,-4.27,;-3.31,-4.27,;-1,-2.93,;-1.4,-1.44,;.08,-1.05,;.48,-2.53,;.85,.29,;2.39,.29,;3.16,1.62,;4.7,1.62,;5.47,2.96,;4.7,4.29,;3.16,4.29,;2.39,2.96,;.85,2.96,;.08,4.29,;.08,1.62,;-1.46,1.62,;-2.23,.29,;-3.77,.29,;-4.54,1.62,;-3.77,2.96,;-4.54,4.29,;-5.87,3.52,;-7.2,4.29,;-7.2,5.83,;-8.35,6.86,;-7.72,8.27,;-6.19,8.11,;-5.87,6.6,;-4.54,5.83,;-2.23,2.96,;-1.46,4.29,;-2.23,5.62,;7.01,2.96,;8.35,2.19,;8.35,3.73,)|
Cn1cc(cc(N)c1=O)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CCN(C1)C#N |(-3.75,7.39,;-4.52,6.06,;-3.75,4.73,;-4.52,3.39,;-6.06,3.39,;-6.83,4.73,;-8.37,4.73,;-6.06,6.06,;-6.83,7.39,;-3.75,2.06,;-4.52,.72,;-3.75,-.61,;-2.21,-.61,;-1.44,.72,;-2.21,2.06,;-1.44,3.39,;-2.21,4.73,;.1,.72,;.87,-.61,;2.41,-.61,;3.18,.72,;4.72,.72,;5.49,2.06,;4.72,3.39,;3.18,3.39,;2.41,2.06,;.87,2.06,;.1,3.39,;7.03,2.06,;8.37,1.29,;8.37,2.83,;.1,-1.94,;-1.44,-1.94,;-1.91,-3.41,;-.67,-4.31,;.58,-3.41,;-.67,-5.85,;-.67,-7.39,)|
CN(Cc1cc2cc(ccc2c(=O)n1-c1cccc(-c2cc(N)c(=O)n(C)c2)c1CO)C1CC1)C#N |(5.23,-2.21,;3.9,-2.98,;2.56,-2.21,;2.56,-.67,;3.9,.1,;3.9,1.64,;5.23,2.41,;5.23,3.95,;3.9,4.72,;2.56,3.95,;2.56,2.41,;1.23,1.64,;-.1,2.41,;1.23,.1,;-.1,-.67,;-.1,-2.21,;-1.44,-2.98,;-2.77,-2.21,;-2.77,-.67,;-4.1,.1,;-5.44,-.67,;-6.77,.1,;-8.11,-.67,;-6.77,1.64,;-8.11,2.41,;-5.44,2.41,;-5.44,3.95,;-4.1,1.64,;-1.44,.1,;-1.44,1.64,;-2.77,2.41,;6.57,4.72,;8.11,4.72,;7.34,6.06,;3.9,-4.52,;3.9,-6.06,)|
CNc1cc(ccn1)-c1cccc(c1CO)-n1c(CC2CN(C2)C(=O)C=C)cc2cc(ccc2c1=O)C1CC1 |(-8.75,4.94,;-7.98,6.28,;-6.44,6.28,;-5.67,4.94,;-4.13,4.94,;-3.36,6.28,;-4.13,7.61,;-5.67,7.61,;-3.36,3.61,;-4.13,2.28,;-3.36,.94,;-1.82,.94,;-1.05,2.28,;-1.82,3.61,;-1.05,4.94,;-1.82,6.28,;.49,2.28,;1.26,.94,;.49,-.39,;1.26,-1.72,;.86,-3.21,;2.35,-3.61,;2.75,-2.12,;3.12,-4.94,;4.66,-4.94,;2.35,-6.28,;3.12,-7.61,;2.8,.94,;3.57,2.28,;5.11,2.28,;5.88,3.61,;5.11,4.94,;3.57,4.94,;2.8,3.61,;1.26,3.61,;.49,4.94,;7.42,3.61,;8.75,2.84,;8.75,4.38,)|
CC#CC(=O)N(C)Cc1cc2cc(ccc2c(=O)n1-c1cccc(-c2cc(C(N)=O)n(C)c2)c1CO)C1CC1 |(8.24,-6.44,;6.9,-5.67,;5.57,-4.9,;4.24,-4.13,;2.9,-4.9,;4.24,-2.59,;5.57,-1.82,;2.9,-1.82,;2.9,-.28,;4.24,.49,;4.24,2.03,;5.57,2.8,;5.57,4.34,;4.24,5.11,;2.9,4.34,;2.9,2.8,;1.57,2.03,;.24,2.8,;1.57,.49,;.24,-.28,;.24,-1.82,;-1.1,-2.59,;-2.43,-1.82,;-2.43,-.28,;-3.76,.49,;-5.23,.01,;-6.13,1.26,;-7.67,1.26,;-8.44,2.59,;-8.44,-.08,;-5.23,2.5,;-6,3.84,;-3.76,2.03,;-1.1,.49,;-1.1,2.03,;-2.43,2.8,;6.9,5.11,;8.44,5.11,;7.67,6.44,)|
CNc1cc(ccn1)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C(=O)C#CC |(-8.75,4.94,;-7.98,6.28,;-6.44,6.28,;-5.67,4.94,;-4.13,4.94,;-3.36,6.28,;-4.13,7.61,;-5.67,7.61,;-3.36,3.61,;-4.13,2.28,;-3.36,.94,;-1.82,.94,;-1.05,2.28,;-1.82,3.61,;-1.05,4.94,;-1.82,6.28,;.49,2.28,;1.26,.94,;2.8,.94,;3.57,2.28,;5.11,2.28,;5.88,3.61,;5.11,4.94,;3.57,4.94,;2.8,3.61,;1.26,3.61,;.49,4.94,;7.42,3.61,;8.75,2.84,;8.75,4.38,;.49,-.39,;-1,-.79,;-.6,-2.28,;.89,-1.88,;-1.37,-3.61,;-2.91,-3.61,;-.6,-4.94,;.17,-6.28,;.94,-7.61,)|
CN(Cc1cc2cc(ccc2c(=O)n1-c1cccc(c1CO)-c1cccc(c1)C(N)=O)C1CC1)C(=O)C=C |(5.9,-1.82,;4.56,-2.59,;3.23,-1.82,;3.23,-.28,;4.56,.49,;4.56,2.03,;5.9,2.8,;5.9,4.34,;4.56,5.11,;3.23,4.34,;3.23,2.8,;1.9,2.03,;.56,2.8,;1.9,.49,;.56,-.28,;.56,-1.82,;-.77,-2.59,;-2.1,-1.82,;-2.1,-.28,;-.77,.49,;-.77,2.03,;-2.1,2.8,;-3.44,.49,;-3.44,2.03,;-4.77,2.8,;-6.1,2.03,;-6.1,.49,;-4.77,-.28,;-7.44,-.28,;-8.77,.49,;-7.44,-1.82,;7.23,5.11,;8.77,5.11,;8,6.44,;4.56,-4.13,;5.9,-4.9,;3.23,-4.9,;3.23,-6.44,)|
Nc1nccc(c1F)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CCN(C1)C(=O)C=C |(-8.37,5.6,;-6.83,5.6,;-6.06,6.93,;-4.52,6.93,;-3.75,5.6,;-4.52,4.27,;-6.06,4.27,;-6.83,2.93,;-3.75,2.93,;-4.52,1.6,;-3.75,.27,;-2.21,.27,;-1.44,1.6,;-2.21,2.93,;-1.44,4.27,;-2.21,5.6,;.1,1.6,;.87,.27,;2.41,.27,;3.18,1.6,;4.72,1.6,;5.49,2.93,;4.72,4.27,;3.18,4.27,;2.41,2.93,;.87,2.93,;.1,4.27,;7.03,2.93,;8.37,2.16,;8.37,3.7,;.1,-1.07,;-1.36,-1.54,;-1.36,-3.08,;.1,-3.56,;1.01,-2.31,;.5,-5.05,;-.59,-6.14,;1.99,-5.45,;2.39,-6.93,)|
COc1cc(cc2cc(CC3CN(C3)C(=O)C=C)n(-c3cccc(-c4cc(C(N)=O)n(C)c4)c3CO)c(=O)c12)C1CC1 |(.73,6.32,;.73,4.78,;2.06,4.01,;3.4,4.78,;4.73,4.01,;4.73,2.47,;3.4,1.7,;3.4,.16,;2.06,-.61,;2.06,-2.15,;3.4,-2.92,;3.8,-4.41,;5.28,-4.01,;4.88,-2.52,;6.62,-4.78,;6.62,-6.32,;7.95,-4.01,;9.28,-4.78,;.73,.16,;-.6,-.61,;-.6,-2.15,;-1.94,-2.92,;-3.27,-2.15,;-3.27,-.61,;-4.6,.16,;-6.07,-.32,;-6.97,.93,;-8.51,.93,;-9.28,2.26,;-9.28,-.4,;-6.07,2.18,;-6.84,3.51,;-4.6,1.7,;-1.94,.16,;-1.94,1.7,;-3.27,2.47,;.73,1.7,;-.6,2.47,;2.06,2.47,;6.06,4.78,;7.6,4.78,;6.83,6.11,)|
Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1c(cc2cc(cc(F)c2c1=O)C1CC1)C1CN(C1)C(=O)C=C |(-4.87,7.57,;-4.87,6.03,;-3.62,5.12,;-4.1,3.66,;-5.64,3.66,;-6.12,5.12,;-7.45,5.89,;-7.45,7.43,;-8.78,5.12,;-3.33,2.32,;-4.1,.99,;-3.33,-.34,;-1.79,-.34,;-1.02,.99,;-1.79,2.32,;-1.02,3.66,;-1.79,4.99,;.52,.99,;1.29,-.34,;2.83,-.34,;3.6,.99,;5.14,.99,;5.91,2.32,;5.14,3.66,;3.6,3.66,;2.83,4.99,;2.83,2.32,;1.29,2.32,;.52,3.66,;7.45,2.32,;8.78,1.55,;8.78,3.09,;.52,-1.68,;-.97,-2.08,;-.57,-3.56,;.92,-3.17,;-1.34,-4.9,;-2.88,-4.9,;-.57,-6.23,;-1.34,-7.57,)|
Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1c(CC2CN(C2)C(=O)C=C)cc2cc(cc(F)c2c1=O)C1CC1 |(-6.84,3.61,;-6.07,2.28,;-4.6,1.8,;-4.6,.26,;-6.07,-.21,;-6.97,1.03,;-8.51,1.03,;-9.28,2.37,;-9.28,-.3,;-3.27,-.51,;-3.27,-2.05,;-1.94,-2.82,;-.6,-2.05,;-.6,-.51,;-1.94,.26,;-1.94,1.8,;-3.27,2.57,;.73,.26,;2.06,-.51,;2.06,-2.05,;3.4,-2.82,;3.8,-4.3,;5.28,-3.91,;4.88,-2.42,;6.62,-4.68,;6.62,-6.22,;7.95,-3.91,;9.28,-4.68,;3.4,.26,;3.4,1.8,;4.73,2.57,;4.73,4.11,;3.4,4.88,;2.06,4.11,;.73,4.88,;2.06,2.57,;.73,1.8,;-.6,2.57,;6.06,4.88,;7.6,4.88,;6.83,6.22,)|
CCCOc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:21.22,24.26,(3.02,11.02,;2.37,9.63,;3.46,8.54,;4.95,8.94,;6.04,7.85,;5.64,6.36,;4.15,5.96,;3.06,7.05,;1.57,6.65,;.49,7.74,;1.18,5.16,;-.31,4.77,;-.71,3.28,;.38,2.19,;-.02,.7,;-1.51,.3,;-2.6,1.39,;-2.2,2.88,;-1.91,-1.18,;-1,-2.43,;-1.91,-3.68,;-1.51,-5.16,;-2.6,-6.25,;-2.2,-7.74,;-.71,-8.14,;-.31,-9.63,;.38,-7.05,;-.02,-5.56,;-3.37,-3.2,;-4.7,-3.97,;-6.04,-3.2,;-6.04,-1.66,;-4.7,-.89,;-4.7,.65,;-3.37,-1.66,)|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wD:21.22,24.26,(3.02,11.02,;2.37,9.63,;3.46,8.54,;4.95,8.94,;6.04,7.85,;5.64,6.36,;4.15,5.96,;3.06,7.05,;1.57,6.65,;.49,7.74,;1.18,5.16,;-.31,4.77,;-.71,3.28,;.38,2.19,;-.02,.7,;-1.51,.3,;-2.6,1.39,;-2.2,2.88,;-1.91,-1.18,;-1,-2.43,;-1.91,-3.68,;-1.51,-5.16,;-.02,-5.56,;.38,-7.05,;-.71,-8.14,;-.31,-9.63,;-2.2,-7.74,;-2.6,-6.25,;-3.37,-3.2,;-4.7,-3.97,;-6.04,-3.2,;-6.04,-1.66,;-4.7,-.89,;-4.7,.65,;-3.37,-1.66,)|
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2CC[C@@H](CC2)C(=O)N(C)C)c2ncnc(N)c12 |r,wD:21.22,24.29,(.27,6.33,;1.48,7.28,;1.01,8.75,;2.04,9.89,;1.56,11.36,;.06,11.68,;-.97,10.53,;-.5,9.07,;-1.53,7.92,;-3.04,8.24,;-1.05,6.46,;-2.08,5.31,;-1.61,3.85,;-2.64,2.7,;-2.16,1.24,;-.66,.92,;.37,2.06,;-.1,3.53,;-.18,-.55,;-1.09,-1.79,;-.18,-3.04,;-.66,-4.5,;.37,-5.65,;-.1,-7.11,;-1.61,-7.43,;-2.64,-6.29,;-2.16,-4.82,;-2.08,-8.9,;-1.05,-10.04,;-3.59,-9.22,;-4.07,-10.68,;-4.62,-8.07,;1.28,-2.56,;2.62,-3.33,;3.95,-2.56,;3.95,-1.02,;2.62,-.25,;2.62,1.29,;1.28,-1.02,)|
COc1ccc2ccccc2c1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(CC(C)C)c2ncnc(N)c12
Cc1cccc(Nc2ccnc(Nc3cccc(NC(=O)C=C)c3)n2)c1
Cc1cccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)ncc2C)c1
Cc1cccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)ncc2F)c1
CN(C)C\C=C\C(=O)Nc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1
Cc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1Nc1ccccc1
Cc1cnc(Nc2ccccc2)nc1Nc1cccc(NC(=O)C=C)c1
Cc1ccc(NC(=O)C=C)cc1Nc1ncc(C)c(Nc2cccc(Br)c2)n1
Cc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1Nc1cccc(Br)c1
Cc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1Nc1ccc2CN(CCc2c1)S(=O)(=O)C1CC1
Cc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1Nc1ccc2CN(CCc2c1)C(=O)CCl
Cc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1Nc1ccc(Oc2ccccc2)cc1
Cc1cnc(Nc2ccccc2)nc1NC1CCCN(C1)C(=O)C=C
Fc1cnc(Nc2ccccc2)nc1Nc1cccc(NC(=O)C=C)c1
Cc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1Nc1cccc(NC(=O)C=C)c1
CN(c1cccc(NC(=O)C=C)c1)c1nc(Nc2ccccc2)ncc1C
Cc1cnc(Nc2cccc(OCC#C)c2)nc1Nc1cccc(NC(=O)C=C)c1
CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1
Cc1cnc(Nc2ccccc2)nc1Nc1ccc(NC(=O)C=C)cc1
Cc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1Nc1ccc2CN(CCc2c1)C(=O)C=C
Cc1cnc(Nc2cccc(OCCCNC(=O)OC(C)(C)C)c2)nc1Nc1cccc(NC(=O)C=C)c1
Fc1cnc(Nc2ccc(O[C@H]3CCOC3)nc2)nc1Nc1cccc(NC(=O)C=C)c1 |r|
CS(=O)(=O)CCCOc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1Cl
Cc1ccc(NC(=O)C=C)cc1Nc1nccc(n1)-c1cccnc1
C\C=C\C(=O)OCc1ccc(Nc2nc(Nc3ccccc3)ncc2C)cc1
Fc1cnc(Nc2ccc(O[C@@H]3CCOC3)nc2)nc1Nc1cccc(NC(=O)C=C)c1 |r|
Fc1cnc(Nc2ccc(OCCN3CCCC3=O)nc2)nc1Nc1cccc(NC(=O)C=C)c1
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(c3)C(O)C(=C)C#N)n2)cc1
Fc1cnc(Nc2ccc(nc2)N2CCS(=O)(=O)CC2)nc1Nc1cccc(NC(=O)C=C)c1
CC(C)(O)COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
COc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1Cl
CN1CCC(COc2cccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)c2)CC1
CN1CCCC(COc2cccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)c2)C1
COCCN(C)c1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
CN1CCC(COc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cn2)CC1
Fc1cnc(Nc2ccc(OC3CCC3)nc2)nc1Nc1cccc(NC(=O)C=C)c1
CS(=O)(=O)CCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
CN1CCCC(COc2cccc(Nc3ncc(F)c(Oc4cccc(NC(=O)C=C)c4)n3)c2)C1
CN1CCC(COc2cccc(Nc3ncc(F)c(Oc4cccc(NC(=O)C=C)c4)n3)c2)CC1
OCCN1CCN(CC1)c1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
OCCN1CCN(CC1)c1cccc(Nc2ncc(F)c(Oc3cccc(NC(=O)C=C)c3)n2)c1
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C(=C)Cn4cccn4)c3)n2)cc1
Fc1cnc(Nc2ccc(OCc3ccccn3)c(Cl)c2)nc1Nc1cccc(NC(=O)C=C)c1
COCCOc1ccc(Nc2ncc(F)c(Nc3ccc(F)c(NC(=O)C=C)c3)n2)cc1
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)\C=C\CN4CC[C@H](O)C4)c3)n2)cc1 |r|
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)\C=C\CN4CC[C@@H](O)C4)c3)n2)cc1 |r|
CN1CCC(COc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)CC1
CC(C)(CO)Oc1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
Fc1cnc(Nc2ccc(OCCN3CCCC3=O)cc2)nc1Nc1cccc(NC(=O)C=C)c1
CC(C)(CO)Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
COCCOc1ccc(Nc2ncc(F)c(Nc3ccc4CCN(C(=O)C=C)c4c3)n2)cc1
COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F
Cc1cccc(Nc2nc(Nc3cccc(NC(=O)C(=C)Cn4cccn4)c3)ncc2F)c1
Cc1cccc(Nc2nc(Nc3cccc(NC(=O)\C=C\CN4CC[C@H](O)C4)c3)ncc2F)c1 |r|
Cc1cccc(Nc2nc(Nc3cccc(NC(=O)\C=C\Cn4cccn4)c3)ncc2F)c1
Cc1cccc(Nc2nc(Nc3cccc(NC(=O)\C=C\CN4CC5CC4CN5)c3)ncc2F)c1
Cc1cccc(Nc2nc(Nc3cccc(NC(=O)\C=C\CN4CCOCC4)c3)ncc2F)c1
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
Cc1cccc(Nc2nc(Nc3cccc(NC(=O)\C=C\CN4CC[C@@H](O)C4)c3)ncc2F)c1 |r|
OCCOc1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
Fc1cnc(Nc2ccc3CN(Cc3c2)C(=O)C=C)nc1Nc1cccc(c1)C#N
CC(C)Oc1ccc(Nc2ncc(F)c(Nc3ccc(Cl)c(NC(=O)C=C)c3)n2)cn1
COCCOc1ccc(Nc2ncc(F)c(Nc3ccc(Cl)c(NC(=O)C=C)c3)n2)cc1
COCCOc1ccc(Nc2ncc(C#N)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Fc1cnc(Nc2cccc(OCC(=O)N3CCOCC3)c2)nc1Nc1cccc(NC(=O)C=C)c1
CN(Cc1ccc(Oc2nc(Nc3cccc(OCCCN4CCCC4=O)c3)ncc2F)cc1)C(=O)C=C
CC(=O)N1CCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc12
COc1cccc(Nc2ncc(F)c(Nc3ccc(CN(C)C(=O)C=C)cc3)n2)c1
COc1ccc(Nc2ncc(F)c(Nc3ccc(CN(C)C(=O)C=C)cc3)n2)cn1
COc1cccc(Nc2ncc(F)c(Nc3cccc(CN(C)C(=O)C=C)c3)n2)c1
CS(=O)(=O)CCCOc1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
COc1ccc(Nc2ncc(F)c(Oc3ccc(CN(C)C(=O)C=C)cc3)n2)cn1
CC(C)(O)COc1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
C[C@H]1CN(C\C=C\C(=O)Nc2cccc(Nc3ncc(F)c(Nc4cccc(C)c4)n3)c2)C[C@@H](C)N1 |r|
COCCN(C)C\C=C\C(=O)Nc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1
CC(=O)c1cnc(Nc2ccc(OCCO)nc2)nc1Nc1cccc(NC(=O)C=C)c1
COCCOc1ccc(Nc2ncc(C(C)=O)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
Cc1cccc(Nc2nc(Nc3cccc(NC(=O)\C=C\CN4CCC4)c3)ncc2F)c1
COCCOc1ccc(Nc2ncc(C(C)=O)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)\C=C\CN(C)C)c3)n2)cn1
CN1CCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc12
CN(c1cccc(NC(=O)C=C)c1)c1nc(Nc2ccc3OCCN(C)c3c2)ncc1F
CC(=O)c1cnc(Nc2ccc(OCCO)nc2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1
CC(=O)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1
Fc1cnc(Nc2ccc3OCCN(C(=O)C=C)c3c2)nc1Nc1ccc2NC(=O)Cc2c1
COCCOc1ccc(Nc2ncc(C3CC3)c(Oc3cccc(NC(=O)C=C)c3)n2)cc1
COc1cccc(Nc2ncc(c(Nc3ccc4CN(Cc4c3)C(=O)C=C)n2)C(F)(F)F)c1
COc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc(OC)c1OC
COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1OC
Fc1cnc(Nc2cccc(OCCN3CCOCC3)c2)nc1N[C@@H]1CCCN(C1)C(=O)C=C |r|
CN(Cc1ccc(Oc2nc(Nc3cccc(OCCCS(C)(=O)=O)c3)ncc2F)cc1)C(=O)C=C
COc1cccc(Nc2ncc(F)c(S[C@@H]3CCCN(C3)C(=O)C=C)n2)c1 |r|
COCCOc1ccc(Nc2ncc(C3CC3)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
CS(=O)(=O)N1CCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc12
COCCOc1ccc(Nc2ncc(F)c(Nc3ccc4OCCN(C(=O)C=C)c4c3)n2)cc1
CN(C(=O)C(F)(F)F)c1ccc(Nc2ncc(C(C)=O)c(Nc3ccc4OCCN(C(=O)C=C)c4c3)n2)cn1
Fc1cnc(Nc2ccc3OCCN(C(=O)C(F)(F)F)c3c2)nc1Nc1cccc(NC(=O)C=C)c1
Fc1cnc(Nc2cccc(OCCCN3CCCC3=O)c2)nc1Nc1cccc(NC(=O)C=C)c1
OCc1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
CN(Cc1ccc(Nc2nc(Nc3cccc(OCCN4CCCC4=O)c3)ncc2F)cc1)C(=O)C=C
Fc1cnc(Nc2cccc(Cl)c2)nc1N[C@@H]1CCCN(C1)C(=O)C=C |r|
COc1cc(Nc2ncc(F)c(Cc3cccc(NC(=O)C=C)c3)n2)cc(OC)c1OC
Fc1cnc(Nc2ccc3OCCN(C(=O)C=C)c3c2)nc1Nc1cccc(Cl)c1
COCCOc1ccc(Nc2ncc(C(C)=O)c(Nc3ccc4OCCN(C(=O)C=C)c4c3)n2)cc1
CC(C)(C)OC(=O)n1ncc2cc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)ccc12
CC(=O)c1cnc(Nc2ccc(cc2)N2CCCC2=O)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1
CC(=O)c1cnc(Nc2ccc3[nH]ncc3c2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1
CC(=O)c1cnc(Nc2ccc3n(C)ncc3c2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1
Cn1ncc2cc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)ccc12
Fc1cnc(Nc2ccc3[nH]ncc3c2)nc1Nc1cccc(NC(=O)C=C)c1
C=CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C#N)c1
COc1cccc(Nc2ncc(OC)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
COc1ccc(Nc2ncc(C(=O)Nc3ccccc3)c(Oc3cccc(NC(=O)C=C)c3)n2)cn1
NS(=O)(=O)c1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
OC(C(=C)C#N)c1ccc(Nc2nc(Nc3ccccc3)ncc2F)cc1
Fc1cnc(Nc2cccc(OCCCN3CCCC3=O)c2)nc1Oc1cccc(NC(=O)C=C)c1
OC(C(=C)C#N)c1cccc(Nc2nc(Nc3cccc(OC(F)(F)F)c3)ncc2F)c1
Fc1cnc(Nc2cccc(OCCN3CCCC3=O)c2)nc1Oc1cccc(NC(=O)C=C)c1
COc1ccc(Nc2ncc(F)c(Nc3ccc4CN(Cc4c3)C(=O)C=C)n2)cn1
COc1ccc(Nc2ncc(F)c(Nc3ccc4CCN(C(=O)C=C)c4c3)n2)cn1
COc1ccc(Nc2ncc(C3CC3)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
CC(=O)c1cnc(Nc2ccc(nc2)N2CCOCC2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1
CC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1
COc1ccc(Nc2ncc(C(C)=O)c(Nc3ccc4OCCN(C(=O)C=C)c4c3)n2)cn1
COc1ccc(Nc2ncc(C#N)c(n2)N(C(=O)C=C)c2cccc(NC(=O)C=C)c2)cn1
CC(C)Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
COc1ccc(Nc2ncc(C#N)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
Fc1cnc(Nc2ccc3OCCNc3c2)nc1Nc1cccc(NC(=O)C=C)c1
CC(C)(C)OC(=O)N1CCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc12
COc1ccc(Nc2ncc(C(=O)NC3CC3)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
COc1cccc(Nc2ncc(C(=O)NC3CC3)c(Oc3cccc(NC(=O)C=C)c3)n2)c1
COc1cccc(Nc2ncc(C(N)=O)c(Oc3cccc(NC(=O)C=C)c3)n2)c1
COc1cccc(Nc2ncc(F)c(OC3CCCN(C3)C(=O)C=C)n2)c1
COc1ccc(Nc2ncc(F)c(OC3CCCN(C3)C(=O)C=C)n2)cn1
Fc1cnc(Nc2ccc3NC(=O)Cc3c2)nc1Nc1cccc(NC(=O)C=C)c1
CC(C)(C)OC(=O)NCCCOc1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
Fc1cnc(Nc2cccc(OCCN3CCCC3=O)c2)nc1Nc1cccc(NC(=O)C=C)c1
CC(=C)C(=O)c1ccc(Nc2nc(Nc3ccccc3)ncc2F)cc1
COc1ccc(Nc2ncc(C)c(Oc3cccc(NC(=O)C=C)c3)n2)cn1
COc1ccc(Nc2ncc(C(C)=O)c(NC3CN(C3)C(=O)C=C)n2)cn1
COc1ccc(Nc2ncc(C(C)=O)c(Oc3cccc(NC(=O)C=C)c3)n2)cn1
COc1ccc(Nc2ncc(C(C)=O)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
COc1cccc(Nc2ncc(F)c(O[C@@H]3CCCN(C3)C(=O)C=C)n2)c1 |r|
COc1ccc(Nc2ncc(OC)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
COc1ccc(Nc2ncc(F)c(O[C@H]3CCCN(C3)C(=O)C=C)n2)cn1 |r|
COc1ccc(Nc2ncc(F)c(Nc3ccc4OCCN(C(=O)C=C)c4c3)n2)cn1
COc1cccc(Nc2ncc(F)c(N[C@@H]3CCCN(C3)C(=O)C=C)n2)c1 |r|
COc1cccc(Nc2ncc(F)c(N[C@H]3CCCN(C3)C(=O)C=C)n2)c1 |r|
COc1ccc(Nc2ncc(F)c(N[C@H]3CCCN(C3)C(=O)C=C)n2)cn1 |r|
CC(C)(C)OC(=O)NCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
CC(=C)C(=O)c1cccc(Nc2nc(Nc3cccc(OC(F)(F)F)c3)ncc2F)c1
COc1cccc(Nc2ncc(C(=O)Nc3ccccc3)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
COc1cccc(Nc2ncc(F)c(NC3CCN(C3)C(=O)C=C)n2)c1
COc1ccc(Nc2ncc(F)c(N[C@@H]3CCCN(C3)C(=O)C=C)n2)cn1 |r|
COc1ccc(Nc2ncc(F)c(NC3CCN(C3)C(=O)C=C)n2)cn1
Fc1cnc(Nc2cccc(OCCCn3ccnc3)c2)nc1Nc1cccc(NC(=O)C=C)c1
Cc1cnc(Nc2ccccc2)nc1Nc1cccc(CNC(=O)C=C)c1
[#6]\[#6](-[#6])=[#6]\[#6](=O)-c1ccc(-[#7]-c2nc(-[#7]-c3ccccc3)ncc2F)cc1
[#6]-[#7](-[#6])-[#6]-[#6]-[#8]-c1cccc(-[#7]-c2ncc(F)c(-[#7]-c3cccc(c3)-[#6](=O)\[#6]=[#6](\[#6])-[#6])n2)c1
Fc1cnc(Nc2cccc(OCCCN3CCOCC3)c2)nc1Nc1cccc(NC(=O)C=C)c1
COc1ccc(Nc2ncc(C(N)=O)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
COc1cccc(Nc2ncc(C(N)=O)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
[#6]\[#6](-[#6])=[#6]\[#6](=O)-c1cccc(-[#7]-c2nc(-[#7]-c3cccc(-[#8]-[#6]C#C)c3)ncc2F)c1
Fc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1Oc1ccc(Oc2ccccc2)cc1
[#6]-[#8]-c1cccc(-[#7]-c2ncc(c(-[#7]-[#6@@H]-3-[#6]-[#6]-[#6]-[#6@@H](-[#6]-3)-[#6](=O)\[#6]=[#6](\[#6])-[#6])n2)C(F)(F)F)c1 |r|
COc1cncc(Nc2ncc(c(Nc3ccc(NC(=O)C=C)cc3)n2)C(F)(F)F)c1
Cc1cnc(Nc2cccc(OCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c2)nc1Nc1cccc(NC(=O)C=C)c1 |r|
COc1ccc(Nc2ncc(C(=O)NC(C)(C)C)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
COc1ccc(Nc2ncc(F)c(Oc3cccc(NC(=O)C=C)c3)n2)cn1
COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)cn1
CN(Cc1ccc(Nc2nc(Nc3ccccc3)ncc2C)cc1)C(=O)C=C
CN(Cc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1)C(=O)C=C
C=CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C(=O)NC2CC2)c1
C=CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C(=O)Nc2ccccc2)c1
[#6]\[#6](-[#6])=[#6]\[#6](=O)-c1cccc(-[#7]-c2nc(-[#7]-c3cccc(-[#8]C(F)(F)F)c3)ncc2F)c1
[#6]\[#6](-[#6])=[#6]\[#6](=O)-c1cccc(-[#7]-c2nc(-[#7]-c3cccc(c3)S([#7])(=O)=O)ncc2-[#6])c1
[#6]-[#8]-c1cccc(-[#7]-c2ncc(c(-[#7]-c3cccc(c3)-[#6](=O)\[#6]=[#6](\[#6])-[#6])n2)C(F)(F)F)c1
COc1cccc(Nc2ncc(c(Nc3cccc(CNC(=O)C=C)c3)n2)C(F)(F)F)c1
COc1cccc(Nc2ncc(c(Nc3ccc(Cl)c(NC(=O)C=C)c3)n2)C(F)(F)F)c1
Fc1cnc(Nc2ccccc2)nc1Oc1cccc(NC(=O)C=C)c1
Fc1cnc(Nc2ccccc2)nc1NC1CCN(CC1)C(=O)C=C
NC(=O)c1cnc(Nc2ccccc2)nc1Nc1cccc(NC(=O)C=C)c1
COc1ccc(CNC(=O)c2cnc(Nc3ccccc3)nc2Nc2cccc(NC(=O)C=C)c2)cc1
[#6]\[#6](-[#6])=[#6]\[#6](=O)-c1cccc(-[#7]-c2nc(-[#7]-c3ccccc3)ncc2-[#6])c1
CN(C)CCOc1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
Fc1cnc(Nc2cccnc2)nc1Nc1cccc(NC(=O)C=C)c1
COc1cccc(Nc2ncc(c(Nc3ccc(CNC(=O)C=C)cc3)n2)C(F)(F)F)c1
COc1cccc(Nc2ncc(c(Nc3ccc(NC(=O)C=C)cc3)n2)C(F)(F)F)c1
Cc1cnc(Nc2cccc(OCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c2)nc1Nc1cccc(NC(=O)C=C)c1 |r|
CC(=O)N1CCCC(C1)Nc1ncc(F)c(Nc2cccc(NC(=O)C=C)c2)n1
COc1ccc(CNc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
COc1cccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c1
Fc1cnc(Nc2cccc(OC(F)(F)F)c2)nc1Nc1cccc(NC(=O)C=C)c1
FC(F)(F)c1cnc(Nc2ccccc2)nc1Nc1cccc(NC(=O)C=C)c1
C\C=C\C(=O)OCc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1
Fc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Cc1cnc(Nc2ccccc2)nc1Oc1cccc(NC(=O)C=C)c1
CC(C)(O)COc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1Cl
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1OCCOC
CC(C)(O)COc1ccc(Nc2ncc(F)c(Nc3cccc(c3)C(O)C(=C)C#N)n2)cn1
CC(C)(O)COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
CC(C)(O)COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F
Fc1cnc(Nc2ccc(O[C@@H]3CCOC3)c(F)c2)nc1Nc1cccc(NC(=O)C=C)c1 |r|
CS(=O)(=O)CCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F
COCCOc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1Cl
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(c3)C(=O)C(C)=C)n2)cc1F
[#6]-[#8]-[#6]-[#6]-[#8]-c1ccc(-[#7]-c2ncc(F)c(-[#7]-c3cccc(c3)-[#6](=O)\[#6]=[#6](\[#6])-[#6])n2)cc1F
COCCOc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)C(C)=C)n2)cc1F
[#6]-[#8]-[#6]-[#6]-[#8]-c1ccc(-[#7]-c2ncc(F)c(-[#7]-c3ccc(cc3)-[#6](=O)\[#6]=[#6](\[#6])-[#6])n2)cc1F
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(c3)C(O)C(=C)C#N)n2)cc1F
COCCOc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(O)C(=C)C#N)n2)cc1F
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(CC(=O)C(C)=C)c3)n2)cc1F
COCCOc1ccc(Nc2ncc(F)c(Nc3ccc(CC(=O)C(C)=C)cc3)n2)cc1F
[#6]-[#8]-[#6]-[#6]-[#8]-c1ccc(-[#7]-c2ncc(F)c(-[#7]-c3cccc(-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6])c3)n2)cc1F
[#6]-[#8]-[#6]-[#6]-[#8]-c1ccc(-[#7]-c2ncc(F)c(-[#7]-c3ccc(-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6])cc3)n2)cc1F
CC(C)(CO)Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F
CC(CO)Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F
OCC(O)COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F
OCC(O)COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
CC(C)(CO)Oc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1Cl
CC(CO)Oc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1Cl
Fc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1Nc1ccc(O[C@H]2CCOC2)cc1 |r|
OCC(O)COc1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
Fc1cnc(Nc2ccc(Cl)c(O[C@@H]3CCOC3)c2)nc1Nc1cccc(NC(=O)C=C)c1 |r|
CNC(=O)c1cc(Oc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)ccn1
Fc1cnc(Nc2ccc3OCCN(C(=O)C=C)c3c2)nc1Nc1ccc(OCc2ccccn2)c(Cl)c1
COCCOc1ccc(Nc2ncc(F)c(N[C@@H]3CCCN(C3)C(=O)C=C)n2)cc1F |r|
COCCOc1ccc(Nc2ncc(F)c(N[C@@H]3CCCN(C3)C(=O)C=C)n2)cc1 |r|
Fc1cnc(Nc2ccc(Oc3cccnc3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
Fc1cnc(Nc2ccc(O[C@H]3CCOC3)cc2)nc1N[C@@H]1CCCN(C1)C(=O)C=C |r|
Fc1cnc(Nc2ccc(O[C@@H]3CCOC3)cc2)nc1N[C@@H]1CCCN(C1)C(=O)C=C |r|
Fc1cnc(Nc2ccc3OCCOc3c2)nc1Nc1cccc(NC(=O)C=C)c1
COCCOc1ccc(Nc2ncc(C#N)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F
COCCOc1ccc(Nc2ncc(F)c(Nc3ccc(NC(=O)C=C)cc3)n2)cc1F
COCCOc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)cc1F
OCC(O)COc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1Cl
Fc1cnc(Nc2ccc(Cl)c(O[C@H]3CCOC3)c2)nc1Nc1cccc(NC(=O)C=C)c1 |r|
O[C@H]1CN[C@H](COc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2F)C1 |r|
CC(C)(C)OC(=O)NCCOCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F
C[C@@H](CO)Oc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1Cl |r|
C[C@H](CO)Oc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1Cl |r|
COCCOCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F
CN(C)C\C=C\C(=O)Nc1cccc(Nc2ncc(C)c(Nc3cccc(C)c3)n2)c1
Fc1cnc(Nc2ccc(OCCOCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c(F)c2)nc1Nc1cccc(NC(=O)C=C)c1 |r|
Fc1cnc(Nc2ccc(OCCOCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)nc1Nc1cccc(NC(=O)C=C)c1 |r|
CC(C)[C@H](N)C(=O)OC[C@H](C)Oc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1Cl |r|
CC(C)(C)OC(=O)NCCOCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Fc1cnc(Nc2ccc(OCCOCCN=[N+]=[N-])cc2)nc1Nc1cccc(NC(=O)C=C)c1
C[C@H](CO)Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F |r|
C[C@@H](CO)Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F |r|
CC(C)[C@H](N)C(=O)OC[C@@H](C)Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F |r|
COCCOc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)\C=C\C)c3)n2)ccc1Cl
Fc1cnc(Nc2ccc(OCCN=[N+]=[N-])cc2)nc1Nc1cccc(NC(=O)C=C)c1
CC(C)[C@H](N)C(=O)OC[C@H](C)Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F |r|
[#6]-[#8]-[#6]-[#6]-[#8]-c1ccc(-[#7]-c2ncc(F)c(-[#7]-c3ccc(-[#6]-[#6](=O)\[#6]=[#6]-4\[#6]-[#6]-[#6]-4)cc3)n2)cc1F
Fc1cnc(Nc2ccc(OCCOCCOCCN=[N+]=[N-])cc2)nc1Nc1cccc(NC(=O)C=C)c1
COCCOc1ccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)ncc2F)cc1
Fc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1Nc1cccc(OCCN2CCOCC2)c1
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cncc(c4)-c4cnoc4)c3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cncc(c4)-c4cnn(C)c4)c3)cc2C(F)(F)F)CC1
CC#CC(=O)NC1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
Cc1[nH]c2c(cc(F)c(N3CCC(CC3)NS(=O)(=O)C=C)c2c1C)C(N)=O
Cc1[nH]c2c(cc(F)c(-c3ccnc(C(=O)C=C)c3F)c2c1C)C(N)=O |(-5.29,1.93,;-3.75,1.93,;-2.84,3.17,;-1.38,2.69,;-.05,3.47,;1.29,2.69,;1.29,1.15,;2.62,.38,;-.05,.38,;-.05,-1.15,;-1.38,-1.93,;-1.38,-3.47,;-.05,-4.23,;1.29,-3.47,;2.62,-4.23,;2.62,-5.78,;3.96,-3.47,;5.29,-4.23,;1.29,-1.93,;2.62,-1.15,;-1.38,1.15,;-2.84,.68,;-3.71,-.81,;-.05,5,;1.29,5.78,;-1.38,5.78,)|
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)C=C)ncn4)c3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5cnn(C)c5)ncn4)c3)cc2C(F)(F)F)CC1
Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cnn(Cc2ccc(CN3C[C@H]4C[C@H]4C3=O)cc2)c1 |r|
Nc1ccc2C(CCc2n1)NC(=O)c1cnn(Cc2ccc(cc2)N2CCN3CCCC3C2)c1
Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cnn(Cc2ccc(CN3C[C@@H]4C[C@@H]4C3=O)cc2)c1 |r|
Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(CN3CC4CC4C3=O)cc2)nc1C(F)(F)F
Nc1nccc2C(CCc12)NC(=O)c1cnn(Cc2ccc(CN3CC4CC4C3=O)cc2)c1
Nc1cc2C(CCc2cn1)NC(=O)c1cnn(Cc2ccc(CN3CC4CC4C3=O)cc2)c1
Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cn(Cc2ccc(CN3C[C@H]4C[C@H]4C3=O)cc2)nc1C(F)(F)F |r|
Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cn(Cc2ccc(CN3C[C@@H]4C[C@@H]4C3=O)cc2)nc1C(F)(F)F |r|
Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(cc2)N2CCN3CCCCC3C2=O)nn1
Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(Cn3cc4COCCc4n3)cc2)nn1
Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(CN3CCN4C(CCCC4=O)C3)cc2)nn1
Nc1nccc2CCC(NC(=O)c3cn(Cc4ccc(cc4)N4CCN5CCCCC5C4=O)nn3)c12
Nc1cc2CCC(NC(=O)c3cn(Cc4ccc(cc4)N4CCN5CCCCC5C4=O)nn3)c2cn1
Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(CN3CCN4CCCC4C3=O)cc2)nn1
Nc1ccc2C(CCc2n1)NC(=O)c1cnn(Cc2ccc(CN3CC4CC4C3=O)cc2)c1
Cc1nn(Cc2ccc(CN3CC4CC4C3=O)cc2)cc1C(=O)NC1CCc2nc(N)ccc12
Cc1cc(N)nc2CCC(NC(=O)c3cnn(Cc4ccc(CN5CC6CC6C5=O)cc4)c3)c12
Cc1cc(Cn2cc(nn2)C(=O)NC2CCc3nc(N)ccc23)ccc1N1CCN2CCCCC2C1=O
Cc1cc(N)nc2CCC(NC(=O)c3cn(Cc4ccc(cc4)N4CCN5CCCCC5C4=O)nn3)c12
Nc1nccc2[C@@H](CCc12)NC(=O)C1=CN(Cc2ccc(CN3CC4CCCN4C3=O)cc2)NN1C(F)(F)F |r,t:15|
Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cnn(Cc2ccc(CN3CC4CC4C3=O)c(c2)C(F)(F)F)c1 |r|
Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(CN3CC4CC4CC3=O)cc2)c1 |r|
Nc1cc(c2C(CCc2n1)NC(=O)c1cnn(Cc2ccc(CN3CC4CC4C3=O)cc2)c1)C(F)(F)F
Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(cc2)-n2cc3COCCc3n2)nn1
Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(cc2)C2CC3CCCN3C2=O)nn1
Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cn(Cc2ccc(nc2)N2CC3CC3C2)nn1 |r|
Nc1nccc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2)N2CC3CC3C2)nn1 |r|
Nc1nccc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2)N2CC3CCCN3C(=O)C2)nn1 |r|
Nc1nccc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2)N2CCN3C(COCC3=O)C2)nn1 |r|
Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C(F)(F)F)N2CC3CC3C2)c1 |r|
Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cnn(Cc2ccc(nc2C(F)(F)F)N2CC3CC3C2)c1 |r|
Nc1nccc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C(F)(F)F)N2CC3CC3C2)nn1 |r|
Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cn(Cc2ccc(nc2C(F)(F)F)N2CC3CC3C2)nn1 |r|
Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cnn(Cc2cnc(cc2C(F)(F)F)N2CC3CC3C2)c1 |r|
Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2cnc(cc2C(F)(F)F)N2CC3CC3C2)c1 |r|
Nc1nccc2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(cc2C(F)(F)F)N2CC3CC3C2)nn1 |r|
Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cn(Cc2cnc(cc2C(F)(F)F)N2CC3CC3C2)nn1 |r|
Cc1cc(ncc1Cn1cc(cn1)C(=O)N[C@@H]1CCc2nc(N)ccc12)N1CC2CC2C1 |r|
Cc1cc(ncc1Cn1cc(cn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1CC2CC2C1 |r|
Cc1cc(ncc1Cn1cc(nn1)C(=O)N[C@@H]1CCc2nc(N)ccc12)N1CC2CC2C1 |r|
Cc1cc(ncc1Cn1cc(nn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1CC2CC2C1 |r|
Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cnn(Cc2ccc(cc2)N2CC3C[C@@H]3C2=O)c1 |r|
Nc1nccc2C(CCc12)NC(=O)c1cn(Cc2ccc(CN3C[C@@H]4C[C@@H]4C3=O)cc2)nc1C(F)(F)F |r|
Nc1nccc2C(CCc12)NC(=O)c1cn(Cc2ccc(CN3C[C@H]4C[C@@H]4C3=O)cc2)nc1C(F)(F)F |r|
Nc1nccc2C(CCc12)NC(=O)c1cnn(Cc2ccc(CN3C[C@@H]4C[C@@H]4C3=O)c(c2)C(F)(F)F)c1 |r|
Nc1nccc2C(CCc12)NC(=O)c1cnn(Cc2ccc(CN3C[C@H]4C[C@@H]4C3=O)c(c2)C(F)(F)F)c1 |r|
Nc1nccc2C(CCc12)NC(=O)c1cnn(Cc2ccc(CN3C[C@@H]4C[C@@H]4C3=O)cc2)c1 |r|
Nc1nccc2C(CCc12)NC(=O)c1cnn(Cc2ccc(CN3C[C@H]4C[C@@H]4C3=O)cc2)c1 |r|
Cc1cc(Cn2cc(nn2)C(=O)N[C@@H]2CCc3c2ccnc3N)ccc1N1CCN2CCCCC2C1=O |r|
Cc1cc(Cn2cc(nn2)C(=O)N[C@H]2CCc3c2ccnc3N)ccc1N1CCN2CCCCC2C1=O |r|
Cc1cc(Cn2cc(nn2)C(=O)N[C@@H]2CCc3c2ccnc3N)ccc1N1CCN2CCCC2C1=O |r|
Cc1cc(Cn2cc(nn2)C(=O)N[C@H]2CCc3c2ccnc3N)ccc1N1CCN2CCCC2C1=O |r|
Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(CN3CC4CC4C3)cc2)nn1
Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(CN3CC4CCCN4C3=O)cc2)nn1
Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(CN3CC4CC4C3=O)cc2)nn1
Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(cc2)N2CC3CCCN3C2=O)nn1
Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(CN3CCC4(CC4)C3=O)cc2)nn1
Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(cc2)N2CC3CC3C2=O)nn1
Cc1cc(Cn2cc(cn2)C(=O)N[C@@H]2CCc3nc(N)ccc23)ccc1CN1CC2CC2C1=O |r|
Cc1cc(Cn2cc(cn2)C(=O)N[C@@H]2CCc3nc(N)ccc23)ccc1N1C[C@@H]2C[C@@H]2C1=O |r|
Cc1cc(Cn2cc(cn2)C(=O)N[C@@H]2CCc3nc(N)ccc23)ccc1N1C[C@H]2C[C@@H]2C1=O |r|
Cc1cc(CN2CC3CC3C2=O)ccc1Cn1cc(cn1)C(=O)N[C@@H]1CCc2nc(N)ccc12 |r|
Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2cccc(c2)N2CCN3CCCCC3C2=O)nn1
CC(c1ccc(nc1)N1CC2CC2C1)n1cc(cn1)C(=O)N[C@@H]1CCc2c1ccnc2N |r|
CC(c1ccc(nc1)N1C[C@@H]2C[C@@H]2C1)n1cc(cn1)C(=O)N[C@@H]1CCc2c1ccnc2N |r|
CC(c1ccc(nc1)N1C[C@H]2C[C@@H]2C1)n1cc(cn1)C(=O)N[C@@H]1CCc2c1ccnc2N |r|
Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(c1)C1(CC1)c1ccc(nc1)N1CC2CC2C1 |r|
Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2)N2CC3CC3C2)c1 |r|
Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cnn(Cc2ccc(nc2)N2CC3CC3C2)c1 |r|
Nc1nccc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2)N2CC3CC3C2)nc1C(F)(F)F |r|
Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cn(Cc2ccc(nc2)N2CC3CC3C2)nc1C(F)(F)F |r|
Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2)N2CC3CCC3C2)c1 |r|
Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2cnc(nc2)N2CC3CC3C2)c1 |r|
Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cnn(Cc2cnc(nc2)N2CC3CC3C2)c1 |r|
Nc1nccc2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(nc2)N2CC3CC3C2)nn1 |r|
Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cn(Cc2cnc(nc2)N2CC3CC3C2)nn1 |r|
Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2)N2CC3C(C2)C3(F)F)c1 |r|
Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2cnc(cn2)N2CC3CC3C2)c1 |r|
Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cnn(Cc2cnc(cn2)N2CC3CC3C2)c1 |r|
Cc1cc(N)nc2CCC(NC(=O)c3cn(Cc4ccc(cc4)N4CC5COCCN5C4=O)nn3)c12
Nc1nccc2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(nc2)N2CC3CC3C2)nc1C(F)(F)F |r|
Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2)N2CCC3(CC3)C2)c1 |r|
Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2)N2CC3(COC3)C2)c1 |r|
Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2)N2C[C@H]3[C@H](CO)[C@H]3C2)c1 |r|
Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cn(Cc2cnc(nc2)N2CC3CC3C2)nc1C(F)(F)F |r|
CCOc1cccc(Oc2ccc(cc2)C(O)c2cncc(F)c2Cl)c1F
COc1cccc(Oc2ccc(cc2)C(=O)c2cncc(F)c2Cl)c1F
COc1cccc(Oc2ccc(cc2)-c2n[nH]c3c(F)cncc23)c1F
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)OC(C)(C)C)c3c(F)cncc23)c1F
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)OC(C)(C)C)c3c(OC)cncc23)c1F
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCNC3)c3c(OC)cncc23)c1F
C=CC(=O)N1CC[C@H](C1)n1nc(-c2ccc(Oc3cccc4ccccc34)cc2)c2cnccc12 |r|
C=CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc4OCOc34)cc2)c2cnccc12 |r|
Clc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ccncc23)c1 |r|
Cc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ccncc23)c1 |r|
Clc1cc(ccc1Oc1ccccc1)-c1nn([C@@H]2CCN(C2)C(=O)C=C)c2ccncc12 |r|
Cc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ccncc23)c1C |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ccncc23)c1Cl |r|
Cc1c(F)cccc1Oc1ccc(cc1)-c1nn([C@@H]2CCN(C2)C(=O)C=C)c2ccncc12 |r|
C=CC(=O)N1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2cnccc12
Cc1c(F)cccc1Oc1ccc(cc1)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ccncc12 |r|
Fc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ccncc23)c1F |r|
Fc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ccncc23)c1F |r|
Fc1c(Cl)cccc1Oc1ccc(cc1)-c1nn([C@@H]2CCN(C2)C(=O)C=C)c2ccncc12 |r|
Fc1c(Cl)cccc1Oc1ccc(cc1)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ccncc12 |r|
C=CC(=O)N1CCC(Cn2nc(-c3ccc(Oc4ccccc4)cc3)c3cnccc23)C1
C=CC(=O)Nc1cccc(c1)-n1nc(-c2ccc(Oc3ccccc3)cc2)c2cnccc12
CC(C)Oc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ccncc23)c1 |r|
Cc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ccncc23)c1C |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C#CC)c3ccncc23)c1Cl |r|
COc1cccc(Oc2ccc(cc2)-c2nn(C3CC4(C3)CN(C4)C(=O)C=C)c3ccncc23)c1F
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c3c(Cl)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c3c(cncc23)C#N)c1F |r|
C=CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(OC3CCCCC3)cc2)c2cnccc12 |r|
COc1cccc(Oc2ccc(cc2)-c2nn(C3CC4(C3)CN(C4)C(=O)C=C)c3ccncc23)c1Cl
C=CC(=O)N1CC[C@H](C1)n1nc(-c2ccc(Oc3cccc4CCCc34)cc2)c2cnccc12 |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@H]3CCN(C3)C(=O)C=C)c3ccncc23)c1F |r|
C=CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2cnccc12 |r|
Clc1cccc(Sc2ccc(cc2)-c2nn(C3CCN(C3)C(=O)C=C)c3ccncc23)c1
Clc1cc(ccc1Oc1ccccc1)-c1nn(C2CCCN(C2)C(=O)C=C)c2ccncc12
Clc1cccc(Oc2ccc(cc2)-c2nn(C3CCN(C3)C(=O)C=C)c3ccncc23)c1
Cc1cccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C(=O)C=C)c3ccncc23)c1
Fc1cccc(Oc2ccc(cc2)-c2n(nc3ccncc23)C2CCN(C2)C(=O)C=C)c1Cl
Fc1cccc(Oc2ccc(cc2)-c2n(nc3ccncc23)C2CCCN(C2)C(=O)C=C)c1Cl
Fc1cccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C(=O)C=C)c3ccncc23)c1Cl
Clc1cccc(Oc2ccc(cc2)-c2n(nc3ccncc23)C2CCN(C2)C(=O)C=C)c1Cl
Clc1cccc(Oc2ccc(cc2)-c2nn(C3CCN(C3)C(=O)C=C)c3ccncc23)c1Cl
Clc1cccc(Oc2ccc(cc2)-c2n(nc3ccncc23)C2CCCN(C2)C(=O)C=C)c1Cl
Clc1cccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C(=O)C=C)c3ccncc23)c1Cl
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c3CCN(Cc23)C(C)=O)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c3CCN(Cc23)C(=O)C=C)c1F |r|
Cc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ccncc23)c1F |r|
Cc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ccncc23)c1F |r|
COc1c(F)cccc1Oc1ccc(cc1)-c1nn([C@@H]2CCN(C2)C(=O)C=C)c2ccncc12 |r|
COc1c(F)cccc1Oc1ccc(cc1)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ccncc12 |r|
Fc1cc(ccc1Oc1ccccc1)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ccncc12 |r|
C=CC(=O)N1CC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2cnccc12
C=CC(=O)N1CCCC(Cn2nc(-c3ccc(Oc4ccccc4)cc3)c3cnccc23)C1
Nc1cccc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1cccc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Cc1c(Cl)cccc1Oc1ccc(cc1)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ccncc12 |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ccncc23)c1C |r|
Fc1cccc(Sc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ccncc23)c1 |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ccncc23)c1C |r|
Cc1c(Cl)cccc1Oc1ccc(cc1)-c1nn([C@@H]2CCN(C2)C(=O)C=C)c2ccncc12 |r|
Fc1cc(ccc1Oc1ccccc1)-c1nn([C@@H]2CCN(C2)C(=O)C=C)c2ccncc12 |r|
Fc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ccncc23)c1 |r|
Fc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ccncc23)c1 |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ccncc23)c1 |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ccncc23)c1 |r|
Fc1cncc2c(nn([C@@H]3CCN(C3)C(=O)C=C)c12)-c1ccc(Oc2ccccc2)cc1 |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c3c(cncc23)C(F)F)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c3c(F)cncc23)c1Cl |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c3c(OC)cncc23)c1Cl |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3c(F)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ccncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3c(cncc23)C(F)F)c1F |r|
CCOc1cncc2c(nn([C@@H]3CCCN(C3)C(=O)C=C)c12)-c1ccc(Oc2cccc(OC)c2F)cc1 |r|
COc1cccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C(=O)C3CC4(C3)CN(C4)S(=O)(=O)c3ccc(C)cc3)c3c(OC)cncc23)c1F
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3c(OC)cncc23)c1Cl |r|
CCCCOc1cncc2c(nn([C@@H]3CCCN(C3)C(=O)C=C)c12)-c1ccc(Oc2cccc(OC)c2F)cc1 |r|
CCCOc1cncc2c(nn([C@@H]3CCCN(C3)C(=O)C=C)c12)-c1ccc(Oc2cccc(OC)c2F)cc1 |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ccnc(C)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c3c(OC)cncc23)c1F |r|
CCOc1cncc2c(nn([C@@H]3CCN(C3)C(=O)C=C)c12)-c1ccc(Oc2cccc(OC)c2F)cc1 |r|
CCOc1cncc2c(nn([C@@H]3CCCN(C3)C(=O)C=C)c12)-c1ccc(Oc2cccc(OC)c2Cl)cc1 |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3c(O)cncc23)c1F |r|
CCCOc1cncc2c(nn([C@@H]3CCCN(C3)C(=O)C=C)c12)-c1ccc(Oc2cccc(OC)c2Cl)cc1 |r|
CCCCOc1cncc2c(nn([C@@H]3CCCN(C3)C(=O)C=C)c12)-c1ccc(Oc2cccc(OC)c2Cl)cc1 |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3c(OC(C)C)cncc23)c1Cl |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3c(OC4CCOC4)cncc23)c1Cl |r|
COc1cccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C(=O)C=C)c3c(OCCN)cncc23)c1F
CCCOc1cncc2c(nn(C3CCCN(C3)C(=O)C=C)c12)-c1ccc(Oc2cccc(OC)c2OCCC)cc1
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3c(OC)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C(=C\C(C)(C)C)\C#N)c3c(OC)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nn(CC3CCCN3C(=O)C=C)c3c(OC)cncc23)c1F
COc1cccc(Oc2ccc(cc2)-c2nn(CC3CCCN3C(=O)C(=C\C(C)(C)C)\C#N)c3c(OC)cncc23)c1F
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3c(OCCN(C)C)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C#CC)c3c(OCCN(C)C)cncc23)c1F |r|
C=CC(=O)N1CCCC(C1)n1nc(-c2ccc(cc2)C(=C)c2ccccc2)c2cnccc12
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3c(OC(C)C)cncc23)c1F |r|
CCOc1cncc2c(nn([C@@H]3CCN(C3)C(=O)C=C)c12)-c1ccc(Oc2cccc(OC)c2Cl)cc1 |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3c(OCCO)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3c(OC4CCOC4)cncc23)c1F |r|
CC(C)(C)OC(=O)N1CC[C@H](C1)n1nc(-c2ccc(OCc3ccccc3F)cc2)c2cnccc12 |r|
Fc1ccccc1COc1ccc(cc1)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ccncc12 |r|
C=CC(=O)N1CCCC(C1)n1nc(-c2ccc(COc3ccccc3)cc2)c2cnccc12
COc1cccc(CNC(=O)c2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ccncc23)c1
COc1cccc(CNC(=O)c2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ccncc23)c1 |r|
CC#CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2cnccc12 |r|
Cc1cccc(c1)-c1ccc(cc1)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ccncc12
Cc1cccc(c1)-c1ccc(cc1)-c1nn([C@@H]2CCN(C2)C(=O)C=C)c2ccncc12 |r|
Cc1cccc(c1)-c1ccc(cc1)-c1n(nc2ccncc12)[C@@H]1CCN(C1)C(=O)C=C |r|
CN1CCN(CC1)c1ccc(cc1)-c1nn(C2CCCN(C2)C(=O)C=C)c2ccncc12
C=CC(=O)N1CCCC(C1)n1nc(-c2ccc(cc2)N2CCC(CC2)N2CCCCC2)c2cnccc12
CN1CCN(CC1)c1ccc(cc1F)-c1nn(C2CCCN(C2)C(=O)C=C)c2ccncc12
CN1CCN(CC1)c1ccc(cc1)-c1nn(C2CCN(C2)C(=O)C=C)c2ccncc12
CN(C)c1cc(ccc1-c1nn(C2CCCN(C2)C(=O)C=C)c2ccncc12)N1CCN(C)CC1
CN1CCN(CC1)c1ccc(Nc2nn(C3CCCN(C3)C(=O)C=C)c3ccncc23)cc1
CS(=O)(=O)N1CCN(CC1)c1ccc(cc1)-c1nn(C2CCCN(C2)C(=O)C=C)c2ccncc12
FC(F)(F)c1cccc(c1)C(=O)Nc1ccc(cc1)-c1nn(C2CCN(C2)C(=O)C=C)c2ccncc12
FC(F)(F)c1cccc(c1)C(=O)Nc1ccc(cc1)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ccncc12 |r|
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C(C)O)c3c(OC)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C(=O)C(O)=O)c3c(OC)cncc23)c1F
COc1cccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C(=O)C(N)=O)c3c(OC)cncc23)c1F
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(O)=O)c3c(OC)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nn(C3CCC(CC3)C(O)=O)c3c(OC)cncc23)c1F |(-.35,10.86,;.74,9.77,;.34,8.29,;-1.15,7.89,;-1.55,6.4,;-.46,5.31,;1.03,5.71,;2.12,4.62,;1.72,3.13,;2.81,2.04,;2.41,.56,;.92,.16,;-.17,1.25,;.23,2.73,;.53,-1.33,;1.43,-2.58,;.53,-3.82,;.92,-5.31,;-.17,-6.4,;.23,-7.89,;1.72,-8.29,;2.81,-7.2,;2.41,-5.71,;2.12,-9.77,;1.03,-10.86,;3.61,-10.17,;-.94,-3.35,;-2.27,-4.12,;-2.27,-5.66,;-.94,-6.43,;-3.61,-3.35,;-3.61,-1.81,;-2.27,-1.04,;-.94,-1.81,;1.43,7.2,;2.92,7.59,)|
OC(=O)C1CCC(CC1)n1nc(-c2ccc(NC(=O)c3ccccc3)cc2)c2cnccc12 |(1.77,-7.99,;.29,-7.59,;-.8,-8.68,;-.11,-6.11,;-1.6,-5.71,;-2,-4.22,;-.91,-3.13,;.58,-3.53,;.98,-5.02,;-1.31,-1.64,;-.4,-.4,;-1.31,.85,;-.91,2.33,;.58,2.73,;.98,4.22,;-.11,5.31,;.29,6.8,;1.77,7.2,;2.17,8.68,;2.86,6.11,;2.46,4.62,;3.55,3.53,;5.04,3.93,;5.44,5.42,;4.35,6.51,;-1.6,4.91,;-2,3.42,;-2.77,.37,;-4.11,1.14,;-5.44,.37,;-5.44,-1.17,;-4.11,-1.94,;-2.77,-1.17,)|
OC(=O)C1CCC(CC1)n1nc(-c2ccc(cc2)-c2ccccc2)c2cnccc12 |(.83,-9.23,;1.92,-8.14,;3.41,-8.54,;1.52,-6.65,;.03,-6.25,;-.36,-4.77,;.72,-3.68,;2.21,-4.08,;2.61,-5.56,;.33,-2.19,;1.23,-.94,;.33,.3,;.72,1.79,;2.21,2.19,;2.61,3.68,;1.52,4.77,;.03,4.37,;-.36,2.88,;1.92,6.25,;3.41,6.65,;3.81,8.14,;2.72,9.23,;1.23,8.83,;.83,7.34,;-1.14,-.17,;-2.47,.6,;-3.81,-.17,;-3.81,-1.71,;-2.47,-2.48,;-1.14,-1.71,)|
C\C=C\C(=O)N(C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3C[C@](C)(CO)CCc3c12 |r,wU:24.26,wD:24.25,(2.69,-1.61,;1.6,-2.7,;1.6,-4.24,;2.93,-5.01,;4.26,-4.24,;4.26,-2.7,;5.6,-5,;6.93,-4.23,;.26,-5.01,;-1.07,-4.24,;-1.07,-2.7,;.26,-1.93,;.26,-.39,;1.6,.38,;2.93,-.38,;1.6,1.92,;.26,2.69,;.26,4.23,;1.6,5.01,;-1.07,5,;-1.07,1.92,;-2.53,2.4,;-3.44,1.15,;-4.97,.99,;-5.6,-.41,;-6.93,.36,;-6.69,-1.5,;-6.29,-2.99,;-4.69,-1.66,;-3.16,-1.5,;-2.53,-.09,;-1.07,.38,)|
Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3C[C@@](C)(CO)CCc3c12 |r,wU:24.25,wD:24.26,(2.69,-1.61,;1.6,-2.7,;1.6,-4.24,;2.93,-5.01,;4.26,-4.24,;4.26,-2.7,;5.6,-5,;6.93,-4.23,;.26,-5.01,;-1.07,-4.24,;-1.07,-2.7,;.26,-1.93,;.26,-.39,;1.6,.38,;2.93,-.38,;1.6,1.92,;.26,2.69,;.26,4.23,;1.6,5.01,;-1.07,5,;-1.07,1.92,;-2.53,2.4,;-3.44,1.15,;-4.97,.99,;-5.6,-.41,;-6.93,.36,;-6.69,-1.5,;-6.29,-2.99,;-4.69,-1.66,;-3.16,-1.5,;-2.53,-.09,;-1.07,.38,)|
NC(=O)c1ccc(N[C@@H]2CCN(C2)C(=O)C=C)c2c3CCC(Cc3[nH]c12)C(F)(F)F |r|
CN(CCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)CC1CCc2c(C1)[nH]c1c(ccc(Cc3ccc(NC(=O)C=C)c(C)c3)c21)C(N)=O |r|
NC(=O)c1cc(F)c([C@H]2CCN(C2)C(=O)C=C)c2c3ccccc3[nH]c12 |r|
NC(=O)c1cc(F)c([C@@H]2CCN(C2)C(=O)C=C)c2c3ccccc3[nH]c12 |r|
CC#CC(=O)N1CCC[C@@H]2CN(C[C@H]12)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 |r|
NC(=O)c1cc(F)c(N2C[C@@H]3CCCN([C@@H]3C2)C(=O)C=C)c2c3ccccc3[nH]c12 |r|
NC(=O)c1cc(F)c(N2C[C@H]3CCCN([C@H]3C2)C(=O)C=C)c2c3ccccc3[nH]c12 |r|
NC(=O)c1cc(F)c(N2C[C@@H]3CCN([C@@H]3C2)C(=O)C=C)c2c3ccccc3[nH]c12 |r|
NC(=O)c1cc(F)c(N2C[C@H]3CCN([C@H]3C2)C(=O)C=C)c2c3ccccc3[nH]c12 |r|
CC#CC(=O)N1CCCC2CN(CC12)c1c(Cl)cc(C(N)=O)c2[nH]c3ccccc3c12
CC#CC(=O)N1CCC[C@H]2CN(C[C@@H]12)c1c(Cl)cc(C(N)=O)c2[nH]c3ccccc3c12 |r|
CC#CC(=O)N[C@@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O |r|
CC(C)(O)[C@@H]1CCc2c(C1)[nH]c1c(cc(F)c(-c3cccc(C=C)n3)c21)C(N)=O |r|
C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)nc3)c12)C1CCCN(C1)C(=O)C(Br)=C
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(F)c4)nc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C(Br)=C
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4F)nc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccc(Cl)cc4)nc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccc(F)c(F)c4)nc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)cccc4F)nc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(F)c4F)nc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Cc1ccc(Oc2ccc(cn2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1 |r|
COc1ccc(Oc2ccc(cn2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccc(cc4)C(F)(F)F)nc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3cnc(Oc4ccccc4)cc3F)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3cnc(Oc4ccccc4)c(F)c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Cc1cc(Oc2ccccc2)ncc1-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
Cc1nc(Oc2ccccc2)ccc1-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)nc3F)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(F)c4F)nc3F)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3cnc(Oc4ccccc4)nc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cn3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
CC\C=C/C(=O)N1CC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)nc2)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)nc3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4F)nc3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)cccc4F)nc3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)nc3F)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccc(F)cc4)nc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(F)c4F)nc3F)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)nc2)c2c(N)ncnc12 |r|
C[C@H](NCc1ccc2n(C3CC4(C3)CN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r,wU:11.13,9.8,wD:1.0,(29.61,-4,;29.61,-5.54,;30.95,-6.31,;32.28,-5.54,;33.61,-6.31,;33.61,-7.85,;34.94,-8.62,;36.29,-7.85,;37.76,-8.32,;38.24,-9.78,;39.62,-10.47,;38.92,-11.85,;37.55,-11.16,;40.43,-12.18,;40.58,-13.71,;39.17,-14.33,;38.15,-13.18,;38.84,-15.84,;39.98,-16.87,;37.37,-16.31,;37.05,-17.81,;38.67,-7.06,;40.21,-7.05,;40.97,-5.72,;40.19,-4.39,;42.5,-5.7,;43.4,-4.45,;44.87,-4.92,;44.88,-6.46,;43.42,-6.94,;46.13,-7.36,;45.98,-8.89,;47.53,-6.72,;37.75,-5.81,;36.28,-6.3,;34.94,-5.54,;28.28,-6.31,;26.94,-5.54,;28.28,-7.85,;26.93,-7.07,)|
C[C@H](NCc1ccc2n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r,wU:9.8,wD:1.0,11.11,(-7.58,6.89,;-7.58,5.35,;-6.25,4.58,;-4.92,5.35,;-3.58,4.58,;-3.58,3.04,;-2.25,2.27,;-.92,3.04,;.55,2.57,;.95,1.08,;2.28,.31,;1.51,-1.03,;.18,-.26,;2.98,-1.5,;2.98,-3.04,;1.51,-3.52,;.61,-2.27,;1.11,-5.01,;2.2,-6.09,;-.37,-5.4,;-.77,-6.89,;1.45,3.81,;2.99,3.81,;3.76,5.14,;2.99,6.48,;5.3,5.14,;6.21,6.39,;7.67,5.91,;7.67,4.37,;6.21,3.9,;8.76,3.29,;10.25,3.68,;8.36,1.8,;.55,5.06,;-.92,4.58,;-2.25,5.35,;-8.92,4.58,;-10.25,5.35,;-8.92,3.04,;-10.25,3.81,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1)C(C)(C)C |r,wU:11.13,9.8,wD:1.0,(5.27,-4.41,;5.27,-5.95,;6.6,-6.72,;7.93,-5.95,;9.27,-6.72,;9.27,-8.26,;10.6,-9.03,;11.94,-8.26,;13.42,-8.73,;13.9,-10.19,;15.27,-10.88,;14.58,-12.26,;13.21,-11.57,;16.08,-12.59,;16.24,-14.13,;14.83,-14.75,;13.8,-13.59,;14.5,-16.25,;15.64,-17.29,;13.03,-16.72,;12.7,-18.22,;14.32,-7.47,;15.86,-7.47,;16.63,-6.13,;15.85,-4.8,;18.16,-6.12,;19.06,-4.86,;20.53,-5.33,;20.53,-6.87,;19.07,-7.36,;21.78,-7.77,;23.25,-7.28,;24.16,-8.52,;23.26,-9.78,;21.79,-9.31,;13.4,-6.23,;11.93,-6.71,;10.6,-5.95,;3.93,-6.72,;2.6,-5.95,;3.93,-8.26,;2.59,-7.48,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3cnco3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-6.3,6.89,;-6.3,5.35,;-4.96,4.58,;-3.63,5.35,;-2.29,4.58,;-2.29,3.04,;-.96,2.27,;.37,3.04,;1.84,2.57,;2.24,1.08,;3.57,.31,;2.8,-1.03,;1.47,-.26,;4.26,-1.5,;4.26,-3.04,;2.8,-3.52,;1.89,-2.27,;2.4,-5.01,;3.49,-6.09,;.91,-5.4,;.52,-6.89,;2.74,3.81,;4.28,3.81,;5.05,5.14,;4.28,6.48,;6.59,5.14,;7.5,6.39,;8.96,5.91,;8.96,4.37,;7.5,3.9,;1.84,5.06,;.37,4.58,;-.96,5.35,;-7.63,4.58,;-8.96,5.35,;-6.86,3.25,;-8.4,3.25,)|
CC(C)c1ncc(s1)C(=O)Nc1nc2cc(CN[C@@H](C)C(C)(C)C)ccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:28.30,30.33,wD:18.19,(10.3,4.37,;8.96,3.6,;8.96,2.06,;7.63,4.37,;7.63,5.91,;6.16,6.39,;5.26,5.14,;6.16,3.9,;3.72,5.14,;2.95,6.48,;2.95,3.81,;1.41,3.81,;.5,5.06,;-.96,4.58,;-2.29,5.35,;-3.63,4.58,;-4.96,5.35,;-6.3,4.58,;-7.63,5.35,;-7.63,6.89,;-8.96,4.58,;-10.3,5.35,;-8.19,3.25,;-9.73,3.25,;-3.63,3.04,;-2.29,2.27,;-.96,3.04,;.5,2.57,;.9,1.08,;2.24,.31,;1.47,-1.03,;.13,-.26,;2.93,-1.5,;2.93,-3.04,;1.47,-3.52,;.56,-2.27,;1.07,-5.01,;2.16,-6.09,;-.42,-5.4,;-.82,-6.89,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3cnc(C)s3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-6.96,6.89,;-6.96,5.35,;-5.63,4.58,;-4.29,5.35,;-2.96,4.58,;-2.96,3.04,;-1.63,2.27,;-.29,3.04,;1.17,2.57,;1.57,1.08,;2.9,.31,;2.13,-1.03,;.8,-.26,;3.6,-1.5,;3.6,-3.04,;2.13,-3.52,;1.23,-2.27,;1.73,-5.01,;2.82,-6.09,;.25,-5.4,;-.15,-6.89,;2.08,3.81,;3.62,3.81,;4.39,5.14,;3.62,6.48,;5.93,5.14,;6.83,6.39,;8.3,5.91,;8.3,4.37,;9.63,3.6,;6.83,3.9,;1.17,5.06,;-.29,4.58,;-1.63,5.35,;-8.3,4.58,;-9.63,5.35,;-7.53,3.25,;-9.07,3.25,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3cncs3)nc2c1)C(C)(C)C |r,wU:11.13,9.8,wD:1.0,(7.15,-27.46,;7.15,-29,;8.48,-29.76,;9.82,-28.99,;11.15,-29.76,;11.15,-31.31,;12.48,-32.08,;13.82,-31.31,;15.3,-31.78,;15.78,-33.24,;17.16,-33.93,;16.46,-35.31,;15.09,-34.61,;17.97,-35.64,;18.12,-37.17,;16.71,-37.79,;15.68,-36.64,;16.38,-39.29,;17.52,-40.33,;14.91,-39.76,;14.58,-41.27,;16.21,-30.52,;17.75,-30.51,;18.51,-29.17,;17.73,-27.84,;20.04,-29.16,;20.94,-27.91,;22.41,-28.38,;22.42,-29.92,;20.95,-30.4,;15.29,-29.27,;13.81,-29.76,;12.48,-28.99,;5.82,-29.77,;4.48,-29,;5.82,-31.31,;4.47,-30.53,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccnn3C)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-6.3,6.89,;-6.3,5.35,;-4.96,4.58,;-3.63,5.35,;-2.29,4.58,;-2.29,3.04,;-.96,2.27,;.37,3.04,;1.84,2.57,;2.24,1.08,;3.57,.31,;2.8,-1.03,;1.47,-.26,;4.26,-1.5,;4.26,-3.04,;2.8,-3.52,;1.89,-2.27,;2.4,-5.01,;3.49,-6.09,;.91,-5.4,;.52,-6.89,;2.74,3.81,;4.28,3.81,;5.05,5.14,;4.28,6.48,;6.59,5.14,;7.5,6.39,;8.96,5.91,;8.96,4.37,;7.5,3.9,;7.1,2.41,;1.84,5.06,;.37,4.58,;-.96,5.35,;-7.63,4.58,;-8.96,5.35,;-6.86,3.25,;-8.4,3.25,)|
FC(F)c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:20.22,22.25,(5.63,2.27,;5.63,3.81,;6.96,4.58,;4.29,4.58,;4.29,6.12,;2.83,6.6,;1.93,5.35,;2.83,4.11,;.39,5.35,;-.38,6.68,;-.38,4.02,;-1.92,4.02,;-2.83,5.26,;-4.29,4.79,;-5.63,5.56,;-6.96,4.79,;-6.96,3.25,;-5.63,2.48,;-4.29,3.25,;-2.83,2.77,;-2.43,1.28,;-1.1,.51,;-1.87,-.82,;-3.2,-.05,;-.4,-1.3,;-.4,-2.84,;-1.87,-3.31,;-2.77,-2.07,;-2.27,-4.8,;-1.18,-5.89,;-3.75,-5.2,;-4.15,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cnco3)nc3ccccc23)C1 |r,wU:7.6,9.11,(34.53,-42.18,;34.86,-40.68,;36.33,-40.21,;37.47,-41.25,;36.66,-38.71,;38.07,-38.09,;37.92,-36.56,;36.41,-36.23,;37.11,-34.85,;35.73,-34.16,;35.04,-35.53,;35.25,-32.7,;36.16,-31.44,;37.7,-31.43,;38.46,-30.09,;37.68,-28.76,;39.99,-30.08,;40.89,-28.83,;42.36,-29.29,;42.37,-30.83,;40.9,-31.32,;43.62,-31.73,;45.08,-31.25,;45.99,-32.49,;45.09,-33.74,;43.63,-33.27,;35.24,-30.19,;33.76,-30.68,;32.43,-29.91,;31.1,-30.68,;31.1,-32.23,;32.43,-33,;33.77,-32.23,;35.63,-37.56,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(cc3)C#N)nc2c1)C(C)(C)C |r,wU:11.13,9.8,wD:1.0,(54.44,-2.43,;54.44,-3.97,;55.77,-4.74,;57.11,-3.97,;58.44,-4.74,;58.44,-6.28,;59.77,-7.05,;61.11,-6.28,;62.59,-6.75,;63.07,-8.21,;64.45,-8.9,;63.75,-10.28,;62.38,-9.59,;65.25,-10.61,;65.41,-12.14,;64,-12.76,;62.97,-11.61,;63.67,-14.27,;64.81,-15.3,;62.2,-14.73,;61.87,-16.24,;63.49,-5.49,;65.03,-5.48,;65.8,-4.14,;65.02,-2.82,;67.33,-4.13,;68.1,-5.46,;69.64,-5.45,;70.39,-4.11,;69.61,-2.78,;68.08,-2.8,;71.93,-4.1,;73.47,-4.08,;62.58,-4.24,;61.1,-4.73,;59.77,-3.97,;53.1,-4.74,;51.77,-3.97,;53.1,-6.28,;51.76,-5.5,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccncc3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-6.65,6.89,;-6.65,5.35,;-5.32,4.58,;-3.98,5.35,;-2.65,4.58,;-2.65,3.04,;-1.32,2.27,;.02,3.04,;1.48,2.57,;1.88,1.08,;3.21,.31,;2.44,-1.03,;1.11,-.26,;3.91,-1.5,;3.91,-3.04,;2.44,-3.52,;1.54,-2.27,;2.05,-5.01,;3.14,-6.09,;.56,-5.4,;.16,-6.89,;2.39,3.81,;3.93,3.81,;4.7,5.14,;3.93,6.48,;6.24,5.14,;7.01,3.81,;8.55,3.81,;9.32,5.14,;8.55,6.48,;7.01,6.48,;1.48,5.06,;.02,4.58,;-1.32,5.35,;-7.98,4.58,;-9.32,5.35,;-7.21,3.25,;-8.75,3.25,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccno3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-6.3,6.89,;-6.3,5.35,;-4.96,4.58,;-3.63,5.35,;-2.29,4.58,;-2.29,3.04,;-.96,2.27,;.37,3.04,;1.84,2.57,;2.24,1.08,;3.57,.31,;2.8,-1.03,;1.47,-.26,;4.26,-1.5,;4.26,-3.04,;2.8,-3.52,;1.89,-2.27,;2.4,-5.01,;3.49,-6.09,;.91,-5.4,;.52,-6.89,;2.74,3.81,;4.28,3.81,;5.05,5.14,;4.28,6.48,;6.59,5.14,;7.5,6.39,;8.96,5.91,;8.96,4.37,;7.5,3.9,;1.84,5.06,;.37,4.58,;-.96,5.35,;-7.63,4.58,;-8.96,5.35,;-6.86,3.25,;-8.4,3.25,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3cccnc3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-6.65,6.89,;-6.65,5.35,;-5.32,4.58,;-3.98,5.35,;-2.65,4.58,;-2.65,3.04,;-1.32,2.27,;.02,3.04,;1.48,2.57,;1.88,1.08,;3.21,.31,;2.44,-1.03,;1.11,-.26,;3.91,-1.5,;3.91,-3.04,;2.44,-3.52,;1.54,-2.27,;2.05,-5.01,;3.14,-6.09,;.56,-5.4,;.16,-6.89,;2.39,3.81,;3.93,3.81,;4.7,5.14,;3.93,6.48,;6.24,5.14,;7.01,3.81,;8.55,3.81,;9.32,5.14,;8.55,6.48,;7.01,6.48,;1.48,5.06,;.02,4.58,;-1.32,5.35,;-7.98,4.58,;-9.32,5.35,;-7.21,3.25,;-8.75,3.25,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3cccc(c3)C#N)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-7.04,6.89,;-7.04,5.35,;-5.7,4.58,;-4.37,5.35,;-3.03,4.58,;-3.03,3.04,;-1.7,2.27,;-.37,3.04,;1.1,2.57,;1.5,1.08,;2.83,.31,;2.06,-1.03,;.73,-.26,;3.52,-1.5,;3.52,-3.04,;2.06,-3.52,;1.15,-2.27,;1.66,-5.01,;2.75,-6.09,;.17,-5.4,;-.22,-6.89,;2,3.81,;3.54,3.81,;4.31,5.14,;3.54,6.48,;5.85,5.14,;6.62,6.48,;8.16,6.48,;8.93,5.14,;8.19,3.76,;6.62,3.81,;8.96,2.43,;9.73,1.1,;1.1,5.06,;-.37,4.58,;-1.7,5.35,;-8.37,4.58,;-9.7,5.35,;-7.6,3.25,;-9.14,3.25,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccnc(C)c3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-6.65,6.43,;-6.65,4.89,;-5.32,4.12,;-3.98,4.89,;-2.65,4.12,;-2.65,2.58,;-1.32,1.81,;.02,2.58,;1.48,2.1,;1.88,.62,;3.21,-.15,;2.44,-1.49,;1.11,-.72,;3.91,-1.96,;3.91,-3.5,;2.44,-3.98,;1.54,-2.73,;2.05,-5.47,;3.14,-6.55,;.56,-5.86,;.16,-7.35,;2.39,3.35,;3.93,3.35,;4.7,4.68,;3.93,6.02,;6.24,4.68,;7.01,3.35,;8.55,3.35,;9.32,4.68,;8.55,6.02,;9.32,7.35,;7.01,6.02,;1.48,4.6,;.02,4.12,;-1.32,4.89,;-7.98,4.12,;-9.32,4.89,;-7.21,2.79,;-8.75,2.79,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccns3)nc2c1)C(C)(C)C |r,wU:11.13,9.8,wD:1.0,(55.89,-27.48,;55.89,-29.02,;57.23,-29.79,;58.56,-29.02,;59.89,-29.79,;59.89,-31.33,;61.23,-32.1,;62.57,-31.33,;64.04,-31.8,;64.52,-33.26,;65.9,-33.95,;65.2,-35.33,;63.83,-34.64,;66.71,-35.66,;66.86,-37.2,;65.45,-37.81,;64.43,-36.66,;65.12,-39.32,;66.26,-40.36,;63.65,-39.79,;63.33,-41.29,;64.95,-30.54,;66.49,-30.53,;67.25,-29.2,;66.47,-27.87,;68.79,-29.18,;69.67,-27.93,;71.14,-28.39,;71.15,-29.92,;69.69,-30.41,;64.03,-29.29,;62.56,-29.78,;61.22,-29.02,;54.56,-29.79,;53.22,-29.02,;54.56,-31.33,;53.21,-30.55,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(C)nc3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-7.42,6.89,;-7.42,5.35,;-6.09,4.58,;-4.75,5.35,;-3.42,4.58,;-3.42,3.04,;-2.09,2.27,;-.75,3.04,;.71,2.57,;1.11,1.08,;2.44,.31,;1.67,-1.03,;.34,-.26,;3.14,-1.5,;3.14,-3.04,;1.67,-3.52,;.77,-2.27,;1.28,-5.01,;2.37,-6.09,;-.21,-5.4,;-.61,-6.89,;1.62,3.81,;3.16,3.81,;3.93,5.14,;3.16,6.48,;5.47,5.14,;6.24,3.81,;7.78,3.81,;8.55,5.14,;10.09,5.14,;7.78,6.48,;6.24,6.48,;.71,5.06,;-.75,4.58,;-2.09,5.35,;-8.75,4.58,;-10.09,5.35,;-7.98,3.25,;-9.52,3.25,)|
FC(F)c1ccc(s1)C(=O)Nc1nc2cc(CN3CCOCC3)ccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:29.35,27.30,(22.81,-7.77,;22.96,-6.23,;24.36,-5.6,;21.71,-5.34,;21.69,-3.81,;20.23,-3.34,;19.34,-4.6,;20.25,-5.82,;17.81,-4.61,;17.03,-3.28,;17.05,-5.95,;15.51,-5.96,;14.59,-4.71,;13.11,-5.2,;11.78,-4.43,;10.45,-5.2,;9.12,-4.43,;7.78,-5.2,;6.44,-4.43,;5.11,-5.19,;5.1,-6.73,;6.44,-7.51,;7.78,-6.74,;10.45,-6.75,;11.78,-7.52,;13.12,-6.75,;14.6,-7.22,;15.08,-8.68,;16.46,-9.37,;15.76,-10.75,;14.39,-10.05,;17.27,-11.08,;17.42,-12.61,;16.01,-13.23,;14.98,-12.08,;15.68,-14.73,;16.82,-15.77,;14.21,-15.2,;13.88,-16.71,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C#C)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-7.63,6.89,;-7.63,5.35,;-6.3,4.58,;-4.96,5.35,;-3.63,4.58,;-3.63,3.04,;-2.29,2.27,;-.96,3.04,;.5,2.57,;.9,1.08,;2.24,.31,;1.47,-1.03,;.13,-.26,;2.93,-1.5,;2.93,-3.04,;1.47,-3.52,;.56,-2.27,;1.07,-5.01,;2.16,-6.09,;-.42,-5.4,;-.82,-6.89,;1.41,3.81,;2.95,3.81,;3.72,5.14,;2.95,6.48,;5.26,5.14,;6.16,6.39,;7.63,5.91,;7.63,4.37,;6.16,3.9,;8.96,3.6,;10.3,2.83,;.5,5.06,;-.96,4.58,;-2.29,5.35,;-8.96,4.58,;-10.3,5.35,;-8.96,3.04,;-10.3,3.81,)|
OCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cc[nH]c(=O)c3)nc2c1 |r,wU:7.6,9.9,(-8.96,4.79,;-7.63,5.56,;-6.3,4.79,;-6.3,3.25,;-4.96,2.48,;-3.63,3.25,;-2.16,2.77,;-1.76,1.28,;-.43,.51,;-1.2,-.82,;-2.53,-.05,;.26,-1.3,;.26,-2.84,;-1.2,-3.31,;-2.11,-2.07,;-1.6,-4.8,;-.51,-5.89,;-3.09,-5.2,;-3.49,-6.68,;-1.26,4.02,;.28,4.02,;1.05,5.35,;.28,6.68,;2.59,5.35,;3.5,6.6,;4.96,6.12,;4.96,4.58,;3.5,4.11,;6.3,3.81,;7.63,4.58,;8.96,3.81,;8.96,2.27,;7.63,1.5,;7.63,-.04,;6.3,2.27,;-2.16,5.26,;-3.63,4.79,;-4.96,5.56,)|
CC(F)(F)c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.28,21.23,(21.07,-29.11,;21.21,-27.57,;21.97,-26.23,;22.75,-27.56,;19.96,-26.68,;19.95,-25.15,;18.49,-24.68,;17.6,-25.94,;18.51,-27.17,;16.07,-25.95,;15.29,-24.62,;15.3,-27.29,;13.76,-27.3,;12.84,-26.05,;11.37,-26.54,;10.04,-25.77,;8.71,-26.54,;8.71,-28.09,;10.04,-28.86,;11.38,-28.09,;12.86,-28.56,;13.34,-30.02,;14.72,-30.71,;14.02,-32.09,;12.65,-31.39,;15.52,-32.42,;15.68,-33.95,;14.27,-34.57,;13.24,-33.42,;13.94,-36.08,;15.08,-37.11,;12.47,-36.54,;12.14,-38.05,)|
Nc1ccc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,1.5,;6.96,2.27,;5.63,1.5,;4.29,2.27,;4.29,3.81,;5.63,4.58,;6.96,3.81,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
COc1ccc(cn1)C(=O)Nc1nc2cc(CN[C@@H](C)C(C)(C)C)ccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:28.30,30.33,wD:18.19,(10.53,6.48,;9.76,5.15,;8.22,5.14,;7.39,3.81,;5.85,3.81,;5.08,5.14,;5.85,6.48,;7.39,6.48,;3.54,5.14,;2.77,6.48,;2.77,3.81,;1.23,3.81,;.33,5.06,;-1.14,4.58,;-2.47,5.35,;-3.8,4.58,;-5.14,5.35,;-6.47,4.58,;-7.81,5.35,;-7.81,6.89,;-9.14,4.58,;-10.47,5.35,;-9.14,3.04,;-10.47,3.81,;-3.8,3.04,;-2.47,2.27,;-1.14,3.04,;.33,2.57,;.73,1.08,;2.06,.31,;1.29,-1.03,;-.04,-.26,;2.75,-1.5,;2.75,-3.04,;1.29,-3.52,;.38,-2.27,;.89,-5.01,;1.98,-6.09,;-.6,-5.4,;-.99,-6.89,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(nc3)-c3ccccc3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-8.96,6.89,;-8.96,5.35,;-7.63,4.58,;-6.29,5.35,;-4.96,4.58,;-4.96,3.04,;-3.63,2.27,;-2.29,3.04,;-.83,2.57,;-.43,1.08,;.9,.31,;.13,-1.03,;-1.2,-.26,;1.6,-1.5,;1.6,-3.04,;.13,-3.52,;-.77,-2.27,;-.26,-5.01,;.83,-6.09,;-1.75,-5.4,;-2.15,-6.89,;.08,3.81,;1.62,3.81,;2.39,5.14,;1.62,6.48,;3.93,5.14,;4.7,3.81,;6.24,3.81,;7.01,5.14,;6.24,6.48,;4.7,6.48,;8.55,5.14,;9.32,3.81,;10.86,3.81,;11.63,5.14,;10.86,6.48,;9.32,6.48,;-.83,5.06,;-2.29,4.58,;-3.63,5.35,;-10.29,4.58,;-11.63,5.35,;-10.29,3.04,;-11.63,3.81,)|
FC(F)c1ccc(s1)C(=O)Nc1nc2cc(CN3CCCC3)ccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.29,28.32,(9.48,4.58,;8.15,3.81,;8.15,2.27,;6.81,4.58,;6.81,6.12,;5.35,6.6,;4.44,5.35,;5.35,4.11,;2.9,5.35,;2.13,6.68,;2.13,4.02,;.59,4.02,;-.31,5.26,;-1.78,4.79,;-3.11,5.56,;-4.44,4.79,;-5.78,5.56,;-7.11,4.79,;-8.58,5.26,;-9.48,4.02,;-8.58,2.77,;-7.11,3.25,;-4.44,3.25,;-3.11,2.48,;-1.78,3.25,;-.31,2.77,;.09,1.28,;1.42,.51,;.65,-.82,;-.68,-.05,;2.12,-1.3,;2.12,-2.84,;.65,-3.31,;-.25,-2.07,;.25,-4.8,;1.34,-5.89,;-1.24,-5.2,;-1.63,-6.68,)|
O[C@H]1CC[C@@H](CC1)NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1 |r,wU:14.14,16.17,4.7,wD:1.0,(-10.96,7.28,;-9.63,6.51,;-9.63,4.97,;-8.3,4.2,;-6.96,4.97,;-6.96,6.51,;-8.3,7.28,;-5.63,4.2,;-4.29,4.97,;-2.96,4.2,;-2.96,2.66,;-1.63,1.89,;-.29,2.66,;1.17,2.18,;1.57,.69,;2.9,-.08,;2.13,-1.41,;.8,-.64,;3.6,-1.89,;3.6,-3.43,;2.13,-3.9,;1.23,-2.66,;1.73,-5.39,;2.82,-6.48,;.25,-5.79,;-.15,-7.28,;2.08,3.43,;3.62,3.43,;4.39,4.76,;3.62,6.09,;5.93,4.76,;6.83,6.01,;8.3,5.53,;8.3,3.99,;6.83,3.51,;9.63,3.22,;10.96,3.99,;9.63,1.68,;1.17,4.67,;-.29,4.2,;-1.63,4.97,)|
O[C@H]1C[C@@H](C1)NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1 |r,wU:12.12,14.15,3.5,wD:1.0,(-10.57,7.05,;-9.24,6.28,;-8.84,4.79,;-7.35,5.19,;-7.75,6.68,;-6.02,4.42,;-4.69,5.19,;-3.35,4.42,;-3.35,2.88,;-2.02,2.11,;-.68,2.88,;.78,2.41,;1.18,.92,;2.51,.15,;1.74,-1.19,;.41,-.42,;3.21,-1.66,;3.21,-3.2,;1.74,-3.68,;.84,-2.43,;1.34,-5.16,;2.43,-6.25,;-.14,-5.56,;-.54,-7.05,;1.69,3.65,;3.23,3.65,;4,4.99,;3.23,6.32,;5.54,4.99,;6.44,6.23,;7.91,5.76,;7.91,4.22,;6.44,3.74,;9.24,3.45,;10.57,4.22,;9.24,1.91,;.78,4.9,;-.68,4.42,;-2.02,5.19,)|
CC(C)(CO)CNCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1 |r,wU:15.17,13.12,(31.69,-7.25,;30.92,-5.92,;30.15,-7.24,;29.6,-5.15,;28.26,-5.92,;32.26,-5.15,;33.6,-5.92,;34.93,-5.15,;36.26,-5.92,;36.26,-7.46,;37.6,-8.23,;38.94,-7.46,;40.42,-7.93,;40.9,-9.39,;42.27,-10.08,;41.58,-11.46,;40.2,-10.77,;43.08,-11.79,;43.23,-13.33,;41.82,-13.94,;40.8,-12.79,;41.49,-15.45,;42.63,-16.49,;40.03,-15.92,;39.7,-17.42,;41.32,-6.67,;42.86,-6.66,;43.62,-5.33,;42.84,-4,;45.16,-5.31,;46.05,-4.06,;47.51,-4.52,;47.52,-6.05,;46.07,-6.54,;48.77,-6.95,;50.17,-6.31,;48.62,-8.48,;40.4,-5.42,;38.93,-5.91,;37.59,-5.15,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3cccc(c3)-c3cnco3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-7.66,6.49,;-7.66,4.95,;-6.32,4.18,;-4.99,4.95,;-3.66,4.18,;-3.66,2.64,;-2.32,1.87,;-.99,2.64,;.47,2.17,;.87,.68,;2.21,-.09,;1.44,-1.42,;.1,-.65,;2.9,-1.9,;2.9,-3.44,;1.44,-3.92,;.53,-2.67,;1.04,-5.4,;2.13,-6.49,;-.45,-5.8,;-1.54,-4.71,;1.38,3.41,;2.92,3.41,;3.69,4.75,;2.92,6.08,;5.23,4.75,;6,6.08,;7.54,6.08,;8.31,4.75,;7.54,3.41,;6,3.41,;8.31,2.08,;7.83,.61,;9.08,-.29,;10.33,.61,;9.85,2.08,;.47,4.66,;-.99,4.18,;-2.32,4.95,;-8.99,4.18,;-10.33,4.95,;-8.99,2.64,;-10.33,3.41,)|
C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(cc3)-c3cnco3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-8.61,6.89,;-8.61,5.35,;-7.27,4.58,;-5.94,5.35,;-4.6,4.58,;-4.6,3.04,;-3.27,2.27,;-1.94,3.04,;-.47,2.57,;-.07,1.08,;1.26,.31,;.49,-1.03,;-.84,-.26,;1.95,-1.5,;1.95,-3.04,;.49,-3.52,;-.42,-2.27,;.09,-5.01,;1.18,-6.09,;-1.4,-5.4,;-1.79,-6.89,;.43,3.81,;1.97,3.81,;2.74,5.14,;1.97,6.48,;4.28,5.14,;5.05,3.81,;6.59,3.81,;7.36,5.14,;6.59,6.48,;5.05,6.48,;8.9,5.14,;9.81,3.9,;11.27,4.37,;11.27,5.91,;9.81,6.39,;-.47,5.06,;-1.94,4.58,;-3.27,5.35,;-9.94,4.58,;-11.27,5.35,;-9.94,3.04,;-11.27,3.81,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cnco3)nc3cc(CN4CCCC4)ccc23)C1 |r,wU:9.11,7.10,(-2.15,-6.68,;-1.75,-5.2,;-.27,-4.8,;.82,-5.89,;.13,-3.31,;1.6,-2.84,;1.6,-1.3,;.13,-.82,;.9,.51,;-.43,1.28,;-1.2,-.05,;-.83,2.77,;.08,4.02,;1.62,4.02,;2.39,5.35,;1.62,6.68,;3.93,5.35,;4.83,6.6,;6.3,6.12,;6.3,4.58,;4.83,4.11,;7.63,3.81,;9.09,4.29,;10,3.04,;9.09,1.8,;7.63,2.27,;-.83,5.26,;-2.29,4.79,;-3.63,5.56,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-9.09,5.26,;-10,4.02,;-9.09,2.77,;-7.63,3.25,;-4.96,3.25,;-3.63,2.48,;-2.29,3.25,;-.77,-2.07,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cnco3)nc3cc(CN4CCOCC4)ccc23)C1 |r,wU:9.11,7.10,(-2,-6.68,;-1.6,-5.2,;-.12,-4.8,;.97,-5.89,;.28,-3.31,;1.75,-2.84,;1.75,-1.3,;.28,-.82,;1.05,.51,;-.28,1.28,;-1.05,-.05,;-.68,2.77,;.22,4.02,;1.76,4.02,;2.53,5.35,;1.76,6.68,;4.07,5.35,;4.98,6.6,;6.44,6.12,;6.44,4.58,;4.98,4.11,;7.78,3.81,;9.24,4.29,;10.15,3.04,;9.24,1.8,;7.78,2.27,;-.68,5.26,;-2.15,4.79,;-3.48,5.56,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-8.81,5.56,;-10.15,4.79,;-10.15,3.25,;-8.81,2.48,;-7.48,3.25,;-4.81,3.25,;-3.48,2.48,;-2.15,3.25,;-.62,-2.07,)|
O[C@H]1CC[C@@H](CC1)NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:16.19,14.14,4.7,wD:1.0,(27.35,-24.1,;28.68,-24.87,;28.67,-26.42,;30.01,-27.19,;31.34,-26.42,;31.34,-24.88,;30.02,-24.11,;32.67,-27.19,;34,-26.42,;35.34,-27.19,;35.34,-28.73,;36.67,-29.51,;38.01,-28.73,;39.49,-29.21,;39.97,-30.66,;41.34,-31.36,;40.65,-32.73,;39.28,-32.04,;42.15,-33.06,;42.31,-34.6,;40.9,-35.22,;39.87,-34.06,;40.57,-36.72,;41.71,-37.76,;39.1,-37.19,;38.77,-38.69,;40.39,-27.94,;41.93,-27.94,;42.7,-26.6,;41.92,-25.27,;44.23,-26.59,;45.12,-25.33,;46.58,-25.79,;46.59,-27.33,;45.14,-27.81,;47.84,-28.22,;49.3,-27.73,;50.21,-28.96,;49.32,-30.21,;47.86,-29.75,;39.47,-26.7,;38,-27.18,;36.67,-26.42,)|
O[C@H]1C[C@@H](C1)NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:12.12,14.15,3.5,wD:1.0,(-11.09,7.05,;-9.76,6.28,;-9.36,4.79,;-7.87,5.19,;-8.27,6.68,;-6.54,4.42,;-5.2,5.19,;-3.87,4.42,;-3.87,2.88,;-2.54,2.11,;-1.2,2.88,;.26,2.41,;.66,.92,;1.99,.15,;1.22,-1.19,;-.11,-.42,;2.69,-1.66,;2.69,-3.2,;1.22,-3.68,;.32,-2.43,;.83,-5.16,;1.91,-6.25,;-.66,-5.56,;-1.06,-7.05,;1.17,3.65,;2.71,3.65,;3.48,4.99,;2.71,6.32,;5.02,4.99,;5.92,6.23,;7.39,5.76,;7.39,4.22,;5.92,3.74,;8.72,3.45,;10.19,3.92,;11.09,2.68,;10.19,1.43,;8.72,1.91,;.26,4.9,;-1.2,4.42,;-2.54,5.19,)|
CC(C)(CO)CNCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:15.17,13.12,(57.21,-6.44,;56.45,-5.11,;55.68,-6.44,;55.12,-4.34,;53.79,-5.11,;57.79,-4.34,;59.13,-5.11,;60.46,-4.34,;61.79,-5.11,;61.79,-6.65,;63.13,-7.43,;64.47,-6.65,;65.94,-7.13,;66.42,-8.58,;67.8,-9.28,;67.1,-10.66,;65.73,-9.96,;68.61,-10.98,;68.76,-12.52,;67.35,-13.14,;66.33,-11.99,;67.02,-14.64,;68.16,-15.68,;65.55,-15.11,;65.23,-16.61,;66.85,-5.86,;68.39,-5.86,;69.15,-4.52,;68.37,-3.19,;70.69,-4.51,;71.57,-3.25,;73.04,-3.71,;73.05,-5.25,;71.59,-5.73,;74.3,-6.14,;75.76,-5.65,;76.67,-6.88,;75.78,-8.13,;74.32,-7.67,;65.93,-4.62,;64.46,-5.1,;63.12,-4.34,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccno3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-2.82,-6.68,;-2.42,-5.2,;-.93,-4.8,;.16,-5.89,;-.53,-3.31,;.93,-2.84,;.93,-1.3,;-.53,-.82,;.24,.51,;-1.1,1.28,;-1.87,-.05,;-1.5,2.77,;-.59,4.02,;.95,4.02,;1.72,5.35,;.95,6.68,;3.26,5.35,;4.16,6.6,;5.63,6.12,;5.63,4.58,;4.16,4.11,;-1.5,5.26,;-2.96,4.79,;-4.29,5.56,;-5.63,4.79,;-5.63,3.25,;-4.29,2.48,;-2.96,3.25,;-1.44,-2.07,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccns3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-2.82,-6.68,;-2.42,-5.2,;-.93,-4.8,;.16,-5.89,;-.53,-3.31,;.93,-2.84,;.93,-1.3,;-.53,-.82,;.24,.51,;-1.1,1.28,;-1.87,-.05,;-1.5,2.77,;-.59,4.02,;.95,4.02,;1.72,5.35,;.95,6.68,;3.26,5.35,;4.16,6.6,;5.63,6.12,;5.63,4.58,;4.16,4.11,;-1.5,5.26,;-2.96,4.79,;-4.29,5.56,;-5.63,4.79,;-5.63,3.25,;-4.29,2.48,;-2.96,3.25,;-1.44,-2.07,)|
Cc1ccc(cn1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:19.21,21.24,(6.75,5.35,;5.21,5.35,;4.44,4.02,;2.9,4.02,;2.13,5.35,;2.9,6.68,;4.44,6.68,;.59,5.35,;-.18,6.68,;-.18,4.02,;-1.72,4.02,;-2.62,5.26,;-4.09,4.79,;-5.42,5.56,;-6.75,4.79,;-6.75,3.25,;-5.42,2.48,;-4.09,3.25,;-2.62,2.77,;-2.22,1.28,;-.89,.51,;-1.66,-.82,;-2.99,-.05,;-.19,-1.3,;-.19,-2.84,;-1.66,-3.31,;-2.56,-2.07,;-2.06,-4.8,;-.97,-5.89,;-3.55,-5.2,;-3.94,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(cc3)C#N)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.71,-6.68,;-4.32,-5.2,;-2.83,-4.8,;-1.74,-5.89,;-2.43,-3.31,;-.96,-2.84,;-.96,-1.3,;-2.43,-.82,;-1.66,.51,;-2.99,1.28,;-3.76,-.05,;-3.39,2.77,;-2.49,4.02,;-.95,4.02,;-.18,5.35,;-.95,6.68,;1.36,5.35,;2.13,4.02,;3.67,4.02,;4.5,5.35,;3.67,6.68,;2.13,6.68,;6.04,5.35,;7.58,5.35,;-3.39,5.26,;-4.86,4.79,;-6.19,5.56,;-7.52,4.79,;-7.52,3.25,;-6.19,2.48,;-4.86,3.25,;-3.33,-2.07,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3cccc(c3)-c3cnco3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.18,-8.54,;-3.78,-7.05,;-2.3,-6.65,;-1.21,-7.74,;-1.9,-5.16,;-.43,-4.69,;-.43,-3.15,;-1.9,-2.67,;-1.13,-1.34,;-2.46,-.57,;-3.23,-1.9,;-2.86,.92,;-1.95,2.17,;-.41,2.17,;.36,3.5,;-.41,4.83,;1.9,3.5,;2.67,2.17,;4.21,2.17,;4.98,3.5,;4.21,4.83,;2.67,4.83,;4.98,6.17,;6.52,6.17,;6.99,7.63,;5.75,8.54,;4.5,7.63,;-2.86,3.41,;-4.32,2.94,;-5.66,3.71,;-6.99,2.94,;-6.99,1.4,;-5.66,.63,;-4.32,1.4,;-2.8,-3.92,)|
CNc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:9.11,7.6,(58.28,-26.3,;59.61,-25.53,;60.95,-26.3,;60.94,-27.84,;62.28,-28.61,;63.62,-27.84,;65.1,-28.31,;65.58,-29.77,;66.95,-30.46,;66.26,-31.84,;64.89,-31.15,;67.76,-32.17,;67.91,-33.7,;66.5,-34.32,;65.48,-33.17,;66.18,-35.83,;67.31,-36.87,;64.71,-36.3,;64.38,-37.8,;66,-27.05,;67.54,-27.04,;68.3,-25.71,;67.53,-24.38,;69.84,-25.69,;70.73,-24.44,;72.19,-24.9,;72.2,-26.43,;70.75,-26.92,;73.45,-27.32,;74.91,-26.84,;75.82,-28.07,;74.93,-29.32,;73.47,-28.86,;65.08,-25.8,;63.61,-26.29,;62.28,-25.53,)|
CN(C(=O)C1CCOCC1)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:15.15,17.18,(-5.48,6.51,;-5.48,4.97,;-6.81,4.2,;-6.81,2.66,;-8.15,4.97,;-8.15,6.51,;-9.48,7.28,;-10.81,6.51,;-10.81,4.97,;-9.48,4.2,;-4.15,4.2,;-4.15,2.66,;-2.81,1.89,;-1.48,2.66,;-.01,2.18,;.38,.69,;1.72,-.08,;.95,-1.41,;-.39,-.64,;2.41,-1.89,;2.41,-3.43,;.95,-3.9,;.04,-2.66,;.55,-5.39,;1.64,-6.48,;-.94,-5.79,;-1.34,-7.28,;.89,3.43,;2.43,3.43,;3.2,4.76,;2.43,6.09,;4.74,4.76,;5.65,6.01,;7.11,5.53,;7.11,3.99,;5.65,3.51,;8.44,3.22,;9.91,3.7,;10.81,2.45,;9.91,1.2,;8.44,1.68,;-.01,4.67,;-1.48,4.2,;-2.81,4.97,)|
CN(C(=O)C1CC1)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:12.12,14.15,(-6.04,6.89,;-6.04,5.35,;-7.38,4.58,;-7.38,3.04,;-8.71,5.35,;-9.48,6.68,;-10.25,5.35,;-4.71,4.58,;-4.71,3.04,;-3.38,2.27,;-2.04,3.04,;-.58,2.57,;-.18,1.08,;1.15,.31,;.38,-1.03,;-.95,-.26,;1.85,-1.5,;1.85,-3.04,;.38,-3.52,;-.52,-2.27,;-.01,-5.01,;1.07,-6.09,;-1.5,-5.4,;-1.9,-6.89,;.33,3.81,;1.87,3.81,;2.64,5.14,;1.87,6.48,;4.18,5.14,;5.08,6.39,;6.55,5.91,;6.55,4.37,;5.08,3.9,;7.88,3.6,;9.35,4.08,;10.25,2.83,;9.35,1.59,;7.88,2.06,;-.58,5.06,;-2.04,4.58,;-3.38,5.35,)|
CN(C(C)=O)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:10.9,12.12,(-6.81,6.89,;-6.81,5.35,;-8.15,4.58,;-9.48,5.35,;-8.15,3.04,;-5.48,4.58,;-5.48,3.04,;-4.15,2.27,;-2.81,3.04,;-1.35,2.57,;-.95,1.08,;.38,.31,;-.39,-1.03,;-1.72,-.26,;1.08,-1.5,;1.08,-3.04,;-.39,-3.52,;-1.29,-2.27,;-.78,-5.01,;.3,-6.09,;-2.27,-5.4,;-2.67,-6.89,;-.44,3.81,;1.1,3.81,;1.87,5.14,;1.1,6.48,;3.41,5.14,;4.31,6.39,;5.78,5.91,;5.78,4.37,;4.31,3.9,;7.11,3.6,;8.58,4.08,;9.48,2.83,;8.58,1.59,;7.11,2.06,;-1.35,5.06,;-2.81,4.58,;-4.15,5.35,)|
CC(C)C(=O)N(C)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:12.11,14.14,(-10.15,4.58,;-8.81,5.35,;-8.81,6.89,;-7.48,4.58,;-7.48,3.04,;-6.15,5.35,;-6.15,6.89,;-4.81,4.58,;-4.81,3.04,;-3.48,2.27,;-2.15,3.04,;-.68,2.57,;-.28,1.08,;1.05,.31,;.28,-1.03,;-1.05,-.26,;1.75,-1.5,;1.75,-3.04,;.28,-3.52,;-.62,-2.27,;-.12,-5.01,;.97,-6.09,;-1.6,-5.4,;-2,-6.89,;.22,3.81,;1.76,3.81,;2.53,5.14,;1.76,6.48,;4.07,5.14,;4.98,6.39,;6.44,5.91,;6.44,4.37,;4.98,3.9,;7.78,3.6,;9.24,4.08,;10.15,2.83,;9.24,1.59,;7.78,2.06,;-.68,5.06,;-2.15,4.58,;-3.48,5.35,)|
COc1ccc(cn1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:20.22,22.25,(7.14,6.68,;6.37,5.35,;4.83,5.35,;4.06,4.02,;2.52,4.02,;1.75,5.35,;2.52,6.68,;4.06,6.68,;.21,5.35,;-.56,6.68,;-.56,4.02,;-2.1,4.02,;-3.01,5.26,;-4.47,4.79,;-5.8,5.56,;-7.14,4.79,;-7.14,3.25,;-5.8,2.48,;-4.47,3.25,;-3.01,2.77,;-2.61,1.28,;-1.27,.51,;-2.04,-.82,;-3.38,-.05,;-.58,-1.3,;-.58,-2.84,;-2.04,-3.31,;-2.95,-2.07,;-2.44,-4.8,;-1.35,-5.89,;-3.93,-5.2,;-4.33,-6.68,)|
Fc1cccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c12 |r,wU:22.23,24.26,(-6.15,.94,;-6.15,2.48,;-7.48,3.25,;-7.48,4.79,;-6.15,5.56,;-4.81,4.79,;-3.35,5.26,;-2.44,4.02,;-.9,4.02,;-.13,5.35,;-.9,6.68,;1.41,5.35,;2.31,6.6,;3.78,6.12,;3.78,4.58,;2.31,4.11,;5.11,3.81,;6.58,4.29,;7.48,3.04,;6.58,1.8,;5.11,2.27,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,;-4.81,3.25,)|
Fc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:8.10,6.5,(6.64,-6.08,;7.97,-6.84,;7.97,-8.39,;9.3,-9.16,;10.64,-8.39,;12.12,-8.86,;12.6,-10.32,;13.98,-11.01,;13.28,-12.39,;11.91,-11.7,;14.79,-12.72,;14.94,-14.25,;13.53,-14.87,;12.5,-13.72,;13.2,-16.38,;14.34,-17.41,;11.73,-16.84,;11.4,-18.35,;13.03,-7.6,;14.57,-7.59,;15.33,-6.25,;14.55,-4.92,;16.86,-6.24,;17.75,-4.98,;19.21,-5.45,;19.23,-6.98,;17.77,-7.47,;20.47,-7.87,;21.93,-7.39,;22.84,-8.62,;21.95,-9.87,;20.49,-9.4,;12.11,-6.35,;10.63,-6.84,;9.3,-6.07,)|
Fc1ccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c2c1 |r,wU:21.22,23.25,(-8.15,2.48,;-6.81,3.25,;-6.81,4.79,;-5.48,5.56,;-4.15,4.79,;-2.68,5.26,;-1.78,4.02,;-.24,4.02,;.53,5.35,;-.24,6.68,;2.07,5.35,;2.98,6.6,;4.44,6.12,;4.44,4.58,;2.98,4.11,;5.78,3.81,;7.24,4.29,;8.15,3.04,;7.24,1.8,;5.78,2.27,;-2.68,2.77,;-2.28,1.28,;-.95,.51,;-1.72,-.82,;-3.05,-.05,;-.25,-1.3,;-.25,-2.84,;-1.72,-3.31,;-2.62,-2.07,;-2.12,-4.8,;-1.03,-5.89,;-3.61,-5.2,;-4,-6.68,;-4.15,3.25,;-5.48,2.48,)|
C[C@H](N1CCOCC1)C(=O)N(C)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:17.17,19.20,1.0,(-7.48,6.89,;-7.48,5.35,;-8.81,4.58,;-10.15,5.35,;-11.48,4.58,;-11.48,3.04,;-10.15,2.27,;-8.81,3.04,;-6.15,4.58,;-6.15,3.04,;-4.81,5.35,;-4.81,6.89,;-3.48,4.58,;-3.48,3.04,;-2.15,2.27,;-.81,3.04,;.65,2.57,;1.05,1.08,;2.39,.31,;1.62,-1.03,;.28,-.26,;3.08,-1.5,;3.08,-3.04,;1.62,-3.52,;.71,-2.27,;1.22,-5.01,;2.31,-6.09,;-.27,-5.4,;-.67,-6.89,;1.56,3.81,;3.1,3.81,;3.87,5.14,;3.1,6.48,;5.41,5.14,;6.31,6.39,;7.78,5.91,;7.78,4.37,;6.31,3.9,;9.11,3.6,;10.58,4.08,;11.48,2.83,;10.58,1.59,;9.11,2.06,;.65,5.06,;-.81,4.58,;-2.15,5.35,)|
CN(C(=O)C1CCCCC1)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:15.15,17.18,(-5.48,6.51,;-5.48,4.97,;-6.81,4.2,;-6.81,2.66,;-8.15,4.97,;-8.15,6.51,;-9.48,7.28,;-10.81,6.51,;-10.81,4.97,;-9.48,4.2,;-4.15,4.2,;-4.15,2.66,;-2.81,1.89,;-1.48,2.66,;-.01,2.18,;.38,.69,;1.72,-.08,;.95,-1.41,;-.39,-.64,;2.41,-1.89,;2.41,-3.43,;.95,-3.9,;.04,-2.66,;.55,-5.39,;1.64,-6.48,;-.94,-5.79,;-1.34,-7.28,;.89,3.43,;2.43,3.43,;3.2,4.76,;2.43,6.09,;4.74,4.76,;5.65,6.01,;7.11,5.53,;7.11,3.99,;5.65,3.51,;8.44,3.22,;9.91,3.7,;10.81,2.45,;9.91,1.2,;8.44,1.68,;-.01,4.67,;-1.48,4.2,;-2.81,4.97,)|
Fc1cccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc12 |r,wU:7.6,9.9,(-6.15,6.89,;-6.15,5.35,;-7.48,4.58,;-7.48,3.04,;-6.15,2.27,;-4.81,3.04,;-3.35,2.57,;-2.95,1.08,;-1.62,.31,;-2.39,-1.03,;-3.72,-.26,;-.92,-1.5,;-.92,-3.04,;-2.39,-3.52,;-3.29,-2.27,;-2.78,-5.01,;-1.7,-6.09,;-4.27,-5.4,;-4.67,-6.89,;-2.44,3.81,;-.9,3.81,;-.13,5.14,;-.9,6.48,;1.41,5.14,;2.31,6.39,;3.78,5.91,;3.78,4.37,;2.31,3.9,;5.11,3.6,;6.58,4.08,;7.48,2.83,;6.58,1.59,;5.11,2.06,;-3.35,5.06,;-4.81,4.58,)|
Fc1cccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c12 |r,wU:22.23,wD:24.26,(-6.15,.94,;-6.15,2.48,;-7.48,3.25,;-7.48,4.79,;-6.15,5.56,;-4.81,4.79,;-3.35,5.26,;-2.44,4.02,;-.9,4.02,;-.13,5.35,;-.9,6.68,;1.41,5.35,;2.31,6.6,;3.78,6.12,;3.78,4.58,;2.31,4.11,;5.11,3.81,;6.58,4.29,;7.48,3.04,;6.58,1.8,;5.11,2.27,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,;-4.81,3.25,)|
Clc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:6.5,8.8,(-8.15,5.56,;-6.81,4.79,;-6.81,3.25,;-5.48,2.48,;-4.15,3.25,;-2.68,2.77,;-2.28,1.28,;-.95,.51,;-1.72,-.82,;-3.05,-.05,;-.25,-1.3,;-.25,-2.84,;-1.72,-3.31,;-2.62,-2.07,;-2.12,-4.8,;-1.03,-5.89,;-3.61,-5.2,;-4,-6.68,;-1.78,4.02,;-.24,4.02,;.53,5.35,;-.24,6.68,;2.07,5.35,;2.98,6.6,;4.44,6.12,;4.44,4.58,;2.98,4.11,;5.78,3.81,;7.24,4.29,;8.15,3.04,;7.24,1.8,;5.78,2.27,;-2.68,5.26,;-4.15,4.79,;-5.48,5.56,)|
Clc1cccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc12 |r,wU:7.6,9.9,(-6.15,6.89,;-6.15,5.35,;-7.48,4.58,;-7.48,3.04,;-6.15,2.27,;-4.81,3.04,;-3.35,2.57,;-2.95,1.08,;-1.62,.31,;-2.39,-1.03,;-3.72,-.26,;-.92,-1.5,;-.92,-3.04,;-2.39,-3.52,;-3.29,-2.27,;-2.78,-5.01,;-1.7,-6.09,;-4.27,-5.4,;-4.67,-6.89,;-2.44,3.81,;-.9,3.81,;-.13,5.14,;-.9,6.48,;1.41,5.14,;2.31,6.39,;3.78,5.91,;3.78,4.37,;2.31,3.9,;5.11,3.6,;6.58,4.08,;7.48,2.83,;6.58,1.59,;5.11,2.06,;-3.35,5.06,;-4.81,4.58,)|
Clc1ccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c2c1 |r,wU:21.22,23.25,(-8.15,2.48,;-6.81,3.25,;-6.81,4.79,;-5.48,5.56,;-4.15,4.79,;-2.68,5.26,;-1.78,4.02,;-.24,4.02,;.53,5.35,;-.24,6.68,;2.07,5.35,;2.98,6.6,;4.44,6.12,;4.44,4.58,;2.98,4.11,;5.78,3.81,;7.24,4.29,;8.15,3.04,;7.24,1.8,;5.78,2.27,;-2.68,2.77,;-2.28,1.28,;-.95,.51,;-1.72,-.82,;-3.05,-.05,;-.25,-1.3,;-.25,-2.84,;-1.72,-3.31,;-2.62,-2.07,;-2.12,-4.8,;-1.03,-5.89,;-3.61,-5.2,;-4,-6.68,;-4.15,3.25,;-5.48,2.48,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(Oc4ccccc4)nc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.48,-6.68,;-5.09,-5.2,;-3.6,-4.8,;-2.51,-5.89,;-3.2,-3.31,;-1.73,-2.84,;-1.73,-1.3,;-3.2,-.82,;-2.43,.51,;-3.76,1.28,;-4.53,-.05,;-4.16,2.77,;-3.26,4.02,;-1.72,4.02,;-.95,5.35,;-1.72,6.68,;.59,5.35,;1.36,4.02,;2.9,4.02,;3.67,5.35,;5.21,5.35,;5.98,4.02,;5.21,2.68,;5.98,1.35,;7.52,1.35,;8.29,2.68,;7.52,4.02,;2.9,6.68,;1.36,6.68,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.29,4.79,;-8.29,3.25,;-6.96,2.48,;-5.63,3.25,;-4.1,-2.07,)|
Fc1cccc2n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc12 |r,wU:7.6,wD:9.9,(-6.15,6.89,;-6.15,5.35,;-7.48,4.58,;-7.48,3.04,;-6.15,2.27,;-4.81,3.04,;-3.35,2.57,;-2.95,1.08,;-1.62,.31,;-2.39,-1.03,;-3.72,-.26,;-.92,-1.5,;-.92,-3.04,;-2.39,-3.52,;-3.29,-2.27,;-2.78,-5.01,;-1.7,-6.09,;-4.27,-5.4,;-4.67,-6.89,;-2.44,3.81,;-.9,3.81,;-.13,5.14,;-.9,6.48,;1.41,5.14,;2.31,6.39,;3.78,5.91,;3.78,4.37,;2.31,3.9,;5.11,3.6,;6.58,4.08,;7.48,2.83,;6.58,1.59,;5.11,2.06,;-3.35,5.06,;-4.81,4.58,)|
Fc1ccc2n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:6.5,wD:8.8,(-8.15,5.56,;-6.81,4.79,;-6.81,3.25,;-5.48,2.48,;-4.15,3.25,;-2.68,2.77,;-2.28,1.28,;-.95,.51,;-1.72,-.82,;-3.05,-.05,;-.25,-1.3,;-.25,-2.84,;-1.72,-3.31,;-2.62,-2.07,;-2.12,-4.8,;-1.03,-5.89,;-3.61,-5.2,;-4,-6.68,;-1.78,4.02,;-.24,4.02,;.53,5.35,;-.24,6.68,;2.07,5.35,;2.98,6.6,;4.44,6.12,;4.44,4.58,;2.98,4.11,;5.78,3.81,;7.24,4.29,;8.15,3.04,;7.24,1.8,;5.78,2.27,;-2.68,5.26,;-4.15,4.79,;-5.48,5.56,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccccn3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|
Cn1nccc1-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.26,25.29,(3.78,1.5,;5.11,2.27,;6.58,1.8,;7.48,3.04,;6.58,4.29,;5.11,3.81,;3.78,4.58,;3.78,6.12,;2.31,6.6,;1.41,5.35,;2.31,4.11,;-.13,5.35,;-.9,6.68,;-.9,4.02,;-2.44,4.02,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cccnn3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cnco3)nc3ccc(CN4CCOCC4)cc23)C1 |r,wU:9.11,7.10,(-2,-6.68,;-1.6,-5.2,;-.12,-4.8,;.97,-5.89,;.28,-3.31,;1.75,-2.84,;1.75,-1.3,;.28,-.82,;1.05,.51,;-.28,1.28,;-1.05,-.05,;-.68,2.77,;.22,4.02,;1.76,4.02,;2.53,5.35,;1.76,6.68,;4.07,5.35,;4.98,6.6,;6.44,6.12,;6.44,4.58,;4.98,4.11,;7.78,3.81,;9.24,4.29,;10.15,3.04,;9.24,1.8,;7.78,2.27,;-.68,5.26,;-2.15,4.79,;-3.48,5.56,;-4.81,4.79,;-4.81,3.25,;-6.15,2.48,;-7.48,3.25,;-7.48,4.79,;-8.81,5.56,;-10.15,4.79,;-10.15,3.25,;-8.81,2.48,;-3.48,2.48,;-2.15,3.25,;-.62,-2.07,)|
OCc1ccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c2c1 |r,wU:22.23,wD:24.26,(-8.81,3.25,;-7.48,2.48,;-6.15,3.25,;-6.15,4.79,;-4.81,5.56,;-3.48,4.79,;-2.01,5.26,;-1.11,4.02,;.43,4.02,;1.2,5.35,;.43,6.68,;2.74,5.35,;3.65,6.6,;5.11,6.12,;5.11,4.58,;3.65,4.11,;6.44,3.81,;7.91,4.29,;8.81,3.04,;7.91,1.8,;6.44,2.27,;-2.01,2.77,;-1.62,1.28,;-.28,.51,;-1.05,-.82,;-2.39,-.05,;.41,-1.3,;.41,-2.84,;-1.05,-3.31,;-1.96,-2.07,;-1.45,-4.8,;-.36,-5.89,;-2.94,-5.2,;-3.34,-6.68,;-3.48,3.25,;-4.81,2.48,)|
Cc1csc(c1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:18.20,20.23,(6.3,6.79,;4.96,6.02,;4.96,4.48,;3.5,4,;2.59,5.25,;3.5,6.49,;1.05,5.25,;.28,6.58,;.28,3.91,;-1.26,3.91,;-2.16,5.16,;-3.63,4.68,;-4.96,5.45,;-6.3,4.68,;-6.3,3.14,;-4.96,2.37,;-3.63,3.14,;-2.16,2.67,;-1.76,1.18,;-.43,.41,;-1.2,-.92,;-2.53,-.15,;.26,-1.4,;.26,-2.94,;-1.2,-3.41,;-2.11,-2.17,;-1.6,-4.9,;-.51,-5.99,;-3.09,-5.3,;-3.49,-6.79,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3cccs3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-2.82,-6.68,;-2.42,-5.2,;-.93,-4.8,;.16,-5.89,;-.53,-3.31,;.93,-2.84,;.93,-1.3,;-.53,-.82,;.24,.51,;-1.1,1.28,;-1.87,-.05,;-1.5,2.77,;-.59,4.02,;.95,4.02,;1.72,5.35,;.95,6.68,;3.26,5.35,;4.16,6.6,;5.63,6.12,;5.63,4.58,;4.16,4.11,;-1.5,5.26,;-2.96,4.79,;-4.29,5.56,;-5.63,4.79,;-5.63,3.25,;-4.29,2.48,;-2.96,3.25,;-1.44,-2.07,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(=O)[nH]c3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-3.94,-6.68,;-3.55,-5.2,;-2.06,-4.8,;-.97,-5.89,;-1.66,-3.31,;-.19,-2.84,;-.19,-1.3,;-1.66,-.82,;-.89,.51,;-2.22,1.28,;-2.99,-.05,;-2.62,2.77,;-1.72,4.02,;-.18,4.02,;.59,5.35,;-.18,6.68,;2.13,5.35,;2.9,6.68,;4.44,6.68,;5.21,5.35,;6.75,5.35,;4.44,4.02,;2.9,4.02,;-2.62,5.26,;-4.09,4.79,;-5.42,5.56,;-6.75,4.79,;-6.75,3.25,;-5.42,2.48,;-4.09,3.25,;-2.56,-2.07,)|
Cn1ccc(cc1=O)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:20.22,22.25,(6.75,5.35,;5.21,5.35,;4.44,6.68,;2.9,6.68,;2.13,5.35,;2.9,4.02,;4.44,4.02,;5.21,2.68,;.59,5.35,;-.18,6.68,;-.18,4.02,;-1.72,4.02,;-2.62,5.26,;-4.09,4.79,;-5.42,5.56,;-6.75,4.79,;-6.75,3.25,;-5.42,2.48,;-4.09,3.25,;-2.62,2.77,;-2.22,1.28,;-.89,.51,;-1.66,-.82,;-2.99,-.05,;-.19,-1.3,;-.19,-2.84,;-1.66,-3.31,;-2.56,-2.07,;-2.06,-4.8,;-.97,-5.89,;-3.55,-5.2,;-3.94,-6.68,)|
C=CC(=O)N1CC[C@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cnco3)nc3ccc(CN4CCCC4)cc23)C1 |r,wU:9.11,wD:7.10,(-2.15,-6.68,;-1.75,-5.2,;-.27,-4.8,;.82,-5.89,;.13,-3.31,;1.6,-2.84,;1.6,-1.3,;.13,-.82,;.9,.51,;-.43,1.28,;-1.2,-.05,;-.83,2.77,;.08,4.02,;1.62,4.02,;2.39,5.35,;1.62,6.68,;3.93,5.35,;4.83,6.6,;6.3,6.12,;6.3,4.58,;4.83,4.11,;7.63,3.81,;9.09,4.29,;10,3.04,;9.09,1.8,;7.63,2.27,;-.83,5.26,;-2.29,4.79,;-3.63,5.56,;-4.96,4.79,;-4.96,3.25,;-6.3,2.48,;-7.63,3.25,;-7.63,4.79,;-9.09,5.26,;-10,4.02,;-9.09,2.77,;-3.63,2.48,;-2.29,3.25,;-.77,-2.07,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-n3cccn3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.67,-6.68,;-4.27,-5.2,;-2.78,-4.8,;-1.7,-5.89,;-2.39,-3.31,;-.92,-2.84,;-.92,-1.3,;-2.39,-.82,;-1.62,.51,;-2.95,1.28,;-3.72,-.05,;-3.35,2.77,;-2.44,4.02,;-.9,4.02,;-.13,5.35,;-.9,6.68,;1.41,5.35,;2.31,6.6,;3.78,6.12,;3.78,4.58,;2.31,4.11,;5.11,3.81,;6.58,4.29,;7.48,3.04,;6.58,1.8,;5.11,2.27,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.29,-2.07,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cccnc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|
Cc1nnc(o1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.26,25.29,(6.97,.31,;6.58,1.8,;7.48,3.04,;6.58,4.29,;5.11,3.81,;5.11,2.27,;3.78,4.58,;3.78,6.12,;2.31,6.6,;1.41,5.35,;2.31,4.11,;-.13,5.35,;-.9,6.68,;-.9,4.02,;-2.44,4.02,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,)|
COc1ccc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.97,2.26,;7.64,1.49,;6.31,2.26,;6.31,3.81,;4.95,4.58,;3.62,3.81,;3.62,2.27,;4.96,1.48,;2.28,4.58,;2.28,6.12,;.82,6.6,;-.09,5.35,;.82,4.11,;-1.63,5.35,;-2.4,6.68,;-2.4,4.02,;-3.94,4.02,;-4.84,5.26,;-6.31,4.79,;-7.64,5.56,;-8.97,4.79,;-8.97,3.25,;-7.64,2.48,;-6.31,3.25,;-4.84,2.77,;-4.44,1.28,;-3.11,.51,;-3.88,-.82,;-5.21,-.05,;-2.42,-1.3,;-2.42,-2.84,;-3.88,-3.31,;-4.79,-2.07,;-4.28,-4.8,;-3.19,-5.89,;-5.77,-5.2,;-6.17,-6.68,)|
COc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(7.62,-.83,;6.29,-.06,;6.3,1.48,;4.95,2.27,;4.95,3.81,;6.28,4.58,;7.64,3.81,;7.64,2.26,;3.62,4.58,;3.62,6.12,;2.15,6.6,;1.25,5.35,;2.15,4.11,;-.29,5.35,;-1.06,6.68,;-1.06,4.02,;-2.6,4.02,;-3.51,5.26,;-4.97,4.79,;-6.31,5.56,;-7.64,4.79,;-7.64,3.25,;-6.31,2.48,;-4.97,3.25,;-3.51,2.77,;-3.11,1.28,;-1.78,.51,;-2.55,-.82,;-3.88,-.05,;-1.08,-1.3,;-1.08,-2.84,;-2.55,-3.31,;-3.45,-2.07,;-2.94,-4.8,;-1.86,-5.89,;-4.43,-5.2,;-4.83,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cc[nH]c(=O)c3)nc3ccccc23)C1 |r,wU:7.6,9.11,(11.17,-39.5,;11.5,-38,;12.96,-37.53,;14.1,-38.57,;13.29,-36.02,;14.7,-35.41,;14.55,-33.87,;13.05,-33.54,;13.74,-32.16,;12.37,-31.47,;11.68,-32.85,;11.89,-30.01,;12.79,-28.75,;14.33,-28.74,;15.09,-27.41,;14.32,-26.08,;16.63,-27.39,;17.52,-26.14,;18.98,-26.6,;18.99,-28.14,;17.54,-28.62,;20.24,-29.02,;21.64,-28.38,;22.89,-29.29,;22.74,-30.82,;21.33,-31.45,;21.18,-32.99,;20.08,-30.56,;11.87,-27.5,;10.4,-27.99,;9.06,-27.23,;7.74,-28,;7.73,-29.54,;9.07,-30.31,;10.41,-29.54,;12.27,-34.87,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccc(=O)[nH]c3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.49,-6.68,;-5.09,-5.2,;-3.6,-4.8,;-2.51,-5.89,;-3.2,-3.31,;-1.74,-2.84,;-1.74,-1.3,;-3.2,-.82,;-2.43,.51,;-3.77,1.28,;-4.54,-.05,;-4.16,2.77,;-3.26,4.02,;-1.72,4.02,;-.95,5.35,;-1.72,6.68,;.59,5.35,;1.5,6.6,;2.96,6.12,;2.96,4.58,;1.5,4.11,;4.29,3.81,;5.63,4.58,;6.96,3.81,;6.96,2.27,;8.3,1.5,;5.63,1.5,;4.29,2.27,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.11,-2.07,)|
CCNC(=O)c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.27,(8.3,4.58,;6.96,3.81,;5.63,4.58,;4.29,3.81,;4.29,2.27,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccccc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|
Cc1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:18.20,20.23,(6.3,3.81,;4.96,4.58,;4.96,6.12,;3.5,6.6,;2.59,5.35,;3.5,4.11,;1.05,5.35,;.28,6.68,;.28,4.02,;-1.26,4.02,;-2.16,5.26,;-3.63,4.79,;-4.96,5.56,;-6.3,4.79,;-6.3,3.25,;-4.96,2.48,;-3.63,3.25,;-2.16,2.77,;-1.76,1.28,;-.43,.51,;-1.2,-.82,;-2.53,-.05,;.26,-1.3,;.26,-2.84,;-1.2,-3.31,;-2.11,-2.07,;-1.6,-4.8,;-.51,-5.89,;-3.09,-5.2,;-3.49,-6.68,)|
CCC(=O)Nc1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.27,(8.3,4.58,;6.96,3.81,;5.63,4.58,;5.63,6.12,;4.29,3.81,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)C#C)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.15,-6.68,;-3.75,-5.2,;-2.27,-4.8,;-1.18,-5.89,;-1.87,-3.31,;-.4,-2.84,;-.4,-1.3,;-1.87,-.82,;-1.1,.51,;-2.43,1.28,;-3.2,-.05,;-2.83,2.77,;-1.93,4.02,;-.38,4.02,;.38,5.35,;-.38,6.68,;1.93,5.35,;2.83,6.6,;4.29,6.12,;4.29,4.58,;2.83,4.11,;5.63,3.81,;6.96,3.04,;-2.83,5.26,;-4.29,4.79,;-5.63,5.56,;-6.96,4.79,;-6.96,3.25,;-5.63,2.48,;-4.29,3.25,;-2.77,-2.07,)|
Cn1cc(ccc1=O)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(5.63,-.04,;5.63,1.5,;4.29,2.27,;4.29,3.81,;5.63,4.58,;6.96,3.81,;6.96,2.27,;8.3,1.5,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
Cn1ccc(cc1=O)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.3,1.5,;6.96,2.27,;6.96,3.81,;5.63,4.58,;4.29,3.81,;4.29,2.27,;5.63,1.5,;5.63,-.04,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccncc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|
Cn1cc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.26,25.29,(6.97,.31,;6.58,1.8,;5.11,2.27,;5.11,3.81,;6.58,4.29,;7.48,3.04,;3.78,4.58,;3.78,6.12,;2.31,6.6,;1.41,5.35,;2.31,4.11,;-.13,5.35,;-.9,6.68,;-.9,4.02,;-2.44,4.02,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccnnc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|
Brc1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:18.20,20.23,(6.3,3.81,;4.96,4.58,;4.96,6.12,;3.5,6.6,;2.59,5.35,;3.5,4.11,;1.05,5.35,;.28,6.68,;.28,4.02,;-1.26,4.02,;-2.16,5.26,;-3.63,4.79,;-4.96,5.56,;-6.3,4.79,;-6.3,3.25,;-4.96,2.48,;-3.63,3.25,;-2.16,2.77,;-1.76,1.28,;-.43,.51,;-1.2,-.82,;-2.53,-.05,;.26,-1.3,;.26,-2.84,;-1.2,-3.31,;-2.11,-2.07,;-1.6,-4.8,;-.51,-5.89,;-3.09,-5.2,;-3.49,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cc[nH]n3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.67,-6.68,;-4.27,-5.2,;-2.78,-4.8,;-1.7,-5.89,;-2.39,-3.31,;-.92,-2.84,;-.92,-1.3,;-2.39,-.82,;-1.62,.51,;-2.95,1.28,;-3.72,-.05,;-3.35,2.77,;-2.44,4.02,;-.9,4.02,;-.13,5.35,;-.9,6.68,;1.41,5.35,;2.31,6.6,;3.78,6.12,;3.78,4.58,;2.31,4.11,;5.11,3.81,;5.11,2.27,;6.58,1.8,;7.48,3.04,;6.58,4.29,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.29,-2.07,)|
CNc1ccc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,2.27,;7.63,1.5,;6.3,2.27,;4.96,1.5,;3.63,2.27,;3.63,3.81,;4.96,4.58,;6.3,3.81,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|
OCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1 |r,wU:7.6,9.9,(-8.3,4.79,;-6.96,5.56,;-5.63,4.79,;-5.63,3.25,;-4.29,2.48,;-2.96,3.25,;-1.5,2.77,;-1.1,1.28,;.24,.51,;-.53,-.82,;-1.87,-.05,;.93,-1.3,;.93,-2.84,;-.53,-3.31,;-1.44,-2.07,;-.93,-4.8,;.16,-5.89,;-2.42,-5.2,;-2.82,-6.68,;-.59,4.02,;.95,4.02,;1.72,5.35,;.95,6.68,;3.26,5.35,;4.16,6.6,;5.63,6.12,;5.63,4.58,;4.16,4.11,;6.96,3.81,;6.96,2.27,;8.3,4.58,;-1.5,5.26,;-2.96,4.79,;-4.29,5.56,)|
Cn1cncc1-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.26,25.29,(3.78,1.5,;5.11,2.27,;6.58,1.8,;7.48,3.04,;6.58,4.29,;5.11,3.81,;3.78,4.58,;3.78,6.12,;2.31,6.6,;1.41,5.35,;2.31,4.11,;-.13,5.35,;-.9,6.68,;-.9,4.02,;-2.44,4.02,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.67,-6.68,;-4.27,-5.2,;-2.78,-4.8,;-1.7,-5.89,;-2.39,-3.31,;-.92,-2.84,;-.92,-1.3,;-2.39,-.82,;-1.62,.51,;-2.95,1.28,;-3.72,-.05,;-3.35,2.77,;-2.44,4.02,;-.9,4.02,;-.13,5.35,;-.9,6.68,;1.41,5.35,;2.31,6.6,;3.78,6.12,;3.78,4.58,;2.31,4.11,;5.11,3.81,;6.58,4.29,;7.48,3.04,;6.58,1.8,;5.11,2.27,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.29,-2.07,)|
Fc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(6.3,-.04,;6.3,1.5,;4.96,2.27,;4.96,3.81,;6.3,4.58,;7.63,3.81,;7.63,2.27,;3.63,4.58,;3.63,6.12,;2.16,6.6,;1.26,5.35,;2.16,4.11,;-.28,5.35,;-1.05,6.68,;-1.05,4.02,;-2.59,4.02,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.5,2.77,;-3.1,1.28,;-1.76,.51,;-2.53,-.82,;-3.87,-.05,;-1.07,-1.3,;-1.07,-2.84,;-2.53,-3.31,;-3.44,-2.07,;-2.93,-4.8,;-1.84,-5.89,;-4.42,-5.2,;-4.82,-6.68,)|
Fc1ccc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,1.5,;6.96,2.27,;6.96,3.81,;5.63,4.58,;4.29,3.81,;4.29,2.27,;5.63,1.5,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cncnc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|
Nc1cncc(c1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,4.58,;6.96,3.81,;6.96,2.27,;5.63,1.5,;4.29,2.27,;4.29,3.81,;5.63,4.58,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3c[nH]nc3C3CC3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.96,-6.97,;-4.56,-5.49,;-3.08,-5.09,;-1.99,-6.18,;-2.68,-3.6,;-1.21,-3.12,;-1.21,-1.58,;-2.68,-1.11,;-1.91,.23,;-3.24,1,;-4.01,-.34,;-3.64,2.48,;-2.73,3.73,;-1.19,3.73,;-.42,5.06,;-1.19,6.4,;1.12,5.06,;2.02,6.31,;3.49,5.83,;3.49,4.29,;2.02,3.82,;4.82,3.52,;4.82,1.98,;6.28,1.51,;7.19,2.75,;6.28,4,;6.68,5.49,;7.77,6.57,;6.28,6.97,;-3.64,4.97,;-5.1,4.5,;-6.44,5.27,;-7.77,4.5,;-7.77,2.96,;-6.44,2.19,;-5.1,2.96,;-3.58,-2.35,)|
OCC(F)(F)c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.27,(6.89,1.5,;5.55,2.27,;5.55,3.81,;7.04,3.41,;6.64,4.9,;4.22,4.58,;4.22,6.12,;2.75,6.6,;1.85,5.35,;2.75,4.11,;.31,5.35,;-.46,6.68,;-.46,4.02,;-2,4.02,;-2.91,5.26,;-4.37,4.79,;-5.71,5.56,;-7.04,4.79,;-7.04,3.25,;-5.71,2.48,;-4.37,3.25,;-2.91,2.77,;-2.51,1.28,;-1.17,.51,;-1.94,-.82,;-3.28,-.05,;-.48,-1.3,;-.48,-2.84,;-1.94,-3.31,;-2.85,-2.07,;-2.34,-4.8,;-1.25,-5.89,;-3.83,-5.2,;-4.23,-6.68,)|
CNc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:27.33,25.28,(47.22,-29.18,;45.97,-28.29,;44.57,-28.94,;43.31,-28.05,;41.92,-28.68,;41.77,-30.22,;43.02,-31.11,;44.42,-30.48,;40.67,-27.79,;40.66,-26.26,;39.19,-25.8,;38.3,-27.05,;39.21,-28.28,;36.77,-27.07,;35.99,-25.74,;36.01,-28.4,;34.47,-28.41,;33.55,-27.16,;32.08,-27.65,;30.74,-26.89,;29.41,-27.66,;29.41,-29.2,;30.74,-29.97,;32.09,-29.2,;33.56,-29.67,;34.04,-31.13,;35.42,-31.82,;34.72,-33.2,;33.35,-32.51,;36.23,-33.53,;36.38,-35.06,;34.97,-35.68,;33.95,-34.53,;34.64,-37.19,;35.78,-38.22,;33.17,-37.66,;32.85,-39.16,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cnccn3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccncn3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|
Cc1ncncc1-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(6.3,6.12,;6.3,4.58,;7.63,3.81,;7.63,2.27,;6.3,1.5,;4.96,2.27,;4.96,3.81,;3.63,4.58,;3.63,6.12,;2.16,6.6,;1.26,5.35,;2.16,4.11,;-.28,5.35,;-1.05,6.68,;-1.05,4.02,;-2.59,4.02,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.5,2.77,;-3.1,1.28,;-1.76,.51,;-2.53,-.82,;-3.87,-.05,;-1.07,-1.3,;-1.07,-2.84,;-2.53,-3.31,;-3.44,-2.07,;-2.93,-4.8,;-1.84,-5.89,;-4.42,-5.2,;-4.82,-6.68,)|
Cc1ncc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,1.5,;6.96,2.27,;5.63,1.5,;4.29,2.27,;4.29,3.81,;5.63,4.58,;6.96,3.81,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccnc4[nH]ccc34)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.39,-6.68,;-4.99,-5.2,;-3.51,-4.8,;-2.42,-5.89,;-3.11,-3.31,;-1.64,-2.84,;-1.64,-1.3,;-3.11,-.82,;-2.34,.51,;-3.67,1.28,;-4.44,-.05,;-4.07,2.77,;-3.16,4.02,;-1.62,4.02,;-.85,5.35,;-1.62,6.68,;.69,5.35,;1.59,6.6,;3.06,6.12,;3.06,4.58,;1.59,4.11,;4.39,3.81,;4.39,2.27,;5.72,1.5,;7.06,2.27,;7.06,3.81,;8.2,4.84,;7.57,6.25,;6.04,6.09,;5.72,4.58,;-4.07,5.26,;-5.53,4.79,;-6.87,5.56,;-8.2,4.79,;-8.2,3.25,;-6.87,2.48,;-5.53,3.25,;-4.01,-2.07,)|
CNc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;6.3,2.27,;4.96,1.5,;3.63,2.27,;3.63,3.81,;4.96,4.58,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|
Nc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(69.86,-5.85,;68.46,-6.5,;68.32,-8.04,;66.91,-8.67,;65.66,-7.78,;65.81,-6.25,;67.21,-5.61,;64.56,-5.35,;64.55,-3.82,;63.09,-3.36,;62.2,-4.61,;63.11,-5.84,;60.66,-4.63,;59.89,-3.3,;59.9,-5.96,;58.36,-5.97,;57.44,-4.72,;55.97,-5.21,;54.63,-4.45,;53.31,-5.22,;53.3,-6.76,;54.64,-7.53,;55.98,-6.76,;57.46,-7.23,;57.94,-8.69,;59.31,-9.38,;58.62,-10.76,;57.24,-10.07,;60.12,-11.09,;60.27,-12.63,;58.86,-13.24,;57.84,-12.09,;58.53,-14.75,;59.67,-15.79,;57.07,-15.22,;56.74,-16.72,)|
CNc1cccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;6.3,2.27,;4.96,1.5,;3.63,2.27,;3.63,3.81,;4.96,4.58,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|
CNc1cncc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;6.3,2.27,;4.96,1.5,;3.63,2.27,;3.63,3.81,;4.96,4.58,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|
Nc1cc(ncn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,4.58,;6.96,3.81,;5.63,4.58,;4.29,3.81,;4.29,2.27,;5.63,1.5,;6.96,2.27,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
CNc1cncc(c1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;6.3,2.27,;4.96,1.5,;3.63,2.27,;3.63,3.81,;4.96,4.58,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|
Cc1ccc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,1.5,;6.96,2.27,;6.96,3.81,;5.63,4.58,;4.29,3.81,;4.29,2.27,;5.63,1.5,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
OCc1ccc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,2.27,;7.63,1.5,;6.3,2.27,;6.3,3.81,;4.96,4.58,;3.63,3.81,;3.63,2.27,;4.96,1.5,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|
CNc1cc(ncn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;4.96,4.58,;3.63,3.81,;3.63,2.27,;4.96,1.5,;6.3,2.27,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|
OCc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;4.96,4.58,;3.63,3.81,;3.63,2.27,;4.96,1.5,;6.3,2.27,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|
Cc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,4.58,;6.96,3.81,;5.63,4.58,;4.29,3.81,;4.29,2.27,;5.63,1.5,;6.96,2.27,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
Cc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(71.14,-29.4,;69.74,-30.04,;69.6,-31.58,;68.2,-32.22,;66.94,-31.32,;67.1,-29.79,;68.49,-29.15,;65.84,-28.9,;65.83,-27.36,;64.37,-26.9,;63.48,-28.16,;64.39,-29.38,;61.95,-28.17,;61.17,-26.84,;61.18,-29.51,;59.64,-29.52,;58.73,-28.27,;57.25,-28.76,;55.92,-27.99,;54.59,-28.76,;54.59,-30.31,;55.92,-31.08,;57.26,-30.31,;58.74,-30.78,;59.22,-32.24,;60.6,-32.93,;59.9,-34.31,;58.53,-33.61,;61.4,-34.64,;61.56,-36.17,;60.15,-36.79,;59.12,-35.64,;59.82,-38.29,;60.96,-39.33,;58.35,-38.76,;58.02,-40.26,)|
Cc1cc(ncn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(6.3,-.04,;6.3,1.5,;4.96,2.27,;4.96,3.81,;6.3,4.58,;7.63,3.81,;7.63,2.27,;3.63,4.58,;3.63,6.12,;2.16,6.6,;1.26,5.35,;2.16,4.11,;-.28,5.35,;-1.05,6.68,;-1.05,4.02,;-2.59,4.02,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.5,2.77,;-3.1,1.28,;-1.76,.51,;-2.53,-.82,;-3.87,-.05,;-1.07,-1.3,;-1.07,-2.84,;-2.53,-3.31,;-3.44,-2.07,;-2.93,-4.8,;-1.84,-5.89,;-4.42,-5.2,;-4.82,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cncc4[nH]ccc34)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.39,-6.68,;-4.99,-5.2,;-3.51,-4.8,;-2.42,-5.89,;-3.11,-3.31,;-1.64,-2.84,;-1.64,-1.3,;-3.11,-.82,;-2.34,.51,;-3.67,1.28,;-4.44,-.05,;-4.07,2.77,;-3.16,4.02,;-1.62,4.02,;-.85,5.35,;-1.62,6.68,;.69,5.35,;1.59,6.6,;3.06,6.12,;3.06,4.58,;1.59,4.11,;4.39,3.81,;4.39,2.27,;5.72,1.5,;7.06,2.27,;7.06,3.81,;8.2,4.84,;7.57,6.25,;6.04,6.09,;5.72,4.58,;-4.07,5.26,;-5.53,4.79,;-6.87,5.56,;-8.2,4.79,;-8.2,3.25,;-6.87,2.48,;-5.53,3.25,;-4.01,-2.07,)|
OCC(F)(F)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:10.9,12.12,(-9.48,5.45,;-8.15,4.68,;-6.81,5.45,;-6.04,6.79,;-7.58,6.79,;-5.48,4.68,;-5.48,3.14,;-4.15,2.37,;-2.81,3.14,;-1.35,2.67,;-.95,1.18,;.38,.41,;-.39,-.92,;-1.72,-.15,;1.08,-1.4,;1.08,-2.94,;-.39,-3.41,;-1.29,-2.17,;-.78,-4.9,;.3,-5.99,;-2.27,-5.3,;-2.67,-6.79,;-.44,3.91,;1.1,3.91,;1.87,5.25,;1.1,6.58,;3.41,5.25,;4.31,6.49,;5.78,6.02,;5.78,4.48,;4.31,4,;7.11,3.71,;8.58,4.18,;9.48,2.94,;8.58,1.69,;7.11,2.17,;-1.35,5.16,;-2.81,4.68,;-4.15,5.45,)|
Nc1cncc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,4.58,;6.96,3.81,;6.96,2.27,;5.63,1.5,;4.29,2.27,;4.29,3.81,;5.63,4.58,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|
C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccnc4[nH]ncc34)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.39,-6.68,;-4.99,-5.2,;-3.51,-4.8,;-2.42,-5.89,;-3.11,-3.31,;-1.64,-2.84,;-1.64,-1.3,;-3.11,-.82,;-2.34,.51,;-3.67,1.28,;-4.44,-.05,;-4.07,2.77,;-3.16,4.02,;-1.62,4.02,;-.85,5.35,;-1.62,6.68,;.69,5.35,;1.59,6.6,;3.06,6.12,;3.06,4.58,;1.59,4.11,;4.39,3.81,;4.39,2.27,;5.72,1.5,;7.06,2.27,;7.06,3.81,;8.2,4.84,;7.57,6.25,;6.04,6.09,;5.72,4.58,;-4.07,5.26,;-5.53,4.79,;-6.87,5.56,;-8.2,4.79,;-8.2,3.25,;-6.87,2.48,;-5.53,3.25,;-4.01,-2.07,)|
OCC(F)(F)c1ccc2n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:10.9,wD:12.12,(-9.48,5.45,;-8.15,4.68,;-6.81,5.45,;-6.04,6.79,;-7.58,6.79,;-5.48,4.68,;-5.48,3.14,;-4.15,2.37,;-2.81,3.14,;-1.35,2.67,;-.95,1.18,;.38,.41,;-.39,-.92,;-1.72,-.15,;1.08,-1.4,;1.08,-2.94,;-.39,-3.41,;-1.29,-2.17,;-.78,-4.9,;.3,-5.99,;-2.27,-5.3,;-2.67,-6.79,;-.44,3.91,;1.1,3.91,;1.87,5.25,;1.1,6.58,;3.41,5.25,;4.31,6.49,;5.78,6.02,;5.78,4.48,;4.31,4,;7.11,3.71,;8.58,4.18,;9.48,2.94,;8.58,1.69,;7.11,2.17,;-1.35,5.16,;-2.81,4.68,;-4.15,5.45,)|
Cc1n[nH]cc1-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.26,25.29,(6.97,5.77,;6.58,4.29,;7.48,3.04,;6.58,1.8,;5.11,2.27,;5.11,3.81,;3.78,4.58,;3.78,6.12,;2.31,6.6,;1.41,5.35,;2.31,4.11,;-.13,5.35,;-.9,6.68,;-.9,4.02,;-2.44,4.02,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,)|
C=CC(=O)N1CC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2cnccc12
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ccncc23)c1Cl
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ccncc23)c1F
Fc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ccncc23)c1Cl
COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCN(C3)C(=O)C=C)c3c(C)cncc23)c1F
CCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(OC)c3F)cc2)c2cncc(OC)c12 |r|
COc1cccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C(=O)C(=C\C(C)(C)C)\C#N)c3c(OC)cncc23)c1F
C=CC(=O)N1CCCC(C1)n1nc(-c2ccc(OCc3ccccc3)cc2)c2cnccc12
COc1cc(ccc1-c1nn(C2CCCN(C2)C(=O)C=C)c2ccncc12)N1CCN(C)CC1
COc1cccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C(=O)C(C)O)c3c(OC)cncc23)c1F
COc1cccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C(O)=O)c3c(OC)cncc23)c1F
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccccc1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2nc([nH]c2n1)-c1ccccc1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2c(n[nH]c2n1)-c1ccccc1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2nc[nH]c2n1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cn[nH]c2n1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc[nH]c2n1
Cc1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
CN1CCN(Cc2ccc(cc2)-c2cc3c(nc(N)nc3[nH]2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)CC1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1CC1
Cc1n[nH]c2nc(N)nc(-c3cccc(c3CO)-n3ccc4cc(cc(F)c4c3=O)C3CC3)c12
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc(CO)[nH]c2n1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2nc([nH]c2n1)C1CC1
Cn1cc(cn1)-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
COc1ccccc1-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
COc1cccc(c1)-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
COc1ccc(cc1)-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1cccnc1
COc1cccc(c1)-c1nc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccncc1
COc1ccc(cc1)-c1n[nH]c2nc(N)nc(-c3cccc(c3CO)-n3ccc4cc(cc(F)c4c3=O)C3CC3)c12
COc1ccccc1-c1n[nH]c2nc(N)nc(-c3cccc(c3CO)-n3ccc4cc(cc(F)c4c3=O)C3CC3)c12
COc1cccc(c1)-c1n[nH]c2nc(N)nc(-c3cccc(c3CO)-n3ccc4cc(cc(F)c4c3=O)C3CC3)c12
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCN(CC1)C1COC1 |t:39|
COc1ccccc1-c1nc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2nc([nH]c2n1)-c1cccnc1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(CN2CCOCC2)cc1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(cc1)C#N
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2c(c[nH]c2n1)-c1ccccc1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1cccc(F)c1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc(CNC(=O)C=C)[nH]c2n1
Cn1cc(cn1)-c1nc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccsc1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccccc1F
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(F)cc1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(F)cc1F
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(F)c(F)c1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(cc1)C(F)(F)F
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(OC(F)(F)F)cc1
NCc1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1cccc(c1)C(F)(F)F
CS(=O)(=O)c1ccc(cc1)-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1cccc(F)n1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccnc(F)c1
CC#CC(=O)N1CC2(CC2)CC1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CC2(CC2)CN1C(=O)C=C
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1C2CCCC2CN1C(=O)C=C
CC#CC(=O)N1CC2CCCC2C1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
CC1(C)[C@H]2CN([C@@H]([C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12)C(=O)C=C |r|
CC#CC(=O)N1C[C@H]2[C@@H]([C@H]1c1nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c3c(N)nccn13)C2(C)C |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C12C[C@@H](CN1C(=O)C=C)OCC2 |r|
CC#CC(=O)N1C[C@@H]2CC1(CCO2)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C12COC(CN1C(=O)C=C)C2
CC#CC(=O)N1CC2CC1(CO2)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C12CCC(COC1)N2C(=O)C=C
CC#CC(=O)N1C2CCC1(COC2)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1[C@@H]2CC(CN2)N1C(=O)C=C |r|
CC#CC(=O)N1C2CN[C@@H](C2)C1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CN1CC2C[C@H]1C(N2C(=O)C=C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CC(C)N1CC2C[C@H]1C(N2C(=O)C=C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CC#CC(=O)N1C2C[C@@H](C1c1nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c3c(N)nccn13)N(C2)C(C)C |r|
CC(=O)N1CC2C[C@H]1C(N2C(=O)C=C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1NC2C[C@@H]1N(C2)C(=O)C=C |r|
CC(=O)N1C2C[C@@H](C1c1nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c3c(N)nccn13)N(C2)C(=O)C=C |r|
CC#CC(=O)N1CC2C[C@H]1C(N2)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1[C@H]2CC[C@H](C2)N1C(=O)C=C |r|
CC#CC(=O)N1[C@@H]2CC[C@@H](C2)C1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CC2CC2N1C(=O)C=C
CC#CC(=O)N1C2CC2CC1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1COC2(C1)CCN(CC2)C(=O)C=C
CC#CC(=O)N1CCC2(CC(CO2)c2nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c3c(N)nccn23)CC1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C12CC3CC(CC(C3)(C1)NC(=O)C=C)C2 |TLB:28:29:33:32.27.26,39:25:32:29.28.30,THB:28:27:33:29.39.30,6:25:32:29.28.30,39:29:32:33.25.26|
CC#CC(=O)NC12CC3CC(C1)CC(C3)(C2)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |TLB:9:10:15:7.8.14,9:8:15:10.12.11,16:13:7:10.9.11,THB:12:10:7:15.13.14,12:13:7:10.9.11|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CC11CCN(C1)C(=O)C=C
CC#CC(=O)N1CCC2(CC2c2nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c3c(N)nccn23)C1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C12CC1CCN2C(=O)C=C
CC#CC(=O)N1CCC2CC12c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C12CCC1CN(C2)C(=O)C=C
CC#CC(=O)N1CC2CCC2(C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CC2(CN1C(=O)C=C)CCNCC2
CC#CC(=O)N1CC2(CC1c1nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c3c(N)nccn13)CCNCC2
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@]12COCC1CN(C2)C(=O)C=C |r|
CC#CC(=O)N1CC2COC[C@@]2(C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CC#CC(=O)N1CC2(CC2)CC1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C1CC2(CC2)CN1C(=O)C=C
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C1C2CCCC2CN1C(=O)C=C
CC#CC(=O)N1CC2CCCC2C1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
CC1(C)[C@H]2CN(C([C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(=O)C=C |r|
CC#CC(=O)N1C[C@H]2[C@@H](C1c1nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c3c(N)nccn13)C2(C)C |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C1[C@H]2CCC(C2)N1C(=O)C=C |r|
CC#CC(=O)N1C2CC[C@@H](C2)C1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(COC1)N2C(=O)C=C
CC#CC(=O)N1C2CCC1(COC2)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C1CC2CC2N1C(=O)C=C
CC#CC(=O)N1C2CC2CC1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C1[C@@H]2CC(CN2)N1C(=O)C=C |r|
CC#CC(=O)N1C2CN[C@@H](C2)C1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CN1CC2C[C@H]1C(N2C(=O)C=C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC(C)N1CC2C[C@H]1C(N2C(=O)C=C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC(=O)N1CC2C[C@H]1C(N2C(=O)C=C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC#CC(=O)N1C2C[C@@H](C1c1nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c3c(N)nccn13)N(C2)C(C)C |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CC1CCN2C(=O)C=C
CC#CC(=O)N1CCC2CC12c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3[C@@H]4[C@H](CN3C(=O)C=C)C4(C)C)n3ccnc(N)c23)c1 |r|
CC#CC(=O)N1C[C@H]2[C@@H]([C@H]1c1nc(-c3ccc(cc3)C(=O)Nc3cc(C)ccn3)c3c(N)nccn13)C2(C)C |r|
Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc(C3[C@H]4CCC(C4)N3C(=O)C=C)n3ccnc(N)c23)c1 |r|
CC#CC(=O)N1C2CC[C@@H](C2)C1c1nc(-c2ccc(cc2)C(=O)Nc2cc(C)ccn2)c2c(N)nccn12 |r|
Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc(C3CC4CC4N3C(=O)C=C)n3ccnc(N)c23)c1
CC#CC(=O)N1C2CC2CC1c1nc(-c2ccc(cc2)C(=O)Nc2cc(C)ccn2)c2c(N)nccn12
Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc(C3[C@@H]4CC(CN4)N3C(=O)C=C)n3ccnc(N)c23)c1 |r|
CC#CC(=O)N1C2CN[C@@H](C2)C1c1nc(-c2ccc(cc2)C(=O)Nc2cc(C)ccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(Cl)ccn3)c12)C1C2CCCC2CN1C(=O)C=C
CC1(C)[C@H]2CN([C@@H]([C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(Cl)ccn2)c2c(N)nccn12)C(=O)C=C |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(Cl)ccn3)c12)C1[C@H]2CCC(C2)N1C(=O)C=C |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(Cl)ccn3)c12)C1CC2CC2N1C(=O)C=C
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(Cl)ccn3)c12)C1[C@@H]2CC(CN2)N1C(=O)C=C |r|
CC#CC(=O)N1C2CC2CC1c1nc(-c2ccc(cc2)C(=O)Nc2cc(Cl)ccn2)c2c(N)nccn12
CC(O)(c1ccccc1)c1ccc(cc1)-c1nc(C2CC3(CC3)CN2C(=O)C=C)n2ccnc(N)c12
CC(O)(c1ccccc1)c1ccc(cc1)-c1nc([C@@H]2[C@@H]3[C@H](CN2C(=O)C=C)C3(C)C)n2ccnc(N)c12 |r|
CC#CC(=O)N1C[C@H]2[C@@H]([C@H]1c1nc(-c3ccc(cc3)C(C)(O)c3ccccc3)c3c(N)nccn13)C2(C)C |r|
CC(O)(c1ccccc1)c1ccc(cc1)-c1nc(C2C3CCCC3CN2C(=O)C=C)n2ccnc(N)c12
CC#CC(=O)N1CC2CCCC2C1c1nc(-c2ccc(cc2)C(C)(O)c2ccccc2)c2c(N)nccn12
CC(O)(c1ccccc1)c1ccc(cc1)-c1nc(C2[C@H]3CCC(C3)N2C(=O)C=C)n2ccnc(N)c12 |r|
CC#CC(=O)N1C2CC[C@@H](C2)C1c1nc(-c2ccc(cc2)C(C)(O)c2ccccc2)c2c(N)nccn12 |r|
CC(O)(c1ccccc1)c1ccc(cc1)-c1nc(C2CC3CC3N2C(=O)C=C)n2ccnc(N)c12
CC#CC(=O)N1C2CC2CC1c1nc(-c2ccc(cc2)C(C)(O)c2ccccc2)c2c(N)nccn12
CC#CC(=O)N1CCC2CC12c1nc(-c2ccc(cc2)C(C)(O)c2ccccc2)c2c(N)nccn12
CC(O)(c1ccccc1)c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(COC1)N2C(=O)C=C
CC#CC(=O)N1C2CCC1(COC2)c1nc(-c2ccc(cc2)C(C)(O)c2ccccc2)c2c(N)nccn12
CC(O)(c1ccccc1)c1ccc(cc1)-c1nc(C2[C@@H]3CC(CN3)N2C(=O)C=C)n2ccnc(N)c12 |r|
CC#CC(=O)N1C2CN[C@@H](C2)C1c1nc(-c2ccc(cc2)C(C)(O)c2ccccc2)c2c(N)nccn12 |r|
CN1CC2C[C@H]1C(N2C(=O)C=C)c1nc(-c2ccc(cc2)C(C)(O)c2ccccc2)c2c(N)nccn12 |r|
CC(C)N1CC2C[C@H]1C(N2C(=O)C=C)c1nc(-c2ccc(cc2)C(C)(O)c2ccccc2)c2c(N)nccn12 |r|
CC(=O)N1CC2C[C@H]1C(N2C(=O)C=C)c1nc(-c2ccc(cc2)C(C)(O)c2ccccc2)c2c(N)nccn12 |r|
CC#CC(=O)N1C2C[C@@H](C1c1nc(-c3ccc(cc3)C(C)(O)c3ccccc3)c3c(N)nccn13)N(C2)C(C)C |r|
CC#CC(=O)N1CC2(CC2)CC1c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12
Cc1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1C2CCCC2CN1C(=O)C=C
CC#CC(=O)N1CC2CCCC2C1c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1[C@H]2CCC(C2)N1C(=O)C=C |r|
CC#CC(=O)N1C2CC[C@@H](C2)C1c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC2CC2N1C(=O)C=C
CC#CC(=O)N1C2CC2CC1c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)C12CC1CCN2C(=O)C=C
CC#CC(=O)N1CCC2CC12c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)C12CCC(COC1)N2C(=O)C=C
CC#CC(=O)N1C2CCC1(COC2)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1[C@@H]2CC(CN2)N1C(=O)C=C |r|
CC#CC(=O)N1C2CN[C@@H](C2)C1c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12 |r|
CN1CC2C[C@H]1C(N2C(=O)C=C)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12 |r|
CC(C)N1CC2C[C@H]1C(N2C(=O)C=C)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12 |r|
CC(=O)N1CC2C[C@H]1C(N2C(=O)C=C)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12 |r|
CC#CC(=O)N1C2C[C@@H](C1c1nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn13)N(C2)C(C)C |r|
CN(C)C\C=C\C(=O)N1CC2(CC2)C[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CN(C)C\C=C\C(=O)N1CC2CCCC2[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CN(C\C=C\C(=O)N1CC2(CC2)C[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12)C1CC1 |r|
CN(C\C=C\C(=O)N1CC2CCCC2[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12)C1CC1 |r|
CC(C)\C=C(\C#N)C(=O)N1CC2(CC2)C[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CC(C)\C=C(\C#N)C(=O)N1CC2CCCC2[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@H]1CC2CCC1N2C(=O)C=C |r,THB:32:31:28.29:26.25|
CC#CC(=O)N1C2CCC1[C@H](C2)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r,TLB:3:5:7.8:11.10|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C12CCC(CC1)CN2C(=O)C=C |(2.67,-3.58,;3.7,-2.43,;5.2,-2.75,;6.23,-1.61,;5.76,-.14,;4.25,.18,;3.48,1.51,;1.98,1.19,;1.81,-.34,;.48,-1.11,;.48,-2.65,;-.85,-3.42,;-2.19,-2.65,;-2.19,-1.11,;-.85,-.34,;-3.52,-3.42,;-3.52,-4.96,;-4.85,-2.65,;-6.19,-3.42,;-6.19,-4.96,;-7.52,-5.73,;-8.85,-4.96,;-8.85,-3.42,;-7.52,-2.65,;3.22,-.97,;4.11,2.92,;3.2,4.16,;3.83,5.57,;5.36,5.73,;5.35,4.16,;3.87,4.49,;6.27,4.49,;5.64,3.08,;6.54,1.83,;5.85,.46,;8.08,1.83,;8.85,.5,)|
CC#CC(=O)N1CC2CCC1(CC2)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C12CCC(CN1C(=O)C=C)C2
CC#CC(=O)N1CC2CCC1(C2)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Nc1nccn2c(nc(-c3cccc(c3)C(=O)Nc3ccccn3)c12)C1CC2(CC2)CN1C(=O)C=C
Nc1nccn2c(nc(-c3ccccc3C(=O)Nc3ccccn3)c12)C1CC2(CC2)CN1C(=O)C=C
CC1CN([C@@H](C)C(N1C(=O)C=C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12)C(=O)OC(C)(C)C |r|
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(C1)C(=O)C=C
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4cccc(F)c4F)cc3)c12)[C@H]1CCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2c(nn(-c3ccc(Oc4c(F)cccc4F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3c(F)cccc3F)cc2)c2c(N)n[nH]c(=O)c12 |r|
CC#CC(=O)N1CCC(C1)c1cn(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4ccccc4F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2c(nn(-c3ccc(Oc4cc(F)cc(F)c4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CCC[C@H](C1)c1cn(-c2ccc(Oc3c(F)cccc3F)cc2)c2c(N)n[nH]c(=O)c12 |r|
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4c(F)cccc4F)cc3)c12)C1CCN(C1)C(=O)C=C
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4cccc(F)c4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2c(nn(-c3ccc(Oc4ccccc4F)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CCC[C@@H](C1)c1cn(-c2ccc(Oc3c(F)cccc3F)cc2)c2c(N)n[nH]c(=O)c12 |r|
CC#CC(=O)N1CCC(C1)c1cn(-c2ccc(Oc3c(F)cccc3F)cc2)c2c(N)n[nH]c(=O)c12
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4c(F)cccc4F)cc3)c12)[C@H]1CCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2c(nn(-c3ccc(Oc4cccc(F)c4F)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2c(nn(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(C1)C(=O)C=C
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4ccc(F)cc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2c(nn(-c3ccc(Oc4c(F)cccc4F)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C |r|
COC\C=C\C(=O)N1CC[C@H](C1)c1cn(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12 |r|
CC#CC(=O)N1CCC(C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4cccc(F)c4F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12 |r|
COC\C=C\C(=O)N1CC[C@H](C1)c1cn(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12 |r|
Nc1n[nH]c(=O)c2c(nn(-c3ccc(Oc4c(F)cccc4F)cc3)c12)C1CCN(C1)C(=O)C=C
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4c(F)cccc4F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CC[C@@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12 |r|
CN(C)C\C=C\C(=O)N1CC[C@H](C1)c1cn(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12 |r|
CC#CC(=O)N1CCC(C1)c1nn(-c2ccc(Oc3c(F)cccc3F)cc2)c2c(N)n[nH]c(=O)c12
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4cc(F)cc(F)c4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CC[C@H](C1)c1cn(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12 |r|
CN(C)C\C=C\C(=O)N1CC[C@H](C1)c1cn(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12 |r|
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4ccccc4F)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CC[C@@H](C1)c1cn(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12 |r|
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCN(C1)C(=O)\C=C\[C@H]1CCN1 |r|
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4cccc(F)c4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12 |r|
COC\C=C\C(=O)N1CCC[C@H](C1)c1cn(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12 |r|
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4cccc(F)c4F)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CCC[C@H](C1)c1cn(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12 |r|
COC\C=C\C(=O)N1CCC[C@H](C1)c1cn(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12 |r|
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4c(F)cccc4F)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CCC[C@@H](C1)c1cn(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12 |r|
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)c1cn(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12 |r|
Nc1n[nH]c(=O)c2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4cc(F)cc(F)c4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12 |r|
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)c1cn(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12 |r|
Nc1n[nH]c(=O)c2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2c(nn(-c3ccc(Oc4ccccc4F)cc3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CC[C@@H](C1)c1nn(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12 |r|
CN1CC[C@@H]1\C=C\C(=O)N1CCC[C@H](C1)c1cn(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12 |r|
Nc1n[nH]c(=O)c2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2c(nn(-c3ccc(Oc4cccc(F)c4F)cc3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CC[C@H](C1)c1cn(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12 |r|
CCN1CC[C@@H]1\C=C\C(=O)N1CCC[C@H](C1)c1cn(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12 |r|
Nc1n[nH]c(=O)c2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2c(nn(-c3ccc(Oc4cc(F)cc(F)c4)cc3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CC[C@@H](C1)c1cn(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12 |r|
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4ccccc4F)cc3)c12)C1CN(C1)C(=O)C=C
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4ccccc4F)cc3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2c(nn(-c3ccc(Oc4ccccc4F)cc3)c12)[C@H]1CCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12 |r|
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(CC1)C(=O)C=C
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4cccc(F)c4)cc3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2c(nn(-c3ccc(Oc4cccc(F)c4F)cc3)c12)[C@H]1CCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CCC[C@H](C1)c1cn(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12 |r|
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4ccccc4F)cc3)c12)C1CCN(CC1)C(=O)C=C
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4c(F)cccc4F)cc3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2c(nn(-c3ccc(Oc4c(F)cccc4F)cc3)c12)[C@H]1CCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CCC[C@@H](C1)c1cn(-c2ccc(Oc3ccccc3F)cc2)c2c(N)n[nH]c(=O)c12 |r|
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4ccccc4)cc3)c12)C1CN(C1)C(=O)C=C
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4cc(F)cc(F)c4)cc3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2c(nn(-c3ccc(Oc4cc(F)cc(F)c4)cc3)c12)[C@H]1CCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CC[C@@H](C1)c1nn(-c2ccc(Oc3c(F)cccc3F)cc2)c2c(N)n[nH]c(=O)c12 |r|
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4ccccc4F)cc3)c12)[C@H]1CCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2c(nn(-c3ccc(Oc4ccccc4F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CC[C@H](C1)c1cn(-c2ccc(Oc3c(F)cccc3F)cc2)c2c(N)n[nH]c(=O)c12 |r|
Nc1n[nH]c(=O)c2c(cn(-c3ccc(Oc4cccc(F)c4)cc3)c12)[C@H]1CCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2c(nn(-c3ccc(Oc4cccc(F)c4F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CC[C@@H](C1)c1cn(-c2ccc(Oc3c(F)cccc3F)cc2)c2c(N)n[nH]c(=O)c12 |r|
O[C@H]1CN(CC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23)C(=O)C=C |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4C[C@@H](O)CN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:27.29,wD:25.26,(-1.73,4.27,;-3.06,3.5,;-4.4,4.27,;-5.73,3.5,;-7.06,4.27,;-8.4,3.5,;-8.4,1.96,;-9.73,1.19,;-11.07,1.96,;-11.07,3.5,;-9.73,4.27,;-5.73,1.96,;-4.4,1.19,;-3.06,1.96,;-1.73,1.19,;-1.73,-.35,;-3.06,-1.12,;-3.06,-2.66,;-1.73,-3.43,;-.4,-2.66,;1.09,-3.06,;1.92,-1.6,;3.4,-1.6,;4.17,-2.94,;4.17,-.27,;5.67,-.27,;6.44,1.06,;7.98,1.06,;8.76,2.4,;8.76,-.27,;7.98,-1.6,;6.44,-1.6,;8.76,-2.94,;7.98,-4.27,;10.3,-2.94,;11.07,-1.6,;.94,-.35,;.94,1.19,;-.4,1.96,;-.4,3.5,;-.4,-1.12,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4C[C@@H](F)CN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:27.29,wD:25.26,(-1.7,4.23,;-3.03,3.46,;-4.37,4.23,;-5.7,3.46,;-7.03,4.23,;-8.37,3.46,;-8.37,1.92,;-9.7,1.15,;-11.04,1.92,;-11.04,3.46,;-9.7,4.23,;-5.7,1.92,;-4.37,1.15,;-3.03,1.92,;-1.7,1.15,;-1.7,-.39,;-3.03,-1.16,;-3.03,-2.7,;-1.7,-3.47,;-.37,-2.7,;1,-3.23,;2.03,-1.56,;3.43,-1.56,;4.2,-2.9,;4.2,-.23,;5.68,-.23,;6.45,1.1,;7.99,1.1,;8.76,2.44,;8.76,-.23,;7.99,-1.56,;6.45,-1.56,;8.76,-2.9,;7.99,-4.23,;10.27,-2.9,;11.04,-1.56,;.97,-.39,;.97,1.15,;-.37,1.92,;-.37,3.46,;-.37,-1.16,)|
Cc1c(F)c(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:26.27,(-1.7,3.46,;-3.03,2.69,;-4.37,3.46,;-4.37,5,;-5.7,2.69,;-7.03,3.46,;-8.37,2.69,;-8.37,1.15,;-9.7,.38,;-11.04,1.15,;-11.04,2.69,;-9.7,3.46,;-5.7,1.15,;-4.37,.38,;-3.03,1.15,;-1.7,.38,;-1.7,-1.16,;-3.03,-1.93,;-3.03,-3.47,;-1.7,-4.24,;-.37,-3.47,;1,-4,;2.03,-2.33,;3.43,-2.33,;4.2,-3.67,;4.2,-1,;5.68,-1,;6.45,.33,;7.99,.33,;8.76,-1,;7.99,-2.33,;6.45,-2.33,;8.76,-3.67,;7.99,-5,;10.27,-3.67,;11.04,-2.33,;.97,-1.16,;.97,.38,;-.37,1.15,;-.37,2.69,;-.37,-1.93,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.55,3.85,;-2.89,3.08,;-4.22,3.85,;-5.55,3.08,;-6.89,3.85,;-8.22,3.08,;-8.22,1.54,;-9.55,.77,;-10.89,1.54,;-10.89,3.08,;-9.55,3.85,;-5.55,1.54,;-4.22,.77,;-2.89,1.54,;-1.55,.77,;-1.55,-.77,;-2.89,-1.54,;-2.89,-3.08,;-1.55,-3.85,;-.22,-3.08,;1.09,-3.6,;2.22,-2.02,;3.58,-2.02,;4.35,-3.36,;4.35,-.69,;5.85,-.69,;6.76,.56,;8.22,.08,;8.22,-1.46,;6.76,-1.93,;9.55,-2.23,;9.55,-3.77,;10.89,-1.46,;10.89,.08,;1.11,-.77,;1.11,.77,;-.22,1.54,;-.22,3.08,;-.22,-1.54,)|
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2sc3nccc4n(-c5ccc(Oc6ccccc6)cc5)c(=O)[nH]c2c34)[C@H](O)C1 |r|
O[C@H]1CNCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4COC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-.86,6.18,;-2.19,5.41,;-3.52,6.18,;-4.86,5.41,;-6.19,6.18,;-7.52,5.41,;-8.86,6.18,;-10.19,5.41,;-10.19,3.87,;-8.86,3.1,;-7.52,3.87,;-4.86,3.87,;-3.52,3.1,;-2.19,3.87,;-.86,3.1,;-.86,1.56,;-2.19,.79,;-2.19,-.75,;-.86,-1.52,;.48,-.75,;1.96,-1.15,;2.9,.47,;4.44,.47,;5.21,1.81,;5.21,-.86,;6.75,-.86,;7.66,.38,;9.12,-.09,;9.12,-1.63,;7.66,-2.11,;7.18,-3.57,;8.21,-4.72,;7.73,-6.18,;9.72,-4.4,;10.19,-2.93,;1.81,1.56,;1.81,3.1,;.48,3.87,;.48,5.41,;.48,.79,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.95,4.3,;-3.29,3.53,;-4.62,4.3,;-5.95,3.53,;-7.29,4.3,;-8.62,3.53,;-9.96,4.3,;-11.29,3.53,;-11.29,1.99,;-9.96,1.22,;-8.62,1.99,;-5.95,1.99,;-4.62,1.22,;-3.29,1.99,;-1.95,1.22,;-1.95,-.32,;-3.29,-1.09,;-3.29,-2.63,;-1.95,-3.4,;-.62,-2.63,;.71,-3.4,;2.05,-1.63,;3.59,-1.63,;4.36,-.3,;4.36,-2.96,;5.9,-2.96,;6.67,-4.3,;8.21,-4.3,;8.98,-2.96,;8.21,-1.63,;6.67,-1.63,;8.98,-.3,;8.21,1.04,;10.52,-.3,;11.29,-1.63,;.71,-.32,;.71,1.22,;-.62,1.99,;-.62,3.53,;-.62,-1.09,)|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-4.14,.21,;-4.14,1.75,;-5.47,2.52,;-5.47,4.06,;-6.81,4.83,;-8.14,4.06,;-8.14,2.52,;-9.48,1.75,;-10.81,2.52,;-10.81,4.06,;-9.48,4.83,;-4.14,4.83,;-2.81,4.06,;-2.81,2.52,;-1.47,1.75,;-1.47,.21,;-2.81,-.56,;-2.81,-2.1,;-1.47,-2.87,;-.14,-2.1,;1.35,-2.5,;2.34,-.82,;3.88,-.82,;4.65,-2.16,;4.65,.51,;6.19,.51,;6.96,1.84,;8.5,1.84,;9.27,.51,;8.5,-.82,;6.96,-.82,;9.27,-2.16,;10.81,-2.16,;8.5,-3.49,;9.27,-4.83,;1.19,.21,;1.19,1.75,;-.14,2.52,;-.14,4.06,;-.14,-.56,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.78,4.25,;-3.11,3.48,;-4.44,4.25,;-5.78,3.48,;-7.11,4.25,;-8.44,3.48,;-9.78,4.25,;-11.11,3.48,;-11.11,1.94,;-9.78,1.17,;-8.44,1.94,;-5.78,1.94,;-4.44,1.17,;-3.11,1.94,;-1.78,1.17,;-1.78,-.37,;-3.11,-1.14,;-3.11,-2.68,;-1.78,-3.45,;-.44,-2.68,;.89,-3.45,;2.23,-1.67,;3.77,-1.67,;4.54,-.34,;4.54,-3.01,;6.08,-3.01,;6.98,-4.25,;8.44,-3.78,;8.44,-2.24,;6.98,-1.76,;9.78,-1.47,;9.78,.07,;11.11,-2.24,;11.11,-3.78,;.89,-.37,;.89,1.17,;-.44,1.94,;-.44,3.48,;-.44,-1.14,)|
Clc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.78,4.25,;-3.11,3.48,;-4.44,4.25,;-5.78,3.48,;-7.11,4.25,;-8.44,3.48,;-9.78,4.25,;-11.11,3.48,;-11.11,1.94,;-9.78,1.17,;-8.44,1.94,;-5.78,1.94,;-4.44,1.17,;-3.11,1.94,;-1.78,1.17,;-1.78,-.37,;-3.11,-1.14,;-3.11,-2.68,;-1.78,-3.45,;-.44,-2.68,;.89,-3.45,;2.23,-1.67,;3.77,-1.67,;4.54,-.34,;4.54,-3.01,;6.08,-3.01,;6.98,-4.25,;8.44,-3.78,;8.44,-2.24,;6.98,-1.76,;9.78,-1.47,;9.78,.07,;11.11,-2.24,;11.11,-3.78,;.89,-.37,;.89,1.17,;-.44,1.94,;-.44,3.48,;-.44,-1.14,)|
Cc1nc(OC2CCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:23.24,(-4.48,1.69,;-4.48,3.23,;-5.81,4,;-5.81,5.54,;-7.14,6.31,;-8.48,5.54,;-9.97,5.93,;-10.36,4.45,;-8.88,4.05,;-4.48,6.31,;-3.14,5.54,;-3.14,4,;-1.81,3.23,;-1.81,1.69,;-3.14,.92,;-3.14,-.62,;-1.81,-1.39,;-.48,-.62,;.99,-1.1,;1.89,.36,;3.43,.36,;4.2,1.7,;4.2,-.97,;5.74,-.97,;6.51,.36,;8.05,.36,;8.82,-.97,;8.05,-2.3,;6.51,-2.3,;8.82,-3.64,;10.36,-3.64,;8.05,-4.97,;8.82,-6.31,;.86,1.69,;.86,3.23,;-.48,4,;-.48,5.54,;-.48,.92,)|
CO[C@H]1C[C@H](CN(C1)C(=O)C=C)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:4.12,2.1,(8.21,3.71,;8.98,2.37,;8.21,1.04,;6.67,1.04,;5.9,-.3,;6.67,-1.63,;8.21,-1.63,;8.98,-.3,;8.98,-2.96,;8.21,-4.3,;10.52,-2.96,;11.29,-1.63,;4.36,-.3,;3.59,-1.63,;4.36,-2.96,;2.05,-1.63,;.71,-3.4,;-.62,-2.63,;-1.95,-3.4,;-3.29,-2.63,;-3.29,-1.09,;-1.95,-.32,;-1.95,1.22,;-3.29,1.99,;-4.62,1.22,;-5.95,1.99,;-5.95,3.53,;-7.29,4.3,;-8.62,3.53,;-9.96,4.3,;-11.29,3.53,;-11.29,1.99,;-9.96,1.22,;-8.62,1.99,;-4.62,4.3,;-3.29,3.53,;-1.95,4.3,;-.62,1.99,;-.62,3.53,;.71,1.22,;.71,-.32,;-.62,-1.09,)|
Clc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.95,3.85,;-3.29,3.08,;-4.62,3.85,;-5.95,3.08,;-7.29,3.85,;-8.62,3.08,;-9.95,3.85,;-11.29,3.08,;-11.29,1.54,;-9.95,.77,;-8.62,1.54,;-5.95,1.54,;-4.62,.77,;-3.29,1.54,;-1.95,.77,;-1.95,-.77,;-3.29,-1.54,;-3.29,-3.08,;-1.95,-3.85,;-.62,-3.08,;.72,-3.85,;2.05,-2.07,;3.59,-2.07,;4.36,-3.41,;4.36,-.74,;5.9,-.74,;6.67,-2.07,;8.21,-2.07,;8.98,-.74,;8.21,.59,;6.67,.59,;8.98,1.93,;8.21,3.26,;10.52,1.93,;11.29,.59,;.72,-.77,;.72,.77,;-.62,1.54,;-.62,3.08,;-.62,-1.54,)|
Cc1cc(Oc2cccc3ccoc23)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:28.30,(-1.38,3.46,;-2.71,2.69,;-4.05,3.46,;-5.38,2.69,;-6.72,3.46,;-8.05,2.69,;-8.05,1.15,;-9.38,.38,;-10.72,1.15,;-10.72,2.69,;-11.86,3.72,;-11.23,5.13,;-9.7,4.97,;-9.38,3.46,;-5.38,1.15,;-4.05,.38,;-2.71,1.15,;-1.38,.38,;-1.38,-1.16,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.24,;-.05,-3.47,;1.29,-4.24,;2.62,-2.46,;4.16,-2.46,;4.93,-3.8,;4.93,-1.13,;6.47,-1.13,;7.24,.2,;8.78,.2,;9.55,-1.13,;8.78,-2.46,;7.24,-2.46,;9.55,-3.8,;8.78,-5.13,;11.09,-3.8,;11.86,-2.46,;1.29,-1.16,;1.29,.38,;-.05,1.15,;-.05,2.69,;-.05,-1.93,)|
Cc1cc(Oc2c(F)cccc2F)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:27.28,(-1.78,3.08,;-3.11,2.31,;-4.44,3.08,;-5.78,2.31,;-7.11,3.08,;-8.44,2.31,;-9.78,3.08,;-9.78,4.62,;-11.11,2.31,;-11.11,.77,;-9.78,,;-8.44,.77,;-7.11,,;-5.78,.77,;-4.44,,;-3.11,.77,;-1.78,,;-1.78,-1.54,;-3.11,-2.31,;-3.11,-3.85,;-1.78,-4.62,;-.44,-3.85,;.89,-4.62,;2.22,-2.84,;3.76,-2.84,;4.53,-4.18,;4.53,-1.51,;6.07,-1.51,;6.98,-.27,;8.44,-.74,;8.44,-2.28,;6.98,-2.76,;9.78,-3.05,;9.78,-4.59,;11.11,-2.28,;11.11,-.74,;.89,-1.54,;.89,,;-.44,.77,;-.44,2.31,;-.44,-2.31,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC(=O)C4CCCN(C4)C(=O)C(=C\C(C)(C)C)\C#N)c([nH]c1=O)c23 |(-3.34,3.6,;-4.68,2.83,;-6.01,3.6,;-7.34,2.83,;-8.68,3.6,;-10.01,2.83,;-11.35,3.6,;-12.68,2.83,;-12.68,1.29,;-11.35,.52,;-10.01,1.29,;-7.34,1.29,;-6.01,.52,;-4.68,1.29,;-3.34,.52,;-3.34,-1.02,;-4.68,-1.79,;-4.68,-3.33,;-3.34,-4.1,;-2.01,-3.33,;-.55,-3.81,;.36,-2.56,;1.9,-2.56,;2.67,-1.23,;1.9,.1,;4.21,-1.23,;4.98,-2.56,;6.52,-2.56,;7.29,-1.23,;6.52,.1,;4.98,.1,;7.29,1.44,;6.52,2.77,;8.83,1.44,;9.6,2.77,;11.14,2.77,;11.91,1.44,;11.91,4.1,;12.68,2.77,;9.6,.1,;10.37,-1.23,;-.68,-1.02,;-.68,.52,;-2.01,1.29,;-2.01,2.83,;-2.01,-1.79,)|
Cc1cc(Oc2ccccc2)cc(F)c1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:26.27,(-1.95,4.3,;-3.29,3.53,;-4.62,4.3,;-5.95,3.53,;-7.29,4.3,;-8.62,3.53,;-9.95,4.3,;-11.29,3.53,;-11.29,1.99,;-9.95,1.22,;-8.62,1.99,;-5.95,1.99,;-4.62,1.22,;-4.62,-.32,;-3.29,1.99,;-1.95,1.22,;-1.95,-.32,;-3.29,-1.09,;-3.29,-2.63,;-1.95,-3.4,;-.62,-2.63,;.72,-3.4,;2.05,-1.63,;3.59,-1.63,;4.36,-.3,;4.36,-2.96,;5.9,-2.96,;6.67,-4.3,;8.21,-4.3,;8.98,-2.96,;8.21,-1.63,;6.67,-1.63,;8.98,-.3,;8.21,1.04,;10.52,-.3,;11.29,-1.63,;.72,-.32,;.72,1.22,;-.62,1.99,;-.62,3.53,;-.62,-1.09,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4(C)COC4)\C#N)c([nH]c1=O)c23 |r,wU:25.26,(-3.81,3.48,;-5.15,2.71,;-6.48,3.48,;-7.81,2.71,;-9.15,3.48,;-10.48,2.71,;-11.81,3.48,;-13.15,2.71,;-13.15,1.17,;-11.81,.4,;-10.48,1.17,;-7.81,1.17,;-6.48,.4,;-5.15,1.17,;-3.81,.4,;-3.81,-1.14,;-5.15,-1.91,;-5.15,-3.45,;-3.81,-4.22,;-2.48,-3.45,;-1.14,-4.22,;.19,-2.45,;1.73,-2.45,;2.5,-3.78,;2.5,-1.11,;4.04,-1.11,;4.81,-2.45,;6.35,-2.45,;7.12,-1.11,;6.35,.22,;4.81,.22,;7.12,1.55,;6.35,2.89,;8.66,1.55,;9.43,2.89,;10.97,2.89,;10.2,4.22,;12.06,1.8,;13.15,2.89,;12.06,3.98,;9.43,.22,;10.2,-1.11,;-1.14,-1.14,;-1.14,.4,;-2.48,1.17,;-2.48,2.71,;-2.48,-1.91,)|
Cc1cc(Oc2cccc3ccoc23)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:28.30,(-1.2,3.02,;-2.54,2.25,;-3.87,3.02,;-5.21,2.25,;-6.54,3.02,;-7.87,2.25,;-7.87,.71,;-9.21,-.06,;-10.54,.71,;-10.54,2.25,;-11.68,3.28,;-11.06,4.68,;-9.53,4.52,;-9.21,3.02,;-5.21,.71,;-3.87,-.06,;-2.54,.71,;-1.2,-.06,;-1.2,-1.6,;-2.54,-2.37,;-2.54,-3.91,;-1.2,-4.68,;.13,-3.91,;1.46,-4.68,;2.8,-2.91,;4.34,-2.91,;5.11,-4.24,;5.11,-1.57,;6.65,-1.57,;7.55,-.33,;9.02,-.8,;9.02,-2.34,;7.55,-2.82,;10.35,-3.11,;10.35,-4.65,;11.68,-2.34,;11.68,-.8,;1.46,-1.6,;1.46,-.06,;.13,.71,;.13,2.25,;.13,-2.37,)|
CNC\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:11.13,(13.21,-1.63,;11.67,-1.63,;10.9,-2.96,;9.36,-2.96,;8.59,-4.3,;7.05,-4.3,;6.28,-5.63,;6.28,-2.96,;7.05,-1.63,;6.28,-.3,;4.74,-.3,;3.97,-1.63,;4.74,-2.96,;2.43,-1.63,;1.66,-.3,;2.43,1.04,;.12,-.3,;-1.21,-2.07,;-2.54,-1.3,;-3.88,-2.07,;-5.21,-1.3,;-5.21,.24,;-3.88,1.01,;-3.88,2.55,;-5.21,3.32,;-6.54,2.55,;-7.88,3.32,;-7.88,4.86,;-9.21,5.63,;-10.55,4.86,;-11.88,5.63,;-13.21,4.86,;-13.21,3.32,;-11.88,2.55,;-10.55,3.32,;-6.54,5.63,;-5.21,4.86,;-3.88,5.63,;-2.54,3.32,;-2.54,4.86,;-1.21,2.55,;-1.21,1.01,;-2.54,.24,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccc(COc6ccccc6C#N)c5)cc4C)c(=O)[nH]c1c23 |r,wD:5.7,(13.46,-2.28,;12.32,-1.25,;12.64,.26,;11.49,1.29,;10.03,.81,;9.71,-.69,;10.85,-1.72,;8.24,-1.17,;7.92,-2.68,;9.07,-3.71,;6.46,-3.15,;5.98,-4.62,;4.44,-4.62,;2.98,-5.45,;1.52,-4.6,;1.19,-2.99,;2.54,-2.25,;2.54,-.71,;1.21,.06,;1.21,1.6,;-.12,2.37,;-1.46,1.6,;-2.79,2.37,;-4.12,1.6,;-4.12,.06,;-5.46,-.71,;-6.79,.06,;-6.79,1.6,;-8.13,2.37,;-9.46,1.6,;-10.79,2.37,;-12.13,1.6,;-13.46,2.37,;-13.46,3.91,;-12.13,4.68,;-10.79,3.91,;-9.46,4.68,;-8.13,5.45,;-5.46,2.37,;-1.46,.06,;-.12,-.71,;-.12,-2.25,;3.88,.06,;3.88,1.6,;5.21,-.71,;5.21,-2.25,;3.97,-3.15,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\CO)c([nH]c1=O)c23 |r,wU:25.26,(-2.83,3.49,;-4.16,2.72,;-5.49,3.49,;-6.83,2.72,;-8.16,3.49,;-9.49,2.72,;-10.83,3.49,;-12.16,2.72,;-12.16,1.18,;-10.83,.41,;-9.49,1.18,;-6.83,1.18,;-5.49,.41,;-4.16,1.18,;-2.83,.41,;-2.83,-1.13,;-4.16,-1.9,;-4.16,-3.44,;-2.83,-4.21,;-1.49,-3.44,;-.16,-4.21,;.61,-2.46,;2.15,-2.46,;2.92,-3.79,;2.92,-1.13,;4.46,-1.13,;5.23,-2.46,;6.77,-2.46,;7.54,-1.13,;6.77,.21,;5.23,.21,;7.54,1.54,;6.77,2.87,;9.08,1.54,;9.85,2.87,;11.39,2.87,;12.16,4.21,;-.16,-1.13,;-.16,.41,;-1.49,1.18,;-1.49,2.72,;-1.49,-1.9,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC(=O)C4CCN(CC4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |(-3.58,4.47,;-4.92,3.7,;-6.25,4.47,;-7.58,3.7,;-8.92,4.47,;-10.25,3.7,;-11.59,4.47,;-12.92,3.7,;-12.92,2.16,;-11.59,1.39,;-10.25,2.16,;-7.58,2.16,;-6.25,1.39,;-4.92,2.16,;-3.58,1.39,;-3.58,-.15,;-4.92,-.92,;-4.92,-2.46,;-3.58,-3.23,;-2.25,-2.46,;-.92,-3.04,;.04,-1.6,;1.58,-1.6,;2.35,-.27,;1.58,1.07,;3.89,-.27,;4.66,-1.6,;6.2,-1.6,;6.97,-.27,;6.2,1.07,;4.66,1.07,;8.51,-.27,;9.28,1.07,;9.28,-1.6,;10.82,-1.6,;11.59,-2.93,;11.59,-4.47,;12.92,-3.7,;8.51,-2.93,;7.74,-4.27,;-.92,-.15,;-.92,1.39,;-2.25,2.16,;-2.25,3.7,;-2.25,-.92,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:25.26,(.33,3.34,;-1.16,2.96,;-2.23,4.06,;-3.73,3.68,;-4.8,4.78,;-6.29,4.39,;-7.37,5.49,;-8.86,5.11,;-9.28,3.63,;-8.2,2.53,;-6.71,2.91,;-4.14,2.19,;-3.06,1.09,;-1.57,1.48,;-.49,.37,;-.91,-1.11,;-2.4,-1.49,;-2.81,-2.97,;-1.74,-4.07,;-.24,-3.69,;1.04,-4.54,;2.25,-3.59,;3.73,-4,;4.11,-5.49,;4.83,-2.92,;6.31,-3.34,;6.69,-4.83,;8.18,-5.24,;9.28,-4.17,;8.9,-2.68,;7.41,-2.26,;1.66,-1.83,;2.08,-.34,;1,.76,;1.41,2.24,;.17,-2.21,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)CC#N)c([nH]c1=O)c23 |r,wD:25.26,(-.93,3.34,;-2.42,2.96,;-3.5,4.06,;-4.99,3.68,;-6.07,4.78,;-7.56,4.39,;-8.64,5.49,;-10.13,5.11,;-10.55,3.63,;-9.47,2.53,;-7.98,2.91,;-5.41,2.19,;-4.33,1.09,;-2.84,1.48,;-1.76,.37,;-2.18,-1.11,;-3.67,-1.49,;-4.08,-2.97,;-3,-4.08,;-1.51,-3.69,;-.23,-4.54,;.98,-3.59,;2.46,-4,;2.84,-5.49,;3.56,-2.92,;5.04,-3.34,;5.43,-4.83,;6.91,-5.24,;8.01,-4.17,;7.63,-2.68,;6.14,-2.26,;8.73,-1.6,;10.21,-2.01,;8.35,-.11,;9.45,.97,;10.55,2.05,;.39,-1.83,;.81,-.34,;-.27,.76,;.14,2.24,;-1.1,-2.21,)|
Cc1cc(Oc2ccccn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-2.13,4.37,;-3.46,3.6,;-4.79,4.37,;-6.13,3.6,;-7.46,4.37,;-8.79,3.6,;-8.79,2.06,;-10.13,1.29,;-11.46,2.06,;-11.46,3.6,;-10.13,4.37,;-6.13,2.06,;-4.79,1.29,;-3.46,2.06,;-2.13,1.29,;-2.13,-.25,;-3.46,-1.02,;-3.46,-2.56,;-2.13,-3.33,;-.79,-2.56,;.67,-3.04,;1.58,-1.79,;3.12,-1.79,;3.89,-.46,;3.89,-3.12,;5.43,-3.12,;6.33,-4.37,;7.8,-3.89,;7.8,-2.35,;6.33,-1.88,;8.89,-1.26,;8.49,.22,;10.37,-1.66,;11.46,-.57,;.54,-.25,;.54,1.29,;-.79,2.06,;-.79,3.6,;-.79,-1.02,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)\C=C\CO)c([nH]c1=O)c23 |r,wU:25.26,(-3.49,3.85,;-4.83,3.08,;-6.16,3.85,;-7.5,3.08,;-8.83,3.85,;-10.16,3.08,;-11.5,3.85,;-12.83,3.08,;-12.83,1.54,;-11.5,.77,;-10.16,1.54,;-7.5,1.54,;-6.16,.77,;-4.83,1.54,;-3.49,.77,;-3.49,-.77,;-4.83,-1.54,;-4.83,-3.08,;-3.49,-3.85,;-2.16,-3.08,;-.83,-3.85,;-.06,-2.1,;1.48,-2.1,;2.25,-3.44,;2.25,-.77,;3.79,-.77,;4.7,-2.02,;6.16,-1.54,;6.16,,;4.7,.48,;7.5,.77,;7.5,2.31,;8.83,,;10.16,.77,;11.5,,;12.83,.77,;-.83,-.77,;-.83,.77,;-2.16,1.54,;-2.16,3.08,;-2.16,-1.54,)|
Cc1cc(Oc2ccccn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.8,4.41,;-3.14,3.64,;-4.47,4.41,;-5.8,3.64,;-7.14,4.41,;-8.47,3.64,;-8.47,2.1,;-9.81,1.33,;-11.14,2.1,;-11.14,3.64,;-9.81,4.41,;-5.8,2.1,;-4.47,1.33,;-3.14,2.1,;-1.8,1.33,;-1.8,-.21,;-3.14,-.98,;-3.14,-2.52,;-1.8,-3.29,;-.47,-2.52,;.99,-2.99,;1.9,-1.75,;3.44,-1.75,;4.21,-.41,;4.21,-3.08,;5.75,-3.08,;6.52,-4.41,;8.06,-4.41,;8.83,-3.08,;8.06,-1.75,;6.52,-1.75,;8.83,-.41,;8.06,.92,;10.37,-.41,;11.14,.92,;.86,-.21,;.86,1.33,;-.47,2.1,;-.47,3.64,;-.47,-.98,)|
Cc1cc(Oc2cccnc2C)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CNCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:26.27,(-1.83,3.08,;-3.16,2.31,;-4.5,3.08,;-5.83,2.31,;-7.17,3.08,;-8.5,2.31,;-8.5,.77,;-9.83,,;-11.17,.77,;-11.17,2.31,;-9.83,3.08,;-9.83,4.62,;-5.83,.77,;-4.5,,;-3.16,.77,;-1.83,,;-1.83,-1.54,;-3.16,-2.31,;-3.16,-3.85,;-1.83,-4.62,;-.5,-3.85,;.99,-4.25,;1.93,-2.63,;3.47,-2.63,;4.24,-3.96,;4.24,-1.3,;5.78,-1.3,;6.55,-2.63,;8.09,-2.63,;8.86,-1.3,;8.09,.04,;6.55,.04,;8.86,1.37,;8.09,2.71,;10.4,1.37,;11.17,.04,;.84,-1.54,;.84,,;-.5,.77,;-.5,2.31,;-.5,-2.31,)|
Cc1cc(Oc2cccnn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.83,3.85,;-3.16,3.08,;-4.5,3.85,;-5.83,3.08,;-7.17,3.85,;-8.5,3.08,;-8.5,1.54,;-9.83,.77,;-11.17,1.54,;-11.17,3.08,;-9.83,3.85,;-5.83,1.54,;-4.5,.77,;-3.16,1.54,;-1.83,.77,;-1.83,-.77,;-3.16,-1.54,;-3.16,-3.08,;-1.83,-3.85,;-.5,-3.08,;.99,-3.48,;1.93,-1.86,;3.47,-1.86,;4.24,-3.19,;4.24,-.53,;5.78,-.53,;6.55,-1.86,;8.09,-1.86,;8.86,-.53,;8.09,.81,;6.55,.81,;8.86,2.14,;8.09,3.48,;10.4,2.14,;11.17,.81,;.84,-.77,;.84,.77,;-.5,1.54,;-.5,3.08,;-.5,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CN(C[C@H]4F)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-2.09,3.85,;-3.42,3.08,;-4.76,3.85,;-6.09,3.08,;-7.43,3.85,;-8.76,3.08,;-10.09,3.85,;-11.43,3.08,;-11.43,1.54,;-10.09,.77,;-8.76,1.54,;-6.09,1.54,;-4.76,.77,;-3.42,1.54,;-2.09,.77,;-2.09,-.77,;-3.42,-1.54,;-3.42,-3.08,;-2.09,-3.85,;-.78,-3.04,;.57,-3.72,;1.4,-2.28,;2.94,-2.3,;3.7,-3.64,;3.73,-.98,;5.24,-1,;6.14,.24,;7.6,-.24,;7.6,-1.78,;6.14,-2.25,;5.66,-3.71,;8.85,.66,;8.57,2.18,;10.34,.26,;11.43,1.35,;.58,-.77,;.58,.77,;-.76,1.54,;-.76,3.08,;-.76,-1.54,)|
CNC\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.13,(8.33,6.09,;9.1,4.76,;8.33,3.42,;9.1,2.09,;8.33,.76,;9.1,-.58,;10.64,-.58,;8.33,-1.91,;9.1,-3.24,;8.33,-4.58,;6.79,-4.58,;6.02,-3.24,;6.79,-1.91,;4.51,-3.22,;3.73,-4.54,;4.48,-5.89,;2.19,-4.53,;1.36,-5.75,;0,-5.28,;-1.31,-6.09,;-2.64,-5.32,;-2.64,-3.78,;-1.31,-3.01,;-1.31,-1.47,;-2.64,-.7,;-3.97,-1.47,;-5.31,-.7,;-5.31,.84,;-6.64,1.61,;-7.97,.84,;-9.31,1.61,;-10.64,.84,;-10.64,-.7,;-9.31,-1.47,;-7.97,-.7,;-3.97,1.61,;-2.64,.84,;-1.31,1.61,;.03,-.7,;.03,.84,;1.36,-1.47,;1.36,-3.01,;.03,-3.78,)|
Cc1cc(OC2CCCCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.47,3.85,;-2.8,3.08,;-4.14,3.85,;-5.47,3.08,;-6.8,3.85,;-8.14,3.08,;-9.47,3.85,;-10.81,3.08,;-10.81,1.54,;-9.47,.77,;-8.14,1.54,;-5.47,1.54,;-4.14,.77,;-2.8,1.54,;-1.47,.77,;-1.47,-.77,;-2.8,-1.54,;-2.8,-3.08,;-1.47,-3.85,;-.16,-3.04,;1.2,-3.72,;2.02,-2.28,;3.56,-2.3,;4.32,-3.64,;4.35,-.98,;5.86,-1,;6.76,-2.25,;8.22,-1.78,;8.22,-.24,;6.76,.24,;9.47,.66,;10.81,-.11,;9.47,2.2,;10.81,2.97,;1.2,-.77,;1.2,.77,;-.14,1.54,;-.14,3.08,;-.14,-1.54,)|
COC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:15.17,(12.95,.24,;12.18,-1.09,;10.64,-1.09,;11.41,.24,;11.41,-2.43,;9.1,-1.09,;8.33,-2.43,;9.1,-3.76,;9.87,-5.09,;6.79,-2.43,;6.02,-3.76,;6.02,-1.09,;6.79,.24,;6.02,1.57,;4.48,1.57,;3.71,.24,;4.48,-1.09,;2.2,.27,;1.42,-1.06,;2.17,-2.4,;-.12,-1.04,;-.95,-2.48,;-2.31,-1.8,;-3.62,-2.61,;-4.95,-1.84,;-4.95,-.3,;-3.62,.47,;-3.62,2.01,;-4.95,2.78,;-6.28,2.01,;-7.62,2.78,;-7.62,4.32,;-8.95,5.09,;-10.28,4.32,;-11.62,5.09,;-12.95,4.32,;-12.95,2.78,;-11.62,2.01,;-10.28,2.78,;-6.28,5.09,;-4.95,4.32,;-3.62,5.09,;-2.28,2.78,;-2.28,4.32,;-.95,2.01,;-.95,.47,;-2.28,-.3,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-3.13,5.09,;-4.46,4.32,;-5.79,5.09,;-7.13,4.32,;-8.46,5.09,;-9.8,4.32,;-11.13,5.09,;-12.46,4.32,;-12.46,2.78,;-11.13,2.01,;-9.8,2.78,;-7.13,2.78,;-5.79,2.01,;-4.46,2.78,;-3.13,2.01,;-3.13,.47,;-4.46,-.3,;-4.46,-1.84,;-3.13,-2.61,;-1.82,-1.79,;-.46,-2.48,;.36,-1.04,;1.9,-1.06,;2.66,-2.4,;2.69,.27,;4.2,.24,;4.97,1.57,;6.51,1.57,;7.28,.24,;6.51,-1.09,;4.97,-1.09,;7.28,-2.43,;6.51,-3.76,;8.82,-2.43,;9.59,-1.09,;11.13,-1.09,;12.46,-1.86,;12.46,-.32,;9.59,-3.76,;10.36,-5.09,;-.46,.47,;-.46,2.01,;-1.79,2.78,;-1.79,4.32,;-1.79,-.3,)|
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Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C(C)(C)N4CCOCC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-4,5.09,;-5.33,4.32,;-6.67,5.09,;-8,4.32,;-9.34,5.09,;-10.67,4.32,;-12,5.09,;-13.34,4.32,;-13.34,2.78,;-12,2.01,;-10.67,2.78,;-8,2.78,;-6.67,2.01,;-5.33,2.78,;-4,2.01,;-4,.47,;-5.33,-.3,;-5.33,-1.84,;-4,-2.61,;-2.69,-1.79,;-1.33,-2.48,;-.51,-1.04,;1.03,-1.06,;1.79,-2.4,;1.82,.27,;3.33,.24,;4.1,1.57,;5.64,1.57,;6.41,.24,;5.64,-1.09,;4.1,-1.09,;6.41,-2.43,;5.64,-3.76,;7.95,-2.43,;8.72,-1.09,;10.26,-1.09,;11.03,.24,;9.49,.24,;11.03,-2.43,;10.26,-3.76,;11.03,-5.09,;12.57,-5.09,;13.34,-3.76,;12.57,-2.43,;8.72,-3.76,;9.49,-5.09,;-1.33,.47,;-1.33,2.01,;-2.67,2.78,;-2.67,4.32,;-2.67,-.3,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.69,4.43,;-3.02,3.66,;-4.36,4.43,;-5.69,3.66,;-7.03,4.43,;-8.36,3.66,;-9.69,4.43,;-11.03,3.66,;-11.03,2.12,;-9.69,1.35,;-8.36,2.12,;-5.69,2.12,;-4.36,1.35,;-3.02,2.12,;-1.69,1.35,;-1.69,-.19,;-3.02,-.96,;-3.02,-2.5,;-1.69,-3.27,;-.38,-2.46,;.97,-3.15,;1.8,-1.71,;3.34,-1.72,;4.1,-3.07,;4.13,-.4,;5.64,-.43,;6.41,.91,;7.95,.91,;8.72,-.43,;7.95,-1.76,;6.41,-1.76,;8.72,-3.09,;7.95,-4.43,;10.26,-3.09,;11.03,-1.76,;.98,-.19,;.98,1.35,;-.36,2.12,;-.36,3.66,;-.36,-.96,)|
Cc1cc(Oc2ccccc2)cc(F)c1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:26.27,(-1.47,4.04,;-2.8,3.27,;-4.14,4.04,;-5.47,3.27,;-6.8,4.04,;-8.14,3.27,;-9.47,4.04,;-10.8,3.27,;-10.8,1.73,;-9.47,.96,;-8.14,1.73,;-5.47,1.73,;-4.14,.96,;-4.14,-.58,;-2.8,1.73,;-1.47,.96,;-1.47,-.58,;-2.8,-1.35,;-2.8,-2.89,;-1.47,-3.66,;-.16,-2.85,;1.2,-3.53,;2.02,-2.1,;3.56,-2.11,;4.32,-3.45,;4.35,-.79,;5.86,-.81,;6.76,.43,;8.23,-.05,;8.23,-1.59,;6.76,-2.06,;9.47,-2.5,;9.47,-4.04,;10.8,-1.73,;10.8,-.19,;1.2,-.58,;1.2,.96,;-.13,1.73,;-.13,3.27,;-.13,-1.35,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C#C)c([nH]c1=O)c23 |r,wU:25.26,(-2.08,3.85,;-3.41,3.08,;-4.74,3.85,;-6.08,3.08,;-7.41,3.85,;-8.74,3.08,;-10.08,3.85,;-11.41,3.08,;-11.41,1.54,;-10.08,.77,;-8.74,1.54,;-6.08,1.54,;-4.74,.77,;-3.41,1.54,;-2.08,.77,;-2.08,-.77,;-3.41,-1.54,;-3.41,-3.08,;-2.08,-3.85,;-.77,-3.04,;.59,-3.72,;1.42,-2.28,;2.96,-2.3,;3.71,-3.64,;3.74,-.98,;5.25,-1,;6.02,-2.34,;7.56,-2.34,;8.33,-1,;7.56,.33,;6.02,.33,;8.33,1.66,;7.56,3,;9.87,1.66,;11.41,1.66,;.59,-.77,;.59,.77,;-.74,1.54,;-.74,3.08,;-.74,-1.54,)|
O=C(N[C@@H]1CCCN(C1)C(=O)C(=C\C1CC1)\C#N)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(F)=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.69,4.41,;-3.02,3.64,;-4.36,4.41,;-5.69,3.64,;-7.03,4.41,;-8.36,3.64,;-9.69,4.41,;-11.03,3.64,;-11.03,2.1,;-9.69,1.33,;-8.36,2.1,;-5.69,2.1,;-4.36,1.33,;-3.02,2.1,;-1.69,1.33,;-1.69,-.21,;-3.02,-.98,;-3.02,-2.52,;-1.69,-3.29,;-.38,-2.48,;.98,-3.16,;1.8,-1.72,;3.34,-1.74,;4.13,-.41,;4.1,-3.08,;5.64,-3.08,;6.41,-4.41,;7.95,-4.41,;8.72,-3.08,;7.95,-1.75,;6.41,-1.75,;8.72,-.41,;7.95,.92,;10.26,-.41,;11.03,-1.75,;11.03,.92,;.98,-.21,;.98,1.33,;-.36,2.1,;-.36,3.64,;-.36,-.98,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CN(C[C@H]4O)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-2.2,3.85,;-3.53,3.08,;-4.86,3.85,;-6.2,3.08,;-7.53,3.85,;-8.86,3.08,;-10.2,3.85,;-11.53,3.08,;-11.53,1.54,;-10.2,.77,;-8.86,1.54,;-6.2,1.54,;-4.86,.77,;-3.53,1.54,;-2.2,.77,;-2.2,-.77,;-3.53,-1.54,;-3.53,-3.08,;-2.2,-3.85,;-.89,-3.04,;.47,-3.72,;1.3,-2.28,;2.84,-2.3,;3.59,-3.64,;3.62,-.98,;5.16,-.98,;6.07,.27,;7.53,-.21,;7.53,-1.75,;6.07,-2.22,;5.59,-3.69,;8.86,.56,;8.86,2.1,;10.2,-.21,;11.53,.56,;.47,-.77,;.47,.77,;-.86,1.54,;-.86,3.08,;-.86,-1.54,)|
Cc1cc(OC2CC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:22.23,(-2.27,3.85,;-3.6,3.08,;-4.94,3.85,;-6.27,3.08,;-7.6,3.85,;-8.94,3.08,;-10.48,3.08,;-9.71,1.75,;-6.27,1.54,;-4.94,.77,;-3.6,1.54,;-2.27,.77,;-2.27,-.77,;-3.6,-1.54,;-3.6,-3.08,;-2.27,-3.85,;-.96,-3.04,;.4,-3.72,;1.22,-2.28,;2.76,-2.3,;3.52,-3.64,;3.55,-.98,;5.09,-.98,;5.86,-2.31,;7.4,-2.31,;8.17,-.98,;7.4,.36,;5.86,.36,;8.17,1.69,;7.4,3.02,;9.71,1.69,;10.48,3.02,;.4,-.77,;.4,.77,;-.94,1.54,;-.94,3.08,;-.94,-1.54,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5c(F)cccc5F)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.87,.89,;9.1,-.44,;9.87,-1.77,;9.1,-3.11,;7.56,-3.11,;6.79,-1.77,;7.56,-.44,;5.28,-1.75,;4.5,-3.07,;5.25,-4.41,;2.96,-3.05,;2.13,-4.49,;.77,-3.81,;-.54,-4.62,;-1.87,-3.85,;-1.87,-2.31,;-.54,-1.54,;-.54,,;-1.87,.77,;-3.2,,;-4.54,.77,;-4.54,2.31,;-5.87,3.08,;-7.2,2.31,;-8.54,3.08,;-8.54,4.62,;-9.87,2.31,;-9.87,.77,;-8.54,,;-7.2,.77,;-5.87,,;-3.2,3.08,;-1.87,2.31,;-.54,3.08,;.8,.77,;.8,2.31,;2.13,,;2.13,-1.54,;.8,-2.31,)|
CO[C@H]1CN(C[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23)C(=O)C=C |r,wU:6.7,wD:2.1,(6.64,-4.36,;5.61,-3.21,;6.09,-1.75,;7.56,-1.27,;7.56,.27,;6.09,.75,;5.19,-.5,;3.68,-.47,;2.9,-1.8,;3.65,-3.14,;1.36,-1.78,;.53,-3.22,;-.83,-2.53,;-2.14,-3.34,;-3.47,-2.57,;-3.47,-1.03,;-2.14,-.26,;-2.14,1.28,;-3.47,2.05,;-4.8,1.28,;-6.14,2.05,;-6.14,3.59,;-7.47,4.36,;-8.8,3.59,;-10.14,4.36,;-11.47,3.59,;-11.47,2.05,;-10.14,1.28,;-8.8,2.05,;-4.8,4.36,;-3.47,3.59,;-2.14,4.36,;-.8,2.05,;-.8,3.59,;.53,1.28,;.53,-.26,;-.8,-1.03,;8.8,1.17,;8.8,2.71,;10.14,.4,;11.47,1.17,)|
CN(C)CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:10.12,(9.49,-5.09,;10.26,-3.76,;11.8,-3.76,;9.49,-2.43,;7.95,-2.43,;7.18,-3.76,;7.18,-1.09,;7.95,.24,;7.18,1.57,;5.64,1.57,;4.87,.24,;5.64,-1.09,;3.36,.27,;2.57,-1.06,;3.33,-2.4,;1.03,-1.04,;.2,-2.48,;-1.15,-1.79,;-2.46,-2.61,;-3.79,-1.84,;-3.79,-.3,;-2.46,.47,;-2.46,2.01,;-3.79,2.78,;-5.13,2.01,;-6.46,2.78,;-6.46,4.32,;-7.8,5.09,;-9.13,4.32,;-10.46,5.09,;-11.8,4.32,;-11.8,2.78,;-10.46,2.01,;-9.13,2.78,;-5.13,5.09,;-3.79,4.32,;-2.46,5.09,;-1.13,2.78,;-1.13,4.32,;.21,2.01,;.21,.47,;-1.13,-.3,)|
CN1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5F)cc4C)c(=O)[nH]c1c23 |r,wD:5.7,(9.87,.89,;9.1,-.44,;9.87,-1.77,;9.1,-3.11,;7.56,-3.11,;6.79,-1.77,;7.56,-.44,;5.28,-1.75,;4.5,-3.07,;5.25,-4.41,;2.96,-3.05,;2.13,-4.49,;.77,-3.81,;-.54,-4.62,;-1.87,-3.85,;-1.87,-2.31,;-.54,-1.54,;-.54,,;-1.87,.77,;-3.2,,;-4.54,.77,;-4.54,2.31,;-5.87,3.08,;-7.2,2.31,;-7.2,.77,;-8.54,,;-9.87,.77,;-9.87,2.31,;-8.54,3.08,;-8.54,4.62,;-3.2,3.08,;-1.87,2.31,;-.54,3.08,;.8,.77,;.8,2.31,;2.13,,;2.13,-1.54,;.8,-2.31,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CN(C[C@H]4O)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-2.18,3.85,;-3.51,3.08,;-4.85,3.85,;-6.18,3.08,;-7.51,3.85,;-8.85,3.08,;-10.18,3.85,;-11.52,3.08,;-11.52,1.54,;-10.18,.77,;-8.85,1.54,;-6.18,1.54,;-4.85,.77,;-3.51,1.54,;-2.18,.77,;-2.18,-.77,;-3.51,-1.54,;-3.51,-3.08,;-2.18,-3.85,;-.87,-3.04,;.49,-3.72,;1.31,-2.28,;2.85,-2.3,;3.61,-3.64,;3.64,-.98,;5.15,-1,;6.05,.24,;7.51,-.24,;7.51,-1.78,;6.05,-2.25,;5.57,-3.71,;8.85,.53,;8.85,2.07,;10.18,-.24,;11.52,.53,;.49,-.77,;.49,.77,;-.85,1.54,;-.85,3.08,;-.85,-1.54,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)c(F)c4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.93,-1.18,;9.16,-2.51,;9.93,-3.85,;9.16,-5.18,;7.62,-5.18,;6.85,-3.85,;7.62,-2.51,;5.19,-3.85,;4.44,-2.51,;5.22,-1.19,;2.9,-2.49,;2.07,-3.93,;.71,-3.25,;-.6,-4.06,;-1.93,-3.29,;-1.93,-1.75,;-.6,-.98,;-.6,.56,;-1.93,1.33,;-3.26,.56,;-4.6,1.33,;-4.6,2.87,;-5.93,3.64,;-7.26,2.87,;-8.6,3.64,;-9.93,2.87,;-9.93,1.33,;-8.6,.56,;-7.26,1.33,;-3.26,3.64,;-3.26,5.18,;-1.93,2.87,;-.6,3.64,;.74,1.33,;.74,2.87,;2.07,.56,;2.07,-.98,;.74,-1.75,)|
CCCN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.9,(11.03,3,;10.26,1.66,;8.72,1.66,;7.95,.33,;8.72,-1,;7.95,-2.34,;6.41,-2.34,;5.64,-1,;6.41,.33,;4.13,-.98,;3.34,-2.3,;4.1,-3.64,;1.8,-2.28,;.98,-3.72,;-.38,-3.04,;-1.69,-3.85,;-3.02,-3.08,;-3.02,-1.54,;-1.69,-.77,;-1.69,.77,;-3.02,1.54,;-4.36,.77,;-5.69,1.54,;-5.69,3.08,;-7.03,3.85,;-8.36,3.08,;-9.69,3.85,;-11.03,3.08,;-11.03,1.54,;-9.69,.77,;-8.36,1.54,;-4.36,3.85,;-3.02,3.08,;-1.69,3.85,;-.36,1.54,;-.36,3.08,;.98,.77,;.98,-.77,;-.36,-1.54,)|
Cc1c(F)c(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCOC4)c([nH]c1=O)c23 |r,wD:26.27,(-.54,3.08,;-1.87,2.31,;-3.2,3.08,;-3.2,4.62,;-4.54,2.31,;-5.87,3.08,;-7.2,2.31,;-8.54,3.08,;-9.87,2.31,;-9.87,.77,;-8.54,,;-7.2,.77,;-4.54,.77,;-3.2,,;-1.87,.77,;-.54,,;-.54,-1.54,;-1.87,-2.31,;-1.87,-3.85,;-.54,-4.62,;.77,-3.81,;2.13,-4.49,;2.96,-3.05,;4.5,-3.07,;5.25,-4.41,;5.28,-1.75,;6.79,-1.77,;7.56,-3.11,;9.1,-3.11,;9.87,-1.77,;9.1,-.44,;7.56,-.44,;2.13,-1.54,;2.13,,;.8,.77,;.8,2.31,;.8,-2.31,)|
CCc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:20.20,(-9.69,3.64,;-8.36,4.41,;-7.03,3.64,;-7.03,2.1,;-5.69,1.33,;-4.36,2.1,;-4.36,3.64,;-3.02,4.41,;-5.69,4.41,;-3.02,1.33,;-3.02,-.21,;-4.36,-.98,;-4.36,-2.52,;-3.02,-3.29,;-1.72,-2.48,;-.36,-3.16,;.47,-1.72,;2.01,-1.74,;2.79,-.41,;2.76,-3.08,;4.3,-3.08,;5.07,-4.41,;6.61,-4.41,;7.38,-3.08,;6.61,-1.75,;5.07,-1.75,;7.38,-.41,;6.61,.92,;8.92,-.41,;9.69,.92,;-.36,-.21,;-.36,1.33,;-1.69,2.1,;-1.69,3.64,;-1.69,-.98,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C(C)(C)N4CCOCC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-3.98,5.04,;-5.32,4.27,;-6.65,5.04,;-7.98,4.27,;-9.32,5.04,;-10.65,4.27,;-10.65,2.73,;-11.98,1.96,;-13.32,2.73,;-13.32,4.27,;-11.98,5.04,;-7.98,2.73,;-6.65,1.96,;-5.32,2.73,;-3.98,1.96,;-3.98,.42,;-5.32,-.35,;-5.32,-1.89,;-3.98,-2.66,;-2.65,-1.89,;-1.18,-2.36,;-.54,-1.04,;1,-1.04,;1.77,-2.37,;1.77,.29,;3.31,.29,;4.08,1.63,;5.62,1.63,;6.39,.29,;5.62,-1.04,;4.08,-1.04,;6.39,-2.37,;5.62,-3.71,;7.93,-2.37,;8.7,-1.04,;10.24,-1.04,;11.01,.29,;9.47,.29,;11.01,-2.37,;10.24,-3.71,;11.01,-5.04,;12.55,-5.04,;13.32,-3.71,;12.55,-2.37,;8.7,-3.71,;9.47,-5.04,;-1.31,.42,;-1.31,1.96,;-2.65,2.73,;-2.65,4.27,;-2.65,-.35,)|
Cc1cc(Oc2c(F)cccc2F)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:27.28,(-1.66,3.63,;-2.99,2.86,;-4.33,3.63,;-5.66,2.86,;-6.99,3.63,;-8.33,2.86,;-8.33,1.32,;-7.04,.58,;-9.66,.55,;-10.99,1.32,;-10.99,2.86,;-9.66,3.63,;-9.66,5.12,;-5.66,1.32,;-4.33,.55,;-2.99,1.32,;-1.66,.55,;-1.66,-.99,;-2.99,-1.76,;-2.99,-3.3,;-1.66,-4.07,;-.32,-3.3,;1.14,-3.78,;1.78,-2.45,;3.32,-2.45,;4.09,-3.78,;4.09,-1.12,;5.63,-1.12,;6.4,.22,;7.94,.22,;8.71,-1.12,;7.94,-2.45,;6.4,-2.45,;8.71,-3.78,;7.94,-5.12,;10.25,-3.78,;10.99,-2.5,;1.01,-.99,;1.01,.55,;-.32,1.32,;-.32,2.86,;-.32,-1.76,)|
Cc1cc(OC2CCOCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.67,4.37,;-3.01,3.6,;-4.34,4.37,;-5.67,3.6,;-7.01,4.37,;-8.34,3.6,;-8.34,2.06,;-9.67,1.29,;-11.01,2.06,;-11.01,3.6,;-9.67,4.37,;-5.67,2.06,;-4.34,1.29,;-3.01,2.06,;-1.67,1.29,;-1.67,-.25,;-3.01,-1.02,;-3.01,-2.56,;-1.67,-3.33,;-.34,-2.56,;1.13,-3.03,;1.77,-1.71,;3.31,-1.71,;4.08,-.37,;4.08,-3.04,;5.62,-3.04,;6.39,-4.37,;7.93,-4.37,;8.7,-3.04,;7.93,-1.71,;6.39,-1.71,;8.7,-.37,;7.93,.96,;10.24,-.37,;11.01,.96,;1,-.25,;1,1.29,;-.34,2.06,;-.34,3.6,;-.34,-1.02,)|
CCOc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:21.21,(-10.38,3.85,;-9.05,3.08,;-7.72,3.85,;-6.38,3.08,;-6.38,1.54,;-5.05,.77,;-3.71,1.54,;-3.71,3.08,;-2.38,3.85,;-5.05,3.85,;-2.38,.77,;-2.38,-.77,;-3.71,-1.54,;-3.71,-3.08,;-2.38,-3.85,;-1.05,-3.08,;.57,-3.28,;1.21,-2.23,;2.68,-2.19,;3.45,-3.52,;3.45,-.86,;4.99,-.86,;5.76,-2.19,;7.3,-2.19,;8.07,-.86,;7.3,.48,;5.76,.48,;8.07,1.81,;7.3,3.15,;9.61,1.81,;10.38,3.15,;.29,-.77,;.29,.77,;-1.05,1.54,;-1.05,3.08,;-1.05,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCOC4)c([nH]c1=O)c23 |r,wD:25.26,(-.52,4.37,;-1.85,3.6,;-3.18,4.37,;-4.52,3.6,;-5.85,4.37,;-7.18,3.6,;-7.18,2.06,;-8.52,1.29,;-9.85,2.06,;-9.85,3.6,;-8.52,4.37,;-4.52,2.06,;-3.18,1.29,;-1.85,2.06,;-.52,1.29,;-.52,-.25,;-1.85,-1.02,;-1.85,-2.56,;-.52,-3.33,;.82,-2.56,;2.28,-3.03,;2.92,-1.71,;4.46,-1.71,;5.23,-.37,;5.23,-3.04,;6.77,-3.04,;7.54,-4.37,;9.08,-4.37,;9.85,-3.04,;9.08,-1.71,;7.54,-1.71,;2.15,-.25,;2.15,1.29,;.82,2.06,;.82,3.6,;.82,-1.02,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCOC4)c([nH]c1=O)c23 |r,wD:25.26,(-.16,4.33,;-1.5,3.56,;-2.83,4.33,;-4.16,3.56,;-5.5,4.33,;-6.83,3.56,;-6.83,2.02,;-8.16,1.25,;-9.5,2.02,;-9.5,3.56,;-8.16,4.33,;-4.16,2.02,;-2.83,1.25,;-1.5,2.02,;-.16,1.25,;-.16,-.29,;-1.5,-1.06,;-1.5,-2.6,;-.16,-3.37,;1.17,-2.6,;2.64,-3.08,;3.28,-1.75,;4.82,-1.75,;5.59,-.42,;5.59,-3.08,;7.13,-3.08,;8.03,-4.33,;9.5,-3.85,;9.5,-2.31,;8.03,-1.84,;2.51,-.29,;2.51,1.25,;1.17,2.02,;1.17,3.56,;1.17,-1.06,)|
Fc1cc(Oc2ccccc2)cc(F)c1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:26.27,(-1.67,3.85,;-3.01,3.08,;-4.34,3.85,;-5.67,3.08,;-7.01,3.85,;-8.34,3.08,;-9.67,3.85,;-11.01,3.08,;-11.01,1.54,;-9.67,.77,;-8.34,1.54,;-5.67,1.54,;-4.34,.77,;-4.34,-.77,;-3.01,1.54,;-1.67,.77,;-1.67,-.77,;-3.01,-1.54,;-3.01,-3.08,;-1.67,-3.85,;-.34,-3.08,;1.13,-3.56,;1.77,-2.23,;3.31,-2.23,;4.08,-3.57,;4.08,-.9,;5.62,-.9,;6.39,-2.23,;7.93,-2.23,;8.7,-.9,;7.93,.44,;6.39,.44,;8.7,1.77,;7.93,3.1,;10.24,1.77,;11.01,3.1,;1,-.77,;1,.77,;-.34,1.54,;-.34,3.08,;-.34,-1.54,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccc6ccoc56)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(10.42,-1.21,;9.65,-2.54,;10.42,-3.87,;9.65,-5.21,;8.11,-5.21,;7.34,-3.87,;8.11,-2.54,;5.8,-3.87,;5.03,-2.54,;5.8,-1.21,;3.49,-2.54,;2.85,-3.87,;1.39,-3.39,;.06,-4.16,;-1.28,-3.39,;-1.28,-1.85,;.06,-1.08,;.06,.46,;-1.28,1.23,;-2.61,.46,;-3.95,1.23,;-3.95,2.77,;-5.28,3.54,;-6.61,2.77,;-6.61,1.23,;-7.95,.46,;-9.28,1.23,;-9.28,2.77,;-10.42,3.8,;-9.8,5.21,;-8.27,5.05,;-7.95,3.54,;-2.61,3.54,;-1.28,2.77,;.06,3.54,;1.39,1.23,;1.39,2.77,;2.72,.46,;2.72,-1.08,;1.39,-1.85,)|
Cc1c(F)c(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCOC4)c([nH]c1=O)c23 |r,wU:26.27,(-.52,3,;-1.85,2.23,;-3.18,3,;-3.18,4.7,;-4.52,2.23,;-5.85,3,;-7.18,2.23,;-8.52,3,;-9.85,2.23,;-9.85,.69,;-8.52,-.08,;-7.18,.69,;-4.52,.69,;-3.18,-.08,;-1.85,.69,;-.52,-.08,;-.52,-1.62,;-1.85,-2.39,;-1.85,-3.93,;-.52,-4.7,;.82,-3.93,;2.28,-4.41,;2.92,-3.08,;4.46,-3.08,;5.23,-4.42,;5.23,-1.75,;6.77,-1.75,;7.54,-3.08,;9.08,-3.08,;9.85,-1.75,;9.08,-.42,;7.54,-.42,;2.15,-1.62,;2.15,-.08,;.82,.69,;.82,2.23,;.82,-2.39,)|
COCCC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:9.11,(12.83,.64,;11.5,-.13,;10.16,.64,;8.83,-.13,;7.5,.64,;7.5,2.18,;6.16,-.13,;6.16,-1.67,;4.7,-2.14,;3.79,-.9,;4.7,.35,;2.25,-.9,;1.48,-2.23,;2.25,-3.57,;-.06,-2.23,;-.7,-3.56,;-2.16,-3.08,;-3.5,-3.85,;-4.83,-3.08,;-4.83,-1.54,;-3.5,-.77,;-3.5,.77,;-4.83,1.54,;-6.16,.77,;-7.5,1.54,;-7.5,3.08,;-8.83,3.85,;-10.16,3.08,;-11.5,3.85,;-12.83,3.08,;-12.83,1.54,;-11.5,.77,;-10.16,1.54,;-6.16,3.85,;-4.83,3.08,;-3.5,3.85,;-2.16,1.54,;-2.16,3.08,;-.83,.77,;-.83,-.77,;-2.16,-1.54,)|
COc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C)C4)c([nH]c1=O)c23 |r,wU:27.28,(-7.27,5,;-8.6,4.23,;-8.6,2.69,;-9.93,1.93,;-9.93,.39,;-8.6,-.38,;-7.27,.39,;-7.27,1.93,;-5.93,2.69,;-4.6,1.93,;-4.6,.39,;-3.27,-.38,;-1.93,.39,;-1.93,1.93,;-.6,2.69,;-3.27,2.69,;-.6,-.38,;-.6,-1.93,;-1.93,-2.69,;-1.93,-4.23,;-.6,-5,;.74,-4.23,;2.31,-4.49,;3.04,-3.19,;4.54,-3.18,;5.31,-4.52,;5.31,-1.85,;6.85,-1.85,;7.62,-3.18,;9.16,-3.18,;9.93,-1.85,;9.16,-.52,;9.93,.82,;7.62,-.52,;2.07,-1.93,;2.07,-.38,;.74,.39,;.74,1.93,;.74,-2.69,)|
CCN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:6.8,(9.08,3.1,;9.85,1.77,;9.08,.44,;9.85,-.9,;9.08,-2.23,;7.54,-2.23,;6.77,-.9,;7.54,.44,;5.23,-.9,;4.46,-2.23,;5.23,-3.57,;2.92,-2.23,;2.28,-3.56,;.82,-3.08,;-.52,-3.85,;-1.85,-3.08,;-1.85,-1.54,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.18,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-7.18,3.08,;-8.52,3.85,;-9.85,3.08,;-9.85,1.54,;-8.52,.77,;-7.18,1.54,;-3.18,3.85,;-1.85,3.08,;-.52,3.85,;.82,1.54,;.82,3.08,;2.15,.77,;2.15,-.77,;.82,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CCO)c([nH]c1=O)c23 |r,wU:25.26,(-2.44,3.85,;-3.78,3.08,;-5.11,3.85,;-6.44,3.08,;-7.78,3.85,;-9.11,3.08,;-10.44,3.85,;-11.78,3.08,;-11.78,1.54,;-10.44,.77,;-9.11,1.54,;-6.44,1.54,;-5.11,.77,;-3.78,1.54,;-2.44,.77,;-2.44,-.77,;-3.78,-1.54,;-3.78,-3.08,;-2.44,-3.85,;-1.11,-3.08,;.36,-3.56,;1,-2.23,;2.54,-2.23,;3.31,-3.57,;3.31,-.9,;4.85,-.9,;5.62,-2.23,;7.16,-2.23,;7.93,-.9,;7.16,.44,;5.62,.44,;7.93,1.77,;7.16,3.1,;9.47,1.77,;10.24,.44,;11.78,.44,;.23,-.77,;.23,.77,;-1.11,1.54,;-1.11,3.08,;-1.11,-1.54,)|
CCc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:27.28,(-9.78,5.53,;-11.11,4.76,;-11.11,3.22,;-12.44,2.45,;-12.44,.91,;-11.11,.14,;-9.78,.91,;-9.78,2.45,;-8.44,3.22,;-7.11,2.45,;-7.11,.91,;-5.78,.14,;-4.44,.91,;-4.44,2.45,;-3.11,3.22,;-5.78,3.22,;-3.11,.14,;-3.11,-1.4,;-4.44,-2.17,;-4.44,-3.71,;-3.11,-4.48,;-1.77,-3.71,;-.31,-4.19,;.33,-2.86,;1.87,-2.86,;2.64,-1.53,;2.64,-4.2,;4.18,-4.2,;4.95,-5.53,;6.49,-5.53,;7.26,-4.2,;6.49,-2.86,;4.95,-2.86,;7.26,-1.53,;6.49,-.19,;8.8,-1.53,;9.57,-2.86,;11.11,-2.86,;12.44,-3.63,;12.44,-2.09,;9.57,-.19,;10.34,1.14,;-.44,-1.4,;-.44,.14,;-1.77,.91,;-1.77,2.45,;-1.77,-2.17,)|
Cc1c(Oc2ccccc2)ccc(c1C)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:26.27,(-4.12,4.83,;-4.12,3.13,;-5.45,2.36,;-6.79,3.13,;-8.12,2.36,;-9.45,3.13,;-10.79,2.36,;-10.79,.82,;-9.45,.05,;-8.12,.82,;-5.45,.82,;-4.12,.05,;-2.78,.82,;-2.78,2.36,;-1.45,3.13,;-1.45,.05,;-1.45,-1.49,;-2.78,-2.26,;-2.78,-3.8,;-1.45,-4.57,;-.12,-3.8,;1.35,-4.28,;1.99,-2.95,;3.53,-2.95,;4.3,-4.29,;4.3,-1.62,;5.84,-1.62,;6.74,-.37,;8.21,-.85,;8.21,-2.39,;6.74,-2.86,;9.45,-3.29,;9.45,-4.83,;10.79,-2.52,;10.79,-.98,;1.22,-1.49,;1.22,.05,;-.12,.82,;-.12,2.36,;-.12,-2.26,)|
CN(C)CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.12,(11.78,2.75,;10.24,2.75,;9.47,4.08,;9.47,1.41,;7.93,1.41,;7.16,2.75,;7.16,.08,;7.93,-1.25,;7.16,-2.59,;5.62,-2.59,;4.85,-1.25,;5.62,.08,;3.31,-1.25,;2.53,-2.58,;3.29,-3.92,;.99,-2.57,;.22,-4.08,;-1.11,-3.31,;-2.45,-4.08,;-3.78,-3.31,;-3.78,-1.77,;-2.45,-1,;-2.45,.54,;-3.78,1.31,;-5.11,.54,;-6.45,1.31,;-6.45,2.85,;-7.78,3.62,;-9.11,2.85,;-10.45,3.62,;-11.78,2.85,;-11.78,1.31,;-10.45,.54,;-9.11,1.31,;-5.11,3.62,;-3.78,2.85,;-2.45,3.62,;-1.11,1.31,;-1.11,2.85,;.22,.54,;.22,-1,;-1.11,-1.77,)|
Fc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:25.26,(-3.11,3.62,;-4.45,2.85,;-5.78,3.62,;-7.11,2.85,;-8.45,3.62,;-9.78,2.85,;-11.12,3.62,;-12.45,2.85,;-12.45,1.31,;-11.12,.54,;-9.78,1.31,;-7.11,1.31,;-5.78,.54,;-4.45,1.31,;-3.11,.54,;-3.11,-1,;-4.45,-1.77,;-4.45,-3.31,;-3.11,-4.08,;-1.78,-3.31,;-.45,-4.08,;.32,-2.57,;1.86,-2.58,;2.62,-3.92,;2.64,-1.25,;4.19,-1.25,;4.95,-2.59,;6.49,-2.59,;7.27,-1.25,;6.49,.08,;4.95,.08,;7.27,1.41,;6.49,2.75,;8.81,1.41,;9.58,.08,;11.12,.08,;12.45,-.69,;12.45,.85,;9.58,2.75,;10.35,4.08,;-.45,-1,;-.45,.54,;-1.78,1.31,;-1.78,2.85,;-1.78,-1.77,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCOC4)c([nH]c1=O)c23 |r,wU:25.26,(-.16,4.39,;-1.49,3.62,;-2.82,4.39,;-4.16,3.62,;-5.49,4.39,;-6.82,3.62,;-8.16,4.39,;-9.49,3.62,;-9.49,2.08,;-8.16,1.31,;-6.82,2.08,;-4.16,2.08,;-2.82,1.31,;-1.49,2.08,;-.16,1.31,;-.16,-.23,;-1.49,-1,;-1.49,-2.54,;-.16,-3.31,;1.18,-2.54,;2.51,-3.31,;3.28,-1.8,;4.82,-1.81,;5.6,-.48,;5.58,-3.15,;7.12,-3.15,;8.03,-4.39,;9.49,-3.92,;9.49,-2.38,;8.03,-1.9,;2.51,-.23,;2.51,1.31,;1.18,2.08,;1.18,3.62,;1.18,-1,)|
Cc1cc(Oc2ccccc2)cc(C)c1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:26.27,(-1.5,3.98,;-2.83,3.21,;-4.17,3.98,;-5.5,3.21,;-6.83,3.98,;-8.17,3.21,;-9.5,3.98,;-10.84,3.21,;-10.84,1.67,;-9.5,.9,;-8.17,1.67,;-5.5,1.67,;-4.17,.9,;-4.17,-.64,;-2.83,1.67,;-1.5,.9,;-1.5,-.64,;-2.83,-1.41,;-2.83,-2.95,;-1.5,-3.72,;-.17,-2.95,;1.17,-3.72,;1.94,-2.21,;3.48,-2.23,;4.24,-3.56,;4.26,-.9,;5.8,-.9,;6.7,.35,;8.17,-.13,;8.17,-1.67,;6.7,-2.14,;9.5,-2.44,;9.5,-3.98,;10.84,-1.67,;10.84,-.13,;1.17,-.64,;1.17,.9,;-.17,1.67,;-.17,3.21,;-.17,-1.41,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.68,4.44,;-3.01,3.67,;-4.34,4.44,;-5.68,3.67,;-7.01,4.44,;-8.34,3.67,;-9.68,4.44,;-11.01,3.67,;-11.01,2.13,;-9.68,1.36,;-8.34,2.13,;-5.68,2.13,;-4.34,1.36,;-3.01,2.13,;-1.68,1.36,;-1.68,-.18,;-3.01,-.95,;-3.01,-2.49,;-1.68,-3.26,;-.34,-2.49,;.99,-3.26,;1.76,-1.75,;3.3,-1.76,;4.06,-3.1,;4.08,-.44,;5.62,-.44,;6.39,.9,;7.93,.9,;8.7,-.44,;7.93,-1.77,;6.39,-1.77,;8.7,-3.1,;7.93,-4.44,;10.24,-3.1,;11.01,-1.77,;.99,-.18,;.99,1.36,;-.34,2.13,;-.34,3.67,;-.34,-.95,)|
Cc1cc(ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23)S(F)(F)(F)(F)F |r,wD:18.18,(-3,5,;-4.33,4.23,;-5.67,5,;-7,4.23,;-7,2.69,;-5.67,1.92,;-4.33,2.69,;-3,1.92,;-3,.38,;-4.33,-.39,;-4.33,-1.93,;-3,-2.7,;-1.67,-1.93,;-.33,-2.7,;.44,-1.19,;1.98,-1.2,;2.76,.13,;2.74,-2.54,;4.28,-2.54,;5.05,-1.21,;6.59,-1.21,;7.36,-2.54,;6.59,-3.87,;5.05,-3.87,;7.36,-5.21,;6.59,-6.54,;8.9,-5.21,;9.67,-3.87,;-.33,.38,;-.33,1.92,;-1.67,2.69,;-1.67,4.23,;-1.67,-.39,;-8.33,5,;-8.33,6.54,;-9.67,4.23,;-7,5.77,;-9.67,5.77,;-8.33,3.46,)|
CCC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.9,(11.5,.52,;10.17,-.25,;8.84,.52,;8.84,2.06,;7.5,-.25,;7.5,-1.79,;6.04,-2.27,;5.13,-1.02,;6.04,.22,;3.59,-1.02,;2.81,-2.35,;3.57,-3.69,;1.27,-2.34,;.5,-3.85,;-.83,-3.08,;-2.17,-3.85,;-3.5,-3.08,;-3.5,-1.54,;-2.17,-.77,;-2.17,.77,;-3.5,1.54,;-4.83,.77,;-6.17,1.54,;-6.17,3.08,;-7.5,3.85,;-8.84,3.08,;-10.17,3.85,;-11.5,3.08,;-11.5,1.54,;-10.17,.77,;-8.84,1.54,;-4.83,3.85,;-3.5,3.08,;-2.17,3.85,;-.83,1.54,;-.83,3.08,;.5,.77,;.5,-.77,;-.83,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCOC4)c([nH]c1=O)c23 |r,wU:25.26,(-.51,4.44,;-1.84,3.67,;-3.18,4.44,;-4.51,3.67,;-5.85,4.44,;-7.18,3.67,;-8.51,4.44,;-9.85,3.67,;-9.85,2.13,;-8.51,1.36,;-7.18,2.13,;-4.51,2.13,;-3.18,1.36,;-1.84,2.13,;-.51,1.36,;-.51,-.18,;-1.84,-.95,;-1.84,-2.49,;-.51,-3.26,;.82,-2.49,;2.16,-3.26,;2.93,-1.75,;4.47,-1.76,;5.25,-.44,;5.23,-3.1,;6.77,-3.1,;7.54,-4.44,;9.08,-4.44,;9.85,-3.1,;9.08,-1.77,;7.54,-1.77,;2.16,-.18,;2.16,1.36,;.82,2.13,;.82,3.67,;.82,-.95,)|
Cc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:19.19,(-9.01,4.44,;-7.68,3.67,;-7.68,2.13,;-6.34,1.36,;-5.01,2.13,;-5.01,3.67,;-3.68,4.44,;-6.34,4.44,;-3.68,1.36,;-3.68,-.18,;-5.01,-.95,;-5.01,-2.49,;-3.68,-3.26,;-2.34,-2.49,;-1.01,-3.26,;-.24,-1.75,;1.3,-1.76,;2.06,-3.1,;2.08,-.44,;3.62,-.44,;4.39,.9,;5.93,.9,;6.7,-.44,;5.93,-1.77,;4.39,-1.77,;6.7,-3.1,;5.93,-4.44,;8.24,-3.1,;9.01,-1.77,;-1.01,-.18,;-1.01,1.36,;-2.34,2.13,;-2.34,3.67,;-2.34,-.95,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.68,4.44,;-3.01,3.67,;-4.34,4.44,;-5.68,3.67,;-7.01,4.44,;-8.34,3.67,;-9.68,4.44,;-11.01,3.67,;-11.01,2.13,;-9.68,1.36,;-8.34,2.13,;-5.68,2.13,;-4.34,1.36,;-3.01,2.13,;-1.68,1.36,;-1.68,-.18,;-3.01,-.95,;-3.01,-2.49,;-1.68,-3.26,;-.34,-2.49,;.99,-3.26,;1.76,-1.75,;3.3,-1.76,;4.06,-3.1,;4.08,-.44,;5.62,-.44,;6.39,.9,;7.93,.9,;8.7,-.44,;7.93,-1.77,;6.39,-1.77,;8.7,-3.1,;7.93,-4.44,;10.24,-3.1,;11.01,-1.77,;.99,-.18,;.99,1.36,;-.34,2.13,;-.34,3.67,;-.34,-.95,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCOC4)c([nH]c1=O)c23 |r,wD:25.26,(-.51,4.44,;-1.84,3.67,;-3.18,4.44,;-4.51,3.67,;-5.85,4.44,;-7.18,3.67,;-8.51,4.44,;-9.85,3.67,;-9.85,2.13,;-8.51,1.36,;-7.18,2.13,;-4.51,2.13,;-3.18,1.36,;-1.84,2.13,;-.51,1.36,;-.51,-.18,;-1.84,-.95,;-1.84,-2.49,;-.51,-3.26,;.82,-2.49,;2.16,-3.26,;2.93,-1.75,;4.47,-1.76,;5.25,-.44,;5.23,-3.1,;6.77,-3.1,;7.54,-4.44,;9.08,-4.44,;9.85,-3.1,;9.08,-1.77,;7.54,-1.77,;2.16,-.18,;2.16,1.36,;.82,2.13,;.82,3.67,;.82,-.95,)|
COCCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)c(F)c4C)c(=O)[nH]c1c23 |r,wU:10.12,(12.17,3.54,;11.4,2.21,;9.86,2.21,;9.09,.87,;7.55,.87,;6.78,2.21,;6.78,-.46,;7.55,-1.79,;6.78,-3.13,;5.24,-3.13,;4.47,-1.79,;5.24,-.46,;2.93,-1.79,;2.15,-3.12,;2.91,-4.46,;.61,-3.11,;-.16,-4.62,;-1.5,-3.85,;-2.83,-4.62,;-4.16,-3.85,;-4.16,-2.31,;-2.83,-1.54,;-2.83,,;-4.16,.77,;-5.5,,;-6.83,.77,;-6.83,2.31,;-8.17,3.08,;-9.5,2.31,;-10.83,3.08,;-12.17,2.31,;-12.17,.77,;-10.83,,;-9.5,.77,;-5.5,3.08,;-5.5,4.62,;-4.16,2.31,;-2.83,3.08,;-1.5,.77,;-1.5,2.31,;-.16,,;-.16,-1.54,;-1.5,-2.31,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCOC4)c([nH]c1=O)c23 |r,wD:25.26,(-.16,4.39,;-1.49,3.62,;-2.82,4.39,;-4.16,3.62,;-5.49,4.39,;-6.82,3.62,;-8.16,4.39,;-9.49,3.62,;-9.49,2.08,;-8.16,1.31,;-6.82,2.08,;-4.16,2.08,;-2.82,1.31,;-1.49,2.08,;-.16,1.31,;-.16,-.23,;-1.49,-1,;-1.49,-2.54,;-.16,-3.31,;1.18,-2.54,;2.51,-3.31,;3.28,-1.8,;4.82,-1.81,;5.6,-.48,;5.58,-3.15,;7.12,-3.15,;8.03,-4.39,;9.49,-3.92,;9.49,-2.38,;8.03,-1.9,;2.51,-.23,;2.51,1.31,;1.18,2.08,;1.18,3.62,;1.18,-1,)|
CNCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:9.11,(11.78,2.98,;10.24,2.98,;9.47,1.64,;7.93,1.64,;7.16,2.98,;7.16,.31,;7.93,-1.02,;7.16,-2.36,;5.62,-2.36,;4.85,-1.02,;5.62,.31,;3.31,-1.02,;2.53,-2.35,;3.29,-3.69,;.99,-2.34,;.22,-3.85,;-1.11,-3.08,;-2.45,-3.85,;-3.78,-3.08,;-3.78,-1.54,;-2.45,-.77,;-2.45,.77,;-3.78,1.54,;-5.11,.77,;-6.45,1.54,;-6.45,3.08,;-7.78,3.85,;-9.11,3.08,;-10.45,3.85,;-11.78,3.08,;-11.78,1.54,;-10.45,.77,;-9.11,1.54,;-5.11,3.85,;-3.78,3.08,;-2.45,3.85,;-1.11,1.54,;-1.11,3.08,;.22,.77,;.22,-.77,;-1.11,-1.54,)|
C[C@@H]1CCC(CN1C)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:1.0,(10.63,-1.02,;9.09,-1.02,;8.32,.31,;6.78,.31,;6.01,-1.02,;6.78,-2.36,;8.32,-2.36,;9.09,-3.69,;4.47,-1.02,;3.69,-2.35,;4.45,-3.69,;2.15,-2.34,;1.38,-3.85,;.04,-3.08,;-1.29,-3.85,;-2.62,-3.08,;-2.62,-1.54,;-1.29,-.77,;-1.29,.77,;-2.62,1.54,;-3.96,.77,;-5.29,1.54,;-5.29,3.08,;-6.63,3.85,;-7.96,3.08,;-9.29,3.85,;-10.63,3.08,;-10.63,1.54,;-9.29,.77,;-7.96,1.54,;-3.96,3.85,;-2.62,3.08,;-1.29,3.85,;.04,1.54,;.04,3.08,;1.38,.77,;1.38,-.77,;.04,-1.54,)|
CC(C)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:6.8,(10.79,-.13,;9.46,.64,;9.46,2.18,;8.12,-.13,;8.12,-1.67,;6.66,-2.15,;5.75,-.9,;6.66,.34,;4.21,-.9,;3.44,-2.24,;4.21,-3.57,;1.9,-2.24,;1.34,-3.56,;-.12,-3.08,;-1.45,-3.85,;-2.79,-3.08,;-2.79,-1.54,;-1.45,-.77,;-1.45,.77,;-2.79,1.54,;-4.12,.77,;-5.46,1.54,;-5.46,3.08,;-6.79,3.85,;-8.12,3.08,;-9.46,3.85,;-10.79,3.08,;-10.79,1.54,;-9.46,.77,;-8.12,1.54,;-4.12,3.85,;-2.79,3.08,;-1.45,3.85,;-.12,1.54,;-.12,3.08,;1.21,.77,;1.21,-.77,;-.12,-1.54,)|
COCCC(=O)N1C[C@@H](F)[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.12,8.8,(12.79,.64,;11.46,-.13,;10.12,.64,;8.79,-.13,;7.46,.64,;7.46,2.18,;6.12,-.13,;6.12,-1.67,;4.66,-2.15,;4.18,-3.61,;3.75,-.9,;4.66,.34,;2.21,-.9,;1.44,-2.24,;2.21,-3.57,;-.1,-2.24,;-.66,-3.56,;-2.12,-3.08,;-3.46,-3.85,;-4.79,-3.08,;-4.79,-1.54,;-3.46,-.77,;-3.46,.77,;-4.79,1.54,;-6.12,.77,;-7.46,1.54,;-7.46,3.08,;-8.79,3.85,;-10.12,3.08,;-11.46,3.85,;-12.79,3.08,;-12.79,1.54,;-11.46,.77,;-10.12,1.54,;-6.12,3.85,;-4.79,3.08,;-3.46,3.85,;-2.12,1.54,;-2.12,3.08,;-.79,.77,;-.79,-.77,;-2.12,-1.54,)|
COCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:9.11,(11.74,3.1,;10.2,3.1,;9.43,1.76,;7.89,1.76,;7.12,3.1,;7.12,.43,;7.89,-.9,;7.12,-2.24,;5.58,-2.24,;4.81,-.9,;5.58,.43,;3.27,-.9,;2.5,-2.24,;3.27,-3.57,;.96,-2.24,;.4,-3.56,;-1.07,-3.08,;-2.4,-3.85,;-3.74,-3.08,;-3.74,-1.54,;-2.4,-.77,;-2.4,.77,;-3.74,1.54,;-5.07,.77,;-6.4,1.54,;-6.4,3.08,;-7.74,3.85,;-9.07,3.08,;-10.4,3.85,;-11.74,3.08,;-11.74,1.54,;-10.4,.77,;-9.07,1.54,;-5.07,3.85,;-3.74,3.08,;-2.4,3.85,;-1.07,1.54,;-1.07,3.08,;.27,.77,;.27,-.77,;-1.07,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCOC4)c([nH]c1=O)c23 |r,wU:25.26,(-.48,3.85,;-1.81,3.08,;-3.14,3.85,;-4.48,3.08,;-5.81,3.85,;-7.14,3.08,;-8.48,3.85,;-9.81,3.08,;-9.81,1.54,;-8.48,.77,;-7.14,1.54,;-4.48,1.54,;-3.14,.77,;-1.81,1.54,;-.48,.77,;-.48,-.77,;-1.81,-1.54,;-1.81,-3.08,;-.48,-3.85,;.86,-3.08,;2.32,-3.56,;2.88,-2.24,;4.42,-2.24,;5.19,-3.57,;5.19,-.9,;6.73,-.9,;7.5,-2.24,;9.04,-2.24,;9.81,-.9,;9.04,.43,;7.5,.43,;2.19,-.77,;2.19,.77,;.86,1.54,;.86,3.08,;.86,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCCN(C4)C#N)c([nH]c1=O)c23 |(-.66,4.45,;-1.99,3.68,;-3.32,4.45,;-4.66,3.68,;-5.99,4.45,;-7.32,3.68,;-8.66,4.45,;-9.99,3.68,;-9.99,2.14,;-8.66,1.37,;-7.32,2.14,;-4.66,2.14,;-3.32,1.37,;-1.99,2.14,;-.66,1.37,;-.66,-.17,;-1.99,-.94,;-1.99,-2.48,;-.66,-3.25,;.68,-2.48,;2.14,-2.95,;2.7,-1.64,;4.24,-1.64,;5.01,-.3,;5.01,-2.97,;6.55,-2.97,;7.37,-4.28,;8.9,-4.45,;9.99,-3.37,;9.82,-1.83,;8.52,-1.01,;7.07,-1.52,;8.52,.53,;8.52,2.07,;2.01,-.17,;2.01,1.37,;.68,2.14,;.68,3.68,;.68,-.94,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:25.26,(-.48,3.85,;-1.81,3.08,;-3.14,3.85,;-4.48,3.08,;-5.81,3.85,;-7.14,3.08,;-8.48,3.85,;-9.81,3.08,;-9.81,1.54,;-8.48,.77,;-7.14,1.54,;-4.48,1.54,;-3.14,.77,;-1.81,1.54,;-.48,.77,;-.48,-.77,;-1.81,-1.54,;-1.81,-3.08,;-.48,-3.85,;.86,-3.08,;2.32,-3.56,;2.88,-2.24,;4.42,-2.24,;5.19,-3.57,;5.19,-.9,;6.73,-.9,;7.5,.43,;9.04,.43,;9.81,-.9,;9.04,-2.24,;7.5,-2.24,;2.19,-.77,;2.19,.77,;.86,1.54,;.86,3.08,;.86,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CCO)c([nH]c1=O)c23 |r,wD:25.26,(-2.4,4.38,;-3.74,3.61,;-5.07,4.38,;-6.4,3.61,;-7.74,4.38,;-9.07,3.61,;-10.4,4.38,;-11.74,3.61,;-11.74,2.07,;-10.4,1.3,;-9.07,2.07,;-6.4,2.07,;-5.07,1.3,;-3.74,2.07,;-2.4,1.3,;-2.4,-.24,;-3.74,-1.01,;-3.74,-2.55,;-2.4,-3.32,;-1.07,-2.55,;.4,-3.03,;.96,-1.71,;2.5,-1.71,;3.27,-3.04,;3.27,-.38,;4.81,-.38,;5.58,.96,;7.12,.96,;7.89,-.38,;7.12,-1.71,;5.58,-1.71,;7.89,-3.04,;7.12,-4.38,;9.43,-3.04,;10.2,-1.71,;11.74,-1.71,;.27,-.24,;.27,1.3,;-1.07,2.07,;-1.07,3.61,;-1.07,-1.01,)|
C\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:9.11,(11.74,-1.71,;10.2,-1.71,;9.43,-3.04,;7.89,-3.04,;7.12,-4.38,;7.12,-1.71,;7.89,-.38,;7.12,.96,;5.58,.96,;4.81,-.38,;5.58,-1.71,;3.27,-.38,;2.5,-1.71,;3.27,-3.04,;.96,-1.71,;.4,-3.03,;-1.07,-2.55,;-2.4,-3.32,;-3.74,-2.55,;-3.74,-1.01,;-2.4,-.24,;-2.4,1.3,;-3.74,2.07,;-5.07,1.3,;-6.4,2.07,;-6.4,3.61,;-7.74,4.38,;-9.07,3.61,;-10.4,4.38,;-11.74,3.61,;-11.74,2.07,;-10.4,1.3,;-9.07,2.07,;-5.07,4.38,;-3.74,3.61,;-2.4,4.38,;-1.07,2.07,;-1.07,3.61,;.27,1.3,;.27,-.24,;-1.07,-1.01,)|
CC(C)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.9,(8.27,.96,;9.04,-.38,;10.58,-.38,;8.27,-1.71,;9.04,-3.04,;8.27,-4.38,;6.73,-4.38,;5.96,-3.04,;6.73,-1.71,;4.42,-3.04,;3.65,-1.71,;4.42,-.38,;2.11,-1.71,;1.55,-3.03,;.09,-2.55,;-1.25,-3.32,;-2.58,-2.55,;-2.58,-1.01,;-1.25,-.24,;-1.25,1.3,;-2.58,2.07,;-3.91,1.3,;-5.25,2.07,;-5.25,3.61,;-6.58,4.38,;-7.91,3.61,;-9.25,4.38,;-10.58,3.61,;-10.58,2.07,;-9.25,1.3,;-7.91,2.07,;-3.91,4.38,;-2.58,3.61,;-1.25,4.38,;.09,2.07,;.09,3.61,;1.42,1.3,;1.42,-.24,;.09,-1.01,)|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:22.22,(-11.74,3.56,;-10.4,2.79,;-10.4,1.25,;-9.07,3.56,;-7.74,2.79,;-7.74,1.25,;-6.4,.48,;-5.07,1.25,;-5.07,2.79,;-3.74,3.56,;-6.4,3.56,;-3.74,.48,;-3.74,-1.06,;-5.07,-1.83,;-5.07,-3.37,;-3.74,-4.14,;-2.4,-3.37,;-.94,-3.85,;-.38,-2.53,;1.16,-2.53,;1.93,-3.86,;1.93,-1.19,;3.47,-1.19,;4.24,-2.53,;5.78,-2.53,;6.55,-1.19,;5.78,.14,;4.24,.14,;6.55,1.47,;5.78,2.81,;8.09,1.47,;8.86,.14,;10.4,.14,;11.74,-.63,;11.74,.91,;8.86,2.81,;9.63,4.14,;-1.07,-1.06,;-1.07,.48,;-2.4,1.25,;-2.4,2.79,;-2.4,-1.83,)|
CC1CCC(CN1C)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(10.58,-.9,;9.04,-.9,;8.27,.43,;6.73,.43,;5.96,-.9,;6.73,-2.24,;8.27,-2.24,;9.04,-3.57,;4.42,-.9,;3.65,-2.24,;4.42,-3.57,;2.11,-2.24,;1.55,-3.56,;.09,-3.08,;-1.25,-3.85,;-2.58,-3.08,;-2.58,-1.54,;-1.25,-.77,;-1.25,.77,;-2.58,1.54,;-3.91,.77,;-5.25,1.54,;-5.25,3.08,;-6.58,3.85,;-7.91,3.08,;-9.25,3.85,;-10.58,3.08,;-10.58,1.54,;-9.25,.77,;-7.91,1.54,;-3.91,3.85,;-2.58,3.08,;-1.25,3.85,;.09,1.54,;.09,3.08,;1.42,.77,;1.42,-.77,;.09,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)CCS(C)(=O)=O)c([nH]c1=O)c23 |r,wU:25.26,(-3.46,4.33,;-4.79,3.56,;-6.12,4.33,;-7.46,3.56,;-8.79,4.33,;-10.12,3.56,;-11.46,4.33,;-12.79,3.56,;-12.79,2.02,;-11.46,1.25,;-10.12,2.02,;-7.46,2.02,;-6.12,1.25,;-4.79,2.02,;-3.46,1.25,;-3.46,-.29,;-4.79,-1.06,;-4.79,-2.6,;-3.46,-3.37,;-2.12,-2.6,;-.66,-3.07,;-.1,-1.75,;1.44,-1.75,;2.21,-.42,;2.21,-3.09,;3.75,-3.09,;4.66,-4.33,;6.12,-3.86,;6.12,-2.32,;4.66,-1.84,;7.46,-1.55,;7.46,-.01,;8.79,-2.32,;10.12,-1.55,;11.46,-2.32,;12.79,-3.09,;12.23,-.98,;10.69,-3.65,;-.79,-.29,;-.79,1.25,;-2.12,2.02,;-2.12,3.56,;-2.12,-1.06,)|
C\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:9.11,(11.74,.96,;10.2,.96,;9.43,-.38,;7.89,-.38,;7.12,.96,;7.12,-1.71,;7.89,-3.04,;7.12,-4.38,;5.58,-4.38,;4.81,-3.04,;5.58,-1.71,;3.27,-3.04,;2.5,-1.71,;3.27,-.38,;.96,-1.71,;.4,-3.03,;-1.07,-2.55,;-2.4,-3.32,;-3.74,-2.55,;-3.74,-1.01,;-2.4,-.24,;-2.4,1.3,;-3.74,2.07,;-5.07,1.3,;-6.4,2.07,;-6.4,3.61,;-7.74,4.38,;-9.07,3.61,;-10.4,4.38,;-11.74,3.61,;-11.74,2.07,;-10.4,1.3,;-9.07,2.07,;-5.07,4.38,;-3.74,3.61,;-2.4,4.38,;-1.07,2.07,;-1.07,3.61,;.27,1.3,;.27,-.24,;-1.07,-1.01,)|
CNCCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.12,(12.12,4.14,;11.35,2.81,;9.81,2.81,;9.04,1.47,;7.5,1.47,;6.73,2.81,;6.73,.14,;7.5,-1.19,;6.73,-2.53,;5.19,-2.53,;4.42,-1.19,;5.19,.14,;2.88,-1.19,;2.11,-2.53,;2.88,-3.86,;.57,-2.53,;.01,-3.85,;-1.45,-3.37,;-2.79,-4.14,;-4.12,-3.37,;-4.12,-1.83,;-2.79,-1.06,;-2.79,.48,;-4.12,1.25,;-5.45,.48,;-6.79,1.25,;-6.79,2.79,;-8.12,3.56,;-9.45,2.79,;-10.79,3.56,;-12.12,2.79,;-12.12,1.25,;-10.79,.48,;-9.45,1.25,;-5.45,3.56,;-4.12,2.79,;-2.79,3.56,;-1.45,1.25,;-1.45,2.79,;-.12,.48,;-.12,-1.06,;-1.45,-1.83,)|
Fc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wU:25.26,(-.48,4.38,;-1.81,3.61,;-3.14,4.38,;-4.48,3.61,;-5.81,4.38,;-7.14,3.61,;-8.48,4.38,;-9.81,3.61,;-9.81,2.07,;-8.48,1.3,;-7.14,2.07,;-4.48,2.07,;-3.14,1.3,;-1.81,2.07,;-.48,1.3,;-.48,-.24,;-1.81,-1.01,;-1.81,-2.55,;-.48,-3.32,;.86,-2.55,;2.32,-3.03,;2.88,-1.71,;4.42,-1.71,;5.19,-.38,;5.19,-3.04,;6.73,-3.04,;7.5,-4.38,;9.04,-4.38,;9.81,-3.04,;9.04,-1.71,;7.5,-1.71,;2.19,-.24,;2.19,1.3,;.86,2.07,;.86,3.61,;.86,-1.01,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCOC4)c([nH]c1=O)c23 |r,wU:25.26,(-.12,4.33,;-1.45,3.56,;-2.79,4.33,;-4.12,3.56,;-5.46,4.33,;-6.79,3.56,;-8.12,4.33,;-9.46,3.56,;-9.46,2.02,;-8.12,1.25,;-6.79,2.02,;-4.12,2.02,;-2.79,1.25,;-1.45,2.02,;-.12,1.25,;-.12,-.29,;-1.45,-1.06,;-1.45,-2.6,;-.12,-3.37,;1.21,-2.6,;2.68,-3.07,;3.24,-1.75,;4.78,-1.75,;5.55,-.42,;5.55,-3.09,;7.09,-3.09,;7.99,-4.33,;9.46,-3.86,;9.46,-2.32,;7.99,-1.84,;2.55,-.29,;2.55,1.25,;1.21,2.02,;1.21,3.56,;1.21,-1.06,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CN(C4)C(=O)C=C)c([nH]c1=O)c23 |(-1.18,3.85,;-2.51,3.08,;-3.85,3.85,;-5.18,3.08,;-6.52,3.85,;-7.85,3.08,;-9.18,3.85,;-10.52,3.08,;-10.52,1.54,;-9.18,.77,;-7.85,1.54,;-5.18,1.54,;-3.85,.77,;-2.51,1.54,;-1.18,.77,;-1.18,-.77,;-2.51,-1.54,;-2.51,-3.08,;-1.18,-3.85,;.15,-3.08,;1.62,-3.56,;2.18,-2.24,;3.72,-2.24,;4.49,-3.57,;4.49,-.9,;6.03,-.9,;7.12,-1.99,;8.21,-.9,;7.12,.18,;9.75,-.9,;10.52,.43,;10.52,-2.24,;9.75,-3.57,;1.49,-.77,;1.49,.77,;.15,1.54,;.15,3.08,;.15,-1.54,)|
COc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:20.20,(-9.63,3.61,;-8.3,4.38,;-6.97,3.61,;-6.97,2.07,;-5.63,1.3,;-4.3,2.07,;-4.3,3.61,;-2.97,4.38,;-5.63,4.38,;-2.97,1.3,;-2.97,-.24,;-4.3,-1.01,;-4.3,-2.55,;-2.97,-3.32,;-1.63,-2.55,;-.17,-3.03,;.39,-1.71,;1.93,-1.71,;2.7,-3.04,;2.7,-.38,;4.24,-.38,;5.01,.96,;6.55,.96,;7.32,-.38,;6.55,-1.71,;5.01,-1.71,;7.32,-3.04,;6.55,-4.38,;8.86,-3.04,;9.63,-1.71,;-.3,-.24,;-.3,1.3,;-1.63,2.07,;-1.63,3.61,;-1.63,-1.01,)|
COC[C@@H](N)C(O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.13,3.3,(12.12,4.14,;11.35,2.81,;9.81,2.81,;9.04,1.47,;9.81,.14,;7.5,1.47,;6.73,2.81,;6.73,.14,;7.5,-1.19,;6.73,-2.53,;5.19,-2.53,;4.42,-1.19,;5.19,.14,;2.88,-1.19,;2.11,-2.53,;2.88,-3.86,;.57,-2.53,;.01,-3.85,;-1.45,-3.37,;-2.79,-4.14,;-4.12,-3.37,;-4.12,-1.83,;-2.79,-1.06,;-2.79,.48,;-4.12,1.25,;-5.45,.48,;-6.79,1.25,;-6.79,2.79,;-8.12,3.56,;-9.45,2.79,;-10.79,3.56,;-12.12,2.79,;-12.12,1.25,;-10.79,.48,;-9.45,1.25,;-5.45,3.56,;-4.12,2.79,;-2.79,3.56,;-1.45,1.25,;-1.45,2.79,;-.12,.48,;-.12,-1.06,;-1.45,-1.83,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C(C)(C)N4CCOCC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-3.94,5.04,;-5.28,4.27,;-6.61,5.04,;-7.94,4.27,;-9.28,5.04,;-10.61,4.27,;-11.94,5.04,;-13.28,4.27,;-13.28,2.73,;-11.94,1.96,;-10.61,2.73,;-7.94,2.73,;-6.61,1.96,;-5.28,2.73,;-3.94,1.96,;-3.94,.42,;-5.28,-.35,;-5.28,-1.89,;-3.94,-2.66,;-2.61,-1.89,;-1.14,-2.36,;-.58,-1.04,;.96,-1.04,;1.73,-2.38,;1.73,.29,;3.27,.29,;4.04,1.62,;5.58,1.62,;6.35,.29,;5.58,-1.04,;4.04,-1.04,;6.35,-2.38,;5.58,-3.71,;7.89,-2.38,;8.66,-1.04,;10.2,-1.04,;9.43,.29,;10.97,.29,;10.97,-2.38,;10.2,-3.71,;10.97,-5.04,;12.51,-5.04,;13.28,-3.71,;12.51,-2.38,;8.66,-3.71,;9.43,-5.04,;-1.27,.42,;-1.27,1.96,;-2.61,2.73,;-2.61,4.27,;-2.61,-.35,)|
Cc1c(F)c(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CCS(C)(=O)=O)c([nH]c1=O)c23 |r,wU:26.27,(-3.17,3.08,;-4.51,2.31,;-5.84,3.08,;-5.84,4.62,;-7.17,2.31,;-8.51,3.08,;-9.84,2.31,;-11.17,3.08,;-12.51,2.31,;-12.51,.77,;-11.17,,;-9.84,.77,;-7.17,.77,;-5.84,,;-4.51,.77,;-3.17,,;-3.17,-1.54,;-4.51,-2.31,;-4.51,-3.85,;-3.17,-4.62,;-1.84,-3.85,;-.37,-4.33,;.19,-3.01,;1.73,-3.01,;2.5,-4.34,;2.5,-1.67,;4.04,-1.67,;4.81,-3.01,;6.35,-3.01,;7.12,-1.67,;6.35,-.34,;4.81,-.34,;7.12,.99,;6.35,2.33,;8.66,.99,;9.43,-.34,;10.97,-.34,;12.51,-.34,;10.97,1.2,;10.97,-1.88,;-.5,-1.54,;-.5,,;-1.84,.77,;-1.84,2.31,;-1.84,-2.31,)|
Cc1c(F)c(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CO)c([nH]c1=O)c23 |r,wU:26.27,(-1.63,3.08,;-2.97,2.31,;-4.3,3.08,;-4.3,4.62,;-5.63,2.31,;-6.97,3.08,;-8.3,2.31,;-9.63,3.08,;-10.97,2.31,;-10.97,.77,;-9.63,,;-8.3,.77,;-5.63,.77,;-4.3,,;-2.97,.77,;-1.63,,;-1.63,-1.54,;-2.97,-2.31,;-2.97,-3.85,;-1.63,-4.62,;-.3,-3.85,;1.17,-4.33,;1.73,-3.01,;3.27,-3.01,;4.04,-4.34,;4.04,-1.67,;5.58,-1.67,;6.35,-3.01,;7.89,-3.01,;8.66,-1.67,;7.89,-.34,;6.35,-.34,;8.66,.99,;7.89,2.33,;10.2,.99,;10.97,2.33,;1.04,-1.54,;1.04,,;-.3,.77,;-.3,2.31,;-.3,-2.31,)|
COCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)c(F)c4C)c(=O)[nH]c1c23 |r,wU:9.11,(11.74,2.33,;10.2,2.33,;9.43,.99,;7.89,.99,;7.12,2.33,;7.12,-.34,;7.89,-1.67,;7.12,-3.01,;5.58,-3.01,;4.81,-1.67,;5.58,-.34,;3.27,-1.67,;2.5,-3.01,;3.27,-4.34,;.96,-3.01,;.4,-4.33,;-1.07,-3.85,;-2.4,-4.62,;-3.73,-3.85,;-3.73,-2.31,;-2.4,-1.54,;-2.4,,;-3.73,.77,;-5.07,,;-6.4,.77,;-6.4,2.31,;-7.74,3.08,;-9.07,2.31,;-10.4,3.08,;-11.74,2.31,;-11.74,.77,;-10.4,,;-9.07,.77,;-5.07,3.08,;-5.07,4.62,;-3.73,2.31,;-2.4,3.08,;-1.07,.77,;-1.07,2.31,;.27,,;.27,-1.54,;-1.07,-2.31,)|
C\C=C/C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:9.11,(10.2,-1.71,;10.97,-3.04,;10.2,-4.38,;8.66,-4.38,;7.89,-5.71,;7.89,-3.04,;8.66,-1.71,;7.89,-.38,;6.35,-.38,;5.58,-1.71,;6.35,-3.04,;4.04,-1.71,;3.27,-.38,;4.04,.96,;1.73,-.38,;1.17,-1.69,;-.3,-1.22,;-1.63,-1.99,;-2.97,-1.22,;-2.97,.32,;-1.63,1.09,;-1.63,2.63,;-2.97,3.4,;-4.3,2.63,;-5.63,3.4,;-5.63,4.94,;-6.97,5.71,;-8.3,4.94,;-9.63,5.71,;-10.97,4.94,;-10.97,3.4,;-9.63,2.63,;-8.3,3.4,;-4.3,5.71,;-2.97,4.94,;-1.63,5.71,;-.3,3.4,;-.3,4.94,;1.04,2.63,;1.04,1.09,;-.3,.32,)|
CN1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:4.6,(10.08,.77,;8.83,-.13,;8.83,-1.67,;7.37,-2.15,;6.46,-.9,;7.37,.34,;4.92,-.9,;4.15,-2.24,;4.92,-3.57,;2.61,-2.24,;2.05,-3.56,;.59,-3.08,;-.74,-3.85,;-2.08,-3.08,;-2.08,-1.54,;-.74,-.77,;-.74,.77,;-2.08,1.54,;-3.41,.77,;-4.75,1.54,;-4.75,3.08,;-6.08,3.85,;-7.41,3.08,;-8.75,3.85,;-10.08,3.08,;-10.08,1.54,;-8.75,.77,;-7.41,1.54,;-3.41,3.85,;-2.08,3.08,;-.74,3.85,;.59,1.54,;.59,3.08,;1.92,.77,;1.92,-.77,;.59,-1.54,)|
CC(C)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:6.8,(10.79,-2.32,;9.46,-1.55,;9.46,-.01,;8.12,-2.32,;8.12,-3.86,;6.66,-4.33,;5.75,-3.09,;6.66,-1.84,;4.21,-3.09,;3.44,-1.75,;4.21,-.42,;1.9,-1.75,;1.34,-3.07,;-.12,-2.6,;-1.45,-3.37,;-2.79,-2.6,;-2.79,-1.06,;-1.45,-.29,;-1.45,1.25,;-2.79,2.02,;-4.12,1.25,;-5.46,2.02,;-5.46,3.56,;-6.79,4.33,;-8.12,3.56,;-9.46,4.33,;-10.79,3.56,;-10.79,2.02,;-9.46,1.25,;-8.12,2.02,;-4.12,4.33,;-2.79,3.56,;-1.45,4.33,;-.12,2.02,;-.12,3.56,;1.21,1.25,;1.21,-.29,;-.12,-1.06,)|
CCc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:20.20,(-8.99,-4.14,;-7.51,-4.56,;-6.4,-3.49,;-6.77,-2,;-5.67,-.93,;-4.19,-1.35,;-3.81,-2.85,;-2.33,-3.27,;-4.92,-3.92,;-3.08,-.28,;-3.59,1.48,;-4.92,2.25,;-4.92,3.79,;-3.59,4.56,;-2.25,3.79,;-.79,4.27,;.12,3.02,;1.66,3.02,;2.43,4.36,;2.43,1.69,;3.97,1.69,;4.87,2.94,;6.33,2.46,;6.33,.92,;4.87,.45,;7.58,.02,;8.99,.64,;7.42,-1.52,;8.67,-2.42,;-.79,1.78,;-.47,.27,;-1.61,-.76,;-1.29,-2.26,;-2.25,2.25,)|
COC[C@H](N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.13,wD:3.3,(12.12,2.29,;11.35,.96,;9.81,.96,;9.04,-.38,;9.81,-1.71,;7.5,-.38,;6.73,.96,;6.73,-1.71,;7.5,-3.04,;6.73,-4.38,;5.19,-4.38,;4.42,-3.04,;5.19,-1.71,;2.88,-3.04,;2.11,-1.71,;2.88,-.38,;.57,-1.71,;.01,-3.03,;-1.45,-2.55,;-2.79,-3.32,;-4.12,-2.55,;-4.12,-1.01,;-2.79,-.24,;-2.79,1.3,;-4.12,2.07,;-5.45,1.3,;-6.79,2.07,;-6.79,3.61,;-8.12,4.38,;-9.45,3.61,;-10.79,4.38,;-12.12,3.61,;-12.12,2.07,;-10.79,1.3,;-9.45,2.07,;-5.45,4.38,;-4.12,3.61,;-2.79,4.38,;-1.45,2.07,;-1.45,3.61,;-.12,1.3,;-.12,-.24,;-1.45,-1.01,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nn4)c(=O)[nH]c1c23 |r|
COC[C@H](O)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:3.3,wD:11.13,(12.12,-5.04,;11.35,-3.71,;9.81,-3.71,;9.04,-2.38,;9.81,-1.04,;7.5,-2.38,;6.73,-3.71,;6.73,-1.04,;7.5,.29,;6.73,1.62,;5.19,1.62,;4.42,.29,;5.19,-1.04,;2.88,.29,;2.11,-1.04,;2.88,-2.38,;.57,-1.04,;.01,-2.36,;-1.45,-1.89,;-2.79,-2.66,;-4.12,-1.89,;-4.12,-.35,;-2.79,.42,;-2.79,1.96,;-4.12,2.73,;-5.45,1.96,;-6.79,2.73,;-6.79,4.27,;-8.12,5.04,;-9.45,4.27,;-10.79,5.04,;-12.12,4.27,;-12.12,2.73,;-10.79,1.96,;-9.45,2.73,;-5.45,5.04,;-4.12,4.27,;-2.79,5.04,;-1.45,2.73,;-1.45,4.27,;-.12,1.96,;-.12,.42,;-1.45,-.35,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCOCC4)c([nH]c1=O)c23 |(-.48,3.85,;-1.81,3.08,;-3.14,3.85,;-4.48,3.08,;-5.81,3.85,;-7.14,3.08,;-8.48,3.85,;-9.81,3.08,;-9.81,1.54,;-8.48,.77,;-7.14,1.54,;-4.48,1.54,;-3.14,.77,;-1.81,1.54,;-.48,.77,;-.48,-.77,;-1.81,-1.54,;-1.81,-3.08,;-.48,-3.85,;.86,-3.08,;2.32,-3.56,;2.88,-2.24,;4.42,-2.24,;5.19,-3.57,;5.19,-.9,;6.73,-.9,;7.5,-2.24,;9.04,-2.24,;9.81,-.9,;9.04,.43,;7.5,.43,;2.19,-.77,;2.19,.77,;.86,1.54,;.86,3.08,;.86,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CO)c([nH]c1=O)c23 |r,wU:25.26,(-1.63,4.38,;-2.97,3.61,;-4.3,4.38,;-5.63,3.61,;-6.97,4.38,;-8.3,3.61,;-9.63,4.38,;-10.97,3.61,;-10.97,2.07,;-9.63,1.3,;-8.3,2.07,;-5.63,2.07,;-4.3,1.3,;-2.97,2.07,;-1.63,1.3,;-1.63,-.24,;-2.97,-1.01,;-2.97,-2.55,;-1.63,-3.32,;-.3,-2.55,;1.17,-3.03,;1.73,-1.71,;3.27,-1.71,;4.04,-.38,;4.04,-3.04,;5.58,-3.04,;6.35,-4.38,;7.89,-4.38,;8.66,-3.04,;7.89,-1.71,;6.35,-1.71,;8.66,-.38,;7.89,.96,;10.2,-.38,;10.97,-1.71,;1.04,-.24,;1.04,1.3,;-.3,2.07,;-.3,3.61,;-.3,-1.01,)|
CN1CC[C@@H](C1)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:12.15,wD:4.6,(12.39,1.3,;11.14,.39,;11.14,-1.15,;9.68,-1.62,;8.77,-.38,;9.68,.87,;7.23,-.38,;6.46,.96,;6.46,-1.71,;7.23,-3.04,;6.46,-4.38,;4.92,-4.38,;4.15,-3.04,;4.92,-1.71,;2.61,-3.04,;1.84,-1.71,;2.61,-.38,;.3,-1.71,;-.26,-3.03,;-1.72,-2.55,;-3.05,-3.32,;-4.39,-2.55,;-4.39,-1.01,;-3.05,-.24,;-3.05,1.3,;-4.39,2.07,;-5.72,1.3,;-7.06,2.07,;-7.06,3.61,;-8.39,4.38,;-9.72,3.61,;-11.06,4.38,;-12.39,3.61,;-12.39,2.07,;-11.06,1.3,;-9.72,2.07,;-5.72,4.38,;-4.39,3.61,;-3.05,4.38,;-1.72,2.07,;-1.72,3.61,;-.39,1.3,;-.39,-.24,;-1.72,-1.01,)|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-10.12,5.64,;-8.79,4.87,;-8.79,3.33,;-7.46,5.64,;-6.12,4.87,;-6.12,3.33,;-4.79,2.56,;-3.46,3.33,;-3.46,4.87,;-2.12,5.64,;-4.79,5.64,;-2.12,2.56,;-2.12,1.02,;-3.46,.25,;-3.46,-1.29,;-2.12,-2.06,;-.79,-1.29,;.68,-1.77,;1.24,-.45,;2.78,-.45,;3.55,.88,;3.55,-1.79,;5.09,-1.79,;5.99,-.54,;7.46,-1.02,;7.46,-2.56,;5.99,-3.03,;8.79,-3.33,;10.12,-2.56,;8.79,-4.87,;10.12,-5.64,;.55,1.02,;.55,2.56,;-.79,3.33,;-.79,4.87,;-.79,.25,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.81,1.76,;9.04,.43,;9.81,-.9,;9.04,-2.24,;7.5,-2.24,;6.73,-.9,;7.5,.43,;5.19,-.9,;4.42,-2.24,;5.19,-3.57,;2.88,-2.24,;2.32,-3.56,;.86,-3.08,;-.48,-3.85,;-1.81,-3.08,;-1.81,-1.54,;-.48,-.77,;-.48,.77,;-1.81,1.54,;-3.14,.77,;-4.48,1.54,;-4.48,3.08,;-5.81,3.85,;-7.14,3.08,;-8.48,3.85,;-9.81,3.08,;-9.81,1.54,;-8.48,.77,;-7.14,1.54,;-3.14,3.85,;-1.81,3.08,;-.48,3.85,;.86,1.54,;.86,3.08,;2.19,.77,;2.19,-.77,;.86,-1.54,)|
Cc1c(F)c(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CCO)c([nH]c1=O)c23 |r,wU:26.27,(-2.4,3.08,;-3.74,2.31,;-5.07,3.08,;-5.07,4.62,;-6.4,2.31,;-7.74,3.08,;-9.07,2.31,;-10.4,3.08,;-11.74,2.31,;-11.74,.77,;-10.4,,;-9.07,.77,;-6.4,.77,;-5.07,,;-3.74,.77,;-2.4,,;-2.4,-1.54,;-3.74,-2.31,;-3.74,-3.85,;-2.4,-4.62,;-1.07,-3.85,;.4,-4.33,;.96,-3.01,;2.5,-3.01,;3.27,-4.34,;3.27,-1.67,;4.81,-1.67,;5.58,-3.01,;7.12,-3.01,;7.89,-1.67,;7.12,-.34,;5.58,-.34,;7.89,.99,;7.12,2.33,;9.43,.99,;10.2,2.33,;11.74,2.33,;.27,-1.54,;.27,,;-1.07,.77,;-1.07,2.31,;-1.07,-2.31,)|
CN1CCOCC(C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(8.67,.5,;8.67,-1.04,;9.91,-1.95,;9.97,-3.49,;8.8,-4.56,;7.3,-4.22,;6.57,-2.86,;7.18,-1.45,;5.03,-2.86,;4.26,-1.53,;5.03,-.2,;2.72,-1.53,;2.16,-2.85,;.7,-2.37,;-.64,-3.14,;-1.97,-2.37,;-1.97,-.83,;-.64,-.06,;-.64,1.48,;-1.97,2.25,;-3.3,1.48,;-4.64,2.25,;-4.64,3.79,;-5.97,4.56,;-7.31,3.79,;-8.64,4.56,;-9.97,3.79,;-9.97,2.25,;-8.64,1.48,;-7.31,2.25,;-3.3,4.56,;-1.97,3.79,;-.64,4.56,;.7,2.25,;.7,3.79,;2.03,1.48,;2.03,-.06,;.7,-.83,)|
CN(C)CCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.13,(12.12,4.14,;11.35,2.81,;12.12,1.47,;9.81,2.81,;9.04,1.47,;7.5,1.47,;6.73,2.81,;6.73,.14,;7.5,-1.19,;6.73,-2.53,;5.19,-2.53,;4.42,-1.19,;5.19,.14,;2.88,-1.19,;2.11,-2.53,;2.88,-3.86,;.57,-2.53,;.01,-3.85,;-1.45,-3.37,;-2.79,-4.14,;-4.12,-3.37,;-4.12,-1.83,;-2.79,-1.06,;-2.79,.48,;-4.12,1.25,;-5.45,.48,;-6.79,1.25,;-6.79,2.79,;-8.12,3.56,;-9.46,2.79,;-10.79,3.56,;-12.12,2.79,;-12.12,1.25,;-10.79,.48,;-9.46,1.25,;-5.45,3.56,;-4.12,2.79,;-2.79,3.56,;-1.45,1.25,;-1.45,2.79,;-.12,.48,;-.12,-1.06,;-1.45,-1.83,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)[C@H]4CCNC4)c([nH]c1=O)c23 |r,wU:25.26,wD:33.35,(-2.43,3.85,;-3.77,3.08,;-5.1,3.85,;-6.43,3.08,;-7.77,3.85,;-9.1,3.08,;-10.43,3.85,;-11.77,3.08,;-11.77,1.54,;-10.43,.77,;-9.1,1.54,;-6.43,1.54,;-5.1,.77,;-3.77,1.54,;-2.43,.77,;-2.43,-.77,;-3.77,-1.54,;-3.77,-3.08,;-2.43,-3.85,;-1.1,-3.08,;.37,-3.56,;.93,-2.24,;2.47,-2.24,;3.24,-3.57,;3.24,-.9,;4.78,-.9,;5.55,-2.24,;7.09,-2.24,;7.86,-.9,;7.09,.43,;5.55,.43,;7.86,1.76,;7.09,3.1,;9.4,1.76,;10.3,.52,;11.77,.99,;11.77,2.53,;10.3,3.01,;.24,-.77,;.24,.77,;-1.1,1.54,;-1.1,3.08,;-1.1,-1.54,)|
CN1C[C@@H](F)[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,3.3,(10.08,.77,;8.83,-.13,;8.83,-1.67,;7.37,-2.15,;6.89,-3.61,;6.46,-.9,;7.37,.34,;4.92,-.9,;4.15,-2.24,;4.92,-3.57,;2.61,-2.24,;2.05,-3.56,;.59,-3.08,;-.74,-3.85,;-2.08,-3.08,;-2.08,-1.54,;-.74,-.77,;-.74,.77,;-2.08,1.54,;-3.41,.77,;-4.75,1.54,;-4.75,3.08,;-6.08,3.85,;-7.41,3.08,;-8.75,3.85,;-10.08,3.08,;-10.08,1.54,;-8.75,.77,;-7.41,1.54,;-3.41,3.85,;-2.08,3.08,;-.74,3.85,;.59,1.54,;.59,3.08,;1.92,.77,;1.92,-.77,;.59,-1.54,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4Cl)c(=O)[nH]c1c23 |r,wU:5.7,(9.81,-.38,;9.04,-1.71,;9.81,-3.04,;9.04,-4.38,;7.5,-4.38,;6.73,-3.04,;7.5,-1.71,;5.19,-3.04,;4.42,-1.71,;5.19,-.38,;2.88,-1.71,;2.32,-3.03,;.86,-2.55,;-.48,-3.32,;-1.81,-2.55,;-1.81,-1.01,;-.48,-.24,;-.48,1.3,;-1.81,2.07,;-3.14,1.3,;-4.48,2.07,;-4.48,3.61,;-5.81,4.38,;-7.14,3.61,;-8.48,4.38,;-9.81,3.61,;-9.81,2.07,;-8.48,1.3,;-7.14,2.07,;-3.14,4.38,;-1.81,3.61,;-.48,4.38,;.86,2.07,;.86,3.61,;2.19,1.3,;2.19,-.24,;.86,-1.01,)|
CN(C)C(C)(C)\C=C(\C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:16.18,(9.43,4.67,;10.2,3.33,;11.74,3.33,;9.43,2,;8.66,3.33,;7.94,1.6,;10.2,.67,;9.43,-.67,;10.2,-2,;10.97,-3.33,;7.89,-.67,;7.12,.67,;7.12,-2,;7.89,-3.33,;7.12,-4.67,;5.58,-4.67,;4.81,-3.33,;5.58,-2,;3.27,-3.33,;2.5,-2,;3.27,-.67,;.96,-2,;.4,-3.32,;-1.07,-2.84,;-2.4,-3.61,;-3.74,-2.84,;-3.74,-1.3,;-2.4,-.53,;-2.4,1.01,;-3.74,1.78,;-5.07,1.01,;-6.4,1.78,;-6.4,3.32,;-7.74,4.09,;-9.07,3.32,;-10.4,4.09,;-11.74,3.32,;-11.74,1.78,;-10.4,1.01,;-9.07,1.78,;-5.07,4.09,;-3.74,3.32,;-2.4,4.09,;-1.07,1.78,;-1.07,3.32,;.27,1.01,;.27,-.53,;-1.07,-1.3,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4F)c(=O)[nH]c1c23 |r,wU:5.7,(9.81,-.38,;9.04,-1.71,;9.81,-3.04,;9.04,-4.38,;7.5,-4.38,;6.73,-3.04,;7.5,-1.71,;5.19,-3.04,;4.42,-1.71,;5.19,-.38,;2.88,-1.71,;2.32,-3.03,;.86,-2.55,;-.48,-3.32,;-1.81,-2.55,;-1.81,-1.01,;-.48,-.24,;-.48,1.3,;-1.81,2.07,;-3.14,1.3,;-4.48,2.07,;-4.48,3.61,;-5.81,4.38,;-7.14,3.61,;-8.48,4.38,;-9.81,3.61,;-9.81,2.07,;-8.48,1.3,;-7.14,2.07,;-3.14,4.38,;-1.81,3.61,;-.48,4.38,;.86,2.07,;.86,3.61,;2.19,1.3,;2.19,-.24,;.86,-1.01,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C4COC4)c([nH]c1=O)c23 |r,wD:25.26,(-2.34,4.38,;-3.67,3.61,;-5,4.38,;-6.34,3.61,;-7.67,4.38,;-9,3.61,;-10.34,4.38,;-11.67,3.61,;-11.67,2.07,;-10.34,1.3,;-9,2.07,;-6.34,2.07,;-5,1.3,;-3.67,2.07,;-2.34,1.3,;-2.34,-.24,;-3.67,-1.01,;-3.67,-2.55,;-2.34,-3.32,;-1,-2.55,;.46,-3.03,;1.02,-1.71,;2.56,-1.71,;3.33,-3.04,;3.33,-.38,;4.87,-.38,;5.64,.96,;7.18,.96,;7.95,-.38,;7.18,-1.71,;5.64,-1.71,;7.95,-3.04,;7.18,-4.38,;9.49,-3.04,;10.58,-4.13,;11.67,-3.04,;10.58,-1.96,;.33,-.24,;.33,1.3,;-1,2.07,;-1,3.61,;-1,-1.01,)|
CN([C@@H]1CCN(C1)C(=O)C=C)C(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:2.1,(3.44,-3.5,;4.21,-2.17,;5.75,-2.17,;6.66,-.92,;8.12,-1.4,;8.12,-2.94,;6.66,-3.42,;9.46,-3.71,;9.46,-5.25,;10.79,-2.94,;10.79,-1.4,;3.44,-.84,;4.21,.5,;1.9,-.84,;1.34,-2.16,;-.12,-1.68,;-1.45,-2.45,;-2.79,-1.68,;-2.79,-.14,;-1.45,.63,;-1.45,2.17,;-2.79,2.94,;-4.12,2.17,;-5.46,2.94,;-5.46,4.48,;-6.79,5.25,;-8.12,4.48,;-9.46,5.25,;-10.79,4.48,;-10.79,2.94,;-9.46,2.17,;-8.12,2.94,;-4.12,5.25,;-2.79,4.48,;-1.45,5.25,;-.12,2.94,;-.12,4.48,;1.21,2.17,;1.21,.63,;-.12,-.14,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CNC[C@H](F)C4)c([nH]c1=O)c23 |r,wU:29.31,wD:25.26,(-.55,3.85,;-1.89,3.08,;-3.22,3.85,;-4.55,3.08,;-5.89,3.85,;-7.22,3.08,;-8.55,3.85,;-9.89,3.08,;-9.89,1.54,;-8.55,.77,;-7.22,1.54,;-4.55,1.54,;-3.22,.77,;-1.89,1.54,;-.55,.77,;-.55,-.77,;-1.89,-1.54,;-1.89,-3.08,;-.55,-3.85,;.78,-3.08,;2.12,-3.85,;2.96,-2.27,;4.5,-2.27,;5.27,-3.6,;5.27,-.93,;6.81,-.93,;7.58,-2.27,;9.12,-2.27,;9.89,-.93,;9.12,.4,;9.89,1.73,;7.58,.4,;2.12,-.77,;2.12,.77,;.78,1.54,;.78,3.08,;.78,-1.54,)|
COCCC(=O)N1C[C@H](O)[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.12,wD:8.8,(12.87,.61,;11.53,-.16,;10.2,.61,;8.87,-.16,;7.53,.61,;7.53,2.15,;6.2,-.16,;6.2,-1.7,;4.73,-2.18,;4.34,-3.67,;3.83,-.93,;4.73,.31,;2.29,-.93,;1.52,-2.27,;2.29,-3.6,;-.02,-2.27,;-.86,-3.85,;-2.2,-3.08,;-3.53,-3.85,;-4.86,-3.08,;-4.86,-1.54,;-3.53,-.77,;-3.53,.77,;-4.86,1.54,;-6.2,.77,;-7.53,1.54,;-7.53,3.08,;-8.87,3.85,;-10.2,3.08,;-11.53,3.85,;-12.87,3.08,;-12.87,1.54,;-11.53,.77,;-10.2,1.54,;-6.2,3.85,;-4.86,3.08,;-3.53,3.85,;-2.2,1.54,;-2.2,3.08,;-.86,.77,;-.86,-.77,;-2.2,-1.54,)|
CC(C)=C(C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:12.14,(11.81,.94,;10.27,.94,;9.5,2.28,;9.5,-.39,;10.27,-1.73,;11.04,-3.06,;7.96,-.39,;7.19,.94,;7.19,-1.73,;7.96,-3.06,;7.19,-4.39,;5.65,-4.39,;4.88,-3.06,;5.65,-1.73,;3.34,-3.06,;2.57,-1.73,;3.34,-.39,;1.03,-1.73,;.19,-3.31,;-1.14,-2.54,;-2.48,-3.31,;-3.81,-2.54,;-3.81,-1,;-2.48,-.23,;-2.48,1.31,;-3.81,2.08,;-5.14,1.31,;-6.48,2.08,;-6.48,3.62,;-7.81,4.39,;-9.15,3.62,;-10.48,4.39,;-11.81,3.62,;-11.81,2.08,;-10.48,1.31,;-9.15,2.08,;-5.14,4.39,;-3.81,3.62,;-2.48,4.39,;-1.14,2.08,;-1.14,3.62,;.19,1.31,;.19,-.23,;-1.14,-1,)|
CCN1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(10.87,-2.33,;9.53,-1.56,;8.2,-2.33,;8.2,-3.87,;6.73,-4.35,;5.83,-3.1,;6.73,-1.86,;4.29,-3.1,;3.52,-1.77,;4.29,-.44,;1.98,-1.77,;1.14,-3.35,;-.2,-2.58,;-1.53,-3.35,;-2.86,-2.58,;-2.86,-1.04,;-1.53,-.27,;-1.53,1.27,;-2.86,2.04,;-4.2,1.27,;-5.53,2.04,;-5.53,3.58,;-6.87,4.35,;-8.2,3.58,;-9.53,4.35,;-10.87,3.58,;-10.87,2.04,;-9.53,1.27,;-8.2,2.04,;-4.2,4.35,;-2.86,3.58,;-1.53,4.35,;-.2,2.04,;-.2,3.58,;1.14,1.27,;1.14,-.27,;-.2,-1.04,)|
COC[C@H](OC)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:3.3,wD:12.14,(12.2,-3.06,;11.43,-4.39,;9.89,-4.39,;9.12,-3.06,;9.89,-1.73,;11.43,-1.73,;7.58,-3.06,;6.81,-4.39,;6.81,-1.73,;7.58,-.39,;6.81,.94,;5.27,.94,;4.5,-.39,;5.27,-1.73,;2.96,-.39,;2.19,-1.73,;2.96,-3.06,;.65,-1.73,;-.19,-3.31,;-1.53,-2.54,;-2.86,-3.31,;-4.2,-2.54,;-4.2,-1,;-2.86,-.23,;-2.86,1.31,;-4.2,2.08,;-5.53,1.31,;-6.86,2.08,;-6.86,3.62,;-8.2,4.39,;-9.53,3.62,;-10.86,4.39,;-12.2,3.62,;-12.2,2.08,;-10.86,1.31,;-9.53,2.08,;-5.53,4.39,;-4.2,3.62,;-2.86,4.39,;-1.53,2.08,;-1.53,3.62,;-.19,1.31,;-.19,-.23,;-1.53,-1,)|
COC[C@@H](O)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:11.13,3.3,(12.2,-5.06,;11.43,-3.73,;9.89,-3.73,;9.12,-2.39,;9.89,-1.06,;7.58,-2.39,;6.81,-3.73,;6.81,-1.06,;7.58,.28,;6.81,1.61,;5.27,1.61,;4.5,.28,;5.27,-1.06,;2.96,.28,;2.19,-1.06,;2.96,-2.39,;.65,-1.06,;-.19,-2.64,;-1.53,-1.87,;-2.86,-2.64,;-4.2,-1.87,;-4.2,-.33,;-2.86,.44,;-2.86,1.98,;-4.2,2.75,;-5.53,1.98,;-6.86,2.75,;-6.86,4.29,;-8.2,5.06,;-9.53,4.29,;-10.86,5.06,;-12.2,4.29,;-12.2,2.75,;-10.86,1.98,;-9.53,2.75,;-5.53,5.06,;-4.2,4.29,;-2.86,5.06,;-1.53,2.75,;-1.53,4.29,;-.19,1.98,;-.19,.44,;-1.53,-.33,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C)C(F)(F)F)c([nH]c1=O)c23 |r,wU:25.26,(-2.48,3.57,;-3.81,2.8,;-5.14,3.57,;-6.48,2.8,;-7.81,3.57,;-9.15,2.8,;-10.48,3.57,;-11.81,2.8,;-11.81,1.26,;-10.48,.49,;-9.15,1.26,;-6.48,1.26,;-5.14,.49,;-3.81,1.26,;-2.48,.49,;-2.48,-1.05,;-3.81,-1.82,;-3.81,-3.36,;-2.48,-4.13,;-1.14,-3.36,;.19,-4.13,;1.03,-2.54,;2.57,-2.54,;3.34,-3.88,;3.34,-1.21,;4.88,-1.21,;5.65,-2.54,;7.19,-2.54,;7.96,-1.21,;7.19,.12,;5.65,.12,;7.96,1.46,;7.19,2.79,;9.5,1.46,;10.27,.12,;10.27,2.79,;11.81,2.79,;9.5,4.13,;11.04,4.13,;.19,-1.05,;.19,.49,;-1.14,1.26,;-1.14,2.8,;-1.14,-1.82,)|
CN1CC[C@H](C1)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:12.15,4.6,(12.51,3.27,;11.18,2.5,;11.18,.96,;9.71,.49,;8.81,1.73,;9.71,2.98,;7.27,1.73,;6.5,3.07,;6.5,.4,;7.27,-.93,;6.5,-2.27,;4.96,-2.27,;4.19,-.93,;4.96,.4,;2.65,-.93,;1.88,-2.27,;2.65,-3.6,;.34,-2.27,;-.51,-3.85,;-1.84,-3.08,;-3.17,-3.85,;-4.51,-3.08,;-4.51,-1.54,;-3.17,-.77,;-3.17,.77,;-4.51,1.54,;-5.84,.77,;-7.18,1.54,;-7.18,3.08,;-8.51,3.85,;-9.84,3.08,;-11.18,3.85,;-12.51,3.08,;-12.51,1.54,;-11.18,.77,;-9.84,1.54,;-5.84,3.85,;-4.51,3.08,;-3.17,3.85,;-1.84,1.54,;-1.84,3.08,;-.51,.77,;-.51,-.77,;-1.84,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CCS(C)(=O)=O)c([nH]c1=O)c23 |r,wU:25.26,(-3.25,3.85,;-4.58,3.08,;-5.91,3.85,;-7.25,3.08,;-8.58,3.85,;-9.91,3.08,;-11.25,3.85,;-12.58,3.08,;-12.58,1.54,;-11.25,.77,;-9.91,1.54,;-7.25,1.54,;-5.91,.77,;-4.58,1.54,;-3.25,.77,;-3.25,-.77,;-4.58,-1.54,;-4.58,-3.08,;-3.25,-3.85,;-1.91,-3.08,;-.58,-3.85,;.26,-2.27,;1.8,-2.27,;2.57,-3.6,;2.57,-.93,;4.11,-.93,;4.88,-2.27,;6.42,-2.27,;7.19,-.93,;6.42,.4,;4.88,.4,;7.19,1.73,;6.42,3.07,;8.73,1.73,;9.5,.4,;11.04,.4,;12.58,.4,;11.04,1.94,;11.04,-1.14,;-.58,-.77,;-.58,.77,;-1.91,1.54,;-1.91,3.08,;-1.91,-1.54,)|
CN1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:4.6,(10.2,-2.47,;8.87,-1.7,;8.87,-.16,;7.4,.31,;6.5,-.93,;7.4,-2.18,;4.96,-.93,;4.19,-2.27,;4.96,-3.6,;2.65,-2.27,;1.8,-3.85,;.47,-3.08,;-.86,-3.85,;-2.2,-3.08,;-2.2,-1.54,;-.86,-.77,;-.86,.77,;-2.2,1.54,;-3.53,.77,;-4.86,1.54,;-4.86,3.08,;-6.2,3.85,;-7.53,3.08,;-8.87,3.85,;-10.2,3.08,;-10.2,1.54,;-8.87,.77,;-7.53,1.54,;-3.53,3.85,;-2.2,3.08,;-.86,3.85,;.47,1.54,;.47,3.08,;1.8,.77,;1.8,-.77,;.47,-1.54,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5C)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.9,-1.15,;9.13,-2.48,;9.9,-3.82,;9.13,-5.15,;7.59,-5.15,;6.82,-3.82,;7.59,-2.48,;5.28,-3.82,;4.48,-2.5,;5.22,-1.15,;2.94,-2.51,;2.1,-4.09,;.77,-3.32,;-.57,-4.09,;-1.9,-3.32,;-1.9,-1.78,;-.57,-1.01,;-.57,.53,;-1.9,1.3,;-3.23,.53,;-4.57,1.3,;-4.57,2.84,;-5.9,3.61,;-7.24,2.84,;-7.24,1.3,;-8.57,.53,;-9.9,1.3,;-9.9,2.84,;-8.57,3.61,;-8.57,5.15,;-3.23,3.61,;-1.9,2.84,;-.57,3.61,;.77,1.3,;.77,2.84,;2.1,.53,;2.1,-1.01,;.77,-1.78,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C4CC4)c([nH]c1=O)c23 |r,wU:25.26,(-1.63,4.35,;-2.97,3.58,;-4.3,4.35,;-5.64,3.58,;-6.97,4.35,;-8.3,3.58,;-9.64,4.35,;-10.97,3.58,;-10.97,2.04,;-9.64,1.27,;-8.3,2.04,;-5.64,2.04,;-4.3,1.27,;-2.97,2.04,;-1.63,1.27,;-1.63,-.27,;-2.97,-1.04,;-2.97,-2.58,;-1.63,-3.35,;-.3,-2.58,;1.03,-3.35,;1.88,-1.77,;3.42,-1.77,;4.19,-.44,;4.19,-3.1,;5.73,-3.1,;6.63,-4.35,;8.1,-3.87,;8.1,-2.33,;6.63,-1.86,;9.43,-1.56,;10.97,-1.56,;10.2,-.23,;1.03,-.27,;1.03,1.27,;-.3,2.04,;-.3,3.58,;-.3,-1.04,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C(C)(C)N4CCCCC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-4.03,5.06,;-5.36,4.29,;-6.69,5.06,;-8.03,4.29,;-9.36,5.06,;-10.69,4.29,;-12.03,5.06,;-13.36,4.29,;-13.36,2.75,;-12.03,1.98,;-10.69,2.75,;-8.03,2.75,;-6.69,1.98,;-5.36,2.75,;-4.03,1.98,;-4.03,.44,;-5.36,-.33,;-5.36,-1.87,;-4.03,-2.64,;-2.69,-1.87,;-1.36,-2.64,;-.52,-1.06,;1.02,-1.06,;1.79,-2.39,;1.79,.28,;3.33,.28,;4.1,1.61,;5.64,1.61,;6.41,.28,;5.64,-1.06,;4.1,-1.06,;6.41,-2.39,;5.64,-3.73,;7.95,-2.39,;8.72,-3.73,;10.26,-3.73,;11.03,-5.06,;9.49,-5.06,;11.03,-2.39,;12.59,-2.39,;13.36,-1.06,;12.59,.28,;11.05,.28,;10.28,-1.06,;8.72,-1.06,;9.49,.28,;-1.36,.44,;-1.36,1.98,;-2.69,2.75,;-2.69,4.29,;-2.69,-.33,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CN)c([nH]c1=O)c23 |r,wU:25.26,(-1.71,4.39,;-3.04,3.62,;-4.37,4.39,;-5.71,3.62,;-7.04,4.39,;-8.38,3.62,;-9.71,4.39,;-11.04,3.62,;-11.04,2.08,;-9.71,1.31,;-8.38,2.08,;-5.71,2.08,;-4.37,1.31,;-3.04,2.08,;-1.71,1.31,;-1.71,-.23,;-3.04,-1,;-3.04,-2.54,;-1.71,-3.31,;-.37,-2.54,;.96,-3.31,;1.8,-1.73,;3.34,-1.73,;4.11,-.39,;4.11,-3.06,;5.65,-3.06,;6.42,-4.39,;7.96,-4.39,;8.73,-3.06,;7.96,-1.73,;6.42,-1.73,;8.73,-.39,;7.96,.94,;10.27,-.39,;11.04,.94,;.96,-.23,;.96,1.31,;-.37,2.08,;-.37,3.62,;-.37,-1,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C(C)(C)NC4CC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-4.3,5.06,;-5.63,4.29,;-6.97,5.06,;-8.3,4.29,;-9.63,5.06,;-10.97,4.29,;-12.3,5.06,;-13.64,4.29,;-13.64,2.75,;-12.3,1.98,;-10.97,2.75,;-8.3,2.75,;-6.97,1.98,;-5.63,2.75,;-4.3,1.98,;-4.3,.44,;-5.63,-.33,;-5.63,-1.87,;-4.3,-2.64,;-2.97,-1.87,;-1.63,-2.64,;-.79,-1.06,;.75,-1.06,;1.52,-2.39,;1.52,.28,;3.06,.28,;3.83,1.61,;5.37,1.61,;6.14,.28,;5.37,-1.06,;3.83,-1.06,;6.14,-2.39,;5.37,-3.73,;7.68,-2.39,;8.45,-1.06,;9.99,-1.06,;10.76,-2.39,;11.53,-1.06,;10.76,.28,;12.3,.28,;13.64,-.49,;13.64,1.05,;8.45,-3.73,;9.22,-5.06,;-1.63,.44,;-1.63,1.98,;-2.97,2.75,;-2.97,4.29,;-2.97,-.33,)|
C[C@H]1CCC(CN1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:1.0,(10.66,-.93,;9.12,-.93,;8.35,-2.27,;6.81,-2.27,;6.04,-.93,;6.81,.4,;8.35,.4,;4.5,-.93,;3.73,-2.27,;4.5,-3.6,;2.19,-2.27,;1.35,-3.85,;.01,-3.08,;-1.32,-3.85,;-2.66,-3.08,;-2.66,-1.54,;-1.32,-.77,;-1.32,.77,;-2.66,1.54,;-3.99,.77,;-5.32,1.54,;-5.32,3.08,;-6.66,3.85,;-7.99,3.08,;-9.32,3.85,;-10.66,3.08,;-10.66,1.54,;-9.32,.77,;-7.99,1.54,;-3.99,3.85,;-2.66,3.08,;-1.32,3.85,;.01,1.54,;.01,3.08,;1.35,.77,;1.35,-.77,;.01,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CNC[C@H]4F)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.2,3.85,;-1.53,3.08,;-2.86,3.85,;-4.2,3.08,;-5.53,3.85,;-6.87,3.08,;-8.2,3.85,;-9.53,3.08,;-9.53,1.54,;-8.2,.77,;-6.87,1.54,;-4.2,1.54,;-2.86,.77,;-1.53,1.54,;-.2,.77,;-.2,-.77,;-1.53,-1.54,;-1.53,-3.08,;-.2,-3.85,;1.14,-3.08,;2.47,-3.85,;3.31,-2.27,;4.85,-2.27,;5.62,-3.6,;5.62,-.93,;7.16,-.93,;8.07,.31,;9.53,-.16,;9.53,-1.7,;8.07,-2.18,;7.67,-3.67,;2.47,-.77,;2.47,.77,;1.14,1.54,;1.14,3.08,;1.14,-1.54,)|
COC(C)CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.13,(12.2,2.28,;11.43,.94,;9.89,.94,;9.12,2.28,;9.12,-.39,;7.58,-.39,;6.81,.94,;6.81,-1.73,;7.58,-3.06,;6.81,-4.39,;5.27,-4.39,;4.5,-3.06,;5.27,-1.73,;2.96,-3.06,;2.19,-1.73,;2.96,-.39,;.65,-1.73,;-.19,-3.31,;-1.53,-2.54,;-2.86,-3.31,;-4.2,-2.54,;-4.2,-1,;-2.86,-.23,;-2.86,1.31,;-4.2,2.08,;-5.53,1.31,;-6.86,2.08,;-6.86,3.62,;-8.2,4.39,;-9.53,3.62,;-10.86,4.39,;-12.2,3.62,;-12.2,2.08,;-10.86,1.31,;-9.53,2.08,;-5.53,4.39,;-4.2,3.62,;-2.86,4.39,;-1.53,2.08,;-1.53,3.62,;-.19,1.31,;-.19,-.23,;-1.53,-1,)|
COC[C@H](C)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.13,wD:3.3,(12.2,2.28,;11.43,.94,;9.89,.94,;9.12,-.39,;9.89,-1.73,;7.58,-.39,;6.81,.94,;6.81,-1.73,;7.58,-3.06,;6.81,-4.39,;5.27,-4.39,;4.5,-3.06,;5.27,-1.73,;2.96,-3.06,;2.19,-1.73,;2.96,-.39,;.65,-1.73,;-.19,-3.31,;-1.53,-2.54,;-2.86,-3.31,;-4.2,-2.54,;-4.2,-1,;-2.86,-.23,;-2.86,1.31,;-4.2,2.08,;-5.53,1.31,;-6.86,2.08,;-6.86,3.62,;-8.2,4.39,;-9.53,3.62,;-10.86,4.39,;-12.2,3.62,;-12.2,2.08,;-10.86,1.31,;-9.53,2.08,;-5.53,4.39,;-4.2,3.62,;-2.86,4.39,;-1.53,2.08,;-1.53,3.62,;-.19,1.31,;-.19,-.23,;-1.53,-1,)|
CCOc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C)C4)c([nH]c1=O)c23 |r,wU:28.29,(-10.55,4.78,;-9.22,5.55,;-7.89,4.78,;-7.89,3.24,;-9.22,2.47,;-9.22,.93,;-7.89,.16,;-6.55,.93,;-6.55,2.47,;-5.22,3.24,;-3.89,2.47,;-3.89,.93,;-2.55,.16,;-1.22,.93,;-1.22,2.47,;.11,3.24,;-2.55,3.24,;.11,.16,;.11,-1.38,;-1.22,-2.15,;-1.22,-3.69,;.11,-4.46,;1.45,-3.69,;2.78,-4.46,;3.62,-2.88,;5.16,-2.88,;5.93,-1.55,;5.93,-4.21,;7.47,-4.21,;8.24,-5.55,;9.78,-5.55,;10.55,-4.21,;9.78,-2.88,;10.55,-1.55,;8.24,-2.88,;2.78,-1.38,;2.78,.16,;1.45,.93,;1.45,2.47,;1.45,-2.15,)|
COCC(C)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.13,(12.2,4.13,;11.43,2.79,;9.89,2.79,;9.12,1.46,;9.89,.12,;7.58,1.46,;6.81,2.79,;6.81,.12,;7.58,-1.21,;6.81,-2.54,;5.27,-2.54,;4.5,-1.21,;5.27,.12,;2.96,-1.21,;2.19,-2.54,;2.96,-3.88,;.65,-2.54,;-.19,-4.13,;-1.53,-3.36,;-2.86,-4.13,;-4.2,-3.36,;-4.2,-1.82,;-2.86,-1.05,;-2.86,.49,;-4.2,1.26,;-5.53,.49,;-6.86,1.26,;-6.86,2.8,;-8.2,3.57,;-9.53,2.8,;-10.86,3.57,;-12.2,2.8,;-12.2,1.26,;-10.86,.49,;-9.53,1.26,;-5.53,3.57,;-4.2,2.8,;-2.86,3.57,;-1.53,1.26,;-1.53,2.8,;-.19,.49,;-.19,-1.05,;-1.53,-1.82,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCNC4)c([nH]c1=O)c23 |r,wU:25.26,(-.2,4.35,;-1.53,3.58,;-2.86,4.35,;-4.2,3.58,;-5.53,4.35,;-6.87,3.58,;-8.2,4.35,;-9.53,3.58,;-9.53,2.04,;-8.2,1.27,;-6.87,2.04,;-4.2,2.04,;-2.86,1.27,;-1.53,2.04,;-.2,1.27,;-.2,-.27,;-1.53,-1.04,;-1.53,-2.58,;-.2,-3.35,;1.14,-2.58,;2.47,-3.35,;3.31,-1.77,;4.85,-1.77,;5.62,-.44,;5.62,-3.1,;7.16,-3.1,;8.07,-4.35,;9.53,-3.87,;9.53,-2.33,;8.07,-1.86,;2.47,-.27,;2.47,1.27,;1.14,2.04,;1.14,3.58,;1.14,-1.04,)|
CN1C[C@H](F)C[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:3.3,wD:6.8,(9.89,-3.6,;9.12,-2.27,;9.89,-.93,;9.12,.4,;9.89,1.73,;7.58,.4,;6.81,-.93,;7.58,-2.27,;5.27,-.93,;4.5,-2.27,;5.27,-3.6,;2.96,-2.27,;2.12,-3.85,;.78,-3.08,;-.55,-3.85,;-1.89,-3.08,;-1.89,-1.54,;-.55,-.77,;-.55,.77,;-1.89,1.54,;-3.22,.77,;-4.55,1.54,;-4.55,3.08,;-5.89,3.85,;-7.22,3.08,;-8.55,3.85,;-9.89,3.08,;-9.89,1.54,;-8.55,.77,;-7.22,1.54,;-3.22,3.85,;-1.89,3.08,;-.55,3.85,;.78,1.54,;.78,3.08,;2.12,.77,;2.12,-.77,;.78,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C#C)c([nH]c1=O)c23 |r,wU:25.26,(-2.09,3.85,;-3.43,3.08,;-4.76,3.85,;-6.09,3.08,;-7.43,3.85,;-8.76,3.08,;-10.09,3.85,;-11.43,3.08,;-11.43,1.54,;-10.09,.77,;-8.76,1.54,;-6.09,1.54,;-4.76,.77,;-3.43,1.54,;-2.09,.77,;-2.09,-.77,;-3.43,-1.54,;-3.43,-3.08,;-2.09,-3.85,;-.76,-3.08,;.58,-3.85,;1.42,-2.27,;2.96,-2.27,;3.73,-3.6,;3.73,-.93,;5.27,-.93,;6.04,-2.27,;7.58,-2.27,;8.35,-.93,;7.58,.4,;6.04,.4,;8.35,1.73,;7.58,3.07,;9.89,1.73,;11.43,1.73,;.58,-.77,;.58,.77,;-.76,1.54,;-.76,3.08,;-.76,-1.54,)|
CN1CC(CCC1=O)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(9.12,-.39,;8.35,-1.73,;6.81,-1.73,;6.04,-3.06,;6.81,-4.39,;8.35,-4.39,;9.12,-3.06,;10.66,-3.06,;4.5,-3.06,;3.73,-1.73,;4.5,-.39,;2.19,-1.73,;1.35,-3.31,;.01,-2.54,;-1.32,-3.31,;-2.66,-2.54,;-2.66,-1,;-1.32,-.23,;-1.32,1.31,;-2.66,2.08,;-3.99,1.31,;-5.32,2.08,;-5.32,3.62,;-6.66,4.39,;-7.99,3.62,;-9.32,4.39,;-10.66,3.62,;-10.66,2.08,;-9.32,1.31,;-7.99,2.08,;-3.99,4.39,;-2.66,3.62,;-1.32,4.39,;.01,2.08,;.01,3.62,;1.35,1.31,;1.35,-.23,;.01,-1,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CCN)c([nH]c1=O)c23 |r,wU:25.26,(-2.48,3.85,;-3.81,3.08,;-5.14,3.85,;-6.48,3.08,;-7.81,3.85,;-9.15,3.08,;-10.48,3.85,;-11.81,3.08,;-11.81,1.54,;-10.48,.77,;-9.15,1.54,;-6.48,1.54,;-5.14,.77,;-3.81,1.54,;-2.48,.77,;-2.48,-.77,;-3.81,-1.54,;-3.81,-3.08,;-2.48,-3.85,;-1.14,-3.08,;.19,-3.85,;1.03,-2.27,;2.57,-2.27,;3.34,-3.6,;3.34,-.93,;4.88,-.93,;5.65,-2.27,;7.19,-2.27,;7.96,-.93,;7.19,.4,;5.65,.4,;7.96,1.73,;7.19,3.07,;9.5,1.73,;10.27,3.07,;11.81,3.07,;.19,-.77,;.19,.77,;-1.14,1.54,;-1.14,3.08,;-1.14,-1.54,)|
CN1C[C@@H](F)C[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:6.8,3.3,(9.89,-5.06,;9.12,-3.73,;9.89,-2.39,;9.12,-1.06,;9.89,.28,;7.58,-1.06,;6.81,-2.39,;7.58,-3.73,;5.27,-2.39,;4.5,-1.06,;5.27,.28,;2.96,-1.06,;2.12,-2.64,;.78,-1.87,;-.55,-2.64,;-1.89,-1.87,;-1.89,-.33,;-.55,.44,;-.55,1.98,;-1.89,2.75,;-3.22,1.98,;-4.55,2.75,;-4.55,4.29,;-5.89,5.06,;-7.22,4.29,;-8.55,5.06,;-9.89,4.29,;-9.89,2.75,;-8.55,1.98,;-7.22,2.75,;-3.22,5.06,;-1.89,4.29,;-.55,5.06,;.78,2.75,;.78,4.29,;2.12,1.98,;2.12,.44,;.78,-.33,)|
CC1CN(C)CCC1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(6.04,-.39,;6.81,-1.73,;8.35,-1.73,;9.12,-3.06,;10.66,-3.06,;8.35,-4.39,;6.81,-4.39,;6.04,-3.06,;4.5,-3.06,;3.73,-1.73,;4.5,-.39,;2.19,-1.73,;1.35,-3.31,;.01,-2.54,;-1.32,-3.31,;-2.66,-2.54,;-2.66,-1,;-1.32,-.23,;-1.32,1.31,;-2.66,2.08,;-3.99,1.31,;-5.32,2.08,;-5.32,3.62,;-6.66,4.39,;-7.99,3.62,;-9.32,4.39,;-10.66,3.62,;-10.66,2.08,;-9.32,1.31,;-7.99,2.08,;-3.99,4.39,;-2.66,3.62,;-1.32,4.39,;.01,2.08,;.01,3.62,;1.35,1.31,;1.35,-.23,;.01,-1,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCNC(=O)C4)c([nH]c1=O)c23 |(-.55,3.85,;-1.89,3.08,;-3.22,3.85,;-4.55,3.08,;-5.89,3.85,;-7.22,3.08,;-8.55,3.85,;-9.89,3.08,;-9.89,1.54,;-8.55,.77,;-7.22,1.54,;-4.55,1.54,;-3.22,.77,;-1.89,1.54,;-.55,.77,;-.55,-.77,;-1.89,-1.54,;-1.89,-3.08,;-.55,-3.85,;.78,-3.08,;2.12,-3.85,;2.96,-2.27,;4.5,-2.27,;5.27,-3.6,;5.27,-.93,;6.81,-.93,;7.58,.4,;9.12,.4,;9.89,-.93,;9.12,-2.27,;9.89,-3.6,;7.58,-2.27,;2.12,-.77,;2.12,.77,;.78,1.54,;.78,3.08,;.78,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CNC[C@@H](F)C4)c([nH]c1=O)c23 |r,wD:25.26,29.31,(-.55,4.39,;-1.89,3.62,;-3.22,4.39,;-4.55,3.62,;-5.89,4.39,;-7.22,3.62,;-8.55,4.39,;-9.89,3.62,;-9.89,2.08,;-8.55,1.31,;-7.22,2.08,;-4.55,2.08,;-3.22,1.31,;-1.89,2.08,;-.55,1.31,;-.55,-.23,;-1.89,-1,;-1.89,-2.54,;-.55,-3.31,;.78,-2.54,;2.12,-3.31,;2.96,-1.73,;4.5,-1.73,;5.27,-.39,;5.27,-3.06,;6.81,-3.06,;7.58,-4.39,;9.12,-4.39,;9.89,-3.06,;9.12,-1.73,;9.89,-.39,;7.58,-1.73,;2.12,-.23,;2.12,1.31,;.78,2.08,;.78,3.62,;.78,-1,)|
CN1C[C@H](O)C[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:3.3,wD:6.8,(9.89,-5.06,;9.12,-3.73,;9.89,-2.39,;9.12,-1.06,;9.89,.28,;7.58,-1.06,;6.81,-2.39,;7.58,-3.73,;5.27,-2.39,;4.5,-1.06,;5.27,.28,;2.96,-1.06,;2.12,-2.64,;.78,-1.87,;-.55,-2.64,;-1.89,-1.87,;-1.89,-.33,;-.55,.44,;-.55,1.98,;-1.89,2.75,;-3.22,1.98,;-4.55,2.75,;-4.55,4.29,;-5.89,5.06,;-7.22,4.29,;-8.55,5.06,;-9.89,4.29,;-9.89,2.75,;-8.55,1.98,;-7.22,2.75,;-3.22,5.06,;-1.89,4.29,;-.55,5.06,;.78,2.75,;.78,4.29,;2.12,1.98,;2.12,.44,;.78,-.33,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.53,5.27,;-2.86,4.5,;-4.2,5.27,;-5.53,4.5,;-6.87,5.27,;-8.2,4.5,;-9.53,5.27,;-10.87,4.5,;-10.87,2.96,;-9.53,2.19,;-8.2,2.96,;-5.53,2.96,;-4.2,2.19,;-2.86,2.96,;-1.53,2.19,;-1.53,.65,;-2.86,-.12,;-2.86,-1.66,;-1.53,-2.43,;-.2,-1.66,;1.14,-2.43,;1.98,-.85,;3.52,-.85,;4.29,.48,;4.29,-2.19,;5.83,-2.19,;6.73,-.94,;8.2,-1.42,;8.2,-2.96,;6.73,-3.43,;9.53,-3.73,;9.53,-5.27,;10.87,-2.96,;10.87,-1.42,;1.14,.65,;1.14,2.19,;-.2,2.96,;-.2,4.5,;-.2,-.12,)|
CCc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C)C4)c([nH]c1=O)c23 |r,wU:27.28,(-9.89,5.55,;-8.55,4.78,;-8.55,3.24,;-9.89,2.47,;-9.89,.93,;-8.55,.16,;-7.22,.93,;-7.22,2.47,;-5.89,3.24,;-4.55,2.47,;-4.55,.93,;-3.22,.16,;-1.89,.93,;-1.89,2.47,;-.55,3.24,;-3.22,3.24,;-.55,.16,;-.55,-1.38,;-1.89,-2.15,;-1.89,-3.69,;-.55,-4.46,;.78,-3.69,;2.12,-4.46,;2.96,-2.88,;4.5,-2.88,;5.27,-1.55,;5.27,-4.21,;6.81,-4.21,;7.58,-5.55,;9.12,-5.55,;9.89,-4.21,;9.12,-2.88,;9.89,-1.55,;7.58,-2.88,;2.12,-1.38,;2.12,.16,;.78,.93,;.78,2.47,;.78,-2.15,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CC5CCN4CC5)c([nH]c1=O)c23 |THB:24:25:28.29:32.31,(-1.13,3.85,;-2.47,3.08,;-3.8,3.85,;-5.13,3.08,;-6.47,3.85,;-7.8,3.08,;-7.8,1.54,;-9.14,.77,;-10.47,1.54,;-10.47,3.08,;-9.14,3.85,;-5.13,1.54,;-3.8,.77,;-2.47,1.54,;-1.13,.77,;-1.13,-.77,;-2.47,-1.54,;-2.47,-3.08,;-1.13,-3.85,;.2,-3.08,;1.53,-3.85,;2.38,-2.27,;3.92,-2.27,;4.69,-3.6,;4.69,-.93,;6.23,-.93,;7.63,-.56,;9.34,-1.1,;10.47,.19,;9.06,-.1,;7.74,-1.6,;8.34,-2.93,;9.81,-2.48,;1.53,-.77,;1.53,.77,;.2,1.54,;.2,3.08,;.2,-1.54,)|
CC1CNCCC1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(6.81,-.39,;7.58,-1.73,;9.12,-1.73,;9.89,-3.06,;9.12,-4.39,;7.58,-4.39,;6.81,-3.06,;5.27,-3.06,;4.5,-1.73,;5.27,-.39,;2.96,-1.73,;2.12,-3.31,;.78,-2.54,;-.55,-3.31,;-1.89,-2.54,;-1.89,-1,;-.55,-.23,;-.55,1.31,;-1.89,2.08,;-3.22,1.31,;-4.55,2.08,;-4.55,3.62,;-5.89,4.39,;-7.22,3.62,;-8.55,4.39,;-9.89,3.62,;-9.89,2.08,;-8.55,1.31,;-7.22,2.08,;-3.22,4.39,;-1.89,3.62,;-.55,4.39,;.78,2.08,;.78,3.62,;2.12,1.31,;2.12,-.23,;.78,-1,)|
C[C@H]1CCC(CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:1.0,(10.66,-.93,;9.12,-.93,;8.35,-2.27,;6.81,-2.27,;6.04,-.93,;6.81,.4,;8.35,.4,;4.5,-.93,;3.73,-2.27,;4.5,-3.6,;2.19,-2.27,;1.35,-3.85,;.01,-3.08,;-1.32,-3.85,;-2.66,-3.08,;-2.66,-1.54,;-1.32,-.77,;-1.32,.77,;-2.66,1.54,;-3.99,.77,;-5.32,1.54,;-5.32,3.08,;-6.66,3.85,;-7.99,3.08,;-9.32,3.85,;-10.66,3.08,;-10.66,1.54,;-9.32,.77,;-7.99,1.54,;-3.99,3.85,;-2.66,3.08,;-1.32,3.85,;.01,1.54,;.01,3.08,;1.35,.77,;1.35,-.77,;.01,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CNCC(F)(F)C4)c([nH]c1=O)c23 |r,wU:25.26,(-.71,5.14,;-2.05,4.37,;-3.38,5.14,;-4.71,4.37,;-6.05,5.14,;-7.38,4.37,;-8.71,5.14,;-10.05,4.37,;-10.05,2.83,;-8.71,2.06,;-7.38,2.83,;-4.71,2.83,;-3.38,2.06,;-2.05,2.83,;-.71,2.06,;-.71,.52,;-2.05,-.25,;-2.05,-1.79,;-.71,-2.56,;.62,-1.79,;1.96,-2.56,;2.8,-.98,;4.34,-.98,;5.11,.35,;5.11,-2.32,;6.65,-2.32,;7.42,-.98,;8.96,-.98,;9.73,-2.32,;8.96,-3.65,;10.05,-4.74,;8.56,-5.14,;7.42,-3.65,;1.96,.52,;1.96,2.06,;.62,2.83,;.62,4.37,;.62,-.25,)|
Fc1cc(Oc2ccccc2)cc(F)c1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:26.27,(-5.81,-1.05,;-5.81,.49,;-7.15,1.26,;-7.15,2.8,;-8.48,3.57,;-9.81,2.8,;-9.81,1.26,;-11.15,.49,;-12.48,1.26,;-12.48,2.8,;-11.15,3.57,;-5.81,3.57,;-4.48,2.8,;-3.14,3.57,;-4.48,1.26,;-3.14,.49,;-3.14,-1.05,;-4.48,-1.82,;-4.48,-3.36,;-3.14,-4.13,;-1.81,-3.36,;-.48,-4.13,;.37,-2.54,;1.91,-2.54,;2.68,-3.88,;2.68,-1.21,;4.22,-1.21,;4.99,-2.54,;6.53,-2.54,;7.3,-1.21,;6.53,.12,;4.99,.12,;7.3,1.46,;6.53,2.79,;8.84,1.46,;9.61,.12,;11.15,.12,;12.48,-.65,;12.48,.89,;9.61,2.79,;10.38,4.13,;-.48,-1.05,;-.48,.49,;-1.81,1.26,;-1.81,2.8,;-1.81,-1.82,)|
COc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C/C4CC4)\C#N)c([nH]c1=O)c23 |r,wD:20.20,(-10.14,4.29,;-8.81,5.06,;-7.47,4.29,;-7.47,2.75,;-6.14,1.98,;-4.8,2.75,;-4.8,4.29,;-3.47,5.06,;-6.14,5.06,;-3.47,1.98,;-3.47,.44,;-4.8,-.33,;-4.8,-1.87,;-3.47,-2.64,;-2.14,-1.87,;-.8,-2.64,;.04,-1.06,;1.58,-1.06,;2.35,-2.39,;2.35,.28,;3.83,.28,;4.6,1.61,;6.14,1.61,;6.91,.28,;6.14,-1.06,;4.6,-1.06,;6.91,-2.39,;6.14,-3.73,;8.6,-2.39,;9.37,-1.06,;8.6,.28,;8.6,1.82,;7.27,1.05,;9.37,-3.73,;10.14,-5.06,;-.8,.44,;-.8,1.98,;-2.14,2.75,;-2.14,4.29,;-2.14,-.33,)|
COc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wD:20.20,(-11.17,4.29,;-9.84,5.06,;-8.51,4.29,;-8.51,2.75,;-7.17,1.98,;-5.84,2.75,;-5.84,4.29,;-4.5,5.06,;-7.17,5.06,;-4.5,1.98,;-4.5,.44,;-5.84,-.33,;-5.84,-1.87,;-4.5,-2.64,;-3.17,-1.87,;-1.84,-2.64,;-.99,-1.06,;.55,-1.06,;1.32,-2.39,;1.32,.28,;2.91,.28,;3.68,1.61,;5.22,1.61,;5.99,.28,;5.22,-1.06,;3.68,-1.06,;5.99,-2.39,;5.22,-3.73,;7.53,-2.39,;8.3,-1.06,;9.84,-1.06,;11.17,-1.83,;11.17,-.29,;8.3,-3.73,;9.07,-5.06,;-1.84,.44,;-1.84,1.98,;-3.17,2.75,;-3.17,4.29,;-3.17,-.33,)|
Cc1cc(OC2CCCCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C\C(=C\C5CC5)C#N)C4)c([nH]c1=O)c23 |r,wU:25.26,(-3.14,4.39,;-4.48,3.62,;-5.81,4.39,;-7.15,3.62,;-8.48,4.39,;-9.81,3.62,;-11.15,4.39,;-12.48,3.62,;-12.48,2.08,;-11.15,1.31,;-9.81,2.08,;-7.15,2.08,;-5.81,1.31,;-4.48,2.08,;-3.14,1.31,;-3.14,-.23,;-4.48,-1,;-4.48,-2.54,;-3.14,-3.31,;-1.81,-2.54,;-.48,-3.31,;.37,-1.73,;1.91,-1.73,;2.68,-.39,;2.68,-3.06,;4.22,-3.06,;4.99,-4.39,;6.53,-4.39,;7.3,-3.06,;6.53,-1.73,;7.3,-.39,;8.84,-.39,;9.61,-1.73,;11.15,-1.73,;12.48,-2.5,;12.48,-.96,;9.61,.94,;10.38,2.28,;4.99,-1.73,;-.48,-.23,;-.48,1.31,;-1.81,2.08,;-1.81,3.62,;-1.81,-1,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CNC[C@H](O)C4)c([nH]c1=O)c23 |r,wU:29.31,wD:25.26,(-.55,3.85,;-1.89,3.08,;-3.22,3.85,;-4.55,3.08,;-5.89,3.85,;-7.22,3.08,;-8.55,3.85,;-9.89,3.08,;-9.89,1.54,;-8.55,.77,;-7.22,1.54,;-4.55,1.54,;-3.22,.77,;-1.89,1.54,;-.55,.77,;-.55,-.77,;-1.89,-1.54,;-1.89,-3.08,;-.55,-3.85,;.78,-3.08,;2.12,-3.85,;2.96,-2.27,;4.5,-2.27,;5.27,-3.6,;5.27,-.93,;6.81,-.93,;7.58,-2.27,;9.12,-2.27,;9.89,-.93,;9.12,.4,;9.89,1.73,;7.58,.4,;2.12,-.77,;2.12,.77,;.78,1.54,;.78,3.08,;.78,-1.54,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.89,1.73,;9.12,.4,;9.89,-.93,;9.12,-2.27,;7.58,-2.27,;6.81,-.93,;7.58,.4,;5.27,-.93,;4.5,-2.27,;5.27,-3.6,;2.96,-2.27,;2.12,-3.85,;.78,-3.08,;-.55,-3.85,;-1.89,-3.08,;-1.89,-1.54,;-.55,-.77,;-.55,.77,;-1.89,1.54,;-3.22,.77,;-4.55,1.54,;-4.55,3.08,;-5.89,3.85,;-7.22,3.08,;-8.55,3.85,;-9.89,3.08,;-9.89,1.54,;-8.55,.77,;-7.22,1.54,;-3.22,3.85,;-1.89,3.08,;-.55,3.85,;.78,1.54,;.78,3.08,;2.12,.77,;2.12,-.77,;.78,-1.54,)|
O=C(CC#N)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CNCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:9.11,(11.73,-4.31,;10.19,-4.31,;9.42,-2.97,;7.88,-2.97,;7.11,-4.31,;7.11,-1.64,;7.88,-.3,;7.11,1.03,;5.57,1.03,;4.8,-.3,;5.57,-1.64,;3.26,-.3,;2.49,-1.64,;3.26,-2.97,;.95,-1.64,;.27,-3.39,;-1.06,-2.62,;-2.39,-3.39,;-3.73,-2.62,;-3.73,-1.08,;-2.39,-.31,;-2.39,1.23,;-3.73,2,;-5.06,1.23,;-6.39,2,;-6.39,3.54,;-7.73,4.31,;-9.06,3.54,;-10.4,4.31,;-11.73,3.54,;-11.73,2,;-10.4,1.23,;-9.06,2,;-5.06,4.31,;-3.73,3.54,;-2.39,4.31,;-1.06,2,;-1.06,3.54,;.27,1.23,;.27,-.31,;-1.06,-1.08,)|
CCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:8.10,(9.03,-6.31,;8.26,-4.97,;9.03,-3.64,;10.57,-3.64,;8.26,-2.3,;9.03,-.97,;8.26,.36,;6.72,.36,;5.95,-.97,;6.72,-2.3,;4.41,-.97,;3.64,.36,;4.41,1.7,;2.1,.36,;1.43,-1.39,;.1,-.62,;-1.24,-1.39,;-2.57,-.62,;-2.57,.92,;-1.24,1.69,;-1.24,3.23,;-2.57,4,;-3.91,3.23,;-5.24,4,;-5.24,5.54,;-6.57,6.31,;-7.91,5.54,;-7.91,4,;-9.24,3.23,;-10.57,4,;-10.57,5.54,;-9.24,6.31,;-3.91,6.31,;-2.57,5.54,;-1.24,6.31,;.1,4,;.1,5.54,;1.43,3.23,;1.43,1.69,;.1,.92,)|
Cc1cc(OC2CC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:22.23,(-3.62,3.49,;-4.96,2.72,;-6.29,3.49,;-7.63,2.72,;-8.96,3.49,;-10.29,2.72,;-11.83,2.72,;-11.06,1.38,;-7.63,1.18,;-6.29,.41,;-4.96,1.18,;-3.62,.41,;-3.62,-1.13,;-4.96,-1.9,;-4.96,-3.44,;-3.62,-4.21,;-2.29,-3.44,;-.96,-4.21,;-.28,-2.46,;1.26,-2.46,;2.03,-3.79,;2.03,-1.12,;3.57,-1.12,;4.34,-2.46,;5.88,-2.46,;6.65,-1.12,;5.88,.21,;4.34,.21,;6.65,1.55,;5.88,2.88,;8.19,1.55,;8.96,.21,;10.5,.21,;11.83,-.56,;11.83,.98,;8.96,2.88,;9.72,4.21,;-.96,-1.13,;-.96,.41,;-2.29,1.18,;-2.29,2.72,;-2.29,-1.9,)|
CN1C[C@H](F)[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,wD:3.3,(10.12,.78,;8.78,.01,;8.78,-1.53,;7.32,-2.01,;6.84,-3.47,;6.41,-.76,;7.32,.49,;4.87,-.76,;4.1,-2.09,;4.87,-3.43,;2.56,-2.09,;1.89,-3.85,;.55,-3.08,;-.78,-3.85,;-2.11,-3.08,;-2.11,-1.54,;-.78,-.77,;-.78,.77,;-2.11,1.54,;-3.45,.77,;-4.78,1.54,;-4.78,3.08,;-6.11,3.85,;-7.45,3.08,;-8.78,3.85,;-10.12,3.08,;-10.12,1.54,;-8.78,.77,;-7.45,1.54,;-3.45,3.85,;-2.11,3.08,;-.78,3.85,;.55,1.54,;.55,3.08,;1.89,.77,;1.89,-.77,;.55,-1.54,)|
CN1CCCC(CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(10.58,-1.07,;9.25,-1.84,;9.37,-3.37,;8.24,-4.42,;6.71,-4.19,;5.94,-2.86,;6.51,-1.42,;7.98,-.97,;4.4,-2.86,;3.63,-1.52,;4.4,-.19,;2.09,-1.52,;1.42,-3.28,;.09,-2.51,;-1.25,-3.28,;-2.58,-2.51,;-2.58,-.97,;-1.25,-.2,;-1.25,1.34,;-2.58,2.11,;-3.92,1.34,;-5.25,2.11,;-5.25,3.65,;-6.58,4.42,;-7.92,3.65,;-7.92,2.11,;-9.25,1.34,;-10.58,2.11,;-10.58,3.65,;-9.25,4.42,;-3.92,4.42,;-2.58,3.65,;-1.25,4.42,;.09,2.11,;.09,3.65,;1.42,1.34,;1.42,-.2,;.09,-.97,)|
COCC(C)(C)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:12.14,(12.11,4.21,;11.34,2.88,;9.8,2.88,;9.03,1.55,;9.8,.21,;10.57,1.55,;7.49,1.55,;6.72,2.88,;6.72,.21,;7.49,-1.12,;6.72,-2.46,;5.18,-2.46,;4.41,-1.12,;5.18,.21,;2.87,-1.12,;2.1,-2.46,;2.87,-3.79,;.56,-2.46,;-.11,-4.21,;-1.44,-3.44,;-2.78,-4.21,;-4.11,-3.44,;-4.11,-1.9,;-2.78,-1.13,;-2.78,.41,;-4.11,1.18,;-5.45,.41,;-6.78,1.18,;-6.78,2.72,;-8.11,3.49,;-9.45,2.72,;-10.78,3.49,;-12.11,2.72,;-12.11,1.18,;-10.78,.41,;-9.45,1.18,;-5.45,3.49,;-4.11,2.72,;-2.78,3.49,;-1.44,1.18,;-1.44,2.72,;-.11,.41,;-.11,-1.13,;-1.44,-1.9,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCN(CC4)C#N)c([nH]c1=O)c23 |(-1.91,4.42,;-3.24,3.65,;-4.58,4.42,;-5.91,3.65,;-7.25,4.42,;-8.58,3.65,;-8.58,2.11,;-9.91,1.34,;-11.25,2.11,;-11.25,3.65,;-9.91,4.42,;-5.91,2.11,;-4.58,1.34,;-3.24,2.11,;-1.91,1.34,;-1.91,-.2,;-3.24,-.97,;-3.24,-2.51,;-1.91,-3.28,;-.58,-2.51,;.76,-3.28,;1.43,-1.52,;2.97,-1.52,;3.74,-.19,;3.74,-2.86,;5.28,-2.86,;6.05,-4.19,;7.58,-4.42,;8.7,-3.37,;8.59,-1.84,;7.32,-.97,;5.84,-1.42,;9.92,-1.07,;11.25,-.3,;.76,-.2,;.76,1.34,;-.58,2.11,;-.58,3.65,;-.58,-.97,)|
COC[C@@H](OC)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:12.14,3.3,(12.11,-2.97,;11.34,-4.31,;9.8,-4.31,;9.03,-2.97,;9.8,-1.64,;11.34,-1.64,;7.49,-2.97,;6.72,-4.31,;6.72,-1.64,;7.49,-.3,;6.72,1.03,;5.18,1.03,;4.41,-.3,;5.18,-1.64,;2.87,-.3,;2.1,-1.64,;2.87,-2.97,;.56,-1.64,;-.11,-3.39,;-1.44,-2.62,;-2.78,-3.39,;-4.11,-2.62,;-4.11,-1.08,;-2.78,-.31,;-2.78,1.23,;-4.11,2,;-5.45,1.23,;-6.78,2,;-6.78,3.54,;-8.11,4.31,;-9.45,3.54,;-10.78,4.31,;-12.11,3.54,;-12.11,2,;-10.78,1.23,;-9.45,2,;-5.45,4.31,;-4.11,3.54,;-2.78,4.31,;-1.44,2,;-1.44,3.54,;-.11,1.23,;-.11,-.31,;-1.44,-1.08,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)[C@@H]4CCNC4)c([nH]c1=O)c23 |r,wU:25.26,33.35,(-2.42,4.31,;-3.76,3.54,;-5.09,4.31,;-6.42,3.54,;-7.76,4.31,;-9.09,3.54,;-9.09,2,;-10.43,1.23,;-11.76,2,;-11.76,3.54,;-10.43,4.31,;-6.42,2,;-5.09,1.23,;-3.76,2,;-2.42,1.23,;-2.42,-.31,;-3.76,-1.08,;-3.76,-2.62,;-2.42,-3.39,;-1.09,-2.62,;.24,-3.39,;.92,-1.64,;2.46,-1.64,;3.23,-.3,;3.23,-2.97,;4.77,-2.97,;5.54,-4.31,;7.08,-4.31,;7.85,-2.97,;7.08,-1.64,;5.54,-1.64,;7.85,-.3,;7.08,1.03,;9.39,-.3,;10.29,-1.55,;11.76,-1.07,;11.76,.47,;10.29,.94,;.24,-.31,;.24,1.23,;-1.09,2,;-1.09,3.54,;-1.09,-1.08,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4(CO)CCOCC4)c([nH]c1=O)c23 |(-.47,3.85,;-1.8,3.08,;-3.14,3.85,;-4.47,3.08,;-5.8,3.85,;-7.14,3.08,;-8.47,3.85,;-9.8,3.08,;-9.8,1.54,;-8.47,.77,;-7.14,1.54,;-4.47,1.54,;-3.14,.77,;-1.8,1.54,;-.47,.77,;-.47,-.77,;-1.8,-1.54,;-1.8,-3.08,;-.47,-3.85,;.87,-3.08,;2.2,-3.85,;2.87,-2.09,;4.41,-2.09,;5.18,-3.43,;5.18,-.76,;6.72,-.76,;5.95,.57,;6.72,1.91,;7.49,-2.09,;9.03,-2.09,;9.8,-.76,;9.03,.57,;7.49,.57,;2.2,-.77,;2.2,.77,;.87,1.54,;.87,3.08,;.87,-1.54,)|
CCOc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:21.21,(-11.06,5.01,;-9.73,4.23,;-9.73,2.7,;-8.39,1.92,;-8.39,.39,;-7.06,-.39,;-5.73,.39,;-5.73,1.92,;-4.39,2.7,;-7.06,2.7,;-4.39,-.39,;-4.39,-1.92,;-5.73,-2.7,;-5.73,-4.23,;-4.39,-5.01,;-3.06,-4.23,;-1.73,-5.01,;-1.05,-3.25,;.49,-3.25,;1.26,-4.58,;1.26,-1.91,;2.8,-1.91,;3.57,-3.25,;5.11,-3.25,;5.88,-1.91,;5.11,-.58,;3.57,-.58,;5.88,.75,;5.11,2.09,;7.42,.75,;8.19,-.58,;9.73,-.58,;11.06,-1.35,;11.06,.19,;8.19,2.09,;8.96,3.42,;-1.73,-1.92,;-1.73,-.39,;-3.06,.39,;-3.06,1.92,;-3.06,-2.7,)|
Fc1ccccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:18.18,(-4.29,4.31,;-5.62,3.54,;-6.96,4.31,;-8.29,3.54,;-8.29,2,;-6.96,1.23,;-5.62,2,;-4.29,1.23,;-4.29,-.31,;-5.62,-1.08,;-5.62,-2.62,;-4.29,-3.39,;-2.96,-2.62,;-1.62,-3.39,;-.95,-1.64,;.59,-1.64,;1.36,-.3,;1.36,-2.97,;2.9,-2.97,;3.67,-4.31,;5.21,-4.31,;5.98,-2.97,;5.21,-1.64,;3.67,-1.64,;5.98,-.3,;5.21,1.03,;7.52,-.3,;8.29,1.03,;-1.62,-.31,;-1.62,1.23,;-2.96,2,;-2.96,3.54,;-2.96,-1.08,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C/C(C)(C)N)\C#N)c([nH]c1=O)c23 |r,wU:25.26,(-2.01,2.82,;-3.34,2.05,;-4.68,2.82,;-6.01,2.05,;-7.34,2.82,;-8.68,2.05,;-8.68,.51,;-10.01,-.26,;-11.34,.51,;-11.34,2.05,;-10.01,2.82,;-6.01,.51,;-4.68,-.26,;-3.34,.51,;-2.01,-.26,;-2.01,-1.8,;-3.34,-2.57,;-3.34,-4.11,;-2.01,-4.88,;-.67,-4.11,;.66,-4.88,;1.33,-3.12,;2.87,-3.12,;3.64,-4.46,;3.64,-1.79,;5.18,-1.79,;5.95,-3.12,;7.49,-3.12,;8.26,-1.79,;7.49,-.46,;5.95,-.46,;8.26,.88,;7.49,2.21,;9.8,.88,;10.57,2.21,;9.8,3.55,;8.72,4.63,;8.47,2.78,;10.57,4.88,;10.57,-.46,;11.34,-1.79,;.66,-1.8,;.66,-.26,;-.67,.51,;-.67,2.05,;-.67,-2.57,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4(N)CC4)\C#N)c([nH]c1=O)c23 |r,wU:25.26,(-3.19,3.59,;-4.53,2.82,;-5.86,3.59,;-7.19,2.82,;-8.53,3.59,;-9.86,2.82,;-11.2,3.59,;-12.53,2.82,;-12.53,1.28,;-11.2,.51,;-9.86,1.28,;-7.19,1.28,;-5.86,.51,;-4.53,1.28,;-3.19,.51,;-3.19,-1.03,;-4.53,-1.8,;-4.53,-3.34,;-3.19,-4.11,;-1.86,-3.34,;-.53,-4.11,;.41,-2.55,;1.95,-2.55,;2.73,-3.89,;2.73,-1.22,;4.27,-1.22,;5.04,-2.55,;6.58,-2.55,;7.35,-1.22,;6.58,.11,;5.04,.11,;7.35,1.45,;6.58,2.78,;8.89,1.45,;9.66,.11,;11.2,.11,;11.97,-1.22,;12.53,.88,;11.2,1.65,;9.66,2.78,;10.43,4.11,;-.53,-1.03,;-.53,.51,;-1.86,1.28,;-1.86,2.82,;-1.86,-1.8,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CNC[C@@H](O)C4)c([nH]c1=O)c23 |r,wD:25.26,29.31,(-.6,3.85,;-1.93,3.08,;-3.27,3.85,;-4.6,3.08,;-5.94,3.85,;-7.27,3.08,;-8.6,3.85,;-9.94,3.08,;-9.94,1.54,;-8.6,.77,;-7.27,1.54,;-4.6,1.54,;-3.27,.77,;-1.93,1.54,;-.6,.77,;-.6,-.77,;-1.93,-1.54,;-1.93,-3.08,;-.6,-3.85,;.73,-3.08,;2.07,-3.85,;3.01,-2.29,;4.55,-2.29,;5.32,-3.62,;5.32,-.96,;6.86,-.96,;7.63,-2.29,;9.17,-2.29,;9.94,-.96,;9.17,.38,;9.94,1.71,;7.63,.38,;2.07,-.77,;2.07,.77,;.73,1.54,;.73,3.08,;.73,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)[C@@H]4CCOC4)c([nH]c1=O)c23 |r,wU:25.26,33.35,(-2.61,4.4,;-3.94,3.63,;-5.27,4.4,;-6.61,3.63,;-7.94,4.4,;-9.28,3.63,;-10.61,4.4,;-11.94,3.63,;-11.94,2.09,;-10.61,1.32,;-9.28,2.09,;-6.61,2.09,;-5.27,1.32,;-3.94,2.09,;-2.61,1.32,;-2.61,-.22,;-3.94,-.99,;-3.94,-2.53,;-2.61,-3.3,;-1.27,-2.53,;.06,-3.3,;1,-1.74,;2.54,-1.74,;3.31,-.4,;3.31,-3.07,;4.95,-3.07,;5.72,-4.4,;7.26,-4.4,;8.03,-3.07,;7.26,-1.74,;5.72,-1.74,;8.03,-.4,;7.26,.93,;9.57,-.4,;10.48,-1.65,;11.94,-1.17,;11.94,.37,;10.48,.84,;.06,-.22,;.06,1.32,;-1.27,2.09,;-1.27,3.63,;-1.27,-.99,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\C4CC4)c([nH]c1=O)c23 |r,wU:25.26,(-3.24,4.4,;-4.58,3.63,;-5.91,4.4,;-7.24,3.63,;-8.58,4.4,;-9.91,3.63,;-11.25,4.4,;-12.58,3.63,;-12.58,2.09,;-11.25,1.32,;-9.91,2.09,;-7.24,2.09,;-5.91,1.32,;-4.58,2.09,;-3.24,1.32,;-3.24,-.22,;-4.58,-.99,;-4.58,-2.53,;-3.24,-3.3,;-1.91,-2.53,;-.58,-3.3,;.36,-1.74,;1.9,-1.74,;2.67,-.4,;2.67,-3.07,;4.32,-3.07,;5.09,-4.4,;6.63,-4.4,;7.4,-3.07,;6.63,-1.74,;5.09,-1.74,;7.4,-.4,;6.63,.93,;8.94,-.4,;9.71,-1.74,;11.25,-1.74,;12.58,-2.51,;12.58,-.97,;-.58,-.22,;-.58,1.32,;-1.91,2.09,;-1.91,3.63,;-1.91,-.99,)|
CN1C[C@@H](O)[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,3.3,(10.2,.72,;8.96,-.19,;8.96,-1.73,;7.49,-2.2,;7.02,-3.67,;6.59,-.96,;7.49,.29,;5.05,-.96,;4.28,-2.29,;5.05,-3.62,;2.74,-2.29,;1.8,-3.85,;.46,-3.08,;-.87,-3.85,;-2.2,-3.08,;-2.2,-1.54,;-.87,-.77,;-.87,.77,;-2.2,1.54,;-3.54,.77,;-4.87,1.54,;-4.87,3.08,;-6.2,3.85,;-7.54,3.08,;-8.87,3.85,;-10.2,3.08,;-10.2,1.54,;-8.87,.77,;-7.54,1.54,;-3.54,3.85,;-2.2,3.08,;-.87,3.85,;.46,1.54,;.46,3.08,;1.8,.77,;1.8,-.77,;.46,-1.54,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5C5CC5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.99,-1.84,;9.22,-3.17,;9.99,-4.51,;9.22,-5.84,;7.68,-5.84,;6.91,-4.51,;7.68,-3.17,;5.27,-4.51,;4.5,-3.17,;5.27,-1.84,;2.96,-3.17,;2.01,-4.73,;.68,-3.96,;-.65,-4.73,;-1.99,-3.96,;-1.99,-2.42,;-.65,-1.65,;-.65,-.11,;-1.99,.66,;-3.32,-.11,;-4.65,.66,;-4.65,2.2,;-5.99,2.97,;-7.32,2.2,;-7.32,.66,;-8.65,-.11,;-9.99,.66,;-9.99,2.2,;-8.65,2.97,;-8.65,4.51,;-7.88,5.84,;-9.42,5.84,;-3.32,2.97,;-1.99,2.2,;-.65,2.97,;.68,.66,;.68,2.2,;2.01,-.11,;2.01,-1.65,;.68,-2.42,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CNC(=O)C4)c([nH]c1=O)c23 |(-.87,3.85,;-2.2,3.08,;-3.54,3.85,;-4.87,3.08,;-6.2,3.85,;-7.54,3.08,;-8.87,3.85,;-10.2,3.08,;-10.2,1.54,;-8.87,.77,;-7.54,1.54,;-4.87,1.54,;-3.54,.77,;-2.2,1.54,;-.87,.77,;-.87,-.77,;-2.2,-1.54,;-2.2,-3.08,;-.87,-3.85,;.46,-3.08,;1.8,-3.85,;2.74,-2.29,;4.28,-2.29,;5.05,-3.62,;5.05,-.96,;6.59,-.96,;7.49,.29,;8.96,-.19,;8.96,-1.73,;10.2,-2.63,;7.49,-2.2,;1.8,-.77,;1.8,.77,;.46,1.54,;.46,3.08,;.46,-1.54,)|
CC1CC(CCN1C)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(9.22,-.4,;8.45,-1.74,;6.91,-1.74,;6.14,-3.07,;6.91,-4.4,;8.45,-4.4,;9.22,-3.07,;10.76,-3.07,;4.5,-3.07,;3.73,-1.74,;4.5,-.4,;2.19,-1.74,;1.25,-3.3,;-.09,-2.53,;-1.42,-3.3,;-2.76,-2.53,;-2.76,-.99,;-1.42,-.22,;-1.42,1.32,;-2.76,2.09,;-4.09,1.32,;-5.42,2.09,;-5.42,3.63,;-6.76,4.4,;-8.09,3.63,;-9.42,4.4,;-10.76,3.63,;-10.76,2.09,;-9.42,1.32,;-8.09,2.09,;-4.09,4.4,;-2.76,3.63,;-1.42,4.4,;-.09,2.09,;-.09,3.63,;1.25,1.32,;1.25,-.22,;-.09,-.99,)|
CC(=C)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:9.11,(11.09,.38,;10.32,1.71,;11.09,3.05,;8.78,1.71,;8.01,3.05,;8.01,.38,;8.78,-.96,;8.01,-2.29,;6.47,-2.29,;5.7,-.96,;6.47,.38,;4.16,-.96,;3.39,-2.29,;4.16,-3.62,;1.85,-2.29,;.91,-3.85,;-.42,-3.08,;-1.76,-3.85,;-3.09,-3.08,;-3.09,-1.54,;-1.76,-.77,;-1.76,.77,;-3.09,1.54,;-4.42,.77,;-5.76,1.54,;-5.76,3.08,;-7.09,3.85,;-8.42,3.08,;-9.76,3.85,;-11.09,3.08,;-11.09,1.54,;-9.76,.77,;-8.42,1.54,;-4.42,3.85,;-3.09,3.08,;-1.76,3.85,;-.42,1.54,;-.42,3.08,;.91,.77,;.91,-.77,;-.42,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C(=O)C4CC4)c([nH]c1=O)c23 |(-2.04,4.4,;-3.37,3.63,;-4.71,4.4,;-6.04,3.63,;-7.37,4.4,;-8.71,3.63,;-10.04,4.4,;-11.37,3.63,;-11.37,2.09,;-10.04,1.32,;-8.71,2.09,;-6.04,2.09,;-4.71,1.32,;-3.37,2.09,;-2.04,1.32,;-2.04,-.22,;-3.37,-.99,;-3.37,-2.53,;-2.04,-3.3,;-.7,-2.53,;.63,-3.3,;1.57,-1.74,;3.11,-1.74,;3.88,-3.07,;3.88,-.4,;5.42,-.4,;6.19,.93,;7.73,.93,;8.5,-.4,;7.73,-1.74,;6.19,-1.74,;8.5,-3.07,;7.73,-4.4,;10.04,-3.07,;11.37,-3.84,;11.37,-2.3,;.63,-.22,;.63,1.32,;-.7,2.09,;-.7,3.63,;-.7,-.99,)|
CN1CCCCC(C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(8.88,2.31,;8.88,.77,;10.08,-.19,;10.08,-1.73,;8.88,-2.69,;7.38,-2.34,;6.71,-.96,;7.38,.43,;5.17,-.96,;4.4,-2.29,;5.17,-3.62,;2.86,-2.29,;1.92,-3.85,;.59,-3.08,;-.75,-3.85,;-2.08,-3.08,;-2.08,-1.54,;-.75,-.77,;-.75,.77,;-2.08,1.54,;-3.42,.77,;-4.75,1.54,;-4.75,3.08,;-6.08,3.85,;-7.42,3.08,;-8.75,3.85,;-10.08,3.08,;-10.08,1.54,;-8.75,.77,;-7.42,1.54,;-3.42,3.85,;-2.08,3.08,;-.75,3.85,;.59,1.54,;.59,3.08,;1.92,.77,;1.92,-.77,;.59,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)[C@H]4CCOC4)c([nH]c1=O)c23 |r,wU:25.26,wD:33.35,(-2.61,3.85,;-3.94,3.08,;-5.27,3.85,;-6.61,3.08,;-7.94,3.85,;-9.28,3.08,;-10.61,3.85,;-11.94,3.08,;-11.94,1.54,;-10.61,.77,;-9.28,1.54,;-6.61,1.54,;-5.27,.77,;-3.94,1.54,;-2.61,.77,;-2.61,-.77,;-3.94,-1.54,;-3.94,-3.08,;-2.61,-3.85,;-1.27,-3.08,;.06,-3.85,;1,-2.29,;2.54,-2.29,;3.31,-3.62,;3.31,-.96,;4.95,-.96,;5.72,-2.29,;7.26,-2.29,;8.03,-.96,;7.26,.38,;5.72,.38,;8.03,1.71,;7.26,3.05,;9.57,1.71,;10.48,.47,;11.94,.94,;11.94,2.48,;10.48,2.96,;.06,-.77,;.06,.77,;-1.27,1.54,;-1.27,3.08,;-1.27,-1.54,)|
CO[C@@H]1CN(C)C[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:7.8,2.1,(5.05,2.61,;6.82,2.24,;7.39,.51,;9.11,-.05,;9.11,-1.86,;10.58,-2.93,;7.39,-2.42,;6.32,-.96,;4.68,-.96,;3.91,-2.29,;4.68,-3.62,;2.37,-2.29,;1.43,-3.85,;.09,-3.08,;-1.24,-3.85,;-2.58,-3.08,;-2.58,-1.54,;-1.24,-.77,;-1.24,.77,;-2.58,1.54,;-3.91,.77,;-5.24,1.54,;-5.24,3.08,;-6.58,3.85,;-7.91,3.08,;-9.24,3.85,;-10.58,3.08,;-10.58,1.54,;-9.24,.77,;-7.91,1.54,;-3.91,3.85,;-2.58,3.08,;-1.24,3.85,;.09,1.54,;.09,3.08,;1.43,.77,;1.43,-.77,;.09,-1.54,)|
Clc1ccc2OCOc2c1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:21.22,(-7.63,-1.6,;-7.63,-.06,;-8.97,.71,;-8.97,2.25,;-7.63,3.02,;-7.31,4.52,;-5.78,4.68,;-5.15,3.28,;-6.3,2.25,;-6.3,.71,;-4.97,-.06,;-4.97,-1.6,;-6.3,-2.37,;-6.3,-3.91,;-4.97,-4.68,;-3.63,-3.91,;-2.3,-4.68,;-1.36,-3.12,;.18,-3.12,;.95,-4.46,;.95,-1.79,;2.6,-1.79,;3.5,-3.03,;4.97,-2.56,;4.97,-1.02,;3.5,-.54,;6.3,-.25,;6.3,1.29,;7.63,-1.02,;8.97,-.25,;-2.3,-1.6,;-2.3,-.06,;-3.63,.71,;-3.63,2.25,;-3.63,-2.37,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccc(C)c5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(10.66,-.4,;9.89,-1.74,;10.66,-3.07,;9.89,-4.4,;8.34,-4.4,;7.58,-3.07,;8.34,-1.74,;5.93,-3.07,;5.16,-1.74,;5.93,-.4,;3.62,-1.74,;2.68,-3.3,;1.35,-2.53,;.01,-3.3,;-1.32,-2.53,;-1.32,-.99,;.01,-.22,;.01,1.32,;-1.32,2.09,;-2.65,1.32,;-3.99,2.09,;-3.99,3.63,;-5.32,4.4,;-6.65,3.63,;-6.65,2.09,;-7.99,1.32,;-9.32,2.09,;-9.32,3.63,;-10.66,4.4,;-7.99,4.4,;-2.65,4.4,;-1.32,3.63,;.01,4.4,;1.35,2.09,;1.35,3.63,;2.68,1.32,;2.68,-.22,;1.35,-.99,)|
CO[C@@H]1CNC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:6.7,2.1,(8.72,-4.34,;7.69,-3.2,;8.16,-1.73,;9.63,-1.26,;9.63,.28,;8.16,.76,;7.26,-.49,;5.72,-.49,;4.95,-1.82,;5.72,-3.15,;3.41,-1.82,;2.5,-3.07,;1.04,-2.59,;-.29,-3.36,;-1.63,-2.59,;-1.63,-1.05,;-.29,-.28,;-.29,1.26,;-1.63,2.03,;-2.96,1.26,;-4.29,2.03,;-4.29,3.57,;-5.63,4.34,;-6.96,3.57,;-8.3,4.34,;-9.63,3.57,;-9.63,2.03,;-8.3,1.26,;-6.96,2.03,;-2.96,4.34,;-1.63,3.57,;-.29,4.34,;1.04,2.03,;1.04,3.57,;2.37,1.26,;2.37,-.28,;1.04,-1.05,)|
CCNC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:16.18,(13.45,1.59,;12.68,.25,;11.14,.25,;10.37,-1.08,;11.14,-2.41,;11.91,-1.08,;8.83,-1.08,;8.06,-2.41,;8.83,-3.75,;9.6,-5.08,;6.52,-2.41,;5.75,-3.75,;5.75,-1.08,;6.52,.25,;5.75,1.59,;4.21,1.59,;3.44,.25,;4.21,-1.08,;1.9,.25,;1.13,-1.08,;1.9,-2.41,;-.41,-1.08,;-1.32,-2.33,;-2.78,-1.85,;-4.11,-2.62,;-5.45,-1.85,;-5.45,-.31,;-4.11,.46,;-4.11,2,;-5.45,2.77,;-6.78,2,;-8.12,2.77,;-8.12,4.31,;-9.45,5.08,;-10.78,4.31,;-12.12,5.08,;-13.45,4.31,;-13.45,2.77,;-12.12,2,;-10.78,2.77,;-6.78,5.08,;-5.45,4.31,;-4.11,5.08,;-2.78,2.77,;-2.78,4.31,;-1.45,2,;-1.45,.46,;-2.78,-.31,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C4CC4)c([nH]c1=O)c23 |r,wU:25.26,(-1.32,3.85,;-2.65,3.08,;-3.98,3.85,;-5.32,3.08,;-6.65,3.85,;-7.98,3.08,;-9.32,3.85,;-10.65,3.08,;-10.65,1.54,;-9.32,.77,;-7.98,1.54,;-5.32,1.54,;-3.98,.77,;-2.65,1.54,;-1.32,.77,;-1.32,-.77,;-2.65,-1.54,;-2.65,-3.08,;-1.32,-3.85,;.02,-3.08,;1.48,-3.56,;2.39,-2.31,;3.93,-2.31,;4.7,-3.64,;4.7,-.98,;6.24,-.98,;7.01,-2.31,;8.55,-2.31,;9.32,-.98,;8.55,.36,;7.01,.36,;9.32,1.69,;10.65,2.46,;9.32,3.23,;1.35,-.77,;1.35,.77,;.02,1.54,;.02,3.08,;.02,-1.54,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccc(F)c5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(10.65,-.41,;9.88,-1.75,;10.65,-3.08,;9.88,-4.41,;8.34,-4.41,;7.57,-3.08,;8.34,-1.75,;6.03,-3.08,;5.26,-1.75,;6.03,-.41,;3.72,-1.75,;2.82,-2.99,;1.35,-2.52,;.02,-3.29,;-1.32,-2.52,;-1.32,-.98,;.02,-.21,;.02,1.33,;-1.32,2.1,;-2.65,1.33,;-3.98,2.1,;-3.98,3.64,;-5.32,4.41,;-6.65,3.64,;-6.65,2.1,;-7.98,1.33,;-9.32,2.1,;-9.32,3.64,;-10.65,4.41,;-7.98,4.41,;-2.65,4.41,;-1.32,3.64,;.02,4.41,;1.35,2.1,;1.35,3.64,;2.69,1.33,;2.69,-.21,;1.35,-.98,)|
COCCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4F)c(=O)[nH]c1c23 |r,wU:10.12,(12.29,-.98,;11.52,.36,;9.98,.36,;9.21,1.69,;7.67,1.69,;6.9,3.02,;6.9,.36,;7.67,-.98,;6.9,-2.31,;5.36,-2.31,;4.59,-.98,;5.36,.36,;3.05,-.98,;2.28,-2.31,;3.05,-3.64,;.74,-2.31,;-.16,-3.56,;-1.63,-3.08,;-2.96,-3.85,;-4.29,-3.08,;-4.29,-1.54,;-2.96,-.77,;-2.96,.77,;-4.29,1.54,;-5.63,.77,;-6.96,1.54,;-6.96,3.08,;-8.29,3.85,;-9.63,3.08,;-10.96,3.85,;-12.29,3.08,;-12.29,1.54,;-10.96,.77,;-9.63,1.54,;-5.63,3.85,;-4.29,3.08,;-2.96,3.85,;-1.63,1.54,;-1.63,3.08,;-.29,.77,;-.29,-.77,;-1.63,-1.54,)|
Cc1ccccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:18.18,(-4.47,3.85,;-5.8,3.08,;-7.14,3.85,;-8.47,3.08,;-8.47,1.54,;-7.14,.77,;-5.8,1.54,;-4.47,.77,;-4.47,-.77,;-5.8,-1.54,;-5.8,-3.08,;-4.47,-3.85,;-3.14,-3.08,;-1.67,-3.56,;-.77,-2.31,;.77,-2.31,;1.54,-3.64,;1.54,-.98,;3.08,-.98,;3.85,-2.31,;5.39,-2.31,;6.16,-.98,;5.39,.36,;3.85,.36,;6.16,1.69,;5.39,3.02,;7.7,1.69,;8.47,.36,;-1.8,-.77,;-1.8,.77,;-3.14,1.54,;-3.14,3.08,;-3.14,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NCCN4CCNC4=O)c([nH]c1=O)c23 |(-1.45,3.85,;-2.78,3.08,;-4.12,3.85,;-5.45,3.08,;-6.78,3.85,;-8.12,3.08,;-9.45,3.85,;-10.78,3.08,;-10.78,1.54,;-9.45,.77,;-8.12,1.54,;-5.45,1.54,;-4.12,.77,;-2.78,1.54,;-1.45,.77,;-1.45,-.77,;-2.78,-1.54,;-2.78,-3.08,;-1.45,-3.85,;-.12,-3.08,;1.35,-3.56,;2.25,-2.31,;3.79,-2.31,;4.56,-3.64,;4.56,-.98,;6.1,-.98,;6.87,.36,;8.41,.36,;9.32,1.6,;10.78,1.13,;10.78,-.41,;9.32,-.89,;8.84,-2.35,;1.22,-.77,;1.22,.77,;-.12,1.54,;-.12,3.08,;-.12,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CNC[C@@H]4F)c([nH]c1=O)c23 |r,wU:25.26,wD:29.32,(-.29,3.85,;-1.63,3.08,;-2.96,3.85,;-4.29,3.08,;-5.63,3.85,;-6.96,3.08,;-8.3,3.85,;-9.63,3.08,;-9.63,1.54,;-8.3,.77,;-6.96,1.54,;-4.29,1.54,;-2.96,.77,;-1.63,1.54,;-.29,.77,;-.29,-.77,;-1.63,-1.54,;-1.63,-3.08,;-.29,-3.85,;1.04,-3.08,;2.5,-3.56,;3.41,-2.31,;4.95,-2.31,;5.72,-3.64,;5.72,-.98,;7.26,-.98,;8.16,.27,;9.63,-.21,;9.63,-1.75,;8.16,-2.22,;7.69,-3.69,;2.37,-.77,;2.37,.77,;1.04,1.54,;1.04,3.08,;1.04,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C4CCOCC4)c([nH]c1=O)c23 |r,wU:25.26,(-2.96,4.41,;-4.29,3.64,;-5.63,4.41,;-6.96,3.64,;-8.29,4.41,;-9.63,3.64,;-10.96,4.41,;-12.3,3.64,;-12.3,2.1,;-10.96,1.33,;-9.63,2.1,;-6.96,2.1,;-5.63,1.33,;-4.29,2.1,;-2.96,1.33,;-2.96,-.21,;-4.29,-.98,;-4.29,-2.52,;-2.96,-3.29,;-1.63,-2.52,;-.16,-2.99,;.74,-1.75,;2.28,-1.75,;3.05,-.41,;3.05,-3.08,;4.59,-3.08,;5.36,-4.41,;6.9,-4.41,;7.67,-3.08,;6.9,-1.75,;5.36,-1.75,;7.67,-.41,;6.9,.92,;9.21,-.41,;9.98,-1.75,;11.53,-1.75,;12.3,-.41,;11.53,.92,;9.98,.92,;-.29,-.21,;-.29,1.33,;-1.63,2.1,;-1.63,3.64,;-1.63,-.98,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5O)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.98,-1.18,;9.21,-2.52,;9.98,-3.85,;9.21,-5.18,;7.67,-5.18,;6.9,-3.85,;7.67,-2.52,;5.36,-3.85,;4.59,-2.52,;5.36,-1.18,;3.05,-2.52,;2.15,-3.76,;.68,-3.29,;-.65,-4.06,;-1.98,-3.29,;-1.98,-1.75,;-.65,-.98,;-.65,.56,;-1.98,1.33,;-3.32,.56,;-4.65,1.33,;-4.65,2.87,;-5.98,3.64,;-7.32,2.87,;-7.32,1.33,;-8.65,.56,;-9.98,1.33,;-9.98,2.87,;-8.65,3.64,;-8.65,5.18,;-3.32,3.64,;-1.98,2.87,;-.65,3.64,;.68,1.33,;.68,2.87,;2.02,.56,;2.02,-.98,;.68,-1.75,)|
CCO\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.13,(12.5,3.2,;10.96,3.2,;10.19,1.87,;8.65,1.87,;7.88,.54,;6.34,.54,;5.57,1.87,;5.57,-.8,;6.34,-2.13,;5.57,-3.47,;4.03,-3.47,;3.26,-2.13,;4.03,-.8,;1.72,-2.13,;.95,-3.47,;1.72,-4.8,;-.59,-3.47,;-1.5,-4.71,;-2.96,-4.23,;-4.3,-5,;-5.63,-4.23,;-5.63,-2.69,;-4.3,-1.93,;-3.68,-.04,;-4.77,1.05,;-6.25,.65,;-7.34,1.74,;-6.94,3.23,;-8.03,4.31,;-9.52,3.92,;-10.61,5,;-12.1,4.61,;-12.5,3.12,;-11.41,2.03,;-9.92,2.43,;-5.46,3.62,;-4.37,2.54,;-2.88,2.93,;-2.19,.36,;-1.79,1.84,;-1.1,-.73,;-1.5,-2.22,;-2.96,-2.69,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4c(C)cc(Oc5ccccc5)cc4F)c(=O)[nH]c1c23 |r,wD:5.7,(9.98,-5.08,;9.21,-3.75,;9.98,-2.41,;9.21,-1.08,;7.67,-1.08,;6.9,-2.41,;7.67,-3.75,;5.36,-2.41,;4.59,-1.08,;5.36,.25,;3.05,-1.08,;2.15,-2.33,;.68,-1.85,;-.65,-2.62,;-1.98,-1.85,;-1.98,-.31,;-.65,.46,;-.65,2,;-1.98,2.77,;-1.98,4.31,;-.65,5.08,;-3.32,5.08,;-4.65,4.31,;-5.98,5.08,;-7.32,4.31,;-8.65,5.08,;-9.98,4.31,;-9.98,2.77,;-8.65,2,;-7.32,2.77,;-4.65,2.77,;-3.32,2,;-3.32,.46,;.68,2.77,;.68,4.31,;2.02,2,;2.02,.46,;.68,-.31,)|
CC(C)c1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C)C4)c([nH]c1=O)c23 |r,wU:28.29,(-7.32,5.57,;-8.65,4.8,;-9.98,5.57,;-8.65,3.26,;-9.98,2.49,;-9.98,.95,;-8.65,.18,;-7.32,.95,;-7.32,2.49,;-5.98,3.26,;-4.65,2.49,;-4.65,.95,;-3.32,.18,;-1.98,.95,;-1.98,2.49,;-.65,3.26,;-3.32,3.26,;-.65,.18,;-.65,-1.36,;-1.98,-2.13,;-1.98,-3.67,;-.65,-4.44,;.68,-3.67,;2.15,-4.15,;3.05,-2.9,;4.59,-2.9,;5.36,-1.57,;5.36,-4.23,;6.9,-4.23,;7.67,-5.57,;9.21,-5.57,;9.98,-4.23,;9.21,-2.9,;9.98,-1.57,;7.67,-2.9,;2.02,-1.36,;2.02,.18,;.68,.95,;.68,2.49,;.68,-2.13,)|
CO[C@H]1CNC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:2.1,wD:6.8,(9.21,3.02,;9.98,1.69,;9.21,.36,;9.98,-.98,;9.21,-2.31,;7.67,-2.31,;6.9,-.98,;7.67,.36,;5.36,-.98,;4.59,-2.31,;5.36,-3.64,;3.05,-2.31,;2.15,-3.56,;.68,-3.08,;-.65,-3.85,;-1.98,-3.08,;-1.98,-1.54,;-.65,-.77,;-.65,.77,;-1.98,1.54,;-3.32,.77,;-4.65,1.54,;-4.65,3.08,;-5.98,3.85,;-7.32,3.08,;-8.65,3.85,;-9.98,3.08,;-9.98,1.54,;-8.65,.77,;-7.32,1.54,;-3.32,3.85,;-1.98,3.08,;-.65,3.85,;.68,1.54,;.68,3.08,;2.02,.77,;2.02,-.77,;.68,-1.54,)|
CC(C)=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.12,(9.6,2.25,;10.37,.92,;11.91,.92,;9.6,-.41,;8.06,-.41,;7.29,.92,;7.29,-1.75,;8.06,-3.08,;7.29,-4.41,;5.75,-4.41,;4.98,-3.08,;5.75,-1.75,;3.44,-3.08,;2.67,-1.75,;3.44,-.41,;1.13,-1.75,;.22,-2.99,;-1.24,-2.52,;-2.57,-3.29,;-3.91,-2.52,;-3.91,-.98,;-2.57,-.21,;-2.57,1.33,;-3.91,2.1,;-5.24,1.33,;-6.57,2.1,;-6.57,3.64,;-7.91,4.41,;-9.24,3.64,;-10.58,4.41,;-11.91,3.64,;-11.91,2.1,;-10.58,1.33,;-9.24,2.1,;-5.24,4.41,;-3.91,3.64,;-2.57,4.41,;-1.24,2.1,;-1.24,3.64,;.09,1.33,;.09,-.21,;-1.24,-.98,)|
COCc1cccc(Oc2ccc(c(C)c2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCCN(C)C5)c([nH]c2=O)c34)c1 |r,wU:27.27,(-11.98,4.41,;-10.65,3.64,;-9.32,4.41,;-7.98,3.64,;-7.98,2.1,;-6.65,1.33,;-5.32,2.1,;-5.32,3.64,;-3.98,4.41,;-2.65,3.64,;-2.65,2.1,;-1.32,1.33,;.02,2.1,;.02,3.64,;1.35,4.41,;-1.32,4.41,;1.35,1.33,;1.35,-.21,;.02,-.98,;.02,-2.52,;1.35,-3.29,;2.69,-2.52,;4.15,-2.99,;5.05,-1.75,;6.59,-1.75,;7.36,-.41,;7.36,-3.08,;8.9,-3.08,;9.67,-4.41,;11.21,-4.41,;11.98,-3.08,;11.21,-1.75,;11.98,-.41,;9.67,-1.75,;4.02,-.21,;4.02,1.33,;2.69,2.1,;2.69,3.64,;2.69,-.98,;-6.65,4.41,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5OC(F)(F)F)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(10.65,-2.34,;9.88,-3.67,;10.65,-5,;9.88,-6.34,;8.34,-6.34,;7.57,-5,;8.34,-3.67,;6.03,-5,;5.26,-3.67,;6.03,-2.34,;3.72,-3.67,;2.82,-4.92,;1.35,-4.44,;.02,-5.21,;-1.32,-4.44,;-1.32,-2.9,;.02,-2.13,;.02,-.59,;-1.32,.18,;-2.65,-.59,;-3.98,.18,;-3.98,1.72,;-5.32,2.49,;-6.65,1.72,;-6.65,.18,;-7.98,-.59,;-9.32,.18,;-9.32,1.72,;-7.98,2.49,;-7.98,4.03,;-9.32,4.8,;-10.65,4.03,;-10.65,5.57,;-9.32,6.34,;-2.65,2.49,;-1.32,1.72,;.02,2.49,;1.35,.18,;1.35,1.72,;2.69,-.59,;2.69,-2.13,;1.35,-2.9,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(\F)=C\C4CC4)c([nH]c1=O)c23 |r,wU:25.26,(-3.24,4.41,;-4.57,3.64,;-5.91,4.41,;-7.24,3.64,;-8.58,4.41,;-9.91,3.64,;-9.91,2.1,;-11.24,1.33,;-12.58,2.1,;-12.58,3.64,;-11.24,4.41,;-7.24,2.1,;-5.91,1.33,;-4.57,2.1,;-3.24,1.33,;-3.24,-.21,;-4.57,-.98,;-4.57,-2.52,;-3.24,-3.29,;-1.91,-2.52,;-.44,-2.99,;.46,-1.75,;2,-1.75,;2.77,-.41,;2.77,-3.08,;4.31,-3.08,;5.08,-4.41,;6.62,-4.41,;7.39,-3.08,;6.62,-1.75,;5.08,-1.75,;7.39,-.41,;6.62,.92,;8.93,-.41,;9.7,-1.75,;9.7,.92,;11.24,.92,;12.58,.15,;12.58,1.69,;-.57,-.21,;-.57,1.33,;-1.91,2.1,;-1.91,3.64,;-1.91,-.98,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |(-3.14,5.34,;-4.23,4.25,;-5.56,5.02,;-6.89,4.25,;-8.23,5.02,;-9.56,4.25,;-9.56,2.71,;-10.89,1.94,;-12.23,2.71,;-12.23,4.25,;-10.89,5.02,;-6.89,2.71,;-5.56,1.94,;-4.23,2.71,;-2.89,1.94,;-2.89,.4,;-4.23,-.37,;-4.23,-1.91,;-2.89,-2.68,;-1.56,-1.91,;-.09,-2.38,;.81,-1.14,;2.35,-1.14,;3.12,-2.47,;3.12,.2,;4.66,.2,;5.75,-.89,;6.84,.2,;5.75,1.29,;8.38,.2,;9.15,1.53,;9.15,-1.14,;8.38,-2.47,;9.15,-3.8,;9.15,-5.34,;10.48,-4.57,;10.69,-1.14,;12.23,-1.14,;-.22,.4,;-.22,1.94,;-1.56,2.71,;-1.56,4.25,;-1.56,-.37,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CN(C4)C4CC4)c([nH]c1=O)c23 |(-1.88,4.45,;-2.97,3.36,;-4.3,4.13,;-5.64,3.36,;-6.97,4.13,;-8.3,3.36,;-8.3,1.82,;-9.64,1.05,;-10.97,1.82,;-10.97,3.36,;-9.64,4.13,;-5.64,1.82,;-4.3,1.05,;-2.97,1.82,;-1.63,1.05,;-1.63,-.49,;-2.97,-1.26,;-2.97,-2.8,;-1.63,-3.57,;-.3,-2.8,;1.16,-3.27,;2.07,-2.03,;3.61,-2.03,;4.38,-.69,;4.38,-3.36,;5.92,-3.36,;7.01,-2.27,;8.1,-3.36,;7.01,-4.45,;9.64,-3.36,;10.97,-4.13,;10.97,-2.59,;1.03,-.49,;1.03,1.05,;-.3,1.82,;-.3,3.36,;-.3,-1.26,)|
CO\C=C(/C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:12.14,(12.29,2.25,;11.52,.92,;9.98,.92,;9.21,-.41,;9.98,-1.75,;10.75,-3.08,;7.68,-.41,;6.91,.92,;6.91,-1.75,;7.68,-3.08,;6.91,-4.41,;5.37,-4.41,;4.6,-3.08,;5.37,-1.75,;3.05,-3.08,;2.28,-1.75,;3.05,-.41,;.75,-1.75,;-.16,-2.99,;-1.62,-2.52,;-2.96,-3.29,;-4.29,-2.52,;-4.29,-.98,;-2.96,-.21,;-2.96,1.33,;-4.29,2.1,;-5.63,1.33,;-6.96,2.1,;-6.96,3.64,;-8.29,4.41,;-9.63,3.64,;-10.96,4.41,;-12.29,3.64,;-12.29,2.1,;-10.96,1.33,;-9.63,2.1,;-5.63,4.41,;-4.29,3.64,;-2.96,4.41,;-1.62,2.1,;-1.62,3.64,;-.29,1.33,;-.29,-.21,;-1.62,-.98,)|
Cc1cc(OC2CCOCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:25.26,(-3.49,4.57,;-4.57,3.48,;-5.91,4.25,;-7.24,3.48,;-8.58,4.25,;-9.91,3.48,;-11.24,4.25,;-12.58,3.48,;-12.58,1.94,;-11.24,1.17,;-9.91,1.94,;-7.24,1.94,;-5.91,1.17,;-4.57,1.94,;-3.24,1.17,;-3.24,-.37,;-4.57,-1.14,;-4.57,-2.68,;-3.24,-3.45,;-1.91,-2.68,;-.44,-3.15,;.46,-1.91,;2,-1.91,;2.77,-.57,;2.77,-3.24,;4.31,-3.24,;5.08,-4.57,;6.62,-4.57,;7.39,-3.24,;6.62,-1.91,;5.08,-1.91,;7.39,-.57,;6.62,.76,;8.93,-.57,;9.7,-1.91,;11.24,-1.91,;12.58,-2.68,;12.58,-1.14,;9.7,.76,;10.47,2.1,;-.57,-.37,;-.57,1.17,;-1.91,1.94,;-1.91,3.48,;-1.91,-1.14,)|
COCCNC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:18.20,(14.6,1.43,;13.83,.09,;12.29,.09,;11.52,-1.24,;9.98,-1.24,;9.21,-2.57,;9.61,-4.06,;10.7,-2.97,;7.67,-2.57,;6.9,-3.91,;7.67,-5.24,;8.44,-6.57,;5.36,-3.91,;4.59,-5.24,;4.59,-2.57,;5.36,-1.24,;4.59,.09,;3.05,.09,;2.28,-1.24,;3.05,-2.57,;.74,-1.24,;-.03,.09,;.74,1.43,;-1.57,.09,;-2.47,-1.15,;-3.94,-.68,;-5.27,-1.45,;-6.6,-.68,;-6.6,.86,;-5.27,1.63,;-5.27,3.17,;-6.6,3.94,;-7.94,3.17,;-9.27,3.94,;-9.27,5.48,;-10.6,6.25,;-11.94,5.48,;-13.27,6.25,;-14.6,5.48,;-14.6,3.94,;-13.27,3.17,;-11.94,3.94,;-7.94,6.25,;-6.6,5.48,;-5.51,6.57,;-3.94,3.94,;-3.94,5.48,;-2.6,3.17,;-2.6,1.63,;-3.94,.86,)|
Fc1cc(Oc2ccccc2)cc(F)c1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wU:26.27,(-.89,4.01,;-1.98,2.92,;-3.32,3.69,;-4.65,2.92,;-5.98,3.69,;-7.32,2.92,;-8.65,3.69,;-9.98,2.92,;-9.98,1.38,;-8.65,.61,;-7.32,1.38,;-4.65,1.38,;-3.32,.61,;-3.32,-.93,;-1.98,1.38,;-.65,.61,;-.65,-.93,;-1.98,-1.7,;-1.98,-3.24,;-.65,-4.01,;.68,-3.24,;2.15,-3.72,;3.05,-2.47,;4.59,-2.47,;5.36,-3.8,;5.36,-1.14,;6.9,-1.14,;7.67,-2.47,;9.21,-2.47,;9.98,-1.14,;9.21,.2,;7.67,.2,;2.02,-.93,;2.02,.61,;.68,1.38,;.68,2.92,;.68,-1.7,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CNC[C@@H]4O)c([nH]c1=O)c23 |r,wU:25.26,wD:29.32,(-.54,4.01,;-1.63,2.92,;-2.96,3.69,;-4.29,2.92,;-5.63,3.69,;-6.96,2.92,;-8.3,3.69,;-9.63,2.92,;-9.63,1.38,;-8.3,.61,;-6.96,1.38,;-4.29,1.38,;-2.96,.61,;-1.63,1.38,;-.29,.61,;-.29,-.93,;-1.63,-1.7,;-1.63,-3.24,;-.29,-4.01,;1.04,-3.24,;2.5,-3.72,;3.41,-2.47,;4.95,-2.47,;5.72,-3.8,;5.72,-1.14,;7.26,-1.14,;8.16,.11,;9.63,-.37,;9.63,-1.91,;8.16,-2.38,;7.77,-3.87,;2.37,-.93,;2.37,.61,;1.04,1.38,;1.04,2.92,;1.04,-1.7,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C(=O)\C=C\CNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@H]4SC[C@@H]5NC(=O)N[C@H]45)c([nH]c1=O)c23 |r,wU:68.71,73.75,wD:65.67,(-18.47,-16.12,;-18.07,-17.61,;-19.16,-18.69,;-18.76,-20.18,;-19.85,-21.27,;-21.33,-20.87,;-21.73,-19.38,;-23.22,-18.99,;-24.31,-20.07,;-23.91,-21.56,;-22.42,-21.96,;-17.27,-20.58,;-16.18,-19.49,;-16.58,-18,;-15.49,-16.91,;-15.89,-15.43,;-17.46,-14.48,;-17.54,-12.94,;-16.25,-12.1,;-14.88,-12.8,;-13.44,-12.25,;-12.47,-13.45,;-10.99,-13.05,;-10.59,-11.56,;-9.9,-14.14,;-8.41,-13.74,;-7.32,-14.83,;-5.83,-14.43,;-5.43,-12.94,;-6.52,-11.85,;-8.01,-12.25,;-6.12,-10.36,;-7.21,-9.27,;-4.64,-9.96,;-4.24,-8.48,;-2.75,-8.08,;-2.35,-6.59,;-.86,-6.19,;.22,-7.28,;-.47,-4.7,;1.02,-4.31,;1.42,-2.82,;2.91,-2.42,;4,-3.51,;3.31,-.93,;4.79,-.53,;5.19,.95,;6.68,1.35,;7.08,2.84,;8.57,3.24,;8.96,4.73,;10.45,5.12,;10.85,6.61,;12.34,7.01,;12.74,8.5,;14.22,8.9,;14.62,10.38,;16.11,10.78,;16.51,12.27,;18,12.67,;19.09,11.58,;18.4,14.16,;19.88,14.56,;20.28,16.04,;21.77,16.44,;22.17,17.93,;23.63,18.41,;23.63,19.95,;22.17,20.42,;21.26,21.67,;19.8,21.19,;18.46,21.96,;19.8,19.65,;21.26,19.18,;-13.31,-14.74,;-12.91,-16.22,;-14,-17.31,;-13.6,-18.8,;-14.8,-14.34,)|
CNC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:15.17,(13.06,1.44,;11.52,1.44,;10.75,2.77,;11.52,4.1,;12.29,2.77,;9.21,2.77,;8.44,1.44,;9.21,.1,;9.98,-1.23,;6.9,1.44,;6.13,2.77,;6.13,.1,;6.9,-1.23,;6.13,-2.56,;4.59,-2.56,;3.82,-1.23,;4.59,.1,;2.28,-1.23,;1.51,-2.56,;2.28,-3.9,;-.03,-2.56,;-.93,-3.81,;-2.4,-3.33,;-3.73,-4.1,;-5.06,-3.33,;-5.06,-1.79,;-3.73,-1.02,;-3.73,.52,;-5.06,1.29,;-6.4,.52,;-7.73,1.29,;-7.73,2.83,;-9.06,3.6,;-10.4,2.83,;-11.73,3.6,;-13.06,2.83,;-13.06,1.29,;-11.73,.52,;-10.4,1.29,;-6.4,3.6,;-5.06,2.83,;-3.97,3.91,;-2.4,1.29,;-2.4,2.83,;-1.06,.52,;-1.06,-1.02,;-2.4,-1.79,)|
Clc1ccc2OCOc2c1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:21.22,(-8.58,-1.04,;-8.58,.5,;-9.91,1.27,;-9.91,2.81,;-8.58,3.58,;-8.26,5.09,;-6.72,5.25,;-6.1,3.84,;-7.24,2.81,;-7.24,1.27,;-5.91,.5,;-5.91,-1.04,;-7.24,-1.81,;-7.24,-3.35,;-5.91,-4.12,;-4.57,-3.35,;-3.11,-3.83,;-2.2,-2.58,;-.66,-2.58,;.11,-1.25,;.11,-3.91,;1.65,-3.91,;2.42,-5.25,;3.96,-5.25,;4.73,-3.91,;3.96,-2.58,;2.42,-2.58,;4.73,-1.25,;3.96,.09,;6.27,-1.25,;7.04,-2.58,;8.58,-2.58,;9.91,-3.35,;9.91,-1.81,;7.04,.09,;7.81,1.42,;-3.24,-1.04,;-3.24,.5,;-4.57,1.27,;-4.57,2.81,;-4.57,-1.81,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CC(C4)C(=O)CCS(C)(=O)=O)c([nH]c1=O)c23 |(-2.26,4.57,;-3.35,3.48,;-4.69,4.25,;-6.02,3.48,;-7.35,4.25,;-8.69,3.48,;-10.02,4.25,;-11.36,3.48,;-11.36,1.94,;-10.02,1.17,;-8.69,1.94,;-6.02,1.94,;-4.69,1.17,;-3.35,1.94,;-2.02,1.17,;-2.02,-.37,;-3.35,-1.14,;-3.35,-2.68,;-2.02,-3.45,;-.69,-2.68,;.78,-3.15,;1.68,-1.91,;3.22,-1.91,;3.99,-.57,;3.99,-3.24,;5.53,-3.24,;6.62,-4.33,;7.71,-3.24,;6.62,-2.15,;9.25,-3.24,;10.02,-4.57,;10.02,-1.91,;9.25,-.57,;10.02,.76,;10.79,2.1,;8.69,1.53,;11.36,-.01,;.65,-.37,;.65,1.17,;-.69,1.94,;-.69,3.48,;-.69,-1.14,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CNC[C@H]4O)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.41,4.01,;-1.49,2.92,;-2.83,3.69,;-4.16,2.92,;-5.5,3.69,;-6.83,2.92,;-8.16,3.69,;-9.5,2.92,;-9.5,1.38,;-8.16,.61,;-6.83,1.38,;-4.16,1.38,;-2.83,.61,;-1.49,1.38,;-.16,.61,;-.16,-.93,;-1.49,-1.7,;-1.49,-3.24,;-.16,-4.01,;1.17,-3.24,;2.51,-3.99,;3.28,-2.26,;4.82,-2.26,;5.59,-3.6,;5.59,-.93,;7.13,-.93,;8.03,.32,;9.5,-.16,;9.5,-1.7,;8.03,-2.18,;7.56,-3.64,;2.51,-.93,;2.51,.61,;1.17,1.38,;1.17,2.92,;1.17,-1.7,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5C(F)(F)F)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.85,-1.85,;9.08,-3.18,;9.85,-4.52,;9.08,-5.85,;7.54,-5.85,;6.77,-4.52,;7.54,-3.18,;5.23,-4.52,;4.46,-3.18,;5.23,-1.85,;2.92,-3.18,;2.15,-4.91,;.82,-4.16,;-.52,-4.93,;-1.85,-4.16,;-1.85,-2.62,;-.52,-1.85,;-.52,-.31,;-1.85,.46,;-3.18,-.31,;-4.52,.46,;-4.52,2,;-5.85,2.77,;-7.18,2,;-7.18,.46,;-8.52,-.31,;-9.85,.46,;-9.85,2,;-8.52,2.77,;-8.52,4.31,;-9.85,5.08,;-7.18,5.08,;-8.52,5.85,;-3.18,2.77,;-1.85,2,;-.76,3.09,;.82,.46,;.82,2,;2.15,-.31,;2.15,-1.85,;.82,-2.62,)|
CN1C[C@H](O)[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,wD:3.3,(10.16,.61,;8.83,-.16,;8.83,-1.7,;7.36,-2.18,;6.89,-3.64,;6.46,-.93,;7.36,.32,;4.92,-.93,;4.15,-2.26,;4.92,-3.6,;2.61,-2.26,;1.84,-3.99,;.51,-3.24,;-.83,-4.01,;-2.16,-3.24,;-2.16,-1.7,;-.83,-.93,;-.83,.61,;-2.16,1.38,;-3.49,.61,;-4.83,1.38,;-4.83,2.92,;-6.16,3.69,;-7.5,2.92,;-8.83,3.69,;-10.16,2.92,;-10.16,1.38,;-8.83,.61,;-7.5,1.38,;-3.49,3.69,;-2.16,2.92,;-1.07,4.01,;.51,1.38,;.51,2.92,;1.84,.61,;1.84,-.93,;.51,-1.7,)|
CO[C@H]1CN(C)C[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.8,wD:2.1,(7.92,-4.4,;6.89,-3.25,;7.36,-1.79,;8.83,-1.31,;8.83,.23,;10.16,1,;7.36,.7,;6.46,-.54,;4.92,-.54,;4.15,-1.88,;4.92,-3.21,;2.61,-1.88,;1.84,-3.6,;.51,-2.85,;-.83,-3.62,;-2.16,-2.85,;-2.16,-1.31,;-.83,-.54,;-.83,1,;-2.16,1.77,;-3.49,1,;-4.83,1.77,;-4.83,3.31,;-6.16,4.08,;-7.5,3.31,;-8.83,4.08,;-10.16,3.31,;-10.16,1.77,;-8.83,1,;-7.5,1.77,;-3.49,4.08,;-2.16,3.31,;-1.07,4.4,;.51,1.77,;.51,3.31,;1.84,1,;1.84,-.54,;.51,-1.31,)|
CO[C@H]1CNC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:6.7,wD:2.1,(8.59,-4.4,;7.56,-3.25,;8.03,-1.79,;9.5,-1.31,;9.5,.23,;8.03,.7,;7.13,-.54,;5.59,-.54,;4.82,-1.88,;5.59,-3.21,;3.28,-1.88,;2.51,-3.6,;1.17,-2.85,;-.16,-3.62,;-1.49,-2.85,;-1.49,-1.31,;-.16,-.54,;-.16,1,;-1.49,1.77,;-2.83,1,;-4.16,1.77,;-4.16,3.31,;-5.5,4.08,;-6.83,3.31,;-8.16,4.08,;-9.5,3.31,;-9.5,1.77,;-8.16,1,;-6.83,1.77,;-2.83,4.08,;-1.49,3.31,;-.41,4.4,;1.17,1.77,;1.17,3.31,;2.51,1,;2.51,-.54,;1.17,-1.31,)|
COCCC(=O)N1CC(C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(12.43,-3.6,;10.91,-3.6,;10.14,-2.26,;8.62,-2.26,;7.85,-.93,;8.62,.4,;6.33,-.93,;5.24,-2.02,;4.15,-.93,;5.24,.16,;2.64,-.93,;1.87,-2.26,;2.64,-3.6,;.35,-2.26,;-.42,-3.99,;-1.76,-3.24,;-3.09,-4.01,;-4.42,-3.24,;-4.42,-1.7,;-3.09,-.93,;-3.09,.61,;-4.42,1.38,;-5.76,.61,;-7.09,1.38,;-7.09,2.92,;-8.43,3.69,;-9.76,2.92,;-11.09,3.69,;-12.43,2.92,;-12.43,1.38,;-11.09,.61,;-9.76,1.38,;-5.76,3.69,;-4.42,2.92,;-3.33,4.01,;-1.76,1.38,;-1.76,2.92,;-.42,.61,;-.42,-.93,;-1.76,-1.7,)|
CC(C)\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.13,(12.2,-3.14,;11.43,-1.8,;12.2,-.47,;9.87,-1.8,;9.1,-.47,;7.54,-.47,;6.77,.86,;6.77,-1.8,;7.54,-3.14,;6.77,-4.47,;5.23,-4.47,;4.46,-3.14,;5.23,-1.8,;2.9,-3.14,;2.13,-1.8,;2.9,-.47,;.57,-1.8,;-.2,-3.53,;-1.54,-2.78,;-2.87,-3.55,;-4.2,-2.78,;-4.2,-1.24,;-2.87,-.47,;-2.87,1.07,;-4.2,1.84,;-5.54,1.07,;-6.87,1.84,;-6.87,3.38,;-8.2,4.15,;-9.54,3.38,;-10.87,4.15,;-12.2,3.38,;-12.2,1.84,;-10.87,1.07,;-9.54,1.84,;-5.54,4.15,;-4.2,3.38,;-3.11,4.47,;-1.54,1.84,;-1.54,3.38,;-.2,1.07,;-.2,-.47,;-1.54,-1.24,)|
CN1CC(C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(10.15,-.93,;8.61,-.93,;7.52,-2.02,;6.43,-.93,;7.52,.16,;4.91,-.93,;4.14,-2.26,;4.91,-3.6,;2.62,-2.26,;1.85,-3.99,;.52,-3.24,;-.81,-4.01,;-2.15,-3.24,;-2.15,-1.7,;-.81,-.93,;-.81,.61,;-2.15,1.38,;-3.48,.61,;-4.81,1.38,;-4.81,2.92,;-6.15,3.69,;-7.48,2.92,;-8.81,3.69,;-10.15,2.92,;-10.15,1.38,;-8.81,.61,;-7.48,1.38,;-3.48,3.69,;-2.15,2.92,;-1.06,4.01,;.52,1.38,;.52,2.92,;1.85,.61,;1.85,-.93,;.52,-1.7,)|
CN1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.85,-3.6,;9.08,-2.26,;9.85,-.93,;9.08,.4,;7.54,.4,;6.77,-.93,;7.54,-2.26,;5.23,-.93,;4.46,-2.26,;5.23,-3.6,;2.92,-2.26,;2.15,-3.99,;.82,-3.24,;-.52,-4.01,;-1.85,-3.24,;-1.85,-1.7,;-.52,-.93,;-.52,.61,;-1.85,1.38,;-3.18,.61,;-4.52,1.38,;-4.52,2.92,;-5.85,3.69,;-7.18,2.92,;-8.52,3.69,;-9.85,2.92,;-9.85,1.38,;-8.52,.61,;-7.18,1.38,;-3.18,3.69,;-1.85,2.92,;-.76,4.01,;.82,1.38,;.82,2.92,;2.15,.61,;2.15,-.93,;.82,-1.7,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC5CCCCC5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.85,-.47,;9.08,-1.8,;9.85,-3.14,;9.08,-4.47,;7.54,-4.47,;6.77,-3.14,;7.54,-1.8,;5.23,-3.14,;4.46,-1.8,;5.23,-.47,;2.92,-1.8,;2.15,-3.53,;.82,-2.78,;-.52,-3.55,;-1.85,-2.78,;-1.85,-1.24,;-.52,-.47,;-.52,1.07,;-1.85,1.84,;-3.18,1.07,;-4.52,1.84,;-4.52,3.38,;-5.85,4.15,;-7.18,3.38,;-8.52,4.15,;-9.85,3.38,;-9.85,1.84,;-8.52,1.07,;-7.18,1.84,;-3.18,4.15,;-1.85,3.38,;-.76,4.47,;.82,1.84,;.82,3.38,;2.15,1.07,;2.15,-.47,;.82,-1.24,)|
CCN1CC(C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(10.56,-1.92,;9.79,-3.26,;8.25,-3.26,;7.16,-4.35,;6.07,-3.26,;7.16,-2.17,;4.53,-3.26,;3.76,-1.92,;4.53,-.59,;2.22,-1.92,;1.45,-3.65,;.11,-2.9,;-1.22,-3.67,;-2.55,-2.9,;-2.55,-1.36,;-1.22,-.59,;-1.22,.95,;-2.55,1.72,;-3.89,.95,;-5.22,1.72,;-5.22,3.26,;-6.55,4.03,;-7.89,3.26,;-9.22,4.03,;-10.56,3.26,;-10.56,1.72,;-9.22,.95,;-7.89,1.72,;-3.89,4.03,;-2.55,3.26,;-1.46,4.35,;.11,1.72,;.11,3.26,;1.45,.95,;1.45,-.59,;.11,-1.36,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CNC4)c([nH]c1=O)c23 |(-.31,4.35,;-1.4,3.26,;-2.73,4.03,;-4.07,3.26,;-5.4,4.03,;-6.73,3.26,;-8.07,4.03,;-9.4,3.26,;-9.4,1.72,;-8.07,.95,;-6.73,1.72,;-4.07,1.72,;-2.73,.95,;-1.4,1.72,;-.06,.95,;-.06,-.59,;-1.4,-1.36,;-1.4,-2.9,;-.06,-3.67,;1.27,-2.9,;2.6,-3.65,;3.37,-1.93,;4.91,-1.93,;5.68,-.59,;5.68,-3.26,;7.22,-3.26,;8.31,-4.35,;9.4,-3.26,;8.31,-2.17,;2.6,-.59,;2.6,.95,;1.27,1.72,;1.27,3.26,;1.27,-1.36,)|
CNCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:9.11,(11.81,-4.47,;10.25,-4.47,;9.48,-3.14,;7.92,-3.14,;7.15,-4.47,;7.15,-1.8,;7.92,-.47,;7.15,.86,;5.61,.86,;4.84,-.47,;5.61,-1.8,;3.28,-.47,;2.51,-1.8,;3.28,-3.14,;.97,-1.8,;.2,-3.53,;-1.14,-2.78,;-2.47,-3.55,;-3.81,-2.78,;-3.81,-1.24,;-2.47,-.47,;-2.47,1.07,;-3.81,1.84,;-5.14,1.07,;-6.47,1.84,;-6.47,3.38,;-7.81,4.15,;-9.14,3.38,;-10.47,4.15,;-11.81,3.38,;-11.81,1.84,;-10.47,1.07,;-9.14,1.84,;-5.14,4.15,;-3.81,3.38,;-2.72,4.47,;-1.14,1.84,;-1.14,3.38,;.2,1.07,;.2,-.47,;-1.14,-1.24,)|
COc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Fc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Clc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccccc4)c(=O)[nH]c1c23 |r|
CC1CC(CCN1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(9.98,-.41,;9.21,-1.75,;7.67,-1.75,;6.9,-3.08,;7.67,-4.41,;9.21,-4.41,;9.98,-3.08,;5.36,-3.08,;4.59,-1.75,;5.36,-.41,;3.05,-1.75,;2.15,-2.99,;.68,-2.52,;-.65,-3.29,;-1.98,-2.52,;-1.98,-.98,;-.65,-.21,;-.65,1.33,;-1.98,2.1,;-3.32,1.33,;-4.65,2.1,;-4.65,3.64,;-5.98,4.41,;-7.32,3.64,;-8.65,4.41,;-9.98,3.64,;-9.98,2.1,;-8.65,1.33,;-7.32,2.1,;-3.32,4.41,;-1.98,3.64,;-.65,4.41,;.68,2.1,;.68,3.64,;2.02,1.33,;2.02,-.21,;.68,-.98,)|
CO[C@@H]1C[C@H](CN(C)C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CC(C)=C(Cl)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.13,(9.14,3.4,;9.91,2.07,;11.45,2.07,;9.14,.73,;9.91,-.6,;7.6,.73,;6.83,2.07,;6.83,-.6,;7.6,-1.93,;6.83,-3.27,;5.29,-3.27,;4.52,-1.93,;5.29,-.6,;2.98,-1.93,;2.21,-3.27,;2.98,-4.6,;.67,-3.27,;-.23,-4.51,;-1.7,-4.04,;-3.03,-4.81,;-4.37,-4.04,;-4.37,-2.5,;-3.03,-1.73,;-2.63,-.24,;-3.72,.85,;-5.21,.45,;-6.3,1.54,;-5.9,3.03,;-6.99,4.12,;-8.48,3.72,;-9.57,4.81,;-11.05,4.41,;-11.45,2.92,;-10.36,1.83,;-8.88,2.23,;-4.41,3.43,;-3.32,2.34,;-1.84,2.74,;-.92,.56,;-.53,2.04,;.17,-.53,;-.23,-2.02,;-1.7,-2.5,)|
C\C=C(/F)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.12,(11.91,.92,;10.37,.92,;9.6,-.41,;10.37,-1.75,;8.06,-.41,;7.29,.92,;7.29,-1.75,;8.06,-3.08,;7.29,-4.41,;5.75,-4.41,;4.98,-3.08,;5.75,-1.75,;3.44,-3.08,;2.67,-1.75,;3.44,-.41,;1.13,-1.75,;.22,-2.99,;-1.24,-2.52,;-2.57,-3.29,;-3.91,-2.52,;-3.91,-.98,;-2.57,-.21,;-2.57,1.33,;-3.91,2.1,;-5.24,1.33,;-6.57,2.1,;-6.57,3.64,;-7.91,4.41,;-9.24,3.64,;-10.58,4.41,;-11.91,3.64,;-11.91,2.1,;-10.58,1.33,;-9.24,2.1,;-5.24,4.41,;-3.91,3.64,;-2.57,4.41,;-1.24,2.1,;-1.24,3.64,;.09,1.33,;.09,-.21,;-1.24,-.98,)|
CN1CC(CC1=O)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
CC(C)=C(F)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.13,(11.91,.92,;10.37,.92,;9.6,2.25,;9.6,-.41,;10.37,-1.75,;8.06,-.41,;7.29,.92,;7.29,-1.75,;8.06,-3.08,;7.29,-4.41,;5.75,-4.41,;4.98,-3.08,;5.75,-1.75,;3.44,-3.08,;2.67,-1.75,;3.44,-.41,;1.13,-1.75,;.22,-2.99,;-1.24,-2.52,;-2.57,-3.29,;-3.91,-2.52,;-3.91,-.98,;-2.57,-.21,;-2.57,1.33,;-3.91,2.1,;-5.24,1.33,;-6.57,2.1,;-6.57,3.64,;-7.91,4.41,;-9.24,3.64,;-10.58,4.41,;-11.91,3.64,;-11.91,2.1,;-10.58,1.33,;-9.24,2.1,;-5.24,4.41,;-3.91,3.64,;-2.57,4.41,;-1.24,2.1,;-1.24,3.64,;.09,1.33,;.09,-.21,;-1.24,-.98,)|
Cc1cc(ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23)S(F)(F)(F)(F)F |r,wD:18.18,(-2.96,4.52,;-4.29,3.75,;-5.63,4.52,;-6.96,3.75,;-6.96,2.21,;-5.63,1.44,;-4.29,2.21,;-2.96,1.44,;-2.96,-.1,;-4.29,-.87,;-4.29,-2.41,;-2.96,-3.18,;-1.63,-2.41,;-.16,-2.89,;.74,-1.64,;2.28,-1.64,;3.05,-.31,;3.05,-2.98,;4.59,-2.98,;5.5,-1.73,;6.96,-2.21,;6.96,-3.75,;5.5,-4.22,;8.3,-4.52,;8.3,-6.06,;9.63,-3.75,;9.63,-2.21,;-.29,-.1,;-.29,1.44,;-1.63,2.21,;-1.63,3.75,;-1.63,-.87,;-8.3,4.52,;-9.63,5.29,;-8.3,6.06,;-6.96,5.29,;-8.3,2.98,;-9.63,3.75,)|
CN1CCC[C@H]1CNC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:5.6,(10.12,-3,;9.03,-1.91,;9.11,-.37,;7.67,.18,;6.7,-1.02,;7.54,-2.31,;6.77,-3.64,;5.23,-3.64,;4.46,-2.31,;5.23,-.98,;2.92,-2.31,;2.02,-3.56,;.55,-3.08,;-.78,-3.85,;-2.12,-3.08,;-2.12,-1.54,;-.78,-.77,;-.78,.77,;-2.12,1.54,;-3.45,.77,;-4.78,1.54,;-4.78,3.08,;-6.12,3.85,;-7.45,3.08,;-8.78,3.85,;-10.12,3.08,;-10.12,1.54,;-8.78,.77,;-7.45,1.54,;-3.45,3.85,;-2.12,3.08,;-.78,3.85,;.55,1.54,;.55,3.08,;1.89,.77,;1.89,-.77,;.55,-1.54,)|
CN1C[C@@H](O)C[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:6.8,3.3,(9.98,-3.64,;9.21,-2.31,;9.98,-.98,;9.21,.36,;9.98,1.69,;7.67,.36,;6.9,-.98,;7.67,-2.31,;5.36,-.98,;4.59,-2.31,;5.36,-3.64,;3.05,-2.31,;2.15,-3.56,;.68,-3.08,;-.65,-3.85,;-1.98,-3.08,;-1.98,-1.54,;-.65,-.77,;-.65,.77,;-1.98,1.54,;-3.32,.77,;-4.65,1.54,;-4.65,3.08,;-5.98,3.85,;-7.32,3.08,;-8.65,3.85,;-9.98,3.08,;-9.98,1.54,;-8.65,.77,;-7.32,1.54,;-3.32,3.85,;-1.98,3.08,;-.65,3.85,;.68,1.54,;.68,3.08,;2.02,.77,;2.02,-.77,;.68,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCOC4)c([nH]c1=O)c23 |r,wD:25.26,(-.65,4.41,;-1.98,3.64,;-3.32,4.41,;-4.65,3.64,;-5.98,4.41,;-7.32,3.64,;-8.65,4.41,;-9.98,3.64,;-9.98,2.1,;-8.65,1.33,;-7.32,2.1,;-4.65,2.1,;-3.32,1.33,;-1.98,2.1,;-.65,1.33,;-.65,-.21,;-1.98,-.98,;-1.98,-2.52,;-.65,-3.29,;.68,-2.52,;2.15,-2.99,;3.05,-1.75,;4.59,-1.75,;5.36,-.41,;5.36,-3.08,;6.9,-3.08,;7.67,-4.41,;9.21,-4.41,;9.98,-3.08,;9.21,-1.75,;7.67,-1.75,;2.02,-.21,;2.02,1.33,;.68,2.1,;.68,3.64,;.68,-.98,)|
CO[C@@H]1CNC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:6.8,2.1,(9.21,3.02,;9.98,1.69,;9.21,.36,;9.98,-.98,;9.21,-2.31,;7.67,-2.31,;6.9,-.98,;7.67,.36,;5.36,-.98,;4.59,-2.31,;5.36,-3.64,;3.05,-2.31,;2.15,-3.56,;.68,-3.08,;-.65,-3.85,;-1.98,-3.08,;-1.98,-1.54,;-.65,-.77,;-.65,.77,;-1.98,1.54,;-3.32,.77,;-4.65,1.54,;-4.65,3.08,;-5.98,3.85,;-7.32,3.08,;-8.65,3.85,;-9.98,3.08,;-9.98,1.54,;-8.65,.77,;-7.32,1.54,;-3.32,3.85,;-1.98,3.08,;-.65,3.85,;.68,1.54,;.68,3.08,;2.02,.77,;2.02,-.77,;.68,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC[C@@H]4CCCN4)c([nH]c1=O)c23 |r,wD:26.27,(-.28,3.85,;-1.61,3.08,;-2.95,3.85,;-4.28,3.08,;-5.61,3.85,;-6.95,3.08,;-8.28,3.85,;-9.61,3.08,;-9.61,1.54,;-8.28,.77,;-6.95,1.54,;-4.28,1.54,;-2.95,.77,;-1.61,1.54,;-.28,.77,;-.28,-.77,;-1.61,-1.54,;-1.61,-3.08,;-.28,-3.85,;1.06,-3.08,;2.52,-3.56,;3.43,-2.31,;4.97,-2.31,;5.74,-.98,;5.74,-3.64,;7.28,-3.64,;8.05,-2.31,;7.21,-1.02,;8.18,.18,;9.61,-.37,;9.53,-1.91,;2.39,-.77,;2.39,.77,;1.06,1.54,;1.06,3.08,;1.06,-1.54,)|
Cc1cc(OC2CCOCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-2.29,5.29,;-3.63,4.52,;-4.96,5.29,;-6.3,4.52,;-7.63,5.29,;-8.96,4.52,;-10.3,5.29,;-11.63,4.52,;-11.63,2.98,;-10.3,2.21,;-8.96,2.98,;-6.3,2.98,;-4.96,2.21,;-3.63,2.98,;-2.29,2.21,;-2.29,.67,;-3.63,-.1,;-3.63,-1.64,;-2.29,-2.41,;-.96,-1.64,;.5,-2.12,;1.41,-.87,;2.95,-.87,;3.72,.46,;3.72,-2.21,;5.26,-2.21,;6.16,-.96,;7.63,-1.44,;7.63,-2.98,;6.16,-3.45,;8.96,-3.75,;8.96,-5.29,;10.3,-2.98,;11.63,-3.75,;.37,.67,;.37,2.21,;-.96,2.98,;-.96,4.52,;-.96,-.1,)|
Cc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
CN1C[C@@H](CC(F)(F)C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:3.9,(9.56,.27,;8.79,-1.06,;7.25,-1.06,;6.48,-2.39,;7.25,-3.73,;8.79,-3.73,;10.12,-4.5,;8.39,-5.21,;9.56,-2.39,;4.94,-2.39,;4.17,-1.06,;4.94,.27,;2.65,-1.06,;1.88,-2.79,;.55,-2.04,;-.79,-2.81,;-2.12,-2.04,;-2.12,-.5,;-.79,.27,;-.79,1.81,;-2.12,2.58,;-3.46,1.81,;-4.79,2.58,;-4.79,4.12,;-6.12,4.89,;-7.46,4.12,;-8.79,4.89,;-10.12,4.12,;-10.12,2.58,;-8.79,1.81,;-7.46,2.58,;-3.46,4.89,;-2.12,4.12,;-1.03,5.21,;.55,2.58,;.55,4.12,;1.88,1.81,;1.88,.27,;.55,-.5,)|
CC(C)N1CC(C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(10.56,-1.8,;9.79,-3.14,;10.56,-4.47,;8.25,-3.14,;7.16,-4.23,;6.07,-3.14,;7.16,-2.05,;4.53,-3.14,;3.76,-1.8,;4.53,-.47,;2.22,-1.8,;1.45,-3.53,;.11,-2.78,;-1.22,-3.55,;-2.55,-2.78,;-2.55,-1.24,;-1.22,-.47,;-1.22,1.07,;-2.55,1.84,;-3.89,1.07,;-5.22,1.84,;-5.22,3.38,;-6.55,4.15,;-7.89,3.38,;-9.22,4.15,;-10.56,3.38,;-10.56,1.84,;-9.22,1.07,;-7.89,1.84,;-3.89,4.15,;-2.55,3.38,;-1.46,4.47,;.11,1.84,;.11,3.38,;1.45,1.07,;1.45,-.47,;.11,-1.24,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\C(C)(C)C)c([nH]c1=O)c23 |r,wU:25.26,(-3.43,4.47,;-4.52,3.38,;-5.86,4.15,;-7.19,3.38,;-8.52,4.15,;-9.86,3.38,;-11.19,4.15,;-12.52,3.38,;-12.52,1.84,;-11.19,1.07,;-9.86,1.84,;-7.19,1.84,;-5.86,1.07,;-4.52,1.84,;-3.19,1.07,;-3.19,-.47,;-4.52,-1.24,;-4.52,-2.78,;-3.19,-3.55,;-1.86,-2.78,;-.52,-3.53,;.25,-1.8,;1.79,-1.8,;2.56,-.47,;2.56,-3.14,;4.1,-3.14,;4.87,-4.47,;6.41,-4.47,;7.18,-3.14,;6.41,-1.8,;4.87,-1.8,;7.18,-.47,;6.41,.86,;8.7,-.47,;9.47,-1.8,;10.98,-1.8,;11.75,-3.14,;11.75,-.47,;12.52,-1.8,;-.52,-.47,;-.52,1.07,;-1.86,1.84,;-1.86,3.38,;-1.86,-1.24,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NCCN4CCOCC4)c([nH]c1=O)c23 |(-1.92,4.01,;-3.01,2.92,;-4.35,3.69,;-5.68,2.92,;-7.01,3.69,;-8.35,2.92,;-9.68,3.69,;-11.02,2.92,;-11.02,1.38,;-9.68,.61,;-8.35,1.38,;-5.68,1.38,;-4.35,.61,;-3.01,1.38,;-1.68,.61,;-1.68,-.93,;-3.01,-1.7,;-3.01,-3.24,;-1.68,-4.01,;-.35,-3.24,;.99,-3.99,;1.76,-2.26,;3.3,-2.26,;4.07,-.93,;4.07,-3.6,;5.63,-3.6,;6.4,-2.26,;7.96,-2.26,;8.73,-.93,;10.25,-.93,;11.02,-2.26,;10.25,-3.6,;8.73,-3.6,;.99,-.93,;.99,.61,;-.35,1.38,;-.35,2.92,;-.35,-1.7,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC[C@H]4CCCN4)c([nH]c1=O)c23 |r,wU:26.27,(-.54,4.01,;-1.63,2.92,;-2.96,3.69,;-4.3,2.92,;-5.63,3.69,;-6.96,2.92,;-8.3,3.69,;-9.63,2.92,;-9.63,1.38,;-8.3,.61,;-6.96,1.38,;-4.3,1.38,;-2.96,.61,;-1.63,1.38,;-.3,.61,;-.3,-.93,;-1.63,-1.7,;-1.63,-3.24,;-.3,-4.01,;1.04,-3.24,;2.37,-3.99,;3.14,-2.26,;4.68,-2.26,;5.45,-.93,;5.45,-3.6,;7.01,-3.6,;7.78,-2.26,;7.15,-.86,;8.3,.17,;9.63,-.6,;9.31,-2.1,;2.37,-.93,;2.37,.61,;1.04,1.38,;1.04,2.92,;1.04,-1.7,)|
C\C=C(/Cl)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.12,(11.79,3.23,;10.25,3.23,;9.48,1.9,;10.25,.56,;7.94,1.9,;7.17,3.23,;7.17,.56,;7.94,-.77,;7.17,-2.1,;5.63,-2.1,;4.86,-.77,;5.63,.56,;3.3,-.77,;2.53,-2.1,;3.3,-3.44,;.99,-2.1,;.22,-3.83,;-1.12,-3.08,;-2.45,-3.85,;-3.79,-3.08,;-3.79,-1.54,;-2.45,-.77,;-2.45,.77,;-3.79,1.54,;-5.12,.77,;-6.45,1.54,;-6.45,3.08,;-7.79,3.85,;-9.12,3.08,;-10.45,3.85,;-11.79,3.08,;-11.79,1.54,;-10.45,.77,;-9.12,1.54,;-5.12,3.85,;-3.79,3.08,;-2.45,3.85,;-1.12,1.54,;-1.12,3.08,;.22,.77,;.22,-.77,;-1.12,-1.54,)|
FC(F)(F)c1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:28.29,(-2.3,6.55,;-1.91,5.06,;-.42,5.46,;-1.14,6.39,;-2.99,3.97,;-4.33,4.74,;-5.66,3.97,;-7,4.74,;-8.33,3.97,;-9.66,4.74,;-11,3.97,;-11,2.43,;-9.66,1.66,;-8.33,2.43,;-5.66,2.43,;-4.33,1.66,;-2.99,2.43,;-1.66,1.66,;-1.66,.12,;-2.99,-.65,;-2.99,-2.19,;-1.66,-2.96,;-.33,-2.19,;1.01,-2.94,;1.78,-1.21,;3.3,-1.21,;4.07,.12,;4.07,-2.55,;5.61,-2.55,;6.38,-1.21,;7.92,-1.21,;8.69,-2.55,;7.92,-3.88,;6.38,-3.88,;8.69,-5.21,;7.92,-6.55,;10.23,-5.21,;11,-3.88,;1.01,.12,;1.01,1.66,;-.33,2.43,;-.33,3.97,;-.33,-.65,)|
Cc1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
FC(F)(F)c1cc(ccc1Cl)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)c(C)c4C)c(=O)[nH]c1c23 |r,wD:5.7,(9.85,-4.21,;9.08,-2.87,;9.85,-1.54,;9.08,-.21,;7.54,-.21,;6.77,-1.54,;7.54,-2.87,;5.23,-1.54,;4.46,-2.87,;5.23,-4.21,;2.92,-2.87,;2.15,-4.6,;.82,-3.85,;-.52,-4.62,;-1.85,-3.85,;-1.85,-2.31,;-.52,-1.54,;-.52,,;-1.85,.77,;-3.18,,;-4.52,.77,;-4.52,2.31,;-5.85,3.08,;-7.18,2.31,;-8.52,3.08,;-9.85,2.31,;-9.85,.77,;-8.52,,;-7.18,.77,;-3.18,3.08,;-3.18,4.62,;-1.85,2.31,;-.52,3.08,;.82,.77,;.82,2.31,;2.15,,;2.15,-1.54,;.82,-2.31,)|
CN1CCC(CNC(=O)c2sc3nccc4n(-c5ccc(Oc6ccccc6)cc5C)c(=O)[nH]c2c34)C1 |(10.34,2.86,;8.94,2.23,;7.6,3,;6.46,1.97,;7.09,.56,;6.32,-.77,;4.74,-.77,;3.97,-2.1,;4.74,-3.44,;2.43,-2.1,;1.66,-3.83,;.33,-3.08,;-1.01,-3.85,;-2.34,-3.08,;-2.34,-1.54,;-1.01,-.77,;-1.01,.77,;-2.34,1.54,;-3.68,.77,;-5.01,1.54,;-5.01,3.08,;-6.34,3.85,;-7.68,3.08,;-9.01,3.85,;-10.34,3.08,;-10.34,1.54,;-9.01,.77,;-7.68,1.54,;-3.68,3.85,;-2.34,3.08,;-1.01,3.85,;.33,1.54,;.33,3.08,;1.66,.77,;1.66,-.77,;.33,-1.54,;8.62,.72,)|
CC(C)Oc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C)C4)c([nH]c1=O)c23 |r,wU:29.30,(-9.23,6.24,;-9.23,4.7,;-10.57,3.93,;-7.9,3.93,;-7.9,2.39,;-9.23,1.62,;-9.23,.08,;-7.9,-.69,;-6.56,.08,;-6.56,1.62,;-5.23,2.39,;-3.9,1.62,;-3.9,.08,;-2.56,-.69,;-1.23,.08,;-1.23,1.62,;-.14,2.7,;-2.56,2.39,;.1,-.69,;.1,-2.23,;-1.23,-3,;-1.23,-4.54,;.1,-5.31,;1.44,-4.54,;2.77,-5.3,;3.54,-3.57,;5.08,-3.57,;5.85,-2.23,;5.85,-4.9,;7.49,-4.9,;8.26,-6.24,;9.8,-6.24,;10.57,-4.9,;9.8,-3.57,;10.57,-2.23,;8.26,-3.57,;2.77,-2.23,;2.77,-.69,;1.44,.08,;1.44,1.62,;1.44,-3,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC5CCC5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.51,-.47,;8.74,-1.8,;9.51,-3.14,;8.74,-4.47,;7.2,-4.47,;6.43,-3.14,;7.2,-1.8,;4.79,-3.14,;4.02,-1.8,;4.79,-.47,;2.48,-1.8,;1.71,-3.53,;.38,-2.78,;-.95,-3.55,;-2.29,-2.78,;-2.29,-1.24,;-.95,-.47,;-.95,1.07,;-2.29,1.84,;-3.62,1.07,;-4.95,1.84,;-4.95,3.38,;-6.29,4.15,;-7.62,3.38,;-9.11,3.78,;-9.51,2.29,;-8.02,1.89,;-3.62,4.15,;-2.29,3.38,;-1.2,4.47,;.38,1.84,;.38,3.38,;1.71,1.07,;1.71,-.47,;.38,-1.24,)|
CN1CCC[C@@H]1CNC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.6,(10.02,-3.25,;8.99,-2.1,;9.31,-.6,;7.98,.17,;6.84,-.86,;7.46,-2.26,;6.69,-3.6,;5.06,-3.6,;4.29,-2.26,;5.06,-.93,;2.75,-2.26,;1.98,-3.99,;.65,-3.24,;-.69,-4.01,;-2.02,-3.24,;-2.02,-1.7,;-.69,-.93,;-.69,.61,;-2.02,1.38,;-3.36,.61,;-4.69,1.38,;-4.69,2.92,;-6.02,3.69,;-7.36,2.92,;-8.69,3.69,;-10.02,2.92,;-10.02,1.38,;-8.69,.61,;-7.36,1.38,;-3.36,3.69,;-2.02,2.92,;-.93,4.01,;.65,1.38,;.65,2.92,;1.98,.61,;1.98,-.93,;.65,-1.7,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cc(F)cc(F)c5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(10.56,-.47,;9.79,-1.8,;10.56,-3.14,;9.79,-4.47,;8.25,-4.47,;7.48,-3.14,;8.25,-1.8,;5.84,-3.14,;5.07,-1.8,;5.84,-.47,;3.55,-1.8,;2.78,-3.53,;1.45,-2.78,;.11,-3.55,;-1.22,-2.78,;-1.22,-1.24,;.11,-.47,;.11,1.07,;-1.22,1.84,;-2.55,1.07,;-3.89,1.84,;-3.89,3.38,;-5.22,4.15,;-6.55,3.38,;-6.55,1.84,;-7.89,1.07,;-7.89,-.47,;-9.22,1.84,;-9.22,3.38,;-10.56,4.15,;-7.89,4.15,;-2.55,4.15,;-1.22,3.38,;-.13,4.47,;1.45,1.84,;1.45,3.38,;2.78,1.07,;2.78,-.47,;1.45,-1.24,)|
CN(C)CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:10.12,(11.8,-3.64,;10.26,-3.64,;9.49,-4.98,;9.49,-2.31,;7.95,-2.31,;7.18,-3.64,;7.18,-.98,;7.95,.36,;7.18,1.69,;5.64,1.69,;4.87,.36,;5.64,-.98,;3.29,.36,;2.52,-.98,;3.29,-2.31,;.97,-.98,;.2,-2.7,;-1.13,-1.95,;-2.46,-2.72,;-3.8,-1.95,;-3.8,-.41,;-2.46,.36,;-2.46,1.9,;-3.8,2.67,;-5.13,1.9,;-6.46,2.67,;-6.46,4.21,;-7.8,4.98,;-9.13,4.21,;-9.13,2.67,;-10.46,1.9,;-11.8,2.67,;-11.8,4.21,;-10.46,4.98,;-5.13,4.98,;-3.8,4.21,;-2.46,4.98,;-1.13,2.67,;-1.13,4.21,;.2,1.9,;.2,.36,;-1.13,-.41,)|
FC(F)(F)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-.89,3.24,;-2.33,2.68,;-3.52,3.65,;-4.96,3.1,;-6.16,4.06,;-7.6,3.51,;-8.79,4.48,;-10.23,3.92,;-10.47,2.4,;-9.27,1.44,;-7.83,1.99,;-5.2,1.58,;-4,.61,;-2.56,1.16,;-1.4,.19,;-1.7,-1.4,;-3.04,-2.17,;-3.04,-3.71,;-1.7,-4.48,;-.37,-3.71,;1.09,-4.18,;2,-2.94,;3.54,-2.94,;4.31,-4.27,;4.31,-1.6,;5.85,-1.6,;6.62,-2.94,;8.16,-2.94,;8.93,-1.6,;8.16,-.27,;6.62,-.27,;8.93,1.06,;10.47,1.06,;8.16,2.4,;8.93,3.73,;1.09,-1.69,;1.25,-.3,;.09,.68,;.4,2.19,;-.37,-2.17,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccc(C)cc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(10.56,-.47,;9.79,-1.8,;10.56,-3.14,;9.79,-4.47,;8.25,-4.47,;7.48,-3.14,;8.25,-1.8,;5.88,-3.14,;5.11,-1.8,;5.88,-.47,;3.55,-1.8,;2.78,-3.53,;1.45,-2.78,;.11,-3.55,;-1.22,-2.78,;-1.22,-1.24,;.11,-.47,;.11,1.07,;-1.22,1.84,;-2.55,1.07,;-3.89,1.84,;-3.89,3.38,;-5.22,4.15,;-6.55,3.38,;-7.89,4.15,;-9.22,3.38,;-9.22,1.84,;-10.56,1.07,;-7.89,1.07,;-6.55,1.84,;-2.55,4.15,;-1.22,3.38,;-.13,4.47,;1.45,1.84,;1.45,3.38,;2.78,1.07,;2.78,-.47,;1.45,-1.24,)|
C[C@H]1COCCN1CCNC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:1.0,(7.94,-1.14,;8.71,-2.47,;10.25,-2.47,;11.02,-3.8,;10.25,-5.14,;8.71,-5.14,;7.94,-3.8,;6.4,-3.8,;5.63,-2.47,;4.07,-2.47,;3.3,-1.14,;4.07,.2,;1.76,-1.14,;.99,-2.86,;-.35,-2.11,;-1.68,-2.88,;-3.01,-2.11,;-3.01,-.57,;-1.68,.2,;-1.68,1.74,;-3.01,2.51,;-4.35,1.74,;-5.68,2.51,;-5.68,4.05,;-7.02,4.82,;-8.35,4.05,;-9.68,4.82,;-11.02,4.05,;-11.02,2.51,;-9.68,1.74,;-8.35,2.51,;-4.35,4.82,;-3.01,4.05,;-1.93,5.14,;-.35,2.51,;-.35,4.05,;.99,1.74,;.99,.2,;-.35,-.57,)|
CNC\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:11.13,(13.02,-1.8,;11.44,-1.8,;10.67,-3.14,;9.13,-3.14,;8.36,-4.47,;6.82,-4.47,;6.05,-5.8,;6.05,-3.14,;6.82,-1.8,;6.05,-.47,;4.51,-.47,;3.74,-1.8,;4.51,-3.14,;2.06,-1.8,;1.29,-.47,;2.06,.86,;-.25,-.47,;-1.02,-2.2,;-2.35,-1.45,;-3.69,-2.22,;-5.02,-1.45,;-5.02,.09,;-3.69,.86,;-3.69,2.4,;-5.02,3.17,;-6.35,2.4,;-7.69,3.17,;-7.69,4.71,;-9.02,5.48,;-10.35,4.71,;-11.69,5.48,;-13.02,4.71,;-13.02,3.17,;-11.69,2.4,;-10.35,3.17,;-6.35,5.48,;-5.02,4.71,;-3.93,5.8,;-2.35,3.17,;-2.35,4.71,;-1.02,2.4,;-1.02,.86,;-2.35,.09,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccnc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.85,-.47,;9.08,-1.8,;9.85,-3.14,;9.08,-4.47,;7.54,-4.47,;6.77,-3.14,;7.54,-1.8,;5.23,-3.14,;4.46,-1.8,;5.23,-.47,;2.92,-1.8,;2.15,-3.53,;.82,-2.78,;-.52,-3.55,;-1.85,-2.78,;-1.85,-1.24,;-.52,-.47,;-.52,1.07,;-1.85,1.84,;-3.18,1.07,;-4.52,1.84,;-4.52,3.38,;-5.85,4.15,;-7.18,3.38,;-8.52,4.15,;-9.85,3.38,;-9.85,1.84,;-8.52,1.07,;-7.18,1.84,;-3.18,4.15,;-1.85,3.38,;-.76,4.47,;.82,1.84,;.82,3.38,;2.15,1.07,;2.15,-.47,;.82,-1.24,)|
Clc1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccc(F)cc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(10.54,-.47,;9.77,-1.8,;10.54,-3.14,;9.77,-4.47,;8.23,-4.47,;7.46,-3.14,;8.23,-1.8,;5.88,-3.14,;5.11,-1.8,;5.88,-.47,;3.57,-1.8,;2.8,-3.53,;1.47,-2.78,;.13,-3.55,;-1.2,-2.78,;-1.2,-1.24,;.13,-.47,;.13,1.07,;-1.2,1.84,;-2.53,1.07,;-3.87,1.84,;-3.87,3.38,;-5.2,4.15,;-6.54,3.38,;-7.87,4.15,;-9.2,3.38,;-9.2,1.84,;-10.54,1.07,;-7.87,1.07,;-6.54,1.84,;-2.53,4.15,;-1.2,3.38,;-.11,4.47,;1.47,1.84,;1.47,3.38,;2.8,1.07,;2.8,-.47,;1.47,-1.24,)|
C[C@@H]1COCCN1CCNC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:1.0,(7.96,.4,;8.73,-.93,;10.27,-.93,;11.04,-2.26,;10.27,-3.6,;8.73,-3.6,;7.96,-2.26,;6.38,-2.26,;5.61,-3.6,;4.05,-3.6,;3.28,-2.26,;4.05,-.93,;1.74,-2.26,;.97,-3.99,;-.37,-3.24,;-1.7,-4.01,;-3.03,-3.24,;-3.03,-1.7,;-1.7,-.93,;-1.7,.61,;-3.03,1.38,;-4.37,.61,;-5.7,1.38,;-5.7,2.92,;-7.04,3.69,;-8.37,2.92,;-9.7,3.69,;-11.04,2.92,;-11.04,1.38,;-9.7,.61,;-8.37,1.38,;-4.37,3.69,;-3.03,2.92,;-1.95,4.01,;-.37,1.38,;-.37,2.92,;.97,.61,;.97,-.93,;-.37,-1.7,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC5CCCC5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.74,-.47,;8.97,-1.8,;9.74,-3.14,;8.97,-4.47,;7.43,-4.47,;6.66,-3.14,;7.43,-1.8,;5.12,-3.14,;4.35,-1.8,;5.12,-.47,;2.81,-1.8,;2.04,-3.53,;.7,-2.78,;-.63,-3.55,;-1.96,-2.78,;-1.96,-1.24,;-.63,-.47,;-.63,1.07,;-1.96,1.84,;-3.3,1.07,;-4.63,1.84,;-4.63,3.38,;-5.97,4.15,;-7.3,3.38,;-8.71,4.01,;-9.74,2.86,;-8.97,1.53,;-7.46,1.85,;-3.3,4.15,;-1.96,3.38,;-.88,4.47,;.7,1.84,;.7,3.38,;2.04,1.07,;2.04,-.47,;.7,-1.24,)|
CN1CCCC1CCNC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(8.71,-2.15,;9.19,-.68,;10.65,-.21,;10.65,1.33,;9.19,1.81,;8.28,.56,;6.74,.56,;5.97,-.77,;4.43,-.77,;3.66,-2.1,;4.43,-3.44,;2.12,-2.1,;1.35,-3.83,;.02,-3.08,;-1.32,-3.85,;-2.65,-3.08,;-2.65,-1.54,;-1.32,-.77,;-1.32,.77,;-2.65,1.54,;-3.98,.77,;-5.32,1.54,;-5.32,3.08,;-6.65,3.85,;-7.98,3.08,;-9.32,3.85,;-10.65,3.08,;-10.65,1.54,;-9.32,.77,;-7.98,1.54,;-3.98,3.85,;-2.65,3.08,;-1.32,3.85,;.02,1.54,;.02,3.08,;1.35,.77,;1.35,-.77,;.02,-1.54,)|
COc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:20.20,(-10.16,3.08,;-8.83,3.85,;-7.5,3.08,;-7.5,1.54,;-6.16,.77,;-4.83,1.54,;-4.83,3.08,;-3.49,3.85,;-6.16,3.85,;-3.49,.77,;-3.49,-.77,;-4.83,-1.54,;-4.83,-3.08,;-3.49,-3.85,;-2.16,-3.08,;-.83,-3.83,;-.06,-2.1,;1.48,-2.1,;2.25,-3.44,;2.25,-.77,;3.79,-.77,;4.7,-2.02,;6.16,-1.54,;6.16,,;4.7,.48,;7.5,.77,;7.5,2.31,;8.83,,;10.16,.77,;-.83,-.77,;-.83,.77,;-2.16,1.54,;-2.16,3.08,;-2.16,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:25.26,(-2.85,-.79,;-3.01,.75,;-4.42,1.37,;-4.58,2.9,;-5.98,3.53,;-7.23,2.62,;-8.64,3.25,;-9.88,2.35,;-9.72,.81,;-8.31,.19,;-7.07,1.09,;-3.33,3.81,;-1.92,3.18,;-1.76,1.65,;-.36,1.02,;-.2,-.51,;-1.3,-1.81,;-.77,-3.29,;.67,-3.81,;1.69,-2.6,;3.23,-2.6,;3.7,-1.13,;5.17,-.66,;6.31,-1.69,;5.49,.85,;6.95,1.32,;7.27,2.83,;8.74,3.31,;9.88,2.28,;9.56,.77,;8.1,.29,;2.46,-.23,;2.3,1.3,;.89,1.93,;.73,3.46,;1.21,-1.13,)|
Fc1ccccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:18.18,(-5.07,4.43,;-6.16,3.34,;-7.5,4.11,;-8.83,3.34,;-8.83,1.8,;-7.5,1.03,;-6.16,1.8,;-4.83,1.03,;-4.83,-.51,;-6.16,-1.28,;-6.16,-2.82,;-4.83,-3.59,;-3.49,-2.82,;-2.16,-3.57,;-1.39,-1.85,;.15,-1.85,;.92,-.51,;.92,-3.18,;2.46,-3.18,;3.36,-4.43,;4.83,-3.95,;4.83,-2.41,;3.36,-1.93,;6.16,-1.64,;6.16,-.1,;7.5,-2.41,;8.83,-1.64,;-2.16,-.51,;-2.16,1.03,;-3.49,1.8,;-3.49,3.34,;-3.49,-1.28,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccc(F)cc5F)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(10.54,1.9,;9.77,.56,;10.54,-.77,;9.77,-2.1,;8.23,-2.1,;7.46,-.77,;8.23,.56,;5.88,-.77,;5.11,-2.1,;5.88,-3.44,;3.57,-2.1,;2.8,-3.83,;1.47,-3.08,;.13,-3.85,;-1.2,-3.08,;-1.2,-1.54,;.13,-.77,;.13,.77,;-1.2,1.54,;-2.53,.77,;-3.87,1.54,;-3.87,3.08,;-5.2,3.85,;-6.54,3.08,;-7.87,3.85,;-9.2,3.08,;-9.2,1.54,;-10.54,.77,;-7.87,.77,;-6.54,1.54,;-5.2,.77,;-2.53,3.85,;-1.2,3.08,;.13,3.85,;1.47,1.54,;1.47,3.08,;2.8,.77,;2.8,-.77,;1.47,-1.54,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cc(F)c(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.96,-.35,;9.19,-1.68,;9.96,-3.02,;9.19,-4.35,;7.65,-4.35,;6.88,-3.02,;7.65,-1.68,;5.34,-3.02,;4.57,-1.68,;5.34,-.35,;3.03,-1.68,;2.19,-2.98,;.71,-2.58,;-.63,-3.35,;-1.96,-2.58,;-1.96,-1.04,;-.63,-.27,;-.63,1.27,;-1.96,2.04,;-3.29,1.27,;-4.63,2.04,;-5.96,1.27,;-4.63,3.58,;-5.96,4.35,;-7.3,3.58,;-8.63,4.35,;-9.96,3.58,;-9.96,2.04,;-8.63,1.27,;-7.3,2.04,;-3.29,4.35,;-1.96,3.58,;-.63,4.35,;.71,2.04,;.71,3.58,;2.04,1.27,;2.04,-.27,;.71,-1.04,)|
Cc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:19.19,(-8.93,3.96,;-7.6,3.19,;-7.6,1.65,;-6.27,.88,;-4.93,1.65,;-4.93,3.19,;-3.6,3.96,;-6.27,3.96,;-3.6,.88,;-3.6,-.66,;-4.93,-1.43,;-4.93,-2.97,;-3.6,-3.74,;-2.27,-2.97,;-.78,-3.37,;.06,-2.08,;1.6,-2.08,;2.37,-3.41,;2.37,-.74,;3.91,-.74,;4.82,.5,;6.28,.03,;6.28,-1.51,;4.82,-1.99,;7.53,-2.42,;7.53,-3.96,;8.93,-1.79,;8.93,-.25,;-.93,-.66,;-.93,.88,;-2.27,1.65,;-2.27,3.19,;-2.27,-1.43,)|
Cc1cc(Oc2ccccc2)c(F)cc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCOC4)c([nH]c1=O)c23 |r,wU:26.27,(-.63,4.35,;-1.96,3.58,;-3.29,4.35,;-4.63,3.58,;-5.96,4.35,;-7.3,3.58,;-8.63,4.35,;-9.96,3.58,;-9.96,2.04,;-8.63,1.27,;-7.3,2.04,;-4.63,2.04,;-5.96,1.27,;-3.29,1.27,;-1.96,2.04,;-.63,1.27,;-.63,-.27,;-1.96,-1.04,;-1.96,-2.58,;-.63,-3.35,;.71,-2.58,;2.19,-2.98,;3.03,-1.68,;4.57,-1.68,;5.34,-.35,;5.34,-3.02,;6.88,-3.02,;7.65,-4.35,;9.19,-4.35,;9.96,-3.02,;9.19,-1.68,;7.65,-1.68,;2.04,-.27,;2.04,1.27,;.71,2.04,;.71,3.58,;.71,-1.04,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccn5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.96,-.35,;9.19,-1.68,;9.96,-3.02,;9.19,-4.35,;7.65,-4.35,;6.88,-3.02,;7.65,-1.68,;5.34,-3.02,;4.57,-1.68,;5.34,-.35,;3.03,-1.68,;2.19,-2.98,;.71,-2.58,;-.63,-3.35,;-1.96,-2.58,;-1.96,-1.04,;-.63,-.27,;-.63,1.27,;-1.96,2.04,;-3.29,1.27,;-4.63,2.04,;-4.63,3.58,;-5.96,4.35,;-7.3,3.58,;-8.63,4.35,;-9.96,3.58,;-9.96,2.04,;-8.63,1.27,;-7.3,2.04,;-3.29,4.35,;-1.96,3.58,;-.63,4.35,;.71,2.04,;.71,3.58,;2.04,1.27,;2.04,-.27,;.71,-1.04,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCOC4)c([nH]c1=O)c23 |r,wU:25.26,(-.63,4.35,;-1.96,3.58,;-3.29,4.35,;-4.63,3.58,;-5.96,4.35,;-7.3,3.58,;-8.63,4.35,;-9.96,3.58,;-9.96,2.04,;-8.63,1.27,;-7.3,2.04,;-4.63,2.04,;-3.29,1.27,;-1.96,2.04,;-.63,1.27,;-.63,-.27,;-1.96,-1.04,;-1.96,-2.58,;-.63,-3.35,;.71,-2.58,;2.19,-2.98,;3.03,-1.68,;4.57,-1.68,;5.34,-.35,;5.34,-3.02,;6.88,-3.02,;7.65,-4.35,;9.19,-4.35,;9.96,-3.02,;9.19,-1.68,;7.65,-1.68,;2.04,-.27,;2.04,1.27,;.71,2.04,;.71,3.58,;.71,-1.04,)|
Cc1cc(Oc2ccccc2)c(F)cc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCOC4)c([nH]c1=O)c23 |r,wD:26.27,(-.63,4.35,;-1.96,3.58,;-3.29,4.35,;-4.63,3.58,;-5.96,4.35,;-7.3,3.58,;-8.63,4.35,;-9.96,3.58,;-9.96,2.04,;-8.63,1.27,;-7.3,2.04,;-4.63,2.04,;-5.96,1.27,;-3.29,1.27,;-1.96,2.04,;-.63,1.27,;-.63,-.27,;-1.96,-1.04,;-1.96,-2.58,;-.63,-3.35,;.71,-2.58,;2.19,-2.98,;3.03,-1.68,;4.57,-1.68,;5.34,-.35,;5.34,-3.02,;6.88,-3.02,;7.65,-4.35,;9.19,-4.35,;9.96,-3.02,;9.19,-1.68,;7.65,-1.68,;2.04,-.27,;2.04,1.27,;.71,2.04,;.71,3.58,;.71,-1.04,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCCN(Cc5ccccc5)C4=O)c([nH]c1=O)c23 |r,wU:25.26,(-2.71,4.95,;-4.05,4.18,;-5.38,4.95,;-6.71,4.18,;-8.05,4.95,;-9.38,4.18,;-10.71,4.95,;-12.05,4.18,;-12.05,2.64,;-10.71,1.87,;-9.38,2.64,;-6.71,2.64,;-5.38,1.87,;-4.05,2.64,;-2.71,1.87,;-2.71,.33,;-4.05,-.44,;-4.05,-1.98,;-2.71,-2.75,;-1.38,-1.98,;.11,-2.38,;.95,-1.09,;2.49,-1.09,;3.26,-2.42,;3.26,.24,;4.8,.24,;5.36,1.68,;6.83,2.13,;8.1,1.26,;8.22,-.27,;7.09,-1.32,;7.54,-2.79,;9.05,-3.13,;9.5,-4.6,;11,-4.95,;12.05,-3.82,;11.59,-2.35,;10.09,-2,;5.57,-1.09,;4.7,-2.36,;-.05,.33,;-.05,1.87,;-1.38,2.64,;-1.38,4.18,;-1.38,-.44,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC[C@@H]4CCCCN4)c([nH]c1=O)c23 |r,wD:26.27,(-.63,3.85,;-1.96,3.08,;-3.29,3.85,;-4.63,3.08,;-5.96,3.85,;-7.3,3.08,;-8.63,3.85,;-9.96,3.08,;-9.96,1.54,;-8.63,.77,;-7.3,1.54,;-4.63,1.54,;-3.29,.77,;-1.96,1.54,;-.63,.77,;-.63,-.77,;-1.96,-1.54,;-1.96,-3.08,;-.63,-3.85,;.71,-3.08,;2.19,-3.48,;3.03,-2.19,;4.57,-2.19,;5.34,-3.52,;5.34,-.85,;6.88,-.85,;7.65,.48,;6.88,1.81,;7.65,3.15,;9.19,3.15,;9.96,1.81,;9.19,.48,;2.04,-.77,;2.04,.77,;.71,1.54,;.71,3.08,;.71,-1.54,)|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nn4)c(=O)[nH]c1c23 |r|
CO[C@H]1C[C@H](CN(C)C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:4.9,2.1,(9.19,3.15,;9.96,1.81,;9.19,.48,;7.65,.48,;6.88,-.85,;7.65,-2.19,;9.19,-2.19,;9.96,-3.52,;9.96,-.85,;5.34,-.85,;4.57,-2.19,;5.34,-3.52,;3.03,-2.19,;2.19,-3.48,;.71,-3.08,;-.63,-3.85,;-1.96,-3.08,;-1.96,-1.54,;-.63,-.77,;-.63,.77,;-1.96,1.54,;-3.29,.77,;-4.63,1.54,;-4.63,3.08,;-5.96,3.85,;-7.3,3.08,;-8.63,3.85,;-9.96,3.08,;-9.96,1.54,;-8.63,.77,;-7.3,1.54,;-3.29,3.85,;-1.96,3.08,;-.63,3.85,;.71,1.54,;.71,3.08,;2.04,.77,;2.04,-.77,;.71,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C/C4CC4)\C(F)(F)F)c([nH]c1=O)c23 |r,wU:25.26,(-2.55,2.76,;-3.89,1.99,;-5.22,2.76,;-6.55,1.99,;-7.89,2.76,;-9.22,1.99,;-10.55,2.76,;-11.89,1.99,;-11.89,.45,;-10.55,-.32,;-9.22,.45,;-6.55,.45,;-5.22,-.32,;-3.89,.45,;-2.55,-.32,;-2.55,-1.86,;-3.89,-2.63,;-3.89,-4.17,;-2.55,-4.94,;-1.22,-4.17,;.27,-4.56,;1.11,-3.27,;2.65,-3.27,;3.42,-4.61,;3.42,-1.94,;4.96,-1.94,;5.73,-3.27,;7.27,-3.27,;8.04,-1.94,;7.27,-.61,;5.73,-.61,;8.04,.73,;7.27,2.06,;9.58,.73,;10.35,2.06,;9.58,3.4,;9.58,4.94,;8.24,4.17,;10.35,-.61,;9.58,-1.94,;11.89,-.61,;11.44,-1.69,;.12,-1.86,;.12,-.32,;-1.22,.45,;-1.22,1.99,;-1.22,-2.63,)|
Cc1ccccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:18.18,(-4.23,3.85,;-5.56,3.08,;-6.9,3.85,;-8.23,3.08,;-8.23,1.54,;-6.9,.77,;-5.56,1.54,;-4.23,.77,;-4.23,-.77,;-5.56,-1.54,;-5.56,-3.08,;-4.23,-3.85,;-2.9,-3.08,;-1.41,-3.48,;-.57,-2.19,;.97,-2.19,;1.74,-3.52,;1.74,-.85,;3.28,-.85,;4.19,-2.1,;5.65,-1.62,;5.65,-.08,;4.19,.39,;6.9,.82,;6.9,2.36,;8.23,.05,;8.23,-1.49,;-1.56,-.77,;-1.56,.77,;-2.9,1.54,;-2.9,3.08,;-2.9,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NCC(=O)N4CCOCC4)c([nH]c1=O)c23 |(-2.03,5.18,;-3.12,4.09,;-4.45,4.86,;-5.78,4.09,;-7.12,4.86,;-8.45,4.09,;-9.78,4.86,;-11.12,4.09,;-11.12,2.55,;-9.78,1.78,;-8.45,2.55,;-5.78,2.55,;-4.45,1.78,;-3.12,2.55,;-1.78,1.78,;-1.78,.24,;-3.12,-.53,;-3.12,-2.07,;-1.78,-2.84,;-.45,-2.07,;1.04,-2.47,;1.88,-1.18,;3.42,-1.18,;4.19,.16,;4.19,-2.51,;5.73,-2.51,;6.5,-3.84,;5.73,-5.18,;8.04,-3.84,;8.81,-5.18,;10.35,-5.18,;11.12,-3.84,;10.35,-2.51,;8.81,-2.51,;.89,.24,;.89,1.78,;-.45,2.55,;-.45,4.09,;-.45,-.53,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4c(C)cc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:5.7,(9.96,-3.52,;9.19,-2.19,;9.96,-.85,;9.19,.48,;7.65,.48,;6.88,-.85,;7.65,-2.19,;5.34,-.85,;4.57,-2.19,;5.34,-3.52,;3.03,-2.19,;2.19,-3.48,;.71,-3.08,;-.63,-3.85,;-1.96,-3.08,;-1.96,-1.54,;-.63,-.77,;-.63,.77,;-1.96,1.54,;-1.96,3.08,;-.63,3.85,;-3.29,3.85,;-4.63,3.08,;-5.96,3.85,;-7.3,3.08,;-8.63,3.85,;-9.96,3.08,;-9.96,1.54,;-8.63,.77,;-7.3,1.54,;-4.63,1.54,;-3.29,.77,;-3.29,-.77,;.71,1.54,;.71,3.08,;2.04,.77,;2.04,-.77,;.71,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CCO)c([nH]c1=O)c23 |r,wD:25.26,(-5.07,-1.23,;-5.47,.25,;-6.96,.65,;-7.35,2.14,;-8.84,2.54,;-9.93,1.45,;-11.42,1.85,;-12.51,.76,;-12.11,-.73,;-10.62,-1.13,;-9.53,-.04,;-6.26,3.23,;-4.78,2.83,;-4.38,1.34,;-2.89,.94,;-2.49,-.54,;-3.58,-1.63,;-3.18,-3.12,;-1.7,-3.52,;-.61,-2.43,;.93,-2.43,;1.41,-.97,;2.89,-.54,;4,-1.61,;3.26,.95,;4.74,1.38,;5.11,2.87,;6.59,3.3,;7.7,2.23,;7.33,.73,;5.85,.31,;8.44,-.34,;8.07,-1.83,;9.92,.09,;11.03,-.98,;12.51,-.56,;.08,.15,;-.31,1.63,;-1.8,2.03,;-2.2,3.52,;-1.01,-.94,)|
CCN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5C(C)C)cc4C)c(=O)[nH]c1c23 |r,wU:6.8,(9.19,-.17,;9.96,-1.51,;9.19,-2.84,;9.96,-4.17,;9.19,-5.51,;7.65,-5.51,;6.88,-4.17,;7.65,-2.84,;5.34,-4.17,;4.57,-2.84,;5.34,-1.51,;3.03,-2.84,;2.19,-4.13,;.71,-3.73,;-.63,-4.5,;-1.96,-3.73,;-1.96,-2.19,;-.63,-1.42,;-.63,.12,;-1.96,.89,;-3.29,.12,;-4.63,.89,;-4.63,2.43,;-5.96,3.2,;-7.3,2.43,;-7.3,.89,;-8.63,.12,;-9.96,.89,;-9.96,2.43,;-8.63,3.2,;-8.63,4.74,;-7.3,5.51,;-9.96,5.51,;-3.29,3.2,;-1.96,2.43,;-.87,3.52,;.71,.89,;.71,2.43,;2.04,.12,;2.04,-1.42,;.71,-2.19,)|
Clc1ccc2OCOc2c1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:21.22,(-3.88,4.35,;-5.21,3.58,;-6.54,4.35,;-7.88,3.58,;-7.88,2.04,;-9.02,1.01,;-8.4,-.4,;-6.86,-.23,;-6.54,1.27,;-5.21,2.04,;-3.88,1.27,;-3.88,-.27,;-5.21,-1.04,;-5.21,-2.58,;-3.88,-3.35,;-2.54,-2.58,;-1.06,-2.98,;-.22,-1.68,;1.32,-1.68,;2.09,-3.02,;2.09,-.35,;3.63,-.35,;4.4,.98,;5.94,.98,;6.71,-.35,;5.94,-1.68,;4.4,-1.68,;6.71,-3.02,;5.94,-4.35,;8.25,-3.02,;9.02,-4.35,;-1.21,-.27,;-1.21,1.27,;-2.54,2.04,;-2.54,3.58,;-2.54,-1.04,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC5CC5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.4,1.81,;8.63,.48,;9.4,-.85,;8.63,-2.19,;7.09,-2.19,;6.32,-.85,;7.09,.48,;4.78,-.85,;4.01,-2.19,;4.78,-3.52,;2.47,-2.19,;1.63,-3.48,;.14,-3.08,;-1.19,-3.85,;-2.52,-3.08,;-2.52,-1.54,;-1.19,-.77,;-1.19,.77,;-2.52,1.54,;-3.86,.77,;-5.19,1.54,;-5.19,3.08,;-6.53,3.85,;-7.86,3.08,;-9.4,3.08,;-8.63,1.75,;-3.86,3.85,;-2.52,3.08,;-1.19,3.85,;.14,1.54,;.14,3.08,;1.48,.77,;1.48,-.77,;.14,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCOC4)c([nH]c1=O)c23 |r,wD:25.26,(-.27,4.31,;-1.61,3.54,;-2.94,4.31,;-4.27,3.54,;-5.61,4.31,;-6.94,3.54,;-8.27,4.31,;-9.61,3.54,;-9.61,2,;-8.27,1.23,;-6.94,2,;-4.27,2,;-2.94,1.23,;-1.61,2,;-.27,1.23,;-.27,-.31,;-1.61,-1.08,;-1.61,-2.62,;-.27,-3.39,;1.06,-2.62,;2.55,-3.02,;3.39,-1.73,;4.93,-1.73,;5.7,-.39,;5.7,-3.06,;7.24,-3.06,;8.14,-4.31,;9.61,-3.83,;9.61,-2.29,;8.14,-1.82,;2.4,-.31,;2.4,1.23,;1.06,2,;1.06,3.54,;1.06,-1.08,)|
FC(F)(F)c1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:28.29,(-2.93,6.16,;-2.16,4.83,;-.67,5.23,;-1.76,6.32,;-2.93,3.5,;-4.27,4.27,;-5.6,3.5,;-6.93,4.27,;-8.27,3.5,;-9.6,4.27,;-10.93,3.5,;-10.93,1.96,;-9.6,1.19,;-8.27,1.96,;-5.6,1.96,;-4.27,1.19,;-2.93,1.96,;-1.6,1.19,;-1.6,-.35,;-2.93,-1.12,;-2.93,-2.66,;-1.6,-3.43,;-.26,-2.66,;1.22,-3.06,;2.06,-1.77,;3.6,-1.77,;4.37,-.44,;4.37,-3.1,;5.91,-3.1,;6.82,-1.86,;8.28,-2.33,;8.28,-3.87,;6.82,-4.35,;9.53,-4.78,;9.53,-6.32,;10.93,-4.15,;10.93,-2.61,;1.07,-.35,;1.07,1.19,;-.26,1.96,;-.26,3.5,;-.26,-1.12,)|
CCC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.9,(11.6,.97,;10.27,.2,;8.86,.82,;8.86,2.36,;7.61,-.08,;7.61,-1.62,;6.15,-2.1,;5.24,-.85,;6.15,.39,;3.7,-.85,;2.93,-2.19,;3.7,-3.52,;1.39,-2.19,;.56,-3.48,;-.93,-3.08,;-2.27,-3.85,;-3.6,-3.08,;-3.6,-1.54,;-2.27,-.77,;-2.27,.77,;-3.6,1.54,;-4.93,.77,;-6.27,1.54,;-6.27,3.08,;-7.6,3.85,;-8.93,3.08,;-10.27,3.85,;-11.6,3.08,;-11.6,1.54,;-10.27,.77,;-8.93,1.54,;-4.93,3.85,;-3.6,3.08,;-2.27,3.85,;-.93,1.54,;-.93,3.08,;.4,.77,;.4,-.77,;-.93,-1.54,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5C(N)=O)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.96,-1.51,;9.19,-2.84,;9.96,-4.17,;9.19,-5.51,;7.65,-5.51,;6.88,-4.17,;7.65,-2.84,;5.34,-4.17,;4.57,-2.84,;5.34,-1.51,;3.03,-2.84,;2.19,-4.13,;.71,-3.73,;-.63,-4.5,;-1.96,-3.73,;-1.96,-2.19,;-.63,-1.42,;-.63,.12,;-1.96,.89,;-3.29,.12,;-4.63,.89,;-4.63,2.43,;-5.96,3.2,;-7.3,2.43,;-7.3,.89,;-8.63,.12,;-9.96,.89,;-9.96,2.43,;-8.63,3.2,;-8.63,4.74,;-9.96,5.51,;-7.3,5.51,;-3.29,3.2,;-1.96,2.43,;-.63,3.2,;.71,.89,;.71,2.43,;2.04,.12,;2.04,-1.42,;.71,-2.19,)|
Cc1cnc2sc(C(=O)N[C@@H]3CCCNC3)c3[nH]c(=O)n(-c4ccc(Oc5ccccc5)cc4)c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C#N)c([nH]c1=O)c23 |r,wD:25.26,(-1.01,4.35,;-2.35,3.58,;-3.68,4.35,;-5.01,3.58,;-6.35,4.35,;-7.68,3.58,;-9.01,4.35,;-10.35,3.58,;-10.35,2.04,;-9.01,1.27,;-7.68,2.04,;-5.01,2.04,;-3.68,1.27,;-2.35,2.04,;-1.01,1.27,;-1.01,-.27,;-2.35,-1.04,;-2.35,-2.58,;-1.01,-3.35,;.32,-2.58,;1.81,-2.98,;2.65,-1.68,;4.19,-1.68,;4.96,-3.02,;4.96,-.35,;6.5,-.35,;7.27,.98,;8.81,.98,;9.58,-.35,;8.81,-1.68,;7.27,-1.68,;9.58,-3.02,;10.35,-4.35,;1.66,-.27,;1.66,1.27,;.32,2.04,;.32,3.58,;.32,-1.04,)|
Clc1cc(Cl)cc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CN([C@@H]1CCNC1)C(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:2.1,(4.93,-4.35,;5.7,-3.02,;7.24,-3.02,;8.14,-1.77,;9.61,-2.25,;9.61,-3.79,;8.14,-4.26,;4.93,-1.68,;5.7,-.35,;3.39,-1.68,;2.55,-2.98,;1.06,-2.58,;-.27,-3.35,;-1.61,-2.58,;-1.61,-1.04,;-.27,-.27,;-.27,1.27,;-1.61,2.04,;-2.94,1.27,;-4.27,2.04,;-4.27,3.58,;-5.61,4.35,;-6.94,3.58,;-8.27,4.35,;-9.61,3.58,;-9.61,2.04,;-8.27,1.27,;-6.94,2.04,;-2.94,4.35,;-1.61,3.58,;-.27,4.35,;1.06,2.04,;1.06,3.58,;2.4,1.27,;2.4,-.27,;1.06,-1.04,)|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C)C4)c([nH]c1=O)c23 |r,wU:22.22,(-7.96,1.54,;-7.96,3.08,;-9.3,3.85,;-6.63,3.85,;-5.29,3.08,;-5.29,1.54,;-3.96,.77,;-2.63,1.54,;-2.63,3.08,;-1.29,3.85,;-3.96,3.85,;-1.29,.77,;-1.29,-.77,;-2.63,-1.54,;-2.63,-3.08,;-1.29,-3.85,;.04,-3.08,;1.53,-3.48,;2.37,-2.19,;3.91,-2.19,;4.68,-3.52,;4.68,-.85,;6.22,-.85,;6.99,-2.19,;8.53,-2.19,;9.3,-.85,;8.53,.48,;9.3,1.81,;6.99,.48,;1.37,-.77,;1.37,.77,;.04,1.54,;.04,3.08,;.04,-1.54,)|
CCOc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C)C4)c([nH]c1=O)c23 |r,wU:21.21,(-9.3,4.35,;-7.96,3.58,;-6.63,4.35,;-5.29,3.58,;-5.29,2.04,;-3.96,1.27,;-2.63,2.04,;-2.63,3.58,;-1.29,4.35,;-3.96,4.35,;-1.29,1.27,;-1.29,-.27,;-2.63,-1.04,;-2.63,-2.58,;-1.29,-3.35,;.04,-2.58,;1.53,-2.98,;2.37,-1.68,;3.91,-1.68,;4.68,-.35,;4.68,-3.02,;6.22,-3.02,;6.99,-4.35,;8.53,-4.35,;9.3,-3.02,;8.53,-1.68,;9.3,-.35,;6.99,-1.68,;1.37,-.27,;1.37,1.27,;.04,2.04,;.04,3.58,;.04,-1.04,)|
CC(C)(C)c1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Clc1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccccc4)c(=O)[nH]c1c23 |r|
CN([C@@H]1CCN(C)C1)C(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:2.1,(4.31,-4.18,;5.08,-2.85,;6.62,-2.85,;7.52,-1.6,;8.98,-2.08,;8.98,-3.62,;10.23,-4.52,;7.52,-4.09,;4.3,-1.51,;5.08,-.18,;2.76,-1.51,;1.93,-2.81,;.44,-2.41,;-.89,-3.18,;-2.23,-2.41,;-2.23,-.87,;-.89,-.1,;-.89,1.44,;-2.23,2.21,;-3.56,1.44,;-4.9,2.21,;-4.9,3.75,;-6.23,4.52,;-7.56,3.75,;-8.9,4.52,;-10.23,3.75,;-10.23,2.21,;-8.9,1.44,;-7.56,2.21,;-3.56,4.52,;-2.23,3.75,;-.89,4.52,;.44,2.21,;.44,3.75,;1.77,1.44,;1.77,-.1,;.44,-.87,)|
CN1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(10.02,-3.72,;9.13,-2.19,;9.9,-.85,;9.13,.48,;7.59,.48,;6.82,-.85,;7.59,-2.19,;5.28,-.85,;4.51,-2.19,;5.28,-3.52,;2.97,-2.19,;2.14,-3.48,;.65,-3.08,;-.69,-3.85,;-2.02,-3.08,;-2.02,-1.54,;-.69,-.77,;-.69,.77,;-2.02,1.54,;-3.35,.77,;-4.69,1.54,;-4.69,3.08,;-6.02,3.85,;-7.35,3.08,;-8.69,3.85,;-10.02,3.08,;-10.02,1.54,;-8.69,.77,;-7.35,1.54,;-3.35,3.85,;-2.02,3.08,;-.69,3.85,;.65,1.54,;.65,3.08,;1.98,.77,;1.98,-.77,;.65,-1.54,)|
COc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C)C4)c([nH]c1=O)c23 |r,wU:20.20,(-8.63,3.08,;-7.3,3.85,;-5.96,3.08,;-5.96,1.54,;-4.63,.77,;-3.29,1.54,;-3.29,3.08,;-1.96,3.85,;-4.63,3.85,;-1.96,.77,;-1.96,-.77,;-3.29,-1.54,;-3.29,-3.08,;-1.96,-3.85,;-.63,-3.08,;.86,-3.48,;1.7,-2.19,;3.24,-2.19,;4.01,-3.52,;4.01,-.85,;5.55,-.85,;6.32,-2.19,;7.86,-2.19,;8.63,-.85,;7.86,.48,;8.63,1.81,;6.32,.48,;.71,-.77,;.71,.77,;-.63,1.54,;-.63,3.08,;-.63,-1.54,)|
FC(F)(F)c1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
COc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC5CCOCC5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.96,-.35,;9.19,-1.68,;9.96,-3.02,;9.19,-4.35,;7.65,-4.35,;6.88,-3.02,;7.65,-1.68,;5.34,-3.02,;4.57,-1.68,;5.34,-.35,;3.03,-1.68,;2.19,-2.98,;.71,-2.58,;-.63,-3.35,;-1.96,-2.58,;-1.96,-1.04,;-.63,-.27,;-.63,1.27,;-1.96,2.04,;-3.29,1.27,;-4.63,2.04,;-4.63,3.58,;-5.96,4.35,;-7.3,3.58,;-8.63,4.35,;-9.96,3.58,;-9.96,2.04,;-8.63,1.27,;-7.3,2.04,;-3.29,4.35,;-1.96,3.58,;-.63,4.35,;.71,2.04,;.71,3.58,;2.04,1.27,;2.04,-.27,;.71,-1.04,)|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccc(cc4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:8.10,(9.19,-5.02,;8.42,-3.69,;9.19,-2.35,;10.73,-2.35,;8.42,-1.02,;9.19,.32,;8.42,1.65,;6.88,1.65,;6.11,.32,;6.88,-1.02,;4.57,.32,;3.8,-1.02,;4.57,-2.35,;2.26,-1.02,;1.42,-2.31,;-.06,-1.91,;-1.4,-2.68,;-2.73,-1.91,;-2.73,-.37,;-1.4,.4,;-1.4,1.94,;-2.73,2.71,;-4.06,1.94,;-5.4,2.71,;-5.4,4.25,;-6.73,5.02,;-8.07,4.25,;-9.4,5.02,;-10.73,4.25,;-10.73,2.71,;-9.4,1.94,;-8.07,2.71,;-4.06,5.02,;-2.73,4.25,;-1.4,5.02,;-.06,2.71,;-.06,4.25,;1.27,1.94,;1.27,.4,;-.06,-.37,)|
Clc1ccc(cc1Cl)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
FC(F)(F)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccccc4)c(=O)[nH]c1c23 |r|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C(F)(F)F)c(=O)[nH]c1c23 |r,wD:5.7,(10.16,-5.77,;9.39,-4.44,;10.16,-3.1,;9.39,-1.77,;7.85,-1.77,;7.08,-3.1,;7.85,-4.44,;5.54,-3.1,;4.77,-1.77,;5.54,-.44,;3.23,-1.77,;1.85,-3.47,;.51,-2.7,;-.82,-3.47,;-2.16,-2.7,;-2.16,-1.16,;-.82,-.39,;-.82,1.15,;-2.16,1.92,;-3.49,1.15,;-4.82,1.92,;-4.82,3.46,;-6.16,4.23,;-7.49,3.46,;-8.82,4.23,;-10.16,3.46,;-10.16,1.92,;-8.82,1.15,;-7.49,1.92,;-3.49,4.23,;-2.16,3.46,;-.82,4.23,;-.82,5.77,;.27,5.32,;.72,4.23,;.51,1.92,;.51,3.46,;1.85,1.15,;1.85,-.39,;.51,-1.16,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4nnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:5.7,(10.16,-3.49,;9.39,-2.15,;10.16,-.82,;9.39,.51,;7.85,.51,;7.08,-.82,;7.85,-2.15,;5.54,-.82,;4.77,-2.15,;5.54,-3.49,;3.23,-2.15,;1.85,-3.85,;.51,-3.08,;-.82,-3.85,;-2.16,-3.08,;-2.16,-1.54,;-.82,-.77,;-.82,.77,;-2.16,1.54,;-3.49,.77,;-4.82,1.54,;-4.82,3.08,;-6.16,3.85,;-7.49,3.08,;-8.82,3.85,;-10.16,3.08,;-10.16,1.54,;-8.82,.77,;-7.49,1.54,;-3.49,3.85,;-2.16,3.08,;-.82,3.85,;.51,1.54,;.51,3.08,;1.85,.77,;1.85,-.77,;.51,-1.54,)|
Cc1cc(Oc2ccccc2)nnc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.8,4.29,;-3.13,3.52,;-4.47,4.29,;-5.8,3.52,;-7.14,4.29,;-8.47,3.52,;-9.8,4.29,;-11.14,3.52,;-11.14,1.98,;-9.8,1.21,;-8.47,1.98,;-5.8,1.98,;-4.47,1.21,;-3.13,1.98,;-1.8,1.21,;-1.8,-.33,;-3.13,-1.1,;-3.13,-2.64,;-1.8,-3.41,;-.47,-2.64,;.87,-3.41,;2.25,-1.71,;3.79,-1.71,;4.56,-.38,;4.56,-3.05,;6.1,-3.05,;7,-4.29,;8.47,-3.82,;8.47,-2.28,;7,-1.8,;9.8,-1.51,;9.8,.03,;11.14,-2.28,;11.14,-3.82,;.87,-.33,;.87,1.21,;-.47,1.98,;-.47,3.52,;-.47,-1.1,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccccc4C)c(=O)[nH]c1c23 |r,wU:5.7,(7.49,1.85,;6.72,.51,;7.49,-.82,;6.72,-2.15,;5.18,-2.15,;4.41,-.82,;5.18,.51,;2.87,-.82,;2.1,-2.15,;2.87,-3.49,;.56,-2.15,;-.82,-3.85,;-2.16,-3.08,;-3.49,-3.85,;-4.82,-3.08,;-4.82,-1.54,;-3.49,-.77,;-3.49,.77,;-4.82,1.54,;-6.16,.77,;-7.49,1.54,;-7.49,3.08,;-6.16,3.85,;-4.82,3.08,;-3.49,3.85,;-2.16,1.54,;-2.16,3.08,;-.82,.77,;-.82,-.77,;-2.16,-1.54,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4c5OCOc5ccc4Cl)c(=O)[nH]c1c23 |r,wU:5.7,(7.49,-1.17,;6.72,-2.5,;7.49,-3.84,;6.72,-5.17,;5.18,-5.17,;4.41,-3.84,;5.18,-2.5,;2.87,-3.84,;2.1,-2.5,;2.87,-1.17,;.56,-2.5,;-.82,-4.2,;-2.16,-3.43,;-3.49,-4.2,;-4.82,-3.43,;-4.82,-1.89,;-3.49,-1.12,;-3.49,.42,;-4.82,1.19,;-4.82,2.73,;-3.68,3.76,;-4.31,5.17,;-5.84,5.01,;-6.16,3.5,;-7.49,2.73,;-7.49,1.19,;-6.16,.42,;-6.16,-1.12,;-2.16,1.19,;-2.16,2.73,;-.82,.42,;-.82,-1.12,;-2.16,-1.89,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccncc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(10.16,-.33,;9.39,-1.67,;10.16,-3,;9.39,-4.33,;7.85,-4.33,;7.08,-3,;7.85,-1.67,;5.54,-3,;4.77,-1.67,;5.54,-.33,;3.23,-1.67,;1.85,-3.37,;.51,-2.6,;-.82,-3.37,;-2.16,-2.6,;-2.16,-1.05,;-.82,-.29,;-.82,1.25,;-2.16,2.03,;-3.49,1.25,;-4.82,2.03,;-4.82,3.57,;-6.16,4.33,;-7.49,3.57,;-8.82,4.33,;-10.16,3.57,;-10.16,2.03,;-8.82,1.25,;-7.49,2.03,;-3.49,4.33,;-2.16,3.57,;-.82,4.33,;.51,2.03,;.51,3.57,;1.85,1.25,;1.85,-.29,;.51,-1.05,)|
CN(C)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CC(C)n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1ncccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:18.18,(-4.64,3.85,;-5.98,3.08,;-7.31,3.85,;-8.65,3.08,;-8.65,1.54,;-7.31,.77,;-5.98,1.54,;-4.64,.77,;-4.64,-.77,;-5.98,-1.54,;-5.98,-3.08,;-4.64,-3.85,;-3.31,-3.08,;-1.98,-3.85,;-.59,-2.15,;.95,-2.15,;1.72,-3.49,;1.72,-.82,;3.26,-.82,;4.03,-2.15,;5.57,-2.15,;6.34,-.82,;5.57,.51,;4.03,.51,;6.34,1.85,;5.57,3.18,;7.88,1.85,;8.65,3.18,;-1.98,-.77,;-1.98,.77,;-3.31,1.54,;-3.31,3.08,;-3.31,-1.54,)|
Cc1ncccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wU:18.18,(-3.49,3.85,;-4.82,3.08,;-6.16,3.85,;-7.49,3.08,;-7.49,1.54,;-6.16,.77,;-4.82,1.54,;-3.49,.77,;-3.49,-.77,;-4.82,-1.54,;-4.82,-3.08,;-3.49,-3.85,;-2.16,-3.08,;-.82,-3.85,;.56,-2.15,;2.1,-2.15,;2.87,-3.49,;2.87,-.82,;4.41,-.82,;5.18,-2.15,;6.72,-2.15,;7.49,-.82,;6.72,.51,;5.18,.51,;-.82,-.77,;-.82,.77,;-2.16,1.54,;-2.16,3.08,;-2.16,-1.54,)|
Clc1ccc(cc1Cl)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
CC(C)n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
FC(F)(F)c1cc(ccc1Cl)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
COC(C)(C)CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:12.14,(12.3,-5.08,;11.53,-3.75,;9.99,-3.75,;10.76,-2.41,;9.21,-5.08,;9.21,-2.41,;7.67,-2.41,;6.9,-3.75,;6.9,-1.08,;7.67,.25,;6.9,1.59,;5.36,1.59,;4.59,.25,;5.36,-1.08,;3.05,.25,;2.28,-1.08,;3.05,-2.41,;.74,-1.08,;-.16,-2.32,;-1.63,-1.85,;-2.96,-2.62,;-4.29,-1.85,;-4.29,-.31,;-2.96,.46,;-2.96,2,;-4.29,2.77,;-5.63,2,;-6.96,2.77,;-6.96,4.31,;-8.29,5.08,;-9.63,4.31,;-10.96,5.08,;-12.3,4.31,;-12.3,2.77,;-10.96,2,;-9.63,2.77,;-5.63,5.08,;-4.29,4.31,;-2.96,5.08,;-1.63,2.77,;-1.63,4.31,;-.29,2,;-.29,.46,;-1.63,-.31,)|
CC(=O)N\C=C/C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:12.14,(11.91,.92,;10.37,.92,;9.6,2.26,;9.6,-.41,;10.37,-1.75,;9.6,-3.08,;8.06,-3.08,;7.29,-4.41,;7.29,-1.75,;8.06,-.41,;7.29,.92,;5.75,.92,;4.98,-.41,;5.75,-1.75,;3.44,-.41,;2.67,-1.75,;3.44,-3.08,;1.13,-1.75,;.22,-2.99,;-1.24,-2.52,;-2.57,-3.29,;-3.91,-2.52,;-3.91,-.98,;-2.57,-.21,;-2.57,1.33,;-3.91,2.1,;-5.24,1.33,;-6.58,2.1,;-6.58,3.64,;-7.91,4.41,;-9.24,3.64,;-10.58,4.41,;-11.91,3.64,;-11.91,2.1,;-10.58,1.33,;-9.24,2.1,;-5.24,4.41,;-3.91,3.64,;-2.57,4.41,;-1.24,2.1,;-1.24,3.64,;.09,1.33,;.09,-.21,;-1.24,-.98,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-2.93,5.17,;-4.57,4.22,;-5.91,4.99,;-7.24,4.22,;-8.58,4.99,;-9.91,4.22,;-9.91,2.68,;-11.24,1.91,;-12.58,2.68,;-12.58,4.22,;-11.24,4.99,;-7.24,2.68,;-5.91,1.91,;-4.57,2.68,;-3.24,1.91,;-3.24,.37,;-4.57,-.4,;-4.57,-1.94,;-3.24,-2.71,;-1.91,-1.94,;-.44,-2.41,;.46,-1.17,;2,-1.17,;2.77,-2.5,;2.77,.17,;4.31,.17,;5.08,1.5,;6.62,1.5,;7.39,.17,;6.62,-1.17,;5.08,-1.17,;7.39,-2.5,;6.62,-3.84,;8.93,-2.5,;9.7,-1.17,;11.24,-1.17,;12.58,-1.94,;12.58,-.4,;9.7,-3.84,;10.47,-5.17,;-.57,.37,;-.57,1.91,;-1.91,2.68,;-1.91,4.22,;-1.91,-.4,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(Cl)=C)c([nH]c1=O)c23 |r,wU:25.26,(-.88,2.76,;-2.37,2.36,;-3.46,3.45,;-4.94,3.05,;-6.03,4.14,;-7.52,3.74,;-7.92,2.26,;-9.41,1.86,;-10.5,2.95,;-10.1,4.43,;-8.61,4.83,;-5.34,1.57,;-4.25,.48,;-2.77,.88,;-1.68,-.21,;-1.68,-1.75,;-3.01,-2.52,;-3.01,-4.06,;-1.68,-4.83,;-.34,-4.06,;1.12,-4.54,;2.03,-3.29,;3.57,-3.29,;4.34,-4.63,;4.34,-1.96,;5.88,-1.96,;6.65,-3.29,;8.19,-3.29,;8.96,-1.96,;8.19,-.63,;6.65,-.63,;8.96,.71,;10.5,.71,;8.19,2.04,;8.96,3.38,;6.65,2.04,;.99,-1.75,;.99,-.21,;-.34,.56,;-.34,2.1,;-.34,-2.52,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\CN)c([nH]c1=O)c23 |r,wD:25.26,(-2.95,5.77,;-4.28,5,;-5.61,5.77,;-6.95,5,;-8.28,5.77,;-9.61,5,;-9.61,3.46,;-10.95,2.69,;-12.28,3.46,;-12.28,5,;-10.95,5.77,;-6.95,3.46,;-5.61,2.69,;-4.28,3.46,;-2.95,2.69,;-2.95,1.15,;-4.28,.38,;-4.28,-1.16,;-2.95,-1.93,;-1.61,-1.16,;-.15,-1.64,;.76,-.39,;2.3,-.42,;3.09,.9,;3.04,-1.77,;4.58,-1.77,;5.35,-.43,;6.89,-.43,;7.66,-1.77,;6.89,-3.1,;5.35,-3.1,;7.66,-4.43,;6.89,-5.77,;9.2,-4.43,;9.97,-3.1,;11.51,-3.1,;12.28,-1.77,;-.28,1.15,;-.28,2.69,;-1.61,3.46,;-1.61,5,;-1.61,.38,)|
CN(C)C\C=C\C(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:11.13,(12.28,1.62,;10.95,.85,;9.62,1.62,;10.95,-.69,;9.62,-1.46,;9.62,-3,;8.28,-3.77,;8.28,-5.31,;6.95,-3,;6.95,-1.46,;5.49,-.98,;4.58,-2.23,;5.49,-3.47,;3.04,-2.23,;2.29,-.88,;3.09,.44,;.75,-.85,;-.15,-2.1,;-1.62,-1.62,;-2.95,-2.39,;-4.28,-1.62,;-4.28,-.08,;-2.95,.69,;-2.95,2.23,;-4.28,3,;-5.62,2.23,;-6.95,3,;-6.95,4.54,;-8.28,5.31,;-9.62,4.54,;-10.95,5.31,;-12.28,4.54,;-12.28,3,;-10.95,2.23,;-9.62,3,;-5.62,5.31,;-4.28,4.54,;-2.95,5.31,;-1.62,3,;-1.62,4.54,;-.28,2.23,;-.28,.69,;-1.62,-.08,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)S(=O)(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-2.32,5.18,;-3.61,4.43,;-4.95,5.2,;-6.28,4.43,;-7.62,5.2,;-8.95,4.43,;-10.28,5.2,;-11.62,4.43,;-11.62,2.89,;-10.28,2.12,;-8.95,2.89,;-6.28,2.89,;-4.95,2.12,;-3.62,2.89,;-2.28,2.12,;-2.28,.58,;-3.62,-.19,;-3.62,-1.73,;-2.28,-2.5,;-.95,-1.73,;.52,-2.2,;1.42,-.96,;2.96,-.98,;3.75,.34,;3.71,-2.33,;5.25,-2.33,;6.15,-1.08,;7.62,-1.56,;7.62,-3.1,;6.15,-3.58,;8.95,-3.87,;9.72,-2.54,;8.18,-5.2,;10.28,-4.64,;11.62,-3.87,;.39,.58,;.39,2.12,;-.95,2.89,;-.95,4.43,;-.95,-.19,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.21,-.41,;8.44,-1.75,;9.21,-3.08,;8.44,-4.41,;6.9,-4.41,;6.13,-3.08,;6.9,-1.75,;4.59,-3.08,;3.82,-1.75,;4.59,-.41,;2.28,-1.75,;1.38,-2.99,;-.09,-2.52,;-1.42,-3.29,;-2.75,-2.52,;-2.75,-.98,;-1.42,-.21,;-1.42,1.33,;-2.75,2.1,;-4.09,1.33,;-5.42,2.1,;-5.42,3.64,;-6.75,4.41,;-8.09,3.64,;-9.42,4.41,;-10.75,3.64,;-10.75,2.1,;-9.42,1.33,;-8.09,2.1,;-4.09,4.41,;-2.75,3.64,;-1.42,4.41,;-.09,2.1,;-.09,3.64,;1.25,1.33,;1.25,-.21,;-.09,-.98,)|
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:12.14,(13.06,-1.75,;11.52,-1.75,;10.75,-.41,;10.75,-3.08,;9.21,-3.08,;8.44,-4.41,;6.9,-4.41,;6.13,-5.75,;6.13,-3.08,;6.9,-1.75,;6.13,-.41,;4.59,-.41,;3.82,-1.75,;4.59,-3.08,;2.28,-1.75,;1.51,-.41,;2.28,.92,;-.03,-.41,;-.93,-1.66,;-2.4,-1.18,;-3.73,-1.95,;-5.06,-1.18,;-5.06,.36,;-3.73,1.13,;-3.73,2.67,;-5.06,3.44,;-6.4,2.67,;-7.73,3.44,;-7.73,4.98,;-9.06,5.75,;-10.4,4.98,;-11.73,5.75,;-13.06,4.98,;-13.06,3.44,;-11.73,2.67,;-10.4,3.44,;-6.4,5.75,;-5.06,4.98,;-3.73,5.75,;-2.4,3.44,;-2.4,4.98,;-1.06,2.67,;-1.06,1.13,;-2.4,.36,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)S(=O)(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.8,5.75,;-3.14,4.98,;-4.47,5.75,;-5.81,4.98,;-7.14,5.75,;-8.47,4.98,;-9.81,5.75,;-11.14,4.98,;-11.14,3.44,;-9.81,2.67,;-8.47,3.44,;-5.81,3.44,;-4.47,2.67,;-3.14,3.44,;-1.8,2.67,;-1.8,1.13,;-3.14,.36,;-3.14,-1.18,;-1.8,-1.95,;-.47,-1.18,;.99,-1.66,;1.9,-.41,;3.44,-.41,;4.21,.92,;4.21,-1.75,;5.75,-1.75,;6.52,-.41,;8.06,-.41,;8.83,-1.75,;8.06,-3.08,;6.52,-3.08,;8.83,-4.41,;10.16,-3.64,;7.5,-5.18,;9.6,-5.75,;11.14,-5.75,;.86,1.13,;.86,2.67,;-.47,3.44,;-.47,4.98,;-.47,.36,)|
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\CS(C)(=O)=O)c([nH]c1=O)c23 |r,wD:25.26,(-3.73,4.41,;-5.06,3.64,;-6.4,4.41,;-7.73,3.64,;-9.06,4.41,;-10.4,3.64,;-11.73,4.41,;-13.06,3.64,;-13.06,2.1,;-11.73,1.33,;-10.4,2.1,;-7.73,2.1,;-6.4,1.33,;-5.06,2.1,;-3.73,1.33,;-3.73,-.21,;-5.06,-.98,;-5.06,-2.52,;-3.73,-3.29,;-2.4,-2.52,;-.93,-2.99,;-.03,-1.75,;1.51,-1.75,;2.28,-3.08,;2.28,-.41,;3.82,-.41,;4.59,.92,;6.13,.92,;6.9,-.41,;6.13,-1.75,;4.59,-1.75,;6.9,-3.08,;6.13,-4.41,;8.44,-3.08,;9.21,-1.75,;10.75,-1.75,;11.52,-.41,;13.06,-.41,;10.75,.92,;12.29,.92,;-1.06,-.21,;-1.06,1.33,;-2.4,2.1,;-2.4,3.64,;-2.4,-.98,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.19,5,;-2.46,4.23,;-3.79,5,;-5.13,4.23,;-6.46,5,;-7.79,4.23,;-7.79,2.69,;-9.13,1.92,;-10.46,2.69,;-10.46,4.23,;-9.13,5,;-5.13,2.69,;-3.79,1.92,;-2.46,2.69,;-1.12,1.92,;-1.12,.38,;-2.46,-.39,;-2.46,-1.93,;-1.12,-2.7,;.21,-1.93,;1.67,-2.41,;2.58,-1.16,;4.12,-1.19,;4.91,.13,;4.86,-2.54,;6.4,-2.54,;7.17,-1.2,;8.71,-1.2,;9.48,-2.54,;8.71,-3.87,;7.17,-3.87,;9.48,-5.2,;8.71,-6.54,;11.02,-5.2,;11.79,-3.87,;1.54,.38,;1.54,1.92,;.21,2.69,;.21,4.23,;.21,-.39,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1,4.5,;-2.28,3.77,;-3.62,4.54,;-4.95,3.77,;-6.28,4.54,;-7.62,3.77,;-8.95,4.54,;-10.28,3.77,;-10.28,2.23,;-8.95,1.46,;-7.62,2.23,;-4.95,2.23,;-3.62,1.46,;-2.28,2.23,;-.95,1.46,;-.95,-.08,;-2.28,-.85,;-2.28,-2.39,;-.95,-3.16,;.39,-2.39,;1.85,-2.87,;2.76,-1.62,;4.29,-1.65,;5.09,-.33,;5.04,-3,;6.58,-3,;7.49,-1.75,;8.95,-2.23,;8.95,-3.77,;7.49,-4.24,;10.28,-4.54,;10.28,-6.08,;11.62,-3.77,;11.62,-2.23,;1.72,-.08,;1.72,1.46,;.39,2.23,;.39,3.77,;.39,-.85,)|
CNC\C=C\C(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:10.12,(12.28,1.62,;10.95,.85,;10.95,-.69,;9.62,-1.46,;9.62,-3,;8.28,-3.77,;8.28,-5.31,;6.95,-3,;6.95,-1.46,;5.49,-.98,;4.58,-2.23,;5.49,-3.47,;3.04,-2.23,;2.29,-.88,;3.09,.44,;.75,-.85,;-.15,-2.1,;-1.62,-1.62,;-2.95,-2.39,;-4.28,-1.62,;-4.28,-.08,;-2.95,.69,;-2.95,2.23,;-4.28,3,;-5.62,2.23,;-6.95,3,;-6.95,4.54,;-8.28,5.31,;-9.62,4.54,;-10.95,5.31,;-12.28,4.54,;-12.28,3,;-10.95,2.23,;-9.62,3,;-5.62,5.31,;-4.28,4.54,;-2.95,5.31,;-1.62,3,;-1.62,4.54,;-.28,2.23,;-.28,.69,;-1.62,-.08,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-2.56,5.67,;-3.9,4.9,;-5.23,5.67,;-6.56,4.9,;-7.9,5.67,;-9.23,4.9,;-9.23,3.36,;-10.56,2.58,;-11.9,3.36,;-11.9,4.9,;-10.56,5.67,;-6.56,3.36,;-5.23,2.58,;-3.9,3.36,;-2.56,2.58,;-2.56,1.04,;-3.9,.27,;-3.9,-1.27,;-2.56,-2.04,;-1.23,-1.27,;.24,-1.74,;1.14,-.5,;2.68,-.52,;3.48,.8,;3.43,-1.87,;4.97,-1.87,;5.74,-.54,;7.28,-.54,;8.05,-1.87,;7.28,-3.2,;5.74,-3.2,;8.05,-4.54,;7.28,-5.87,;9.59,-4.54,;10.36,-3.2,;11.9,-3.2,;13.23,-3.97,;13.23,-2.43,;10.36,-5.87,;11.13,-7.21,;.11,1.04,;.11,2.58,;-1.23,3.36,;-1.23,4.9,;-1.23,.27,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C#N)c([nH]c1=O)c23 |r,wD:25.26,(-.35,5,;-1.69,4.23,;-3.02,5,;-4.36,4.23,;-5.69,5,;-7.02,4.23,;-7.02,2.69,;-8.36,1.92,;-9.69,2.69,;-9.69,4.23,;-8.36,5,;-4.36,2.69,;-3.02,1.92,;-1.69,2.69,;-.35,1.92,;-.35,.38,;-1.69,-.39,;-1.69,-1.93,;-.35,-2.7,;.98,-1.93,;2.44,-2.41,;3.35,-1.16,;4.89,-1.19,;5.68,.13,;5.63,-2.54,;7.17,-2.54,;7.94,-1.2,;9.48,-1.2,;10.25,-2.54,;9.48,-3.87,;7.94,-3.87,;10.25,-5.2,;11.02,-6.54,;2.31,.38,;2.31,1.92,;.98,2.69,;.98,4.23,;.98,-.39,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:5.7,(9.87,-5.2,;9.1,-3.87,;9.87,-2.54,;9.1,-1.2,;7.56,-1.2,;6.79,-2.54,;7.56,-3.87,;5.25,-2.54,;4.5,-1.19,;5.3,.13,;2.96,-1.16,;2.06,-2.41,;.59,-1.93,;-.74,-2.7,;-2.07,-1.93,;-2.07,-.39,;-.74,.38,;-.74,1.92,;-2.07,2.69,;-3.41,1.92,;-4.74,2.69,;-4.74,4.23,;-6.07,5,;-7.41,4.23,;-7.41,2.69,;-8.74,1.92,;-10.07,2.69,;-10.07,4.23,;-8.74,5,;-3.41,5,;-2.07,4.23,;-.74,5,;.59,2.69,;.59,4.23,;1.93,1.92,;1.93,.38,;.59,-.39,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:5.7,(10.64,-5.87,;9.87,-4.54,;10.64,-3.2,;9.87,-1.87,;8.33,-1.87,;7.56,-3.2,;8.33,-4.54,;6.02,-3.2,;5.27,-1.86,;6.07,-.54,;3.73,-1.83,;2.83,-3.07,;1.36,-2.6,;.03,-3.37,;-1.3,-2.6,;-1.3,-1.06,;.03,-.29,;.03,1.25,;-1.3,2.02,;-2.64,1.25,;-3.97,2.02,;-3.97,3.56,;-5.3,4.33,;-6.64,3.56,;-6.64,2.02,;-7.97,1.25,;-9.31,2.02,;-9.31,3.56,;-7.97,4.33,;-2.64,4.33,;-1.3,3.56,;.34,4.51,;1.36,2.02,;1.36,3.56,;2.7,1.25,;2.7,-.29,;1.36,-1.06,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)\C=C\CN)c([nH]c1=O)c23 |r,wD:25.26,(-2.26,5.32,;-3.62,4.53,;-4.95,5.3,;-6.28,4.53,;-7.62,5.3,;-8.95,4.53,;-10.28,5.3,;-11.62,4.53,;-11.62,2.99,;-10.28,2.22,;-8.95,2.99,;-6.28,2.99,;-4.95,2.22,;-3.62,2.99,;-2.28,2.22,;-2.28,.68,;-3.62,-.09,;-3.62,-1.63,;-2.28,-2.4,;-.95,-1.63,;.52,-2.11,;1.42,-.86,;2.96,-.89,;3.76,.43,;3.71,-2.24,;5.25,-2.24,;6.15,-.99,;7.62,-1.47,;7.62,-3.01,;6.15,-3.48,;8.95,-3.78,;8.95,-5.32,;10.28,-3.01,;10.28,-1.47,;11.62,-.7,;11.62,.84,;.39,.68,;.39,2.22,;-.95,2.99,;-.95,4.53,;-.95,-.09,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\CNS(C)(=O)=O)c([nH]c1=O)c23 |r,wD:25.26,(-4.5,4.41,;-5.83,3.64,;-7.17,4.41,;-8.5,3.64,;-9.83,4.41,;-11.17,3.64,;-12.5,4.41,;-13.84,3.64,;-13.84,2.1,;-12.5,1.33,;-11.17,2.1,;-8.5,2.1,;-7.17,1.33,;-5.83,2.1,;-4.5,1.33,;-4.5,-.21,;-5.83,-.98,;-5.83,-2.52,;-4.5,-3.29,;-3.17,-2.52,;-1.7,-2.99,;-.8,-1.75,;.74,-1.75,;1.51,-3.08,;1.51,-.41,;3.05,-.41,;3.82,.92,;5.36,.92,;6.14,-.41,;5.36,-1.75,;3.82,-1.75,;6.14,-3.08,;5.36,-4.41,;7.68,-3.08,;8.45,-1.75,;9.99,-1.75,;10.76,-.41,;12.3,-.41,;13.07,.92,;13.84,-.41,;12.3,-1.95,;-1.83,-.21,;-1.83,1.33,;-3.17,2.1,;-3.17,3.64,;-3.17,-.98,)|
CN(C)CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:9.11,(10.95,-5.31,;10.95,-3.77,;12.28,-3,;9.62,-3,;8.28,-3.77,;8.28,-5.31,;6.95,-3,;6.95,-1.46,;5.49,-.98,;4.58,-2.23,;5.49,-3.47,;3.04,-2.23,;2.29,-.88,;3.09,.44,;.75,-.85,;-.15,-2.1,;-1.62,-1.62,;-2.95,-2.39,;-4.28,-1.62,;-4.28,-.08,;-2.95,.69,;-2.95,2.23,;-4.28,3,;-5.62,2.23,;-6.95,3,;-6.95,4.54,;-8.28,5.31,;-9.62,4.54,;-10.95,5.31,;-12.28,4.54,;-12.28,3,;-10.95,2.23,;-9.62,3,;-5.62,5.31,;-4.28,4.54,;-2.95,5.31,;-1.62,3,;-1.62,4.54,;-.28,2.23,;-.28,.69,;-1.62,-.08,)|
C\C=C(/C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:11.13,(11.91,-1.08,;10.37,-1.08,;9.6,-2.41,;10.37,-3.75,;11.14,-5.08,;8.06,-2.41,;7.29,-3.75,;7.29,-1.08,;8.06,.25,;7.29,1.59,;5.75,1.59,;4.98,.25,;5.75,-1.08,;3.44,.25,;2.67,-1.08,;3.44,-2.41,;1.13,-1.08,;.22,-2.32,;-1.24,-1.85,;-2.58,-2.62,;-3.91,-1.85,;-3.91,-.31,;-2.58,.46,;-2.58,2,;-3.91,2.77,;-5.24,2,;-6.58,2.77,;-6.58,4.31,;-7.91,5.08,;-9.24,4.31,;-10.58,5.08,;-11.91,4.31,;-11.91,2.77,;-10.58,2,;-9.24,2.77,;-5.24,5.08,;-3.91,4.31,;-2.58,5.08,;-1.24,2.77,;-1.24,4.31,;.09,2,;.09,.46,;-1.24,-.31,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)[C@@H]4CCN4)c([nH]c1=O)c23 |r,wD:25.26,33.35,(-2.51,4.41,;-3.84,3.64,;-5.18,4.41,;-6.51,3.64,;-7.84,4.41,;-9.18,3.64,;-10.51,4.41,;-11.84,3.64,;-11.84,2.1,;-10.51,1.33,;-9.18,2.1,;-6.51,2.1,;-5.18,1.33,;-3.84,2.1,;-2.51,1.33,;-2.51,-.21,;-3.84,-.98,;-3.84,-2.52,;-2.51,-3.29,;-1.18,-2.52,;.29,-2.99,;1.19,-1.75,;2.73,-1.75,;3.5,-3.08,;3.5,-.41,;5.05,-.41,;5.82,.92,;7.36,.92,;8.13,-.41,;7.36,-1.75,;5.82,-1.75,;8.13,-3.08,;7.36,-4.41,;9.67,-3.08,;10.75,-1.99,;11.84,-3.08,;10.75,-4.17,;.16,-.21,;.16,1.33,;-1.18,2.1,;-1.18,3.64,;-1.18,-.98,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4(C)COC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-3.68,6.35,;-4.98,5.66,;-6.32,6.43,;-7.65,5.66,;-8.99,6.43,;-10.32,5.66,;-10.32,4.12,;-11.65,3.35,;-12.99,4.12,;-12.99,5.66,;-11.65,6.43,;-7.65,4.12,;-6.32,3.35,;-4.98,4.12,;-3.65,3.35,;-3.65,1.81,;-4.98,1.04,;-4.98,-.5,;-3.65,-1.27,;-2.32,-.5,;-.85,-.97,;.05,.27,;1.59,.25,;2.39,1.57,;2.34,-1.1,;3.88,-1.1,;4.65,.23,;6.19,.23,;6.96,-1.1,;6.19,-2.43,;4.65,-2.43,;6.96,-3.77,;6.19,-5.1,;8.5,-3.77,;9.27,-2.43,;10.81,-2.43,;10.04,-1.1,;11.9,-1.34,;12.99,-2.43,;11.9,-3.52,;9.27,-5.1,;10.04,-6.43,;-.98,1.81,;-.98,3.35,;-2.32,4.12,;-2.32,5.66,;-2.32,1.04,)|
CNC\C=C(/F)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:12.14,(13.05,-1.77,;11.51,-1.77,;10.74,-3.1,;9.2,-3.1,;8.43,-4.43,;9.2,-5.77,;6.89,-4.43,;6.12,-5.77,;6.12,-3.1,;6.89,-1.77,;6.12,-.43,;4.58,-.43,;3.81,-1.77,;4.58,-3.1,;2.27,-1.77,;1.53,-.42,;2.32,.9,;-.01,-.39,;-.92,-1.64,;-2.38,-1.16,;-3.72,-1.93,;-5.05,-1.16,;-5.05,.38,;-3.72,1.15,;-3.72,2.69,;-5.05,3.46,;-6.38,2.69,;-7.72,3.46,;-7.72,5,;-9.05,5.77,;-10.39,5,;-10.39,3.46,;-11.72,2.69,;-13.05,3.46,;-13.05,5,;-11.72,5.77,;-6.38,5.77,;-5.05,5,;-3.72,5.77,;-2.38,3.46,;-2.38,5,;-1.05,2.69,;-1.05,1.15,;-2.38,.38,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CN4CCCC4)c([nH]c1=O)c23 |r,wU:25.26,(-2.59,3.02,;-3.92,2.25,;-5.26,3.02,;-6.59,2.25,;-7.92,3.02,;-9.26,2.25,;-10.59,3.02,;-11.92,2.25,;-11.92,.71,;-10.59,-.06,;-9.26,.71,;-6.59,.71,;-5.26,-.06,;-3.92,.71,;-2.59,-.06,;-2.59,-1.6,;-3.92,-2.37,;-3.92,-3.91,;-2.59,-4.68,;-1.26,-3.91,;.21,-4.39,;1.11,-3.14,;2.65,-3.14,;3.42,-4.48,;3.42,-1.81,;4.96,-1.81,;5.73,-3.14,;7.28,-3.14,;8.05,-1.81,;7.28,-.47,;5.73,-.47,;8.05,.86,;7.28,2.19,;9.59,.86,;10.36,2.19,;11.84,2.59,;11.92,4.13,;10.49,4.68,;9.52,3.49,;.08,-1.6,;.08,-.06,;-1.26,.71,;-1.26,2.25,;-1.26,-2.37,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(CN[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:24.25,(-1.8,5.75,;-3.14,4.98,;-4.47,5.75,;-5.81,4.98,;-7.14,5.75,;-8.47,4.98,;-9.81,5.75,;-11.14,4.98,;-11.14,3.44,;-9.81,2.67,;-8.47,3.44,;-5.81,3.44,;-4.47,2.67,;-3.14,3.44,;-1.8,2.67,;-1.8,1.13,;-3.14,.36,;-3.14,-1.18,;-1.8,-1.95,;-.47,-1.18,;.99,-1.66,;1.9,-.41,;3.44,-.41,;4.21,-1.75,;5.75,-1.75,;6.52,-.41,;8.06,-.41,;8.83,-1.75,;8.06,-3.08,;6.52,-3.08,;8.83,-4.41,;8.06,-5.75,;10.37,-4.41,;11.14,-3.08,;.86,1.13,;.86,2.67,;-.47,3.44,;-.47,4.98,;-.47,.36,)|
CNCC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:8.10,(11.96,.15,;10.47,.55,;9.38,-.54,;7.9,-.14,;7.5,1.35,;6.81,-1.23,;6.81,-2.77,;5.34,-3.25,;4.44,-2,;5.34,-.76,;2.9,-2,;2.1,-3.32,;2.85,-4.67,;.56,-3.29,;-.34,-4.54,;-1.81,-4.06,;-3.14,-4.83,;-4.47,-4.06,;-4.47,-2.52,;-3.14,-1.75,;-3.14,-.21,;-4.23,.88,;-5.72,.48,;-6.81,1.57,;-6.41,3.05,;-7.5,4.14,;-8.98,3.74,;-10.07,4.83,;-11.56,4.43,;-11.96,2.95,;-10.87,1.86,;-9.38,2.26,;-4.92,3.45,;-3.83,2.36,;-2.34,2.76,;-1.81,.56,;-1.81,2.1,;-.47,-.21,;-.47,-1.75,;-1.81,-2.52,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)CN)c([nH]c1=O)c23 |r,wD:25.26,(-4.23,-1.39,;-4.66,.32,;-6.16,.67,;-6.6,2.14,;-8.1,2.49,;-9.16,1.37,;-10.66,1.72,;-11.71,.59,;-11.26,-.88,;-9.76,-1.23,;-8.71,-.1,;-5.55,3.27,;-4.05,2.92,;-3.6,1.44,;-2.1,1.1,;-1.98,-.44,;-3.24,-1.32,;-3.11,-2.85,;-1.72,-3.51,;-.14,-2.57,;1.4,-2.6,;1.91,-1.15,;3.38,-.68,;4.52,-1.72,;3.7,.83,;5.17,1.29,;5.65,2.76,;7.19,2.75,;7.66,1.28,;6.41,.38,;9.17,.95,;9.64,-.51,;10.2,2.09,;11.71,1.76,;.68,-.22,;.55,1.32,;-.84,1.97,;-.97,3.51,;-.58,-1.1,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CN4CCCCC4)c([nH]c1=O)c23 |r,wU:25.26,(-2.96,2.93,;-4.29,2.16,;-5.63,2.93,;-6.96,2.16,;-8.29,2.93,;-9.63,2.16,;-10.96,2.93,;-12.29,2.16,;-12.29,.62,;-10.96,-.15,;-9.63,.62,;-6.96,.62,;-5.63,-.15,;-4.29,.62,;-2.96,-.15,;-2.96,-1.69,;-4.29,-2.46,;-4.29,-4,;-2.96,-4.77,;-1.63,-4,;-.16,-4.48,;.74,-3.23,;2.28,-3.23,;3.05,-4.56,;3.05,-1.9,;4.59,-1.9,;5.36,-3.23,;6.9,-3.23,;7.67,-1.9,;6.9,-.56,;5.36,-.56,;7.67,.77,;6.9,2.1,;9.21,.77,;9.98,2.1,;11.52,2.1,;12.29,3.44,;11.52,4.77,;9.98,4.77,;9.21,3.44,;-.29,-1.69,;-.29,-.15,;-1.63,.62,;-1.63,2.16,;-1.63,-2.46,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CN4CCOCC4)c([nH]c1=O)c23 |r,wU:25.26,(-2.65,3.11,;-4.29,2.16,;-5.63,2.93,;-6.96,2.16,;-8.29,2.93,;-9.63,2.16,;-10.96,2.93,;-12.29,2.16,;-12.29,.62,;-10.96,-.15,;-9.63,.62,;-6.96,.62,;-5.63,-.15,;-4.29,.62,;-2.96,-.15,;-2.96,-1.69,;-4.29,-2.46,;-4.29,-4,;-2.96,-4.77,;-1.63,-4,;-.16,-4.48,;.74,-3.23,;2.28,-3.23,;3.05,-4.56,;3.05,-1.9,;4.59,-1.9,;5.36,-3.23,;6.9,-3.23,;7.67,-1.9,;6.9,-.56,;5.36,-.56,;7.67,.77,;6.9,2.1,;9.21,.77,;9.98,2.1,;11.52,2.1,;12.29,3.44,;11.52,4.77,;9.98,4.77,;9.21,3.44,;-.29,-1.69,;-.29,-.15,;-1.63,.62,;-1.63,2.16,;-1.63,-2.46,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)CCl)c([nH]c1=O)c23 |r,wD:25.26,(-1.99,4.04,;-3.63,3.09,;-4.96,3.86,;-6.3,3.09,;-7.63,3.86,;-8.96,3.09,;-10.3,3.86,;-11.63,3.09,;-11.63,1.55,;-10.3,.78,;-8.96,1.55,;-6.3,1.55,;-4.96,.78,;-3.63,1.55,;-2.29,.78,;-2.29,-.76,;-3.63,-1.53,;-3.63,-3.07,;-2.29,-3.84,;-.96,-3.07,;.5,-3.54,;1.41,-2.3,;2.95,-2.3,;3.72,-3.63,;3.72,-.96,;5.26,-.96,;6.16,.28,;7.63,-.19,;7.63,-1.73,;6.16,-2.21,;8.96,-2.5,;8.96,-4.04,;10.3,-1.73,;11.63,-2.5,;.37,-.76,;.37,.78,;-.96,1.55,;-.96,3.09,;-.96,-1.53,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CCl)c([nH]c1=O)c23 |r,wD:25.26,(-1.8,4.41,;-3.14,3.64,;-4.47,4.41,;-5.81,3.64,;-7.14,4.41,;-8.47,3.64,;-9.81,4.41,;-11.14,3.64,;-11.14,2.1,;-9.81,1.33,;-8.47,2.1,;-5.81,2.1,;-4.47,1.33,;-3.14,2.1,;-1.8,1.33,;-1.8,-.21,;-3.14,-.98,;-3.14,-2.52,;-1.8,-3.29,;-.47,-2.52,;.99,-2.99,;1.9,-1.75,;3.44,-1.75,;4.21,-3.08,;4.21,-.41,;5.75,-.41,;6.52,.92,;8.06,.92,;8.83,-.41,;8.06,-1.75,;6.52,-1.75,;8.83,-3.08,;8.06,-4.41,;10.37,-3.08,;11.14,-1.75,;.86,-.21,;.86,1.33,;-.47,2.1,;-.47,3.64,;-.47,-.98,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(cc4)-c4cccs4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C(C)(C)C)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-3.19,6.25,;-4.52,5.48,;-5.86,6.25,;-7.19,5.48,;-8.52,6.25,;-9.86,5.48,;-10.95,6.57,;-12.43,6.17,;-12.83,4.69,;-11.74,3.6,;-10.26,4,;-7.19,3.94,;-5.86,3.17,;-4.52,3.94,;-3.19,3.17,;-3.19,1.63,;-4.52,.86,;-4.52,-.68,;-3.19,-1.45,;-1.86,-.68,;-.39,-1.15,;.51,.09,;2.05,.09,;2.82,1.43,;2.82,-1.24,;4.36,-1.24,;5.13,.09,;6.67,.09,;7.44,-1.24,;6.67,-2.57,;5.13,-2.57,;7.44,-3.91,;6.67,-5.24,;8.98,-3.91,;9.75,-2.57,;11.29,-2.57,;12.06,-1.24,;12.06,-3.91,;12.83,-2.57,;9.75,-5.24,;10.52,-6.57,;-.52,1.63,;-.52,3.17,;-1.86,3.94,;-1.86,5.48,;-1.86,.86,)|
CC(C)Oc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r|
CC(C)Oc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C\C(=C/C1CC1)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:12.15,(9.7,-5.82,;8.93,-4.49,;9.7,-3.15,;11.24,-3.15,;12.58,-3.92,;12.58,-2.38,;7.39,-4.49,;6.62,-5.82,;6.62,-3.15,;7.39,-1.82,;6.62,-.48,;5.08,-.48,;4.31,-1.82,;5.08,-3.15,;2.77,-1.82,;2,-.48,;2.77,.85,;.46,-.48,;-.44,-1.73,;-1.91,-1.25,;-3.24,-2.02,;-4.57,-1.25,;-4.57,.29,;-3.24,1.06,;-3.24,2.6,;-4.57,3.37,;-5.91,2.6,;-7.24,3.37,;-7.24,4.91,;-8.58,5.68,;-9.91,4.91,;-11.24,5.68,;-12.58,4.91,;-12.58,3.37,;-11.24,2.6,;-9.91,3.37,;-5.91,5.68,;-4.57,4.91,;-2.99,5.82,;-1.91,3.37,;-1.91,4.91,;-.57,2.6,;-.57,1.06,;-1.91,.29,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(\Cl)=C\C4CC4)c([nH]c1=O)c23 |r,wD:25.26,(-3.24,5.75,;-4.57,4.98,;-5.91,5.75,;-7.24,4.98,;-8.58,5.75,;-9.91,4.98,;-11.24,5.75,;-12.58,4.98,;-12.58,3.44,;-11.24,2.67,;-9.91,3.44,;-7.24,3.44,;-5.91,2.67,;-4.57,3.44,;-3.24,2.67,;-3.24,1.13,;-4.57,.36,;-4.57,-1.18,;-3.24,-1.95,;-1.91,-1.18,;-.44,-1.66,;.46,-.41,;2,-.41,;2.77,.92,;2.77,-1.75,;4.31,-1.75,;5.08,-.41,;6.62,-.41,;7.39,-1.75,;6.62,-3.08,;5.08,-3.08,;7.39,-4.41,;6.62,-5.75,;8.93,-4.41,;9.7,-5.75,;9.7,-3.08,;11.24,-3.08,;12.58,-3.85,;12.58,-2.31,;-.57,1.13,;-.57,2.67,;-1.91,3.44,;-1.91,4.98,;-1.91,.36,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\CN4CCOCC4)c([nH]c1=O)c23 |r,wU:25.26,(-4.11,4.16,;-5.45,3.39,;-6.78,4.16,;-8.12,3.39,;-9.45,4.16,;-10.78,3.39,;-12.12,4.16,;-13.45,3.39,;-13.45,1.85,;-12.12,1.08,;-10.78,1.85,;-8.12,1.85,;-6.78,1.08,;-5.45,1.85,;-4.11,1.08,;-4.11,-.46,;-5.45,-1.23,;-5.45,-2.77,;-4.11,-3.54,;-2.78,-2.77,;-1.32,-3.25,;-.41,-2,;1.13,-2,;1.9,-.67,;1.9,-3.33,;3.44,-3.33,;4.21,-4.67,;5.75,-4.67,;6.52,-3.33,;5.75,-2,;4.21,-2,;6.52,-.67,;5.75,.67,;8.06,-.67,;8.83,.67,;10.37,.67,;11.14,2,;10.37,3.33,;11.14,4.67,;12.68,4.67,;13.45,3.33,;12.68,2,;-1.45,-.46,;-1.45,1.08,;-2.78,1.85,;-2.78,3.39,;-2.78,-1.23,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc5sccc5c4)c(=O)[nH]c1c23 |r|
CC(C)Oc1ccc(cc1)-n1c2ccnc3sc(C(=O)NC4CCCNC4)c([nH]c1=O)c23
CCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC(C)C)cc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccc(cc4)-c4cccs4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(Cc4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CN1CC[C@H](C1)NC(=O)c1sc2nccc3n(Cc4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccc5sccc5c4)c(=O)[nH]c1c23 |r|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(Cc4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(Cc4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Cc1cc(OC(F)(F)F)ccc1-n1c2ccnc3sc(C(=O)NC4CCCNC4)c([nH]c1=O)c23 |(-4.01,-.77,;-4.01,.77,;-5.34,1.54,;-5.34,3.08,;-6.68,3.85,;-8.01,3.08,;-9.34,3.85,;-8.01,1.54,;-9.34,2.31,;-4.01,3.85,;-2.68,3.08,;-2.68,1.54,;-1.34,.77,;-1.34,-.77,;-2.68,-1.54,;-2.68,-3.08,;-1.34,-3.85,;-.01,-3.08,;1.52,-3.39,;2.41,-1.97,;3.95,-1.97,;4.72,-3.3,;4.72,-.63,;6.26,-.63,;7.03,-1.97,;8.57,-1.97,;9.34,-.63,;8.57,.7,;7.03,.7,;1.33,-.77,;1.33,.77,;-.01,1.54,;-.01,3.08,;-.01,-1.54,)|
Cc1cc(OC(F)(F)F)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:23.23,(-5.16,-.77,;-5.16,.77,;-6.5,1.54,;-6.5,3.08,;-7.83,3.85,;-9.17,3.08,;-10.5,3.85,;-9.17,1.54,;-10.5,2.31,;-5.16,3.85,;-3.83,3.08,;-3.83,1.54,;-2.5,.77,;-2.5,-.77,;-3.83,-1.54,;-3.83,-3.08,;-2.5,-3.85,;-1.16,-3.08,;.36,-3.39,;1.26,-1.97,;2.8,-1.97,;3.57,-3.3,;3.57,-.63,;5.11,-.63,;5.88,-1.97,;7.42,-1.97,;8.19,-.63,;7.42,.7,;5.88,.7,;8.19,2.03,;7.42,3.37,;9.73,2.03,;10.5,3.37,;.17,-.77,;.17,.77,;-1.16,1.54,;-1.16,3.08,;-1.16,-1.54,)|
FC(F)(F)Oc1ccc(cc1)-n1c2ccnc3sc(C(=O)NC4CCCNC4)c([nH]c1=O)c23
FC(F)(F)Oc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:22.22,(-10.5,3.85,;-9.17,3.08,;-9.17,1.54,;-7.83,3.85,;-6.5,3.08,;-5.16,3.85,;-3.83,3.08,;-3.83,1.54,;-5.16,.77,;-5.16,-.77,;-6.5,1.54,;-2.5,.77,;-2.5,-.77,;-3.83,-1.54,;-3.83,-3.08,;-2.5,-3.85,;-1.16,-3.08,;.36,-3.43,;1.26,-1.97,;2.8,-1.97,;3.57,-3.3,;3.57,-.63,;5.11,-.63,;5.88,-1.97,;7.42,-1.97,;8.19,-.63,;7.42,.7,;5.88,.7,;8.19,2.03,;7.42,3.37,;9.73,2.03,;10.5,3.37,;.17,-.77,;.17,.77,;-1.16,1.54,;-1.16,3.08,;-1.16,-1.54,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc5ccccc5c4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccn(Cc5ccccc5)n4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Cc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(cc4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CN(C)CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CN(C)CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cc5ccccc5s4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cc5ccccc5s4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccc5ccccc5c4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccc(Cc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccn(Cc5ccccc5)n4)c(=O)[nH]c1c23 |r|
CC1C[C@H](CCN1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:3.7,(10.01,-.19,;9.24,-1.52,;7.7,-1.52,;6.93,-2.85,;7.7,-4.19,;9.24,-4.19,;10.01,-2.85,;5.39,-2.85,;4.62,-1.52,;5.39,-.19,;3.08,-1.52,;2.15,-3.14,;.66,-2.74,;-.68,-3.51,;-2.01,-2.74,;-2.01,-1.2,;-.68,-.43,;-.68,1.11,;-2.01,1.88,;-3.34,1.11,;-4.68,1.88,;-4.68,3.42,;-6.01,4.19,;-7.34,3.42,;-8.68,4.19,;-10.01,3.42,;-10.01,1.88,;-8.68,1.11,;-7.34,1.88,;-3.34,4.19,;-2.01,3.42,;-.68,4.19,;.66,1.88,;.66,3.42,;1.99,1.11,;1.99,-.43,;.66,-1.2,)|
CC1C[C@@H](CCN1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:3.7,(10.01,-.19,;9.24,-1.52,;7.7,-1.52,;6.93,-2.85,;7.7,-4.19,;9.24,-4.19,;10.01,-2.85,;5.39,-2.85,;4.62,-1.52,;5.39,-.19,;3.08,-1.52,;2.15,-3.14,;.66,-2.74,;-.68,-3.51,;-2.01,-2.74,;-2.01,-1.2,;-.68,-.43,;-.68,1.11,;-2.01,1.88,;-3.34,1.11,;-4.68,1.88,;-4.68,3.42,;-6.01,4.19,;-7.34,3.42,;-8.68,4.19,;-10.01,3.42,;-10.01,1.88,;-8.68,1.11,;-7.34,1.88,;-3.34,4.19,;-2.01,3.42,;-.68,4.19,;.66,1.88,;.66,3.42,;1.99,1.11,;1.99,-.43,;.66,-1.2,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4(CO)CCOCC4)c([nH]c1=O)c23 |(-.68,3.85,;-2.01,3.08,;-3.34,3.85,;-4.68,3.08,;-6.01,3.85,;-7.34,3.08,;-8.68,3.85,;-10.01,3.08,;-10.01,1.54,;-8.68,.77,;-7.34,1.54,;-4.68,1.54,;-3.34,.77,;-2.01,1.54,;-.68,.77,;-.68,-.77,;-2.01,-1.54,;-2.01,-3.08,;-.68,-3.85,;.66,-3.08,;2.15,-3.48,;3.08,-1.86,;4.62,-1.86,;5.39,-3.19,;5.39,-.53,;6.93,-.53,;6.16,.81,;6.93,2.14,;7.7,-1.86,;9.24,-1.86,;10.01,-.53,;9.24,.81,;7.7,.81,;1.99,-.77,;1.99,.77,;.66,1.54,;.66,3.08,;.66,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4(CO)CCOCC4)c([nH]c1=O)c23 |(-.65,3.85,;-1.98,3.08,;-3.32,3.85,;-4.65,3.08,;-5.98,3.85,;-7.32,3.08,;-8.65,3.85,;-9.98,3.08,;-9.98,1.54,;-8.65,.77,;-7.32,1.54,;-4.65,1.54,;-3.32,.77,;-1.98,1.54,;-.65,.77,;-.65,-.77,;-1.98,-1.54,;-1.98,-3.08,;-.65,-3.85,;.68,-3.08,;2.15,-3.56,;3.05,-2.31,;4.59,-2.31,;5.36,-3.64,;5.36,-.98,;6.9,-.98,;6.13,.36,;6.9,1.69,;7.67,-2.31,;9.21,-2.31,;9.98,-.98,;9.21,.36,;7.67,.36,;2.02,-.77,;2.02,.77,;.68,1.54,;.68,3.08,;.68,-1.54,)|
CC(C)=C(Cl)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:11.13,(9.6,-1.75,;10.37,-3.08,;11.91,-3.08,;9.6,-4.41,;10.37,-5.75,;8.06,-4.41,;7.29,-5.75,;7.29,-3.08,;8.06,-1.75,;7.29,-.41,;5.75,-.41,;4.98,-1.75,;5.75,-3.08,;3.44,-1.75,;2.67,-.41,;3.44,.92,;1.13,-.41,;.22,-1.66,;-1.24,-1.18,;-2.57,-1.95,;-3.91,-1.18,;-3.91,.36,;-2.57,1.13,;-2.57,2.67,;-3.91,3.44,;-5.24,2.67,;-6.57,3.44,;-6.57,4.98,;-7.91,5.75,;-9.24,4.98,;-10.58,5.75,;-11.91,4.98,;-11.91,3.44,;-10.58,2.67,;-9.24,3.44,;-5.24,5.75,;-3.91,4.98,;-2.57,5.75,;-1.24,3.44,;-1.24,4.98,;.09,2.67,;.09,1.13,;-1.24,.36,)|
CN(C)C\C=C\C(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CN([C@@H]1CCN(C1)C(=O)C=C)C(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:2.1,(3.62,-3.63,;4.39,-2.3,;5.93,-2.3,;6.83,-1.05,;8.3,-1.53,;8.3,-3.07,;6.83,-3.54,;9.63,-3.84,;9.63,-5.38,;10.96,-3.07,;10.96,-1.53,;3.62,-.96,;4.39,.37,;2.08,-.96,;1.17,-2.21,;-.29,-1.73,;-1.63,-2.5,;-2.96,-1.73,;-2.96,-.19,;-1.63,.58,;-1.63,2.12,;-2.96,2.89,;-4.29,2.12,;-5.63,2.89,;-5.63,4.43,;-6.96,5.2,;-8.3,4.43,;-9.63,5.2,;-10.96,4.43,;-10.96,2.89,;-9.63,2.12,;-8.3,2.89,;-4.29,5.2,;-2.96,4.43,;-1.32,5.38,;-.29,2.89,;-.29,4.43,;1.04,2.12,;1.04,.58,;-.29,-.19,)|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CC(C)c1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:21.21,(-9.81,4.21,;-8.47,4.98,;-8.47,6.52,;-7.14,4.21,;-7.14,2.67,;-5.8,1.9,;-4.47,2.67,;-4.47,4.21,;-3.14,4.98,;-5.8,4.98,;-3.14,1.9,;-3.14,.36,;-4.47,-.41,;-4.47,-1.95,;-3.14,-2.72,;-1.8,-1.95,;-.34,-2.43,;.57,-1.18,;2.11,-1.18,;2.88,.15,;2.88,-2.52,;4.42,-2.52,;5.19,-1.18,;6.73,-1.18,;7.5,-2.52,;6.73,-3.85,;5.19,-3.85,;7.5,-5.18,;6.73,-6.52,;9.04,-5.18,;9.81,-3.85,;-.47,.36,;-.47,1.9,;-1.8,2.67,;-1.8,4.21,;-1.8,-.41,)|
CC(C)c1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:21.21,(-9.63,3.75,;-8.3,4.52,;-8.3,6.06,;-6.96,3.75,;-6.96,2.21,;-5.63,1.44,;-4.29,2.21,;-4.29,3.75,;-2.96,4.52,;-5.63,4.52,;-2.96,1.44,;-2.96,-.1,;-4.29,-.87,;-4.29,-2.41,;-2.96,-3.18,;-1.63,-2.41,;-.16,-2.89,;.74,-1.64,;2.28,-1.64,;3.05,-.31,;3.05,-2.98,;4.59,-2.98,;5.5,-1.73,;6.96,-2.21,;6.96,-3.75,;5.5,-4.22,;8.3,-4.52,;8.3,-6.06,;9.63,-3.75,;9.63,-2.21,;-.29,-.1,;-.29,1.44,;-1.63,2.21,;-1.63,3.75,;-1.63,-.87,)|
CC(C)c1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:21.21,(-8.65,2.87,;-7.32,3.64,;-7.32,5.18,;-5.98,2.87,;-5.98,1.33,;-4.65,.56,;-3.32,1.33,;-3.32,2.87,;-1.98,3.64,;-4.65,3.64,;-1.98,.56,;-1.98,-.98,;-3.32,-1.75,;-3.32,-3.29,;-1.98,-4.06,;-.65,-3.29,;.82,-3.76,;1.72,-2.52,;3.26,-2.52,;4.03,-1.18,;4.03,-3.85,;5.57,-3.85,;6.34,-2.52,;7.88,-2.52,;8.65,-3.85,;7.88,-5.18,;6.34,-5.18,;.68,-.98,;.68,.56,;-.65,1.33,;-.65,2.87,;-.65,-1.75,)|
CC(C)c1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C)C4)c([nH]c1=O)c23 |r,wD:21.21,(-8.65,3.54,;-7.32,4.31,;-7.32,5.85,;-5.98,3.54,;-5.98,2,;-4.65,1.23,;-3.32,2,;-3.32,3.54,;-1.98,4.31,;-4.65,4.31,;-1.98,1.23,;-1.98,-.31,;-3.32,-1.08,;-3.32,-2.62,;-1.98,-3.39,;-.65,-2.62,;.82,-3.1,;1.72,-1.85,;3.26,-1.85,;4.03,-.52,;4.03,-3.18,;5.57,-3.18,;6.34,-1.85,;7.88,-1.85,;8.65,-3.18,;7.88,-4.52,;8.65,-5.85,;6.34,-4.52,;.68,-.31,;.68,1.23,;-.65,2,;-.65,3.54,;-.65,-1.08,)|
COC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:15.17,(13.06,.25,;12.29,-1.08,;10.75,-1.08,;11.52,.25,;11.52,-2.41,;9.21,-1.08,;8.44,-2.41,;9.21,-3.75,;9.98,-5.08,;6.9,-2.41,;6.13,-3.75,;6.13,-1.08,;6.9,.25,;6.13,1.59,;4.59,1.59,;3.82,.25,;4.59,-1.08,;2.28,.25,;1.51,-1.08,;2.28,-2.41,;-.03,-1.08,;-.93,-2.33,;-2.4,-1.85,;-3.73,-2.62,;-5.06,-1.85,;-5.06,-.31,;-3.73,.46,;-3.73,2,;-5.06,2.77,;-6.4,2,;-7.73,2.77,;-7.73,4.31,;-9.06,5.08,;-10.4,4.31,;-11.73,5.08,;-13.06,4.31,;-13.06,2.77,;-11.73,2,;-10.4,2.77,;-6.4,5.08,;-5.06,4.31,;-3.73,5.08,;-2.4,2.77,;-2.4,4.31,;-1.06,2,;-1.06,.46,;-2.4,-.31,)|
C=CC(=O)N1CCC(CNC(=O)c2sc3nccc4n(-c5ccc(Oc6ccccc6)cc5)c(=O)[nH]c2c34)C1
O=C(NCC1CCNC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
FC1(F)Oc2ccc(cc2O1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)n4ccnc4)c([nH]c1=O)c23 |r|
COc1ccc(cc1C(F)(F)F)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1cc(OC2CCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:23.24,(-4.74,-.77,;-4.74,.77,;-6.07,1.54,;-6.07,3.08,;-7.41,3.85,;-8.74,3.08,;-10.23,3.48,;-10.63,1.99,;-9.14,1.59,;-4.74,3.85,;-3.41,3.08,;-3.41,1.54,;-2.07,.77,;-2.07,-.77,;-3.41,-1.54,;-3.41,-3.08,;-2.07,-3.85,;-.74,-3.08,;.59,-3.83,;1.36,-2.1,;2.89,-2.1,;3.66,-3.44,;3.66,-.77,;5.24,-.77,;6.01,-2.1,;7.55,-2.1,;8.32,-.77,;7.55,.56,;6.01,.56,;8.32,1.9,;7.55,3.23,;9.86,1.9,;10.63,3.23,;.59,-.77,;.59,.77,;-.74,1.54,;-.74,3.08,;-.74,-1.54,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC5CCC5)cc4)c(=O)[nH]c1c23 |r|
O=C(NC1CCCNC1=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
COc1ccc(cc1C(F)(F)F)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Cc1ccc(cc1Cl)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Cc1ccc(cc1C(F)(F)F)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
O=C(NCC1CCCO1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
O[C@H]1CN(C[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23)C(=O)C=C |r|
O[C@H]1CNC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cccc(Cc5ccccc5)c4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cccc(Oc5ccccc5)c4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CNC(=O)C4)c([nH]c1=O)c23 |r,wD:25.26,(-.92,3.85,;-2.25,3.08,;-3.58,3.85,;-4.92,3.08,;-6.25,3.85,;-7.59,3.08,;-8.92,3.85,;-10.25,3.08,;-10.25,1.54,;-8.92,.77,;-7.59,1.54,;-4.92,1.54,;-3.58,.77,;-2.25,1.54,;-.92,.77,;-.92,-.77,;-2.25,-1.54,;-2.25,-3.08,;-.92,-3.85,;.42,-3.08,;1.88,-3.56,;2.79,-2.31,;4.33,-2.31,;5.1,-3.64,;5.1,-.98,;6.64,-.98,;7.54,.27,;9.01,-.21,;9.01,-1.75,;10.25,-2.65,;7.54,-2.22,;1.75,-.77,;1.75,.77,;.42,1.54,;.42,3.08,;.42,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CNC(=O)C4)c([nH]c1=O)c23 |r,wU:25.26,(-.92,3.85,;-2.25,3.08,;-3.58,3.85,;-4.92,3.08,;-6.25,3.85,;-7.59,3.08,;-8.92,3.85,;-10.25,3.08,;-10.25,1.54,;-8.92,.77,;-7.59,1.54,;-4.92,1.54,;-3.58,.77,;-2.25,1.54,;-.92,.77,;-.92,-.77,;-2.25,-1.54,;-2.25,-3.08,;-.92,-3.85,;.42,-3.08,;1.88,-3.56,;2.79,-2.31,;4.33,-2.31,;5.1,-3.64,;5.1,-.98,;6.64,-.98,;7.54,.27,;9.01,-.21,;9.01,-1.75,;10.25,-2.65,;7.54,-2.22,;1.75,-.77,;1.75,.77,;.42,1.54,;.42,3.08,;.42,-1.54,)|
C\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:9.11,(11.91,-3.08,;10.37,-3.08,;9.6,-4.41,;8.06,-4.41,;7.29,-5.75,;7.29,-3.08,;8.06,-1.75,;7.29,-.41,;5.75,-.41,;4.98,-1.75,;5.75,-3.08,;3.44,-1.75,;2.67,-.41,;3.44,.92,;1.13,-.41,;.22,-1.66,;-1.24,-1.18,;-2.57,-1.95,;-3.91,-1.18,;-3.91,.36,;-2.57,1.13,;-2.57,2.67,;-3.91,3.44,;-5.24,2.67,;-6.57,3.44,;-6.57,4.98,;-7.91,5.75,;-9.24,4.98,;-10.58,5.75,;-11.91,4.98,;-11.91,3.44,;-10.58,2.67,;-9.24,3.44,;-5.24,5.75,;-3.91,4.98,;-2.57,5.75,;-1.24,3.44,;-1.24,4.98,;.09,2.67,;.09,1.13,;-1.24,.36,)|
C\C=C/C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:9.11,(10.19,-1.75,;10.96,-3.08,;10.19,-4.41,;8.65,-4.41,;7.88,-5.75,;7.88,-3.08,;8.65,-1.75,;7.88,-.41,;6.34,-.41,;5.57,-1.75,;6.34,-3.08,;4.03,-1.75,;3.26,-.41,;4.03,.92,;1.72,-.41,;.81,-1.66,;-.65,-1.18,;-1.98,-1.95,;-3.32,-1.18,;-3.32,.36,;-1.98,1.13,;-1.98,2.67,;-3.32,3.44,;-4.65,2.67,;-5.99,3.44,;-5.99,4.98,;-7.32,5.75,;-8.65,4.98,;-9.99,5.75,;-11.32,4.98,;-11.32,3.44,;-9.99,2.67,;-8.65,3.44,;-4.65,5.75,;-3.32,4.98,;-1.98,5.75,;-.65,3.44,;-.65,4.98,;.68,2.67,;.68,1.13,;-.65,.36,)|
COCC(C)(C)\C=C(\C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:16.18,(10.81,2.92,;10.04,1.59,;10.81,.25,;10.04,-1.08,;8.7,-.31,;9.64,.41,;10.81,-2.41,;10.04,-3.75,;10.81,-5.08,;11.58,-6.41,;8.39,-3.75,;7.62,-5.08,;7.62,-2.41,;8.39,-1.08,;7.62,.25,;6.08,.25,;5.31,-1.08,;6.08,-2.41,;3.77,-1.08,;3,.25,;3.77,1.59,;1.46,.25,;.56,-.99,;-.91,-.52,;-2.24,-1.29,;-3.57,-.52,;-3.57,1.02,;-2.24,1.79,;-2.24,3.33,;-3.57,4.1,;-4.91,3.33,;-6.24,4.1,;-6.24,5.64,;-7.58,6.41,;-8.91,5.64,;-10.24,6.41,;-11.58,5.64,;-11.58,4.1,;-10.24,3.33,;-8.91,4.1,;-4.91,6.41,;-3.57,5.64,;-2.24,6.41,;-.91,4.1,;-.91,5.64,;.43,3.33,;.43,1.79,;-.91,1.02,)|
CCOC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:16.18,(13.45,.25,;12.68,-1.08,;11.14,-1.08,;10.37,-2.41,;11.14,-3.75,;11.91,-2.41,;8.83,-2.41,;8.06,-3.75,;8.83,-5.08,;9.6,-6.41,;6.52,-3.75,;5.75,-5.08,;5.75,-2.41,;6.52,-1.08,;5.75,.25,;4.21,.25,;3.44,-1.08,;4.21,-2.41,;1.9,-1.08,;1.13,.25,;1.9,1.59,;-.41,.25,;-1.32,-.99,;-2.78,-.52,;-4.12,-1.29,;-5.45,-.52,;-5.45,1.02,;-4.12,1.79,;-4.12,3.33,;-5.45,4.1,;-6.78,3.33,;-8.12,4.1,;-8.12,5.64,;-9.45,6.41,;-10.79,5.64,;-12.12,6.41,;-13.45,5.64,;-13.45,4.1,;-12.12,3.33,;-10.79,4.1,;-6.78,6.41,;-5.45,5.64,;-4.12,6.41,;-2.78,4.1,;-2.78,5.64,;-1.45,3.33,;-1.45,1.79,;-2.78,1.02,)|
CO[C@@H]1C[C@H](CN(C1)C(=O)C=C)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:2.1,wD:4.12,(8.06,3.59,;8.83,2.25,;8.06,.92,;6.52,.92,;5.75,-.41,;6.52,-1.75,;8.06,-1.75,;8.83,-.41,;8.83,-3.08,;8.06,-4.41,;10.37,-3.08,;11.14,-1.75,;4.21,-.41,;3.44,-1.75,;4.21,-3.08,;1.9,-1.75,;.99,-2.99,;-.47,-2.52,;-1.8,-3.29,;-3.14,-2.52,;-3.14,-.98,;-1.8,-.21,;-1.8,1.33,;-3.14,2.1,;-4.47,1.33,;-5.81,2.1,;-5.81,3.64,;-7.14,4.41,;-8.47,3.64,;-9.81,4.41,;-11.14,3.64,;-11.14,2.1,;-9.81,1.33,;-8.47,2.1,;-4.47,4.41,;-3.14,3.64,;-1.8,4.41,;-.47,2.1,;-.47,3.64,;.86,1.33,;.86,-.21,;-.47,-.98,)|
CO[C@H]1C[C@H](CN(C1)C(=O)C=C)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:4.12,2.1,(8.04,3.65,;8.81,2.32,;8.04,.98,;6.5,.98,;5.73,-.35,;6.5,-1.68,;8.04,-1.68,;8.81,-.35,;8.81,-3.02,;8.04,-4.35,;10.35,-3.02,;11.12,-1.68,;4.19,-.35,;3.42,-1.68,;4.19,-3.02,;1.88,-1.68,;1.04,-2.98,;-.45,-2.58,;-1.78,-3.35,;-3.12,-2.58,;-3.12,-1.04,;-1.78,-.27,;-1.78,1.27,;-3.12,2.04,;-4.45,1.27,;-5.78,2.04,;-5.78,3.58,;-7.12,4.35,;-8.45,3.58,;-9.78,4.35,;-11.12,3.58,;-11.12,2.04,;-9.78,1.27,;-8.45,2.04,;-4.45,4.35,;-3.12,3.58,;-1.78,4.35,;-.45,2.04,;-.45,3.58,;.89,1.27,;.89,-.27,;-.45,-1.04,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4C[C@@H](O)CN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:27.29,wD:25.26,(-1.78,4.35,;-3.12,3.58,;-4.45,4.35,;-5.78,3.58,;-7.12,4.35,;-8.45,3.58,;-9.78,4.35,;-11.12,3.58,;-11.12,2.04,;-9.78,1.27,;-8.45,2.04,;-5.78,2.04,;-4.45,1.27,;-3.12,2.04,;-1.78,1.27,;-1.78,-.27,;-3.12,-1.04,;-3.12,-2.58,;-1.78,-3.35,;-.45,-2.58,;1.04,-2.98,;1.88,-1.68,;3.42,-1.68,;4.19,-3.02,;4.19,-.35,;5.73,-.35,;6.5,.98,;8.04,.98,;8.81,2.32,;8.81,-.35,;8.04,-1.68,;6.5,-1.68,;8.81,-3.02,;8.04,-4.35,;10.35,-3.02,;11.12,-1.68,;.89,-.27,;.89,1.27,;-.45,2.04,;-.45,3.58,;-.45,-1.04,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4C[C@H](F)CN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,27.29,(-1.78,4.35,;-3.12,3.58,;-4.45,4.35,;-5.78,3.58,;-7.12,4.35,;-8.45,3.58,;-9.78,4.35,;-11.12,3.58,;-11.12,2.04,;-9.78,1.27,;-8.45,2.04,;-5.78,2.04,;-4.45,1.27,;-3.12,2.04,;-1.78,1.27,;-1.78,-.27,;-3.12,-1.04,;-3.12,-2.58,;-1.78,-3.35,;-.45,-2.58,;1.04,-2.98,;1.88,-1.68,;3.42,-1.68,;4.19,-3.02,;4.19,-.35,;5.73,-.35,;6.5,.98,;8.04,.98,;8.81,2.32,;8.81,-.35,;8.04,-1.68,;6.5,-1.68,;8.81,-3.02,;8.04,-4.35,;10.35,-3.02,;11.12,-1.68,;.89,-.27,;.89,1.27,;-.45,2.04,;-.45,3.58,;-.45,-1.04,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4COCCN(C4)C#N)c([nH]c1=O)c23 |(-.8,4.47,;-2.13,3.7,;-3.47,4.47,;-4.8,3.7,;-6.13,4.47,;-7.47,3.7,;-8.8,4.47,;-10.13,3.7,;-10.13,2.16,;-8.8,1.39,;-7.47,2.16,;-4.8,2.16,;-3.47,1.39,;-2.13,2.16,;-.8,1.39,;-.8,-.15,;-2.13,-.92,;-2.13,-2.46,;-.8,-3.23,;.54,-2.46,;2.02,-2.86,;2.86,-1.57,;4.4,-1.57,;5.17,-.24,;5.17,-2.9,;6.71,-2.9,;7.48,-4.24,;9,-4.47,;10.13,-3.42,;10.02,-1.88,;8.75,-1.02,;7.27,-1.47,;8.75,.52,;8.75,2.06,;1.87,-.15,;1.87,1.39,;.54,2.16,;.54,3.7,;.54,-.92,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CN(C[C@@H]4F)C(=O)C=C)c([nH]c1=O)c23 |r,wU:29.32,wD:25.26,(-2.23,3.96,;-3.56,3.19,;-4.9,3.96,;-6.23,3.19,;-7.56,3.96,;-8.9,3.19,;-10.23,3.96,;-11.56,3.19,;-11.56,1.65,;-10.23,.88,;-8.9,1.65,;-6.23,1.65,;-4.9,.88,;-3.56,1.65,;-2.23,.88,;-2.23,-.66,;-3.56,-1.43,;-3.56,-2.97,;-2.23,-3.74,;-.89,-2.97,;.59,-3.37,;1.43,-2.08,;2.97,-2.08,;3.74,-3.41,;3.74,-.74,;5.28,-.74,;6.19,-1.99,;7.65,-1.51,;7.65,.03,;6.19,.5,;5.71,1.97,;8.9,-2.42,;8.9,-3.96,;10.23,-1.65,;11.56,-2.42,;.44,-.66,;.44,.88,;-.89,1.65,;-.89,3.19,;-.89,-1.43,)|
CCOC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:16.18,(13.43,.32,;12.66,-1.02,;11.12,-1.02,;10.35,-2.35,;10.35,-3.89,;11.83,-2.75,;8.81,-2.35,;8.04,-3.69,;8.81,-5.02,;9.58,-6.35,;6.5,-3.69,;5.73,-5.02,;5.73,-2.35,;6.5,-1.02,;5.73,.32,;4.19,.32,;3.42,-1.02,;4.19,-2.35,;1.88,-1.02,;1.11,.32,;1.88,1.65,;-.43,.32,;-1.27,-.98,;-2.76,-.58,;-4.09,-1.35,;-5.43,-.58,;-5.43,.96,;-4.09,1.73,;-4.09,3.27,;-5.43,4.04,;-6.76,3.27,;-8.09,4.04,;-8.09,5.58,;-9.43,6.35,;-10.76,5.58,;-12.09,6.35,;-13.43,5.58,;-13.43,4.04,;-12.09,3.27,;-10.76,4.04,;-6.76,6.35,;-5.43,5.58,;-4.09,6.35,;-2.76,4.04,;-2.76,5.58,;-1.42,3.27,;-1.42,1.73,;-2.76,.96,)|
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:12.14,(13.04,-1.68,;11.5,-1.68,;10.73,-.35,;10.73,-3.02,;9.19,-3.02,;8.42,-4.35,;6.88,-4.35,;6.11,-5.69,;6.11,-3.02,;6.88,-1.68,;6.11,-.35,;4.57,-.35,;3.8,-1.68,;4.57,-3.02,;2.26,-1.68,;1.49,-.35,;2.26,.98,;-.05,-.35,;-.89,-1.64,;-2.37,-1.24,;-3.71,-2.01,;-5.04,-1.24,;-5.04,.3,;-3.71,1.07,;-3.71,2.61,;-5.04,3.38,;-6.37,2.61,;-7.71,3.38,;-7.71,4.92,;-9.04,5.69,;-10.38,4.92,;-11.71,5.69,;-13.04,4.92,;-13.04,3.38,;-11.71,2.61,;-10.38,3.38,;-6.37,5.69,;-5.04,4.92,;-3.71,5.69,;-2.37,3.38,;-2.37,4.92,;-1.04,2.61,;-1.04,1.07,;-2.37,.3,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CN(C[C@H]4O)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-2.23,3.96,;-3.56,3.19,;-4.9,3.96,;-6.23,3.19,;-7.56,3.96,;-8.9,3.19,;-10.23,3.96,;-11.56,3.19,;-11.56,1.65,;-10.23,.88,;-8.9,1.65,;-6.23,1.65,;-4.9,.88,;-3.56,1.65,;-2.23,.88,;-2.23,-.66,;-3.56,-1.43,;-3.56,-2.97,;-2.23,-3.74,;-.89,-2.97,;.59,-3.37,;1.43,-2.08,;2.97,-2.08,;3.74,-3.41,;3.74,-.74,;5.28,-.74,;6.19,-1.99,;7.65,-1.51,;7.65,.03,;6.19,.5,;5.71,1.97,;8.9,-2.42,;8.9,-3.96,;10.23,-1.65,;11.56,-2.42,;.44,-.66,;.44,.88,;-.89,1.65,;-.89,3.19,;-.89,-1.43,)|
CO[C@H]1CN(C[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23)C(=O)C=C |r,wU:2.1,wD:6.7,(4.2,2.29,;5.71,1.97,;6.19,.5,;7.65,.03,;7.65,-1.51,;6.19,-1.99,;5.28,-.74,;3.74,-.74,;2.97,-2.08,;3.74,-3.41,;1.43,-2.08,;.59,-3.37,;-.89,-2.97,;-2.23,-3.74,;-3.56,-2.97,;-3.56,-1.43,;-2.23,-.66,;-2.23,.88,;-3.56,1.65,;-4.9,.88,;-6.23,1.65,;-6.23,3.19,;-7.56,3.96,;-8.9,3.19,;-10.23,3.96,;-11.56,3.19,;-11.56,1.65,;-10.23,.88,;-8.9,1.65,;-4.9,3.96,;-3.56,3.19,;-2.23,3.96,;-.89,1.65,;-.89,3.19,;.44,.88,;.44,-.66,;-.89,-1.43,;8.9,-2.42,;8.9,-3.96,;10.23,-1.65,;11.56,-2.42,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-3,3.96,;-4.33,3.19,;-5.67,3.96,;-7,3.19,;-8.33,3.96,;-9.67,3.19,;-11,3.96,;-12.33,3.19,;-12.33,1.65,;-11,.88,;-9.67,1.65,;-7,1.65,;-5.67,.88,;-4.33,1.65,;-3,.88,;-3,-.66,;-4.33,-1.43,;-4.33,-2.97,;-3,-3.74,;-1.67,-2.97,;-.18,-3.37,;.66,-2.08,;2.2,-2.08,;2.97,-3.41,;2.97,-.74,;4.51,-.74,;5.42,.5,;6.88,.03,;6.88,-1.51,;5.42,-1.99,;8.13,-2.42,;8.13,-3.96,;9.46,-1.65,;9.46,-.11,;10.79,.66,;12.33,.66,;11.56,1.99,;10.79,-2.42,;12.13,-3.19,;-.33,-.66,;-.33,.88,;-1.67,1.65,;-1.67,3.19,;-1.67,-1.43,)|
CNC\C=C\C(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:10.12,(12.28,1.7,;10.94,.93,;10.94,-.61,;9.61,-1.38,;9.61,-2.92,;8.27,-3.69,;8.27,-5.23,;6.94,-2.92,;6.94,-1.38,;5.48,-.9,;4.57,-2.15,;5.48,-3.39,;3.03,-2.15,;2.26,-.81,;3.03,.52,;.72,-.81,;-.12,-2.1,;-1.61,-1.7,;-2.94,-2.47,;-4.27,-1.7,;-4.27,-.16,;-2.94,.61,;-2.94,2.15,;-4.27,2.92,;-5.61,2.15,;-6.94,2.92,;-6.94,4.46,;-8.27,5.23,;-9.61,4.46,;-10.94,5.23,;-12.28,4.46,;-12.28,2.92,;-10.94,2.15,;-9.61,2.92,;-5.61,5.23,;-4.27,4.46,;-2.94,5.23,;-1.61,2.92,;-1.61,4.46,;-.27,2.15,;-.27,.61,;-1.61,-.16,)|
CN1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:4.6,(10.23,-2.53,;8.98,-1.62,;8.98,-.08,;7.52,.39,;6.61,-.85,;7.52,-2.1,;5.07,-.85,;4.3,-2.19,;5.07,-3.52,;2.76,-2.19,;1.93,-3.48,;.44,-3.08,;-.89,-3.85,;-2.23,-3.08,;-2.23,-1.54,;-.89,-.77,;-.89,.77,;-2.23,1.54,;-3.56,.77,;-4.9,1.54,;-4.9,3.08,;-6.23,3.85,;-7.56,3.08,;-8.9,3.85,;-10.23,3.08,;-10.23,1.54,;-8.9,.77,;-7.56,1.54,;-3.56,3.85,;-2.23,3.08,;-.89,3.85,;.44,1.54,;.44,3.08,;1.77,.77,;1.77,-.77,;.44,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)CCS(C)(=O)=O)c([nH]c1=O)c23 |r,wD:25.26,(-3.61,5.23,;-4.94,4.46,;-6.27,5.23,;-7.61,4.46,;-8.94,5.23,;-10.27,4.46,;-11.61,5.23,;-12.94,4.46,;-12.94,2.92,;-11.61,2.15,;-10.27,2.92,;-7.61,2.92,;-6.27,2.15,;-4.94,2.92,;-3.61,2.15,;-3.61,.61,;-4.94,-.16,;-4.94,-1.7,;-3.61,-2.47,;-2.27,-1.7,;-.78,-2.1,;.05,-.81,;1.59,-.81,;2.36,.52,;2.36,-2.15,;3.9,-2.15,;4.81,-.9,;6.27,-1.38,;6.27,-2.92,;4.81,-3.39,;7.61,-3.69,;7.61,-5.23,;8.94,-2.92,;10.27,-3.69,;11.61,-2.92,;12.94,-3.69,;11.61,-1.38,;11.61,-4.46,;-.94,.61,;-.94,2.15,;-2.27,2.92,;-2.27,4.46,;-2.27,-.16,)|
COCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:9.11,(11.89,-4.35,;10.35,-4.35,;9.58,-3.02,;8.04,-3.02,;7.27,-4.35,;7.27,-1.68,;8.04,-.35,;7.27,.98,;5.73,.98,;4.96,-.35,;5.73,-1.68,;3.42,-.35,;2.65,-1.68,;3.42,-3.02,;1.11,-1.68,;.27,-2.98,;-1.22,-2.58,;-2.55,-3.35,;-3.89,-2.58,;-3.89,-1.04,;-2.55,-.27,;-2.55,1.27,;-3.89,2.04,;-5.22,1.27,;-6.55,2.04,;-6.55,3.58,;-7.89,4.35,;-9.22,3.58,;-10.55,4.35,;-11.89,3.58,;-11.89,2.04,;-10.55,1.27,;-9.22,2.04,;-5.22,4.35,;-3.89,3.58,;-2.55,4.35,;-1.22,2.04,;-1.22,3.58,;.12,1.27,;.12,-.27,;-1.22,-1.04,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CN(C4)C(=O)C=C)c([nH]c1=O)c23 |(-2.1,3.85,;-3.43,3.08,;-4.77,3.85,;-6.1,3.08,;-7.44,3.85,;-8.77,3.08,;-10.1,3.85,;-11.44,3.08,;-11.44,1.54,;-10.1,.77,;-8.77,1.54,;-6.1,1.54,;-4.77,.77,;-3.43,1.54,;-2.1,.77,;-2.1,-.77,;-3.43,-1.54,;-3.43,-3.08,;-2.1,-3.85,;-.77,-3.08,;.72,-3.48,;1.56,-2.19,;3.1,-2.19,;3.87,-3.52,;3.87,-.85,;5.41,-.85,;6.5,-1.94,;7.59,-.85,;6.5,.24,;9.13,-.85,;9.9,.48,;9.9,-2.19,;11.44,-2.19,;.57,-.77,;.57,.77,;-.77,1.54,;-.77,3.08,;-.77,-1.54,)|
Cc1cc(Oc2ccccc2)cnc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-4.18,1.77,;-4.18,3.31,;-5.51,4.08,;-5.51,5.62,;-6.85,6.39,;-8.18,5.62,;-9.51,6.39,;-10.85,5.62,;-10.85,4.08,;-9.51,3.31,;-8.18,4.08,;-4.18,6.39,;-2.84,5.62,;-2.84,4.08,;-1.51,3.31,;-1.51,1.77,;-2.84,1,;-2.84,-.54,;-1.51,-1.31,;-.18,-.54,;1.16,-1.31,;2.37,.26,;3.91,.27,;4.66,1.61,;4.69,-1.06,;6.23,-1.06,;7,.28,;8.54,.28,;9.31,-1.06,;8.54,-2.39,;7,-2.39,;9.31,-3.72,;10.85,-3.72,;8.54,-5.06,;9.31,-6.39,;1.16,1.77,;1.16,3.31,;-.18,4.08,;-.18,5.62,;-.18,1,)|
Fc1cccc(c1F)-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4C[C@@H](F)CN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:27.29,wD:25.26,(-1.82,4.41,;-3.05,3.63,;-4.39,4.4,;-5.72,3.63,;-7.05,4.4,;-8.39,3.63,;-9.72,4.4,;-11.06,3.63,;-11.06,2.09,;-9.72,1.32,;-8.39,2.09,;-5.72,2.09,;-4.39,1.32,;-3.05,2.09,;-1.72,1.32,;-1.72,-.22,;-3.05,-.99,;-3.05,-2.53,;-1.72,-3.3,;-.39,-2.53,;.95,-3.3,;2.16,-1.74,;3.42,-1.74,;4.19,-3.07,;4.19,-.4,;5.73,-.4,;6.5,.93,;8.04,.93,;8.82,2.21,;8.81,-.4,;8.04,-1.74,;6.5,-1.74,;8.81,-3.07,;8.04,-4.41,;10.29,-3.07,;11.06,-1.74,;.95,-.22,;.95,1.32,;-.39,2.09,;-.39,3.63,;-.39,-.99,)|
Fc1cccc(c1)-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1cc(OC2CCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:23.24,(-4.95,-.77,;-4.95,.77,;-6.28,1.54,;-6.28,3.08,;-7.62,3.85,;-8.95,3.08,;-10.44,3.48,;-10.84,1.99,;-9.35,1.59,;-4.95,3.85,;-3.62,3.08,;-3.62,1.54,;-2.28,.77,;-2.28,-.77,;-3.62,-1.54,;-3.62,-3.08,;-2.28,-3.85,;-.95,-3.08,;.39,-3.85,;1.6,-2.28,;3.14,-2.28,;3.91,-3.62,;3.91,-.95,;5.45,-.95,;6.22,-2.28,;7.76,-2.28,;8.53,-.95,;7.76,.38,;6.22,.38,;8.53,1.72,;7.76,3.05,;10.07,1.72,;10.84,3.05,;.39,-.77,;.39,.77,;-.95,1.54,;-.95,3.08,;-.95,-1.54,)|
CN(C)C\C=C\C(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:11.13,(13.62,-1.63,;12.29,-2.4,;12.29,-3.94,;10.95,-1.63,;9.62,-2.4,;8.29,-1.63,;6.95,-2.4,;6.95,-3.94,;5.62,-1.63,;5.62,-.09,;4.15,.39,;3.25,-.86,;4.15,-2.11,;1.71,-.86,;.94,-2.19,;1.71,-3.53,;-.41,-2.19,;-1.62,-3.76,;-2.95,-2.99,;-4.29,-3.76,;-5.62,-2.99,;-5.62,-1.45,;-4.29,-.68,;-4.29,.86,;-5.62,1.63,;-6.95,.86,;-8.29,1.63,;-8.29,3.17,;-9.62,3.94,;-10.95,3.17,;-12.29,3.94,;-13.62,3.17,;-13.62,1.63,;-12.29,.86,;-10.95,1.63,;-6.95,3.94,;-5.62,3.17,;-4.29,3.94,;-2.95,1.63,;-2.95,3.17,;-1.62,.86,;-1.62,-.68,;-2.95,-1.45,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\CO)c([nH]c1=O)c23 |r,wD:25.26,(-2.84,5.72,;-4.17,4.95,;-5.5,5.72,;-6.84,4.95,;-8.17,5.72,;-9.5,4.95,;-10.84,5.72,;-12.17,4.95,;-12.17,3.41,;-10.84,2.64,;-9.5,3.41,;-6.84,3.41,;-5.5,2.64,;-4.17,3.41,;-2.84,2.64,;-2.84,1.1,;-4.17,.33,;-4.17,-1.21,;-2.84,-1.98,;-1.5,-1.21,;-.17,-1.98,;1.04,-.41,;2.3,-.4,;3.06,.94,;3.08,-1.72,;4.62,-1.72,;5.39,-.39,;6.93,-.39,;7.7,-1.72,;6.93,-3.06,;5.39,-3.06,;7.7,-4.39,;6.93,-5.72,;9.24,-4.39,;10.01,-3.06,;11.4,-3.06,;12.17,-1.72,;-.17,1.1,;-.17,2.64,;-1.5,3.41,;-1.5,4.95,;-1.5,.33,)|
Cc1ccccc1-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1cc(OC(F)(F)F)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:23.23,(-5.15,-.77,;-5.15,.77,;-6.48,1.54,;-6.48,3.08,;-7.82,3.85,;-9.15,3.08,;-9.15,1.54,;-10.48,3.85,;-10.64,2.68,;-5.15,3.85,;-3.81,3.08,;-3.81,1.54,;-2.48,.77,;-2.48,-.77,;-3.81,-1.54,;-3.81,-3.08,;-2.48,-3.85,;-1.15,-3.08,;.19,-3.85,;1.4,-2.28,;2.94,-2.28,;3.71,-3.62,;3.71,-.95,;5.25,-.95,;6.02,-2.28,;7.56,-2.28,;8.33,-.95,;7.56,.38,;6.02,.38,;8.33,1.72,;7.56,3.05,;9.87,1.72,;10.64,3.05,;.19,-.77,;.19,.77,;-1.15,1.54,;-1.15,3.08,;-1.15,-1.54,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
Clc1cccc(c1)-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
CO[C@@H]1CN(C[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23)C(=O)C=C |r,wD:6.7,2.1,(4.93,2.18,;6.44,1.86,;6.91,.4,;8.38,-.08,;8.38,-1.62,;6.91,-2.1,;6.01,-.85,;4.47,-.85,;3.71,-2.19,;4.49,-3.52,;2.17,-2.2,;.96,-3.77,;-.38,-3,;-1.71,-3.77,;-3.04,-3,;-3.04,-1.46,;-1.71,-.69,;-1.71,.85,;-3.04,1.62,;-4.38,.85,;-5.71,1.62,;-5.71,3.16,;-7.04,3.93,;-8.38,3.16,;-9.71,3.93,;-11.04,3.16,;-11.04,1.62,;-9.71,.85,;-8.38,1.62,;-4.38,3.93,;-3.04,3.16,;-1.71,3.93,;-.38,1.62,;-.38,3.16,;.96,.85,;.96,-.69,;-.38,-1.46,;9.71,-2.39,;9.71,-3.93,;11.04,-1.62,;11.04,-.08,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4(C)COC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-3.72,6.39,;-5.05,5.62,;-6.39,6.39,;-7.72,5.62,;-9.05,6.39,;-10.39,5.62,;-11.72,6.39,;-13.05,5.62,;-13.05,4.08,;-11.72,3.31,;-10.39,4.08,;-7.72,4.08,;-6.39,3.31,;-5.05,4.08,;-3.72,3.31,;-3.72,1.77,;-5.05,1,;-5.05,-.54,;-3.72,-1.31,;-2.38,-.54,;-1.05,-1.31,;.16,.26,;1.53,.27,;2.29,1.61,;2.31,-1.06,;4.02,-1.06,;4.79,.28,;6.33,.28,;7.1,-1.06,;6.33,-2.39,;4.79,-2.39,;7.1,-3.72,;6.33,-5.06,;8.64,-3.72,;9.41,-2.39,;10.95,-2.39,;10.18,-1.06,;11.72,-3.72,;13.05,-2.95,;12.28,-1.62,;9.41,-5.06,;10.18,-6.39,;-1.05,1.77,;-1.05,3.31,;-2.38,4.08,;-2.38,5.62,;-2.38,1,)|
Clc1ccccc1-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\CN)c([nH]c1=O)c23 |r,wD:25.26,(-2.94,5.72,;-4.28,4.95,;-5.61,5.72,;-6.94,4.95,;-8.28,5.72,;-9.61,4.95,;-10.94,5.72,;-12.28,4.95,;-12.28,3.41,;-10.94,2.64,;-9.61,3.41,;-6.94,3.41,;-5.61,2.64,;-4.28,3.41,;-2.94,2.64,;-2.94,1.1,;-4.28,.33,;-4.28,-1.21,;-2.94,-1.98,;-1.61,-1.21,;-.27,-1.98,;.94,-.41,;2.4,-.4,;3.16,.94,;3.18,-1.72,;4.72,-1.72,;5.49,-.39,;7.03,-.39,;7.8,-1.72,;7.03,-3.06,;5.49,-3.06,;7.8,-4.39,;7.03,-5.72,;9.27,-4.39,;10.04,-3.06,;11.51,-3.06,;12.28,-1.72,;-.27,1.1,;-.27,2.64,;-1.61,3.41,;-1.61,4.95,;-1.61,.33,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-3.22,6.35,;-4.55,5.58,;-5.89,6.35,;-7.22,5.58,;-8.55,6.35,;-9.89,5.58,;-11.22,6.35,;-12.56,5.58,;-12.56,4.04,;-11.22,3.27,;-9.89,4.04,;-7.22,4.04,;-5.89,3.27,;-4.55,4.04,;-3.22,3.27,;-3.22,1.73,;-4.55,.96,;-4.55,-.58,;-3.22,-1.35,;-1.89,-.58,;-.4,-.98,;.44,.32,;1.98,.32,;2.75,1.65,;2.75,-1.02,;4.29,-1.02,;5.06,.32,;6.6,.32,;7.37,-1.02,;6.6,-2.35,;5.06,-2.35,;7.37,-3.69,;6.6,-5.02,;8.91,-3.69,;9.68,-2.35,;11.22,-2.35,;12.56,-3.12,;12.56,-1.58,;9.68,-5.02,;10.45,-6.35,;-.55,1.73,;-.55,3.27,;-1.89,4.04,;-1.89,5.58,;-1.89,.96,)|
Fc1ccc(c(F)c1)-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(Cc5ccccc5)c4)c(=O)[nH]c1c23 |r|
Cc1cccc(c1)-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-2.22,5.29,;-3.55,4.52,;-4.89,5.29,;-6.22,4.52,;-7.56,5.29,;-8.89,4.52,;-10.22,5.29,;-11.56,4.52,;-11.56,2.98,;-10.22,2.21,;-8.89,2.98,;-6.22,2.98,;-4.89,2.21,;-3.55,2.98,;-2.22,2.21,;-2.22,.67,;-3.55,-.1,;-3.55,-1.64,;-2.22,-2.41,;-.89,-1.64,;.6,-2.04,;1.44,-.74,;2.98,-.74,;3.75,.59,;3.75,-2.08,;5.29,-2.08,;6.19,-.83,;7.66,-1.31,;7.66,-2.85,;6.19,-3.32,;8.9,-3.75,;8.9,-5.29,;10.31,-3.13,;11.56,-4.03,;.45,.67,;.45,2.21,;-.89,2.98,;-.89,4.52,;-.89,-.1,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)C4CCCCC4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)\C=C\CN)c([nH]c1=O)c23 |r,wD:25.26,(-2.27,5.29,;-3.6,4.52,;-4.93,5.29,;-6.27,4.52,;-7.6,5.29,;-8.93,4.52,;-10.27,5.29,;-11.6,4.52,;-11.6,2.98,;-10.27,2.21,;-8.93,2.98,;-6.27,2.98,;-4.93,2.21,;-3.6,2.98,;-2.27,2.21,;-2.27,.67,;-3.6,-.1,;-3.6,-1.64,;-2.27,-2.41,;-.93,-1.64,;.56,-2.04,;1.39,-.74,;2.93,-.74,;3.7,.59,;3.7,-2.08,;5.24,-2.08,;6.15,-.83,;7.61,-1.31,;7.61,-2.85,;6.15,-3.32,;8.86,-3.75,;8.86,-5.29,;10.27,-3.13,;10.27,-1.59,;11.6,-.82,;11.6,.72,;.4,.67,;.4,2.21,;-.93,2.98,;-.93,4.52,;-.93,-.1,)|
Cc1ccc(cc1)-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)\C=C\CO)c([nH]c1=O)c23 |r,wU:25.26,(-3.61,4.31,;-4.94,3.54,;-6.27,4.31,;-7.61,3.54,;-8.94,4.31,;-10.27,3.54,;-11.61,4.31,;-12.94,3.54,;-12.94,2,;-11.61,1.23,;-10.27,2,;-7.61,2,;-6.27,1.23,;-4.94,2,;-3.61,1.23,;-3.61,-.31,;-4.94,-1.08,;-4.94,-2.62,;-3.61,-3.39,;-2.27,-2.62,;-.79,-3.02,;.05,-1.73,;1.59,-1.73,;2.36,-.4,;2.36,-3.06,;3.9,-3.06,;4.81,-4.31,;6.27,-3.83,;6.27,-2.29,;4.81,-1.82,;7.61,-1.52,;7.61,.02,;8.94,-2.29,;10.27,-1.52,;11.61,-2.29,;12.94,-1.52,;-.94,-.31,;-.94,1.23,;-2.27,2,;-2.27,3.54,;-2.27,-1.08,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CN(C[C@@H]4O)C(=O)C=C)c([nH]c1=O)c23 |r,wU:29.32,wD:25.26,(-1.6,3.96,;-2.93,3.19,;-4.27,3.96,;-5.6,3.19,;-6.93,3.96,;-8.27,3.19,;-9.6,3.96,;-10.93,3.19,;-10.93,1.65,;-9.6,.88,;-8.27,1.65,;-5.6,1.65,;-4.27,.88,;-2.93,1.65,;-1.6,.88,;-1.6,-.66,;-2.93,-1.43,;-2.93,-2.97,;-1.6,-3.74,;-.26,-2.97,;1.22,-3.37,;2.06,-2.08,;3.6,-2.08,;4.37,-3.41,;4.37,-.74,;5.91,-.74,;6.82,-1.99,;8.28,-1.51,;8.28,.03,;6.82,.5,;6.34,1.97,;9.53,-2.42,;9.53,-3.96,;10.93,-1.79,;10.93,-.25,;1.07,-.66,;1.07,.88,;-.26,1.65,;-.26,3.19,;-.26,-1.43,)|
CN[C@@H](C)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:2.2,wD:10.12,(11.89,-3.02,;10.35,-3.02,;9.58,-4.35,;10.35,-5.69,;8.04,-4.35,;7.27,-5.69,;7.27,-3.02,;8.04,-1.68,;7.27,-.35,;5.73,-.35,;4.96,-1.68,;5.73,-3.02,;3.42,-1.68,;2.65,-.35,;3.42,.98,;1.11,-.35,;.27,-1.64,;-1.22,-1.24,;-2.55,-2.01,;-3.89,-1.24,;-3.89,.3,;-2.55,1.07,;-2.55,2.61,;-3.89,3.38,;-5.22,2.61,;-6.55,3.38,;-6.55,4.92,;-7.89,5.69,;-9.22,4.92,;-10.55,5.69,;-11.89,4.92,;-11.89,3.38,;-10.55,2.61,;-9.22,3.38,;-5.22,5.69,;-3.89,4.92,;-2.55,5.69,;-1.22,3.38,;-1.22,4.92,;.12,2.61,;.12,1.07,;-1.22,.3,)|
FC1(F)Oc2ccc(cc2O1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cc(ccn4)-c4ccccc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(Oc5ccccc5)c4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
CC(C)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)S(=O)(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.86,5.49,;-3.19,4.72,;-4.53,5.49,;-5.86,4.72,;-7.19,5.49,;-8.53,4.72,;-9.86,5.49,;-11.19,4.72,;-11.19,3.18,;-9.86,2.41,;-8.53,3.18,;-5.86,3.18,;-4.53,2.41,;-3.19,3.18,;-1.86,2.41,;-1.86,.87,;-3.19,.1,;-3.19,-1.44,;-1.86,-2.21,;-.52,-1.44,;1.33,-1.56,;1.95,-.16,;3.49,-.16,;4.26,1.18,;4.26,-1.49,;5.8,-1.49,;6.57,-.16,;8.11,-.16,;8.88,-1.49,;8.11,-2.83,;6.57,-2.83,;8.88,-4.16,;10.22,-3.39,;7.55,-4.93,;9.65,-5.49,;11.19,-5.49,;.81,.87,;.81,2.41,;-.52,3.18,;-.52,4.72,;-.52,.1,)|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1C1C(=O)Nc2c(sc3nccc1c23)C(=O)N[C@@H]1CCCN(C1)C(=O)\C=C\CNS(C)(=O)=O |r|
CCCc1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)C4CCC4)c(=O)[nH]c1c23 |r|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:5.7,(9.27,-2.83,;8.5,-1.49,;9.27,-.16,;8.5,1.18,;6.96,1.18,;6.19,-.16,;6.96,-1.49,;4.65,-.16,;3.88,-1.49,;4.65,-2.83,;2.34,-1.49,;1.71,-2.9,;-.14,-2.77,;-1.47,-3.54,;-2.81,-2.77,;-2.81,-1.23,;-1.47,-.46,;-1.47,1.08,;-2.81,1.85,;-4.14,1.08,;-5.47,1.85,;-5.47,3.39,;-6.81,4.16,;-8.14,3.39,;-9.48,4.16,;-10.81,3.39,;-10.81,1.85,;-9.48,1.08,;-8.14,1.85,;-4.14,4.16,;-2.81,3.39,;-1.47,4.16,;-.14,1.85,;-.14,3.39,;1.19,1.08,;1.19,-.46,;-.14,-1.23,)|
Cc1cc(ccc1Oc1ccccc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cncc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4cccnc4)c(=O)[nH]c1c23 |r|
CCS(=O)(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:9.11,(11.19,-4.16,;9.65,-4.16,;8.88,-2.83,;10.22,-2.06,;7.55,-3.6,;8.11,-1.49,;8.88,-.16,;8.11,1.18,;6.57,1.18,;5.8,-.16,;6.57,-1.49,;4.26,-.16,;3.49,-1.49,;4.26,-2.83,;1.95,-1.49,;1.33,-2.9,;-.52,-2.77,;-1.86,-3.54,;-3.19,-2.77,;-3.19,-1.23,;-1.86,-.46,;-1.86,1.08,;-3.19,1.85,;-4.53,1.08,;-5.86,1.85,;-5.86,3.39,;-7.19,4.16,;-8.53,3.39,;-9.86,4.16,;-11.19,3.39,;-11.19,1.85,;-9.86,1.08,;-8.53,1.85,;-4.53,4.16,;-3.19,3.39,;-1.86,4.16,;-.52,1.85,;-.52,3.39,;.81,1.08,;.81,-.46,;-.52,-1.23,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccn4)c(=O)[nH]c1c23 |r|
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)c(Cl)c4)c(=O)[nH]c1c23 |r|
CC(C)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:7.9,(8.31,-4.31,;9.08,-2.98,;10.62,-2.98,;8.31,-1.64,;9.08,-.31,;8.31,1.02,;6.77,1.02,;6,-.31,;6.77,-1.64,;4.46,-.31,;3.69,-1.64,;4.46,-2.98,;2.15,-1.64,;1.38,-2.98,;.05,-2.62,;-1.29,-3.39,;-2.62,-2.62,;-2.62,-1.08,;-1.29,-.31,;-1.29,1.23,;-2.62,2,;-3.95,1.23,;-5.29,2,;-5.29,3.54,;-6.62,4.31,;-7.95,3.54,;-9.29,4.31,;-10.62,3.54,;-10.62,2,;-9.29,1.23,;-7.95,2,;-3.95,4.31,;-2.62,3.54,;-1.29,4.31,;.05,2,;.05,3.54,;1.38,1.23,;1.38,-.31,;.05,-1.08,)|
F[C@H]1CN(C[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23)C(=O)C=C |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC(=O)[C@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.5,5.17,;-2.83,4.4,;-4.17,5.17,;-5.5,4.4,;-6.83,5.17,;-8.17,4.4,;-9.5,5.17,;-10.84,4.4,;-10.84,2.86,;-9.5,2.09,;-8.17,2.86,;-5.5,2.86,;-4.17,2.09,;-2.83,2.86,;-1.5,2.09,;-1.5,.55,;-2.83,-.22,;-2.83,-1.76,;-1.5,-2.53,;-.17,-1.76,;1.17,-2.11,;1.94,-.78,;3.48,-.77,;4.26,-2.09,;3.49,-3.43,;5.8,-2.09,;6.7,-.85,;8.17,-1.32,;8.17,-2.86,;6.7,-3.34,;9.5,-3.63,;9.5,-5.17,;10.84,-2.86,;10.84,-1.32,;1.17,.55,;1.17,2.09,;-.17,2.86,;-.17,4.4,;-.17,-.22,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC(=O)[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.5,5.17,;-2.83,4.4,;-4.17,5.17,;-5.5,4.4,;-6.83,5.17,;-8.17,4.4,;-9.5,5.17,;-10.84,4.4,;-10.84,2.86,;-9.5,2.09,;-8.17,2.86,;-5.5,2.86,;-4.17,2.09,;-2.83,2.86,;-1.5,2.09,;-1.5,.55,;-2.83,-.22,;-2.83,-1.76,;-1.5,-2.53,;-.17,-1.76,;1.17,-2.11,;1.94,-.78,;3.48,-.77,;4.26,-2.09,;3.49,-3.43,;5.8,-2.09,;6.7,-.85,;8.17,-1.32,;8.17,-2.86,;6.7,-3.34,;9.5,-3.63,;9.5,-5.17,;10.84,-2.86,;10.84,-1.32,;1.17,.55,;1.17,2.09,;-.17,2.86,;-.17,4.4,;-.17,-.22,)|
CNCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
C[C@@H](CO)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:1.0,wD:10.12,(10.23,-1.63,;9.46,-2.97,;10.23,-4.3,;11.77,-4.3,;7.92,-2.97,;7.15,-4.3,;7.15,-1.63,;7.92,-.3,;7.15,1.03,;5.61,1.03,;4.84,-.3,;5.61,-1.63,;3.3,-.3,;2.54,-1.64,;3.32,-2.97,;1,-1.65,;.23,-2.99,;-1.1,-2.63,;-2.44,-3.4,;-3.77,-2.63,;-3.77,-1.09,;-2.44,-.32,;-2.44,1.22,;-3.77,1.99,;-5.1,1.22,;-6.44,1.99,;-6.44,3.53,;-7.77,4.3,;-9.1,3.53,;-10.44,4.3,;-11.77,3.53,;-11.77,1.99,;-10.44,1.22,;-9.1,1.99,;-5.1,4.3,;-3.77,3.53,;-2.44,4.3,;-1.1,1.99,;-1.1,3.53,;.23,1.22,;.23,-.32,;-1.1,-1.09,)|
CO[C@H]1CN(C[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23)C(=O)C=C |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(\F)=C\CN)c([nH]c1=O)c23 |r,wU:25.26,(-2.82,3.49,;-4.15,2.72,;-5.48,3.49,;-6.82,2.72,;-8.15,3.49,;-9.49,2.72,;-10.82,3.49,;-12.15,2.72,;-12.15,1.18,;-10.82,.41,;-9.49,1.18,;-6.82,1.18,;-5.48,.41,;-4.15,1.18,;-2.82,.41,;-2.82,-1.13,;-4.15,-1.9,;-4.15,-3.44,;-2.82,-4.21,;-1.48,-3.44,;-.15,-3.8,;.62,-2.47,;2.16,-2.46,;2.94,-3.78,;2.92,-1.12,;4.46,-1.12,;5.23,-2.45,;6.77,-2.45,;7.54,-1.12,;6.77,.22,;5.23,.22,;7.54,1.55,;6.77,2.88,;9.07,1.55,;9.84,.22,;9.84,2.88,;11.38,2.88,;12.15,4.21,;-.15,-1.13,;-.15,.41,;-1.48,1.18,;-1.48,2.72,;-1.48,-1.9,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(\Cl)=C\CN)c([nH]c1=O)c23 |r,wU:25.26,(-2.96,3.6,;-4.29,2.83,;-5.63,3.6,;-6.96,2.83,;-8.29,3.6,;-9.63,2.83,;-10.96,3.6,;-12.3,2.83,;-12.3,1.29,;-10.96,.52,;-9.63,1.29,;-6.96,1.29,;-5.63,.52,;-4.29,1.29,;-2.96,.52,;-2.96,-1.02,;-4.29,-1.79,;-4.29,-3.33,;-2.96,-4.1,;-1.63,-3.33,;-.16,-3.81,;.74,-2.56,;2.28,-2.56,;3.05,-3.9,;3.05,-1.23,;4.59,-1.23,;5.36,-2.56,;6.91,-2.56,;7.68,-1.23,;6.91,.1,;5.36,.1,;7.68,1.44,;6.91,2.77,;9.22,1.44,;9.99,.1,;9.99,2.77,;11.53,2.77,;12.3,4.1,;-.29,-1.02,;-.29,.52,;-1.63,1.29,;-1.63,2.83,;-1.63,-1.79,)|
CNCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1cccc(c1)-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Cc1ccccc1-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)c([nH]c1=O)c23 |r,wU:37.39,42.46,wD:25.26,(-3.94,5.44,;-5.27,4.67,;-6.6,5.44,;-7.94,4.67,;-9.27,5.44,;-10.6,4.67,;-10.6,3.13,;-11.94,2.36,;-13.27,3.13,;-13.27,4.67,;-11.94,5.44,;-7.94,3.13,;-6.6,2.36,;-5.27,3.13,;-3.94,2.36,;-3.94,.82,;-5.27,.05,;-5.27,-1.49,;-3.94,-2.26,;-2.6,-1.49,;-1.14,-1.97,;-.23,-.72,;1.31,-.75,;2.1,.57,;2.05,-2.09,;3.59,-2.09,;4.5,-.85,;5.96,-1.32,;5.96,-2.86,;4.5,-3.34,;7.05,-3.95,;6.65,-5.44,;8.54,-3.55,;8.94,-2.07,;10.43,-1.67,;10.82,-.18,;9.86,1.02,;10.69,2.31,;10.3,3.79,;11.38,4.88,;12.87,4.49,;13.27,3,;12.18,1.91,;12.26,.37,;-1.27,.82,;-1.27,2.36,;-2.6,3.13,;-2.6,4.67,;-2.6,.05,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4C[C@@H](O)CN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:24.25,wD:22.22,(-10.47,4.41,;-9.14,3.64,;-9.14,2.1,;-7.81,4.41,;-6.47,3.64,;-6.47,2.1,;-5.14,1.33,;-3.8,2.1,;-3.8,3.64,;-2.47,4.41,;-5.14,4.41,;-2.47,1.33,;-2.47,-.21,;-3.8,-.98,;-3.8,-2.52,;-2.47,-3.29,;-1.14,-2.52,;.33,-2.99,;1.23,-1.75,;2.77,-1.75,;3.54,-3.08,;3.54,-.41,;5.08,-.41,;5.85,.92,;7.39,.92,;8.16,2.25,;8.16,-.41,;7.39,-1.75,;5.85,-1.75,;8.16,-3.08,;7.39,-4.41,;9.7,-3.08,;10.47,-1.75,;.2,-.21,;.2,1.33,;-1.14,2.1,;-1.14,3.64,;-1.14,-.98,)|
Clc1cc(ccc1Oc1ccccc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
O=C(N[C@@H]1CCCN(C1)C(=O)C(=C\C1CC1)\C#N)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(OC5CCCCC5)c4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(OC5CCCC5)c4)c(=O)[nH]c1c23 |r|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)\C=C\CN(C)C)c([nH]c1=O)c23 |r,wD:22.22,(-12.83,4.78,;-11.49,4.01,;-11.49,2.47,;-10.16,4.78,;-8.83,4.01,;-8.83,2.47,;-7.49,1.7,;-6.16,2.47,;-6.16,4.01,;-4.83,4.78,;-7.49,4.78,;-4.83,1.7,;-4.83,.16,;-6.16,-.61,;-6.16,-2.15,;-4.83,-2.92,;-3.49,-2.15,;-2.03,-2.63,;-1.12,-1.38,;.42,-1.38,;1.19,-2.72,;1.19,-.05,;2.73,-.05,;3.63,1.2,;5.1,.72,;5.1,-.82,;3.63,-1.3,;6.19,-1.91,;5.79,-3.4,;7.67,-1.51,;8.76,-2.6,;10.25,-2.2,;11.34,-3.29,;12.83,-2.89,;10.94,-4.78,;-2.16,.16,;-2.16,1.7,;-3.49,2.47,;-3.49,4.01,;-3.49,-.61,)|
FC(F)(F)c1ccccc1-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C[C@H](CO)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:10.12,1.0,(10.36,-3.1,;9.59,-4.43,;10.36,-5.77,;11.9,-5.77,;8.05,-4.43,;7.28,-5.77,;7.28,-3.1,;8.05,-1.77,;7.28,-.43,;5.74,-.43,;4.97,-1.77,;5.74,-3.1,;3.43,-1.77,;2.68,-.42,;3.48,.9,;1.14,-.39,;.24,-1.64,;-1.23,-1.16,;-2.56,-1.93,;-3.9,-1.16,;-3.9,.38,;-2.56,1.15,;-2.56,2.69,;-3.9,3.46,;-5.23,2.69,;-6.56,3.46,;-6.56,5,;-7.9,5.77,;-9.23,5,;-9.23,3.46,;-10.56,2.69,;-11.9,3.46,;-11.9,5,;-10.56,5.77,;-5.23,5.77,;-3.9,5,;-2.56,5.77,;-1.23,3.46,;-1.23,5,;.11,2.69,;.11,1.15,;-1.23,.38,)|
CC(C)Oc1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
CC(=O)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
FC(F)(F)Oc1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)C4CC4)c(=O)[nH]c1c23 |r|
CN(C)C\C=C\C(=O)C1CNC[C@@H]1NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
COC[C@@H](C)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:11.13,3.3,(12.29,-5.08,;11.52,-3.75,;9.98,-3.75,;9.21,-2.41,;9.98,-1.08,;7.67,-2.41,;6.9,-3.75,;6.9,-1.08,;7.67,.25,;6.9,1.59,;5.36,1.59,;4.59,.25,;5.36,-1.08,;3.05,.25,;2.28,-1.08,;3.05,-2.41,;.74,-1.08,;-.16,-2.33,;-1.63,-1.85,;-2.96,-2.62,;-4.29,-1.85,;-4.29,-.31,;-2.96,.46,;-2.96,2,;-4.29,2.77,;-5.63,2,;-6.96,2.77,;-6.96,4.31,;-8.29,5.08,;-9.63,4.31,;-10.96,5.08,;-12.29,4.31,;-12.29,2.77,;-10.96,2,;-9.63,2.77,;-5.63,5.08,;-4.29,4.31,;-2.96,5.08,;-1.63,2.77,;-1.63,4.31,;-.29,2,;-.29,.46,;-1.63,-.31,)|
CN(C)CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)c(Cl)c4)c(=O)[nH]c1c23 |r|
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
OC1CN(CCC1NC(=O)c1sc2nccc3n(-c4ccc(cc4)-c4ccccc4)c(=O)[nH]c1c23)C(=O)C=C
CNCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)c(Cl)c4)c(=O)[nH]c1c23 |r|
COCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Clc1cc(ccc1Oc1ccccc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCNC4)c([nH]c1=O)c23 |r|
O=C(NC1CCC(=O)NC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
F[C@H]1CNC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Cc1ccc(cc1)-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Clc1cc(ccc1Oc1ccccc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)c(Cl)c4)c(=O)[nH]c1c23 |r|
Cc1cc(ccc1Oc1ccccc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Cc1ccc(cc1Cl)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
O[C@H]1CNC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(cc4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CN1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CO[C@H]1CNC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O[C@@H]1C[C@H](CN(C1)C(=O)C=C)NC(=O)c1sc2nccc3n(-c4ccc(cc4)-c4ccccc4)c(=O)[nH]c1c23 |r|
OC\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)C4CCC4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCN(C1)C#N)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
COCCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(NC1CCN(CC1)C#N)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
Cc1cc(Oc2ccccc2)cnc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:25.26,(-3.32,-.21,;-3.32,1.33,;-4.65,2.1,;-4.65,3.64,;-5.98,4.41,;-7.32,3.64,;-8.65,4.41,;-9.98,3.64,;-9.98,2.1,;-8.65,1.33,;-7.32,2.1,;-3.32,4.41,;-1.98,3.64,;-1.98,2.1,;-.65,1.33,;-.65,-.21,;-1.98,-.98,;-1.98,-2.52,;-.65,-3.29,;.68,-2.52,;2.15,-2.99,;3.05,-1.75,;4.59,-1.75,;5.36,-.41,;5.36,-3.08,;6.9,-3.08,;7.67,-1.75,;9.21,-1.75,;9.98,-3.08,;9.21,-4.41,;7.67,-4.41,;2.02,-.21,;2.02,1.33,;.68,2.1,;.68,3.64,;.68,-.98,)|
OC\C=C\C(=O)N1CCC(CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
COCCC(=O)N1CCC(CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(OC5CCC5)c4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCNC1)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |(-1.42,3.85,;-2.75,3.08,;-4.09,3.85,;-5.42,3.08,;-6.75,3.85,;-8.09,3.08,;-9.42,3.85,;-10.75,3.08,;-10.75,1.54,;-9.42,.77,;-8.09,1.54,;-5.42,1.54,;-4.09,.77,;-2.75,1.54,;-1.42,.77,;-1.42,-.77,;-2.75,-1.54,;-2.75,-3.08,;-1.42,-3.85,;-.09,-3.08,;1.38,-3.56,;2.28,-2.31,;3.82,-2.31,;4.59,-.98,;3.82,.36,;4.59,1.69,;6.13,1.69,;6.9,.36,;6.13,-.98,;8.44,.36,;9.21,1.69,;9.21,-.98,;10.75,-.98,;1.25,-.77,;1.25,.77,;-.09,1.54,;-.09,3.08,;-.09,-1.54,)|
CNCC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCNC1)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cccc(c4)C4CCC4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(n4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1cc(OC2CCC2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCNC4)c([nH]c1=O)c23 |(-3.71,-.77,;-3.71,.77,;-5.04,1.54,;-5.04,3.08,;-6.37,3.85,;-7.71,3.08,;-9.2,3.48,;-9.59,1.99,;-8.11,1.59,;-3.71,3.85,;-2.37,3.08,;-2.37,1.54,;-1.04,.77,;-1.04,-.77,;-2.37,-1.54,;-2.37,-3.08,;-1.04,-3.85,;.29,-3.08,;1.76,-3.56,;2.66,-2.31,;4.2,-2.31,;4.97,-3.64,;4.97,-.98,;6.51,-.98,;7.28,-2.31,;8.82,-2.31,;9.59,-.98,;8.82,.36,;7.28,.36,;1.63,-.77,;1.63,.77,;.29,1.54,;.29,3.08,;.29,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC4CCN(CC4)C(=O)C=C)c([nH]c1=O)c23 |(-.65,3.6,;-1.98,2.83,;-3.32,3.6,;-4.65,2.83,;-5.98,3.6,;-7.32,2.83,;-8.65,3.6,;-9.98,2.83,;-9.98,1.29,;-8.65,.52,;-7.32,1.29,;-4.65,1.29,;-3.32,.52,;-1.98,1.29,;-.65,.52,;-.65,-1.02,;-1.98,-1.79,;-1.98,-3.33,;-.65,-4.1,;.68,-3.33,;2.15,-3.81,;3.05,-2.56,;4.59,-2.56,;5.36,-1.23,;6.9,-1.23,;7.67,.1,;6.9,1.44,;5.36,1.44,;4.59,.1,;7.67,2.77,;6.9,4.1,;9.21,2.77,;9.98,1.44,;2.02,-1.02,;2.02,.52,;.68,1.29,;.68,2.83,;.68,-1.79,)|
Cc1ccc(cc1C(F)(F)F)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)c([nH]c1=O)c23 |r,wU:22.22,35.36,40.43,(-13.22,3.12,;-11.89,2.35,;-11.89,.81,;-10.55,3.12,;-9.22,2.35,;-9.22,.81,;-7.89,.04,;-6.55,.81,;-6.55,2.35,;-5.22,3.12,;-7.89,3.12,;-5.22,.04,;-5.22,-1.5,;-6.55,-2.27,;-6.55,-3.81,;-5.22,-4.58,;-3.88,-3.81,;-2.42,-4.29,;-1.52,-3.04,;.03,-3.04,;.8,-1.71,;.8,-4.37,;2.34,-4.37,;3.11,-5.71,;4.65,-5.71,;5.42,-4.37,;4.65,-3.04,;3.11,-3.04,;5.42,-1.71,;4.65,-.37,;6.96,-1.71,;7.73,-.37,;9.27,-.37,;10.04,.96,;9.41,2.37,;10.55,3.4,;10.55,4.94,;11.89,5.71,;13.22,4.94,;13.22,3.4,;11.89,2.63,;11.57,1.12,;-2.55,-1.5,;-2.55,.04,;-3.88,.81,;-3.88,2.35,;-3.88,-2.27,)|
Cc1cc(OC2CCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:23.24,(-2.19,3.85,;-3.53,3.08,;-4.86,3.85,;-6.2,3.08,;-7.53,3.85,;-8.86,3.08,;-10.35,3.48,;-10.75,1.99,;-9.26,1.59,;-6.2,1.54,;-4.86,.77,;-3.53,1.54,;-2.19,.77,;-2.19,-.77,;-3.53,-1.54,;-3.53,-3.08,;-2.19,-3.85,;-.86,-3.08,;.6,-3.56,;1.51,-2.31,;3.05,-2.31,;3.82,-3.64,;3.82,-.98,;5.36,-.98,;6.13,-2.31,;7.67,-2.31,;8.44,-.98,;7.67,.36,;6.13,.36,;8.44,1.69,;7.67,3.02,;9.98,1.69,;10.75,3.02,;.47,-.77,;.47,.77,;-.86,1.54,;-.86,3.08,;-.86,-1.54,)|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cc(ccn4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CC(C)(C)OC(=O)N1C[C@H](O)C[C@H](C1)NC(=O)c1sc2nccc3n(-c4cc(ccn4)-c4ccccc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC5COC5)cc4)c(=O)[nH]c1c23 |r|
O=C(NC1CCCNC1)c1sc2nccc3n(-c4cccc(OC5CCCC5)c4)c(=O)[nH]c1c23
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@H]4CN(C[C@H]4O)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,26.28,(-10.96,3.9,;-9.63,3.13,;-9.63,1.59,;-8.3,3.9,;-6.96,3.13,;-6.96,1.59,;-5.63,.82,;-4.29,1.59,;-4.29,3.13,;-2.96,3.9,;-5.63,3.9,;-2.96,.82,;-2.96,-.72,;-4.29,-1.49,;-4.29,-3.03,;-2.96,-3.8,;-1.63,-3.03,;-.29,-3.8,;.83,-2.02,;2.37,-2.02,;3.14,-3.36,;3.14,-.69,;4.68,-.69,;5.58,-1.93,;7.05,-1.46,;7.05,.08,;5.58,.56,;5.11,2.02,;8.3,-2.36,;8.3,-3.9,;9.63,-1.59,;10.96,-2.36,;-.29,-.72,;-.29,.82,;-1.63,1.59,;-1.63,3.13,;-1.63,-1.49,)|
O[C@@H]1CNCC[C@H]1NC(=O)c1sc2nccc3n(-c4cc(ccn4)-c4ccccc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cccc(OC5CCCCC5)c4)c(=O)[nH]c1c23 |r|
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2sc3nccc4n(-c5ccc(cc5)-c5ccccc5)c(=O)[nH]c2c34)[C@@H](O)C1 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cncc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
COc1ncc(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
FC(F)(F)Oc1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cccc(OC5CCC5)c4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cccc(c4)-c4ccccn4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cccc(n4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1cc(OC(F)(F)F)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:23.23,(-2.47,3.86,;-3.85,3.07,;-5.18,3.84,;-6.51,3.07,;-7.85,3.84,;-9.18,3.07,;-10.52,3.84,;-9.18,1.53,;-10.52,2.3,;-6.51,1.53,;-5.18,.76,;-3.85,1.53,;-2.51,.76,;-2.51,-.78,;-3.85,-1.55,;-3.85,-3.09,;-2.51,-3.86,;-1.18,-3.09,;.15,-3.86,;1.28,-2.09,;2.82,-2.09,;3.59,-3.42,;3.59,-.75,;5.13,-.75,;5.9,-2.09,;7.44,-2.09,;8.21,-.75,;7.44,.58,;5.9,.58,;8.21,1.91,;7.44,3.25,;9.75,1.91,;10.52,3.25,;.15,-.78,;.15,.76,;-1.18,1.53,;-1.18,3.07,;-1.18,-1.55,)|
CC(C)(C)OC(=O)N1C[C@H](F)[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(NC1CCCNC1)c1sc2nccc3n(-c4ccc(OC5CCC5)cc4)c(=O)[nH]c1c23
CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
CC(C)(C)OC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(NC1CCCNC1)c1sc2nccc3n(-c4cccc(c4)C4CCCCC4)c(=O)[nH]c1c23
CC(C)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccncc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)C4COC4)c(=O)[nH]c1c23 |r|
CC(C)Oc1ccc(cc1C)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccnc(c4)C4CCC4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(Oc5ccccc5)n4)c(=O)[nH]c1c23 |r|
FC1(F)Oc2ccc(cc2O1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CC(C)Oc1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CC(C)(C)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
CO[C@H]1CN(C[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23)C(=O)OC(C)(C)C |r|
CC(C)Oc1ccc(C)c(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-10.53,2.41,;-9.19,3.18,;-9.19,4.72,;-7.86,2.41,;-6.53,3.18,;-6.53,4.72,;-5.19,5.49,;-3.86,4.72,;-2.52,5.49,;-3.86,3.18,;-5.19,2.41,;-2.52,2.41,;-2.52,.87,;-3.86,.1,;-3.86,-1.44,;-2.52,-2.21,;-1.19,-1.44,;.3,-1.84,;1.29,-.16,;2.83,-.16,;3.6,1.18,;3.6,-1.49,;5.14,-1.49,;5.91,-.16,;7.45,-.16,;8.22,-1.49,;7.45,-2.83,;5.91,-2.83,;8.22,-4.16,;7.45,-5.49,;9.76,-4.16,;10.53,-2.83,;.14,.87,;.14,2.41,;-1.19,3.18,;-1.19,4.72,;-1.19,.1,)|
CC(C)(C)S(=O)(=O)c1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Oc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CC(=O)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CC(C)Oc1ccc(C)c(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:22.22,(-8.71,-1.23,;-7.37,-.46,;-6.04,-1.23,;-7.37,1.08,;-6.04,1.85,;-6.04,3.39,;-4.7,4.16,;-3.37,3.39,;-2.04,4.16,;-3.37,1.85,;-4.7,1.08,;-2.04,1.08,;-2.04,-.46,;-3.37,-1.23,;-3.37,-2.77,;-2.04,-3.54,;-.7,-2.77,;.78,-3.17,;1.78,-1.49,;3.32,-1.49,;4.09,-.16,;4.09,-2.83,;5.63,-2.83,;6.4,-1.49,;7.94,-1.49,;8.71,-2.83,;7.94,-4.16,;6.4,-4.16,;.63,-.46,;.63,1.08,;-.7,1.85,;-.7,3.39,;-.7,-1.23,)|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cccc(Oc5ccccc5)n4)c(=O)[nH]c1c23 |r|
CC(C)(C)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
O=C(NC1CCCNC1)c1sc2nccc3n(-c4cccc(c4)-c4ccncc4)c(=O)[nH]c1c23
CC(C)(C)OC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)C(C)(C)C)c(=O)[nH]c1c23 |r|
CC(=O)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)OC(C)(C)C)c([nH]c1=O)c23 |r|
CC(C)(C)S(=O)(=O)c1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CC(C)(C)OC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(cc4)S(=O)(=O)C(C)(C)C)c(=O)[nH]c1c23 |r|
CC(C)(C)OC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC(C)(C)C)cc4)c(=O)[nH]c1c23 |r|
CC(C)(C)OC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc5OC(F)(F)Oc5c4)c(=O)[nH]c1c23 |r|
CC(C)(C)OC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC5CCC5)nc4)c(=O)[nH]c1c23 |r|
O[C@@H]1CCN(C[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23)C(=O)C=C |r|
Cc1nc(Oc2ccccc2)cnc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:25.26,(-.68,4.19,;-2.01,3.42,;-3.34,4.19,;-4.68,3.42,;-6.01,4.19,;-7.34,3.42,;-8.68,4.19,;-10.01,3.42,;-10.01,1.88,;-8.68,1.11,;-7.34,1.88,;-4.68,1.88,;-3.34,1.11,;-2.01,1.88,;-.68,1.11,;-.68,-.43,;-2.01,-1.2,;-2.01,-2.74,;-.68,-3.51,;.66,-2.74,;2.15,-3.14,;3.08,-1.52,;4.62,-1.52,;5.39,-.19,;5.39,-2.85,;6.93,-2.85,;7.7,-1.52,;9.24,-1.52,;10.01,-2.85,;9.24,-4.19,;7.7,-4.19,;1.99,-.43,;1.99,1.11,;.66,1.88,;.66,3.42,;.66,-1.2,)|
Cc1nc(Oc2ccccc2)cnc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.83,5.52,;-3.16,4.75,;-4.5,5.52,;-5.83,4.75,;-7.16,5.52,;-8.5,4.75,;-9.83,5.52,;-11.17,4.75,;-11.17,3.21,;-9.83,2.44,;-8.5,3.21,;-5.83,3.21,;-4.5,2.44,;-3.16,3.21,;-1.83,2.44,;-1.83,.9,;-3.16,.13,;-3.16,-1.41,;-1.83,-2.18,;-.5,-1.41,;.99,-1.81,;1.93,-.19,;3.47,-.19,;4.24,1.15,;4.24,-1.52,;5.78,-1.52,;6.55,-.19,;8.09,-.19,;8.86,-1.52,;8.09,-2.85,;6.55,-2.85,;8.86,-4.19,;8.09,-5.52,;10.4,-4.19,;11.17,-2.85,;.84,.9,;.84,2.44,;-.5,3.21,;-.5,4.75,;-.5,.13,)|
O[C@@H]1CCNC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O[C@@H]1CNCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(cc4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-4.48,-.77,;-4.48,.77,;-5.82,1.54,;-5.82,3.08,;-7.15,3.85,;-8.48,3.08,;-9.82,3.85,;-11.15,3.08,;-11.15,1.54,;-9.82,.77,;-8.48,1.54,;-4.48,3.85,;-3.15,3.08,;-3.15,1.54,;-1.82,.77,;-1.82,-.77,;-3.15,-1.54,;-3.15,-3.08,;-1.82,-3.85,;-.48,-3.08,;1.01,-3.48,;1.94,-1.86,;3.48,-1.86,;4.25,-3.19,;4.25,-.53,;5.79,-.53,;6.56,-1.86,;8.1,-1.86,;8.87,-.53,;8.1,.81,;6.56,.81,;8.87,2.14,;8.1,3.48,;10.41,2.14,;11.15,3.43,;.85,-.77,;.85,.77,;-.48,1.54,;-.48,3.08,;-.48,-1.54,)|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-4.48,-.77,;-4.48,.77,;-5.82,1.54,;-5.82,3.08,;-7.15,3.85,;-8.48,3.08,;-9.82,3.85,;-11.15,3.08,;-11.15,1.54,;-9.82,.77,;-8.48,1.54,;-4.48,3.85,;-3.15,3.08,;-3.15,1.54,;-1.82,.77,;-1.82,-.77,;-3.15,-1.54,;-3.15,-3.08,;-1.82,-3.85,;-.48,-3.08,;1.01,-3.48,;1.94,-1.86,;3.48,-1.86,;4.25,-3.19,;4.25,-.53,;5.79,-.53,;6.56,-1.86,;8.1,-1.86,;8.87,-.53,;8.1,.81,;6.56,.81,;8.87,2.14,;8.1,3.48,;10.41,2.14,;11.15,3.43,;.85,-.77,;.85,.77,;-.48,1.54,;-.48,3.08,;-.48,-1.54,)|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-4.99,-.77,;-4.99,.77,;-6.32,1.54,;-6.32,3.08,;-7.66,3.85,;-8.99,3.08,;-10.32,3.85,;-11.66,3.08,;-11.66,1.54,;-10.32,.77,;-8.99,1.54,;-4.99,3.85,;-3.65,3.08,;-3.65,1.54,;-2.32,.77,;-2.32,-.77,;-3.65,-1.54,;-3.65,-3.08,;-2.32,-3.85,;-.99,-3.08,;.5,-3.48,;1.44,-1.86,;2.98,-1.86,;3.75,-3.19,;3.75,-.53,;5.29,-.53,;6.19,-1.77,;7.66,-1.3,;7.66,.24,;6.19,.72,;8.99,1.01,;8.99,2.55,;10.32,.24,;11.66,1.01,;.35,-.77,;.35,.77,;-.99,1.54,;-.99,3.08,;-.99,-1.54,)|
Cc1nc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-4.32,.44,;-4.32,1.98,;-5.65,2.75,;-5.65,4.29,;-6.99,5.06,;-8.32,4.29,;-9.66,5.06,;-10.99,4.29,;-10.99,2.75,;-9.66,1.98,;-8.32,2.75,;-4.32,5.06,;-2.99,4.29,;-2.99,2.75,;-1.65,1.98,;-1.65,.44,;-2.99,-.33,;-2.99,-1.87,;-1.65,-2.64,;-.32,-1.87,;1.17,-2.27,;2.1,-.65,;3.64,-.65,;4.41,.69,;4.41,-1.98,;5.95,-1.98,;6.86,-.74,;8.32,-1.21,;8.32,-2.75,;6.86,-3.23,;9.66,-3.52,;9.66,-5.06,;10.99,-2.75,;10.99,-1.21,;1.01,.44,;1.01,1.98,;-.32,2.75,;-.32,4.29,;-.32,-.33,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ncc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-4.32,.44,;-4.32,1.98,;-5.65,2.75,;-5.65,4.29,;-6.99,5.06,;-8.32,4.29,;-9.66,5.06,;-10.99,4.29,;-10.99,2.75,;-9.66,1.98,;-8.32,2.75,;-4.32,5.06,;-2.99,4.29,;-2.99,2.75,;-1.65,1.98,;-1.65,.44,;-2.99,-.33,;-2.99,-1.87,;-1.65,-2.64,;-.32,-1.87,;1.17,-2.27,;2.1,-.65,;3.64,-.65,;4.41,.69,;4.41,-1.98,;5.95,-1.98,;6.86,-.74,;8.32,-1.21,;8.32,-2.75,;6.86,-3.23,;9.66,-3.52,;9.66,-5.06,;10.99,-2.75,;10.99,-1.21,;1.01,.44,;1.01,1.98,;-.32,2.75,;-.32,4.29,;-.32,-.33,)|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-4.56,-.83,;-4.56,.77,;-5.89,1.54,;-5.89,3.08,;-7.23,3.85,;-8.56,3.08,;-9.89,3.85,;-11.23,3.08,;-11.23,1.54,;-9.89,.77,;-8.56,1.54,;-4.56,3.85,;-3.22,3.08,;-3.22,1.54,;-1.89,.77,;-1.89,-.77,;-3.22,-1.54,;-3.22,-3.08,;-1.89,-3.85,;-.56,-3.08,;.93,-3.48,;1.87,-1.86,;3.4,-1.86,;4.17,-3.19,;4.17,-.53,;5.71,-.53,;6.48,-1.86,;8.02,-1.86,;8.79,-.53,;8.02,.81,;6.48,.81,;8.79,2.14,;8.02,3.48,;10.33,2.14,;11.23,3.69,;.78,-.77,;.78,.77,;-.56,1.54,;-.56,3.08,;-.56,-1.54,)|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4COC[C@@H]4C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-4.56,-.83,;-4.56,.77,;-5.89,1.54,;-5.89,3.08,;-7.23,3.85,;-8.56,3.08,;-9.89,3.85,;-11.23,3.08,;-11.23,1.54,;-9.89,.77,;-8.56,1.54,;-4.56,3.85,;-3.22,3.08,;-3.22,1.54,;-1.89,.77,;-1.89,-.77,;-3.22,-1.54,;-3.22,-3.08,;-1.89,-3.85,;-.56,-3.08,;.93,-3.48,;1.87,-1.86,;3.4,-1.86,;4.17,-3.19,;4.17,-.53,;5.71,-.53,;6.62,-1.77,;8.08,-1.3,;8.08,.24,;6.62,.72,;6.14,2.19,;4.64,2.51,;7.17,3.33,;6.7,4.79,;.78,-.77,;.78,.77,;-.56,1.54,;-.56,3.08,;-.56,-1.54,)|
CC(C)Cc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-9.16,1.88,;-9.16,3.42,;-10.5,4.19,;-7.83,4.19,;-6.5,3.42,;-6.5,1.88,;-5.16,1.11,;-5.16,-.49,;-3.83,1.88,;-3.83,3.42,;-5.16,4.19,;-2.5,1.11,;-2.5,-.43,;-3.83,-1.2,;-3.83,-2.74,;-2.5,-3.51,;-1.16,-2.74,;.32,-3.14,;1.26,-1.52,;2.8,-1.52,;3.57,-2.85,;3.57,-.19,;5.11,-.19,;5.88,1.15,;7.42,1.15,;8.19,-.19,;7.42,-1.52,;5.88,-1.52,;8.19,-2.85,;7.42,-4.19,;9.73,-2.85,;10.5,-1.52,;.17,-.43,;.17,1.11,;-1.16,1.88,;-1.16,3.42,;-1.16,-1.2,)|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-4.47,-.23,;-4.47,1.31,;-5.8,2.08,;-5.8,3.62,;-7.14,4.39,;-8.47,3.62,;-9.81,4.39,;-11.14,3.62,;-11.14,2.08,;-9.81,1.31,;-8.47,2.08,;-4.47,4.39,;-3.14,3.62,;-3.14,2.08,;-1.8,1.31,;-1.8,-.23,;-3.14,-1,;-3.14,-2.54,;-1.8,-3.31,;-.47,-2.54,;1.02,-2.94,;1.9,-1.72,;3.44,-1.72,;4.21,-3.06,;4.21,-.39,;5.75,-.39,;6.52,.95,;8.06,.95,;8.83,-.39,;8.06,-1.72,;6.52,-1.72,;8.83,-3.06,;8.06,-4.39,;10.37,-3.06,;11.14,-1.72,;.86,-.23,;.86,1.31,;-.47,2.08,;-.47,3.62,;-.47,-1,)|
CC(C)Cc1cc(C)c(cn1)N1C(=O)Cc2c(sc3nccc1c23)C(=O)N[C@@H]1CCCN(C1)C(=O)C=C |r|
Cc1cc(OC2CCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:23.24,(-1.8,6.31,;-3.13,5.54,;-4.47,6.31,;-5.8,5.54,;-7.14,6.31,;-8.47,5.54,;-9.96,5.93,;-10.36,4.45,;-8.87,4.05,;-5.8,4,;-4.47,3.23,;-3.13,4,;-1.8,3.23,;-1.8,1.69,;-3.13,.92,;-3.13,-.62,;-1.8,-1.39,;-.47,-.62,;1.14,-.89,;1.88,.36,;3.42,.36,;4.19,1.7,;4.19,-.97,;5.73,-.97,;6.5,.36,;8.04,.36,;8.82,-.97,;8.04,-2.3,;6.5,-2.3,;8.82,-3.64,;10.36,-3.64,;8.04,-4.97,;8.82,-6.31,;.87,1.69,;.87,3.23,;-.47,4,;-.47,5.54,;-.47,.92,)|
Fc1cccc(c1F)-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
O[C@H]1C[C@H](CN(C1)C(=O)C=C)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4cccc(F)c4F)c(=O)[nH]c1c23 |r|
Cc1cc(OC2CCOCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.79,4.31,;-3.13,3.54,;-4.46,4.31,;-5.8,3.54,;-7.13,4.31,;-8.46,3.54,;-9.8,4.31,;-11.13,3.54,;-11.13,2,;-9.8,1.23,;-8.46,2,;-5.8,2,;-4.46,1.23,;-3.13,2,;-1.79,1.23,;-1.79,-.31,;-3.13,-1.08,;-3.13,-2.62,;-1.79,-3.39,;-.46,-2.62,;1.14,-2.89,;1.89,-1.64,;3.43,-1.64,;4.2,-.3,;4.2,-2.97,;5.74,-2.97,;6.51,-4.31,;8.05,-4.31,;8.82,-2.97,;8.05,-1.64,;6.51,-1.64,;8.82,-.3,;8.05,1.03,;10.36,-.3,;11.13,-1.64,;.87,-.31,;.87,1.23,;-.46,2,;-.46,3.54,;-.46,-1.08,)|
Cc1c(nccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23)-c1ccccc1 |r,wD:18.18,(-5.13,1.02,;-5.13,2.56,;-6.46,3.33,;-6.46,4.87,;-5.13,5.64,;-3.8,4.87,;-3.8,3.33,;-2.46,2.56,;-2.46,1.02,;-3.8,.25,;-3.8,-1.29,;-2.46,-2.06,;-1.13,-1.29,;.48,-1.56,;1.22,-.3,;2.76,-.3,;3.53,1.03,;3.53,-1.64,;5.07,-1.64,;5.84,-.3,;7.38,-.3,;8.15,-1.64,;7.38,-2.97,;5.84,-2.97,;8.15,-4.31,;7.38,-5.64,;9.69,-4.31,;10.46,-2.97,;.21,1.02,;.21,2.56,;-1.13,3.33,;-1.13,4.87,;-1.13,.25,;-7.8,2.56,;-9.13,3.33,;-10.46,2.56,;-10.46,1.02,;-9.13,.25,;-7.8,1.02,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)C4CCCCC4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cnnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CO[C@H]1C[C@H](CN(C1)C(=O)C=C)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4cccc(F)c4F)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
CC(=O)N1CCC[C@H]1\C=C(/C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.8,wD:18.21,(12.31,1.52,;11.22,.43,;9.73,.83,;11.62,-1.06,;13.08,-1.53,;13.08,-3.07,;11.62,-3.55,;10.72,-2.3,;9.18,-2.3,;8.41,-3.64,;9.18,-4.97,;9.95,-6.31,;6.87,-3.64,;6.1,-4.97,;6.1,-2.3,;6.87,-.97,;6.1,.36,;4.56,.36,;3.79,-.97,;4.56,-2.3,;2.25,-.97,;1.48,.36,;2.25,1.7,;-.06,.36,;-.81,-.89,;-2.42,-.62,;-3.75,-1.39,;-5.08,-.62,;-5.08,.92,;-3.75,1.69,;-3.75,3.23,;-5.08,4,;-6.42,3.23,;-7.75,4,;-7.75,5.54,;-9.08,6.31,;-10.42,5.54,;-10.42,4,;-11.75,3.23,;-13.08,4,;-13.08,5.54,;-11.75,6.31,;-6.42,6.31,;-5.08,5.54,;-3.75,6.31,;-2.42,4,;-2.42,5.54,;-1.08,3.23,;-1.08,1.69,;-2.42,.92,)|
Cc1nc(OC2CCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:23.24,(-4.47,1.69,;-4.47,3.23,;-5.8,4,;-5.8,5.54,;-7.14,6.31,;-8.47,5.54,;-9.96,5.93,;-10.36,4.45,;-8.87,4.05,;-4.47,6.31,;-3.13,5.54,;-3.13,4,;-1.8,3.23,;-1.8,1.69,;-3.13,.92,;-3.13,-.62,;-1.8,-1.39,;-.47,-.62,;1.14,-.89,;1.88,.36,;3.42,.36,;4.19,1.7,;4.19,-.97,;5.73,-.97,;6.5,.36,;8.04,.36,;8.82,-.97,;8.04,-2.3,;6.5,-2.3,;8.82,-3.64,;10.36,-3.64,;8.04,-4.97,;8.82,-6.31,;.87,1.69,;.87,3.23,;-.47,4,;-.47,5.54,;-.47,.92,)|
CC(=O)N1CCC[C@@H]1\C=C(/C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:18.21,7.8,(12.31,1.52,;11.22,.43,;9.73,.83,;11.62,-1.06,;13.08,-1.53,;13.08,-3.07,;11.62,-3.55,;10.72,-2.3,;9.18,-2.3,;8.41,-3.64,;9.18,-4.97,;9.95,-6.31,;6.87,-3.64,;6.1,-4.97,;6.1,-2.3,;6.87,-.97,;6.1,.36,;4.56,.36,;3.79,-.97,;4.56,-2.3,;2.25,-.97,;1.48,.36,;2.25,1.7,;-.06,.36,;-.81,-.89,;-2.42,-.62,;-3.75,-1.39,;-5.08,-.62,;-5.08,.92,;-3.75,1.69,;-3.75,3.23,;-5.08,4,;-6.42,3.23,;-7.75,4,;-7.75,5.54,;-9.08,6.31,;-10.42,5.54,;-10.42,4,;-11.75,3.23,;-13.08,4,;-13.08,5.54,;-11.75,6.31,;-6.42,6.31,;-5.08,5.54,;-3.75,6.31,;-2.42,4,;-2.42,5.54,;-1.08,3.23,;-1.08,1.69,;-2.42,.92,)|
Cc1cc(ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)c([nH]c1=O)c23)-c1ccccc1 |r,wU:18.18,36.39,31.32,(-2.53,4.16,;-3.86,3.39,;-5.19,4.16,;-6.53,3.39,;-6.53,1.85,;-5.19,1.08,;-3.86,1.85,;-2.53,1.08,;-2.53,-.46,;-3.86,-1.23,;-3.86,-2.77,;-2.53,-3.54,;-1.19,-2.77,;.3,-3.17,;1.29,-1.49,;2.83,-1.49,;3.6,-.16,;3.6,-2.83,;5.14,-2.83,;5.91,-4.16,;7.45,-4.16,;8.22,-2.83,;7.45,-1.49,;5.91,-1.49,;8.22,-.16,;7.45,1.18,;9.76,-.16,;10.53,1.18,;12.07,1.18,;12.84,2.51,;12.21,3.92,;13.35,4.95,;13.35,6.49,;14.69,7.26,;16.02,6.49,;16.02,4.95,;14.69,4.18,;14.37,2.67,;.14,-.46,;.14,1.08,;-1.19,1.85,;-1.19,3.39,;-1.19,-1.23,;-7.86,4.16,;-7.86,5.7,;-9.19,6.47,;-10.53,5.7,;-10.53,4.16,;-9.19,3.39,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cc(ncn4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Clc1cc(ccc1Oc1ccccc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC5CCC5)nc4)c(=O)[nH]c1c23 |r|
Cc1ccc(cc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23)-c1ccccc1 |r,wD:18.18,(-2.52,4.16,;-3.86,3.39,;-5.19,4.16,;-6.53,3.39,;-6.53,1.85,;-5.19,1.08,;-3.86,1.85,;-2.52,1.08,;-2.52,-.46,;-3.86,-1.23,;-3.86,-2.77,;-2.52,-3.54,;-1.19,-2.77,;.3,-3.17,;1.29,-1.49,;2.83,-1.49,;3.6,-2.83,;3.6,-.16,;5.14,-.16,;5.91,1.18,;7.45,1.18,;8.22,-.16,;7.45,-1.49,;5.91,-1.49,;8.22,-2.83,;7.45,-4.16,;9.76,-2.83,;10.53,-1.49,;.14,-.46,;.14,1.08,;-1.19,1.85,;-1.19,3.39,;-1.19,-1.23,;-7.86,1.08,;-7.86,-.46,;-9.19,-1.23,;-10.53,-.46,;-10.53,1.08,;-9.19,1.85,)|
CC(C)Cc1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-2.52,4.16,;-3.86,3.39,;-5.19,4.16,;-6.53,3.39,;-7.86,4.16,;-9.19,3.39,;-10.53,4.16,;-11.86,3.39,;-11.86,1.85,;-10.53,1.08,;-9.19,1.85,;-6.53,1.85,;-5.19,1.08,;-3.86,1.85,;-2.52,1.08,;-2.52,-.46,;-3.86,-1.23,;-3.86,-2.77,;-2.52,-3.54,;-1.19,-2.77,;.3,-3.17,;1.29,-1.49,;2.83,-1.49,;3.6,-.16,;3.6,-2.83,;5.14,-2.83,;5.91,-4.16,;7.45,-4.16,;8.22,-2.83,;7.45,-1.49,;5.91,-1.49,;8.22,-.16,;7.45,1.18,;9.76,-.16,;10.53,-1.49,;.14,-.46,;.14,1.08,;-1.19,1.85,;-1.19,3.39,;-1.19,-1.23,)|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-4.53,-.77,;-4.53,.77,;-5.86,1.54,;-5.86,3.08,;-7.19,3.85,;-8.53,3.08,;-8.53,1.54,;-9.86,.77,;-11.19,1.54,;-11.19,3.08,;-9.86,3.85,;-4.53,3.85,;-3.19,3.08,;-3.19,1.54,;-1.86,.77,;-1.86,-.77,;-3.19,-1.54,;-3.19,-3.08,;-1.86,-3.85,;-.52,-3.08,;.96,-3.48,;1.95,-1.8,;3.49,-1.8,;4.26,-3.13,;4.26,-.47,;5.8,-.47,;6.57,-1.8,;8.11,-1.8,;8.88,-.47,;8.11,.87,;6.57,.87,;8.88,2.2,;8.11,3.53,;10.42,2.2,;11.19,3.53,;.81,-.77,;.81,.77,;-.52,1.54,;-.52,3.08,;-.52,-1.54,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)C4CCCC4)c(=O)[nH]c1c23 |r|
Cc1cc(OC2CCCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:24.25,(-1.97,3.85,;-3.31,3.08,;-4.64,3.85,;-5.97,3.08,;-7.31,3.85,;-8.64,3.08,;-10.05,3.71,;-11.08,2.56,;-10.31,1.23,;-8.8,1.55,;-5.97,1.54,;-4.64,.77,;-3.31,1.54,;-1.97,.77,;-1.97,-.77,;-3.31,-1.54,;-3.31,-3.08,;-1.97,-3.85,;-.64,-3.08,;.85,-3.48,;1.84,-1.8,;3.38,-1.8,;4.15,-3.13,;4.15,-.47,;5.69,-.47,;6.46,-1.8,;8,-1.8,;8.77,-.47,;8,.87,;6.46,.87,;8.77,2.2,;8,3.53,;10.31,2.2,;11.08,.87,;.69,-.77,;.69,.77,;-.64,1.54,;-.64,3.08,;-.64,-1.54,)|
COc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:20.20,(-9.86,3.08,;-8.53,3.85,;-7.19,3.08,;-7.19,1.54,;-5.86,.77,;-4.53,1.54,;-4.53,3.08,;-3.19,3.85,;-5.86,3.85,;-3.19,.77,;-3.19,-.77,;-4.53,-1.54,;-4.53,-3.08,;-3.19,-3.85,;-1.86,-3.08,;-.37,-3.48,;.62,-1.8,;2.16,-1.8,;2.93,-3.13,;2.93,-.47,;4.47,-.47,;5.24,-1.8,;6.78,-1.8,;7.55,-.47,;6.78,.87,;5.24,.87,;7.55,2.2,;6.78,3.53,;9.09,2.2,;9.86,.87,;-.52,-.77,;-.52,.77,;-1.86,1.54,;-1.86,3.08,;-1.86,-1.54,)|
Cc1cnc(cc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23)-c1ccccc1 |r,wD:18.18,(-2.47,4.17,;-3.86,3.37,;-5.19,4.14,;-6.53,3.37,;-6.53,1.83,;-5.19,1.06,;-3.86,1.83,;-2.52,1.06,;-2.52,-.48,;-3.86,-1.25,;-3.86,-2.79,;-2.52,-3.56,;-1.19,-2.79,;.3,-3.18,;1.29,-1.51,;2.83,-1.51,;3.6,-2.84,;3.6,-.17,;5.14,-.17,;5.91,1.16,;7.45,1.16,;8.22,-.17,;7.45,-1.51,;5.91,-1.51,;8.22,-2.84,;7.45,-4.17,;9.76,-2.84,;10.53,-1.51,;.14,-.48,;.14,1.06,;-1.19,1.83,;-1.19,3.37,;-1.19,-1.25,;-7.86,1.06,;-7.86,-.48,;-9.19,-1.25,;-10.53,-.48,;-10.53,1.06,;-9.19,1.83,)|
CC(C)OCCOc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.25,(-12.53,2.31,;-11.19,3.08,;-11.19,4.62,;-9.86,2.31,;-8.53,3.08,;-7.19,2.31,;-5.86,3.08,;-4.53,2.31,;-4.53,.77,;-3.19,,;-1.86,.77,;-1.86,2.31,;-.52,3.08,;-3.19,3.08,;-.52,,;-.52,-1.54,;-1.86,-2.31,;-1.86,-3.85,;-.52,-4.62,;.81,-3.85,;2.3,-4.25,;3.29,-2.57,;4.83,-2.57,;5.6,-3.9,;5.6,-1.24,;7.14,-1.24,;7.91,-2.57,;9.45,-2.57,;10.22,-1.24,;9.45,.1,;7.91,.1,;10.22,1.43,;9.45,2.76,;11.76,1.43,;12.53,2.76,;2.14,-1.54,;2.14,,;.81,.77,;.81,2.31,;.81,-2.31,)|
CC(C)c1cc(ccn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Cc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
Cc1cc(OC2CCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:23.24,(-1.86,6.16,;-3.2,5.39,;-4.53,6.16,;-5.86,5.39,;-7.2,6.16,;-8.53,5.39,;-10.02,5.79,;-10.42,4.3,;-8.93,3.9,;-5.86,3.85,;-4.53,3.08,;-3.2,3.85,;-1.86,3.08,;-1.86,1.54,;-3.2,.77,;-3.2,-.77,;-1.86,-1.54,;-.53,-.77,;.96,-1.17,;1.95,.51,;3.49,.51,;4.26,1.84,;4.26,-.82,;5.8,-.82,;6.57,.51,;8.11,.51,;8.88,-.82,;8.11,-2.16,;6.57,-2.16,;8.88,-3.49,;10.42,-3.49,;8.11,-4.83,;8.88,-6.16,;.8,1.54,;.8,3.08,;-.53,3.85,;-.53,5.39,;-.53,.77,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4cccnc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCNC4)c([nH]c1=O)c23 |r,wD:25.26,(-3.02,-.5,;-3.02,1.04,;-4.35,1.81,;-4.35,3.35,;-5.68,4.12,;-7.02,3.35,;-8.35,4.12,;-9.68,3.35,;-9.68,1.81,;-8.35,1.04,;-7.02,1.81,;-3.02,4.12,;-1.68,3.35,;-1.68,1.81,;-.35,1.04,;-.35,-.5,;-1.68,-1.27,;-1.68,-2.81,;-.35,-3.58,;.99,-2.81,;2.47,-3.21,;3.46,-1.54,;5,-1.54,;5.77,-.2,;5.77,-2.87,;7.31,-2.87,;8.22,-1.62,;9.68,-2.1,;9.68,-3.64,;8.22,-4.12,;2.32,-.5,;2.32,1.04,;.99,1.81,;.99,3.35,;.99,-1.27,)|
CN(C)C\C=C\C(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)c(Cl)c4)c(=O)[nH]c1c23 |r|
Cc1nc(OC2CCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:23.24,(-4.53,1.54,;-4.53,3.08,;-5.86,3.85,;-5.86,5.39,;-7.2,6.16,;-8.53,5.39,;-10.02,5.79,;-10.42,4.3,;-8.93,3.9,;-4.53,6.16,;-3.2,5.39,;-3.2,3.85,;-1.86,3.08,;-1.86,1.54,;-3.2,.77,;-3.2,-.77,;-1.86,-1.54,;-.53,-.77,;.96,-1.17,;1.95,.51,;3.49,.51,;4.26,1.84,;4.26,-.82,;5.8,-.82,;6.57,.51,;8.11,.51,;8.88,-.82,;8.11,-2.16,;6.57,-2.16,;8.88,-3.49,;10.42,-3.49,;8.11,-4.83,;8.88,-6.16,;.8,1.54,;.8,3.08,;-.53,3.85,;-.53,5.39,;-.53,.77,)|
CC(C)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Fc1cccc(-c2cccc(c2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCCNC5)c([nH]c2=O)c34)c1F |r|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4COC[C@@H]4N)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-.35,4.85,;-1.68,4.08,;-3.02,4.85,;-4.35,4.08,;-5.68,4.85,;-7.02,4.08,;-8.35,4.85,;-9.68,4.08,;-9.68,2.54,;-8.35,1.77,;-7.02,2.54,;-4.35,2.54,;-3.02,1.77,;-1.68,2.54,;-.35,1.77,;-.35,.23,;-1.68,-.54,;-1.68,-2.08,;-.35,-2.85,;.99,-2.08,;2.47,-2.48,;3.46,-.8,;5,-.8,;5.77,.53,;5.77,-2.14,;7.31,-2.14,;8.22,-.89,;9.68,-1.37,;9.68,-2.91,;8.22,-3.38,;7.74,-4.85,;2.32,.23,;2.32,1.77,;.99,2.54,;.99,4.08,;.99,-.54,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)C4CCOCC4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccn4)c(=O)[nH]c1c23 |r|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4cccc(F)c4F)c(=O)[nH]c1c23 |r|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:25.26,(-3.37,-.77,;-3.37,.77,;-4.7,1.54,;-4.7,3.08,;-6.04,3.85,;-7.37,3.08,;-7.37,1.54,;-8.71,.77,;-10.04,1.54,;-10.04,3.08,;-8.71,3.85,;-3.37,3.85,;-2.04,3.08,;-2.04,1.54,;-.7,.77,;-.7,-.77,;-2.04,-1.54,;-2.04,-3.08,;-.7,-3.85,;.63,-3.08,;2.12,-3.48,;3.11,-1.8,;4.65,-1.8,;5.42,-3.13,;5.42,-.47,;6.96,-.47,;7.73,.87,;9.27,.87,;10.04,-.47,;9.27,-1.8,;7.73,-1.8,;1.96,-.77,;1.96,.77,;.63,1.54,;.63,3.08,;.63,-1.54,)|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:25.26,(-3.37,-.46,;-3.37,1.08,;-4.7,1.85,;-4.7,3.39,;-6.04,4.16,;-7.37,3.39,;-8.71,4.16,;-10.04,3.39,;-10.04,1.85,;-8.71,1.08,;-7.37,1.85,;-3.37,4.16,;-2.04,3.39,;-2.04,1.85,;-.7,1.08,;-.7,-.46,;-2.04,-1.23,;-2.04,-2.77,;-.7,-3.54,;.63,-2.77,;2.12,-3.17,;3.11,-1.49,;4.65,-1.49,;5.42,-.16,;5.42,-2.83,;6.96,-2.83,;7.73,-1.49,;9.27,-1.49,;10.04,-2.83,;9.27,-4.16,;7.73,-4.16,;1.96,-.46,;1.96,1.08,;.63,1.85,;.63,3.39,;.63,-1.23,)|
CNCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1nc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCNC4)c([nH]c1=O)c23 |r,wD:25.26,(-2.98,-.41,;-2.98,1.13,;-4.32,1.9,;-4.32,3.44,;-5.65,4.21,;-6.98,3.44,;-8.32,4.21,;-9.65,3.44,;-9.65,1.9,;-8.32,1.13,;-6.98,1.9,;-2.98,4.21,;-1.65,3.44,;-1.65,1.9,;-.31,1.13,;-.31,-.41,;-1.65,-1.18,;-1.65,-2.72,;-.31,-3.49,;1.02,-2.72,;2.51,-3.12,;3.43,-1.63,;4.97,-1.63,;5.74,-.3,;5.74,-2.97,;7.28,-2.97,;8.19,-1.72,;9.65,-2.2,;9.65,-3.74,;8.19,-4.21,;2.35,-.41,;2.35,1.13,;1.02,1.9,;1.02,3.44,;1.02,-1.18,)|
Cc1nc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-4.46,.51,;-4.46,2.05,;-5.79,2.82,;-5.79,4.36,;-7.12,5.13,;-8.46,4.36,;-9.79,5.13,;-11.13,4.36,;-11.13,2.82,;-9.79,2.05,;-8.46,2.82,;-4.46,5.13,;-3.12,4.36,;-3.12,2.82,;-1.79,2.05,;-1.79,.51,;-3.12,-.26,;-3.12,-1.8,;-1.79,-2.57,;-.46,-1.8,;1.03,-2.2,;2.24,-.72,;3.78,-.72,;4.55,.62,;4.55,-2.05,;6.09,-2.05,;6.99,-.8,;8.46,-1.28,;8.46,-2.82,;6.99,-3.3,;9.79,-3.59,;9.79,-5.13,;11.13,-2.82,;11.13,-1.28,;.88,.51,;.88,2.05,;-.46,2.82,;-.46,4.36,;-.46,-.26,)|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCNC4)c([nH]c1=O)c23 |r,wD:25.26,(-2.98,-.41,;-2.98,1.13,;-4.32,1.9,;-4.32,3.44,;-5.65,4.21,;-6.98,3.44,;-8.32,4.21,;-9.65,3.44,;-9.65,1.9,;-8.32,1.13,;-6.98,1.9,;-2.98,4.21,;-1.65,3.44,;-1.65,1.9,;-.31,1.13,;-.31,-.41,;-1.65,-1.18,;-1.65,-2.72,;-.31,-3.49,;1.02,-2.72,;2.51,-3.12,;3.43,-1.63,;4.97,-1.63,;5.74,-.3,;5.74,-2.97,;7.28,-2.97,;8.19,-1.72,;9.65,-2.2,;9.65,-3.74,;8.19,-4.21,;2.35,-.41,;2.35,1.13,;1.02,1.9,;1.02,3.44,;1.02,-1.18,)|
O[C@@H]1CN(C[C@@H]1NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23)C(=O)C=C |r|
O=C(NC1CCCNC1)c1sc2nccc3n(-c4ncc(Oc5ccccc5)cn4)c(=O)[nH]c1c23
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccnc(c4)C4CCCC4)c(=O)[nH]c1c23 |r|
CC(C)Cc1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CC(C)Cc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-10.49,4.26,;-9.16,3.49,;-9.16,1.95,;-7.83,4.26,;-6.49,3.49,;-6.49,1.95,;-5.16,1.18,;-5.16,-.36,;-3.83,1.95,;-3.83,3.49,;-5.16,4.26,;-2.49,1.18,;-2.49,-.36,;-3.83,-1.13,;-3.83,-2.67,;-2.49,-3.44,;-1.16,-2.67,;.33,-3.07,;1.25,-1.59,;2.79,-1.59,;3.56,-2.92,;3.56,-.26,;5.1,-.26,;5.87,1.08,;7.41,1.08,;8.18,-.26,;7.41,-1.59,;5.87,-1.59,;8.18,-2.92,;7.41,-4.26,;9.72,-2.92,;10.49,-1.59,;.18,-.36,;.18,1.18,;-1.16,1.95,;-1.16,3.49,;-1.16,-1.13,)|
O=C(NC1CCCNC1)c1sc2nccc3n(-c4cc(ncn4)-c4ccccc4)c(=O)[nH]c1c23
Cc1nc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-4.32,.9,;-4.32,2.44,;-5.65,3.21,;-5.65,4.75,;-6.98,5.52,;-8.32,4.75,;-9.65,5.52,;-10.98,4.75,;-10.98,3.21,;-9.65,2.44,;-8.32,3.21,;-4.32,5.52,;-2.98,4.75,;-2.98,3.21,;-1.65,2.44,;-1.65,.9,;-2.98,.13,;-2.98,-1.41,;-1.65,-2.18,;-.31,-1.41,;1.17,-1.81,;2.1,-.33,;3.64,-.33,;4.41,1,;4.41,-1.67,;5.95,-1.67,;6.85,-.42,;8.32,-.9,;8.32,-2.44,;6.85,-2.91,;9.65,-3.21,;10.98,-2.44,;9.65,-4.75,;10.98,-5.52,;1.02,.9,;1.02,2.44,;-.31,3.21,;-.31,4.75,;-.31,.13,)|
Cc1ccc(cc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23)-c1ccccc1 |r,wD:18.18,(-1.34,3.85,;-2.67,3.08,;-4,3.85,;-5.34,3.08,;-5.34,1.54,;-4,.77,;-2.67,1.54,;-1.34,.77,;-1.34,-.77,;-2.67,-1.54,;-2.67,-3.08,;-1.34,-3.85,;-0,-3.08,;1.48,-3.48,;2.41,-2,;3.95,-2,;4.72,-3.33,;4.72,-.66,;6.26,-.66,;7.03,.67,;8.57,.67,;9.34,-.66,;8.57,-2,;7.03,-2,;1.33,-.77,;1.33,.77,;-0,1.54,;-0,3.08,;-0,-1.54,;-6.67,.77,;-8.01,1.54,;-9.34,.77,;-9.34,-.77,;-8.01,-1.54,;-6.67,-.77,)|
Cc1cc(OC2CCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:23.24,(-4,-.77,;-4,.77,;-5.34,1.54,;-5.34,3.08,;-6.67,3.85,;-8.01,3.08,;-8.33,1.57,;-9.86,1.73,;-9.51,3.4,;-4,3.85,;-2.67,3.08,;-2.67,1.54,;-1.34,.77,;-1.34,-.77,;-2.67,-1.54,;-2.67,-3.08,;-1.34,-3.85,;-0,-3.08,;1.48,-3.48,;2.41,-2,;3.95,-2,;4.72,-3.33,;4.72,-.66,;6.26,-.66,;7.03,.67,;8.57,.67,;9.34,-.66,;8.57,-2,;7.03,-2,;9.34,-3.33,;10.88,-3.33,;8.57,-4.66,;7.03,-4.66,;1.33,-.77,;1.33,.77,;-0,1.54,;-0,3.08,;-0,-1.54,)|
CC(C)c1cc(ccn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Cc1cnc(cc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23)-c1ccccc1 |r,wD:18.18,(-1.34,3.85,;-2.67,3.08,;-4,3.85,;-5.34,3.08,;-5.34,1.54,;-4,.77,;-2.67,1.54,;-1.34,.77,;-1.34,-.77,;-2.67,-1.54,;-2.67,-3.08,;-1.34,-3.85,;-0,-3.08,;1.48,-3.48,;2.41,-2,;3.95,-2,;4.72,-3.33,;4.72,-.66,;6.26,-.66,;7.03,.67,;8.57,.67,;9.34,-.66,;8.57,-2,;7.03,-2,;1.33,-.77,;1.33,.77,;-0,1.54,;-0,3.08,;-0,-1.54,;-6.67,.77,;-8.01,1.54,;-9.34,.77,;-9.34,-.77,;-8.01,-1.54,;-6.67,-.77,)|
CC(C)OCCOc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)NC4CCCNC4)c([nH]c1=O)c23 |(-11.32,2.31,;-9.98,3.08,;-9.98,4.62,;-8.65,2.31,;-7.32,3.08,;-5.98,2.31,;-4.65,3.08,;-3.32,2.31,;-3.32,.77,;-1.98,,;-.65,.77,;-.65,2.31,;.68,3.08,;-1.98,3.08,;.68,,;.68,-1.54,;-.65,-2.31,;-.65,-3.85,;.68,-4.62,;2.02,-3.85,;3.48,-4.33,;4.39,-2.86,;5.93,-2.86,;6.7,-4.2,;6.7,-1.53,;8.24,-1.53,;9.01,-2.86,;10.55,-2.86,;11.32,-1.53,;10.55,-.2,;9.01,-.2,;3.35,-1.54,;3.35,,;2.02,.77,;2.02,2.31,;2.02,-2.31,)|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccnc(c4)C4CCCCC4)c(=O)[nH]c1c23 |r|
CC(C)Oc1ccc(c(C)n1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-10.09,6.31,;-8.75,5.54,;-8.75,4,;-7.42,6.31,;-6.09,5.54,;-4.75,6.31,;-3.42,5.54,;-3.42,4,;-4.75,3.23,;-4.75,1.69,;-6.09,4,;-2.09,3.23,;-2.09,1.69,;-3.42,.92,;-3.42,-.62,;-2.09,-1.39,;-.75,-.62,;.71,-1.1,;1.62,.36,;3.16,.36,;3.93,1.7,;3.93,-.97,;5.47,-.97,;6.24,.36,;7.78,.36,;8.55,-.97,;7.78,-2.3,;6.24,-2.3,;8.55,-3.64,;10.09,-3.64,;7.78,-4.97,;8.55,-6.31,;.58,1.69,;.58,3.23,;-.75,4,;-.75,5.54,;-.75,.92,)|
Cc1c(ccnc1-c1ccccc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:24.25,(-3.98,-.77,;-3.98,.77,;-2.65,1.54,;-2.65,3.08,;-3.98,3.85,;-5.32,3.08,;-5.32,1.54,;-6.65,.77,;-7.98,1.54,;-9.32,.77,;-9.32,-.77,;-7.98,-1.54,;-6.65,-.77,;-1.32,.77,;-1.32,-.77,;-2.65,-1.54,;-2.65,-3.08,;-1.32,-3.85,;.02,-3.08,;1.48,-3.56,;2.39,-2.09,;3.93,-2.09,;4.7,-3.43,;4.7,-.76,;6.24,-.76,;7.01,.57,;8.55,.57,;9.32,-.76,;8.55,-2.09,;7.01,-2.09,;1.35,-.77,;1.35,.77,;.02,1.54,;.02,3.08,;.02,-1.54,)|
Cc1cc(cc(n1)-c1ccccc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1cc(cc(n1)-c1ccccc1)-n1c2ccnc3sc(C(=O)NC4CCCNC4)c([nH]c1=O)c23
Cc1nc(OC2CCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:23.24,(-1.34,3.85,;-2.67,3.08,;-4,3.85,;-5.34,3.08,;-6.67,3.85,;-8.01,3.08,;-8.33,1.57,;-9.86,1.73,;-9.51,3.4,;-5.34,1.54,;-4,.77,;-2.67,1.54,;-1.34,.77,;-1.34,-.77,;-2.67,-1.54,;-2.67,-3.08,;-1.34,-3.85,;-0,-3.08,;1.48,-3.48,;2.41,-2,;3.95,-2,;4.72,-3.33,;4.72,-.66,;6.26,-.66,;7.03,.67,;8.57,.67,;9.34,-.66,;8.57,-2,;7.03,-2,;9.34,-3.33,;10.88,-3.33,;8.57,-4.66,;7.03,-4.66,;1.33,-.77,;1.33,.77,;-0,1.54,;-0,3.08,;-0,-1.54,)|
Cc1c(nccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=C)C=C)c([nH]c1=O)c23)-c1ccccc1 |r,wD:18.18,(-5.14,-.31,;-5.14,1.23,;-6.47,2,;-6.47,3.54,;-5.14,4.31,;-3.8,3.54,;-3.8,2,;-2.47,1.23,;-2.47,-.31,;-3.8,-1.08,;-3.8,-2.62,;-2.47,-3.39,;-1.14,-2.62,;.33,-3.1,;1.23,-1.64,;2.77,-1.64,;3.54,-2.97,;3.54,-.3,;5.08,-.3,;5.85,1.03,;7.39,1.03,;8.16,-.3,;7.39,-1.64,;5.85,-1.64,;8.16,-2.97,;7.39,-4.31,;9.7,-2.97,;10.47,-1.64,;.2,-.31,;.2,1.23,;-1.14,2,;-1.14,3.54,;-1.14,-1.08,;-7.81,1.23,;-9.14,2,;-10.47,1.23,;-10.47,-.31,;-9.14,-1.08,;-7.81,-.31,)|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cccc(c4)C4CCOCC4)c(=O)[nH]c1c23 |r|
CC(C)(C)OC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)C4CCOCC4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cnnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCNC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
Cc1cc(OC2CCOCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.8,4.31,;-3.14,3.54,;-4.47,4.31,;-5.8,3.54,;-7.14,4.31,;-8.47,3.54,;-9.81,4.31,;-11.14,3.54,;-11.14,2,;-9.81,1.23,;-8.47,2,;-5.8,2,;-4.47,1.23,;-3.14,2,;-1.8,1.23,;-1.8,-.31,;-3.14,-1.08,;-3.14,-2.62,;-1.8,-3.39,;-.47,-2.62,;.99,-3.1,;1.9,-1.64,;3.44,-1.64,;4.21,-.3,;4.21,-2.97,;5.75,-2.97,;6.52,-4.31,;8.06,-4.31,;8.83,-2.97,;8.06,-1.64,;6.52,-1.64,;8.83,-.3,;8.06,1.03,;10.37,-.3,;11.14,-1.64,;.86,-.31,;.86,1.23,;-.47,2,;-.47,3.54,;-.47,-1.08,)|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC(C4)C(=O)OC(C)(C)C)c([nH]c1=O)c23 |r,wD:25.26,(-5.24,-.31,;-5.24,1.23,;-6.57,2,;-6.57,3.54,;-7.91,4.31,;-9.24,3.54,;-10.58,4.31,;-11.91,3.54,;-11.91,2,;-10.58,1.23,;-9.24,2,;-5.24,4.31,;-3.91,3.54,;-3.91,2,;-2.57,1.23,;-2.57,-.31,;-3.91,-1.08,;-3.91,-2.62,;-2.57,-3.39,;-1.24,-2.62,;.22,-3.1,;1.13,-1.64,;2.67,-1.64,;3.44,-2.97,;3.44,-.3,;4.98,-.3,;5.75,1.03,;7.29,1.03,;8.06,-.3,;7.29,-1.64,;5.75,-1.64,;8.06,-2.97,;7.29,-4.31,;9.6,-2.97,;10.37,-1.64,;11.14,-.3,;11.91,-1.64,;9.6,-.3,;.09,-.31,;.09,1.23,;-1.24,2,;-1.24,3.54,;-1.24,-1.08,)|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccc(OC5CCC5)nc4)c(=O)[nH]c1c23 |r|
C=CC(=O)[C@H]1COC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
Cc1nc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-4.47,.9,;-4.47,2.48,;-5.81,3.25,;-5.81,4.8,;-7.14,5.57,;-8.47,4.8,;-9.81,5.57,;-11.14,4.8,;-11.14,3.25,;-9.81,2.48,;-8.47,3.25,;-4.47,5.57,;-3.14,4.8,;-3.14,3.25,;-1.8,2.48,;-1.8,.94,;-3.14,.17,;-3.14,-1.37,;-1.8,-2.14,;-.47,-1.37,;.99,-1.84,;1.9,-.23,;3.44,-.23,;4.21,1.1,;4.21,-1.56,;5.75,-1.56,;6.52,-.23,;8.06,-.23,;8.83,-1.56,;8.06,-2.9,;6.52,-2.9,;8.83,-4.23,;8.06,-5.57,;10.37,-4.23,;11.14,-2.9,;.86,.94,;.86,2.48,;-.47,3.25,;-.47,4.8,;-.47,.17,)|
CC(C)Cc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-10.96,3.85,;-9.63,3.08,;-9.63,1.54,;-8.3,3.85,;-6.96,3.08,;-6.96,1.54,;-5.63,.77,;-5.63,-.81,;-4.29,1.54,;-4.29,3.08,;-5.63,3.85,;-2.96,.77,;-2.96,-.77,;-4.29,-1.54,;-4.29,-3.08,;-2.96,-3.85,;-1.63,-3.08,;-.16,-3.56,;.74,-1.95,;2.28,-1.95,;3.05,-3.28,;3.05,-.61,;4.59,-.61,;5.5,.63,;6.96,.16,;6.96,-1.38,;5.5,-1.86,;8.3,-2.15,;8.3,-3.69,;9.63,-1.38,;10.96,-2.15,;-.29,-.77,;-.29,.77,;-1.63,1.54,;-1.63,3.08,;-1.63,-1.54,)|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ncc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
CC(C)Cc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cc(cnn4)-c4ccccc4)c(=O)[nH]c1c23 |r|
C=CC(=O)[C@@H]1COC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
CC(C)Oc1ccc(c(C)n1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-10.09,6.22,;-8.75,5.45,;-8.75,3.91,;-7.42,6.22,;-6.09,5.45,;-4.75,6.22,;-3.42,5.45,;-3.42,3.91,;-4.75,3.14,;-4.75,1.56,;-6.09,3.91,;-2.09,3.14,;-2.09,1.6,;-3.42,.83,;-3.42,-.71,;-2.09,-1.48,;-.75,-.71,;.71,-1.19,;1.62,.43,;3.16,.43,;3.93,1.76,;3.93,-.91,;5.47,-.91,;6.24,.43,;7.78,.43,;8.55,-.91,;7.78,-2.24,;6.24,-2.24,;8.55,-3.58,;10.09,-3.58,;7.78,-4.91,;8.52,-6.22,;.58,1.6,;.58,3.14,;-.75,3.91,;-.75,5.45,;-.75,.83,)|
CC(C)Cc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cc(cnn4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CC(C)Cc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-10.3,4.16,;-8.96,3.39,;-8.96,1.85,;-7.63,4.16,;-6.3,3.39,;-6.3,1.85,;-4.96,1.08,;-4.96,-.51,;-3.63,1.85,;-3.63,3.39,;-4.96,4.16,;-2.29,1.08,;-2.29,-.46,;-3.63,-1.23,;-3.63,-2.77,;-2.29,-3.54,;-.96,-2.77,;.5,-3.25,;1.41,-1.64,;2.95,-1.64,;3.72,-2.97,;3.72,-.31,;5.26,-.31,;6.16,.94,;7.63,.46,;7.63,-1.08,;6.16,-1.55,;8.96,-1.85,;10.3,-1.08,;8.96,-3.39,;10.3,-4.16,;.37,-.46,;.37,1.08,;-.96,1.85,;-.96,3.39,;-.96,-1.23,)|
CC(C)Oc1ccc(c(C)n1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-10.09,6.23,;-8.75,5.46,;-8.75,3.92,;-7.42,6.23,;-6.09,5.46,;-4.75,6.23,;-3.42,5.46,;-3.42,3.92,;-4.75,3.15,;-4.75,1.61,;-6.09,3.92,;-2.09,3.15,;-2.09,1.61,;-3.42,.84,;-3.42,-.7,;-2.09,-1.47,;-.75,-.7,;.71,-1.17,;1.62,.44,;3.16,.44,;3.93,1.77,;3.93,-.9,;5.47,-.9,;6.24,.44,;7.78,.44,;8.55,-.9,;7.78,-2.23,;6.24,-2.23,;8.55,-3.56,;10.09,-3.56,;7.78,-4.9,;8.55,-6.23,;.58,1.61,;.58,3.15,;-.75,3.92,;-.75,5.46,;-.75,.84,)|
CC(C)COc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:23.23,(-8.65,5,;-8.65,3.46,;-9.98,2.69,;-7.32,2.69,;-5.98,3.46,;-4.65,2.69,;-3.32,3.46,;-1.98,2.69,;-.65,3.46,;-1.98,1.15,;-3.32,.38,;-4.65,1.15,;-.65,.38,;-.65,-1.16,;-1.98,-1.93,;-1.98,-3.47,;-.65,-4.24,;.68,-3.47,;2.15,-3.94,;3.05,-2.33,;4.59,-2.33,;5.36,-1,;5.36,-3.67,;6.9,-3.67,;7.67,-2.33,;9.21,-2.33,;9.98,-3.67,;9.21,-5,;7.67,-5,;2.02,-1.16,;2.02,.38,;.68,1.15,;.68,2.69,;.68,-1.93,)|
CC(C)COc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:23.23,(-9.98,2.87,;-8.65,3.64,;-8.65,5.18,;-7.32,2.87,;-5.98,3.64,;-4.65,2.87,;-3.32,3.64,;-1.98,2.87,;-.65,3.64,;-1.98,1.33,;-3.32,.56,;-4.65,1.33,;-.65,.56,;-.65,-.98,;-1.98,-1.75,;-1.98,-3.29,;-.65,-4.06,;.68,-3.29,;2.15,-3.76,;3.05,-2.52,;4.59,-2.52,;5.36,-1.18,;5.36,-3.85,;6.9,-3.85,;7.67,-2.52,;9.21,-2.52,;9.98,-3.85,;9.21,-5.18,;7.67,-5.18,;2.02,-.98,;2.02,.56,;.68,1.33,;.68,2.87,;.68,-1.75,)|
Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:24.25,(-.76,4.41,;-2.1,3.64,;-3.43,4.41,;-4.76,3.64,;-6.1,4.41,;-7.43,3.64,;-8.84,4.27,;-9.87,3.13,;-9.1,1.79,;-7.59,2.11,;-4.76,2.1,;-3.43,1.33,;-2.1,2.1,;-.76,1.33,;-.76,-.21,;-2.1,-.98,;-2.1,-2.52,;-.76,-3.29,;.57,-2.52,;2.03,-2.99,;2.94,-1.75,;4.48,-1.75,;5.25,-.41,;5.25,-3.08,;6.79,-3.08,;7.56,-1.75,;9.1,-1.75,;9.87,-3.08,;9.1,-4.41,;7.56,-4.41,;1.9,-.21,;1.9,1.33,;.57,2.1,;.57,3.64,;.57,-.98,)|
CC(C)Cc1ccc(c(C)n1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-10.09,6.41,;-8.75,5.64,;-8.75,4.1,;-7.42,6.41,;-6.09,5.64,;-6.09,4.1,;-4.75,3.33,;-3.42,4.1,;-3.42,5.64,;-2.09,6.41,;-4.75,6.41,;-2.09,3.33,;-2.09,1.79,;-3.42,1.02,;-3.42,-.52,;-2.09,-1.29,;-.75,-.52,;.71,-.99,;1.62,.25,;3.16,.25,;3.93,1.59,;3.93,-1.08,;5.47,-1.08,;6.24,.25,;7.78,.25,;8.55,-1.08,;7.78,-2.41,;6.24,-2.41,;8.55,-3.75,;10.09,-3.75,;7.78,-5.08,;8.55,-6.41,;.58,1.79,;.58,3.33,;-.75,4.1,;-.75,5.64,;-.75,1.02,)|
CCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(CC(C)C)cc4C)c(=O)[nH]c1c23 |r,wD:8.10,(10.47,-5.75,;9.7,-4.41,;8.16,-4.41,;7.39,-5.75,;7.39,-3.08,;8.16,-1.75,;7.39,-.41,;5.85,-.41,;5.08,-1.75,;5.85,-3.08,;3.54,-1.75,;2.77,-.41,;3.54,.92,;1.23,-.41,;.33,-1.66,;-1.14,-1.18,;-2.47,-1.95,;-3.8,-1.18,;-3.8,.36,;-2.47,1.13,;-2.47,2.67,;-3.8,3.44,;-3.8,4.98,;-5.14,5.75,;-6.47,4.98,;-7.81,5.75,;-9.14,4.98,;-10.47,5.75,;-9.14,3.44,;-6.47,3.44,;-5.14,2.67,;-5.14,1.13,;-1.14,3.44,;-1.14,4.98,;.2,2.67,;.2,1.13,;-1.14,.36,)|
CC(C)COc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:23.23,(-11.14,4.21,;-9.81,4.98,;-9.81,6.52,;-8.47,4.21,;-7.14,4.98,;-5.81,4.21,;-4.47,4.98,;-3.14,4.21,;-1.8,4.98,;-3.14,2.67,;-4.47,1.9,;-5.81,2.67,;-1.8,1.9,;-1.8,.36,;-3.14,-.41,;-3.14,-1.95,;-1.8,-2.72,;-.47,-1.95,;.99,-2.43,;1.9,-1.18,;3.44,-1.18,;4.21,.15,;4.21,-2.52,;5.75,-2.52,;6.52,-1.18,;8.06,-1.18,;8.83,-2.52,;8.06,-3.85,;6.52,-3.85,;8.83,-5.18,;8.06,-6.52,;10.37,-5.18,;11.14,-6.52,;.86,.36,;.86,1.9,;-.47,2.67,;-.47,4.21,;-.47,-.41,)|
Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:24.25,(-1.92,5.75,;-3.25,4.98,;-4.59,5.75,;-5.92,4.98,;-7.25,5.75,;-8.59,4.98,;-9.99,5.6,;-11.02,4.46,;-10.25,3.13,;-8.75,3.45,;-5.92,3.44,;-4.59,2.67,;-3.25,3.44,;-1.92,2.67,;-1.92,1.13,;-3.25,.36,;-3.25,-1.18,;-1.92,-1.95,;-.59,-1.18,;.88,-1.66,;1.78,-.41,;3.32,-.41,;4.09,.92,;4.09,-1.75,;5.63,-1.75,;6.4,-.41,;7.94,-.41,;8.71,-1.75,;7.94,-3.08,;6.4,-3.08,;8.71,-4.41,;7.94,-5.75,;10.25,-4.41,;11.02,-5.75,;.75,1.13,;.75,2.67,;-.59,3.44,;-.59,4.98,;-.59,.36,)|
Cc1nc(OC2CCOCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.42,6.41,;-2.75,5.64,;-4.09,6.41,;-5.42,5.64,;-6.75,6.41,;-8.09,5.64,;-9.42,6.41,;-10.75,5.64,;-10.75,4.1,;-9.42,3.33,;-8.09,4.1,;-5.42,4.1,;-4.09,3.33,;-2.75,4.1,;-1.42,3.33,;-1.42,1.79,;-2.75,1.02,;-2.75,-.52,;-1.42,-1.29,;-.09,-.52,;1.38,-.99,;2.28,.25,;3.82,.25,;4.59,1.59,;4.59,-1.08,;6.13,-1.08,;6.9,.25,;8.44,.25,;9.21,-1.08,;8.44,-2.41,;6.9,-2.41,;9.21,-3.75,;10.75,-3.75,;8.44,-5.08,;9.21,-6.41,;1.25,1.79,;1.25,3.33,;-.09,4.1,;-.09,5.64,;-.09,1.02,)|
Cc1ncccc1Oc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1cccc(Oc2ccc(c(C)c2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCCN(C5)C(=O)C=C)c([nH]c2=O)c34)n1 |r,wU:25.25,(-11.81,3.85,;-10.47,3.08,;-10.47,1.54,;-9.14,.77,;-7.81,1.54,;-7.81,3.08,;-6.47,3.85,;-5.14,3.08,;-5.14,1.54,;-3.8,.77,;-2.47,1.54,;-2.47,3.08,;-1.14,3.85,;-3.8,3.85,;-1.14,.77,;-1.14,-.77,;-2.47,-1.54,;-2.47,-3.08,;-1.14,-3.85,;.2,-3.08,;1.66,-3.56,;2.57,-2.31,;4.11,-2.31,;4.88,-3.64,;4.88,-.98,;6.42,-.98,;7.19,-2.31,;8.73,-2.31,;9.5,-.98,;8.73,.36,;7.19,.36,;9.5,1.69,;8.73,3.02,;11.04,1.69,;11.81,3.02,;1.53,-.77,;1.53,.77,;.2,1.54,;.2,3.08,;.2,-1.54,;-9.14,3.85,)|
Cc1cc(Oc2cccnc2C)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:26.27,(-1.8,3.08,;-3.14,2.31,;-4.47,3.08,;-5.8,2.31,;-7.14,3.08,;-8.47,2.31,;-8.47,.77,;-9.81,,;-11.14,.77,;-11.14,2.31,;-9.81,3.08,;-9.81,4.62,;-5.8,.77,;-4.47,,;-3.14,.77,;-1.8,,;-1.8,-1.54,;-3.14,-2.31,;-3.14,-3.85,;-1.8,-4.62,;-.47,-3.85,;.99,-4.33,;1.9,-3.08,;3.44,-3.08,;4.21,-4.41,;4.21,-1.75,;5.75,-1.75,;6.52,-3.08,;8.06,-3.08,;8.83,-1.75,;8.06,-.41,;6.52,-.41,;8.83,.92,;8.06,2.25,;10.37,.92,;11.14,2.25,;.86,-1.54,;.86,,;-.47,.77,;-.47,2.31,;-.47,-2.31,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccnc5)cc4)c(=O)[nH]c1c23 |r|
Cc1cccc(Oc2ccc(cc2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCCN(C5)C(=O)C=C)c([nH]c2=O)c34)n1 |r|
Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:24.25,(-2.22,5.29,;-3.56,4.52,;-4.89,5.29,;-6.22,4.52,;-7.56,5.29,;-8.89,4.52,;-10.3,5.15,;-11.33,4,;-10.56,2.67,;-9.05,2.99,;-6.22,2.98,;-4.89,2.21,;-3.56,2.98,;-2.22,2.21,;-2.22,.67,;-3.56,-.1,;-3.56,-1.64,;-2.22,-2.41,;-.89,-1.64,;.48,-2.24,;1.21,-.74,;2.75,-.75,;3.52,.58,;3.52,-2.08,;5.06,-2.08,;5.97,-.84,;7.43,-1.31,;7.43,-2.85,;5.97,-3.33,;8.68,-3.76,;8.52,-5.29,;10.08,-3.13,;11.33,-4.04,;.44,.67,;.44,2.21,;-.89,2.98,;-.89,4.52,;-.89,-.1,)|
Fc1ccccc1Oc1ccc(nc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1cc(Oc2ccccn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.67,4.35,;-3,3.58,;-4.34,4.35,;-5.67,3.58,;-7,4.35,;-8.34,3.58,;-8.34,2.04,;-9.67,1.27,;-11.01,2.04,;-11.01,3.58,;-9.67,4.35,;-5.67,2.04,;-4.34,1.27,;-3,2.04,;-1.67,1.27,;-1.67,-.27,;-3,-1.04,;-3,-2.58,;-1.67,-3.35,;-.34,-2.58,;1.04,-3.18,;1.77,-1.68,;3.31,-1.69,;4.08,-.35,;4.08,-3.02,;5.62,-3.02,;6.39,-4.35,;7.93,-4.35,;8.7,-3.02,;7.93,-1.69,;6.39,-1.69,;8.7,-.35,;7.93,.98,;10.24,-.35,;11.01,.98,;1,-.27,;1,1.27,;-.34,2.04,;-.34,3.58,;-.34,-1.04,)|
CC(C)COc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:23.23,(-11.69,3.81,;-10.35,4.58,;-10.35,6.12,;-9.02,3.81,;-7.69,4.58,;-6.35,3.81,;-5.02,4.58,;-3.68,3.81,;-2.35,4.58,;-3.68,2.27,;-5.02,1.5,;-6.35,2.27,;-2.35,1.5,;-2.35,-.04,;-3.68,-.81,;-3.68,-2.35,;-2.35,-3.12,;-1.02,-2.35,;.36,-2.95,;1.09,-1.45,;2.63,-1.46,;3.4,-.13,;3.39,-2.8,;4.93,-2.8,;6.02,-1.3,;7.77,-1.87,;7.77,-3.72,;6.02,-4.29,;9.02,-4.62,;8.65,-6.12,;10.35,-3.85,;11.69,-4.62,;.32,-.04,;.32,1.5,;-1.02,2.27,;-1.02,3.81,;-1.02,-.81,)|
O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12)NCCCOCCOCCOCCCNC(=O)CCCC(=O)NC\C=C\C(=O)N1CCCC(C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-2.74,4.43,;-4.07,3.67,;-5.41,4.43,;-6.74,3.67,;-8.08,4.43,;-9.41,3.67,;-9.41,2.13,;-10.74,1.35,;-12.08,2.13,;-12.08,3.67,;-10.74,4.43,;-6.74,2.13,;-5.41,1.35,;-4.07,2.13,;-2.74,1.35,;-2.74,-.19,;-4.07,-.96,;-4.07,-2.5,;-2.74,-3.26,;-1.41,-2.5,;-.03,-3.1,;.7,-1.6,;2.24,-1.61,;3.01,-.27,;3,-2.94,;4.54,-2.94,;5.63,-4.43,;7.38,-3.86,;7.38,-2.02,;5.63,-1.45,;8.88,-.93,;8.78,.91,;10.48,-1.86,;12.08,-.93,;-.07,-.19,;-.07,1.35,;-1.41,2.13,;-1.41,3.67,;-1.41,-.96,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=CC4(C)COC4)C#N)c([nH]c1=O)c23 |r,w:34.37,wD:25.26,(-3.53,6.36,;-4.86,5.59,;-6.2,6.36,;-7.53,5.59,;-8.86,6.36,;-10.2,5.59,;-11.53,6.36,;-12.86,5.59,;-12.86,4.05,;-11.53,3.28,;-10.2,4.05,;-7.53,4.05,;-6.2,3.28,;-4.86,4.05,;-3.53,3.28,;-3.53,1.74,;-4.86,.97,;-4.86,-.57,;-3.53,-1.34,;-2.19,-.57,;-.82,-1.18,;-.09,.32,;1.45,.31,;2.22,1.65,;2.22,-1.02,;3.76,-1.02,;4.53,.31,;6.07,.31,;6.84,-1.02,;6.07,-2.35,;4.53,-2.35,;6.84,-3.69,;6.07,-5.02,;8.38,-3.69,;9.15,-2.35,;10.69,-2.35,;10.29,-.87,;11.78,-3.44,;12.86,-2.35,;11.78,-1.27,;9.15,-5.02,;9.92,-6.36,;-.86,1.74,;-.86,3.28,;-2.19,4.05,;-2.19,5.59,;-2.19,.97,)|
Cc1ccc(Oc2ccc(c(C)c2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCCN(C5)C(=O)C=C)c([nH]c2=O)c34)cn1 |r,wD:24.24,(-11.67,1.27,;-10.34,2.04,;-10.34,3.58,;-9.01,4.35,;-7.67,3.58,;-6.34,4.35,;-5,3.58,;-5,2.04,;-3.67,1.27,;-2.34,2.04,;-2.34,3.58,;-1,4.35,;-3.67,4.35,;-1,1.27,;-1,-.27,;-2.34,-1.04,;-2.34,-2.58,;-1,-3.35,;.33,-2.58,;1.7,-3.18,;2.43,-1.68,;3.97,-1.69,;4.74,-3.02,;4.74,-.35,;6.28,-.35,;7.05,.98,;8.59,.98,;9.36,-.35,;8.59,-1.69,;7.05,-1.69,;9.36,-3.02,;8.59,-4.35,;10.9,-3.02,;11.67,-4.35,;1.66,-.27,;1.66,1.27,;.33,2.04,;.33,3.58,;.33,-1.04,;-7.67,2.04,;-9.01,1.27,)|
Cc1cc(Oc2cccnn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.66,3.85,;-3,3.08,;-4.33,3.85,;-5.66,3.08,;-7,3.85,;-8.33,3.08,;-8.33,1.54,;-9.66,.77,;-11,1.54,;-11,3.08,;-9.66,3.85,;-5.66,1.54,;-4.33,.77,;-3,1.54,;-1.66,.77,;-1.66,-.77,;-3,-1.54,;-3,-3.08,;-1.66,-3.85,;-.33,-3.08,;1.05,-3.68,;1.78,-2.18,;3.32,-2.19,;4.08,-3.53,;4.09,-.86,;5.61,-.86,;6.38,-2.19,;7.92,-2.19,;8.69,-.86,;7.92,.48,;6.38,.48,;8.69,1.81,;7.92,3.14,;10.23,1.81,;11,3.14,;1.01,-.77,;1.01,.77,;-.33,1.54,;-.33,3.08,;-.33,-1.54,)|
Cc1cc(O[C@H]2CCOC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:5.4,24.25,(-1.79,4.35,;-3.12,3.58,;-4.45,4.35,;-5.79,3.58,;-7.12,4.35,;-8.45,3.58,;-9.86,4.21,;-10.89,3.07,;-10.12,1.73,;-8.61,2.05,;-5.79,2.04,;-4.45,1.27,;-3.12,2.04,;-1.79,1.27,;-1.79,-.27,;-3.12,-1.04,;-3.12,-2.58,;-1.79,-3.35,;-.45,-2.58,;.92,-3.18,;1.65,-1.68,;3.19,-1.69,;3.96,-3.02,;3.96,-.35,;5.5,-.35,;6.27,.98,;7.81,.98,;8.58,-.35,;7.81,-1.69,;6.27,-1.69,;8.58,-3.02,;7.81,-4.35,;10.12,-3.02,;10.89,-1.69,;.88,-.27,;.88,1.27,;-.45,2.04,;-.45,3.58,;-.45,-1.04,)|
Cc1ccc(Oc2ccc(cc2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCCN(C5)C(=O)C=C)c([nH]c2=O)c34)nc1 |r|
Cc1cc(O[C@@H]2CCOC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:5.4,24.25,(-1.68,4.35,;-3.01,3.58,;-4.34,4.35,;-5.68,3.58,;-7.01,4.35,;-8.35,3.58,;-8.51,2.05,;-10.01,1.73,;-10.78,3.07,;-9.75,4.21,;-5.68,2.04,;-4.34,1.27,;-3.01,2.04,;-1.68,1.27,;-1.68,-.27,;-3.01,-1.04,;-3.01,-2.58,;-1.68,-3.35,;-.34,-2.58,;1.03,-3.18,;1.76,-1.68,;3.3,-1.69,;4.07,-3.02,;4.07,-.35,;5.39,-.35,;6.16,.98,;7.7,.98,;8.47,-.35,;7.7,-1.69,;6.16,-1.69,;8.47,-3.02,;7.7,-4.35,;10.01,-3.02,;10.78,-1.69,;.99,-.27,;.99,1.27,;-.34,2.04,;-.34,3.58,;-.34,-1.04,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.68,4.35,;-3.01,3.58,;-4.34,4.35,;-5.68,3.58,;-7.01,4.35,;-8.35,3.58,;-9.68,4.35,;-11.01,3.58,;-11.01,2.04,;-9.68,1.27,;-8.35,2.04,;-5.68,2.04,;-4.34,1.27,;-3.01,2.04,;-1.68,1.27,;-1.68,-.27,;-3.01,-1.04,;-3.01,-2.58,;-1.68,-3.35,;-.34,-2.58,;1.03,-3.18,;1.76,-1.68,;3.3,-1.69,;4.07,-3.02,;4.07,-.35,;5.39,-.35,;6.16,.98,;7.7,.98,;8.47,-.35,;7.7,-1.69,;6.16,-1.69,;8.47,-3.02,;7.7,-4.35,;10.01,-3.02,;10.78,-1.69,;.99,-.27,;.99,1.27,;-.34,2.04,;-.34,3.58,;-.34,-1.04,)|
CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-10.22,5.69,;-8.88,4.92,;-8.88,3.38,;-7.55,5.69,;-6.22,4.92,;-4.88,5.69,;-3.55,4.92,;-2.22,5.69,;-3.55,3.38,;-4.88,2.61,;-6.22,3.38,;-2.22,2.61,;-2.22,1.07,;-3.55,.3,;-3.55,-1.24,;-2.22,-2.01,;-.88,-1.24,;.49,-1.84,;1.22,-.35,;2.76,-.35,;3.53,.98,;3.53,-1.69,;4.83,-1.69,;5.6,-.35,;7.14,-.35,;7.91,-1.69,;7.14,-3.02,;5.6,-3.02,;7.91,-4.35,;7.14,-5.69,;9.45,-4.35,;10.22,-5.69,;.45,1.07,;.45,2.61,;-.88,3.38,;-.88,4.92,;-.88,.3,)|
Cc1cc(Oc2cccnn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-2.74,4.43,;-4.07,3.67,;-5.41,4.43,;-6.74,3.67,;-8.08,4.43,;-9.41,3.67,;-9.41,2.13,;-10.74,1.35,;-12.08,2.13,;-12.08,3.67,;-10.74,4.43,;-6.74,2.13,;-5.41,1.35,;-4.07,2.13,;-2.74,1.35,;-2.74,-.19,;-4.07,-.96,;-4.07,-2.5,;-2.74,-3.26,;-1.41,-2.5,;-.03,-3.1,;.7,-1.6,;2.24,-1.61,;3.01,-.27,;3,-2.94,;4.54,-2.94,;5.63,-4.43,;7.38,-3.86,;7.38,-2.02,;5.63,-1.45,;8.88,-.93,;8.78,.91,;10.48,-1.86,;12.08,-.93,;-.07,-.19,;-.07,1.35,;-1.41,2.13,;-1.41,3.67,;-1.41,-.96,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccnn5)cc4)c(=O)[nH]c1c23 |r|
CC(C)Cc1ccc(c(C)n1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-9,3.38,;-9,4.92,;-10.34,5.69,;-7.67,5.69,;-6.34,4.92,;-6.34,3.38,;-5,2.61,;-3.67,3.38,;-3.67,4.92,;-2.34,5.69,;-5,5.69,;-2.34,2.61,;-2.34,1.07,;-3.67,.3,;-3.67,-1.24,;-2.34,-2.01,;-1,-1.24,;.37,-1.84,;1.1,-.35,;2.64,-.35,;3.41,.98,;3.41,-1.69,;4.95,-1.69,;5.72,-.35,;7.26,-.35,;8.03,-1.69,;7.26,-3.02,;5.72,-3.02,;8.03,-4.35,;7.26,-5.69,;9.57,-4.35,;10.34,-3.02,;.33,1.07,;.33,2.61,;-1,3.38,;-1,4.92,;-1,.3,)|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCOC4)c([nH]c1=O)c23 |r,wD:25.26,(-2.83,-.77,;-2.83,.77,;-4.16,1.54,;-4.16,3.08,;-5.5,3.85,;-6.83,3.08,;-8.16,3.85,;-9.5,3.08,;-9.5,1.54,;-8.16,.77,;-6.83,1.54,;-2.83,3.85,;-1.49,3.08,;-1.49,1.54,;-.16,.77,;-.16,-.77,;-1.49,-1.54,;-1.49,-3.08,;-.16,-3.85,;1.17,-3.08,;2.55,-3.68,;3.28,-2.18,;4.82,-2.19,;5.58,-3.53,;5.59,-.86,;7.13,-.86,;8.03,.39,;9.5,-.09,;9.5,-1.63,;8.03,-2.1,;2.51,-.77,;2.51,.77,;1.17,1.54,;1.17,3.08,;1.17,-1.54,)|
CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:22.22,(-7.85,1.54,;-7.85,3.08,;-9.18,3.85,;-6.52,3.85,;-5.18,3.08,;-3.85,3.85,;-2.52,3.08,;-1.18,3.85,;-2.52,1.54,;-3.85,.77,;-5.18,1.54,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;1.53,-3.68,;2.25,-2.18,;3.79,-2.19,;4.56,-3.53,;4.56,-.86,;6.1,-.86,;6.87,.48,;8.41,.48,;9.18,-.86,;8.41,-2.19,;6.87,-2.19,;1.48,-.77,;1.48,.77,;.15,1.54,;.15,3.08,;.15,-1.54,)|
C=CC(=O)N1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(N4CCN(CC4)C(=O)C=C)c([nH]c1=O)c23 |(-1.28,3.85,;-2.62,3.08,;-3.95,3.85,;-5.29,3.08,;-6.62,3.85,;-7.95,3.08,;-9.29,3.85,;-10.62,3.08,;-10.62,1.54,;-9.29,.77,;-7.95,1.54,;-5.29,1.54,;-3.95,.77,;-2.62,1.54,;-1.28,.77,;-1.28,-.77,;-2.62,-1.54,;-2.62,-3.08,;-1.28,-3.85,;.05,-3.08,;1.42,-3.68,;2.15,-2.18,;3.69,-2.19,;4.51,-3.49,;6.05,-3.49,;6.77,-2.19,;5.96,-.88,;4.42,-.88,;8.31,-2.18,;9.06,-.84,;9.08,-3.52,;10.62,-3.52,;1.38,-.77,;1.38,.77,;.05,1.54,;.05,3.08,;.05,-1.54,)|
Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCNC4)c([nH]c1=O)c23 |r,wD:24.25,(-.27,4.31,;-1.61,3.54,;-2.94,4.31,;-4.28,3.54,;-5.61,4.31,;-6.94,3.54,;-8.35,4.17,;-9.38,3.02,;-8.61,1.69,;-7.1,2.01,;-4.28,2,;-2.94,1.23,;-1.61,2,;-.27,1.23,;-.27,-.31,;-1.61,-1.08,;-1.61,-2.62,;-.27,-3.39,;1.06,-2.62,;2.43,-3.22,;3.16,-1.72,;4.7,-1.73,;5.47,-.4,;5.47,-3.07,;7.01,-3.07,;7.92,-1.82,;9.38,-2.3,;9.38,-3.84,;7.92,-4.31,;2.39,-.31,;2.39,1.23,;1.06,2,;1.06,3.54,;1.06,-1.08,)|
CC(C)COc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCNC4)c([nH]c1=O)c23 |r,wD:23.23,(-8.92,5.18,;-8.52,3.69,;-9.61,2.6,;-7.19,2.92,;-5.85,3.69,;-4.52,2.92,;-3.18,3.69,;-1.85,2.92,;-.52,3.69,;-1.85,1.38,;-3.18,.61,;-4.52,1.38,;-.52,.61,;-.52,-.93,;-1.85,-1.7,;-1.85,-3.24,;-.52,-4.01,;.82,-3.24,;2.19,-3.84,;2.92,-2.34,;4.46,-2.35,;5.23,-1.02,;5.23,-3.68,;6.77,-3.68,;7.85,-2.19,;9.61,-2.76,;9.61,-4.61,;7.85,-5.18,;2.15,-.93,;2.15,.61,;.82,1.38,;.82,2.92,;.82,-1.7,)|
CCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccn5)cc4C)c(=O)[nH]c1c23 |r,wU:8.10,(11,.98,;10.23,-.35,;8.69,-.35,;7.92,.98,;7.92,-1.69,;8.69,-3.02,;7.92,-4.35,;6.38,-4.35,;5.61,-3.02,;6.38,-1.69,;4.07,-3.02,;3.31,-1.69,;4.08,-.35,;1.77,-1.68,;1.04,-3.18,;-.34,-2.58,;-1.67,-3.35,;-3,-2.58,;-3,-1.04,;-1.67,-.27,;-1.67,1.27,;-3,2.04,;-4.34,1.27,;-5.67,2.04,;-5.67,3.58,;-7,4.35,;-8.34,3.58,;-8.34,2.04,;-9.67,1.27,;-11,2.04,;-11,3.58,;-9.67,4.35,;-4.34,4.35,;-3,3.58,;-1.67,4.35,;-.34,2.04,;-.34,3.58,;1,1.27,;1,-.27,;-.34,-1.04,)|
CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccn5)cc4C)c(=O)[nH]c1c23 |r,wU:7.9,(11.08,.31,;9.23,.31,;8.31,1.91,;8.31,-1.29,;9.23,-2.89,;8.31,-4.49,;6.46,-4.49,;5.54,-2.89,;6.46,-1.29,;4,-2.89,;3.23,-1.55,;4,-.22,;1.69,-1.55,;.96,-3.04,;-.41,-2.44,;-1.74,-3.21,;-3.08,-2.44,;-3.08,-.9,;-1.74,-.13,;-1.74,1.41,;-3.08,2.18,;-4.41,1.41,;-5.74,2.18,;-5.74,3.72,;-7.08,4.49,;-8.41,3.72,;-8.41,2.18,;-9.74,1.41,;-11.08,2.18,;-11.08,3.72,;-9.74,4.49,;-4.41,4.49,;-3.08,3.72,;-1.74,4.49,;-.41,2.18,;-.41,3.72,;.92,1.41,;.92,-.13,;-.41,-.9,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC(=O)C4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |(-6.23,-.69,;-6.05,.84,;-7.28,1.76,;-7.11,3.29,;-8.34,4.21,;-9.76,3.6,;-10.99,4.52,;-12.4,3.91,;-12.58,2.38,;-11.35,1.46,;-9.93,2.07,;-5.69,3.9,;-4.46,2.98,;-4.63,1.45,;-3.34,.62,;-3.45,-.92,;-4.52,-1.55,;-4.65,-3.09,;-3.31,-3.86,;-1.98,-3.09,;-.6,-3.69,;.13,-2.2,;1.66,-2,;2.43,-.67,;1.6,.63,;3.92,-.51,;4.57,.89,;6.1,1.03,;6.99,-.23,;6.34,-1.63,;4.81,-1.77,;7.23,-2.89,;6.58,-4.29,;8.76,-2.75,;9.65,-4.01,;11.18,-3.87,;12.58,-4.52,;12.44,-2.98,;9.41,-1.35,;10.06,.04,;-.78,-1.24,;-.67,.5,;-1.89,1.33,;-1.82,2.87,;-2.03,-1.74,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC(=O)C4CCCN(C4)C#N)c([nH]c1=O)c23 |(-.85,3.85,;-2.18,3.08,;-3.51,3.85,;-4.85,3.08,;-6.18,3.85,;-7.51,3.08,;-8.85,3.85,;-10.18,3.08,;-10.18,1.54,;-8.85,.77,;-7.51,1.54,;-4.85,1.54,;-3.51,.77,;-2.18,1.54,;-.85,.77,;-.85,-.77,;-2.18,-1.54,;-2.18,-3.08,;-.85,-3.85,;.49,-3.08,;1.86,-3.68,;2.59,-2.18,;4.09,-2.15,;4.86,-.82,;4.09,.51,;6.33,-.82,;7.1,-2.15,;8.64,-2.15,;9.41,-.82,;8.64,.51,;7.1,.51,;9.41,1.85,;10.18,3.18,;1.82,-.77,;1.82,.77,;.49,1.54,;.49,3.08,;.49,-1.54,)|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccnn5)cc4)c(=O)[nH]c1c23 |r|
CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-9,3.38,;-9,4.92,;-10.34,5.69,;-7.67,5.69,;-6.34,4.92,;-5,5.69,;-3.67,4.92,;-2.34,5.69,;-3.67,3.38,;-5,2.61,;-6.34,3.38,;-2.34,2.61,;-2.34,1.07,;-3.67,.3,;-3.67,-1.24,;-2.34,-2.01,;-1,-1.24,;.37,-1.84,;1.1,-.35,;2.64,-.35,;3.41,.98,;3.41,-1.69,;4.95,-1.69,;5.72,-.35,;7.26,-.35,;8.03,-1.69,;7.26,-3.02,;5.72,-3.02,;8.03,-4.35,;7.26,-5.69,;9.57,-4.35,;10.34,-5.69,;.33,1.07,;.33,2.61,;-1,3.38,;-1,4.92,;-1,.3,)|
CCC(=O)N1CCC(CC1)C(=O)Nc1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(10.37,1.69,;11.14,.36,;10.37,-.98,;11.14,-2.31,;8.83,-.98,;8.06,.36,;6.52,.36,;5.75,-.98,;6.52,-2.31,;8.06,-2.31,;4.21,-.98,;3.44,.36,;3.44,-2.31,;1.9,-2.31,;.99,-3.56,;-.47,-3.08,;-1.8,-3.85,;-3.14,-3.08,;-3.14,-1.54,;-1.8,-.77,;-1.8,.77,;-3.14,1.54,;-4.47,.77,;-5.8,1.54,;-5.8,3.08,;-7.14,3.85,;-8.47,3.08,;-9.81,3.85,;-11.14,3.08,;-11.14,1.54,;-9.81,.77,;-8.47,1.54,;-4.47,3.85,;-3.14,3.08,;-1.8,3.85,;-.47,1.54,;-.47,3.08,;.86,.77,;.86,-.77,;-.47,-1.54,)|
CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:22.22,(-7.98,2.1,;-7.98,3.64,;-9.32,4.41,;-6.65,4.41,;-5.32,3.64,;-3.98,4.41,;-2.65,3.64,;-1.32,4.41,;-2.65,2.1,;-3.98,1.33,;-5.32,2.1,;-1.32,1.33,;-1.32,-.21,;-2.65,-.98,;-2.65,-2.52,;-1.32,-3.29,;.02,-2.52,;1.48,-2.99,;2.39,-1.75,;3.93,-1.75,;4.7,-.41,;4.7,-3.08,;6.24,-3.08,;7.01,-1.75,;8.55,-1.75,;9.32,-3.08,;8.55,-4.41,;7.01,-4.41,;1.35,-.21,;1.35,1.33,;.02,2.1,;.02,3.64,;.02,-.98,)|
CCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccn5)cc4)c(=O)[nH]c1c23 |r|
CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccn5)cc4)c(=O)[nH]c1c23 |r|
CCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccnn5)cc4C)c(=O)[nH]c1c23 |r,wD:8.10,(9.21,-6.41,;8.44,-5.08,;9.21,-3.75,;10.75,-3.75,;8.44,-2.41,;9.21,-1.08,;8.44,.25,;6.9,.25,;6.13,-1.08,;6.9,-2.41,;4.59,-1.08,;3.82,.25,;4.59,1.59,;2.28,.25,;1.38,-.99,;-.09,-.52,;-1.42,-1.29,;-2.75,-.52,;-2.75,1.02,;-1.42,1.79,;-1.42,3.33,;-2.75,4.1,;-4.09,3.33,;-5.42,4.1,;-5.42,5.64,;-6.75,6.41,;-8.09,5.64,;-8.09,4.1,;-9.42,3.33,;-10.75,4.1,;-10.75,5.64,;-9.42,6.41,;-4.09,6.41,;-2.75,5.64,;-1.42,6.41,;-.09,4.1,;-.09,5.64,;1.25,3.33,;1.25,1.79,;-.09,1.02,)|
CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccnn5)cc4C)c(=O)[nH]c1c23 |r,wD:7.9,(8.44,-5.75,;9.22,-4.41,;10.76,-4.41,;8.44,-3.08,;9.22,-1.75,;8.44,-.41,;6.9,-.41,;6.13,-1.75,;6.9,-3.08,;4.59,-1.75,;3.82,-.41,;4.59,.92,;2.28,-.41,;1.38,-1.66,;-.09,-1.18,;-1.42,-1.95,;-2.75,-1.18,;-2.75,.36,;-1.42,1.13,;-1.42,2.67,;-2.75,3.44,;-4.09,2.67,;-5.42,3.44,;-5.42,4.98,;-6.75,5.75,;-8.09,4.98,;-8.09,3.44,;-9.42,2.67,;-10.76,3.44,;-10.76,4.98,;-9.42,5.75,;-4.09,5.75,;-2.75,4.98,;-1.42,5.75,;-.09,3.44,;-.09,4.98,;1.25,2.67,;1.25,1.13,;-.09,.36,)|
CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccnn5)cc4)c(=O)[nH]c1c23 |r|
CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC5CCOCC5)cc4C)c(=O)[nH]c1c23 |r,wD:7.9,(10.75,-3.08,;9.21,-3.08,;8.44,-4.41,;8.44,-1.75,;9.21,-.41,;8.44,.92,;6.9,.92,;6.13,-.41,;6.9,-1.75,;4.59,-.41,;3.82,-1.75,;4.59,-3.08,;2.28,-1.75,;1.38,-2.99,;-.09,-2.52,;-1.42,-3.29,;-2.75,-2.52,;-2.75,-.98,;-1.42,-.21,;-1.42,1.33,;-2.75,2.1,;-4.09,1.33,;-5.42,2.1,;-5.42,3.64,;-6.75,4.41,;-8.09,3.64,;-9.42,4.41,;-10.75,3.64,;-10.75,2.1,;-9.42,1.33,;-8.09,2.1,;-4.09,4.41,;-2.75,3.64,;-1.42,4.41,;-.09,2.1,;-.09,3.64,;1.25,1.33,;1.25,-.21,;-.09,-.98,)|
CC(C)Cc1ccc(c(C)n1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-8.75,4.1,;-8.75,5.64,;-10.09,6.41,;-7.42,6.41,;-6.09,5.64,;-6.09,4.1,;-4.75,3.33,;-3.42,4.1,;-3.42,5.64,;-2.09,6.41,;-4.75,6.41,;-2.09,3.33,;-2.09,1.79,;-3.42,1.02,;-3.42,-.52,;-2.09,-1.29,;-.75,-.52,;.71,-.99,;1.62,.25,;3.16,.25,;3.93,1.59,;3.93,-1.08,;5.47,-1.08,;6.24,.25,;7.78,.25,;8.55,-1.08,;7.78,-2.41,;6.24,-2.41,;8.55,-3.75,;10.09,-3.75,;7.78,-5.08,;8.55,-6.41,;.58,1.79,;.58,3.33,;-.75,4.1,;-.75,5.64,;-.75,1.02,)|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(C#N)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-2.09,6.41,;-3.42,5.64,;-4.75,6.41,;-6.09,5.64,;-7.42,6.41,;-8.75,5.64,;-10.09,6.41,;-11.42,5.64,;-11.42,4.1,;-10.09,3.33,;-8.75,4.1,;-6.09,4.1,;-4.75,3.33,;-3.42,4.1,;-2.09,3.33,;-2.09,1.79,;-3.42,1.02,;-3.42,-.52,;-2.09,-1.29,;-.75,-.52,;.71,-.99,;1.62,.25,;3.16,.25,;3.93,1.59,;3.93,-1.08,;5.47,-1.08,;6.24,.25,;7.78,.25,;8.55,-1.08,;7.78,-2.41,;6.24,-2.41,;8.55,-3.75,;10.09,-3.75,;11.63,-3.75,;7.78,-5.08,;6.24,-5.08,;8.55,-6.41,;7.78,-7.75,;.58,1.79,;.58,3.33,;-.75,4.1,;-.75,5.64,;-.75,1.02,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC(=O)C4CCCN(C4)C(=O)CC#N)c([nH]c1=O)c23 |(-2.19,3.6,;-3.52,2.83,;-4.86,3.6,;-6.19,2.83,;-7.52,3.6,;-8.86,2.83,;-10.19,3.6,;-11.52,2.83,;-11.52,1.29,;-10.19,.52,;-8.86,1.29,;-6.19,1.29,;-4.86,.52,;-3.52,1.29,;-2.19,.52,;-2.19,-1.02,;-3.52,-1.79,;-3.52,-3.33,;-2.19,-4.1,;-.86,-3.33,;.61,-3.81,;1.51,-2.56,;3.05,-2.56,;3.82,-1.23,;3.05,.1,;5.36,-1.23,;6.13,-2.56,;7.67,-2.56,;8.44,-1.23,;7.67,.1,;6.13,.1,;8.44,1.44,;7.67,2.77,;9.98,1.44,;10.75,2.77,;11.52,4.1,;.48,-1.02,;.48,.52,;-.86,1.29,;-.86,2.83,;-.86,-1.79,)|
CCC(=O)N1CCCC(C1)C(=O)Nc1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(10.75,2.77,;9.98,1.44,;8.44,1.44,;7.67,2.77,;7.67,.1,;8.44,-1.23,;7.67,-2.56,;6.13,-2.56,;5.36,-1.23,;6.13,.1,;3.82,-1.23,;3.05,.1,;3.05,-2.56,;1.51,-2.56,;.61,-3.81,;-.86,-3.33,;-2.19,-4.1,;-3.52,-3.33,;-3.52,-1.79,;-2.19,-1.02,;-2.19,.52,;-3.52,1.29,;-4.86,.52,;-6.19,1.29,;-6.19,2.83,;-7.52,3.6,;-8.86,2.83,;-10.19,3.6,;-11.52,2.83,;-11.52,1.29,;-10.19,.52,;-8.86,1.29,;-4.86,3.6,;-3.52,2.83,;-2.19,3.6,;-.86,1.29,;-.86,2.83,;.48,.52,;.48,-1.02,;-.86,-1.79,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC(=O)C4CCN(CC4)C(=O)CC#N)c([nH]c1=O)c23 |(-2.19,3.6,;-3.52,2.83,;-4.86,3.6,;-6.19,2.83,;-7.52,3.6,;-8.86,2.83,;-10.19,3.6,;-11.52,2.83,;-11.52,1.29,;-10.19,.52,;-8.86,1.29,;-6.19,1.29,;-4.86,.52,;-3.52,1.29,;-2.19,.52,;-2.19,-1.02,;-3.52,-1.79,;-3.52,-3.33,;-2.19,-4.1,;-.86,-3.33,;.61,-3.81,;1.51,-2.56,;3.05,-2.56,;3.82,-1.23,;3.05,.1,;5.36,-1.23,;6.13,.1,;7.67,.1,;8.44,-1.23,;7.67,-2.56,;6.13,-2.56,;9.98,-1.23,;10.75,.1,;10.75,-2.56,;9.98,-3.9,;9.22,-5.23,;.48,-1.02,;.48,.52,;-.86,1.29,;-.86,2.83,;-.86,-1.79,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC(=O)C4CCN(CC4)C(=O)C=C)c([nH]c1=O)c23 |(-2.19,3.6,;-3.52,2.83,;-4.86,3.6,;-6.19,2.83,;-7.52,3.6,;-8.86,2.83,;-10.19,3.6,;-11.52,2.83,;-11.52,1.29,;-10.19,.52,;-8.86,1.29,;-6.19,1.29,;-4.86,.52,;-3.52,1.29,;-2.19,.52,;-2.19,-1.02,;-3.52,-1.79,;-3.52,-3.33,;-2.19,-4.1,;-.86,-3.33,;.61,-3.81,;1.51,-2.56,;3.05,-2.56,;3.82,-1.23,;3.05,.1,;5.36,-1.23,;6.13,.1,;7.67,.1,;8.44,-1.23,;7.67,-2.56,;6.13,-2.56,;9.98,-1.23,;10.75,.1,;10.75,-2.56,;9.98,-3.9,;.48,-1.02,;.48,.52,;-.86,1.29,;-.86,2.83,;-.86,-1.79,)|
CCN1CCCC(C1)C(=O)Nc1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(9.98,1.44,;8.44,1.44,;7.67,.1,;8.44,-1.23,;7.67,-2.56,;6.13,-2.56,;5.36,-1.23,;6.13,.1,;3.82,-1.23,;3.05,.1,;3.05,-2.56,;1.51,-2.56,;.61,-3.81,;-.86,-3.33,;-2.19,-4.1,;-3.52,-3.33,;-3.52,-1.79,;-2.19,-1.02,;-2.19,.52,;-3.52,1.29,;-4.86,.52,;-6.19,1.29,;-6.19,2.83,;-7.52,3.6,;-8.86,2.83,;-10.19,3.6,;-11.52,2.83,;-11.52,1.29,;-10.19,.52,;-8.86,1.29,;-4.86,3.6,;-3.52,2.83,;-2.19,3.6,;-.86,1.29,;-.86,2.83,;.48,.52,;.48,-1.02,;-.86,-1.79,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC(=O)C4CCN(CC4)C#N)c([nH]c1=O)c23 |(-2.19,3.6,;-3.52,2.83,;-4.86,3.6,;-6.19,2.83,;-7.52,3.6,;-8.86,2.83,;-10.19,3.6,;-11.52,2.83,;-11.52,1.29,;-10.19,.52,;-8.86,1.29,;-6.19,1.29,;-4.86,.52,;-3.52,1.29,;-2.19,.52,;-2.19,-1.02,;-3.52,-1.79,;-3.52,-3.33,;-2.19,-4.1,;-.86,-3.33,;.61,-3.81,;1.51,-2.56,;3.05,-2.56,;3.82,-1.23,;3.05,.1,;5.36,-1.23,;6.13,.1,;7.67,.1,;8.44,-1.23,;7.67,-2.56,;6.13,-2.56,;9.98,-1.23,;11.52,-1.23,;.48,-1.02,;.48,.52,;-.86,1.29,;-.86,2.83,;-.86,-1.79,)|
CN1CCC(CC1)C(=O)Nc1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(9.98,-1.23,;8.44,-1.23,;7.67,.1,;6.13,.1,;5.36,-1.23,;6.13,-2.56,;7.67,-2.56,;3.82,-1.23,;3.05,.1,;3.05,-2.56,;1.51,-2.56,;.61,-3.81,;-.86,-3.33,;-2.19,-4.1,;-3.52,-3.33,;-3.52,-1.79,;-2.19,-1.02,;-2.19,.52,;-3.52,1.29,;-4.86,.52,;-6.19,1.29,;-6.19,2.83,;-7.52,3.6,;-8.86,2.83,;-10.19,3.6,;-11.52,2.83,;-11.52,1.29,;-10.19,.52,;-8.86,1.29,;-4.86,3.6,;-3.52,2.83,;-2.19,3.6,;-.86,1.29,;-.86,2.83,;.48,.52,;.48,-1.02,;-.86,-1.79,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)S(=O)(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-2.17,5.21,;-3.5,4.44,;-4.84,5.21,;-6.17,4.44,;-7.51,5.21,;-8.84,4.44,;-10.17,5.21,;-11.51,4.44,;-11.51,2.9,;-10.17,2.13,;-8.84,2.9,;-6.17,2.9,;-4.84,2.13,;-3.5,2.9,;-2.17,2.13,;-2.17,.59,;-3.5,-.18,;-3.5,-1.72,;-2.17,-2.49,;-.84,-1.72,;.5,-2.31,;1.45,-.87,;2.99,-.87,;3.76,.47,;3.76,-2.2,;5.3,-2.2,;6.2,-.95,;7.67,-1.43,;7.67,-2.97,;6.2,-3.45,;8.91,-3.88,;8.14,-5.21,;9.68,-2.54,;10.13,-4.89,;11.51,-4.21,;.5,.59,;.5,2.13,;-.84,2.9,;-.84,4.44,;-.84,-.18,)|
Cc1cc(ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wD:18.18,(-4.33,-1.22,;-3.96,.27,;-5.06,1.34,;-4.69,2.84,;-3.21,3.26,;-2.1,2.19,;-2.48,.7,;-1.37,-.38,;-1.88,-2.14,;-3.21,-2.91,;-3.21,-4.45,;-1.88,-5.22,;-.54,-4.45,;.92,-4.93,;1.83,-3.68,;3.37,-3.68,;4.14,-5.02,;4.14,-2.35,;5.68,-2.35,;6.45,-1.01,;7.99,-1.01,;8.76,-2.35,;7.99,-3.68,;6.45,-3.68,;8.76,-5.02,;7.99,-6.35,;10.3,-5.02,;11.07,-6.35,;12.61,-6.35,;13.94,-7.12,;13.94,-5.58,;11.07,-3.68,;11.84,-2.35,;.92,-2.44,;1.24,-.93,;.1,.1,;.42,1.61,;-.54,-2.91,;-5.8,3.91,;-5.42,5.4,;-7.28,3.48,;-8.38,4.55,;-9.86,4.13,;-10.97,5.2,;-10.6,6.7,;-9.12,7.12,;-8.01,6.05,;-12.45,4.78,;-13.94,4.38,;-12.85,6.27,;-12.05,3.29,)|
Fc1cc(ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wU:18.18,(-.62,1.66,;-2.1,1.24,;-3.21,2.31,;-4.69,1.89,;-5.06,.39,;-3.96,-.68,;-2.48,-.25,;-1.37,-1.32,;-1.88,-3.09,;-3.21,-3.86,;-3.21,-5.4,;-1.88,-6.17,;-.54,-5.4,;.92,-5.88,;1.83,-4.63,;3.37,-4.63,;4.14,-5.96,;4.14,-3.3,;5.68,-3.3,;6.45,-4.63,;7.99,-4.63,;8.76,-3.3,;7.99,-1.96,;6.45,-1.96,;8.76,-.63,;7.99,.7,;10.3,-.63,;11.07,.7,;12.61,.7,;13.94,1.47,;13.94,-.07,;11.07,-1.96,;11.84,-3.3,;.92,-3.38,;1.24,-1.88,;.1,-.85,;.42,.66,;-.54,-3.86,;-5.8,2.96,;-5.42,4.45,;-7.28,2.54,;-8.38,3.61,;-9.86,3.18,;-10.97,4.25,;-10.6,5.75,;-9.12,6.17,;-8.01,5.1,;-12.45,3.83,;-13.94,3.43,;-12.85,5.32,;-12.05,2.34,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C#N)c([nH]c1=O)c23 |r,wU:25.26,(-1.59,4.33,;-2.92,3.56,;-4.25,4.33,;-5.59,3.56,;-6.92,4.33,;-8.25,3.56,;-9.59,4.33,;-10.92,3.56,;-10.92,2.02,;-9.59,1.25,;-8.25,2.02,;-5.59,2.02,;-4.25,1.25,;-2.92,2.02,;-1.59,1.25,;-1.59,-.29,;-2.92,-1.06,;-2.92,-2.6,;-1.59,-3.37,;-.25,-2.6,;1.08,-3.19,;2.03,-1.75,;3.57,-1.75,;4.34,-.41,;4.34,-3.08,;5.88,-3.08,;6.79,-4.33,;8.25,-3.85,;8.25,-2.31,;6.79,-1.84,;9.59,-1.54,;10.92,-.77,;1.08,-.29,;1.08,1.25,;-.25,2.02,;-.25,3.56,;-.25,-1.06,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)CC#N)c([nH]c1=O)c23 |r,wU:25.26,(-2.81,4.33,;-4.14,3.56,;-5.47,4.33,;-6.81,3.56,;-8.14,4.33,;-9.47,3.56,;-10.81,4.33,;-12.14,3.56,;-12.14,2.02,;-10.81,1.25,;-9.47,2.02,;-6.81,2.02,;-5.47,1.25,;-4.14,2.02,;-2.81,1.25,;-2.81,-.29,;-4.14,-1.06,;-4.14,-2.6,;-2.81,-3.37,;-1.47,-2.6,;-.14,-3.19,;.81,-1.75,;2.35,-1.75,;3.12,-.41,;3.12,-3.08,;4.66,-3.08,;5.57,-4.33,;7.03,-3.85,;7.03,-2.31,;5.57,-1.84,;8.28,-1.41,;8.12,.13,;9.69,-2.03,;10.93,-1.13,;12.14,-.28,;-.14,-.29,;-.14,1.25,;-1.47,2.02,;-1.47,3.56,;-1.47,-1.06,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.76,3.85,;-3.1,3.08,;-4.43,3.85,;-5.76,3.08,;-7.1,3.85,;-8.43,3.08,;-9.76,3.85,;-11.1,3.08,;-11.1,1.54,;-9.76,.77,;-8.43,1.54,;-5.76,1.54,;-4.43,.77,;-3.1,1.54,;-1.76,.77,;-1.76,-.77,;-3.1,-1.54,;-3.1,-3.08,;-1.76,-3.85,;-.43,-3.08,;.91,-3.67,;1.86,-2.23,;3.4,-2.23,;4.17,-3.56,;4.17,-.89,;5.71,-.89,;6.48,-2.23,;8.02,-2.23,;8.79,-.89,;8.02,.44,;6.48,.44,;8.79,1.78,;8.02,3.11,;10.33,1.78,;11.1,.44,;.91,-.77,;.91,.77,;-.43,1.54,;-.43,3.08,;-.43,-1.54,)|
O=C(N[C@@H]1CCCN(C1)C(=O)C(=C\C1CC1)\C#N)c1sc2nccc3n(-c4cccc(Oc5ccccc5)c4)c(=O)[nH]c1c23 |r|
COCCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.12,(12.25,-.89,;11.48,.44,;9.94,.44,;9.17,1.78,;7.63,1.78,;6.86,3.11,;6.86,.44,;7.63,-.89,;6.86,-2.22,;5.32,-2.22,;4.55,-.89,;5.32,.44,;3.01,-.89,;2.24,-2.22,;3.01,-3.56,;.7,-2.22,;-.25,-3.67,;-1.58,-3.08,;-2.92,-3.85,;-4.25,-3.08,;-4.25,-1.54,;-2.92,-.77,;-2.92,.77,;-4.25,1.54,;-5.58,.77,;-6.92,1.54,;-6.92,3.08,;-8.25,3.85,;-9.59,3.08,;-10.92,3.85,;-12.25,3.08,;-12.25,1.54,;-10.92,.77,;-9.59,1.54,;-5.58,3.85,;-4.25,3.08,;-2.92,3.85,;-1.58,1.54,;-1.58,3.08,;-.25,.77,;-.25,-.77,;-1.58,-1.54,)|
Cc1ccc(cc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23)-c1cccc(F)c1F |r,wU:18.18,(-1.76,3.85,;-3.1,3.08,;-4.43,3.85,;-5.76,3.08,;-5.76,1.54,;-4.43,.77,;-3.1,1.54,;-1.76,.77,;-1.76,-.77,;-3.1,-1.54,;-3.1,-3.08,;-1.76,-3.85,;-.43,-3.08,;.91,-3.67,;1.86,-2.23,;3.4,-2.23,;4.17,-3.56,;4.17,-.89,;5.71,-.89,;6.48,-2.23,;8.02,-2.23,;8.79,-.89,;8.02,.44,;6.48,.44,;8.79,1.78,;8.02,3.11,;10.33,1.78,;11.1,.44,;.91,-.77,;.91,.77,;-.43,1.54,;-.43,3.08,;-.43,-1.54,;-7.1,.77,;-7.1,-.77,;-8.43,-1.54,;-9.76,-.77,;-9.76,.77,;-11.1,1.54,;-8.43,1.54,;-8.43,3.08,)|
CCC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.9,(11.42,-.53,;10.33,-1.62,;8.84,-1.22,;8.44,.27,;7.75,-2.31,;7.75,-3.85,;6.29,-4.33,;5.38,-3.08,;6.29,-1.84,;3.84,-3.08,;3.07,-1.75,;3.84,-.41,;1.54,-1.75,;.58,-3.19,;-.75,-2.6,;-2.08,-3.37,;-3.42,-2.6,;-3.42,-1.06,;-2.08,-.29,;-2.08,1.25,;-3.42,2.02,;-4.75,1.25,;-6.09,2.02,;-6.09,3.56,;-7.42,4.33,;-8.75,3.56,;-10.09,4.33,;-11.42,3.56,;-11.42,2.02,;-10.09,1.25,;-8.75,2.02,;-4.75,4.33,;-3.42,3.56,;-2.08,4.33,;-.75,2.02,;-.75,3.56,;.58,1.25,;.58,-.29,;-.75,-1.06,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:25.26,(-3.57,3.85,;-4.91,3.08,;-6.24,3.85,;-7.57,3.08,;-8.91,3.85,;-10.24,3.08,;-11.57,3.85,;-12.91,3.08,;-12.91,1.54,;-11.57,.77,;-10.24,1.54,;-7.57,1.54,;-6.24,.77,;-4.91,1.54,;-3.57,.77,;-3.57,-.77,;-4.91,-1.54,;-4.91,-3.08,;-3.57,-3.85,;-2.24,-3.08,;-.9,-3.67,;.05,-2.23,;1.59,-2.23,;2.36,-3.56,;2.36,-.89,;3.9,-.89,;4.8,-2.14,;6.27,-1.66,;6.27,-.12,;4.8,.35,;7.36,.97,;6.96,2.46,;8.84,.57,;9.93,1.66,;11.42,1.26,;12.51,.17,;12.91,1.66,;9.24,-.92,;9.64,-2.41,;-.9,-.77,;-.9,.77,;-2.24,1.54,;-2.24,3.08,;-2.24,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\CN4CCCC4)c([nH]c1=O)c23 |r,wU:25.26,(-3.84,4.19,;-5.18,3.42,;-6.51,4.19,;-7.84,3.42,;-9.18,4.19,;-10.51,3.42,;-11.85,4.19,;-13.18,3.42,;-13.18,1.88,;-11.85,1.11,;-10.51,1.88,;-7.84,1.88,;-6.51,1.11,;-5.18,1.88,;-3.84,1.11,;-3.84,-.43,;-5.18,-1.2,;-5.18,-2.74,;-3.84,-3.51,;-2.51,-2.74,;-1.18,-3.33,;-.22,-1.89,;1.32,-1.89,;2.09,-.55,;2.09,-3.22,;3.63,-3.22,;4.4,-4.55,;5.94,-4.55,;6.71,-3.22,;5.94,-1.89,;4.4,-1.89,;6.71,-.55,;5.94,.78,;8.25,-.55,;9.02,.78,;10.56,.78,;11.33,2.12,;12.86,2.28,;13.18,3.78,;11.85,4.55,;10.7,3.52,;-1.18,-.43,;-1.18,1.11,;-2.51,1.88,;-2.51,3.42,;-2.51,-1.2,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccn5)cc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2cccc(COc3ccccc3C#N)c2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:35.37,(1.59,2.69,;.26,1.92,;-1.07,2.69,;-2.41,1.92,;-3.74,2.69,;-5.07,1.92,;-5.07,.39,;-6.41,-.38,;-7.74,.39,;-7.74,1.92,;-9.07,2.69,;-10.41,1.92,;-11.74,2.69,;-11.74,4.23,;-13.08,5,;-14.41,4.23,;-14.41,2.69,;-13.08,1.92,;-13.08,.38,;-13.08,-1.16,;-6.41,2.69,;-2.41,.39,;-1.07,-.38,;.26,.39,;1.59,-.38,;1.59,-1.92,;.26,-2.69,;.26,-4.23,;1.59,-5,;2.93,-4.23,;4.26,-4.82,;5.21,-3.38,;6.75,-3.38,;7.52,-4.71,;7.52,-2.05,;9.06,-2.05,;9.97,-3.29,;11.43,-2.82,;11.43,-1.28,;9.97,-.8,;12.52,-.19,;12.12,1.3,;14.01,-.59,;14.41,-2.07,;4.26,-1.92,;4.26,-.38,;2.93,.39,;2.93,1.92,;2.93,-2.69,)|
CN[C@H](C)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.12,wD:2.2,(11.87,.96,;10.33,.96,;9.56,-.37,;10.33,-1.7,;8.02,-.37,;7.25,.96,;7.25,-1.7,;8.02,-3.04,;7.25,-4.37,;5.71,-4.37,;4.94,-3.04,;5.71,-1.7,;3.4,-3.04,;2.63,-1.7,;3.4,-.37,;1.09,-1.7,;.14,-3.15,;-1.2,-2.56,;-2.53,-3.33,;-3.87,-2.56,;-3.87,-1.02,;-2.53,-.25,;-2.53,1.29,;-3.87,2.06,;-5.2,1.29,;-6.53,2.06,;-6.53,3.6,;-7.87,4.37,;-9.2,3.6,;-10.53,4.37,;-11.87,3.6,;-11.87,2.06,;-10.53,1.29,;-9.2,2.06,;-5.2,4.37,;-3.87,3.6,;-2.53,4.37,;-1.2,2.06,;-1.2,3.6,;.14,1.29,;.14,-.25,;-1.2,-1.02,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)[C@H]4CCN4)c([nH]c1=O)c23 |r,wU:25.26,33.35,(-2.39,4.37,;-3.72,3.6,;-5.05,4.37,;-6.39,3.6,;-7.72,4.37,;-9.05,3.6,;-10.39,4.37,;-11.72,3.6,;-11.72,2.06,;-10.39,1.29,;-9.05,2.06,;-6.39,2.06,;-5.05,1.29,;-3.72,2.06,;-2.39,1.29,;-2.39,-.25,;-3.72,-1.02,;-3.72,-2.56,;-2.39,-3.33,;-1.05,-2.56,;.28,-3.15,;1.23,-1.7,;2.77,-1.7,;3.54,-.37,;3.54,-3.04,;5.08,-3.04,;5.85,-4.37,;7.39,-4.37,;8.16,-3.04,;7.39,-1.7,;5.85,-1.7,;8.16,-.37,;7.39,.96,;9.7,-.37,;10.71,.64,;11.72,-.37,;10.71,-1.38,;.28,-.25,;.28,1.29,;-1.05,2.06,;-1.05,3.6,;-1.05,-1.02,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:25.26,(-3.24,3.6,;-4.57,2.83,;-5.91,3.6,;-7.24,2.83,;-8.58,3.6,;-9.91,2.83,;-11.24,3.6,;-12.58,2.83,;-12.58,1.29,;-11.24,.52,;-9.91,1.29,;-7.24,1.29,;-5.91,.52,;-4.57,1.29,;-3.24,.52,;-3.24,-1.02,;-4.57,-1.79,;-4.57,-3.33,;-3.24,-4.1,;-1.91,-3.33,;-.44,-3.81,;.46,-2.56,;2,-2.56,;2.77,-3.9,;2.77,-1.23,;4.31,-1.23,;5.08,-2.56,;6.62,-2.56,;7.39,-1.23,;6.62,.1,;5.08,.1,;7.39,1.44,;6.62,2.77,;8.93,1.44,;9.7,.1,;11.24,.1,;12.58,-.67,;12.58,.87,;9.7,2.77,;10.47,4.1,;-.57,-1.02,;-.57,.52,;-1.91,1.29,;-1.91,2.83,;-1.91,-1.79,)|
O=C(NC1CCCN(C1)C(=O)C(=C\C1CC1)\C#N)c1sc2nccc3n(-c4cccc(Oc5ccccc5)c4)c(=O)[nH]c1c23
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C#N)c([nH]c1=O)c23 |r,wU:25.26,(-1.03,3.85,;-2.37,3.08,;-3.7,3.85,;-5.03,3.08,;-6.37,3.85,;-7.7,3.08,;-9.04,3.85,;-10.37,3.08,;-10.37,1.54,;-9.04,.77,;-7.7,1.54,;-5.03,1.54,;-3.7,.77,;-2.37,1.54,;-1.03,.77,;-1.03,-.77,;-2.37,-1.54,;-2.37,-3.08,;-1.03,-3.85,;.3,-3.08,;1.76,-3.56,;2.67,-2.31,;4.21,-2.31,;4.98,-3.64,;4.98,-.98,;6.52,-.98,;7.29,-2.31,;8.83,-2.31,;9.6,-.98,;8.83,.36,;7.29,.36,;9.6,1.69,;10.37,3.02,;1.63,-.77,;1.63,.77,;.3,1.54,;.3,3.08,;.3,-1.54,)|
CN[C@@H](C)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.12,2.2,(11.91,.92,;10.37,.92,;9.6,-.41,;10.37,-1.75,;8.06,-.41,;7.29,.92,;7.29,-1.75,;8.06,-3.08,;7.29,-4.41,;5.75,-4.41,;4.98,-3.08,;5.75,-1.75,;3.44,-3.08,;2.67,-1.75,;3.44,-.41,;1.13,-1.75,;.22,-2.99,;-1.24,-2.52,;-2.57,-3.29,;-3.91,-2.52,;-3.91,-.98,;-2.57,-.21,;-2.57,1.33,;-3.91,2.1,;-5.24,1.33,;-6.57,2.1,;-6.57,3.64,;-7.91,4.41,;-9.24,3.64,;-10.58,4.41,;-11.91,3.64,;-11.91,2.1,;-10.58,1.33,;-9.24,2.1,;-5.24,4.41,;-3.91,3.64,;-2.57,4.41,;-1.24,2.1,;-1.24,3.64,;.09,1.33,;.09,-.21,;-1.24,-.98,)|
Cc1ccccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:18.18,(-5.91,4.41,;-7.24,3.64,;-8.58,4.41,;-9.91,3.64,;-9.91,2.1,;-8.58,1.33,;-7.24,2.1,;-5.91,1.33,;-5.91,-.21,;-7.24,-.98,;-7.24,-2.52,;-5.91,-3.29,;-4.57,-2.52,;-3.11,-2.99,;-2.2,-1.75,;-.66,-1.75,;.11,-.41,;.11,-3.08,;1.65,-3.08,;2.42,-4.41,;3.96,-4.41,;4.73,-3.08,;3.96,-1.75,;2.42,-1.75,;4.73,-.41,;3.96,.92,;6.27,-.41,;7.04,-1.75,;8.58,-1.75,;9.91,-2.52,;9.91,-.98,;7.04,.92,;7.81,2.25,;-3.24,-.21,;-3.24,1.33,;-4.57,2.1,;-4.57,3.64,;-4.57,-.98,)|
CN1CCC(CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccc(COc6ccccc6C#N)c5)cc4C)c(=O)[nH]c1c23 |(14.09,-2.13,;12.55,-2.13,;11.78,-3.46,;10.24,-3.46,;9.47,-2.13,;10.24,-.8,;11.78,-.8,;7.93,-2.13,;7.16,-3.46,;7.93,-4.8,;5.62,-3.46,;4.71,-4.71,;3.25,-4.23,;1.92,-5.01,;.58,-4.23,;.58,-2.69,;1.92,-1.92,;1.92,-.38,;.58,.39,;-.75,-.38,;-2.09,.39,;-2.09,1.93,;-3.42,2.7,;-4.75,1.93,;-4.75,.39,;-6.09,-.38,;-7.42,.39,;-7.42,1.93,;-8.75,2.7,;-10.09,1.93,;-11.42,2.7,;-11.42,4.24,;-12.76,5.01,;-14.09,4.24,;-14.09,2.7,;-12.76,1.93,;-12.76,.39,;-12.76,-1.15,;-6.09,2.7,;-.75,2.7,;.58,1.93,;1.92,2.7,;3.25,.39,;3.25,1.93,;4.58,-.38,;4.58,-1.92,;3.25,-2.69,)|
COc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |(-12.58,5.01,;-11.24,4.24,;-11.24,2.7,;-12.58,1.93,;-12.58,.39,;-11.24,-.39,;-9.91,.39,;-9.91,1.93,;-8.58,2.7,;-7.24,1.93,;-7.24,.39,;-5.91,-.39,;-4.57,.39,;-4.57,1.93,;-3.24,2.7,;-5.91,2.7,;-3.24,-.39,;-3.24,-1.93,;-4.57,-2.7,;-4.57,-4.24,;-3.24,-5.01,;-1.91,-4.24,;-.44,-4.71,;.46,-3.47,;2,-3.47,;2.77,-4.8,;2.77,-2.13,;4.31,-2.13,;5.08,-3.47,;6.62,-3.47,;7.39,-2.13,;6.62,-.8,;5.08,-.8,;7.39,.54,;6.62,1.87,;8.93,.54,;9.7,-.8,;11.24,-.8,;12.58,-1.57,;12.58,-.03,;9.7,1.87,;10.47,3.2,;-.57,-1.93,;-.57,-.39,;-1.91,.39,;-1.91,1.93,;-1.91,-2.7,)|
Cc1cc(Oc2cccc(COc3ccccc3C#N)c2)ccc1-n1c2ccnc3sc(C(=O)NC4CCNCC4)c([nH]c1=O)c23 |(3.2,1.43,;1.72,1.02,;.62,2.1,;-.86,1.68,;-1.96,2.76,;-3.45,2.35,;-3.83,.86,;-5.32,.44,;-6.41,1.52,;-6.03,3.01,;-7.13,4.09,;-8.61,3.68,;-9.71,4.76,;-9.33,6.25,;-10.43,7.33,;-11.91,6.91,;-12.3,5.42,;-11.2,4.34,;-11.58,2.85,;-11.97,1.36,;-4.55,3.43,;-1.25,.19,;-.15,-.89,;1.33,-.47,;2.43,-1.55,;2.05,-3.04,;.57,-3.46,;.18,-4.95,;1.28,-6.03,;2.77,-5.61,;4.06,-6.44,;5.25,-5.46,;6.74,-5.84,;7.16,-7.33,;7.82,-4.74,;9.31,-5.13,;9.73,-6.61,;11.22,-7,;12.3,-5.9,;11.88,-4.41,;10.39,-4.03,;4.63,-3.71,;5.02,-2.22,;3.92,-1.14,;4.3,.35,;3.15,-4.12,)|
CN1CCC(CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(10.75,-.98,;9.21,-.98,;8.44,-2.31,;6.9,-2.31,;6.13,-.98,;6.9,.36,;8.44,.36,;4.59,-.98,;3.82,-2.31,;4.59,-3.64,;2.28,-2.31,;1.38,-3.56,;-.09,-3.08,;-1.42,-3.85,;-2.75,-3.08,;-2.75,-1.54,;-1.42,-.77,;-1.42,.77,;-2.75,1.54,;-4.09,.77,;-5.42,1.54,;-5.42,3.08,;-6.75,3.85,;-8.09,3.08,;-9.42,3.85,;-10.75,3.08,;-10.75,1.54,;-9.42,.77,;-8.09,1.54,;-4.09,3.85,;-2.75,3.08,;-1.42,3.85,;-.09,1.54,;-.09,3.08,;1.25,.77,;1.25,-.77,;-.09,-1.54,)|
Cc1ccc(Oc2ccccc2)cc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:25.26,(-3.24,4.41,;-4.57,3.64,;-5.91,4.41,;-7.24,3.64,;-7.24,2.1,;-8.58,1.33,;-9.91,2.1,;-11.24,1.33,;-12.58,2.1,;-12.58,3.64,;-11.24,4.41,;-9.91,3.64,;-5.91,1.33,;-4.57,2.1,;-3.24,1.33,;-3.24,-.21,;-4.57,-.98,;-4.57,-2.52,;-3.24,-3.29,;-1.91,-2.52,;-.44,-2.99,;.46,-1.75,;2,-1.75,;2.77,-.41,;2.77,-3.08,;4.31,-3.08,;5.08,-4.41,;6.62,-4.41,;7.39,-3.08,;6.62,-1.75,;5.08,-1.75,;7.39,-.41,;6.62,.92,;8.93,-.41,;9.7,-1.75,;11.24,-1.75,;12.58,-2.52,;12.58,-.98,;9.7,.92,;10.47,2.25,;-.57,-.21,;-.57,1.33,;-1.91,2.1,;-1.91,3.64,;-1.91,-.98,)|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2cccc(COc3ccccc3C#N)c2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:35.37,(.09,2.69,;-1.24,1.93,;-2.57,2.69,;-3.91,1.93,;-5.24,2.69,;-6.57,1.93,;-6.57,.38,;-7.91,-.38,;-9.24,.38,;-9.24,1.93,;-10.58,2.7,;-11.91,1.93,;-13.24,2.7,;-13.24,4.24,;-14.58,5.01,;-15.91,4.24,;-15.91,2.7,;-14.58,1.93,;-14.58,.38,;-14.58,-1.15,;-7.91,2.69,;-3.91,.38,;-2.57,-.38,;-1.24,.38,;.09,-.38,;.09,-1.93,;-1.24,-2.7,;-1.24,-4.24,;.09,-5.01,;1.43,-4.24,;2.89,-4.71,;3.8,-3.47,;5.34,-3.47,;6.11,-4.8,;6.11,-2.13,;7.65,-2.13,;8.42,-3.47,;9.96,-3.47,;10.73,-2.13,;9.96,-.8,;8.42,-.8,;10.73,.54,;9.96,1.87,;12.27,.54,;13.04,-.8,;14.58,-.8,;15.91,-1.57,;15.91,-.03,;13.04,1.87,;13.81,3.2,;2.76,-1.93,;2.76,-.38,;1.43,.38,;1.43,1.93,;1.43,-2.7,)|
COc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:20.20,(-11.24,3.64,;-9.91,4.41,;-8.58,3.64,;-8.58,2.1,;-7.24,1.33,;-5.91,2.1,;-5.91,3.64,;-4.57,4.41,;-7.24,4.41,;-4.57,1.33,;-4.57,-.21,;-5.91,-.98,;-5.91,-2.52,;-4.57,-3.29,;-3.24,-2.52,;-1.78,-2.99,;-.87,-1.75,;.67,-1.75,;1.44,-.41,;1.44,-3.08,;2.98,-3.08,;3.75,-4.41,;5.29,-4.41,;6.06,-3.08,;5.29,-1.75,;3.75,-1.75,;6.06,-.41,;5.29,.92,;7.6,-.41,;8.37,-1.75,;9.91,-1.75,;11.24,-2.52,;11.24,-.98,;8.37,.92,;9.14,2.25,;-1.91,-.21,;-1.91,1.33,;-3.24,2.1,;-3.24,3.64,;-3.24,-.98,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.8,3.85,;-3.14,3.08,;-4.47,3.85,;-5.8,3.08,;-7.14,3.85,;-8.47,3.08,;-9.81,3.85,;-11.14,3.08,;-11.14,1.54,;-9.81,.77,;-8.47,1.54,;-5.8,1.54,;-4.47,.77,;-3.14,1.54,;-1.8,.77,;-1.8,-.77,;-3.14,-1.54,;-3.14,-3.08,;-1.8,-3.85,;-.47,-3.08,;.99,-3.56,;1.9,-2.31,;3.44,-2.31,;4.21,-3.64,;4.21,-.98,;5.75,-.98,;6.52,-2.31,;8.06,-2.31,;8.83,-.98,;8.06,.36,;6.52,.36,;8.83,1.69,;8.06,3.02,;10.37,1.69,;11.14,.36,;.86,-.77,;.86,.77,;-.47,1.54,;-.47,3.08,;-.47,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.58,3.85,;-2.92,3.08,;-4.25,3.85,;-5.58,3.08,;-6.92,3.85,;-8.25,3.08,;-9.58,3.85,;-10.92,3.08,;-10.92,1.54,;-9.58,.77,;-8.25,1.54,;-5.58,1.54,;-4.25,.77,;-2.92,1.54,;-1.58,.77,;-1.58,-.77,;-2.92,-1.54,;-2.92,-3.08,;-1.58,-3.85,;-.25,-3.08,;1.22,-3.56,;2.12,-2.31,;3.66,-2.31,;4.43,-3.64,;4.43,-.98,;5.97,-.98,;6.88,-2.22,;8.34,-1.75,;8.34,-.21,;6.88,.27,;9.43,.88,;10.92,.48,;9.03,2.37,;10.12,3.46,;1.09,-.77,;1.09,.77,;-.25,1.54,;-.25,3.08,;-.25,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCNCC4)c([nH]c1=O)c23 |(-.65,3.85,;-1.98,3.08,;-3.32,3.85,;-4.65,3.08,;-5.98,3.85,;-7.32,3.08,;-8.65,3.85,;-9.98,3.08,;-9.98,1.54,;-8.65,.77,;-7.32,1.54,;-4.65,1.54,;-3.32,.77,;-1.98,1.54,;-.65,.77,;-.65,-.77,;-1.98,-1.54,;-1.98,-3.08,;-.65,-3.85,;.68,-3.08,;2.15,-3.56,;3.05,-2.31,;4.59,-2.31,;5.36,-3.64,;5.36,-.98,;6.9,-.98,;7.67,-2.31,;9.21,-2.31,;9.98,-.98,;9.21,.36,;7.67,.36,;2.02,-.77,;2.02,.77,;.68,1.54,;.68,3.08,;.68,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C(C)(C)C)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-3.34,6.41,;-4.68,5.64,;-6.01,6.41,;-7.34,5.64,;-8.68,6.41,;-10.01,5.64,;-11.35,6.41,;-12.68,5.64,;-12.68,4.1,;-11.35,3.33,;-10.01,4.1,;-7.34,4.1,;-6.01,3.33,;-4.68,4.1,;-3.34,3.33,;-3.34,1.79,;-4.68,1.02,;-4.68,-.52,;-3.34,-1.29,;-2.01,-.52,;-.55,-.99,;.36,.25,;1.9,.25,;2.67,1.59,;2.67,-1.08,;4.21,-1.08,;4.98,.25,;6.52,.25,;7.29,-1.08,;6.52,-2.41,;4.98,-2.41,;7.29,-3.75,;6.52,-5.08,;8.83,-3.75,;9.6,-2.41,;11.14,-2.41,;11.91,-1.08,;12.68,-2.41,;11.91,-3.75,;9.6,-5.08,;10.37,-6.41,;-.68,1.79,;-.68,3.33,;-2.01,4.1,;-2.01,5.64,;-2.01,1.02,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\CN4CCCC4)c([nH]c1=O)c23 |r,wU:25.26,(-3.97,2.41,;-5.3,1.64,;-6.63,2.41,;-7.97,1.64,;-9.3,2.41,;-10.64,1.64,;-11.97,2.41,;-13.3,1.64,;-13.3,.1,;-11.97,-.67,;-10.64,.1,;-7.97,.1,;-6.63,-.67,;-5.3,.1,;-3.97,-.67,;-3.97,-2.21,;-5.3,-2.98,;-5.3,-4.52,;-3.97,-5.29,;-2.63,-4.52,;-1.17,-5,;-.26,-3.75,;1.28,-3.75,;2.05,-5.08,;2.05,-2.42,;3.59,-2.42,;4.36,-3.75,;5.9,-3.75,;6.67,-2.42,;5.9,-1.08,;4.36,-1.08,;6.67,.25,;5.9,1.59,;8.21,.25,;8.98,1.59,;10.52,1.59,;11.29,2.92,;12.83,2.92,;13.3,4.38,;12.06,5.29,;10.81,4.38,;-1.3,-2.21,;-1.3,-.67,;-2.63,.1,;-2.63,1.64,;-2.63,-2.98,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C(=C\C(C)(C)C)\C#N)c([nH]c1=O)c23 |r,wU:25.26,(-3.27,3.85,;-4.6,3.08,;-5.94,3.85,;-7.27,3.08,;-8.6,3.85,;-9.94,3.08,;-11.27,3.85,;-12.6,3.08,;-12.6,1.54,;-11.27,.77,;-9.94,1.54,;-7.27,1.54,;-5.94,.77,;-4.6,1.54,;-3.27,.77,;-3.27,-.77,;-4.6,-1.54,;-4.6,-3.08,;-3.27,-3.85,;-1.94,-3.08,;-.47,-3.56,;.43,-2.31,;1.97,-2.31,;2.74,-3.64,;2.74,-.98,;4.28,-.98,;5.19,-2.22,;6.65,-1.75,;6.65,-.21,;5.19,.27,;7.74,.88,;7.34,2.37,;9.23,.48,;9.63,-1,;11.12,-1.4,;11.52,-2.89,;12.21,-.31,;12.6,-1.8,;10.32,1.57,;11.41,2.66,;-.6,-.77,;-.6,.77,;-1.94,1.54,;-1.94,3.08,;-1.94,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCNC4)c([nH]c1=O)c23 |r,wU:25.26,(-3.27,3.85,;-4.6,3.08,;-5.94,3.85,;-7.27,3.08,;-8.6,3.85,;-9.94,3.08,;-11.27,3.85,;-12.6,3.08,;-12.6,1.54,;-11.27,.77,;-9.94,1.54,;-7.27,1.54,;-5.94,.77,;-4.6,1.54,;-3.27,.77,;-3.27,-.77,;-4.6,-1.54,;-4.6,-3.08,;-3.27,-3.85,;-1.94,-3.08,;-.47,-3.56,;.43,-2.31,;1.97,-2.31,;2.74,-3.64,;2.74,-.98,;4.28,-.98,;5.05,.36,;6.59,.36,;7.36,-.98,;6.59,-2.31,;5.05,-2.31,;-.6,-.77,;-.6,.77,;-1.94,1.54,;-1.94,3.08,;-1.94,-1.54,)|
COc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)NC4CCCNC4)c([nH]c1=O)c23 |(-9.98,5,;-8.65,4.24,;-8.65,2.7,;-9.98,1.93,;-9.98,.39,;-8.65,-.38,;-7.32,.39,;-7.32,1.93,;-5.98,2.7,;-4.65,1.93,;-4.65,.39,;-3.32,-.38,;-1.98,.39,;-1.98,1.93,;-.65,2.7,;-3.32,2.7,;-.65,-.38,;-.65,-1.92,;-1.98,-2.69,;-1.98,-4.23,;-.65,-5,;.68,-4.23,;2.15,-4.71,;3.05,-3.46,;4.59,-3.46,;5.36,-4.8,;5.36,-2.13,;6.9,-2.13,;7.67,-3.46,;9.21,-3.46,;9.98,-2.13,;9.21,-.8,;7.67,-.8,;2.02,-1.92,;2.02,-.38,;.68,.39,;.68,1.93,;.68,-2.69,)|
CCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:8.10,(11.14,.36,;10.37,1.69,;8.83,1.69,;8.06,3.02,;8.06,.36,;8.83,-.98,;8.06,-2.31,;6.52,-2.31,;5.75,-.98,;6.52,.36,;4.21,-.98,;3.44,-2.31,;4.21,-3.64,;1.9,-2.31,;.99,-3.56,;-.47,-3.08,;-1.8,-3.85,;-3.14,-3.08,;-3.14,-1.54,;-1.8,-.77,;-1.8,.77,;-3.14,1.54,;-4.47,.77,;-5.81,1.54,;-5.81,3.08,;-7.14,3.85,;-8.47,3.08,;-9.81,3.85,;-11.14,3.08,;-11.14,1.54,;-9.81,.77,;-8.47,1.54,;-4.47,3.85,;-3.14,3.08,;-1.8,3.85,;-.47,1.54,;-.47,3.08,;.86,.77,;.86,-.77,;-.47,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCN(CC4)C#N)c([nH]c1=O)c23 |(-2.19,4.41,;-3.52,3.64,;-4.86,4.41,;-6.19,3.64,;-7.52,4.41,;-8.86,3.64,;-10.19,4.41,;-11.52,3.64,;-11.52,2.1,;-10.19,1.33,;-8.86,2.1,;-6.19,2.1,;-4.86,1.33,;-3.52,2.1,;-2.19,1.33,;-2.19,-.21,;-3.52,-.98,;-3.52,-2.52,;-2.19,-3.29,;-.86,-2.52,;.61,-2.99,;1.51,-1.75,;3.05,-1.75,;3.82,-.41,;3.82,-3.08,;5.36,-3.08,;6.13,-4.41,;7.67,-4.41,;8.44,-3.08,;7.67,-1.75,;6.13,-1.75,;9.98,-3.08,;11.52,-3.08,;.48,-.21,;.48,1.33,;-.86,2.1,;-.86,3.64,;-.86,-.98,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.98,1.69,;9.21,.36,;9.98,-.98,;9.21,-2.31,;7.67,-2.31,;6.9,-.98,;7.67,.36,;5.36,-.98,;4.59,-2.31,;5.36,-3.64,;3.05,-2.31,;2.15,-3.56,;.68,-3.08,;-.65,-3.85,;-1.98,-3.08,;-1.98,-1.54,;-.65,-.77,;-.65,.77,;-1.98,1.54,;-3.32,.77,;-4.65,1.54,;-4.65,3.08,;-5.98,3.85,;-7.32,3.08,;-8.65,3.85,;-9.98,3.08,;-9.98,1.54,;-8.65,.77,;-7.32,1.54,;-3.32,3.85,;-1.98,3.08,;-.65,3.85,;.68,1.54,;.68,3.08,;2.02,.77,;2.02,-.77,;.68,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CC#N)c([nH]c1=O)c23 |r,wU:25.26,(-.65,3.85,;-1.98,3.08,;-3.32,3.85,;-4.65,3.08,;-5.98,3.85,;-7.32,3.08,;-8.65,3.85,;-9.98,3.08,;-9.98,1.54,;-8.65,.77,;-7.32,1.54,;-4.65,1.54,;-3.32,.77,;-1.98,1.54,;-.65,.77,;-.65,-.77,;-1.98,-1.54,;-1.98,-3.08,;-.65,-3.85,;.68,-3.08,;2.15,-3.56,;3.05,-2.31,;4.59,-2.31,;5.36,-3.64,;5.36,-.98,;6.9,-.98,;7.67,-2.31,;9.21,-2.31,;9.98,-.98,;9.21,.36,;7.67,.36,;9.98,1.69,;11.52,1.69,;9.21,3.02,;7.67,3.02,;6.13,3.02,;2.02,-.77,;2.02,.77,;.68,1.54,;.68,3.08,;.68,-1.54,)|
Cc1ccc(Oc2ccccc2)cc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:25.26,(-3.24,4.41,;-4.57,3.64,;-5.91,4.41,;-7.24,3.64,;-7.24,2.1,;-8.58,1.33,;-9.91,2.1,;-9.91,3.64,;-11.24,4.41,;-12.58,3.64,;-12.58,2.1,;-11.24,1.33,;-5.91,1.33,;-4.57,2.1,;-3.24,1.33,;-3.24,-.21,;-4.57,-.98,;-4.57,-2.52,;-3.24,-3.29,;-1.91,-2.52,;-.44,-2.99,;.46,-1.75,;2,-1.75,;2.77,-.41,;2.77,-3.08,;4.31,-3.08,;5.08,-4.41,;6.62,-4.41,;7.39,-3.08,;6.62,-1.75,;5.08,-1.75,;7.39,-.41,;6.62,.92,;8.93,-.41,;9.7,-1.75,;11.24,-1.75,;12.58,-2.52,;12.58,-.98,;9.7,.92,;10.47,2.25,;-.57,-.21,;-.57,1.33,;-1.91,2.1,;-1.91,3.64,;-1.91,-.98,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C4CCCN4)c([nH]c1=O)c23 |r,wU:25.26,(-2.6,4.41,;-3.94,3.64,;-5.27,4.41,;-6.6,3.64,;-7.94,4.41,;-9.27,3.64,;-10.61,4.41,;-11.94,3.64,;-11.94,2.1,;-10.61,1.33,;-9.27,2.1,;-6.6,2.1,;-5.27,1.33,;-3.94,2.1,;-2.6,1.33,;-2.6,-.21,;-3.94,-.98,;-3.94,-2.52,;-2.6,-3.29,;-1.27,-2.52,;.19,-2.99,;1.1,-1.75,;2.64,-1.75,;3.41,-.41,;3.41,-3.08,;4.95,-3.08,;5.72,-4.41,;7.26,-4.41,;8.03,-3.08,;7.26,-1.75,;5.72,-1.75,;8.03,-.41,;7.26,.92,;9.57,-.41,;10.47,-1.66,;11.94,-1.18,;11.94,.36,;10.47,.83,;.06,-.21,;.06,1.33,;-1.27,2.1,;-1.27,3.64,;-1.27,-.98,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |(-3.24,4.41,;-4.57,3.64,;-5.91,4.41,;-7.24,3.64,;-8.58,4.41,;-9.91,3.64,;-11.24,4.41,;-12.58,3.64,;-12.58,2.1,;-11.24,1.33,;-9.91,2.1,;-7.24,2.1,;-5.91,1.33,;-4.57,2.1,;-3.24,1.33,;-3.24,-.21,;-4.57,-.98,;-4.57,-2.52,;-3.24,-3.29,;-1.91,-2.52,;-.44,-2.99,;.46,-1.75,;2,-1.75,;2.77,-.41,;2.77,-3.08,;4.31,-3.08,;5.08,-4.41,;6.62,-4.41,;7.39,-3.08,;6.62,-1.75,;5.08,-1.75,;7.39,-.41,;6.62,.92,;8.93,-.41,;9.7,-1.75,;11.24,-1.75,;12.58,-2.52,;12.58,-.98,;9.7,.92,;10.47,2.25,;-.57,-.21,;-.57,1.33,;-1.91,2.1,;-1.91,3.64,;-1.91,-.98,)|
COc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |(-11.24,3.08,;-9.91,3.85,;-8.58,3.08,;-8.58,1.54,;-7.24,.77,;-5.91,1.54,;-5.91,3.08,;-4.57,3.85,;-7.24,3.85,;-4.57,.77,;-4.57,-.77,;-5.91,-1.54,;-5.91,-3.08,;-4.57,-3.85,;-3.24,-3.08,;-1.78,-3.56,;-.87,-2.31,;.67,-2.31,;1.44,-3.64,;1.44,-.98,;2.98,-.98,;3.75,-2.31,;5.29,-2.31,;6.06,-.98,;5.29,.36,;3.75,.36,;6.06,1.69,;5.29,3.02,;7.6,1.69,;8.37,3.02,;9.91,3.02,;11.24,3.79,;11.24,2.25,;8.37,.36,;9.14,-.98,;-1.91,-.77,;-1.91,.77,;-3.24,1.54,;-3.24,3.08,;-3.24,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C=O)c([nH]c1=O)c23 |r,wD:25.26,(-.65,3.85,;-1.98,3.08,;-3.32,3.85,;-4.65,3.08,;-5.98,3.85,;-7.32,3.08,;-8.65,3.85,;-9.98,3.08,;-9.98,1.54,;-8.65,.77,;-7.32,1.54,;-4.65,1.54,;-3.32,.77,;-1.98,1.54,;-.65,.77,;-.65,-.77,;-1.98,-1.54,;-1.98,-3.08,;-.65,-3.85,;.68,-3.08,;2.15,-3.56,;3.05,-2.31,;4.59,-2.31,;5.36,-3.64,;5.36,-.98,;6.9,-.98,;7.67,-2.31,;9.21,-2.31,;9.98,-.98,;9.21,.36,;7.67,.36,;9.98,1.69,;9.21,3.02,;2.02,-.77,;2.02,.77,;.68,1.54,;.68,3.08,;.68,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C(C)(C)C)\C#N)c([nH]c1=O)c23 |r,wU:25.26,(-3.32,3.53,;-4.66,2.76,;-5.99,3.53,;-7.32,2.76,;-8.66,3.53,;-9.99,2.76,;-11.32,3.53,;-12.66,2.76,;-12.66,1.22,;-11.32,.45,;-9.99,1.22,;-7.32,1.22,;-5.99,.45,;-4.66,1.22,;-3.32,.45,;-3.32,-1.09,;-4.66,-1.86,;-4.66,-3.4,;-3.32,-4.17,;-1.99,-3.4,;-.5,-3.79,;.34,-2.5,;1.88,-2.5,;2.65,-3.84,;2.65,-1.17,;4.19,-1.17,;4.96,-2.5,;6.5,-2.5,;7.27,-1.17,;6.5,.16,;4.96,.16,;7.27,1.5,;6.5,2.83,;8.81,1.5,;9.58,.16,;11.12,.16,;11.89,-1.17,;11.89,1.5,;12.66,.16,;9.58,2.83,;10.35,4.17,;-.65,-1.09,;-.65,.45,;-1.99,1.22,;-1.99,2.76,;-1.99,-1.86,)|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccn5)cc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C(=O)CC#N)c([nH]c1=O)c23 |(-2.17,4.35,;-3.5,3.58,;-4.83,4.35,;-6.17,3.58,;-7.5,4.35,;-8.84,3.58,;-10.17,4.35,;-11.5,3.58,;-11.5,2.04,;-10.17,1.27,;-8.84,2.04,;-6.17,2.04,;-4.83,1.27,;-3.5,2.04,;-2.17,1.27,;-2.17,-.27,;-3.5,-1.04,;-3.5,-2.58,;-2.17,-3.35,;-.83,-2.58,;.65,-2.98,;1.49,-1.68,;3.03,-1.68,;3.8,-.35,;3.8,-3.02,;5.34,-3.02,;6.11,-4.35,;7.65,-4.35,;8.42,-3.02,;7.65,-1.68,;6.11,-1.68,;8.42,-.35,;7.65,.98,;9.96,-.35,;10.73,-1.68,;11.5,-3.02,;.5,-.27,;.5,1.27,;-.83,2.04,;-.83,3.58,;-.83,-1.04,)|
COc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C#N)c([nH]c1=O)c23 |(-10.35,5.01,;-9.01,4.23,;-9.01,2.7,;-10.35,1.92,;-10.35,.39,;-9.01,-.39,;-7.68,.39,;-7.68,1.92,;-6.35,2.7,;-5.01,1.92,;-5.01,.39,;-3.68,-.39,;-2.35,.39,;-2.35,1.92,;-1.01,2.7,;-3.68,2.7,;-1.01,-.39,;-1.01,-1.92,;-2.35,-2.7,;-2.35,-4.23,;-1.01,-5.01,;.32,-4.23,;1.81,-4.63,;2.65,-3.34,;4.19,-3.34,;4.96,-4.68,;4.96,-2.01,;6.5,-2.01,;7.27,-3.34,;8.81,-3.34,;9.58,-2.01,;8.81,-.67,;7.27,-.67,;9.58,.66,;10.35,1.99,;1.66,-1.92,;1.66,-.39,;.32,.39,;.32,1.92,;.32,-2.7,)|
COc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)NC4CCN(CC4)C#N)c([nH]c1=O)c23 |(-8.84,5,;-10.17,4.23,;-10.17,2.69,;-11.5,1.92,;-11.5,.39,;-10.17,-.39,;-8.84,.39,;-8.84,1.92,;-7.5,2.69,;-6.17,1.92,;-6.17,.39,;-4.83,-.39,;-3.5,.39,;-3.5,1.92,;-2.17,2.69,;-4.83,2.69,;-2.17,-.39,;-2.17,-1.92,;-3.5,-2.69,;-3.5,-4.23,;-2.17,-5,;-.83,-4.23,;.65,-4.63,;1.49,-3.34,;3.03,-3.34,;3.8,-4.68,;3.8,-2.01,;5.34,-2.01,;6.11,-3.34,;7.65,-3.34,;8.42,-2.01,;7.65,-.67,;6.11,-.67,;9.96,-2.01,;11.5,-2.01,;.5,-1.92,;.5,-.39,;-.83,.39,;-.83,1.92,;-.83,-2.69,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C=O)c([nH]c1=O)c23 |r,wU:25.26,(-.63,3.85,;-1.96,3.08,;-3.29,3.85,;-4.63,3.08,;-5.96,3.85,;-7.3,3.08,;-8.63,3.85,;-9.96,3.08,;-9.96,1.54,;-8.63,.77,;-7.3,1.54,;-4.63,1.54,;-3.29,.77,;-1.96,1.54,;-.63,.77,;-.63,-.77,;-1.96,-1.54,;-1.96,-3.08,;-.63,-3.85,;.71,-3.08,;2.19,-3.48,;3.03,-2.19,;4.57,-2.19,;5.34,-3.52,;5.34,-.85,;6.88,-.85,;7.65,-2.19,;9.19,-2.19,;9.96,-.85,;9.19,.48,;7.65,.48,;9.96,1.81,;9.19,3.15,;2.04,-.77,;2.04,.77,;.71,1.54,;.71,3.08,;.71,-1.54,)|
Cc1ccccc1-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |(-5.89,4.35,;-7.22,3.58,;-8.55,4.35,;-9.89,3.58,;-9.89,2.04,;-8.55,1.27,;-7.22,2.04,;-5.89,1.27,;-5.89,-.27,;-7.22,-1.04,;-7.22,-2.58,;-5.89,-3.35,;-4.55,-2.58,;-3.07,-2.98,;-2.23,-1.68,;-.69,-1.68,;.08,-.35,;.08,-3.02,;1.62,-3.02,;2.39,-4.35,;3.93,-4.35,;4.7,-3.02,;3.93,-1.68,;2.39,-1.68,;4.7,-.35,;3.93,.98,;6.24,-.35,;7.01,.98,;8.55,.98,;9.89,.21,;9.89,1.75,;7.01,-1.68,;7.78,-3.02,;-3.22,-.27,;-3.22,1.27,;-4.55,2.04,;-4.55,3.58,;-4.55,-1.04,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C#N)c([nH]c1=O)c23 |r,wD:25.26,(-1.01,3.85,;-2.35,3.08,;-3.68,3.85,;-5.01,3.08,;-6.35,3.85,;-7.68,3.08,;-9.01,3.85,;-10.35,3.08,;-10.35,1.54,;-9.01,.77,;-7.68,1.54,;-5.01,1.54,;-3.68,.77,;-2.35,1.54,;-1.01,.77,;-1.01,-.77,;-2.35,-1.54,;-2.35,-3.08,;-1.01,-3.85,;.32,-3.08,;1.81,-3.48,;2.65,-2.19,;4.19,-2.19,;4.96,-3.52,;4.96,-.85,;6.5,-.85,;7.27,-2.19,;8.81,-2.19,;9.58,-.85,;8.81,.48,;7.27,.48,;9.58,1.81,;10.35,3.15,;1.66,-.77,;1.66,.77,;.32,1.54,;.32,3.08,;.32,-1.54,)|
CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCNC4)c([nH]c1=O)c23 |(-.63,4.35,;-1.96,3.58,;-3.29,4.35,;-4.63,3.58,;-5.96,4.35,;-7.3,3.58,;-8.63,4.35,;-9.96,3.58,;-9.96,2.04,;-8.63,1.27,;-7.3,2.04,;-4.63,2.04,;-3.29,1.27,;-1.96,2.04,;-.63,1.27,;-.63,-.27,;-1.96,-1.04,;-1.96,-2.58,;-.63,-3.35,;.71,-2.58,;2.19,-2.98,;3.03,-1.68,;4.57,-1.68,;5.34,-.35,;5.34,-3.02,;6.88,-3.02,;7.65,-4.35,;9.19,-4.35,;9.96,-3.02,;9.19,-1.68,;7.65,-1.68,;2.04,-.27,;2.04,1.27,;.71,2.04,;.71,3.58,;.71,-1.04,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C#N)c([nH]c1=O)c23 |(-1.01,4.35,;-2.35,3.58,;-3.68,4.35,;-5.01,3.58,;-6.35,4.35,;-7.68,3.58,;-9.01,4.35,;-10.35,3.58,;-10.35,2.04,;-9.01,1.27,;-7.68,2.04,;-5.01,2.04,;-3.68,1.27,;-2.35,2.04,;-1.01,1.27,;-1.01,-.27,;-2.35,-1.04,;-2.35,-2.58,;-1.01,-3.35,;.32,-2.58,;1.81,-2.98,;2.65,-1.68,;4.19,-1.68,;4.96,-.35,;4.96,-3.02,;6.5,-3.02,;7.27,-4.35,;8.81,-4.35,;9.58,-3.02,;8.81,-1.68,;7.27,-1.68,;9.58,-.35,;10.35,.98,;1.66,-.27,;1.66,1.27,;.32,2.04,;.32,3.58,;.32,-1.04,)|
CCC(=O)N1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:8.10,(11.12,.48,;10.35,1.81,;8.81,1.81,;8.04,3.15,;8.04,.48,;8.81,-.85,;8.04,-2.19,;6.5,-2.19,;5.73,-.85,;6.5,.48,;4.19,-.85,;3.42,-2.19,;4.19,-3.52,;1.88,-2.19,;1.04,-3.48,;-.45,-3.08,;-1.78,-3.85,;-3.12,-3.08,;-3.12,-1.54,;-1.78,-.77,;-1.78,.77,;-3.12,1.54,;-4.45,.77,;-5.78,1.54,;-5.78,3.08,;-7.12,3.85,;-8.45,3.08,;-9.78,3.85,;-11.12,3.08,;-11.12,1.54,;-9.78,.77,;-8.45,1.54,;-4.45,3.85,;-3.12,3.08,;-1.78,3.85,;-.45,1.54,;-.45,3.08,;.89,.77,;.89,-.77,;-.45,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)CC#N)c([nH]c1=O)c23 |r,wD:25.26,(-2.17,3.85,;-3.5,3.08,;-4.83,3.85,;-6.17,3.08,;-7.5,3.85,;-8.84,3.08,;-10.17,3.85,;-11.5,3.08,;-11.5,1.54,;-10.17,.77,;-8.84,1.54,;-6.17,1.54,;-4.83,.77,;-3.5,1.54,;-2.17,.77,;-2.17,-.77,;-3.5,-1.54,;-3.5,-3.08,;-2.17,-3.85,;-.83,-3.08,;.65,-3.48,;1.49,-2.19,;3.03,-2.19,;3.8,-3.52,;3.8,-.85,;5.34,-.85,;6.11,-2.19,;7.65,-2.19,;8.42,-.85,;7.65,.48,;6.11,.48,;8.42,1.81,;7.65,3.15,;9.96,1.81,;10.73,.48,;11.5,-.85,;.5,-.77,;.5,.77,;-.83,1.54,;-.83,3.08,;-.83,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C4CCCN4)c([nH]c1=O)c23 |r,wU:25.26,(-2.58,4.35,;-3.92,3.58,;-5.25,4.35,;-6.58,3.58,;-7.92,4.35,;-9.25,3.58,;-10.58,4.35,;-11.92,3.58,;-11.92,2.04,;-10.58,1.27,;-9.25,2.04,;-6.58,2.04,;-5.25,1.27,;-3.92,2.04,;-2.58,1.27,;-2.58,-.27,;-3.92,-1.04,;-3.92,-2.58,;-2.58,-3.35,;-1.25,-2.58,;.24,-2.98,;1.08,-1.68,;2.62,-1.68,;3.39,-.35,;3.39,-3.02,;4.93,-3.02,;5.7,-4.35,;7.24,-4.35,;8.01,-3.02,;7.24,-1.68,;5.7,-1.68,;8.01,-.35,;7.24,.98,;9.55,-.35,;10.45,-1.6,;11.92,-1.12,;11.92,.42,;10.45,.89,;.09,-.27,;.09,1.27,;-1.25,2.04,;-1.25,3.58,;-1.25,-1.04,)|
Cc1cc(Oc2cccc(COc3ccccc3C#N)c2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:35.37,(1.55,2.7,;.22,1.93,;-1.12,2.69,;-2.45,1.93,;-3.78,2.69,;-5.12,1.93,;-5.12,.38,;-6.45,-.38,;-7.78,.38,;-7.78,1.93,;-9.12,2.7,;-10.45,1.93,;-11.78,2.7,;-11.78,4.24,;-13.12,5.01,;-14.45,4.24,;-14.45,2.7,;-13.12,1.93,;-13.12,.39,;-13.12,-1.15,;-6.45,2.69,;-2.45,.38,;-1.12,-.38,;.22,.38,;1.55,-.38,;1.55,-1.92,;.22,-2.7,;.22,-4.23,;1.55,-5.01,;2.89,-4.23,;4.37,-4.63,;5.21,-3.34,;6.75,-3.34,;7.52,-4.68,;7.52,-2.01,;9.06,-2.01,;9.83,-3.34,;11.37,-3.34,;12.14,-2.01,;11.37,-.67,;9.83,-.67,;12.14,.66,;11.37,1.99,;13.68,.66,;14.45,-.67,;4.22,-1.92,;4.22,-.38,;2.89,.38,;2.89,1.93,;2.89,-2.7,)|
Cc1cc(ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wD:18.18,(-1.22,3.2,;-2.55,2.43,;-3.89,3.2,;-5.22,2.43,;-5.22,.89,;-3.89,.12,;-2.55,.89,;-1.22,.12,;-1.22,-1.42,;-2.55,-2.19,;-2.55,-3.73,;-1.22,-4.5,;.12,-3.73,;1.6,-4.13,;2.44,-2.84,;3.98,-2.84,;4.75,-1.51,;4.75,-4.17,;6.29,-4.17,;7.06,-5.51,;8.6,-5.51,;9.37,-4.17,;8.6,-2.84,;7.06,-2.84,;9.37,-1.51,;8.6,-.17,;10.91,-1.51,;11.68,-2.84,;13.22,-2.84,;14.56,-3.61,;14.56,-2.07,;11.68,-.17,;12.45,1.16,;1.45,-1.42,;1.45,.12,;.12,.89,;.12,2.43,;.12,-2.19,;-6.55,3.2,;-6.55,4.74,;-7.89,2.43,;-9.22,3.2,;-10.55,2.43,;-11.89,3.2,;-11.89,4.74,;-10.55,5.51,;-9.22,4.74,;-13.22,2.43,;-14.56,3.2,;-13.22,.89,;-14.56,1.66,)|
COc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C(=O)C(=C\C(C)(C)C)\C#N)c([nH]c1=O)c23 |(-12.66,5.01,;-11.32,4.24,;-11.32,2.7,;-12.66,1.93,;-12.66,.39,;-11.32,-.39,;-9.99,.39,;-9.99,1.93,;-8.66,2.7,;-7.32,1.93,;-7.32,.39,;-5.99,-.39,;-4.66,.39,;-4.66,1.93,;-3.32,2.7,;-5.99,2.7,;-3.32,-.39,;-3.32,-1.93,;-4.66,-2.7,;-4.66,-4.24,;-3.32,-5.01,;-1.99,-4.24,;-.5,-4.63,;.34,-3.34,;1.88,-3.34,;2.65,-4.68,;2.65,-2.01,;4.19,-2.01,;4.96,-3.34,;6.5,-3.34,;7.27,-2.01,;6.5,-.67,;4.96,-.67,;7.27,.66,;6.5,1.99,;8.81,.66,;9.58,-.67,;11.12,-.67,;11.89,-2.01,;11.89,.66,;12.66,-.67,;9.58,1.99,;10.35,3.33,;-.65,-1.93,;-.65,-.39,;-1.99,.39,;-1.99,1.93,;-1.99,-2.7,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C(=O)C(=C\C(C)(C)C)\C#N)c([nH]c1=O)c23 |(-3.32,4.35,;-4.66,3.58,;-5.99,4.35,;-7.32,3.58,;-8.66,4.35,;-9.99,3.58,;-11.32,4.35,;-12.66,3.58,;-12.66,2.04,;-11.32,1.27,;-9.99,2.04,;-7.32,2.04,;-5.99,1.27,;-4.66,2.04,;-3.32,1.27,;-3.32,-.27,;-4.66,-1.04,;-4.66,-2.58,;-3.32,-3.35,;-1.99,-2.58,;-.5,-2.98,;.34,-1.69,;1.88,-1.69,;2.65,-.35,;2.65,-3.02,;4.19,-3.02,;4.96,-4.35,;6.5,-4.35,;7.27,-3.02,;6.5,-1.68,;4.96,-1.68,;7.27,-.35,;6.5,.98,;8.81,-.35,;9.58,-1.68,;11.12,-1.68,;11.89,-3.02,;11.89,-.35,;12.66,-1.68,;9.58,.98,;10.35,2.32,;-.65,-.27,;-.65,1.27,;-1.99,2.04,;-1.99,3.58,;-1.99,-1.04,)|
CN1CCCC(C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(9.96,-.35,;9.19,-1.68,;9.96,-3.02,;9.19,-4.35,;7.65,-4.35,;6.88,-3.02,;7.65,-1.68,;5.34,-3.02,;4.57,-1.69,;5.34,-.35,;3.03,-1.69,;2.19,-2.98,;.71,-2.58,;-.63,-3.35,;-1.96,-2.58,;-1.96,-1.04,;-.63,-.27,;-.63,1.27,;-1.96,2.04,;-3.29,1.27,;-4.63,2.04,;-4.63,3.58,;-5.96,4.35,;-7.29,3.58,;-8.63,4.35,;-9.96,3.58,;-9.96,2.04,;-8.63,1.27,;-7.29,2.04,;-3.29,4.35,;-1.96,3.58,;-.63,4.35,;.71,2.04,;.71,3.58,;2.04,1.27,;2.04,-.27,;.71,-1.04,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-3.22,3.53,;-4.55,2.76,;-5.89,3.53,;-7.22,2.76,;-8.55,3.53,;-9.89,2.76,;-11.22,3.53,;-12.56,2.76,;-12.56,1.22,;-11.22,.45,;-9.89,1.22,;-7.22,1.22,;-5.89,.45,;-4.55,1.22,;-3.22,.45,;-3.22,-1.09,;-4.55,-1.86,;-4.55,-3.4,;-3.22,-4.17,;-1.89,-3.4,;-.4,-3.79,;.44,-2.5,;1.98,-2.5,;2.75,-3.84,;2.75,-1.17,;4.29,-1.17,;5.06,-2.5,;6.6,-2.5,;7.37,-1.17,;6.6,.16,;5.06,.16,;7.37,1.5,;6.6,2.83,;8.91,1.5,;9.68,.16,;11.22,.16,;12.56,-.61,;12.56,.93,;9.68,2.83,;10.45,4.17,;-.55,-1.09,;-.55,.45,;-1.89,1.22,;-1.89,2.76,;-1.89,-1.86,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\CN4CCCCC4)c([nH]c1=O)c23 |r,wU:25.26,(-4.09,4.04,;-5.42,3.27,;-6.76,4.04,;-8.09,3.27,;-9.43,4.04,;-10.76,3.27,;-12.09,4.04,;-13.43,3.27,;-13.43,1.73,;-12.09,.96,;-10.76,1.73,;-8.09,1.73,;-6.76,.96,;-5.42,1.73,;-4.09,.96,;-4.09,-.58,;-5.42,-1.35,;-5.42,-2.89,;-4.09,-3.66,;-2.76,-2.89,;-1.27,-3.29,;-.43,-2,;1.11,-2,;1.88,-.67,;1.88,-3.33,;3.42,-3.33,;4.19,-4.67,;5.73,-4.67,;6.5,-3.33,;5.73,-2,;4.19,-2,;6.5,-.67,;5.73,.67,;8.04,-.67,;8.81,.67,;10.35,.67,;11.12,2,;12.66,2,;13.43,3.33,;12.66,4.67,;11.12,4.67,;10.35,3.33,;-1.42,-.58,;-1.42,.96,;-2.76,1.73,;-2.76,3.27,;-2.76,-1.35,)|
Cc1c(Oc2ccccc2)cccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:25.26,(-5.66,-1.09,;-5.66,.45,;-6.99,1.22,;-8.32,.45,;-9.81,.85,;-10.21,2.34,;-11.7,2.74,;-12.79,1.65,;-12.39,.16,;-10.9,-.24,;-6.99,2.76,;-5.66,3.53,;-4.32,2.76,;-4.32,1.22,;-2.99,.45,;-2.99,-1.09,;-4.32,-1.86,;-4.32,-3.4,;-2.99,-4.17,;-1.65,-3.4,;-.17,-3.79,;.67,-2.5,;2.21,-2.5,;2.98,-3.84,;2.98,-1.17,;4.52,-1.17,;5.29,-2.5,;6.83,-2.5,;7.6,-1.17,;6.83,.16,;5.29,.16,;7.6,1.5,;6.83,2.83,;9.14,1.5,;9.91,.16,;11.45,.16,;12.79,-.61,;12.79,.93,;9.91,2.83,;10.68,4.17,;-.32,-1.09,;-.32,.45,;-1.65,1.22,;-1.65,2.76,;-1.65,-1.86,)|
Fc1cc(ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wD:18.18,(-1.89,2.69,;-3.22,1.92,;-4.55,2.69,;-5.89,1.92,;-5.89,.38,;-4.55,-.39,;-3.22,.38,;-1.89,-.39,;-1.89,-1.93,;-3.22,-2.7,;-3.22,-4.24,;-1.89,-5.01,;-.55,-4.24,;.94,-4.63,;1.77,-3.34,;3.31,-3.34,;4.08,-4.68,;4.08,-2.01,;5.62,-2.01,;6.39,-3.34,;7.93,-3.34,;8.7,-2.01,;7.93,-.67,;6.39,-.67,;8.7,.66,;7.93,1.99,;10.24,.66,;11.01,-.67,;12.55,-.67,;13.89,-1.44,;13.89,.1,;11.01,1.99,;11.78,3.33,;.78,-1.93,;.78,-.39,;-.55,.38,;-.55,1.92,;-.55,-2.7,;-7.22,2.69,;-7.22,4.23,;-8.55,1.92,;-9.89,2.7,;-11.22,1.92,;-12.55,2.7,;-12.55,4.24,;-11.22,5.01,;-9.89,4.24,;-13.89,1.93,;-15.22,2.7,;-13.89,.39,;-15.22,1.16,)|
CCC(=O)N1CCCC(C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(11.12,-1.68,;10.35,-.35,;8.81,-.35,;8.04,.98,;8.04,-1.68,;8.81,-3.02,;8.04,-4.35,;6.5,-4.35,;5.73,-3.02,;6.5,-1.68,;4.19,-3.02,;3.42,-1.68,;4.19,-.35,;1.88,-1.68,;1.04,-2.98,;-.45,-2.58,;-1.78,-3.35,;-3.12,-2.58,;-3.12,-1.04,;-1.78,-.27,;-1.78,1.27,;-3.12,2.04,;-4.45,1.27,;-5.78,2.04,;-5.78,3.58,;-7.12,4.35,;-8.45,3.58,;-9.78,4.35,;-11.12,3.58,;-11.12,2.04,;-9.78,1.27,;-8.45,2.04,;-4.45,4.35,;-3.12,3.58,;-1.78,4.35,;-.45,2.04,;-.45,3.58,;.89,1.27,;.89,-.27,;-.45,-1.04,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)C(=C\C(C)(C)C)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-3.32,3.53,;-4.66,2.76,;-5.99,3.53,;-7.32,2.76,;-8.66,3.53,;-9.99,2.76,;-11.32,3.53,;-12.66,2.76,;-12.66,1.22,;-11.32,.45,;-9.99,1.22,;-7.32,1.22,;-5.99,.45,;-4.66,1.22,;-3.32,.45,;-3.32,-1.09,;-4.66,-1.86,;-4.66,-3.4,;-3.32,-4.17,;-1.99,-3.4,;-.5,-3.79,;.34,-2.5,;1.88,-2.5,;2.65,-3.84,;2.65,-1.17,;4.19,-1.17,;4.96,-2.5,;6.5,-2.5,;7.27,-1.17,;6.5,.16,;4.96,.16,;7.27,1.5,;6.5,2.83,;8.81,1.5,;9.58,.16,;11.12,.16,;11.89,-1.17,;11.89,1.5,;12.66,.16,;9.58,2.83,;10.35,4.17,;-.65,-1.09,;-.65,.45,;-1.99,1.22,;-1.99,2.76,;-1.99,-1.86,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-3.69,3.85,;-5.02,3.08,;-6.36,3.85,;-7.69,3.08,;-9.03,3.85,;-10.36,3.08,;-11.69,3.85,;-13.03,3.08,;-13.03,1.54,;-11.69,.77,;-10.36,1.54,;-7.69,1.54,;-6.36,.77,;-5.02,1.54,;-3.69,.77,;-3.69,-.77,;-5.02,-1.54,;-5.02,-3.08,;-3.69,-3.85,;-2.36,-3.08,;-.87,-3.48,;-.03,-2.19,;1.51,-2.19,;2.28,-3.52,;2.28,-.85,;3.82,-.85,;4.72,-2.1,;6.19,-1.62,;6.19,-.08,;4.72,.39,;7.44,.82,;7.27,2.35,;8.84,.2,;10.09,1.1,;11.49,.47,;12.4,-.77,;13.03,.64,;9,-1.34,;9.4,-2.82,;-1.02,-.77,;-1.02,.77,;-2.36,1.54,;-2.36,3.08,;-2.36,-1.54,)|
ClCCC(=O)N1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
COc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)NC4CCCN(C)C4)c([nH]c1=O)c23 |(-9.96,5,;-8.63,4.23,;-8.63,2.69,;-9.96,1.92,;-9.96,.38,;-8.63,-.39,;-7.3,.38,;-7.3,1.92,;-5.96,2.69,;-4.63,1.92,;-4.63,.38,;-3.29,-.39,;-1.96,.38,;-1.96,1.92,;-.63,2.69,;-3.29,2.69,;-.63,-.39,;-.63,-1.93,;-1.96,-2.7,;-1.96,-4.24,;-.63,-5,;.71,-4.24,;2.19,-4.63,;3.03,-3.34,;4.57,-3.34,;5.34,-4.68,;5.34,-2.01,;6.88,-2.01,;7.65,-3.34,;9.19,-3.34,;9.96,-2.01,;9.19,-.67,;9.96,.66,;7.65,-.67,;2.04,-1.93,;2.04,-.39,;.71,.38,;.71,1.92,;.71,-2.7,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CN4CCC4)c([nH]c1=O)c23 |r,wU:25.26,(-2.53,3.26,;-3.86,2.49,;-5.19,3.26,;-6.53,2.49,;-7.86,3.26,;-9.19,2.49,;-10.53,3.26,;-11.86,2.49,;-11.86,.95,;-10.53,.18,;-9.19,.95,;-6.53,.95,;-5.19,.18,;-3.86,.95,;-2.53,.18,;-2.53,-1.36,;-3.86,-2.13,;-3.86,-3.67,;-2.53,-4.44,;-1.19,-3.67,;.3,-4.07,;1.13,-2.78,;2.67,-2.78,;3.44,-4.11,;3.44,-1.45,;4.98,-1.45,;5.75,-2.78,;7.29,-2.78,;8.06,-1.45,;7.29,-.11,;5.75,-.11,;8.06,1.22,;7.29,2.56,;9.6,1.22,;10.37,2.56,;11.86,2.95,;11.46,4.44,;9.98,4.04,;.14,-1.36,;.14,.18,;-1.19,.95,;-1.19,2.49,;-1.19,-2.13,)|
O=C(NC1CCOCC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
CN1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCNC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:25.26,(-.63,4.35,;-1.96,3.58,;-3.29,4.35,;-4.63,3.58,;-5.96,4.35,;-7.3,3.58,;-8.63,4.35,;-9.96,3.58,;-9.96,2.04,;-8.63,1.27,;-7.3,2.04,;-4.63,2.04,;-3.29,1.27,;-1.96,2.04,;-.63,1.27,;-.63,-.27,;-1.96,-1.04,;-1.96,-2.58,;-.63,-3.35,;.71,-2.58,;2.19,-2.98,;3.03,-1.68,;4.57,-1.68,;5.34,-.35,;5.34,-3.02,;6.88,-3.02,;7.65,-4.35,;9.19,-4.35,;9.96,-3.02,;9.19,-1.68,;7.65,-1.68,;2.04,-.27,;2.04,1.27,;.71,2.04,;.71,3.58,;.71,-1.04,)|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\CN(C)C)c([nH]c1=O)c23 |r,wU:22.22,(-11.04,2.04,;-11.04,3.58,;-12.38,4.35,;-9.71,4.35,;-8.38,3.58,;-8.38,2.04,;-7.04,1.27,;-5.71,2.04,;-5.71,3.58,;-4.37,4.35,;-7.04,4.35,;-4.37,1.27,;-4.37,-.27,;-5.71,-1.04,;-5.71,-2.58,;-4.37,-3.35,;-3.04,-2.58,;-1.55,-2.98,;-.71,-1.69,;.83,-1.69,;1.6,-.35,;1.6,-3.02,;3.14,-3.02,;3.91,-4.35,;5.45,-4.35,;6.22,-3.02,;5.45,-1.69,;3.91,-1.69,;6.22,-.35,;5.45,.98,;7.76,-.35,;8.53,.98,;10.07,.98,;10.84,2.32,;12.38,2.32,;10.07,3.65,;-1.71,-.27,;-1.71,1.27,;-3.04,2.04,;-3.04,3.58,;-3.04,-1.04,)|
O=C(N[C@@H]1CCN(C1)C(=O)c1ccccc1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCN(CC4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |(-3.32,4.35,;-4.66,3.58,;-5.99,4.35,;-7.32,3.58,;-8.66,4.35,;-9.99,3.58,;-11.32,4.35,;-12.66,3.58,;-12.66,2.04,;-11.32,1.27,;-9.99,2.04,;-7.32,2.04,;-5.99,1.27,;-4.66,2.04,;-3.32,1.27,;-3.32,-.27,;-4.66,-1.04,;-4.66,-2.58,;-3.32,-3.35,;-1.99,-2.58,;-.5,-2.98,;.34,-1.68,;1.88,-1.68,;2.65,-.35,;2.65,-3.02,;4.19,-3.02,;4.96,-4.35,;6.5,-4.35,;7.27,-3.02,;6.5,-1.68,;4.96,-1.68,;8.81,-3.02,;9.58,-4.35,;9.58,-1.68,;8.81,-.35,;9.58,.98,;10.91,1.75,;9.58,2.52,;11.12,-1.68,;12.66,-1.68,;-.65,-.27,;-.65,1.27,;-1.99,2.04,;-1.99,3.58,;-1.99,-1.04,)|
COc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)NC4CCNCC4)c([nH]c1=O)c23 |(-9.96,5.51,;-8.63,4.74,;-8.63,3.2,;-9.96,2.43,;-9.96,.89,;-8.63,.12,;-7.3,.89,;-7.3,2.43,;-5.96,3.2,;-4.63,2.43,;-4.63,.89,;-3.29,.12,;-1.96,.89,;-1.96,2.43,;-.63,3.2,;-3.29,3.2,;-.63,.12,;-.63,-1.42,;-1.96,-2.19,;-1.96,-3.73,;-.63,-4.5,;.71,-3.73,;2.19,-4.13,;3.03,-2.84,;4.57,-2.84,;5.34,-1.51,;5.34,-4.17,;6.88,-4.17,;7.65,-5.51,;9.19,-5.51,;9.96,-4.17,;9.19,-2.84,;7.65,-2.84,;2.04,-1.42,;2.04,.12,;.71,.89,;.71,2.43,;.71,-2.19,)|
COc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)NC4CCN(C)CC4)c([nH]c1=O)c23 |(-8.07,5.01,;-9.4,4.24,;-9.4,2.7,;-10.73,1.93,;-10.73,.39,;-9.4,-.39,;-8.07,.39,;-8.07,1.93,;-6.73,2.7,;-5.4,1.93,;-5.4,.39,;-4.06,-.39,;-2.73,.39,;-2.73,1.93,;-1.4,2.7,;-4.06,2.7,;-1.4,-.39,;-1.4,-1.93,;-2.73,-2.7,;-2.73,-4.24,;-1.4,-5.01,;-.06,-4.24,;1.42,-4.63,;2.26,-3.34,;3.8,-3.34,;4.57,-4.68,;4.57,-2.01,;6.11,-2.01,;6.88,-3.34,;8.42,-3.34,;9.19,-2.01,;10.73,-2.01,;8.42,-.67,;6.88,-.67,;1.27,-1.93,;1.27,-.39,;-.06,.39,;-.06,1.93,;-.06,-2.7,)|
Cc1cc(OC2CCCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wU:24.25,(-.74,4.35,;-2.08,3.58,;-3.41,4.35,;-4.74,3.58,;-6.08,4.35,;-7.41,3.58,;-8.82,4.21,;-9.85,3.06,;-9.08,1.73,;-7.57,2.05,;-4.74,2.04,;-3.41,1.27,;-2.08,2.04,;-.74,1.27,;-.74,-.27,;-2.08,-1.04,;-2.08,-2.58,;-.74,-3.35,;.59,-2.58,;2.08,-2.98,;2.92,-1.68,;4.46,-1.68,;5.23,-.35,;5.23,-3.02,;6.77,-3.02,;7.54,-4.35,;9.08,-4.35,;9.85,-3.02,;9.08,-1.68,;7.54,-1.68,;1.93,-.27,;1.93,1.27,;.59,2.04,;.59,3.58,;.59,-1.04,)|
CN1CCC(CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCN(CC4)C(=O)C(=C\C(C)(C)C)\C#N)c([nH]c1=O)c23 |(-3.66,4.4,;-4.99,3.63,;-6.32,4.4,;-7.66,3.63,;-8.99,4.4,;-10.32,3.63,;-11.66,4.4,;-12.99,3.63,;-12.99,2.09,;-11.66,1.32,;-10.32,2.09,;-7.66,2.09,;-6.32,1.32,;-4.99,2.09,;-3.66,1.32,;-3.66,-.22,;-4.99,-.99,;-4.99,-2.53,;-3.66,-3.3,;-2.32,-2.53,;-.83,-2.93,;0,-1.64,;1.54,-1.64,;2.31,-.31,;2.31,-2.97,;3.96,-2.97,;4.78,-4.4,;6.42,-4.4,;7.24,-2.97,;6.42,-1.55,;4.78,-1.55,;8.88,-2.97,;9.71,-4.4,;9.71,-1.55,;8.88,-.13,;9.71,1.29,;8.88,2.72,;11.35,1.29,;10.53,2.72,;11.35,-1.55,;12.99,-1.55,;-.99,-.22,;-.99,1.32,;-2.32,2.09,;-2.32,3.63,;-2.32,-.99,)|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
CNCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC(C)C)cc4C)c(=O)[nH]c1c23 |r,wU:9.11,(11.22,.98,;9.68,.98,;8.91,-.35,;7.37,-.35,;6.6,.98,;6.6,-1.68,;7.37,-3.02,;6.6,-4.35,;5.06,-4.35,;4.29,-3.02,;5.06,-1.68,;2.75,-3.02,;1.98,-1.68,;2.75,-.35,;.44,-1.68,;-.4,-2.98,;-1.89,-2.58,;-3.22,-3.35,;-4.55,-2.58,;-4.55,-1.04,;-3.22,-.27,;-3.22,1.27,;-4.55,2.04,;-5.89,1.27,;-7.22,2.04,;-7.22,3.58,;-8.55,4.35,;-9.89,3.58,;-9.89,2.04,;-11.22,4.35,;-5.89,4.35,;-4.55,3.58,;-3.22,4.35,;-1.89,2.04,;-1.89,3.58,;-.55,1.27,;-.55,-.27,;-1.89,-1.04,)|
CC(=O)N1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(NC1CCNCC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
O=C(NCCN1CCCC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
O=C(NCCN1CCNCC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCN(CC4)C(=O)C=C)c([nH]c1=O)c23 |(-2.44,4.31,;-3.77,3.54,;-5.11,4.31,;-6.44,3.54,;-7.78,4.31,;-9.11,3.54,;-10.44,4.31,;-11.78,3.54,;-11.78,2,;-10.44,1.23,;-9.11,2,;-6.44,2,;-5.11,1.23,;-3.77,2,;-2.44,1.23,;-2.44,-.31,;-3.77,-1.08,;-3.77,-2.62,;-2.44,-3.39,;-1.11,-2.62,;.33,-2.88,;1,-1.64,;2.54,-1.64,;3.31,-.31,;3.31,-2.98,;4.85,-2.98,;5.62,-4.31,;7.16,-4.31,;7.93,-2.98,;7.16,-1.64,;5.62,-1.64,;9.47,-2.98,;10.24,-1.64,;10.24,-4.31,;11.78,-4.31,;.23,-.31,;.23,1.23,;-1.11,2,;-1.11,3.54,;-1.11,-1.08,)|
CN1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:5.7,(9.85,1.9,;9.08,.56,;9.85,-.77,;9.08,-2.1,;7.54,-2.1,;6.77,-.77,;7.54,.56,;5.23,-.77,;4.46,-2.1,;5.23,-3.44,;2.92,-2.1,;2.26,-3.34,;.82,-3.08,;-.52,-3.85,;-1.85,-3.08,;-1.85,-1.54,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.18,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-7.18,3.08,;-8.52,3.85,;-9.85,3.08,;-9.85,1.54,;-8.52,.77,;-7.18,1.54,;-3.18,3.85,;-1.85,3.08,;-.52,3.85,;.82,1.54,;.82,3.08,;2.15,.77,;2.15,-.77,;.82,-1.54,)|
CN1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(NCCN1CCCCC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
O=C(NCCN1CCOCC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
CN1CCN(CCNC(=O)c2sc3nccc4n(-c5ccc(Oc6ccccc6)cc5)c(=O)[nH]c2c34)CC1
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(C)=O)c([nH]c1=O)c23 |r,wU:22.22,(-8.62,2,;-8.62,3.54,;-9.95,4.31,;-7.29,4.31,;-5.95,3.54,;-5.95,2,;-4.62,1.23,;-3.29,2,;-3.29,3.54,;-1.95,4.31,;-4.62,4.31,;-1.95,1.23,;-1.95,-.31,;-3.29,-1.08,;-3.29,-2.62,;-1.95,-3.39,;-.62,-2.62,;.82,-2.88,;1.48,-1.64,;3.02,-1.64,;3.79,-.31,;3.79,-2.98,;5.33,-2.98,;6.1,-4.31,;7.64,-4.31,;8.41,-2.98,;7.64,-1.64,;6.1,-1.64,;8.41,-.31,;9.95,-.31,;7.64,1.02,;.71,-.31,;.71,1.23,;-.62,2,;-.62,3.54,;-.62,-1.08,)|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cccc(c4)-c4cccnc4)c(=O)[nH]c1c23 |r|
Cc1ccc(Oc2ccccc2)cc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-3.11,3.49,;-4.44,2.72,;-5.78,3.49,;-7.11,2.72,;-7.11,1.18,;-8.44,.41,;-9.78,1.18,;-9.78,2.72,;-11.11,3.49,;-12.44,2.72,;-12.44,1.18,;-11.11,.41,;-5.78,.41,;-4.44,1.18,;-3.11,.41,;-3.11,-1.13,;-4.44,-1.9,;-4.44,-3.44,;-3.11,-4.21,;-1.77,-3.44,;-.33,-3.7,;.33,-2.46,;1.87,-2.46,;2.64,-3.79,;2.64,-1.13,;4.18,-1.13,;4.95,-2.46,;6.49,-2.46,;7.26,-1.13,;6.49,.21,;4.95,.21,;7.26,1.54,;6.49,2.87,;8.8,1.54,;9.57,.21,;11.11,.21,;12.44,-.56,;12.44,.98,;9.57,2.87,;10.34,4.21,;-.44,-1.13,;-.44,.41,;-1.77,1.18,;-1.77,2.72,;-1.77,-1.9,)|
O=C(N[C@H]1CCCN(C1)C(=O)C(=C\C1CC1)\C#N)c1sc2nccc3n(-c4cccc(Oc5ccccc5)c4)c(=O)[nH]c1c23 |r|
O=C(N[C@H]1CCN(C1)C(=O)c1ccccc1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Clc1cc(Cl)cc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1ccccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:18.18,(-9.05,.63,;-8.65,2.12,;-9.74,3.21,;-9.34,4.69,;-7.86,5.09,;-6.77,4,;-7.16,2.51,;-6.08,1.43,;-6.08,-.11,;-7.41,-.88,;-7.41,-2.42,;-6.08,-3.19,;-4.74,-2.42,;-3.28,-2.9,;-2.37,-1.65,;-.83,-1.65,;-.06,-2.99,;-.06,-.32,;1.48,-.32,;2.25,1.01,;3.79,1.01,;4.56,-.32,;3.79,-1.65,;2.25,-1.65,;4.56,-2.99,;3.79,-4.32,;6.1,-2.99,;6.87,-4.32,;8.41,-4.32,;9.74,-5.09,;9.74,-3.55,;6.87,-1.65,;7.64,-.32,;-3.41,-.11,;-3.41,1.43,;-4.74,2.2,;-4.74,3.74,;-4.74,-.88,)|
CN(C)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCN(CC4)C(=O)CC#N)c([nH]c1=O)c23 |(-3.34,4.41,;-4.68,3.64,;-6.01,4.41,;-7.34,3.64,;-8.68,4.41,;-10.01,3.64,;-11.35,4.41,;-12.68,3.64,;-12.68,2.1,;-11.35,1.33,;-10.01,2.1,;-7.34,2.1,;-6.01,1.33,;-4.68,2.1,;-3.34,1.33,;-3.34,-.21,;-4.68,-.98,;-4.68,-2.52,;-3.34,-3.29,;-2.01,-2.52,;-.55,-2.99,;.36,-1.75,;1.9,-1.75,;2.67,-.41,;2.67,-3.08,;4.21,-3.08,;4.98,-4.41,;6.52,-4.41,;7.29,-3.08,;6.52,-1.75,;4.98,-1.75,;8.83,-3.08,;9.6,-1.75,;9.6,-4.41,;11.14,-4.41,;12.68,-4.41,;-.68,-.21,;-.68,1.33,;-2.01,2.1,;-2.01,3.64,;-2.01,-.98,)|
O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
COc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wD:20.20,(-11.24,3.64,;-9.91,4.41,;-8.58,3.64,;-8.58,2.1,;-7.24,1.33,;-5.91,2.1,;-5.91,3.64,;-4.57,4.41,;-7.24,4.41,;-4.57,1.33,;-4.57,-.21,;-5.91,-.98,;-5.91,-2.52,;-4.57,-3.29,;-3.24,-2.52,;-1.78,-2.99,;-.87,-1.75,;.67,-1.75,;1.44,-.41,;1.44,-3.08,;2.98,-3.08,;3.75,-4.41,;5.29,-4.41,;6.06,-3.08,;5.29,-1.75,;3.75,-1.75,;6.06,-.41,;5.29,.92,;7.6,-.41,;8.37,-1.75,;9.91,-1.75,;11.24,-2.52,;11.24,-.98,;8.37,.92,;9.14,2.25,;-1.91,-.21,;-1.91,1.33,;-3.24,2.1,;-3.24,3.64,;-3.24,-.98,)|
CCC(=O)N1CCC(CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(11.91,-4.41,;10.37,-4.41,;9.6,-3.08,;10.37,-1.75,;8.06,-3.08,;7.29,-4.41,;5.75,-4.41,;4.98,-3.08,;5.75,-1.75,;7.29,-1.75,;3.44,-3.08,;2.67,-1.75,;3.44,-.41,;1.13,-1.75,;.22,-2.99,;-1.24,-2.52,;-2.57,-3.29,;-3.91,-2.52,;-3.91,-.98,;-2.57,-.21,;-2.57,1.33,;-3.91,2.1,;-5.24,1.33,;-6.57,2.1,;-6.57,3.64,;-7.91,4.41,;-9.24,3.64,;-10.58,4.41,;-11.91,3.64,;-11.91,2.1,;-10.58,1.33,;-9.24,2.1,;-5.24,4.41,;-3.91,3.64,;-2.57,4.41,;-1.24,2.1,;-1.24,3.64,;.09,1.33,;.09,-.21,;-1.24,-.98,)|
Nc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
CN(C)c1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Cc1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Clc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Cc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Fc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CC(C)(C)c1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CC(C)Oc1ccc(cc1C)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Nc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Cc1c(Oc2ccccc2)cccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-5.91,-1.02,;-5.91,.52,;-7.24,1.29,;-8.58,.52,;-9.91,1.29,;-11.24,.52,;-12.58,1.29,;-12.58,2.83,;-11.24,3.6,;-9.91,2.83,;-7.24,2.83,;-5.91,3.6,;-4.57,2.83,;-4.57,1.29,;-3.24,.52,;-3.24,-1.02,;-4.57,-1.79,;-4.57,-3.33,;-3.24,-4.1,;-1.91,-3.33,;-.44,-3.81,;.46,-2.56,;2,-2.56,;2.77,-3.9,;2.77,-1.23,;4.31,-1.23,;5.08,-2.56,;6.62,-2.56,;7.39,-1.23,;6.62,.1,;5.08,.1,;7.39,1.44,;6.62,2.77,;8.93,1.44,;9.7,.1,;11.24,.1,;12.58,-.67,;12.58,.87,;9.7,2.77,;10.47,4.1,;-.57,-1.02,;-.57,.52,;-1.91,1.29,;-1.91,2.83,;-1.91,-1.79,)|
CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCNC4)c([nH]c1=O)c23 |r,wD:22.22,(-7.63,2.06,;-7.63,3.6,;-8.96,4.37,;-6.3,4.37,;-4.96,3.6,;-3.63,4.37,;-2.29,3.6,;-.96,4.37,;-2.29,2.06,;-3.63,1.29,;-4.96,2.06,;-.96,1.29,;-.96,-.25,;-2.29,-1.02,;-2.29,-2.56,;-.96,-3.33,;.37,-2.56,;1.84,-3.04,;2.74,-1.79,;4.28,-1.79,;5.05,-.46,;5.05,-3.12,;6.59,-3.12,;7.5,-1.88,;8.96,-2.35,;8.96,-3.89,;7.5,-4.37,;1.71,-.25,;1.71,1.29,;.37,2.06,;.37,3.6,;.37,-1.02,)|
CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-9.46,3.11,;-9.46,4.65,;-10.8,5.42,;-8.13,5.42,;-6.79,4.65,;-5.46,5.42,;-4.13,4.65,;-2.79,5.42,;-4.13,3.11,;-5.46,2.34,;-6.79,3.11,;-2.79,2.34,;-2.79,.8,;-4.13,.03,;-4.13,-1.51,;-2.79,-2.28,;-1.46,-1.51,;.01,-1.99,;.91,-.74,;2.45,-.74,;3.22,.59,;3.22,-2.07,;4.76,-2.07,;5.67,-.83,;7.13,-1.3,;7.13,-2.84,;5.67,-3.32,;8.22,-3.93,;7.82,-5.42,;9.71,-3.53,;10.8,-4.62,;-.13,.8,;-.13,2.34,;-1.46,3.11,;-1.46,4.65,;-1.46,.03,)|
Cc1nc(Oc2cccnn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-2.41,5.1,;-3.6,4.35,;-4.94,5.12,;-6.27,4.35,;-7.6,5.12,;-8.94,4.35,;-8.94,2.81,;-10.27,2.04,;-11.61,2.81,;-11.61,4.35,;-10.27,5.12,;-6.27,2.81,;-4.94,2.04,;-3.6,2.81,;-2.27,2.04,;-2.27,.5,;-3.6,-.27,;-3.6,-1.81,;-2.27,-2.58,;-.94,-1.81,;.55,-2.2,;1.49,-.58,;3.03,-.58,;3.8,.75,;3.8,-1.92,;5.34,-1.92,;6.24,-.67,;7.71,-1.15,;7.71,-2.69,;6.24,-3.16,;8.95,-3.59,;8.79,-5.12,;10.36,-2.97,;11.61,-3.87,;.4,.5,;.4,2.04,;-.94,2.81,;-.94,4.35,;-.94,-.27,)|
Cc1nc(Oc2cccnn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.97,4.17,;-3.16,3.42,;-4.5,4.19,;-5.83,3.42,;-7.17,4.19,;-8.5,3.42,;-8.5,1.88,;-9.83,1.11,;-11.17,1.88,;-11.17,3.42,;-9.83,4.19,;-5.83,1.88,;-4.5,1.11,;-3.16,1.88,;-1.83,1.11,;-1.83,-.43,;-3.16,-1.2,;-3.16,-2.74,;-1.83,-3.51,;-.5,-2.74,;.99,-3.14,;1.93,-1.52,;3.47,-1.52,;4.24,-.19,;4.24,-2.85,;5.78,-2.85,;6.55,-4.19,;8.09,-4.19,;8.86,-2.85,;8.09,-1.52,;6.55,-1.52,;8.86,-.19,;8.09,1.15,;10.4,-.19,;11.17,-1.52,;.84,-.43,;.84,1.11,;-.5,1.88,;-.5,3.42,;-.5,-1.2,)|
CNc1cc(ccn1)-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
CN(C)Cc1ccc(cc1)-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
CCN(CC)Cc1ccc(cc1)-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(CN2CCCC2)cc1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(CN2CCCCC2)cc1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(CN2CCN(CCO)CC2)cc1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(CN2CCNC(=O)C2)cc1
CN1CCN(CC1)C(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:13|
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCS(=O)(=O)CC1 |t:39|
CCC(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:7|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8|
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCN(CC1)C(=O)N1CCCC1 |t:39|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:7|
CCN1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:5|
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCNCC1 |t:39|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1CCCN(C1)C#N |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1CCCN(C1)C#N |r|
Cc1ccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C#N)c(N)c2C(N)=O)cc1C |r|
Cc1ccc(Oc2ccc(cc2)-c2nn([C@H]3CCCN(C3)C#N)c(N)c2C(N)=O)cc1C |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2Cl)cc1)[C@H]1CCCN(C1)C#N |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2Cl)cc1)[C@@H]1CCCN(C1)C#N |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cn2)cc1)[C@H]1CCCN(C1)C#N |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2cccc(n2)C(F)(F)F)cc1)[C@@H]1CCCN(C1)C#N |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2cccc(n2)C(F)(F)F)cc1)[C@H]1CCCN(C1)C#N |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCCN(C1)C(=O)C=C
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCCN(C1)C(=O)\C=C\CO
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCCN(C1)C(=O)\C=C\CF
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)[C@@H]1CCCN(C1)C(=O)\C=C\CF |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)[C@@H]1CCCN(C1)C(=O)C(\F)=C\CO |r|
CC(C)(O)\C=C\C(=O)N1CCC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccc(F)cc2F)cc1 |r|
C[C@H](O)\C=C\C(=O)N1CCC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccc(F)cc2F)cc1 |r|
C[C@@H](O)\C=C\C(=O)N1CCC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccc(F)cc2F)cc1 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)[C@@H]1CCCN(C1)C(=O)C(F)=C |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)[C@@H]1CCCN(C1)C(=O)\C=C\CO |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)[C@@H]1CCCN(C1)C(=O)\C=C\C#N |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ncc(Cl)cc2F)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ncc(Cl)cc2F)cc1)[C@@H]1CCCN(C1)C(=O)\C=C\CO |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ncc(Cl)cc2F)cc1)[C@@H]1CCCN(C1)C(=O)\C=C\C(F)F |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ncc(Cl)cc2F)cc1)[C@@H]1CCCN(C1)C(=O)\C=C\CF |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cn2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cn2)cc1)[C@@H]1CCCN(C1)C(=O)\C=C\CO |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cn2)cc1)[C@@H]1CCCN(C1)C(=O)\C=C\C(F)F |r|
Cc1cccc(Nc2nc(Nc3cc(NC(=O)C=C)ccc3C)ncc2C)c1
CS(=O)(=O)CCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
CN(Cc1ccc(Oc2nc(Nc3cccc(OCCN4CCCC4=O)c3)ncc2F)cc1)C(=O)C=C
COc1cc(Nc2ncc(F)c(Oc3cccc(NC(=O)C=C)c3)n2)cc(OC)c1OC
COc1ccc(Nc2ncc(C(=O)NC3CC3)c(Oc3cccc(NC(=O)C=C)c3)n2)cn1
COc1cccc(Nc2ncc(C(=O)Nc3ccccc3)c(Oc3cccc(NC(=O)C=C)c3)n2)c1
Nc1ncnc2n3C[C@@H](CCc3c(-c3ccc(Oc4ccccc4)cc3)c12)NC(=O)C=C |r|
Nc1ncnc2n3C[C@H](CCc3c(-c3ccc(Oc4ccccc4)cc3)c12)NC(=O)C=C |r|
Nc1ncnc2n3CC(CCc3c(-c3ccc(Oc4ccccc4)cc3)c12)NC(=O)C=C
CC(C)(C)C=C(C#N)C(=O)N[C@@H]1CCc2c(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc3n2C1 |r,w:4.3|
CN(C)C\C=C\C(=O)N[C@@H]1CCc2c(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc3n2C1 |r|
Nc1ncnc2n3C[C@@H](CCc3c(-c3ccc(Oc4ccccc4)cc3)c12)NC(=O)CNC(=O)C=C |r|
CC(NC(=O)C=C)C(=O)N[C@@H]1CCc2c(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc3n2C1 |r|
Nc1ncnc2n3C[C@@H](CCc3c(-c3ccc(Oc4ccccc4)cc3)c12)NC(=O)C1(CC1)NC(=O)C=C |r|
Nc1ncnc2n3C[C@@H](CCc3c(-c3ccc(Oc4ccccc4)cc3)c12)NS(=O)(=O)C=C |r|
CC#CC(=O)N[C@@H]1CCc2c(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc3n2C1 |r|
Nc1ncnc2n3C[C@@H](CCc3c(-c3ccc(Oc4ccc(F)cc4)cc3)c12)NC(=O)C=C |r|
Nc1ncnc2n3C[C@@H](CCc3c(-c3ccc(Oc4ccc(cc4)C(F)(F)F)cc3)c12)NC(=O)C=C |r|
Nc1ncnc2n3C[C@@H](CCc3c(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)NC(=O)C=C |r|
CC#CC(=O)N[C@@H]1CCc2c(-c3ccc(cc3)C(=O)Nc3ccccn3)c3c(N)ncnc3n2C1 |r|
Nc1ncnc2n3C[C@@H](CCc3c(-c3ccc(cc3)C(=O)Nc3ccc(F)cn3)c12)NC(=O)C=C |r|
Nc1ncnc2n3C[C@@H](CCc3c(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)NC(=O)C=C |r|
COC[C@H](NC(=O)c1ccc(cc1)-c1c2CC[C@H](Cn2c2ncnc(N)c12)NC(=O)C=C)c1ccccc1 |r|
Nc1ncnc2n3C[C@H](NC(=O)C=C)C(=C)c3c(-c3ccc(Oc4ccccc4)cc3)c12 |r|
CC#CC(=O)N[C@H]1Cn2c(C1=C)c(-c1ccc(Oc3ccccc3)cc1)c1c(N)ncnc21 |r|
Nc1ncnc2n3C[C@H](NC(=O)C=C)C(=C)c3c(-c3ccc(cc3)C(=O)Nc3ccccn3)c12 |r|
CC1[C@H](Cn2c1c(-c1ccc(Oc3ccccc3)cc1)c1c(N)ncnc21)NC(=O)C=C |r|
CC1[C@H](Cn2c1c(-c1ccc(cc1)C(=O)Nc1ccccn1)c1c(N)ncnc21)NC(=O)C=C |r|
Nc1ncnc2n(CC3SSCC3O)nc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncnc2n(C[C@@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Nc1ncnc2n(C[C@H]3SSC[C@@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Nc1ncnc2n(C[C@@H]3SSC[C@@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
COC1CSSC1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Nc1ncnc2n(CC3SSCC3OCc3ccccc3)nc(-c3ccc(Oc4ccccc4)cc3)c12
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(CN3CCOCC3)nc(N[C@H]3CCN(C3)C(=O)C=C)n2)s1 |r|
Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccnc(N[C@H]3CCN(C3)C(=O)C=C)n2)s1 |r|
Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccnc(N[C@@H]3CCCN(C3)C(=O)C=C)n2)s1 |r|
Cc1cccc(C)c1NC(=O)c1cnc(Nc2cc(CN3CCOCC3)nc(N[C@H]3CCN(C3)C(=O)C=C)n2)s1 |r|
Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccnc(N[C@@H]3CCN(C3)C(=O)C=C)n2)s1 |r|
Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccnc(NC3CCCCN(C3)C(=O)C=C)n2)s1
Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccnc(NCC3CCN(C3)C(=O)C=C)n2)s1
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccnc(N[C@H]3CCN(C3)C(=O)C=C)n2)s1 |r|
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccnc(NC3CCCCN(C3)C(=O)C=C)n2)s1
C=CC(=O)N1CC[C@@H](C1)Nc1nccc(Nc2nc3ccc(Oc4ccccc4)nc3s2)n1 |r|
C=CC(=O)N1CC[C@H](C1)Nc1nccc(Nc2nc3ccc(Oc4ccccc4)nc3s2)n1 |r|
C=CC(=O)N1CCC[C@@H](C1)Nc1nccc(Nc2nc3ccc(Oc4ccccc4)nc3s2)n1 |r|
C=CC(=O)N1CCC[C@H](C1)Nc1nccc(Nc2nc3ccc(Oc4ccccc4)nc3s2)n1 |r|
C=CC(=O)N1CCCCC(C1)Nc1nccc(Nc2nc3ccc(Oc4ccccc4)nc3s2)n1
Cn1ccc(Nc2nc3ccc(Oc4ccccc4)nc3s2)n1
Cn1cc(Nc2nc3ccc(Oc4ccccc4)nc3s2)cn1
C1CC(CCO1)n1cc(Nc2nc3ccc(Oc4ccccc4)nc3s2)cn1
C1CC(CCN1)n1cc(Nc2nc3ccc(Oc4ccccc4)nc3s2)cn1
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccn(CC3CCN(C3)C(=O)C=C)n2)s1
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccn(CC3CCCN(C3)C(=O)C=C)n2)s1
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cnn(c2)C2CCN(CC2)C(=O)C=C)s1
CCC(=O)N1CC[C@@H](C1)Nc1nccc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2C)n1 |r|
CC#CC(=O)NCCCC(=O)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc(C(=O)CCCNC(=O)C#CC)n2ccnc(N)c12
Cc1n(C)nc2cc(Nc3ccnc(Nc4ccc(C)c(c4)S(N)(=O)=O)n3)ccc12
CCCOc1ccc(cc1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C=C)c(N)c1C(N)=O |r,wU:13.13,wD:15.16,(3.84,8.98,;2.34,8.66,;1.86,7.2,;.35,6.88,;-.12,5.41,;.91,4.27,;.43,2.81,;-1.07,2.49,;-2.11,3.63,;-1.63,5.09,;-1.55,1.02,;-.65,-.23,;-1.55,-1.47,;-1.07,-2.94,;.41,-3.33,;.01,-4.82,;-1.47,-4.42,;-.76,-6.16,;.27,-7.3,;1.68,-6.67,;1.52,-5.14,;3.02,-7.44,;3.02,-8.98,;4.35,-6.67,;5.68,-7.44,;-3.02,-1,;-4.35,-1.77,;-3.02,.54,;-4.35,1.31,;-4.35,2.85,;-5.68,.54,)|
COc1ccc(-c2nn([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(N)c2C(N)=O)c(Cl)c1 |r,wU:9.8,wD:11.11,(1.86,8.09,;.35,7.77,;-.12,6.31,;-1.63,5.99,;-2.11,4.52,;-1.07,3.38,;-1.55,1.91,;-.65,.67,;-1.55,-.58,;-1.07,-2.04,;.41,-2.44,;.01,-3.93,;-1.47,-3.53,;-.76,-5.26,;.27,-6.41,;1.68,-5.78,;1.52,-4.25,;3.02,-6.55,;3.02,-8.09,;4.35,-5.78,;5.68,-6.55,;-3.02,-.1,;-4.35,-.87,;-3.02,1.44,;-4.35,2.21,;-4.35,3.75,;-5.68,1.44,;.43,3.7,;1.46,2.55,;.91,5.16,)|
Cc1cc(ccc1CNC(=O)c1nc(no1)C(C)(C)C)-c1ncnc(Nc2ccn(C)n2)n1
Cn1ccc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3nc(no3)C(C)(C)C)c(Cl)c2)n1
Cc1c(CNC(=O)c2noc(n2)C(C)(C)C)ccc(c1F)-c1ncnc(Nc2ccn(C)n2)n1
Cc1c(CNC(=O)c2nc(no2)C(C)(C)C)ccc(c1F)-c1ncnc(Nc2ccn(C)n2)n1
Cc1cc(ccc1CNC(=O)c1noc(n1)C(C)(C)C)-c1ncnc(Nc2cnn(C)c2)n1
Cc1cc(ccc1CNC(=O)c1nc(no1)C(C)(C)C)-c1ncnc(Nc2cnn(C)c2)n1
Cc1c(CNC(=O)c2noc(n2)C(C)(C)C)ccc(c1F)-c1ncnc(Nc2cnn(C)c2)n1
Cc1c(CNC(=O)c2nc(no2)C(C)(C)C)ccc(c1F)-c1ncnc(Nc2cnn(C)c2)n1
Cn1cc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3noc(n3)C(C)(C)C)c(Cl)c2)cn1
Cn1cc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3nc(no3)C(C)(C)C)c(Cl)c2)cn1
Cn1cc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3noc(n3)C(C)(C)C)c(c2)C(F)(F)F)cn1
Cn1cc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3nc(no3)C(C)(C)C)c(c2)C(F)(F)F)cn1
Cn1ccc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3nc(no3)C(C)(C)C)c(c2F)C(F)(F)F)n1
Cn1ccc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3noc(n3)C(C)(C)C)c(Cl)c2F)n1
Cn1ccc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3nc(no3)C(C)(C)C)c(Cl)c2F)n1
Cn1ccc(Nc2ncnc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)n1 |r|
Cc1c(CNC(=O)c2nn(cc2F)C(C)(C)C)ccc(c1F)-c1ncnc(Nc2cnn(C)c2)n1
Cn1cc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3noc(n3)C(C)(C)C)c(Cl)c2F)cn1
Cn1cc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3nc(no3)C(C)(C)C)c(Cl)c2F)cn1
Cn1cc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3noc(n3)C3(C)CC3)c(Cl)c2F)cn1
Cc1c(CNC(=O)c2ncc(o2)C(C)(C)C)ccc(c1F)-c1ncnc(Nc2cnn(C)c2)n1
Cc1c(CNC(=O)c2noc(n2)C2(C)CC2)ccc(c1F)-c1ncnc(Nc2cnn(C)c2)n1
Cn1cc(Nc2ncnc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2ncnc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2nc(no2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2ncnc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2cnc(o2)C(C)(C)C)cn1 |r|
Cc1c(CNC(=O)c2cnn(c2)C(C)(C)C)ccc(c1F)-c1ncnc(Nc2cnn(C)c2)n1
Cc1cc(ccc1CNC(=O)c1cnn(c1)C(C)(C)C)-c1ncnc(Nc2cnn(C)c2)n1
Cc1cc(ccc1CNC(=O)c1cc(on1)C(C)(C)C)-c1ncnc(Nc2cnn(C)c2)n1
Cc1cc(ccc1CNC(=O)c1nnn(n1)C(C)(C)C)-c1ncnc(Nc2cnn(C)c2)n1
Cc1cc(ccc1CNC(=O)c1noc(n1)C1(C)CC1)-c1ncnc(Nc2cnn(C)c2)n1
C[C@H]1[C@@H](C)C1c1nc(no1)C(=O)NCc1ccc(cc1C)-c1ncnc(Nc2cnn(C)c2)n1 |r|
Cc1c(CNC(=O)c2noc(n2)C(C)(C)CF)ccc(c1F)-c1ncnc(Nc2ccn(C)n2)n1
Cc1c(CNC(=O)c2nc(no2)C2(CF)CC2)ccc(c1F)-c1ncnc(Nc2cnn(C)c2)n1
Cc1cc(ccc1CNC(=O)c1nc(no1)C1(CF)CC1)-c1ncnc(Nc2cnn(C)c2)n1
Cc1cc(ccc1CNC(=O)c1noc(n1)C1(CF)CC1)-c1ncnc(Nc2cnn(C)c2)n1
Cc1c(CNC(=O)c2noc(n2)C2(CF)CC2)ccc(c1F)-c1ncnc(Nc2cnn(C)c2)n1
Cc1cc(c(F)cc1CNC(=O)c1noc(n1)C1(CF)CC1)-c1ncnc(Nc2cnn(C)c2)n1
Cn1ccc(Nc2ncnc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2noc(n2)C(C)(C)CF)n1 |r|
Cn1ccc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3noc(n3)C(C)(C)CF)c(c2)C2CC2)n1
Cn1ccc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3nc(no3)C(C)(C)C)c(C3CC3)c2F)n1
Cc1cc(c(F)cc1CNC(=O)c1noc(n1)C(C)(C)C)-c1ncnc(Nc2cnn(C)c2)n1
Cc1cc(c(F)cc1CNC(=O)c1nc(no1)C(C)(C)C)-c1ncnc(Nc2cnn(C)c2)n1
Cc1cc(c(F)cc1CNC(=O)c1nnn(n1)C(C)(C)C)-c1ncnc(Nc2cnn(C)c2)n1
Cc1cc(c(F)cc1CNC(=O)c1noc(n1)C1(C)CC1)-c1ncnc(Nc2cnn(C)c2)n1
Cc1cc(c(F)cc1CNC(=O)c1nc(no1)C1(CF)CC1)-c1ncnc(Nc2cnn(C)c2)n1
Cc1cc(c(F)cc1CNC(=O)c1cnn(c1)C(C)(C)C)-c1ncnc(Nc2cnn(C)c2)n1
Cc1cc(c(F)cc1CNC(=O)c1cc(no1)C(C)(C)C)-c1ncnc(Nc2cnn(C)c2)n1
Cc1cc(c(F)cc1CNC(=O)c1cc(on1)C(C)(C)C)-c1ncnc(Nc2cnn(C)c2)n1
Cc1cc(c(F)cc1CNC(=O)c1coc(n1)C(C)(C)C)-c1ncnc(Nc2cnn(C)c2)n1
C[C@@H](NC(=O)c1noc(n1)C(C)(C)C)c1ccc(c(F)c1Cl)-c1ncnc(Nc2cnn(C)c2)n1 |r|
C[C@@H](NC(=O)c1noc(n1)C(C)(C)C)c1ccc(c(F)c1C)-c1ncnc(Nc2ccn(C)n2)n1 |r|
C[C@@H](NC(=O)c1nc(no1)C(C)(C)C)c1ccc(c(F)c1C)-c1ncnc(Nc2ccn(C)n2)n1 |r|
C[C@@H](NC(=O)c1noc(n1)C(C)(C)C)c1ccc(c(F)c1C)-c1ncnc(Nc2cnn(C)c2)n1 |r|
C[C@@H](NC(=O)c1nc(no1)C(C)(C)C)c1ccc(c(F)c1C)-c1ncnc(Nc2cnn(C)c2)n1 |r|
C[C@@H](NC(=O)c1cc(no1)C(C)(C)C)c1ccc(c(F)c1C)-c1ncnc(Nc2cnn(C)c2)n1 |r|
C[C@@H](NC(=O)c1cc(on1)C(C)(C)C)c1ccc(c(F)c1C)-c1ncnc(Nc2cnn(C)c2)n1 |r|
C[C@@H](NC(=O)c1noc(n1)C(C)(C)C)c1ccc(c(C)c1Cl)-c1ncnc(Nc2cnn(C)c2)n1 |r|
C[C@@H](NC(=O)c1nc(no1)C(C)(C)C)c1ccc(c(Cl)c1C)-c1ncnc(Nc2cnn(C)c2)n1 |r|
C[C@@H](NC(=O)c1noc(n1)C(C)(C)C)c1ccc(c(Cl)c1C)-c1ncnc(Nc2cnn(C)c2)n1 |r|
Cn1ccc(Nc2ncnc(n2)-c2cc3CCCC[C@@H](NC(=O)c4noc(n4)C(C)(C)C)c3cc2F)n1 |r|
Cn1ccc(Nc2ncnc(n2)-c2cc3CCCC[C@@H](NC(=O)c4nc(no4)C(C)(C)C)c3cc2F)n1 |r|
Cn1cc(Nc2ncnc(n2)-c2cc3CCCC[C@@H](NC(=O)c4noc(n4)C(C)(C)C)c3cc2F)cn1 |r|
Cn1cc(Nc2ncnc(n2)-c2cc3CCCC[C@@H](NC(=O)c4nc(no4)C(C)(C)C)c3cc2F)cn1 |r|
Cn1cc(Nc2ncnc(n2)-c2ccc3[C@@H](CCCCc3c2F)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
Cn1ccc(Nc2ncnc(n2)-c2ccc3[C@@H](CCCCc3c2F)NC(=O)c2nc(no2)C(C)(C)C)n1 |r|
Cn1cc(Nc2ncnc(n2)-c2ccc3[C@@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2ncnc(n2)-c2ccc3[C@@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2nc(no2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2ncnc(n2)-c2ccc3[C@@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2coc(n2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2ncnc(n2)-c2ccc3[C@@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2nc(co2)C(C)(C)C)cn1 |r|
Cn1ccc(Nc2ncnc(n2)-c2ccc3[C@@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2coc(n2)C(C)(C)C)n1 |r|
Cn1ccc(Nc2ncnc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2nc(no2)C(C)(C)C)n1 |r|
Cc1cc(ccc1CNC(=O)c1cnc(o1)C(C)(C)C)-c1ncnc(Nc2cnn(C)c2)n1
Cc1c(CNC(=O)c2coc(n2)C(C)(C)C)ccc(c1F)-c1ncnc(Nc2ccn(C)n2)n1
C[C@@H](NC(=O)c1noc(n1)C(C)(C)C)c1ccc(c(F)c1Cl)-c1ncnc(Nc2ccn(C)n2)n1 |r|
C[C@@H](NC(=O)c1nc(no1)C(C)(C)C)c1ccc(c(F)c1Cl)-c1ncnc(Nc2ccn(C)n2)n1 |r|
Cn1cc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3coc(n3)C(C)(C)C)c(Cl)c2F)cn1
Cn1ccc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3noc(n3)C3(C)CC3)c(Cl)c2F)n1
Cc1c(CNC(=O)c2cn(nn2)C(C)(C)C)ccc(c1F)-c1ncnc(Nc2cnn(C)c2)n1
Cc1c(CNC(=O)c2ccn(n2)C(C)(C)C)ccc(c1F)-c1ncnc(Nc2cnn(C)c2)n1
Cc1cc(ccc1CNC(=O)c1coc(n1)C(C)(C)C)-c1ncnc(Nc2cnn(C)c2)n1
Cc1cc(ccc1CNC(=O)c1cc(no1)C(C)(C)C)-c1ncnc(Nc2cnn(C)c2)n1
Cn1ccc(Nc2ncnc(n2)-c2ccc3[C@@H](CCCCc3c2F)NC(=O)c2noc(n2)C(C)(C)C)n1 |r|
Cn1ccc(Nc2ncnc(n2)-c2ccc3[C@@H](CCCCc3c2F)NC(=O)c2coc(n2)C(C)(C)C)n1 |r|
Cc1c(CNC(=O)c2noc(n2)C2(C)CC2)ccc(c1F)-c1ncnc(Nc2ccn(C)n2)n1
Cc1cc(ccc1CNC(=O)c1nc(co1)C(C)(C)C)-c1ncnc(Nc2cnn(C)c2)n1
Cc1cc(ccc1CNC(=O)c1noc(n1)C(C)(C)C)-c1ncnc(Nc2ccn(C)n2)n1
Cc1cc(ccc1CNC(=O)c1cnc(o1)C(C)(C)C)-c1ncnc(Nc2ccn(C)n2)n1
Cc1cc(ccc1CNC(=O)c1nn(cc1F)C(C)(C)C)-c1ncnc(Nc2ccn(C)n2)n1
Cn1ccc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3noc(n3)C(C)(C)C)c(Cl)c2)n1
Cn1ccc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3noc(n3)C(C)(C)C)c(c2)C(F)(F)F)n1
Cn1ccc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3nc(no3)C(C)(C)C)c(c2)C(F)(F)F)n1
Cn1ccc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3noc(n3)C(C)(C)C)c(c2F)C(F)(F)F)n1
Cc1cc(ccc1CNC(=O)c1cc(on1)C(C)(C)C)-c1ncnc(Nc2ccn(C)n2)n1
Cc1cc(ccc1CNC(=O)c1cc(no1)C(C)(C)C)-c1ncnc(Nc2ccn(C)n2)n1
Cc1cc(ccc1CNC(=O)c1noc(n1)C(C)(C)CF)-c1ncnc(Nc2ccn(C)n2)n1
Cc1c(CNC(=O)c2nc(no2)C2(CF)CC2)ccc(c1F)-c1ncnc(Nc2ccn(C)n2)n1
Cc1c(CNC(=O)c2noc(n2)C2(CC2)C(F)(F)F)ccc(c1F)-c1ncnc(Nc2ccn(C)n2)n1
Cc1cc(c(F)cc1CNC(=O)c1cn(nn1)C(C)(C)C)-c1ncnc(Nc2cnn(C)c2)n1
Cn1ccc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3nc(no3)C(C)(C)C)c(C(F)F)c2F)n1
Cn1ccc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3noc(n3)C(C)(C)C)c(CC(F)F)c2)n1
Cn1ccc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3nc(no3)C(C)(C)C)c(CC(F)F)c2)n1
C[C@@H](NC(=O)c1nc(no1)C(C)(C)C)c1ccc(c(C)c1Cl)-c1ncnc(Nc2cnn(C)c2)n1 |r|
C[C@@H](NC(=O)c1noc(n1)C(C)(C)C)c1ccc(c(C)c1Cl)-c1ncnc(Nc2ccn(C)n2)n1 |r|
C[C@@H](NC(=O)c1noc(n1)C(C)(C)C)c1ccc(c(F)c1C(F)F)-c1ncnc(Nc2ccn(C)n2)n1 |r|
C[C@@H](NC(=O)c1nc(no1)C(C)(C)C)c1ccc(c(F)c1C(F)F)-c1ncnc(Nc2ccn(C)n2)n1 |r|
Cn1ccc(Nc2ncnc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2coc(n2)C(C)(C)C)n1 |r|
Cn1ccc(Nc2ncnc(n2)-c2ccc3[C@@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2nc(co2)C(C)(C)C)n1 |r|
CN1CC[C@@H](NC(=O)c2nc(no2)C(C)(C)C)c2ccc(cc2C1)-c1ncnc(Nc2ccn(C)n2)n1 |r|
Cc1cc(ccc1CNC(=O)c1cn(nn1)C(C)(C)C)-c1ncnc(Nc2cnn(C)c2)n1
Cc1cc(ccc1CNC(=O)c1nnc(o1)C(C)(C)C)-c1ncnc(Nc2cnn(C)c2)n1
CN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C(=O)Nc2ccccc2)c2cccc(NC(=O)C=C)c2)cc1
CN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C(=O)NCc2ccccc2)c2cccc(NC(=O)C=C)c2)cc1
C=CC(=O)Nc1cccc(c1)N(C(=O)OCc1ccccc1)c1ccnc2[nH]ccc12
CN(C)C\C=C\C(=O)Nc1cccc(c1)N(C(=O)OCc1ccccc1)c1ccnc2[nH]ccc12
Cn1cc(Nc2nccc(n2)N(C(=O)OCc2ccccc2)c2cccc(NC(=O)C=C)c2)cn1
C=CC(=O)Nc1cccc(c1)N(C(=O)OCc1ccccc1)c1ccnc(Nc2cnn(c2)C2CCOCC2)n1
C=CC(=O)Nc1cccc(c1)N(C(=O)OCc1ccccc1)c1ccnc(Nc2cnn(CCN3CCOCC3)c2)n1
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccccc3)cc2)c2c(N)nccn12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(cc3)C(F)(F)F)cc2)c2c(N)nccn12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(F)cc3)cc2)c2c(N)nccn12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccccn3)cc2)c2c(N)nccn12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3cc(F)ccn3)cc2)c2c(N)nccn12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccccc3)nc2)c2c(N)nccn12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCCc3ccccc3)cc2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(OCc4ccccc4)cc3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Nc1nccn2c(nc(-c3ccc(OCc4ccccc4)nc3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Nc1nccn2c(nc(-c3ccc(OCc4ccccn4)cc3)c12)[C@@H]1CCCN1C(=O)C=C |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C=C)n3ccncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C(=C\C(C)(C)C)\C#N)n3ccncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C(N)=O)n3ccncc23)c1F |r|
C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(Oc3ccccc3)nc2)c2cnccn12 |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(C)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccncc23)c1F |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(Oc3cccc(F)c3)cc2)c2cnccn12 |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccncc23)c1 |r|
COc1ccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)cc1 |r|
Cc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1 |r|
Fc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1 |r|
Cc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1C |r|
Clc1cc(Oc2ccccc2)ccc1-c1nc([C@@H]2CCCN2C(=O)C=C)n2ccncc12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(Oc3ccccc3)cc2Cl)c2cnccn12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(Oc3ccccc3)nc2)c2cnccn12 |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(Oc3cccc(Cl)c3F)cc2)c2cnccn12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(Oc3cccc(C)c3)cc2)c2cnccn12 |r|
COc1ccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccncc23)cc1 |r|
Fc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccncc23)c1C |r|
Fc1c(Cl)cccc1Oc1ccc(cc1)-c1nc([C@@H]2CCCN2C(=O)C=C)n2ccncc12 |r|
COc1ccccc1Oc1ccc(cc1)-c1nc([C@@H]2CCCN2C(=O)C=C)n2ccncc12 |r|
COc1ccccc1Oc1ccc(cc1)-c1nc([C@@H]2CCCN2C(=O)C#CC)n2ccncc12 |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccncc23)c1F |r|
Clc1cc(ccc1Oc1ccccc1)-c1nc([C@@H]2CCCN2C(=O)C=C)n2ccncc12 |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(C)c23)c1F |r|
Clc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1 |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1C |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C(=C\C(C)(C)C)\C#N)n3ccncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3Cc3ccccc3)n3ccncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C(N)=O)n3ccncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccnc(O)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccnc(O)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccnc(C(N)=O)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccnc(C(N)=O)c23)c1F |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(Oc3cccc(OC(C)C)c3)cc2)c2cnccn12 |r|
Cc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(C)c23)c1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Oc3cccc(C)c3)cc2)c2c(C)nccn12 |r|
Cc1nccn2c(nc(-c3ccc(Oc4cccc(Cl)c4F)cc3)c12)[C@@H]1CCCCN1C(=O)C=C |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Oc3cccc(Cl)c3F)cc2)c2c(C)nccn12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(Oc3ccccc3)cn2)c2cnccn12 |r|
Fc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccncc23)c1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Oc3cccc(F)c3)cc2)c2cnccn12 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Oc3cccc(Cl)c3F)cc2)c2cnccn12 |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(C)c23)c1 |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(C)c23)c1 |r|
Cc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccncc23)c1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Oc3cccc(C)c3)cc2)c2cnccn12 |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C#CC)n3ccncc23)c1 |r|
CC#CC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(Oc3cccc(F)c3)cc2)c2cnccn12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(Oc3ccccc3)c(Cl)c2)c2cnccn12 |r|
Cc1nccn2c(nc(-c3ccc(Oc4cccc(F)c4)cc3)c12)[C@@H]1CCCCN1C(=O)C=C |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Oc3cccc(F)c3)cc2)c2c(C)nccn12 |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccnc(C)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccncc23)c1 |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccncc23)c1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Oc3cccc(F)c3F)cc2)c2c(C)nccn12 |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccnc(C)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3c(C)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3c(C)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3c(C)cnc(C)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3c(C)cnc(C)c23)c1F |r|
COC(=O)c1nccn2c(nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c12)[C@@H]1CCCCN1C(=O)C=C |r|
COC(=O)c1nccn2c(nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c12)[C@@H]1CCCCN1C(=O)C#CC |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C=C)n3ccncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C#CC)n3ccncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C=C)n3c(C)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C#CC)n3c(C)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C=C)n3c(C)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C#CC)n3c(C)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C=C)n3c(C)cnc(C)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C#CC)n3c(C)cnc(C)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C=C)n3c(C)cnc(C)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C#CC)n3c(C)cnc(C)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3c(C)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3c(C)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3c(C)cnc(C)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3c(C)cnc(C)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3c(OC)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3cc(C)ncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C=C)n3c(OC)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C#CC)n3c(OC)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(C4CC4)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C(=C\C(C)(C)C)\C#N)n3ccnc(C)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C=C)n3c(OCCN(C)C)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C#CC)n3c(OCCN(C)C)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(C)=O)n3ccnc(C)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C#CC)n3ccnc(C)c23)c1F |r|
CCOc1cncc2c(nc([C@@H]3CCN(C3)C(=O)C#CC)n12)-c1ccc(Oc2cccc(OC)c2F)cc1 |r|
CCOc1cncc2c(nc([C@@H]3CCN(C3)C(=O)C=C)n12)-c1ccc(Oc2cccc(OC)c2F)cc1 |r|
CCCOc1cncc2c(nc([C@@H]3CCN(C3)C(=O)C=C)n12)-c1ccc(Oc2cccc(OC)c2F)cc1 |r|
CCCOc1cncc2c(nc([C@@H]3CCN(C3)C(=O)C#CC)n12)-c1ccc(Oc2cccc(OC)c2F)cc1 |r|
CCCCOc1cncc2c(nc([C@@H]3CCN(C3)C(=O)C#CC)n12)-c1ccc(Oc2cccc(OC)c2F)cc1 |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C=C)n3c(OC4CCOC4)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C#CC)n3c(OC4CCOC4)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C=C)n3c(OC4CCC4)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C#CC)n3c(OC4CCC4)cncc23)c1F |r|
CCCCOc1cncc2c(nc([C@@H]3CCN(Cc4ccccc4)C3)n12)-c1ccc(Oc2cccc(OC)c2F)cc1 |r|
COCCOc1cncc2c(nc([C@@H]3CCN(C3)C(=O)C#CC)n12)-c1ccc(Oc2cccc(OC)c2F)cc1 |r|
COCCOc1cncc2c(nc([C@@H]3CCN(C3)C(=O)C=C)n12)-c1ccc(Oc2cccc(OC)c2F)cc1 |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)\C=C\CN(C)C3CC3)n3ccnc(C)c23)c1F |r|
CCc1nccn2c(nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
CCc1nccn2c(nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c12)[C@@H]1CCN(C1)C(=O)C#CC |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C#CC)n3ccnc(C(N)=O)c23)c1F |r|
CCCc1nccn2c(nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
CCCc1nccn2c(nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c12)[C@@H]1CCN(C1)C(=O)C#CC |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C=C)n3ccnc(C(C)C)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C#CC)n3ccnc(C(C)C)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C=C)n3ccnc(O)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C=C)n3c(OC(C)C)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C#CC)n3c(OC(C)C)cncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C#CC)n3ccnc(OC)c23)c1F |r|
CCOc1nccn2c(nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c12)[C@@H]1CCN(C1)C(=O)C#CC |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C#CC)n3ccnc(COC(C)=O)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C#CC)n3ccnc(CO)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C#CC)n3ccnc(CF)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(c23)C(F)(F)F)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(c23)C(F)(F)F)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccnc(CO)c23)c1F |r|
Fc1cccc(COc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1F |r|
Fc1ccccc1OCc1ccc(cc1)-c1nc([C@@H]2CCCN2C(=O)C=C)n2ccncc12 |r|
Fc1ccc(OCc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)cc1 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3cccc(F)c3F)cc2)c2cnccn12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(COc3ccc(F)cc3)cc2)c2cnccn12 |r|
Fc1cccc(OCc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1F |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(COc3cccc(F)c3F)cc2)c2cnccn12 |r|
Fc1ccc(OCc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)cc1F |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(COc3ccc(F)c(F)c3)cc2)c2cnccn12 |r|
Fc1ccc(COc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)cc1F |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(F)c(F)c3)cc2)c2cnccn12 |r|
Fc1cccc(COc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1 |r|
Fc1cccc(F)c1COc1ccc(cc1)-c1nc([C@@H]2CCCN2C(=O)C=C)n2ccncc12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3c(F)cccc3F)cc2)c2cnccn12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3cccc(F)c3)cc2)c2cnccn12 |r|
Cc1nccn2c(nc(-c3ccc(OCc4cccc(F)c4)cc3)c12)[C@@H]1CCCCN1C(=O)C=C |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(OCc3cccc(F)c3)cc2)c2c(C)nccn12 |r|
Clc1cccc(COc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3cccc(Cl)c3)cc2)c2cnccn12 |r|
C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(COc3ccccc3)cc2)c2cnccn12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(COc3ccccc3)cc2)c2cnccn12 |r|
Fc1cccc(OCc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(COc3ccccc3F)cc2)c2cnccn12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(COc3cccc(F)c3)cc2)c2cnccn12 |r|
Fc1ccc(OCc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccncc23)cc1F |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(COc3ccc(F)c(F)c3)cc2)c2cnccn12 |r|
Cc1nccn2c(nc(-c3ccc(COc4ccc(F)c(F)c4)cc3)c12)[C@@H]1CCCCN1C(=O)C=C |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(COc3ccc(F)c(F)c3)cc2)c2c(C)nccn12 |r|
Fc1cccc(OCc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccncc23)c1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(OCc3cccc(F)c3)cc2)c2cnccn12 |r|
Cc1nccn2c(nc(-c3ccc(OCc4cccc(F)c4F)cc3)c12)[C@@H]1CCCCN1C(=O)C=C |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(OCc3cccc(F)c3F)cc2)c2c(C)nccn12 |r|
Cc1nccn2c(nc(-c3ccc(COc4cccc(F)c4)cc3)c12)[C@@H]1CCCCN1C(=O)C=C |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(COc3cccc(F)c3)cc2)c2c(C)nccn12 |r|
Fc1cccc(OCc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccncc23)c1F |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(COc3cccc(F)c3F)cc2)c2cnccn12 |r|
COc1cccc(OCc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccncc23)c1F |r|
COc1cccc(OCc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1F |r|
Cc1nccn2c(nc(-c3cccc(OCc4cccc(c4)C(F)(F)F)c3)c12)[C@@H]1CCCCN1C(=O)C=C |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2cccc(OCc3cccc(c3)C(F)(F)F)c2)c2c(C)nccn12 |r|
COc1cccc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccncc23)c1F |r|
COc1cccc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1F |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2cnccn12 |r|
CC#CC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2cnccn12 |r|
C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2cnccn12 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2cnccn12 |r|
Cc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCCN1C(=O)C=C |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(C)nccn12 |r|
Cc1cncc2c(nc([C@@H]3CCCN3C(=O)C=C)n12)-c1ccc(cc1)C(=O)Nc1ccccn1 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2cncc(C)n12 |r|
Cc1cnc(C)c2c(nc([C@@H]3CCCN3C(=O)C=C)n12)-c1ccc(cc1)C(=O)Nc1ccccn1 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(C)ncc(C)n12 |r|
C=CC(=O)N1CC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2cnccn12 |r|
CC#CC(=O)N1CC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2cnccn12 |r|
Cc1cncc2c(nc([C@@H]3CCCN(C3)C(=O)C=C)n12)-c1ccc(cc1)C(=O)Nc1ccccn1 |r|
CC#CC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2cncc(C)n12 |r|
Cc1cncc2c(nc([C@@H]3CCN(C3)C(=O)C=C)n12)-c1ccc(cc1)C(=O)Nc1ccccn1 |r|
CC#CC(=O)N1CC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2cncc(C)n12 |r|
Cc1cnc(C)c2c(nc([C@@H]3CCN(C3)C(=O)C=C)n12)-c1ccc(cc1)C(=O)Nc1ccccn1 |r|
CC#CC(=O)N1CC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(C)ncc(C)n12 |r|
Cc1cnc(C)c2c(nc([C@@H]3CCCN(C3)C(=O)C=C)n12)-c1ccc(cc1)C(=O)Nc1ccccn1 |r|
CC#CC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(C)ncc(C)n12 |r|
Cc1cncc2c(nc([C@@H]3CCCCN3C(=O)C=C)n12)-c1ccc(cc1)C(=O)Nc1ccccn1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2cncc(C)n12 |r|
Cc1cnc(C)c2c(nc([C@@H]3CCCCN3C(=O)C=C)n12)-c1ccc(cc1)C(=O)Nc1ccccn1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(C)ncc(C)n12 |r|
C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(nccn12)C1CC1 |r|
C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(nccn12)C1CC1 |r|
CCOc1cncc2c(nc([C@@H]3CCN(C3)C(=O)C#CC)n12)-c1ccc(cc1)C(=O)Nc1ccccn1 |r|
CCOc1cncc2c(nc([C@@H]3CCN(C3)C(=O)C=C)n12)-c1ccc(cc1)C(=O)Nc1ccccn1 |r|
FC(F)(F)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCN(C3)C(=O)C=C)n3ccncc23)c1 |r|
COCc1cncc2c(nc([C@@H]3CCN(C3)C(=O)C#CC)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
COCc1cncc2c(nc([C@@H]3CCN(C3)C(=O)C=C)n12)-c1ccc(cc1F)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
COCc1cncc2c(nc([C@@H]3CCN(C3)C(=O)C#CC)n12)-c1ccc(cc1F)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
FC(F)(F)c1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCCN1C(=O)C=C |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(nccn12)C(F)(F)F |r|
FC(F)(F)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(c23)C(F)(F)F)c1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(nccn12)C(F)(F)F |r|
COCc1cncc2c(nc([C@@H]3CCCN3C(=O)C#CC)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
COCc1cncc2c(nc([C@@H]3CCCN3C(=O)C=C)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cnc(C)c2c(nc([C@@H]3CCN(C3)C(=O)C#CC)n12)-c1ccc(cc1)C(=O)Nc1ccccn1 |r|
CCOc1cnc(C)c2c(nc([C@@H]3CCN(C3)C(=O)C=C)n12)-c1ccc(cc1)C(=O)Nc1ccccn1 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(CO)nccn12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(CO)nccn12 |r|
CC#CN1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(CF)nccn12 |r|
CC#CN1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(CO)nccn12 |r|
CC#CC(=O)N1CC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2cnccn12 |r|
CC#CC(=O)N1CC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2cnccn12 |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCC4CCC(=O)N4C3)n3ccncc23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc(C3CCC4CCN(C)C(=O)N4C3)n3ccncc23)c1F
CN(C)C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(nccn12)C(F)(F)F |r|
CN(C)C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(nccn12)C(F)(F)F |r|
COC\C=C\C(=O)N1CCCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@@H](CC4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,28.33,(-2.91,3.85,;-4.24,3.08,;-5.58,3.85,;-6.91,3.08,;-8.25,3.85,;-9.58,3.08,;-9.58,1.54,;-10.91,.77,;-12.25,1.54,;-12.25,3.08,;-10.91,3.85,;-6.91,1.54,;-5.58,.77,;-4.24,1.54,;-2.91,.77,;-2.89,-.77,;-4.23,-1.54,;-4.23,-3.08,;-2.89,-3.85,;-1.56,-3.08,;-.1,-3.56,;.7,-2.13,;2.24,-2.13,;3.01,-3.47,;3.01,-.8,;4.55,-.8,;5.32,-2.13,;6.86,-2.13,;7.63,-.8,;6.86,.53,;5.32,.53,;9.17,-.8,;9.94,-2.13,;9.17,-3.47,;11.48,-2.13,;12.25,-.8,;-.23,-.77,;-.23,.77,;-1.56,1.54,;-1.56,3.08,;-1.56,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:29.33,wD:25.26,(-2.53,4.33,;-3.86,3.56,;-5.19,4.33,;-6.53,3.56,;-7.86,4.33,;-9.19,3.56,;-9.19,2.02,;-10.53,1.25,;-11.86,2.02,;-11.86,3.56,;-10.53,4.33,;-6.53,2.02,;-5.19,1.25,;-3.86,2.02,;-2.53,1.25,;-2.51,-.29,;-3.84,-1.06,;-3.84,-2.6,;-2.51,-3.37,;-1.18,-2.6,;.29,-3.08,;1.08,-1.66,;2.62,-1.66,;3.39,-2.99,;3.39,-.32,;4.93,-.32,;5.7,1.01,;7.24,1.01,;8.01,-.32,;7.24,-1.66,;5.7,-1.66,;8.01,-2.99,;9.55,-2.99,;10.32,-1.66,;10.32,-4.33,;11.86,-4.33,;.16,-.29,;.16,1.25,;-1.18,2.02,;-1.18,3.56,;-1.18,-1.06,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@@H](CC4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,28.33,(-2.96,3.85,;-4.29,3.08,;-5.63,3.85,;-6.96,3.08,;-8.29,3.85,;-9.63,3.08,;-10.96,3.85,;-12.29,3.08,;-12.29,1.54,;-10.96,.77,;-9.63,1.54,;-6.96,1.54,;-5.63,.77,;-4.29,1.54,;-2.96,.77,;-2.96,-.77,;-4.29,-1.54,;-4.29,-3.08,;-2.96,-3.85,;-1.63,-3.08,;-.16,-3.56,;.74,-2.31,;2.28,-2.31,;3.05,-3.64,;3.05,-.98,;4.59,-.98,;5.36,-2.31,;6.9,-2.31,;7.67,-.98,;6.9,.36,;5.36,.36,;9.21,-.98,;9.98,.36,;9.21,1.69,;11.52,.36,;12.29,1.69,;-.29,-.77,;-.29,.77,;-1.63,1.54,;-1.63,3.08,;-1.63,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H]4O)c([nH]c1=O)c23 |r,wU:29.32,wD:25.26,(-2.89,-.66,;-2.89,.88,;-4.22,1.65,;-4.22,3.19,;-5.56,3.96,;-6.89,3.19,;-8.22,3.96,;-9.56,3.19,;-9.56,1.65,;-8.22,.88,;-6.89,1.65,;-2.89,3.96,;-1.56,3.19,;-1.56,1.65,;-.22,.88,;-.22,-.66,;-1.5,-1.98,;-1.18,-3.49,;.29,-3.96,;1.43,-2.93,;2.96,-3.09,;3.59,-1.69,;5.1,-1.37,;6.13,-2.51,;5.57,.1,;7.08,.42,;7.71,1.82,;9.24,1.66,;9.56,.16,;8.22,-.61,;8.06,-2.14,;2.45,-.66,;2.45,.88,;1.11,1.65,;1.11,3.19,;1.11,-1.43,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4N)c([nH]c1=O)c23 |r,wU:25.26,30.33,(-.65,3.85,;-1.98,3.08,;-3.32,3.85,;-4.65,3.08,;-5.98,3.85,;-7.32,3.08,;-8.65,3.85,;-9.98,3.08,;-9.98,1.54,;-8.65,.77,;-7.32,1.54,;-4.65,1.54,;-3.32,.77,;-1.98,1.54,;-.65,.77,;-.65,-.77,;-1.98,-1.54,;-1.98,-3.08,;-.65,-3.85,;.68,-3.08,;2.15,-3.56,;3.05,-2.31,;4.59,-2.31,;5.36,-3.64,;5.36,-.98,;6.9,-.98,;7.67,-2.31,;9.21,-2.31,;9.98,-.98,;9.21,.36,;7.67,.36,;6.9,1.69,;2.02,-.77,;2.02,.77,;.68,1.54,;.68,3.08,;.68,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4O)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-.29,5.1,;-1.63,4.33,;-2.96,5.1,;-4.29,4.33,;-5.63,5.1,;-6.96,4.33,;-8.3,5.1,;-9.63,4.33,;-9.63,2.79,;-8.3,2.02,;-6.96,2.79,;-4.29,2.79,;-2.96,2.02,;-1.63,2.79,;-.29,2.02,;-.29,.48,;-1.63,-.29,;-1.63,-1.83,;-.29,-2.6,;1.04,-1.83,;2.5,-2.3,;3.41,-1.06,;4.95,-1.06,;5.72,.28,;5.72,-2.39,;7.26,-2.39,;8.16,-1.15,;9.63,-1.62,;9.63,-3.16,;8.16,-3.64,;7.69,-5.1,;2.37,.48,;2.37,2.02,;1.04,2.79,;1.04,4.33,;1.04,-.29,)|
CN(C)[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:8.9,3.2,(9.73,-2.61,;8.24,-2.21,;7.15,-3.3,;7.84,-.73,;9.35,-.41,;9.82,1.06,;8.79,2.2,;7.29,1.88,;6.81,.42,;5.31,.1,;4.83,-1.37,;5.86,-2.51,;3.32,-1.69,;2.7,-3.09,;1.17,-2.93,;.02,-3.96,;-1.44,-3.49,;-1.76,-1.98,;-.49,-.66,;-.49,.88,;-1.82,1.65,;-1.82,3.19,;-3.16,3.96,;-4.49,3.19,;-5.82,3.96,;-7.16,3.19,;-8.49,3.96,;-9.82,3.19,;-9.82,1.65,;-8.49,.88,;-7.16,1.65,;-4.49,1.65,;-3.16,.88,;-3.16,-.66,;.85,1.65,;.85,3.19,;2.18,.88,;2.18,-.66,;.85,-1.43,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4O)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-2.89,-.66,;-2.89,.88,;-4.22,1.65,;-4.22,3.19,;-5.56,3.96,;-6.89,3.19,;-8.22,3.96,;-9.56,3.19,;-9.56,1.65,;-8.22,.88,;-6.89,1.65,;-2.89,3.96,;-1.56,3.19,;-1.56,1.65,;-.22,.88,;-.22,-.66,;-1.5,-1.98,;-1.18,-3.49,;.29,-3.96,;1.43,-2.93,;2.96,-3.09,;3.59,-1.69,;5.1,-1.37,;6.13,-2.51,;5.57,.1,;7.08,.42,;7.71,1.82,;9.24,1.66,;9.56,.16,;8.22,-.61,;8.06,-2.14,;2.45,-.66,;2.45,.88,;1.11,1.65,;1.11,3.19,;1.11,-1.43,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H]4O)c([nH]c1=O)c23 |r,wU:29.32,wD:25.26,(-.29,5.1,;-1.63,4.33,;-2.96,5.1,;-4.29,4.33,;-5.63,5.1,;-6.96,4.33,;-8.3,5.1,;-9.63,4.33,;-9.63,2.79,;-8.3,2.02,;-6.96,2.79,;-4.29,2.79,;-2.96,2.02,;-1.63,2.79,;-.29,2.02,;-.29,.48,;-1.63,-.29,;-1.63,-1.83,;-.29,-2.6,;1.04,-1.83,;2.5,-2.3,;3.41,-1.06,;4.95,-1.06,;5.72,.28,;5.72,-2.39,;7.26,-2.39,;8.16,-1.15,;9.63,-1.62,;9.63,-3.16,;8.16,-3.64,;7.69,-5.1,;2.37,.48,;2.37,2.02,;1.04,2.79,;1.04,4.33,;1.04,-.29,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4N)c([nH]c1=O)c23 |r,wD:25.26,30.33,(-.65,5.08,;-1.98,4.31,;-3.32,5.08,;-4.65,4.31,;-5.98,5.08,;-7.32,4.31,;-8.65,5.08,;-9.98,4.31,;-9.98,2.77,;-8.65,2,;-7.32,2.77,;-4.65,2.77,;-3.32,2,;-1.98,2.77,;-.65,2,;-.65,.46,;-1.98,-.31,;-1.98,-1.85,;-.65,-2.62,;.68,-1.85,;2.15,-2.33,;3.05,-1.08,;4.59,-1.08,;5.36,.25,;5.36,-2.41,;6.9,-2.41,;7.67,-1.08,;9.21,-1.08,;9.98,-2.41,;9.21,-3.75,;7.67,-3.75,;6.9,-5.08,;2.02,.46,;2.02,2,;.68,2.77,;.68,4.31,;.68,-.31,)|
CC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:8.9,wD:4.3,(9.95,.28,;8.46,.68,;8.06,2.16,;7.37,-.41,;7.85,-1.88,;9.31,-2.35,;9.31,-3.89,;7.85,-4.37,;6.94,-3.12,;5.4,-3.12,;4.63,-1.79,;5.4,-.46,;3.09,-1.79,;2.19,-3.04,;.72,-2.56,;-.61,-3.33,;-1.95,-2.56,;-1.95,-1.02,;-.61,-.25,;-.61,1.29,;-1.95,2.06,;-3.28,1.29,;-4.61,2.06,;-4.61,3.6,;-5.95,4.37,;-7.28,3.6,;-8.61,4.37,;-9.95,3.6,;-9.95,2.06,;-8.61,1.29,;-7.28,2.06,;-3.28,4.37,;-1.95,3.6,;-.61,4.37,;.72,2.06,;.72,3.6,;2.06,1.29,;2.06,-.25,;.72,-1.02,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4N)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-2.89,-.66,;-2.89,.88,;-4.22,1.65,;-4.22,3.19,;-5.56,3.96,;-6.89,3.19,;-8.22,3.96,;-9.56,3.19,;-9.56,1.65,;-8.22,.88,;-6.89,1.65,;-2.89,3.96,;-1.56,3.19,;-1.56,1.65,;-.22,.88,;-.22,-.66,;-1.5,-1.98,;-1.18,-3.49,;.29,-3.96,;1.43,-2.93,;2.96,-3.09,;3.59,-1.69,;5.1,-1.37,;6.13,-2.51,;5.57,.1,;7.08,.42,;7.4,1.92,;8.93,2.09,;9.56,.68,;8.41,-.35,;8.57,-1.88,;2.45,-.66,;2.45,.88,;1.11,1.65,;1.11,3.19,;1.11,-1.43,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2cccc3sc(C(=O)N[C@H]4CC[C@@H](CC4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:28.33,wD:25.26,(-2.96,3.85,;-4.29,3.08,;-5.63,3.85,;-6.96,3.08,;-8.29,3.85,;-9.63,3.08,;-10.96,3.85,;-12.29,3.08,;-12.29,1.54,;-10.96,.77,;-9.63,1.54,;-6.96,1.54,;-5.63,.77,;-4.29,1.54,;-2.96,.77,;-2.96,-.77,;-4.29,-1.54,;-4.29,-3.08,;-2.96,-3.85,;-1.63,-3.08,;-.16,-3.56,;.74,-2.31,;2.28,-2.31,;3.05,-3.64,;3.05,-.98,;4.59,-.98,;5.36,-2.31,;6.9,-2.31,;7.67,-.98,;6.9,.36,;5.36,.36,;9.21,-.98,;9.98,.36,;9.21,1.69,;11.52,.36,;12.29,-.98,;-.29,-.77,;-.29,.77,;-1.63,1.54,;-1.63,3.08,;-1.63,-1.54,)|
CN(C)[C@H]1CCCC[C@H]1NC(=O)c1sc2cccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:8.9,3.2,(7.67,-5.75,;6.9,-4.41,;5.36,-4.41,;7.67,-3.08,;9.21,-3.08,;9.98,-1.75,;9.21,-.41,;7.67,-.41,;6.9,-1.75,;5.36,-1.75,;4.59,-.41,;5.36,.92,;3.05,-.41,;2.15,-1.66,;.68,-1.18,;-.65,-1.95,;-1.98,-1.18,;-1.98,.36,;-.65,1.13,;-.65,2.67,;-1.98,3.44,;-3.32,2.67,;-4.65,3.44,;-4.65,4.98,;-5.98,5.75,;-7.32,4.98,;-8.65,5.75,;-9.98,4.98,;-9.98,3.44,;-8.65,2.67,;-7.32,3.44,;-3.32,5.75,;-1.98,4.98,;-.65,5.75,;.68,3.44,;.68,4.98,;2.02,2.67,;2.02,1.13,;.68,.36,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CC[C@H](O)CC4)c([nH]c1=O)c23 |r,wU:25.26,wD:28.30,(-3.91,-.66,;-3.91,.88,;-5.24,1.65,;-5.24,3.19,;-6.58,3.96,;-7.91,3.19,;-9.24,3.96,;-10.58,3.19,;-10.58,1.65,;-9.24,.88,;-7.91,1.65,;-3.91,3.96,;-2.58,3.19,;-2.58,1.65,;-1.24,.88,;-1.24,-.66,;-2.52,-1.98,;-2.2,-3.49,;-.73,-3.96,;.41,-2.93,;1.94,-3.09,;2.57,-1.69,;4.08,-1.37,;5.11,-2.51,;4.55,.1,;6.06,.42,;6.53,1.88,;8.04,2.2,;9.07,1.06,;10.58,1.38,;8.6,-.41,;7.09,-.73,;1.43,-.66,;1.43,.88,;.09,1.65,;.09,3.19,;.09,-1.43,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@H](O)CC4)c([nH]c1=O)c23 |r,wU:25.26,28.30,(-3.91,-.66,;-3.91,.88,;-5.24,1.65,;-5.24,3.19,;-6.58,3.96,;-7.91,3.19,;-9.24,3.96,;-10.58,3.19,;-10.58,1.65,;-9.24,.88,;-7.91,1.65,;-3.91,3.96,;-2.58,3.19,;-2.58,1.65,;-1.24,.88,;-1.24,-.66,;-2.52,-1.98,;-2.2,-3.49,;-.73,-3.96,;.41,-2.93,;1.94,-3.09,;2.57,-1.69,;4.08,-1.37,;5.11,-2.51,;4.55,.1,;6.06,.42,;7.09,-.73,;8.6,-.41,;9.07,1.06,;10.58,1.38,;8.04,2.2,;6.53,1.88,;1.43,-.66,;1.43,.88,;.09,1.65,;.09,3.19,;.09,-1.43,)|
CN(C)[C@H]1CCC[C@H]1NC(=O)c1sc2cccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.8,3.2,(8.72,2.88,;7.69,1.73,;6.18,2.05,;8.16,.27,;9.63,-.21,;9.63,-1.75,;8.16,-2.22,;7.26,-.98,;5.72,-.98,;4.95,-2.31,;5.72,-3.64,;3.41,-2.31,;2.5,-3.56,;1.04,-3.08,;-.29,-3.85,;-1.63,-3.08,;-1.63,-1.54,;-.29,-.77,;-.29,.77,;-1.63,1.54,;-2.96,.77,;-4.29,1.54,;-4.29,3.08,;-5.63,3.85,;-6.96,3.08,;-8.3,3.85,;-9.63,3.08,;-9.63,1.54,;-8.3,.77,;-6.96,1.54,;-2.96,3.85,;-1.63,3.08,;-.29,3.85,;1.04,1.54,;1.04,3.08,;2.37,.77,;2.37,-.77,;1.04,-1.54,)|
CO[C@H]1CC[C@@H](CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.8,wD:2.1,(11.01,.56,;10.24,-.77,;8.7,-.77,;7.93,.56,;6.39,.56,;5.62,-.77,;6.39,-2.1,;7.93,-2.1,;4.08,-.77,;3.31,-2.1,;4.08,-3.44,;1.77,-2.1,;1,-3.85,;-.34,-3.08,;-1.67,-3.85,;-3,-3.08,;-3,-1.54,;-1.67,-.77,;-1.67,.77,;-3,1.54,;-4.34,.77,;-5.67,1.54,;-5.67,3.08,;-7.01,3.85,;-8.34,3.08,;-9.67,3.85,;-11.01,3.08,;-11.01,1.54,;-9.67,.77,;-8.34,1.54,;-4.34,3.85,;-3,3.08,;-1.67,3.85,;-.34,1.54,;-.34,3.08,;1,.77,;1,-.77,;-.34,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@@H](CC4)NC(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:25.26,28.33,(-4.26,4.31,;-5.6,3.54,;-6.93,4.31,;-8.26,3.54,;-9.6,4.31,;-10.93,3.54,;-12.26,4.31,;-13.6,3.54,;-13.6,2,;-12.26,1.23,;-10.93,2,;-8.26,2,;-6.93,1.23,;-5.6,2,;-4.26,1.23,;-4.26,-.31,;-5.6,-1.08,;-5.6,-2.62,;-4.26,-3.39,;-2.93,-2.62,;-1.6,-3.39,;-.83,-1.64,;.71,-1.64,;1.48,-2.98,;1.48,-.31,;3.02,-.31,;3.79,-1.64,;5.33,-1.64,;6.1,-.31,;5.33,1.02,;3.79,1.02,;7.64,-.31,;8.41,-1.64,;7.64,-2.98,;9.95,-1.64,;10.72,-.31,;12.26,-.31,;13.6,-1.08,;13.6,.46,;10.72,-2.98,;11.49,-4.31,;-1.6,-.31,;-1.6,1.23,;-2.93,2,;-2.93,3.54,;-2.93,-1.08,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@@H]4O)c([nH]c1=O)c23 |r,wU:25.26,wD:29.32,(-.22,4.93,;-1.56,4.16,;-2.89,4.93,;-4.22,4.16,;-5.56,4.93,;-6.89,4.16,;-8.22,4.93,;-9.56,4.16,;-9.56,2.62,;-8.22,1.85,;-6.89,2.62,;-4.22,2.62,;-2.89,1.85,;-1.56,2.62,;-.22,1.85,;-.22,.31,;-1.56,-.46,;-1.56,-2,;-.22,-2.77,;1.11,-2,;2.45,-2.77,;3.22,-1.02,;4.76,-1.02,;5.53,.31,;5.53,-2.35,;7.19,-2.35,;8.09,-1.11,;9.56,-1.58,;9.56,-3.12,;8.09,-3.6,;7.32,-4.93,;2.45,.31,;2.45,1.85,;1.11,2.62,;1.11,4.16,;1.11,-.46,)|
CN[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:6.7,wD:2.1,(8.78,.8,;7.69,-.29,;8.09,-1.77,;9.56,-2.25,;9.56,-3.79,;8.09,-4.27,;7.19,-3.02,;5.53,-3.02,;4.76,-1.69,;5.53,-.35,;3.22,-1.69,;2.45,-3.43,;1.11,-2.66,;-.22,-3.43,;-1.56,-2.66,;-1.56,-1.12,;-.22,-.35,;-.22,1.19,;-1.56,1.96,;-2.89,1.19,;-4.22,1.96,;-4.22,3.5,;-5.56,4.27,;-6.89,3.5,;-8.22,4.27,;-9.56,3.5,;-9.56,1.96,;-8.22,1.19,;-6.89,1.96,;-2.89,4.27,;-1.56,3.5,;-.22,4.27,;1.11,1.96,;1.11,3.5,;2.45,1.19,;2.45,-.35,;1.11,-1.12,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H]4N)c([nH]c1=O)c23 |r,wU:29.32,wD:25.26,(-.22,4.93,;-1.56,4.16,;-2.89,4.93,;-4.22,4.16,;-5.56,4.93,;-6.89,4.16,;-8.22,4.93,;-9.56,4.16,;-9.56,2.62,;-8.22,1.85,;-6.89,2.62,;-4.22,2.62,;-2.89,1.85,;-1.56,2.62,;-.22,1.85,;-.22,.31,;-1.56,-.46,;-1.56,-2,;-.22,-2.77,;1.11,-2,;2.45,-2.77,;3.22,-1.02,;4.76,-1.02,;5.53,.31,;5.53,-2.35,;7.19,-2.35,;8.09,-1.11,;9.56,-1.58,;9.56,-3.12,;8.09,-3.6,;7.32,-4.93,;2.45,.31,;2.45,1.85,;1.11,2.62,;1.11,4.16,;1.11,-.46,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@@H](CC4)NC#N)c([nH]c1=O)c23 |r,wU:25.26,28.33,(-2.06,3.85,;-3.39,3.08,;-4.72,3.85,;-6.06,3.08,;-7.39,3.85,;-8.72,3.08,;-10.06,3.85,;-11.39,3.08,;-11.39,1.54,;-10.06,.77,;-8.72,1.54,;-6.06,1.54,;-4.72,.77,;-3.39,1.54,;-2.06,.77,;-2.06,-.77,;-3.39,-1.54,;-3.39,-3.08,;-2.06,-3.85,;-.72,-3.08,;.61,-3.85,;1.38,-2.1,;2.92,-2.1,;3.69,-3.44,;3.69,-.77,;5.23,-.77,;6,-2.1,;7.54,-2.1,;8.31,-.77,;7.54,.56,;6,.56,;9.85,-.77,;10.62,-2.1,;11.39,-3.44,;.61,-.77,;.61,.77,;-.72,1.54,;-.72,3.08,;-.72,-1.54,)|
CN(C)[C@H]1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:7.9,3.2,(8.31,-4.31,;9.08,-2.98,;10.62,-2.98,;8.31,-1.64,;9.08,-.31,;8.31,1.02,;6.77,1.02,;6,-.31,;6.77,-1.64,;4.46,-.31,;3.69,-1.64,;4.46,-2.98,;2.15,-1.64,;1.38,-3.39,;.05,-2.62,;-1.29,-3.39,;-2.62,-2.62,;-2.62,-1.08,;-1.29,-.31,;-1.29,1.23,;-2.62,2,;-3.95,1.23,;-5.29,2,;-5.29,3.54,;-6.62,4.31,;-7.95,3.54,;-9.29,4.31,;-10.62,3.54,;-10.62,2,;-9.29,1.23,;-7.95,2,;-3.95,4.31,;-2.62,3.54,;-1.29,4.31,;.05,2,;.05,3.54,;1.38,1.23,;1.38,-.31,;.05,-1.08,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@H](N)CC4)c([nH]c1=O)c23 |r,wU:25.26,28.30,(-1.29,3.85,;-2.62,3.08,;-3.95,3.85,;-5.29,3.08,;-6.62,3.85,;-7.95,3.08,;-9.29,3.85,;-10.62,3.08,;-10.62,1.54,;-9.29,.77,;-7.95,1.54,;-5.29,1.54,;-3.95,.77,;-2.62,1.54,;-1.29,.77,;-1.29,-.77,;-2.62,-1.54,;-2.62,-3.08,;-1.29,-3.85,;.05,-3.08,;1.38,-3.85,;2.15,-2.1,;3.69,-2.1,;4.46,-3.44,;4.46,-.77,;6,-.77,;6.77,-2.1,;8.31,-2.1,;9.08,-.77,;10.62,-.77,;8.31,.56,;6.77,.56,;1.38,-.77,;1.38,.77,;.05,1.54,;.05,3.08,;.05,-1.54,)|
CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:9.10,wD:5.4,(10.4,1.49,;9.31,.4,;7.82,.8,;7.42,2.29,;6.73,-.29,;7.13,-1.77,;8.6,-2.25,;8.6,-3.79,;7.13,-4.27,;6.23,-3.02,;4.69,-3.02,;3.92,-1.69,;4.69,-.35,;2.38,-1.69,;1.61,-3.43,;.27,-2.66,;-1.06,-3.43,;-2.4,-2.66,;-2.4,-1.12,;-1.06,-.35,;-1.06,1.19,;-2.4,1.96,;-3.73,1.19,;-5.06,1.96,;-5.06,3.5,;-6.4,4.27,;-7.73,3.5,;-9.06,4.27,;-10.4,3.5,;-10.4,1.96,;-9.06,1.19,;-7.73,1.96,;-3.73,4.27,;-2.4,3.5,;-1.06,4.27,;.27,1.96,;.27,3.5,;1.61,1.19,;1.61,-.35,;.27,-1.12,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4O)c([nH]c1=O)c23 |r,wD:25.26,30.33,(-.52,4.98,;-1.85,4.21,;-3.18,4.98,;-4.52,4.21,;-5.85,4.98,;-7.18,4.21,;-8.52,4.98,;-9.85,4.21,;-9.85,2.67,;-8.52,1.9,;-7.18,2.67,;-4.52,2.67,;-3.18,1.9,;-1.85,2.67,;-.52,1.9,;-.52,.36,;-1.85,-.41,;-1.85,-1.95,;-.52,-2.72,;.82,-1.95,;2.15,-2.72,;2.92,-.98,;4.46,-.98,;5.23,.36,;5.23,-2.31,;6.77,-2.31,;7.54,-.98,;9.08,-.98,;9.85,-2.31,;9.08,-3.64,;7.54,-3.64,;6.77,-4.98,;2.15,.36,;2.15,1.9,;.82,2.67,;.82,4.21,;.82,-.41,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCC4)c([nH]c1=O)c23 |(-.16,3.85,;-1.49,3.08,;-2.83,3.85,;-4.16,3.08,;-5.5,3.85,;-6.83,3.08,;-8.16,3.85,;-9.5,3.08,;-9.5,1.54,;-8.16,.77,;-6.83,1.54,;-4.16,1.54,;-2.83,.77,;-1.49,1.54,;-.16,.77,;-.16,-.77,;-1.49,-1.54,;-1.49,-3.08,;-.16,-3.85,;1.17,-3.08,;2.51,-3.85,;3.28,-2.1,;4.82,-2.1,;5.59,-3.44,;5.59,-.77,;7.13,-.77,;8.03,-2.02,;9.5,-1.54,;9.5,,;8.03,.48,;2.51,-.77,;2.51,.77,;1.17,1.54,;1.17,3.08,;1.17,-1.54,)|
CN(C)[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.8,wD:3.2,(8.72,.8,;7.63,-.29,;6.15,.11,;8.03,-1.77,;9.5,-2.25,;9.5,-3.79,;8.03,-4.27,;7.13,-3.02,;5.59,-3.02,;4.82,-1.69,;5.59,-.35,;3.28,-1.69,;2.51,-3.43,;1.17,-2.66,;-.16,-3.43,;-1.49,-2.66,;-1.49,-1.12,;-.16,-.35,;-.16,1.19,;-1.49,1.96,;-2.83,1.19,;-4.16,1.96,;-4.16,3.5,;-5.5,4.27,;-6.83,3.5,;-8.16,4.27,;-9.5,3.5,;-9.5,1.96,;-8.16,1.19,;-6.83,1.96,;-2.83,4.27,;-1.49,3.5,;-.16,4.27,;1.17,1.96,;1.17,3.5,;2.51,1.19,;2.51,-.35,;1.17,-1.12,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@]45C[C@H]6C[C@H](C[C@](O)(C6)C4)C5)c([nH]c1=O)c23 |r,wD:25.26,27.35,29.38,31.33,TLB:33:31:35:26.27.28,33:27:35:31.30.34,THB:32:31:26:35.29.28,32:31:35:26.27.28,(-.97,3.85,;-2.31,3.08,;-3.64,3.85,;-4.97,3.08,;-6.31,3.85,;-7.64,3.08,;-8.98,3.85,;-10.31,3.08,;-10.31,1.54,;-8.98,.77,;-7.64,1.54,;-4.97,1.54,;-3.64,.77,;-2.31,1.54,;-.97,.77,;-.97,-.77,;-2.31,-1.54,;-2.31,-3.08,;-.97,-3.85,;.36,-3.08,;1.69,-3.85,;2.46,-2.1,;4,-2.1,;4.77,-3.44,;4.77,-.77,;6.31,-.77,;6.31,.77,;7.65,1.54,;6.89,.37,;6.88,-2.03,;8.08,-2.7,;8.98,-.77,;10.31,-1.54,;8.98,.77,;7.65,-1.54,;5.48,-2.67,;1.69,-.77,;1.69,.77,;.36,1.54,;.36,3.08,;.36,-1.54,)|
CNC1CCCCC1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(7.6,-5.64,;6.83,-4.31,;7.6,-2.98,;9.14,-2.98,;9.91,-1.64,;9.14,-.31,;7.6,-.31,;6.83,-1.64,;5.17,-1.64,;4.4,-.31,;5.17,1.02,;2.86,-.31,;2.09,-2.06,;.76,-1.29,;-.58,-2.06,;-1.91,-1.29,;-1.91,.25,;-.58,1.02,;-.58,2.56,;-1.91,3.33,;-3.24,2.56,;-4.58,3.33,;-4.58,4.87,;-5.91,5.64,;-7.25,4.87,;-8.58,5.64,;-9.91,4.87,;-9.91,3.33,;-8.58,2.56,;-7.25,3.33,;-3.24,5.64,;-1.91,4.87,;-.58,5.64,;.76,3.33,;.76,4.87,;2.09,2.56,;2.09,1.02,;.76,.25,)|
CN(C)[C@H]1CCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:3.2,wD:7.8,(8.72,.8,;7.63,-.29,;6.15,.11,;8.03,-1.77,;9.5,-2.25,;9.5,-3.79,;8.03,-4.27,;7.13,-3.02,;5.59,-3.02,;4.82,-1.69,;5.59,-.35,;3.28,-1.69,;2.51,-3.43,;1.17,-2.66,;-.16,-3.43,;-1.49,-2.66,;-1.49,-1.12,;-.16,-.35,;-.16,1.19,;-1.49,1.96,;-2.83,1.19,;-4.16,1.96,;-4.16,3.5,;-5.5,4.27,;-6.83,3.5,;-8.16,4.27,;-9.5,3.5,;-9.5,1.96,;-8.16,1.19,;-6.83,1.96,;-2.83,4.27,;-1.49,3.5,;-.16,4.27,;1.17,1.96,;1.17,3.5,;2.51,1.19,;2.51,-.35,;1.17,-1.12,)|
CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:9.10,4.3,(6.77,-6.31,;7.54,-4.98,;9.08,-4.98,;6.77,-3.64,;7.54,-2.31,;9.08,-2.31,;9.85,-.98,;9.08,.36,;7.54,.36,;6.77,-.98,;5.23,-.98,;4.46,.36,;5.23,1.69,;2.92,.36,;2.15,-1.39,;.82,-.62,;-.52,-1.39,;-1.85,-.62,;-1.85,.92,;-.52,1.69,;-.52,3.23,;-1.85,4,;-3.18,3.23,;-4.52,4,;-4.52,5.54,;-5.85,6.31,;-7.18,5.54,;-8.52,6.31,;-9.85,5.54,;-9.85,4,;-8.52,3.23,;-7.18,4,;-3.18,6.31,;-1.85,5.54,;-.52,6.31,;.82,4,;.82,5.54,;2.15,3.23,;2.15,1.69,;.82,.92,)|
CCC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:9.10,5.4,(10.4,3.4,;9.31,2.31,;7.82,2.71,;7.42,4.19,;6.73,1.62,;7.13,.13,;8.6,-.34,;8.6,-1.88,;7.13,-2.36,;6.23,-1.11,;4.69,-1.11,;3.92,-2.45,;4.69,-3.78,;2.38,-2.45,;1.61,-4.19,;.27,-3.42,;-1.06,-4.19,;-2.4,-3.42,;-2.4,-1.88,;-1.06,-1.11,;-1.06,.43,;-2.4,1.2,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,3.5,;-7.73,2.74,;-9.06,3.5,;-10.4,2.74,;-10.4,1.2,;-9.06,.43,;-7.73,1.2,;-3.73,3.5,;-2.4,2.74,;-1.06,3.5,;.27,1.2,;.27,2.74,;1.61,.43,;1.61,-1.11,;.27,-1.88,)|
CCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:10.11,5.4,(7.54,-6.98,;6.77,-5.64,;7.54,-4.31,;9.08,-4.31,;6.77,-2.98,;7.54,-1.64,;9.08,-1.64,;9.85,-.31,;9.08,1.02,;7.54,1.02,;6.77,-.31,;5.23,-.31,;4.46,1.02,;5.23,2.36,;2.92,1.02,;2.15,-.72,;.82,.05,;-.52,-.72,;-1.85,.05,;-1.85,1.59,;-.52,2.36,;-.52,3.9,;-1.85,4.67,;-3.18,3.9,;-4.52,4.67,;-4.52,6.21,;-5.85,6.98,;-7.18,6.21,;-8.52,6.98,;-9.85,6.21,;-9.85,4.67,;-8.52,3.9,;-7.18,4.67,;-3.18,6.98,;-1.85,6.21,;-.52,6.98,;.82,4.67,;.82,6.21,;2.15,3.9,;2.15,2.36,;.82,1.59,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCC[C@@H]4O)c([nH]c1=O)c23 |r,wU:25.26,wD:30.33,(-.52,4.98,;-1.85,4.21,;-3.18,4.98,;-4.52,4.21,;-5.85,4.98,;-7.18,4.21,;-8.52,4.98,;-9.85,4.21,;-9.85,2.67,;-8.52,1.9,;-7.18,2.67,;-4.52,2.67,;-3.18,1.9,;-1.85,2.67,;-.52,1.9,;-.52,.36,;-1.85,-.41,;-1.85,-1.95,;-.52,-2.72,;.82,-1.95,;2.15,-2.72,;2.92,-.98,;4.46,-.98,;5.23,.36,;5.23,-2.31,;6.77,-2.31,;7.54,-.98,;9.08,-.98,;9.85,-2.31,;9.08,-3.64,;7.54,-3.64,;6.77,-4.98,;2.15,.36,;2.15,1.9,;.82,2.67,;.82,4.21,;.82,-.41,)|
CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:8.9,4.3,(9.85,2.31,;8.37,2.71,;7.97,4.19,;7.28,1.62,;7.68,.13,;9.14,-.34,;9.14,-1.88,;7.68,-2.36,;6.77,-1.11,;5.23,-1.11,;4.46,-2.45,;5.23,-3.78,;2.92,-2.45,;2.15,-4.19,;.82,-3.42,;-.52,-4.19,;-1.85,-3.42,;-1.85,-1.88,;-.52,-1.11,;-.52,.43,;-1.85,1.2,;-3.18,.43,;-4.52,1.2,;-4.52,2.74,;-5.85,3.51,;-7.19,2.74,;-8.52,3.51,;-9.85,2.74,;-9.85,1.2,;-8.52,.43,;-7.19,1.2,;-3.18,3.51,;-1.85,2.74,;-.52,3.51,;.82,1.2,;.82,2.74,;2.15,.43,;2.15,-1.11,;.82,-1.88,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@H]4N)c([nH]c1=O)c23 |r,wU:30.33,wD:25.26,(-.52,4.98,;-1.85,4.21,;-3.18,4.98,;-4.52,4.21,;-5.85,4.98,;-7.18,4.21,;-8.52,4.98,;-9.85,4.21,;-9.85,2.67,;-8.52,1.9,;-7.18,2.67,;-4.52,2.67,;-3.18,1.9,;-1.85,2.67,;-.52,1.9,;-.52,.36,;-1.85,-.41,;-1.85,-1.95,;-.52,-2.72,;.82,-1.95,;2.15,-2.72,;2.92,-.98,;4.46,-.98,;5.23,.36,;5.23,-2.31,;6.77,-2.31,;7.54,-.98,;9.08,-.98,;9.85,-2.31,;9.08,-3.64,;7.54,-3.64,;6.77,-4.98,;2.15,.36,;2.15,1.9,;.82,2.67,;.82,4.21,;.82,-.41,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@H]4O)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.16,4.93,;-1.49,4.16,;-2.83,4.93,;-4.16,4.16,;-5.5,4.93,;-6.83,4.16,;-8.16,4.93,;-9.5,4.16,;-9.5,2.62,;-8.16,1.85,;-6.83,2.62,;-4.16,2.62,;-2.83,1.85,;-1.49,2.62,;-.16,1.85,;-.16,.31,;-1.49,-.46,;-1.49,-2,;-.16,-2.77,;1.17,-2,;2.51,-2.77,;3.28,-1.02,;4.82,-1.02,;5.59,.31,;5.59,-2.35,;7.13,-2.35,;8.03,-1.11,;9.5,-1.58,;9.5,-3.12,;8.03,-3.6,;7.26,-4.93,;2.51,.31,;2.51,1.85,;1.17,2.62,;1.17,4.16,;1.17,-.46,)|
CC(=O)N[C@H]1CCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:4.3,wD:8.9,(9.85,.4,;8.37,.8,;7.97,2.29,;7.28,-.29,;7.68,-1.77,;9.14,-2.25,;9.14,-3.79,;7.68,-4.27,;6.77,-3.02,;5.23,-3.02,;4.46,-1.69,;5.23,-.35,;2.92,-1.69,;2.15,-3.43,;.82,-2.66,;-.52,-3.43,;-1.85,-2.66,;-1.85,-1.12,;-.52,-.35,;-.52,1.19,;-1.85,1.96,;-3.18,1.19,;-4.52,1.96,;-4.52,3.5,;-5.85,4.27,;-7.19,3.5,;-8.52,4.27,;-9.85,3.5,;-9.85,1.96,;-8.52,1.19,;-7.19,1.96,;-3.18,4.27,;-1.85,3.5,;-.52,4.27,;.82,1.96,;.82,3.5,;2.15,1.19,;2.15,-.35,;.82,-1.12,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@@H]4N)c([nH]c1=O)c23 |r,wU:25.26,wD:29.32,(-.16,4.93,;-1.49,4.16,;-2.83,4.93,;-4.16,4.16,;-5.5,4.93,;-6.83,4.16,;-8.16,4.93,;-9.5,4.16,;-9.5,2.62,;-8.16,1.85,;-6.83,2.62,;-4.16,2.62,;-2.83,1.85,;-1.49,2.62,;-.16,1.85,;-.16,.31,;-1.49,-.46,;-1.49,-2,;-.16,-2.77,;1.17,-2,;2.51,-2.77,;3.28,-1.02,;4.82,-1.02,;5.59,.31,;5.59,-2.35,;7.13,-2.35,;8.03,-1.11,;9.5,-1.58,;9.5,-3.12,;8.03,-3.6,;7.26,-4.93,;2.51,.31,;2.51,1.85,;1.17,2.62,;1.17,4.16,;1.17,-.46,)|
CCC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.11,5.4,(9.85,-6.31,;9.08,-4.98,;7.54,-4.98,;6.77,-6.31,;6.77,-3.64,;7.54,-2.31,;9.08,-2.31,;9.85,-.98,;9.08,.36,;7.54,.36,;6.77,-.98,;5.23,-.98,;4.46,.36,;5.23,1.69,;2.92,.36,;2.15,-1.39,;.82,-.62,;-.52,-1.39,;-1.85,-.62,;-1.85,.92,;-.52,1.69,;-.52,3.23,;-1.85,4,;-3.18,3.23,;-4.52,4,;-4.52,5.54,;-5.85,6.31,;-7.18,5.54,;-8.52,6.31,;-9.85,5.54,;-9.85,4,;-8.52,3.23,;-7.18,4,;-3.18,6.31,;-1.85,5.54,;-.52,6.31,;.82,4,;.82,5.54,;2.15,3.23,;2.15,1.69,;.82,.92,)|
CN(C)[C@@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:3.2,wD:8.9,(7.54,-5.64,;6.77,-4.31,;5.23,-4.31,;7.54,-2.98,;9.08,-2.98,;9.85,-1.64,;9.08,-.31,;7.54,-.31,;6.77,-1.64,;5.23,-1.64,;4.46,-.31,;5.23,1.02,;2.92,-.31,;2.15,-2.06,;.82,-1.29,;-.52,-2.06,;-1.85,-1.29,;-1.85,.25,;-.52,1.02,;-.52,2.56,;-1.85,3.33,;-3.18,2.56,;-4.52,3.33,;-4.52,4.87,;-5.85,5.64,;-7.18,4.87,;-8.52,5.64,;-9.85,4.87,;-9.85,3.33,;-8.52,2.56,;-7.18,3.33,;-3.18,5.64,;-1.85,4.87,;-.52,5.64,;.82,3.33,;.82,4.87,;2.15,2.56,;2.15,1.02,;.82,.25,)|
CC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:9.10,4.3,(6.77,-6.31,;7.54,-4.98,;9.08,-4.98,;6.77,-3.64,;7.54,-2.31,;9.08,-2.31,;9.85,-.98,;9.08,.36,;7.54,.36,;6.77,-.98,;5.23,-.98,;4.46,.36,;5.23,1.69,;2.92,.36,;2.15,-1.39,;.82,-.62,;-.52,-1.39,;-1.85,-.62,;-1.85,.92,;-.52,1.69,;-.52,3.23,;-1.85,4,;-3.18,3.23,;-4.52,4,;-4.52,5.54,;-5.85,6.31,;-7.18,5.54,;-8.52,6.31,;-9.85,5.54,;-9.85,4,;-8.52,3.23,;-7.18,4,;-3.18,6.31,;-1.85,5.54,;-.52,6.31,;.82,4,;.82,5.54,;2.15,3.23,;2.15,1.69,;.82,.92,)|
CCC(=O)N[C@H]1CCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.4,wD:9.10,(10.3,1.49,;9.21,.4,;7.72,.8,;7.32,2.29,;6.63,-.29,;7.03,-1.78,;8.49,-2.25,;8.49,-3.79,;7.03,-4.27,;6.12,-3.02,;4.58,-3.02,;3.81,-1.69,;4.58,-.35,;2.48,-1.69,;1.71,-3.43,;.37,-2.66,;-.96,-3.43,;-2.29,-2.66,;-2.29,-1.12,;-.96,-.35,;-.96,1.19,;-2.29,1.96,;-3.63,1.19,;-4.96,1.96,;-4.96,3.5,;-6.29,4.27,;-7.63,3.5,;-8.96,4.27,;-10.3,3.5,;-10.3,1.96,;-8.96,1.19,;-7.63,1.96,;-3.63,4.27,;-2.29,3.5,;-.96,4.27,;.37,1.96,;.37,3.5,;1.71,1.19,;1.71,-.35,;.37,-1.12,)|
CN[C@H]1CCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:2.1,wD:6.7,(8.72,.8,;7.63,-.29,;8.03,-1.77,;9.5,-2.25,;9.5,-3.79,;8.03,-4.27,;7.13,-3.02,;5.59,-3.02,;4.82,-1.69,;5.59,-.35,;3.28,-1.69,;2.51,-3.43,;1.17,-2.66,;-.16,-3.43,;-1.49,-2.66,;-1.49,-1.12,;-.16,-.35,;-.16,1.19,;-1.49,1.96,;-2.83,1.19,;-4.16,1.96,;-4.16,3.5,;-5.5,4.27,;-6.83,3.5,;-8.16,4.27,;-9.5,3.5,;-9.5,1.96,;-8.16,1.19,;-6.83,1.96,;-2.83,4.27,;-1.49,3.5,;-.16,4.27,;1.17,1.96,;1.17,3.5,;2.51,1.19,;2.51,-.35,;1.17,-1.12,)|
CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:4.3,wD:9.10,(4.46,-5.64,;5.23,-4.31,;4.46,-2.98,;6.77,-4.31,;7.54,-2.98,;9.08,-2.98,;9.85,-1.64,;9.08,-.31,;7.54,-.31,;6.77,-1.64,;5.23,-1.64,;4.46,-.31,;5.23,1.02,;2.92,-.31,;2.15,-2.06,;.82,-1.29,;-.52,-2.06,;-1.85,-1.29,;-1.85,.25,;-.52,1.02,;-.52,2.56,;-1.85,3.33,;-3.18,2.56,;-4.52,3.33,;-4.52,4.87,;-5.85,5.64,;-7.18,4.87,;-8.52,5.64,;-9.85,4.87,;-9.85,3.33,;-8.52,2.56,;-7.18,3.33,;-3.18,5.64,;-1.85,4.87,;-.52,5.64,;.82,3.33,;.82,4.87,;2.15,2.56,;2.15,1.02,;.82,.25,)|
CN(C)[C@@H]1CCCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:8.9,3.2,(7.57,-5.61,;6.8,-4.28,;5.26,-4.28,;7.57,-2.95,;9.11,-2.95,;9.88,-1.61,;9.11,-.28,;7.57,-.28,;6.8,-1.61,;5.26,-1.61,;4.49,-.28,;5.26,1.05,;2.95,-.28,;2.06,-1.95,;.79,-1.32,;-.54,-2.09,;-1.87,-1.32,;-1.87,.22,;-.54,.99,;-.54,2.53,;-1.87,3.3,;-3.21,2.53,;-4.54,3.3,;-4.54,4.84,;-5.88,5.61,;-7.21,4.84,;-8.54,5.61,;-9.88,4.84,;-9.88,3.3,;-8.54,2.53,;-7.21,3.3,;-3.21,5.61,;-1.87,4.84,;-.54,5.61,;.79,3.3,;.79,4.84,;2.13,2.53,;2.13,.99,;.79,.22,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCC[C@H]4N)c([nH]c1=O)c23 |r,wU:25.26,30.33,(-.79,5.11,;-1.87,4.02,;-3.21,4.79,;-4.54,4.02,;-5.88,4.79,;-7.21,4.02,;-8.54,4.79,;-9.88,4.02,;-9.88,2.48,;-8.54,1.71,;-7.21,2.48,;-4.54,2.48,;-3.21,1.71,;-1.87,2.48,;-.54,1.71,;-.54,.17,;-1.87,-.6,;-1.87,-2.14,;-.54,-2.91,;.79,-2.14,;2.06,-2.77,;2.95,-1.11,;4.49,-1.11,;5.26,.23,;5.26,-2.44,;6.8,-2.44,;7.57,-1.11,;9.11,-1.11,;9.88,-2.44,;9.11,-3.77,;7.57,-3.77,;6.8,-5.11,;2.13,.17,;2.13,1.71,;.79,2.48,;.79,4.02,;.79,-.6,)|
CN[C@@H]1CCCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.8,2.1,(7.57,-5.61,;6.8,-4.28,;7.57,-2.95,;9.11,-2.95,;9.88,-1.61,;9.11,-.28,;7.57,-.28,;6.8,-1.61,;5.26,-1.61,;4.49,-.28,;5.26,1.05,;2.95,-.28,;2.06,-1.95,;.79,-1.32,;-.54,-2.09,;-1.87,-1.32,;-1.87,.22,;-.54,.99,;-.54,2.53,;-1.87,3.3,;-3.21,2.53,;-4.54,3.3,;-4.54,4.84,;-5.88,5.61,;-7.21,4.84,;-8.54,5.61,;-9.88,4.84,;-9.88,3.3,;-8.54,2.53,;-7.21,3.3,;-3.21,5.61,;-1.87,4.84,;-.54,5.61,;.79,3.3,;.79,4.84,;2.13,2.53,;2.13,.99,;.79,.22,)|
CN(C)[C@@H]1CCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:7.8,3.2,(8.61,3.14,;7.58,2,;6.07,2.32,;8.06,.54,;9.52,.06,;9.52,-1.48,;8.06,-1.96,;7.15,-.71,;5.61,-.71,;4.84,-2.04,;5.61,-3.38,;3.3,-2.04,;2.41,-3.71,;1.15,-3.08,;-.19,-3.85,;-1.52,-3.08,;-1.52,-1.54,;-.19,-.77,;-.19,.77,;-1.52,1.54,;-2.85,.77,;-4.19,1.54,;-4.19,3.08,;-5.52,3.85,;-6.85,3.08,;-8.19,3.85,;-9.52,3.08,;-9.52,1.54,;-8.19,.77,;-6.85,1.54,;-2.85,3.85,;-1.52,3.08,;-.19,3.85,;1.15,1.54,;1.15,3.08,;2.48,.77,;2.48,-.77,;1.15,-1.54,)|
CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.4,wD:10.11,(5.26,-6.28,;4.49,-4.95,;5.26,-3.61,;4.49,-2.28,;6.8,-3.61,;7.57,-2.28,;9.11,-2.28,;9.88,-.95,;9.11,.39,;7.57,.39,;6.8,-.95,;5.26,-.95,;4.49,.39,;5.26,1.72,;2.95,.39,;2.06,-1.28,;.79,-.65,;-.54,-1.42,;-1.87,-.65,;-1.87,.89,;-.54,1.66,;-.54,3.2,;-1.87,3.97,;-3.21,3.2,;-4.54,3.97,;-4.54,5.51,;-5.88,6.28,;-7.21,5.51,;-8.54,6.28,;-9.88,5.51,;-9.88,3.97,;-8.54,3.2,;-7.21,3.97,;-3.21,6.28,;-1.87,5.51,;-.54,6.28,;.79,3.97,;.79,5.51,;2.13,3.2,;2.13,1.66,;.79,.89,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@H]4N)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-.19,3.85,;-1.52,3.08,;-2.85,3.85,;-4.19,3.08,;-5.52,3.85,;-6.85,3.08,;-8.19,3.85,;-9.52,3.08,;-9.52,1.54,;-8.19,.77,;-6.85,1.54,;-4.19,1.54,;-2.85,.77,;-1.52,1.54,;-.19,.77,;-.19,-.77,;-1.52,-1.54,;-1.52,-3.08,;-.19,-3.85,;1.15,-3.08,;2.41,-3.71,;3.3,-2.04,;4.84,-2.04,;5.61,-3.38,;5.61,-.71,;7.15,-.71,;8.06,-1.96,;9.52,-1.48,;9.52,.06,;8.06,.54,;7.58,2,;2.48,-.77,;2.48,.77,;1.15,1.54,;1.15,3.08,;1.15,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCC[C@@H]4NC=O)c([nH]c1=O)c23 |r,wD:30.33,(-.61,4.66,;-1.94,3.89,;-3.28,4.66,;-4.61,3.89,;-5.94,4.66,;-7.28,3.89,;-8.61,4.66,;-9.94,3.89,;-9.94,2.35,;-8.61,1.58,;-7.28,2.35,;-4.61,2.35,;-3.28,1.58,;-1.94,2.35,;-.61,1.58,;-.61,.04,;-1.94,-.73,;-1.94,-2.27,;-.61,-3.04,;.73,-2.27,;2.06,-2.62,;2.88,-1.24,;4.42,-1.24,;5.19,-2.57,;5.19,.1,;6.68,.5,;7.08,1.98,;8.56,2.38,;9.65,1.29,;9.25,-.19,;7.77,-.59,;7.37,-2.08,;8.46,-3.17,;8.06,-4.66,;2.06,.04,;2.06,1.58,;.73,2.35,;.73,3.89,;.73,-.73,)|
CC(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:4.3,wD:9.10,(9.11,2.9,;7.57,2.9,;6.8,4.24,;6.8,1.57,;7.57,.24,;9.11,.24,;9.88,-1.1,;9.11,-2.43,;7.57,-2.43,;6.8,-1.1,;5.26,-1.1,;4.49,-2.43,;5.26,-3.76,;2.95,-2.43,;2.06,-4.1,;.79,-3.47,;-.54,-4.24,;-1.87,-3.47,;-1.87,-1.93,;-.54,-1.16,;-.54,.38,;-1.87,1.15,;-3.21,.38,;-4.54,1.15,;-4.54,2.69,;-5.88,3.46,;-7.21,2.69,;-8.54,3.46,;-9.88,2.69,;-9.88,1.15,;-8.54,.38,;-7.21,1.15,;-3.21,3.46,;-1.87,2.69,;-.54,3.46,;.79,1.15,;.79,2.69,;2.13,.38,;2.13,-1.16,;.79,-1.93,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,wD:29.32,(-.48,5.51,;-1.82,4.74,;-3.15,5.51,;-4.48,4.74,;-5.82,5.51,;-7.15,4.74,;-8.49,5.51,;-9.82,4.74,;-9.82,3.2,;-8.49,2.43,;-7.15,3.2,;-4.48,3.2,;-3.15,2.43,;-1.82,3.2,;-.48,2.43,;-.48,.89,;-1.82,.12,;-1.82,-1.42,;-.48,-2.19,;.85,-1.42,;2.12,-2.05,;3,-.38,;4.54,-.38,;5.31,-1.72,;5.31,.95,;6.85,.95,;7.76,2.2,;9.22,1.72,;9.22,.18,;7.76,-.29,;7.28,-1.76,;8.31,-2.9,;9.82,-2.58,;7.84,-4.37,;8.87,-5.51,;2.18,.89,;2.18,2.43,;.85,3.2,;.85,4.74,;.85,.12,)|
CC(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:8.9,4.3,(9.82,2.44,;8.31,2.77,;7.84,4.23,;7.28,1.62,;7.76,.16,;9.22,-.32,;9.22,-1.86,;7.76,-2.34,;6.85,-1.09,;5.31,-1.09,;4.54,-2.42,;5.31,-3.76,;3,-2.42,;2.12,-4.09,;.85,-3.46,;-.48,-4.23,;-1.82,-3.46,;-1.82,-1.92,;-.48,-1.15,;-.48,.39,;-1.82,1.16,;-3.15,.39,;-4.48,1.16,;-4.48,2.7,;-5.82,3.47,;-7.15,2.7,;-8.49,3.47,;-9.82,2.7,;-9.82,1.16,;-8.49,.39,;-7.15,1.16,;-3.15,3.47,;-1.82,2.7,;-.48,3.47,;.85,1.16,;.85,2.7,;2.18,.39,;2.18,-1.15,;.85,-1.92,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCC[C@@H]4N)c([nH]c1=O)c23 |r,wU:30.33,wD:25.26,(-.54,3.85,;-1.87,3.08,;-3.21,3.85,;-4.54,3.08,;-5.88,3.85,;-7.21,3.08,;-8.54,3.85,;-9.88,3.08,;-9.88,1.54,;-8.54,.77,;-7.21,1.54,;-4.54,1.54,;-3.21,.77,;-1.87,1.54,;-.54,.77,;-.54,-.77,;-1.87,-1.54,;-1.87,-3.08,;-.54,-3.85,;.79,-3.08,;2.06,-3.71,;2.95,-2.04,;4.49,-2.04,;5.26,-3.38,;5.26,-.71,;6.8,-.71,;7.57,-2.04,;9.11,-2.04,;9.88,-.71,;9.11,.62,;7.57,.62,;6.8,1.96,;2.13,-.77,;2.13,.77,;.79,1.54,;.79,3.08,;.79,-1.54,)|
CCC(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:9.10,5.4,(10.33,3.59,;9.3,2.44,;7.8,2.77,;7.32,4.23,;6.77,1.62,;7.24,.16,;8.71,-.32,;8.71,-1.86,;7.24,-2.34,;6.34,-1.09,;4.8,-1.09,;4.03,-2.42,;4.8,-3.76,;2.49,-2.42,;1.6,-4.09,;.33,-3.46,;-1,-4.23,;-2.33,-3.46,;-2.33,-1.92,;-1,-1.15,;-1,.39,;-2.33,1.16,;-3.67,.39,;-5,1.16,;-5,2.7,;-6.33,3.47,;-7.67,2.7,;-9,3.47,;-10.33,2.7,;-10.33,1.16,;-9,.39,;-7.67,1.16,;-3.67,3.47,;-2.33,2.7,;-1,3.47,;.33,1.16,;.33,2.7,;1.67,.39,;1.67,-1.15,;.33,-1.92,)|
CCC(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.4,wD:10.11,(9.88,1.57,;9.11,2.9,;7.57,2.9,;6.8,4.24,;6.8,1.57,;7.57,.24,;9.11,.24,;9.88,-1.1,;9.11,-2.43,;7.57,-2.43,;6.8,-1.1,;5.26,-1.1,;4.49,-2.43,;5.26,-3.76,;2.95,-2.43,;2.06,-4.1,;.79,-3.47,;-.54,-4.24,;-1.87,-3.47,;-1.87,-1.93,;-.54,-1.16,;-.54,.38,;-1.87,1.15,;-3.21,.38,;-4.54,1.15,;-4.54,2.69,;-5.88,3.46,;-7.21,2.69,;-8.54,3.46,;-9.88,2.69,;-9.88,1.15,;-8.54,.38,;-7.21,1.15,;-3.21,3.46,;-1.87,2.69,;-.54,3.46,;.79,1.15,;.79,2.69,;2.13,.38,;2.13,-1.16,;.79,-1.93,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H]4O)c([nH]c1=O)c23 |r,wU:25.26,wD:29.32,(-.19,3.85,;-1.52,3.08,;-2.85,3.85,;-4.19,3.08,;-5.52,3.85,;-6.85,3.08,;-8.19,3.85,;-9.52,3.08,;-9.52,1.54,;-8.19,.77,;-6.85,1.54,;-4.19,1.54,;-2.85,.77,;-1.52,1.54,;-.19,.77,;-.19,-.77,;-1.52,-1.54,;-1.52,-3.08,;-.19,-3.85,;1.15,-3.08,;2.41,-3.71,;3.3,-2.04,;4.84,-2.04,;5.61,-3.38,;5.61,-.71,;7.15,-.71,;8.06,-1.96,;9.52,-1.48,;9.52,.06,;8.06,.54,;7.58,2,;2.48,-.77,;2.48,.77,;1.15,1.54,;1.15,3.08,;1.15,-1.54,)|
CN(C)[C@H]1CCCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:3.2,wD:8.9,(7.57,3.29,;6.8,1.96,;5.26,1.96,;7.57,.62,;9.11,.62,;9.88,-.71,;9.11,-2.04,;7.57,-2.04,;6.8,-.71,;5.26,-.71,;4.49,-2.04,;5.26,-3.38,;2.95,-2.04,;2.06,-3.71,;.79,-3.08,;-.54,-3.85,;-1.87,-3.08,;-1.87,-1.54,;-.54,-.77,;-.54,.77,;-1.87,1.54,;-3.21,.77,;-4.54,1.54,;-4.54,3.08,;-5.88,3.85,;-7.21,3.08,;-8.54,3.85,;-9.88,3.08,;-9.88,1.54,;-8.54,.77,;-7.21,1.54,;-3.21,3.85,;-1.87,3.08,;-.54,3.85,;.79,1.54,;.79,3.08,;2.13,.77,;2.13,-.77,;.79,-1.54,)|
CNC1CCC(CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(11.08,.53,;10.31,-.81,;8.77,-.81,;8,-2.14,;6.46,-2.14,;5.69,-.81,;6.46,.53,;8,.53,;4.15,-.81,;3.38,-2.14,;4.15,-3.47,;1.84,-2.14,;1.06,-3.56,;-.41,-3.08,;-1.74,-3.85,;-3.08,-3.08,;-3.08,-1.54,;-1.74,-.77,;-1.74,.77,;-3.08,1.54,;-4.41,.77,;-5.74,1.54,;-5.74,3.08,;-7.08,3.85,;-8.41,3.08,;-9.74,3.85,;-11.08,3.08,;-11.08,1.54,;-9.74,.77,;-8.41,1.54,;-4.41,3.85,;-3.08,3.08,;-1.74,3.85,;-.41,1.54,;-.41,3.08,;.92,.77,;.92,-.77,;-.41,-1.54,)|
CC(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.10,4.3,(11.85,.53,;10.31,.53,;9.54,1.86,;9.54,-.81,;8,-.81,;7.23,-2.14,;5.69,-2.14,;4.92,-.81,;5.69,.53,;7.23,.53,;3.38,-.81,;2.61,-2.14,;3.38,-3.48,;1.07,-2.14,;.29,-3.56,;-1.18,-3.08,;-2.51,-3.85,;-3.85,-3.08,;-3.85,-1.54,;-2.51,-.77,;-2.51,.77,;-3.85,1.54,;-5.18,.77,;-6.51,1.54,;-6.51,3.08,;-7.85,3.85,;-9.18,3.08,;-10.52,3.85,;-11.85,3.08,;-11.85,1.54,;-10.52,.77,;-9.18,1.54,;-5.18,3.85,;-3.85,3.08,;-2.51,3.85,;-1.18,1.54,;-1.18,3.08,;.15,.77,;.15,-.77,;-1.18,-1.54,)|
CCC(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:8.11,5.4,(12.23,-.81,;11.46,-2.14,;9.92,-2.14,;9.15,-3.48,;9.15,-.81,;7.61,-.81,;6.84,-2.14,;5.3,-2.14,;4.53,-.81,;5.3,.53,;6.84,.53,;2.99,-.81,;2.22,-2.14,;2.99,-3.48,;.68,-2.14,;-.1,-3.56,;-1.56,-3.08,;-2.9,-3.85,;-4.23,-3.08,;-4.23,-1.54,;-2.9,-.77,;-2.9,.77,;-4.23,1.54,;-5.57,.77,;-6.9,1.54,;-6.9,3.08,;-8.23,3.85,;-9.57,3.08,;-10.9,3.85,;-12.23,3.08,;-12.23,1.54,;-10.9,.77,;-9.57,1.54,;-5.57,3.85,;-4.23,3.08,;-2.9,3.85,;-1.56,1.54,;-1.56,3.08,;-.23,.77,;-.23,-.77,;-1.56,-1.54,)|
CN(C)[C@@H]1CC[C@@H](CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:6.9,3.2,(11.08,.53,;10.31,-.81,;11.08,-2.14,;8.77,-.81,;8,.53,;6.46,.53,;5.69,-.81,;6.46,-2.14,;8,-2.14,;4.15,-.81,;3.38,-2.14,;4.15,-3.47,;1.84,-2.14,;1.06,-3.56,;-.41,-3.08,;-1.74,-3.85,;-3.08,-3.08,;-3.08,-1.54,;-1.74,-.77,;-1.74,.77,;-3.08,1.54,;-4.41,.77,;-5.74,1.54,;-5.74,3.08,;-7.08,3.85,;-8.41,3.08,;-9.74,3.85,;-11.08,3.08,;-11.08,1.54,;-9.74,.77,;-8.41,1.54,;-4.41,3.85,;-3.08,3.08,;-1.74,3.85,;-.41,1.54,;-.41,3.08,;.92,.77,;.92,-.77,;-.41,-1.54,)|
CC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:8.9,wD:4.3,(5.15,4.24,;5.74,2.82,;4.81,1.6,;7.27,2.62,;7.89,1.22,;9.4,.89,;9.56,-.64,;8.15,-1.26,;7.12,-.12,;5.6,-.38,;5.07,-1.83,;6.06,-3.01,;3.56,-2.09,;2.88,-3.47,;1.35,-3.26,;.17,-4.24,;-1.27,-3.71,;-1.54,-2.2,;-.36,-1.21,;-.22,.49,;-1.56,1.26,;-2.89,.49,;-4.22,1.26,;-4.22,2.8,;-5.56,3.57,;-6.89,2.8,;-8.22,3.57,;-9.56,2.8,;-9.56,1.26,;-8.22,.49,;-6.89,1.26,;-2.89,3.57,;-1.56,2.8,;-.22,3.57,;1.11,1.26,;1.11,2.8,;2.44,.49,;2.45,-1.02,;1.09,-1.74,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CC[C@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,28.32,(-2.8,3.91,;-4.13,3.14,;-5.46,3.91,;-6.8,3.14,;-8.13,3.91,;-9.46,3.14,;-10.8,3.91,;-12.13,3.14,;-12.13,1.6,;-10.8,.83,;-9.46,1.6,;-6.8,1.6,;-5.46,.83,;-4.13,1.6,;-2.8,.83,;-2.93,-.87,;-4.11,-1.86,;-3.85,-3.38,;-2.4,-3.91,;-1.22,-2.92,;.31,-3.14,;.98,-1.75,;2.5,-1.49,;3.49,-2.67,;3.03,-.04,;4.55,.22,;5.58,-.93,;6.98,-.3,;6.83,1.23,;5.32,1.55,;8.07,2.13,;9.48,1.5,;9.64,-.03,;10.73,2.41,;12.13,1.78,;-.12,-.68,;-.13,.83,;-1.46,1.6,;-1.46,3.14,;-1.48,-1.4,)|
CCC(=O)N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:8.10,5.4,(12.24,-1.58,;10.9,-2.35,;9.57,-1.58,;9.57,-.04,;8.24,-2.35,;6.9,-1.58,;6.9,-.04,;5.44,.44,;4.53,-.81,;5.44,-2.05,;2.99,-.81,;2.22,-2.14,;2.99,-3.48,;.68,-2.14,;-.1,-3.56,;-1.57,-3.08,;-2.9,-3.85,;-4.23,-3.08,;-4.23,-1.54,;-2.9,-.77,;-2.9,.77,;-4.23,1.54,;-5.57,.77,;-6.9,1.54,;-6.9,3.08,;-8.24,3.85,;-9.57,3.08,;-10.9,3.85,;-12.24,3.08,;-12.24,1.54,;-10.9,.77,;-9.57,1.54,;-5.57,3.85,;-4.23,3.08,;-2.9,3.85,;-1.57,1.54,;-1.57,3.08,;-.23,.77,;-.23,-.77,;-1.57,-1.54,)|
CC(=O)N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:7.9,4.3,(11.43,2.41,;10.18,1.5,;10.34,-.03,;8.78,2.13,;7.53,1.23,;7.69,-.3,;6.28,-.93,;5.25,.22,;6.02,1.55,;3.73,-.04,;3.2,-1.49,;4.19,-2.67,;1.69,-1.75,;1.01,-3.14,;-.52,-2.92,;-1.7,-3.91,;-3.14,-3.38,;-3.41,-1.86,;-2.23,-.87,;-2.09,.83,;-3.43,1.6,;-4.76,.83,;-6.09,1.6,;-6.09,3.14,;-7.43,3.91,;-8.76,3.14,;-10.1,3.91,;-11.43,3.14,;-11.43,1.6,;-10.1,.83,;-8.76,1.6,;-4.76,3.91,;-3.43,3.14,;-2.09,3.91,;-.76,1.6,;-.76,3.14,;.57,.83,;.58,-.68,;-.78,-1.4,)|
CN(C)CC(=O)N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:10.12,7.6,(11.67,.25,;11.51,1.78,;12.76,2.68,;10.1,2.41,;8.86,1.5,;9.01,-.03,;7.45,2.13,;6.2,1.23,;6.36,-.3,;4.95,-.93,;3.92,.22,;4.7,1.55,;2.41,-.04,;1.88,-1.49,;2.86,-2.67,;.36,-1.75,;-.32,-3.14,;-1.84,-2.92,;-3.02,-3.91,;-4.47,-3.38,;-4.73,-1.86,;-3.55,-.87,;-3.42,.83,;-4.75,1.6,;-6.09,.83,;-7.42,1.6,;-7.42,3.14,;-8.75,3.91,;-10.09,3.14,;-11.42,3.91,;-12.76,3.14,;-12.76,1.6,;-11.42,.83,;-10.09,1.6,;-6.09,3.91,;-4.75,3.14,;-3.42,3.91,;-2.09,1.6,;-2.09,3.14,;-.75,.83,;-.75,-.68,;-2.11,-1.4,)|
CNCC(=O)N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:9.11,6.5,(12.76,2.68,;11.51,1.78,;10.1,2.41,;8.86,1.5,;9.01,-.03,;7.45,2.13,;6.2,1.23,;6.36,-.3,;4.95,-.93,;3.92,.22,;4.7,1.55,;2.41,-.04,;1.88,-1.49,;2.86,-2.67,;.36,-1.75,;-.32,-3.14,;-1.84,-2.92,;-3.02,-3.91,;-4.47,-3.38,;-4.73,-1.86,;-3.55,-.87,;-3.42,.83,;-4.75,1.6,;-6.09,.83,;-7.42,1.6,;-7.42,3.14,;-8.75,3.91,;-10.09,3.14,;-11.42,3.91,;-12.76,3.14,;-12.76,1.6,;-11.42,.83,;-10.09,1.6,;-6.09,3.91,;-4.75,3.14,;-3.42,3.91,;-2.09,1.6,;-2.09,3.14,;-.75,.83,;-.75,-.68,;-2.11,-1.4,)|
CN(C)[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:6.8,3.2,(10.81,1.5,;9.4,2.13,;9.24,3.66,;8.15,1.23,;8.31,-.3,;6.9,-.93,;5.87,.22,;6.65,1.55,;4.36,-.04,;3.83,-1.49,;4.81,-2.67,;2.31,-1.75,;1.63,-3.14,;.11,-2.92,;-1.07,-3.91,;-2.52,-3.38,;-2.78,-1.86,;-1.6,-.87,;-1.47,.83,;-2.8,1.6,;-4.14,.83,;-5.47,1.6,;-5.47,3.14,;-6.8,3.91,;-8.14,3.14,;-9.47,3.91,;-10.81,3.14,;-10.81,1.6,;-9.47,.83,;-8.14,1.6,;-4.14,3.91,;-2.8,3.14,;-1.47,3.91,;-.14,1.6,;-.14,3.14,;1.2,.83,;1.2,-.68,;-.16,-1.4,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CC[C@@H](O)C4)c([nH]c1=O)c23 |r,wU:25.26,28.30,(-.9,3.85,;-2.23,3.08,;-3.57,3.85,;-4.9,3.08,;-6.24,3.85,;-7.57,3.08,;-8.9,3.85,;-10.24,3.08,;-10.24,1.54,;-8.9,.77,;-7.57,1.54,;-4.9,1.54,;-3.57,.77,;-2.23,1.54,;-.9,.77,;-.9,-.77,;-2.23,-1.54,;-2.23,-3.08,;-.9,-3.85,;.43,-3.08,;1.9,-3.56,;2.68,-2.14,;4.22,-2.14,;4.99,-3.48,;4.99,-.81,;6.53,-.81,;7.44,.44,;8.9,-.04,;8.9,-1.58,;10.24,-2.35,;7.44,-2.05,;1.77,-.77,;1.77,.77,;.43,1.54,;.43,3.08,;.43,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CC[C@H](C4)NC(=O)CN)c([nH]c1=O)c23 |r,wD:25.26,28.32,(-2.8,3.91,;-4.13,3.14,;-5.46,3.91,;-6.8,3.14,;-8.13,3.91,;-9.46,3.14,;-10.8,3.91,;-12.13,3.14,;-12.13,1.6,;-10.8,.83,;-9.46,1.6,;-6.8,1.6,;-5.46,.83,;-4.13,1.6,;-2.8,.83,;-2.93,-.87,;-4.11,-1.86,;-3.85,-3.38,;-2.4,-3.91,;-1.22,-2.92,;.31,-3.14,;.98,-1.75,;2.5,-1.49,;3.49,-2.67,;3.03,-.04,;4.55,.22,;5.58,-.93,;6.98,-.3,;6.83,1.23,;5.32,1.55,;8.07,2.13,;9.48,1.5,;9.64,-.03,;10.73,2.41,;12.13,1.78,;-.12,-.68,;-.13,.83,;-1.46,1.6,;-1.46,3.14,;-1.48,-1.4,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CC[C@@H](N)C4)c([nH]c1=O)c23 |r,wU:25.26,28.30,(-.9,3.85,;-2.23,3.08,;-3.57,3.85,;-4.9,3.08,;-6.24,3.85,;-7.57,3.08,;-8.9,3.85,;-10.24,3.08,;-10.24,1.54,;-8.9,.77,;-7.57,1.54,;-4.9,1.54,;-3.57,.77,;-2.23,1.54,;-.9,.77,;-.9,-.77,;-2.23,-1.54,;-2.23,-3.08,;-.9,-3.85,;.43,-3.08,;1.9,-3.56,;2.68,-2.14,;4.22,-2.14,;4.99,-3.48,;4.99,-.81,;6.53,-.81,;7.44,.44,;8.9,-.04,;8.9,-1.58,;10.24,-2.35,;7.44,-2.05,;1.77,-.77,;1.77,.77,;.43,1.54,;.43,3.08,;.43,-1.54,)|
CN(C)C\C=C\C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:12.15,9.8,(11.85,4.19,;12.62,2.85,;14.16,2.85,;11.85,1.52,;10.31,1.52,;9.54,.19,;8,.19,;7.23,1.52,;7.23,-1.15,;5.69,-1.15,;4.92,-2.48,;3.38,-2.48,;2.61,-1.15,;3.38,.19,;4.92,.19,;1.07,-1.15,;.3,-2.48,;1.07,-3.81,;-1.24,-2.48,;-2.03,-3.89,;-3.49,-3.42,;-4.82,-4.19,;-6.16,-3.42,;-6.16,-1.88,;-4.82,-1.11,;-4.82,.43,;-6.16,1.2,;-7.49,.43,;-8.82,1.2,;-8.82,2.74,;-10.16,3.51,;-11.49,2.74,;-12.83,3.51,;-14.16,2.74,;-14.16,1.2,;-12.83,.43,;-11.49,1.2,;-7.49,3.51,;-6.16,2.74,;-4.82,3.51,;-3.49,1.2,;-3.49,2.74,;-2.16,.43,;-2.16,-1.11,;-3.49,-1.88,)|
CNC\C=C\C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.14,8.7,(14.22,3.02,;12.68,3.02,;11.91,1.69,;10.37,1.69,;9.6,.36,;8.06,.36,;7.29,1.69,;7.29,-.98,;5.75,-.98,;4.98,-2.31,;3.44,-2.31,;2.67,-.98,;3.44,.36,;4.98,.36,;1.13,-.98,;.36,-2.31,;1.13,-3.64,;-1.18,-2.31,;-2.09,-3.56,;-3.55,-3.08,;-4.88,-3.85,;-6.22,-3.08,;-6.22,-1.54,;-4.88,-.77,;-4.88,.77,;-6.22,1.54,;-7.55,.77,;-8.89,1.54,;-8.89,3.08,;-10.22,3.85,;-11.55,3.08,;-12.89,3.85,;-14.22,3.08,;-14.22,1.54,;-12.89,.77,;-11.55,1.54,;-7.55,3.85,;-6.22,3.08,;-4.88,3.85,;-3.55,1.54,;-3.55,3.08,;-2.22,.77,;-2.22,-.77,;-3.55,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@@H](CC4)NC(=O)\C=C\CN)c([nH]c1=O)c23 |r,wU:25.26,28.33,(-4.11,3.85,;-5.45,3.08,;-6.78,3.85,;-8.12,3.08,;-9.45,3.85,;-10.78,3.08,;-12.12,3.85,;-13.45,3.08,;-13.45,1.54,;-12.12,.77,;-10.78,1.54,;-8.12,1.54,;-6.78,.77,;-5.45,1.54,;-4.11,.77,;-4.11,-.77,;-5.45,-1.54,;-5.45,-3.08,;-4.11,-3.85,;-2.78,-3.08,;-1.32,-3.56,;-.41,-2.31,;1.13,-2.31,;1.9,-3.64,;1.9,-.98,;3.44,-.98,;4.21,-2.31,;5.75,-2.31,;6.52,-.98,;5.75,.36,;4.21,.36,;8.06,-.98,;8.83,.36,;8.06,1.69,;10.37,.36,;11.14,1.69,;12.68,1.69,;13.45,3.02,;-1.45,-.77,;-1.45,.77,;-2.78,1.54,;-2.78,3.08,;-2.78,-1.54,)|
CNC1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(10.96,-1.39,;9.63,-2.16,;8.3,-1.39,;8.3,.15,;6.83,.63,;5.93,-.62,;6.83,-1.86,;4.39,-.62,;3.62,-1.95,;4.39,-3.28,;2.08,-1.95,;1.17,-3.56,;-.29,-3.08,;-1.63,-3.85,;-2.96,-3.08,;-2.96,-1.54,;-1.63,-.77,;-1.63,.77,;-2.96,1.54,;-4.29,.77,;-5.63,1.54,;-5.63,3.08,;-6.96,3.85,;-8.3,3.08,;-9.63,3.85,;-10.96,3.08,;-10.96,1.54,;-9.63,.77,;-8.3,1.54,;-4.29,3.85,;-2.96,3.08,;-1.63,3.85,;-.29,1.54,;-.29,3.08,;1.04,.77,;1.04,-.77,;-.29,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCC4)c([nH]c1=O)c23 |(-.29,3.85,;-1.63,3.08,;-2.96,3.85,;-4.29,3.08,;-5.63,3.85,;-6.96,3.08,;-8.3,3.85,;-9.63,3.08,;-9.63,1.54,;-8.3,.77,;-6.96,1.54,;-4.29,1.54,;-2.96,.77,;-1.63,1.54,;-.29,.77,;-.29,-.77,;-1.63,-1.54,;-1.63,-3.08,;-.29,-3.85,;1.04,-3.08,;2.5,-3.56,;3.41,-1.95,;4.95,-1.95,;5.72,-3.28,;5.72,-.62,;7.26,-.62,;8.16,.63,;9.63,.15,;9.63,-1.39,;8.16,-1.86,;2.37,-.77,;2.37,.77,;1.04,1.54,;1.04,3.08,;1.04,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@H](O)CC4)c([nH]c1=O)c23 |r,wD:25.26,28.30,(-1.42,3.88,;-2.75,3.11,;-4.09,3.88,;-5.42,3.11,;-6.75,3.88,;-8.09,3.11,;-9.42,3.88,;-10.75,3.11,;-10.75,1.57,;-9.42,.8,;-8.09,1.57,;-5.42,1.57,;-4.09,.8,;-2.75,1.57,;-1.42,.8,;-1.42,-.74,;-2.75,-1.51,;-2.75,-3.05,;-1.42,-3.82,;-.09,-3.05,;1.38,-3.88,;2.28,-1.92,;3.82,-1.92,;4.59,-3.25,;4.59,-.58,;6.13,-.58,;6.9,.75,;8.44,.75,;9.21,-.58,;10.75,-.58,;8.44,-1.92,;6.9,-1.92,;1.25,-.74,;1.25,.8,;-.09,1.57,;-.09,3.11,;-.09,-1.51,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CC[C@H](O)CC4)c([nH]c1=O)c23 |r,wU:25.26,wD:28.30,(-3.82,-.66,;-3.82,.88,;-5.16,1.65,;-5.16,3.19,;-6.49,3.96,;-7.82,3.19,;-9.16,3.96,;-10.49,3.19,;-10.49,1.65,;-9.16,.88,;-7.82,1.65,;-3.82,3.96,;-2.49,3.19,;-2.49,1.65,;-1.16,.88,;-1.16,-.66,;-2.43,-1.98,;-2.11,-3.49,;-.65,-3.96,;.5,-2.93,;2.03,-3.09,;2.66,-1.69,;4.14,-1.29,;5.23,-2.38,;4.54,.2,;6.03,.6,;6.43,2.09,;7.92,2.48,;9,1.39,;10.49,1.79,;8.61,-.09,;7.12,-.49,;1.51,-.66,;1.51,.88,;.18,1.65,;.18,3.19,;.18,-1.43,)|
CCC(=O)N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:8.10,5.4,(11.63,-3.39,;10.3,-4.16,;8.96,-3.39,;7.63,-4.16,;8.96,-1.85,;7.63,-1.08,;7.63,.46,;6.16,.94,;5.26,-.31,;6.16,-1.55,;3.72,-.31,;2.95,-1.64,;3.72,-2.98,;1.41,-1.64,;.5,-3.61,;-.96,-2.77,;-2.29,-3.54,;-3.63,-2.77,;-3.63,-1.23,;-2.29,-.46,;-2.29,1.08,;-3.63,1.85,;-4.96,1.08,;-6.3,1.85,;-6.3,3.39,;-7.63,4.16,;-8.96,3.39,;-10.3,4.16,;-11.63,3.39,;-11.63,1.85,;-10.3,1.08,;-8.96,1.85,;-4.96,4.16,;-3.63,3.39,;-2.29,4.16,;-.96,1.85,;-.96,3.39,;.37,1.08,;.37,-.46,;-.96,-1.23,)|
CC(=O)N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.9,4.3,(10.96,-4.16,;9.63,-3.39,;8.3,-4.16,;9.63,-1.85,;8.3,-1.08,;8.3,.46,;6.83,.94,;5.93,-.31,;6.83,-1.55,;4.39,-.31,;3.62,-1.64,;4.39,-2.98,;2.08,-1.64,;1.17,-3.61,;-.29,-2.77,;-1.63,-3.54,;-2.96,-2.77,;-2.96,-1.23,;-1.63,-.46,;-1.63,1.08,;-2.96,1.85,;-4.29,1.08,;-5.63,1.85,;-5.63,3.39,;-6.96,4.16,;-8.3,3.39,;-9.63,4.16,;-10.96,3.39,;-10.96,1.85,;-9.63,1.08,;-8.3,1.85,;-4.29,4.16,;-2.96,3.39,;-1.63,4.16,;-.29,1.85,;-.29,3.39,;1.04,1.08,;1.04,-.46,;-.29,-1.23,)|
N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CCC(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:8.11,5.4,(12.29,-.58,;11.52,-1.92,;9.98,-1.92,;9.21,-3.25,;9.21,-.58,;7.67,-.58,;6.9,-1.92,;5.36,-1.92,;4.59,-.58,;5.36,.75,;6.9,.75,;3.05,-.58,;2.28,-1.92,;3.05,-3.25,;.74,-1.92,;-.16,-3.88,;-1.63,-3.05,;-2.96,-3.82,;-4.29,-3.05,;-4.29,-1.51,;-2.96,-.74,;-2.96,.8,;-4.29,1.57,;-5.63,.8,;-6.96,1.57,;-6.96,3.11,;-8.29,3.88,;-9.63,3.11,;-10.96,3.88,;-12.29,3.11,;-12.29,1.57,;-10.96,.8,;-9.63,1.57,;-5.63,3.88,;-4.29,3.11,;-2.96,3.88,;-1.63,1.57,;-1.63,3.11,;-.29,.8,;-.29,-.74,;-1.63,-1.51,)|
CCC(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:8.11,5.4,(12.16,-.77,;11.39,-2.1,;9.85,-2.1,;9.08,-3.44,;9.08,-.77,;7.54,-.77,;6.77,-2.1,;5.23,-2.1,;4.46,-.77,;5.23,.56,;6.77,.56,;2.92,-.77,;2.15,-2.1,;2.92,-3.44,;.61,-2.1,;-.16,-3.85,;-1.49,-3.08,;-2.83,-3.85,;-4.16,-3.08,;-4.16,-1.54,;-2.83,-.77,;-2.83,.77,;-4.16,1.54,;-5.49,.77,;-6.83,1.54,;-6.83,3.08,;-8.16,3.85,;-9.49,3.08,;-10.83,3.85,;-12.16,3.08,;-12.16,1.54,;-10.83,.77,;-9.49,1.54,;-5.49,3.85,;-4.16,3.08,;-2.83,3.85,;-1.49,1.54,;-1.49,3.08,;-.16,.77,;-.16,-.77,;-1.49,-1.54,)|
CC(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.10,4.3,(11.78,-2.1,;10.24,-2.1,;9.47,-3.44,;9.47,-.77,;7.93,-.77,;7.16,-2.1,;5.62,-2.1,;4.85,-.77,;5.62,.56,;7.16,.56,;3.31,-.77,;2.54,-2.1,;3.31,-3.44,;1,-2.1,;.23,-3.85,;-1.11,-3.08,;-2.44,-3.85,;-3.77,-3.08,;-3.77,-1.54,;-2.44,-.77,;-2.44,.77,;-3.77,1.54,;-5.11,.77,;-6.44,1.54,;-6.44,3.08,;-7.78,3.85,;-9.11,3.08,;-10.44,3.85,;-11.78,3.08,;-11.78,1.54,;-10.44,.77,;-9.11,1.54,;-5.11,3.85,;-3.77,3.08,;-2.44,3.85,;-1.11,1.54,;-1.11,3.08,;.23,.77,;.23,-.77,;-1.11,-1.54,)|
N[C@H]1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
N[C@@H]1CCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CN(C)[C@@H]1CC[C@@H](CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:6.9,3.2,(11.01,-2.1,;10.24,-.77,;11.01,.56,;8.7,-.77,;7.93,.56,;6.39,.56,;5.62,-.77,;6.39,-2.1,;7.93,-2.1,;4.08,-.77,;3.31,-2.1,;4.08,-3.44,;1.77,-2.1,;1,-3.85,;-.34,-3.08,;-1.67,-3.85,;-3,-3.08,;-3,-1.54,;-1.67,-.77,;-1.67,.77,;-3,1.54,;-4.34,.77,;-5.67,1.54,;-5.67,3.08,;-7.01,3.85,;-8.34,3.08,;-9.67,3.85,;-11.01,3.08,;-11.01,1.54,;-9.67,.77,;-8.34,1.54,;-4.34,3.85,;-3,3.08,;-1.67,3.85,;-.34,1.54,;-.34,3.08,;1,.77,;1,-.77,;-.34,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CC[C@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,28.32,(-2.16,4.24,;-3.49,3.46,;-4.83,4.24,;-6.16,3.46,;-7.5,4.24,;-8.83,3.46,;-10.16,4.24,;-11.5,3.46,;-11.5,1.92,;-10.16,1.15,;-8.83,1.92,;-6.16,1.92,;-4.83,1.15,;-3.49,1.92,;-2.16,1.15,;-2.16,-.39,;-3.49,-1.15,;-3.49,-2.69,;-2.16,-3.46,;-.83,-2.69,;.69,-3.05,;1.28,-1.72,;2.82,-1.72,;3.59,-3.05,;3.59,-.39,;5.13,-.39,;6.03,.86,;7.5,.39,;7.5,-1.15,;6.03,-1.63,;8.83,-1.92,;8.83,-3.46,;7.5,-4.24,;10.16,-4.24,;11.5,-3.46,;.51,-.39,;.51,1.15,;-.83,1.92,;-.83,3.46,;-.83,-1.15,)|
CN(C)CC(=O)N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.12,7.6,(12.83,-2.31,;11.5,-1.54,;11.5,,;10.16,-2.31,;8.83,-1.54,;8.83,,;7.5,-2.31,;6.16,-1.54,;6.16,,;4.7,.48,;3.79,-.77,;4.7,-2.02,;2.25,-.77,;1.48,-2.1,;2.25,-3.44,;-.06,-2.1,;-.63,-3.44,;-2.16,-3.08,;-3.49,-3.85,;-4.83,-3.08,;-4.83,-1.54,;-3.49,-.77,;-3.49,.77,;-4.83,1.54,;-6.16,.77,;-7.5,1.54,;-7.5,3.08,;-8.83,3.85,;-10.16,3.08,;-11.5,3.85,;-12.83,3.08,;-12.83,1.54,;-11.5,.77,;-10.16,1.54,;-6.16,3.85,;-4.83,3.08,;-3.49,3.85,;-2.16,1.54,;-2.16,3.08,;-.83,.77,;-.83,-.77,;-2.16,-1.54,)|
CNCC(=O)N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:9.11,6.5,(12.16,,;12.16,-1.54,;10.83,-2.31,;9.5,-1.54,;9.5,,;8.16,-2.31,;6.83,-1.54,;6.83,,;5.36,.48,;4.46,-.77,;5.36,-2.02,;2.92,-.77,;2.15,-2.1,;2.92,-3.44,;.61,-2.1,;.06,-3.42,;-1.49,-3.08,;-2.83,-3.85,;-4.16,-3.08,;-4.16,-1.54,;-2.83,-.77,;-2.83,.77,;-4.16,1.54,;-5.5,.77,;-6.83,1.54,;-6.83,3.08,;-8.16,3.85,;-9.5,3.08,;-10.83,3.85,;-12.16,3.08,;-12.16,1.54,;-10.83,.77,;-9.5,1.54,;-5.5,3.85,;-4.16,3.08,;-2.83,3.85,;-1.49,1.54,;-1.49,3.08,;-.16,.77,;-.16,-.77,;-1.49,-1.54,)|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:29.32,wD:25.26,(-1,6.27,;-2.33,5.5,;-3.67,6.27,;-5,5.5,;-6.33,6.27,;-7.67,5.5,;-9,6.27,;-10.33,5.5,;-10.33,3.96,;-9,3.19,;-7.67,3.96,;-5,3.96,;-3.67,3.19,;-2.33,3.96,;-1,3.19,;-1,1.65,;-2.33,.88,;-2.33,-.66,;-1,-1.43,;.33,-.66,;1.78,-1.11,;2.49,.38,;4.03,.38,;4.8,1.71,;4.8,-.95,;6.34,-.95,;7.24,.29,;8.71,-.18,;8.71,-1.72,;7.24,-2.2,;6.77,-3.66,;7.8,-4.81,;7.32,-6.27,;9.3,-4.49,;10.33,-5.63,;1.67,1.65,;1.67,3.19,;.33,3.96,;.33,5.5,;.33,.88,)|
C=CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.48,2.9,;-1.82,2.13,;-3.15,2.9,;-4.48,2.13,;-5.82,2.9,;-7.15,2.13,;-8.49,2.9,;-9.82,2.13,;-9.82,.59,;-8.49,-.18,;-7.15,.59,;-4.48,.59,;-3.15,-.18,;-1.82,.59,;-.48,-.18,;-.48,-1.72,;-1.82,-2.49,;-1.82,-4.03,;-.48,-4.8,;.85,-4.03,;2.3,-4.48,;3,-3,;4.54,-3,;5.31,-4.33,;5.31,-1.66,;6.85,-1.66,;7.76,-2.91,;9.22,-2.43,;9.22,-.89,;7.76,-.42,;7.28,1.05,;8.31,2.19,;9.82,1.87,;7.84,3.66,;8.87,4.8,;2.18,-1.72,;2.18,-.18,;.85,.59,;.85,2.13,;.85,-2.49,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,30.33,(-.65,5.08,;-1.98,4.31,;-3.32,5.08,;-4.65,4.31,;-5.98,5.08,;-7.32,4.31,;-8.65,5.08,;-9.98,4.31,;-9.98,2.77,;-8.65,2,;-7.32,2.77,;-4.65,2.77,;-3.32,2,;-1.98,2.77,;-.65,2,;-.65,.46,;-1.98,-.31,;-1.98,-1.85,;-.65,-2.62,;.68,-1.85,;2.15,-2.33,;3.05,-1.08,;4.59,-1.08,;5.36,-2.41,;5.36,.25,;6.9,.25,;7.67,1.59,;9.21,1.59,;9.98,.25,;9.21,-1.08,;7.67,-1.08,;6.9,-2.41,;7.67,-3.75,;6.9,-5.08,;9.21,-3.75,;9.98,-2.41,;2.02,.46,;2.02,2,;.68,2.77,;.68,4.31,;.68,-.31,)|
C=CC(=O)N[C@H]1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@H]4CC[C@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.28,22.22,(-10.3,1.54,;-10.3,3.08,;-11.63,3.85,;-8.96,3.85,;-7.63,3.08,;-7.63,1.54,;-6.3,.77,;-4.96,1.54,;-4.96,3.08,;-3.63,3.85,;-6.3,3.85,;-3.63,.77,;-3.63,-.77,;-4.96,-1.54,;-4.96,-3.08,;-3.63,-3.85,;-2.29,-3.08,;-.83,-3.56,;.08,-2.31,;1.62,-2.31,;2.39,-3.64,;2.39,-.98,;3.93,-.98,;4.83,.27,;6.3,-.21,;6.3,-1.75,;4.83,-2.22,;7.63,-2.52,;8.96,-1.75,;8.96,-.21,;10.3,-2.52,;11.63,-1.75,;-.96,-.77,;-.96,.77,;-2.29,1.54,;-2.29,3.08,;-2.29,-1.54,)|
CN(C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.6,wD:11.12,(11.27,-4.86,;9.79,-5.26,;9.39,-6.75,;8.7,-4.17,;7.21,-4.57,;6.81,-6.06,;6.12,-3.48,;6.52,-1.99,;7.98,-1.52,;7.98,.02,;6.52,.5,;5.61,-.75,;4.07,-.75,;3.3,.59,;4.07,1.92,;1.76,.59,;.86,-.66,;-.61,-.18,;-1.94,-.95,;-3.27,-.18,;-3.27,1.36,;-1.94,2.13,;-1.94,3.67,;-3.27,4.44,;-4.61,3.67,;-5.94,4.44,;-5.94,5.98,;-7.27,6.75,;-8.61,5.98,;-9.94,6.75,;-11.27,5.98,;-11.27,4.44,;-9.94,3.67,;-8.61,4.44,;-4.61,6.75,;-3.27,5.98,;-1.94,6.75,;-.61,4.44,;-.61,5.98,;.73,3.67,;.73,2.13,;-.61,1.36,)|
CNCC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:6.5,wD:10.11,(11.27,-5.21,;9.79,-5.6,;8.7,-4.52,;7.21,-4.91,;6.81,-6.4,;6.12,-3.82,;6.52,-2.34,;7.98,-1.86,;7.98,-.32,;6.52,.15,;5.61,-1.09,;4.07,-1.09,;3.3,.24,;4.07,1.58,;1.76,.24,;.86,-1,;-.61,-.53,;-1.94,-1.3,;-3.27,-.53,;-3.27,1.01,;-1.94,1.78,;-1.94,3.32,;-3.27,4.09,;-4.61,3.32,;-5.94,4.09,;-5.94,5.63,;-7.27,6.4,;-8.61,5.63,;-9.94,6.4,;-11.27,5.63,;-11.27,4.09,;-9.94,3.32,;-8.61,4.09,;-4.61,6.4,;-3.27,5.63,;-1.94,6.4,;-.61,4.09,;-.61,5.63,;.73,3.32,;.73,1.78,;-.61,1.01,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H]4NC(=O)CN)c([nH]c1=O)c23 |r,wU:29.32,wD:25.26,(-1.2,6.4,;-2.53,5.63,;-3.86,6.4,;-5.2,5.63,;-6.53,6.4,;-7.86,5.63,;-9.2,6.4,;-10.53,5.63,;-10.53,4.09,;-9.2,3.32,;-7.86,4.09,;-5.2,4.09,;-3.86,3.32,;-2.53,4.09,;-1.2,3.32,;-1.2,1.78,;-2.53,1.01,;-2.53,-.53,;-1.2,-1.3,;.14,-.53,;1.6,-1,;2.51,.24,;4.05,.24,;4.82,1.58,;4.82,-1.09,;6.36,-1.09,;7.26,.15,;8.73,-.32,;8.73,-1.86,;7.26,-2.34,;6.86,-3.83,;7.95,-4.91,;7.56,-6.4,;9.44,-4.52,;10.53,-5.6,;1.47,1.78,;1.47,3.32,;.14,4.09,;.14,5.63,;.14,1.01,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.85,5.07,;-2.18,4.3,;-3.52,5.07,;-4.85,4.3,;-6.18,5.07,;-7.52,4.3,;-8.85,5.07,;-10.19,4.3,;-10.19,2.76,;-8.85,1.99,;-7.52,2.76,;-4.85,2.76,;-3.52,1.99,;-2.18,2.76,;-.85,1.99,;-.85,.45,;-2.18,-.32,;-2.18,-1.86,;-.85,-2.63,;.48,-1.86,;1.95,-2.34,;2.85,-1.09,;4.39,-1.09,;5.16,-2.43,;5.16,.24,;6.7,.24,;7.61,1.49,;9.07,1.01,;9.07,-.53,;7.61,-1,;7.21,-2.49,;8.3,-3.58,;7.9,-5.07,;9.79,-3.18,;10.19,-1.69,;1.82,.45,;1.82,1.99,;.48,2.76,;.48,4.3,;.48,-.32,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4N)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.29,3.85,;-1.63,3.08,;-2.96,3.85,;-4.29,3.08,;-5.63,3.85,;-6.96,3.08,;-8.3,3.85,;-9.63,3.08,;-9.63,1.54,;-8.3,.77,;-6.96,1.54,;-4.29,1.54,;-2.96,.77,;-1.63,1.54,;-.29,.77,;-.29,-.77,;-1.63,-1.54,;-1.63,-3.08,;-.29,-3.85,;1.04,-3.08,;2.5,-3.56,;3.41,-2.31,;4.95,-2.31,;5.72,-3.64,;5.72,-.98,;7.26,-.98,;8.16,-2.22,;9.63,-1.75,;9.63,-.21,;8.16,.27,;7.77,1.76,;2.37,-.77,;2.37,.77,;1.04,1.54,;1.04,3.08,;1.04,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,wD:29.32,(-.58,4.65,;-1.92,3.88,;-3.25,4.65,;-4.58,3.88,;-5.92,4.65,;-7.25,3.88,;-8.58,4.65,;-9.92,3.88,;-9.92,2.34,;-8.58,1.57,;-7.25,2.34,;-4.58,2.34,;-3.25,1.57,;-1.92,2.34,;-.58,1.57,;-.58,.03,;-1.92,-.74,;-1.92,-2.28,;-.58,-3.05,;.75,-2.28,;2.22,-2.76,;3.12,-1.51,;4.61,-1.11,;5.7,-2.2,;5.01,.37,;6.49,.77,;6.97,2.24,;8.51,2.24,;8.99,.77,;7.74,-.13,;7.34,-1.62,;8.43,-2.71,;9.76,-1.94,;8.43,-4.25,;9.92,-4.65,;2.08,.03,;2.08,1.57,;.75,2.34,;.75,3.88,;.75,-.74,)|
C=CC(=O)N[C@@H]1CC[C@@H](C1)NC(=O)C1=C2NC(=O)N(C3C=CN=C(S1)C23)c1ccc(Oc2ccccc2)cc1 |r,c:14,21,t:23|
C=CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r,wU:8.11,5.4,(12.29,-.41,;11.52,-1.75,;9.98,-1.75,;9.21,-.41,;9.21,-3.08,;7.67,-3.08,;6.9,-4.41,;5.36,-4.41,;4.59,-3.08,;5.36,-1.75,;6.9,-1.75,;3.05,-3.08,;2.28,-1.75,;3.05,-.41,;.74,-1.75,;-.16,-2.99,;-1.63,-2.52,;-2.96,-3.29,;-4.29,-2.52,;-4.29,-.98,;-2.96,-.21,;-2.96,1.33,;-4.29,2.1,;-5.63,1.33,;-6.96,2.1,;-6.96,3.64,;-8.29,4.41,;-9.63,3.64,;-10.96,4.41,;-12.29,3.64,;-12.29,2.1,;-10.96,1.33,;-9.63,2.1,;-5.63,4.41,;-4.29,3.64,;-1.63,2.1,;-1.63,3.64,;-.29,1.33,;-.29,-.21,;-1.63,-.98,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H]4N)c([nH]c1=O)c23 |r,wU:29.32,wD:25.26,(-.29,5.11,;-1.63,4.34,;-2.96,5.11,;-4.29,4.34,;-5.63,5.11,;-6.96,4.34,;-8.3,5.11,;-9.63,4.34,;-9.63,2.8,;-8.3,2.03,;-6.96,2.8,;-4.29,2.8,;-2.96,2.03,;-1.63,2.8,;-.29,2.03,;-.29,.49,;-1.63,-.28,;-1.63,-1.82,;-.29,-2.59,;1.04,-1.82,;2.5,-2.29,;3.41,-1.05,;4.95,-1.05,;5.72,.29,;5.72,-2.38,;7.26,-2.38,;8.16,-1.13,;9.63,-1.61,;9.63,-3.15,;8.16,-3.63,;7.77,-5.11,;2.37,.49,;2.37,2.03,;1.04,2.8,;1.04,4.34,;1.04,-.28,)|
CNCC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.11,6.5,(8.79,5.38,;9.19,3.89,;8.1,2.8,;8.5,1.32,;9.99,.92,;7.41,.23,;7.81,-1.26,;9.27,-1.74,;9.27,-3.28,;7.81,-3.75,;6.9,-2.51,;5.36,-2.51,;4.59,-3.84,;5.36,-5.17,;3.05,-3.84,;2.15,-5.09,;.68,-4.61,;-.65,-5.38,;-1.98,-4.61,;-1.98,-3.07,;-.65,-2.3,;-.65,-.76,;-1.98,.01,;-3.32,-.76,;-4.65,.01,;-4.65,1.55,;-5.99,2.32,;-7.32,1.55,;-8.65,2.32,;-9.99,1.55,;-9.99,.01,;-8.65,-.76,;-7.32,.01,;-3.32,2.32,;-1.98,1.55,;-.65,2.32,;.68,.01,;.68,1.55,;2.02,-.76,;2.02,-2.3,;.68,-3.07,)|
CN(C)CC(=O)N[C@H]1CCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.6,wD:11.12,(11.14,2.81,;9.63,3.13,;9.16,4.59,;8.6,1.98,;7.1,2.3,;6.62,3.77,;6.07,1.16,;6.54,-.31,;8.01,-.78,;8.01,-2.32,;6.54,-2.8,;5.64,-1.55,;4.1,-1.55,;3.33,-2.89,;4.1,-4.22,;1.79,-2.89,;1.02,-4.22,;-.47,-3.82,;-1.8,-4.59,;-3.14,-3.82,;-3.14,-2.28,;-1.8,-1.51,;-1.8,.03,;-3.14,.8,;-4.47,.03,;-5.81,.8,;-5.81,2.34,;-7.14,3.11,;-8.47,2.34,;-9.81,3.11,;-11.14,2.34,;-11.14,.8,;-9.81,.03,;-8.47,.8,;-4.47,3.11,;-3.14,2.34,;-1.8,3.11,;-.47,.8,;-.47,2.34,;.86,.03,;.86,-1.51,;-.47,-2.28,)|
C=CC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CNCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:11.12,6.5,(10.7,-5,;9.16,-5,;8.39,-3.66,;6.85,-3.66,;6.08,-5,;6.08,-2.33,;6.85,-1,;8.39,-1,;9.16,.34,;8.39,1.67,;6.85,1.67,;6.08,.34,;4.54,.34,;3.77,-1,;4.54,-2.33,;2.23,-1,;1.46,-2.33,;-.03,-1.93,;-1.36,-2.7,;-2.7,-1.93,;-2.7,-.39,;-1.36,.38,;-1.36,1.92,;-2.7,2.69,;-4.03,1.92,;-5.36,2.69,;-5.36,4.23,;-6.7,5,;-8.03,4.23,;-9.37,5,;-10.7,4.23,;-10.7,2.69,;-9.37,1.92,;-8.03,2.69,;-4.03,5,;-2.7,4.23,;-1.36,5,;-.03,2.69,;-.03,4.23,;1.3,1.92,;1.3,.38,;-.03,-.39,)|
N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CN(C)CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.12,7.6,(8.17,5.48,;8.64,4.02,;10.15,3.7,;7.61,2.87,;8.09,1.41,;9.59,1.09,;7.06,.27,;7.53,-1.2,;9,-1.67,;9,-3.21,;7.53,-3.69,;6.63,-2.44,;5.09,-2.44,;4.32,-3.78,;5.09,-5.11,;2.78,-3.78,;2.01,-5.11,;.52,-4.71,;-.81,-5.48,;-2.15,-4.71,;-2.15,-3.17,;-.81,-2.4,;-.81,-.86,;-2.15,-.09,;-3.48,-.86,;-4.81,-.09,;-4.81,1.45,;-6.15,2.22,;-7.48,1.45,;-8.82,2.22,;-10.15,1.45,;-10.15,-.09,;-8.82,-.86,;-7.48,-.09,;-3.48,2.22,;-2.15,1.45,;-.81,2.22,;.52,-.09,;.52,1.45,;1.85,-.86,;1.85,-2.4,;.52,-3.17,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)CN)c([nH]c1=O)c23 |r,wD:25.26,30.33,(-.59,5,;-1.93,4.23,;-3.26,5,;-4.59,4.23,;-5.93,5,;-7.26,4.23,;-8.6,5,;-9.93,4.23,;-9.93,2.69,;-8.6,1.92,;-7.26,2.69,;-4.59,2.69,;-3.26,1.92,;-1.93,2.69,;-.59,1.92,;-.59,.38,;-1.93,-.39,;-1.93,-1.93,;-.59,-2.7,;.74,-1.93,;2.23,-2.33,;3,-1,;4.54,-1,;5.31,-2.33,;5.31,.34,;6.85,.34,;7.62,1.67,;9.16,1.67,;9.93,.34,;9.16,-1,;7.62,-1,;6.85,-2.33,;7.62,-3.66,;6.85,-5,;9.16,-3.66,;9.93,-5,;2.07,.38,;2.07,1.92,;.74,2.69,;.74,4.23,;.74,-.39,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@@H]4NC(=O)CN)c([nH]c1=O)c23 |r,wU:25.26,wD:29.32,(-1.05,4.99,;-2.38,4.22,;-3.72,4.99,;-5.05,4.22,;-6.39,4.99,;-7.72,4.22,;-9.05,4.99,;-10.39,4.22,;-10.39,2.68,;-9.05,1.91,;-7.72,2.68,;-5.05,2.68,;-3.72,1.91,;-2.38,2.68,;-1.05,1.91,;-1.05,.37,;-2.38,-.4,;-2.38,-1.94,;-1.05,-2.71,;.28,-1.94,;1.77,-2.34,;2.54,-1,;4.08,-1,;4.85,-2.34,;4.85,.33,;6.39,.33,;7.3,1.58,;8.76,1.1,;8.76,-.44,;7.3,-.92,;6.82,-2.38,;7.85,-3.53,;7.37,-4.99,;9.36,-3.21,;10.39,-4.35,;1.62,.37,;1.62,1.91,;.28,2.68,;.28,4.22,;.28,-.4,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)CN)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.54,2.95,;-1.87,2.18,;-3.2,2.95,;-4.54,2.18,;-5.87,2.95,;-7.2,2.18,;-8.54,2.95,;-9.87,2.18,;-9.87,.64,;-8.54,-.13,;-7.2,.64,;-4.54,.64,;-3.2,-.13,;-1.87,.64,;-.54,-.13,;-.54,-1.67,;-1.87,-2.44,;-1.87,-3.98,;-.54,-4.75,;.8,-3.98,;2.29,-4.38,;3.06,-3.05,;4.6,-3.05,;5.37,-4.38,;5.37,-1.71,;6.91,-1.71,;7.81,-2.96,;9.28,-2.48,;9.28,-.94,;7.81,-.47,;7.33,1,;8.37,2.14,;9.87,1.82,;7.89,3.61,;8.92,4.75,;2.13,-1.67,;2.13,-.13,;.8,.64,;.8,2.18,;.8,-2.44,)|
CN(C)CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:12.13,7.6,(10.7,-4.33,;9.16,-4.33,;8.39,-5.66,;8.39,-3,;6.85,-3,;6.08,-4.33,;6.08,-1.66,;6.85,-.33,;8.39,-.33,;9.16,1,;8.39,2.34,;6.85,2.34,;6.08,1,;4.54,1,;3.77,-.33,;4.54,-1.66,;2.23,-.33,;1.46,-1.66,;-.03,-1.27,;-1.36,-2.04,;-2.7,-1.27,;-2.7,.27,;-1.36,1.04,;-1.36,2.58,;-2.7,3.35,;-4.03,2.58,;-5.36,3.35,;-5.36,4.89,;-6.7,5.66,;-8.03,4.89,;-9.37,5.66,;-10.7,4.89,;-10.7,3.35,;-9.37,2.58,;-8.03,3.35,;-4.03,5.66,;-2.7,4.89,;-1.36,5.66,;-.03,3.35,;-.03,4.89,;1.3,2.58,;1.3,1.04,;-.03,.27,)|
CNCC(=O)N[C@H]1CCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.11,wD:6.5,(11.14,-4.03,;9.63,-4.35,;8.6,-3.21,;7.1,-3.53,;6.62,-4.99,;6.07,-2.38,;6.54,-.92,;8.01,-.44,;8.01,1.1,;6.54,1.58,;5.64,.33,;4.1,.33,;3.33,-1,;4.1,-2.34,;1.79,-1,;1.02,-2.34,;-.47,-1.94,;-1.8,-2.71,;-3.14,-1.94,;-3.14,-.4,;-1.8,.37,;-1.8,1.91,;-3.14,2.68,;-4.47,1.91,;-5.81,2.68,;-5.81,4.22,;-7.14,4.99,;-8.47,4.22,;-9.81,4.99,;-11.14,4.22,;-11.14,2.68,;-9.81,1.91,;-8.47,2.68,;-4.47,4.99,;-3.14,4.22,;-1.8,4.99,;-.47,2.68,;-.47,4.22,;.86,1.91,;.86,.37,;-.47,-.4,)|
CC(=O)N[C@H]1CCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:8.9,wD:4.3,(7.89,-4.99,;8.37,-3.53,;9.87,-3.21,;7.33,-2.38,;7.81,-.92,;9.28,-.44,;9.28,1.1,;7.81,1.58,;6.91,.33,;5.37,.33,;4.6,-1,;5.37,-2.34,;3.06,-1,;2.29,-2.34,;.8,-1.94,;-.54,-2.71,;-1.87,-1.94,;-1.87,-.4,;-.54,.37,;-.54,1.91,;-1.87,2.68,;-3.2,1.91,;-4.54,2.68,;-4.54,4.22,;-5.87,4.99,;-7.2,4.22,;-8.54,4.99,;-9.87,4.22,;-9.87,2.68,;-8.54,1.91,;-7.2,2.68,;-3.2,4.99,;-1.87,4.22,;-.54,4.99,;.8,2.68,;.8,4.22,;2.13,1.91,;2.13,.37,;.8,-.4,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@@H]4N)c([nH]c1=O)c23 |r,wU:25.26,wD:29.32,(-.24,3.85,;-1.57,3.08,;-2.9,3.85,;-4.24,3.08,;-5.57,3.85,;-6.91,3.08,;-8.24,3.85,;-9.57,3.08,;-9.57,1.54,;-8.24,.77,;-6.91,1.54,;-4.24,1.54,;-2.9,.77,;-1.57,1.54,;-.24,.77,;-.24,-.77,;-1.57,-1.54,;-1.57,-3.08,;-.24,-3.85,;1.1,-3.08,;2.58,-3.48,;3.35,-2.14,;4.89,-2.14,;5.66,-3.48,;5.66,-.81,;7.2,-.81,;8.11,.43,;9.57,-.04,;9.57,-1.58,;8.11,-2.06,;7.63,-3.52,;2.43,-.77,;2.43,.77,;1.1,1.54,;1.1,3.08,;1.1,-1.54,)|
CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:9.10,4.3,(9.16,-3.66,;7.62,-3.66,;6.85,-5,;6.85,-2.33,;7.62,-1,;9.16,-1,;9.93,.34,;9.16,1.67,;7.62,1.67,;6.85,.34,;5.31,.34,;4.54,-1,;5.31,-2.33,;3,-1,;2.23,-2.33,;.74,-1.93,;-.59,-2.7,;-1.93,-1.93,;-1.93,-.39,;-.59,.38,;-.59,1.92,;-1.93,2.69,;-3.26,1.92,;-4.59,2.69,;-4.59,4.23,;-5.93,5,;-7.26,4.23,;-8.59,5,;-9.93,4.23,;-9.93,2.69,;-8.59,1.92,;-7.26,2.69,;-3.26,5,;-1.93,4.23,;-.59,5,;.74,2.69,;.74,4.23,;2.07,1.92,;2.07,.38,;.74,-.39,)|
N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)c(Cl)c4)c(=O)[nH]c1c23 |r|
CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:8.9,4.3,(8.08,4.25,;8.48,2.77,;9.97,2.37,;7.39,1.68,;7.79,.19,;9.25,-.29,;9.25,-1.83,;7.79,-2.3,;6.88,-1.06,;5.34,-1.06,;4.57,-2.39,;5.34,-3.72,;3.03,-2.39,;2.21,-3.81,;.7,-3.48,;-.63,-4.25,;-1.97,-3.48,;-1.97,-1.94,;-.63,-1.17,;-.63,.37,;-1.97,1.14,;-3.3,.37,;-4.63,1.14,;-4.63,2.68,;-5.97,3.45,;-7.3,2.68,;-8.63,3.45,;-9.97,2.68,;-9.97,1.14,;-8.63,.37,;-7.3,1.14,;-3.3,3.45,;-1.97,2.68,;-.63,3.45,;.7,1.14,;.7,2.68,;2.04,.37,;2.04,-1.17,;.7,-1.94,)|
O[C@@H]1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
O[C@H]1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O[C@H]1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
N[C@H]1CC[C@H](CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r,wU:4.7,1.0,(10.74,-2.92,;9.2,-2.92,;8.43,-4.25,;6.89,-4.25,;6.12,-2.92,;6.89,-1.58,;8.43,-1.58,;4.58,-2.92,;3.81,-1.58,;4.58,-.25,;2.27,-1.58,;1.44,-3.01,;-.07,-2.68,;-1.4,-3.45,;-2.73,-2.68,;-2.73,-1.14,;-1.4,-.37,;-1.4,1.17,;-2.73,1.94,;-4.07,1.17,;-5.4,1.94,;-5.4,3.48,;-6.73,4.25,;-8.07,3.48,;-9.4,4.25,;-10.74,3.48,;-10.74,1.94,;-9.4,1.17,;-8.07,1.94,;-4.07,4.25,;-2.73,3.48,;-.07,1.94,;-.07,3.48,;1.27,1.17,;1.27,-.37,;-.07,-1.14,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r,wU:4.7,wD:1.0,(10.74,-.65,;9.2,-.65,;8.43,.68,;6.89,.68,;6.12,-.65,;6.89,-1.99,;8.43,-1.99,;4.58,-.65,;3.81,-1.99,;4.58,-3.32,;2.27,-1.99,;1.44,-3.41,;-.07,-3.08,;-1.4,-3.85,;-2.73,-3.08,;-2.73,-1.54,;-1.4,-.77,;-1.4,.77,;-2.73,1.54,;-4.07,.77,;-5.4,1.54,;-5.4,3.08,;-6.73,3.85,;-8.07,3.08,;-9.4,3.85,;-10.74,3.08,;-10.74,1.54,;-9.4,.77,;-8.07,1.54,;-4.07,3.85,;-2.73,3.08,;-.07,1.54,;-.07,3.08,;1.27,.77,;1.27,-.77,;-.07,-1.54,)|
N[C@@H]1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
N[C@H]1CCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
N[C@@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r,wU:8.7,wD:11.14,(13.05,-.25,;11.51,-.25,;10.74,1.08,;12.28,1.08,;10.74,-1.58,;9.2,-1.58,;8.43,-.25,;8.43,-2.92,;6.89,-2.92,;6.12,-4.25,;4.58,-4.25,;3.81,-2.92,;4.58,-1.58,;6.12,-1.58,;2.27,-2.92,;1.5,-1.58,;2.27,-.25,;-.04,-1.58,;-.87,-3.01,;-2.38,-2.68,;-3.71,-3.45,;-5.04,-2.68,;-5.04,-1.14,;-3.71,-.37,;-3.71,1.17,;-5.04,1.94,;-6.38,1.17,;-7.71,1.94,;-7.71,3.48,;-9.04,4.25,;-10.38,3.48,;-11.71,4.25,;-13.05,3.48,;-13.05,1.94,;-11.71,1.17,;-10.38,1.94,;-6.38,4.25,;-5.04,3.48,;-2.38,1.94,;-2.38,3.48,;-1.04,1.17,;-1.04,-.37,;-2.38,-1.14,)|
OC1(CNC(=O)c2sc3nccc4n(-c5ccc(Oc6ccccc6)cc5)c(=O)[nH]c2c34)CCCCC1
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@H]4CC[C@H](C4)NC(=O)\C=C\CN(C)C)c([nH]c1=O)c23 |r,wU:22.22,25.28,(-12.24,3.49,;-10.91,2.72,;-10.91,1.18,;-9.57,3.49,;-8.24,2.72,;-8.24,1.18,;-6.91,.41,;-5.57,1.18,;-5.57,2.72,;-4.24,3.49,;-6.91,3.49,;-4.24,.41,;-4.24,-1.13,;-5.57,-1.9,;-5.57,-3.44,;-4.24,-4.21,;-2.91,-3.44,;-1.42,-3.84,;-.65,-2.51,;.89,-2.51,;1.66,-3.84,;1.66,-1.18,;3.2,-1.18,;4.11,.07,;5.57,-.41,;5.57,-1.95,;4.11,-2.42,;6.91,-2.72,;8.24,-1.95,;9.57,-2.72,;8.24,-.41,;9.57,.36,;9.57,1.9,;10.91,2.67,;10.91,4.21,;12.24,1.9,;-1.57,-1.13,;-1.57,.41,;-2.91,1.18,;-2.91,2.72,;-2.91,-1.9,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@H]4NC(=O)CN)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.79,4.99,;-2.13,4.22,;-3.46,4.99,;-4.79,4.22,;-6.13,4.99,;-7.46,4.22,;-8.8,4.99,;-10.13,4.22,;-10.13,2.68,;-8.8,1.91,;-7.46,2.68,;-4.79,2.68,;-3.46,1.91,;-2.13,2.68,;-.79,1.91,;-.79,.37,;-2.13,-.4,;-2.13,-1.94,;-.79,-2.71,;.54,-1.94,;2.03,-2.34,;2.8,-1.01,;4.34,-1.01,;5.11,-2.34,;5.11,.32,;6.65,.32,;7.55,1.57,;9.02,1.09,;9.02,-.45,;7.55,-.92,;7.15,-2.41,;8.24,-3.5,;7.84,-4.99,;9.73,-3.1,;10.13,-1.61,;1.87,.37,;1.87,1.91,;.54,2.68,;.54,4.22,;.54,-.4,)|
CN(C)CC(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.12,7.6,(9.33,-5.33,;9.73,-3.84,;11.22,-3.44,;8.64,-2.75,;7.15,-3.15,;6.76,-4.64,;6.07,-2.06,;6.46,-.58,;7.93,-.1,;7.93,1.44,;6.46,1.92,;5.56,.67,;4.02,.67,;3.25,-.66,;4.02,-2,;1.71,-.66,;.94,-2,;-.55,-1.6,;-1.88,-2.37,;-3.22,-1.6,;-3.22,-.06,;-1.88,.71,;-1.88,2.25,;-3.22,3.02,;-4.55,2.25,;-5.88,3.02,;-5.88,4.56,;-7.22,5.33,;-8.55,4.56,;-9.88,5.33,;-11.22,4.56,;-11.22,3.02,;-9.88,2.25,;-8.55,3.02,;-4.55,5.33,;-3.22,4.56,;-1.88,5.33,;-.55,3.02,;-.55,4.56,;.78,2.25,;.78,.71,;-.55,-.06,)|
CNCC(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.11,6.5,(10.87,-1.21,;9.39,-1.61,;8.99,-3.1,;7.5,-3.5,;7.1,-4.99,;6.41,-2.41,;6.81,-.92,;8.27,-.45,;8.27,1.09,;6.81,1.57,;5.9,.32,;4.36,.32,;3.59,-1.01,;4.36,-2.34,;2.05,-1.01,;1.28,-2.34,;-.2,-1.94,;-1.54,-2.71,;-2.87,-1.94,;-2.87,-.4,;-1.54,.37,;-1.54,1.91,;-2.87,2.68,;-4.2,1.91,;-5.54,2.68,;-5.54,4.22,;-6.87,4.99,;-8.21,4.22,;-9.54,4.99,;-10.87,4.22,;-10.87,2.68,;-9.54,1.91,;-8.21,2.68,;-4.2,4.99,;-2.87,4.22,;-1.54,4.99,;-.2,2.68,;-.2,4.22,;1.13,1.91,;1.13,.37,;-.2,-.4,)|
O[C@@H]1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@H]4CC[C@H](C4)NC(=O)CN(C)C)c([nH]c1=O)c23 |r,wU:22.22,25.28,(-11.57,4.26,;-10.24,3.49,;-10.24,1.95,;-8.91,4.26,;-7.57,3.49,;-7.57,1.95,;-6.24,1.18,;-4.91,1.95,;-4.91,3.49,;-3.57,4.26,;-6.24,4.26,;-3.57,1.18,;-3.57,-.36,;-4.91,-1.13,;-4.91,-2.67,;-3.57,-3.44,;-2.24,-2.67,;-.75,-3.07,;.02,-1.74,;1.56,-1.74,;2.33,-3.07,;2.33,-.41,;3.87,-.41,;4.77,.84,;6.24,.36,;6.24,-1.18,;4.77,-1.65,;7.57,-1.95,;7.57,-3.49,;6.24,-4.26,;8.91,-4.26,;10.24,-3.49,;11.57,-4.26,;10.24,-1.95,;-.9,-.36,;-.9,1.18,;-2.24,1.95,;-2.24,3.49,;-2.24,-1.13,)|
CCC(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4N)c([nH]c1=O)c23 |r,wU:22.22,27.29,(-9.26,3.85,;-7.93,3.08,;-7.93,1.54,;-6.59,3.85,;-5.26,3.08,;-5.26,1.54,;-3.93,.77,;-2.59,1.54,;-2.59,3.08,;-1.26,3.85,;-3.93,3.85,;-1.26,.77,;-1.26,-.77,;-2.59,-1.54,;-2.59,-3.08,;-1.26,-3.85,;.07,-3.08,;1.56,-3.48,;2.33,-2.14,;3.87,-2.14,;4.64,-3.48,;4.64,-.81,;6.18,-.81,;6.95,-2.14,;8.49,-2.14,;9.26,-.81,;8.49,.52,;6.95,.52,;6.18,1.86,;1.41,-.77,;1.41,.77,;.07,1.54,;.07,3.08,;.07,-1.54,)|
CNCC(=O)N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC(C)C)cc4C)c(=O)[nH]c1c23 |r,wU:9.11,6.5,(12.24,-2.35,;10.91,-1.58,;9.57,-2.35,;8.24,-1.58,;8.24,-.04,;6.91,-2.35,;5.57,-1.58,;5.57,-.04,;4.11,.43,;3.2,-.81,;4.11,-2.06,;1.66,-.81,;.89,-2.14,;1.66,-3.48,;-.65,-2.14,;-1.42,-3.48,;-2.91,-3.08,;-4.24,-3.85,;-5.57,-3.08,;-5.57,-1.54,;-4.24,-.77,;-4.24,.77,;-5.57,1.54,;-6.91,.77,;-8.24,1.54,;-8.24,3.08,;-9.57,3.85,;-10.91,3.08,;-12.24,3.85,;-10.91,1.54,;-6.91,3.85,;-5.57,3.08,;-4.24,3.85,;-2.91,1.54,;-2.91,3.08,;-1.57,.77,;-1.57,-.77,;-2.91,-1.54,)|
CC(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:8.9,4.3,(9.93,-3.1,;8.44,-3.5,;8.04,-4.99,;7.35,-2.41,;7.75,-.92,;9.22,-.45,;9.22,1.09,;7.75,1.57,;6.85,.32,;5.31,.32,;4.54,-1.01,;5.31,-2.34,;3,-1.01,;2.23,-2.34,;.74,-1.94,;-.59,-2.71,;-1.93,-1.94,;-1.93,-.4,;-.59,.37,;-.59,1.91,;-1.93,2.68,;-3.26,1.91,;-4.6,2.68,;-4.6,4.22,;-5.93,4.99,;-7.26,4.22,;-8.6,4.99,;-9.93,4.22,;-9.93,2.68,;-8.6,1.91,;-7.26,2.68,;-3.26,4.99,;-1.93,4.22,;-.59,4.99,;.74,2.68,;.74,4.22,;2.07,1.91,;2.07,.37,;.74,-.4,)|
CC(C)(C)OC(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r,wU:11.14,8.7,(13.01,-4.33,;11.47,-4.33,;10.7,-5.66,;12.24,-5.66,;10.7,-3,;9.16,-3,;8.39,-4.33,;8.39,-1.66,;6.85,-1.66,;6.08,-3,;4.54,-3,;3.77,-1.66,;4.54,-.33,;6.08,-.33,;2.23,-1.66,;1.46,-.33,;2.23,1,;-.08,-.33,;-.85,-1.66,;-2.34,-1.27,;-3.67,-2.04,;-5.01,-1.27,;-5.01,.27,;-3.67,1.04,;-3.67,2.58,;-5.01,3.35,;-6.34,2.58,;-7.67,3.35,;-7.67,4.89,;-9.01,5.66,;-10.34,4.89,;-11.67,5.66,;-13.01,4.89,;-13.01,3.35,;-11.67,2.58,;-10.34,3.35,;-6.34,5.66,;-5.01,4.89,;-2.34,3.35,;-2.34,4.89,;-1.01,2.58,;-1.01,1.04,;-2.34,.27,)|
N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,26.28,(-9.26,6.86,;-7.93,6.09,;-7.93,4.55,;-6.6,6.86,;-5.26,6.09,;-5.26,4.55,;-3.93,3.78,;-2.59,4.55,;-2.59,6.09,;-1.26,6.86,;-3.93,6.86,;-1.26,3.78,;-1.26,2.24,;-2.59,1.47,;-2.59,-.07,;-1.26,-.84,;.07,-.07,;1.56,-.46,;2.33,.87,;3.87,.87,;4.64,2.2,;4.64,-.46,;6.18,-.46,;7.09,.78,;8.55,.3,;8.55,-1.23,;7.09,-1.71,;6.69,-3.2,;7.78,-4.29,;9.26,-3.89,;7.38,-5.77,;8.47,-6.86,;1.41,2.24,;1.41,3.78,;.07,4.55,;.07,6.09,;.07,1.47,)|
Cc1nc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-3.26,2.24,;-3.26,3.78,;-4.6,4.55,;-4.6,6.09,;-5.93,6.86,;-7.26,6.09,;-8.6,6.86,;-9.93,6.09,;-9.93,4.55,;-8.6,3.78,;-7.26,4.55,;-3.26,6.86,;-1.93,6.09,;-1.93,4.55,;-.59,3.78,;-.59,2.24,;-1.93,1.47,;-1.93,-.07,;-.59,-.84,;.74,-.07,;2.23,-.46,;3,.87,;4.54,.87,;5.31,2.2,;5.31,-.46,;6.85,-.46,;7.75,.78,;9.22,.3,;9.22,-1.23,;7.75,-1.71,;7.35,-3.2,;8.44,-4.29,;9.93,-3.89,;8.04,-5.77,;9.13,-6.86,;2.07,2.24,;2.07,3.78,;.74,4.55,;.74,6.09,;.74,1.47,)|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cc(ncn4)-c4ccccc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4N)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-2.96,-.77,;-2.96,.77,;-4.29,1.54,;-4.29,3.08,;-5.63,3.85,;-6.96,3.08,;-8.3,3.85,;-9.63,3.08,;-9.63,1.54,;-8.3,.77,;-6.96,1.54,;-2.96,3.85,;-1.63,3.08,;-1.63,1.54,;-.29,.77,;-.29,-.77,;-1.63,-1.54,;-1.63,-3.08,;-.29,-3.85,;1.04,-3.08,;2.5,-3.56,;3.41,-2.31,;4.95,-2.31,;5.72,-3.64,;5.72,-.98,;7.26,-.98,;8.16,.27,;9.63,-.21,;9.63,-1.75,;8.16,-2.22,;7.77,-3.71,;2.37,-.77,;2.37,.77,;1.04,1.54,;1.04,3.08,;1.04,-1.54,)|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-3.86,.45,;-3.86,1.99,;-5.2,2.76,;-5.2,4.3,;-6.53,5.07,;-7.86,4.3,;-9.2,5.07,;-10.53,4.3,;-10.53,2.76,;-9.2,1.99,;-7.86,2.76,;-3.86,5.07,;-2.53,4.3,;-2.53,2.76,;-1.19,1.99,;-1.19,.45,;-2.53,-.32,;-2.53,-1.86,;-1.19,-2.63,;.14,-1.86,;1.6,-2.34,;2.51,-1.09,;4.05,-1.09,;4.82,-2.43,;4.82,.24,;6.36,.24,;7.26,1.49,;8.73,1.01,;8.73,-.53,;7.26,-1,;6.87,-2.49,;7.95,-3.58,;7.56,-5.07,;9.44,-3.18,;10.53,-4.27,;1.47,.45,;1.47,1.99,;.14,2.76,;.14,4.3,;.14,-.32,)|
C=CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,30.33,(-3.32,1.13,;-3.32,2.67,;-4.65,3.44,;-4.65,4.98,;-5.98,5.75,;-7.32,4.98,;-8.65,5.75,;-9.98,4.98,;-9.98,3.44,;-8.65,2.67,;-7.32,3.44,;-3.32,5.75,;-1.98,4.98,;-1.98,3.44,;-.65,2.67,;-.65,1.13,;-1.98,.36,;-1.98,-1.18,;-.65,-1.95,;.68,-1.18,;2.15,-1.66,;3.05,-.41,;4.59,-.41,;5.36,-1.75,;5.36,.92,;6.9,.92,;7.67,2.25,;9.21,2.25,;9.98,.92,;9.21,-.41,;7.67,-.41,;6.9,-1.75,;7.67,-3.08,;9.21,-3.08,;6.9,-4.41,;7.67,-5.75,;2.02,1.13,;2.02,2.67,;.68,3.44,;.68,4.98,;.68,.36,)|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:22.22,27.29,(-9.32,3.6,;-7.98,2.83,;-7.98,1.29,;-6.65,3.6,;-5.32,2.83,;-5.32,1.29,;-3.98,.52,;-2.65,1.29,;-2.65,2.83,;-1.32,3.6,;-3.98,3.6,;-1.32,.52,;-1.32,-1.02,;-2.65,-1.79,;-2.65,-3.33,;-1.32,-4.1,;.02,-3.33,;1.48,-3.81,;2.39,-2.56,;3.93,-2.56,;4.7,-3.9,;4.7,-1.23,;6.24,-1.23,;7.01,-2.56,;8.55,-2.56,;9.32,-1.23,;8.55,.1,;7.01,.1,;6.24,1.44,;7.01,2.77,;6.24,4.1,;8.55,2.77,;9.32,1.44,;1.35,-1.02,;1.35,.52,;.02,1.29,;.02,2.83,;.02,-1.79,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,wD:28.32,(-2.96,3.85,;-4.29,3.08,;-5.63,3.85,;-6.96,3.08,;-8.3,3.85,;-9.63,3.08,;-10.96,3.85,;-12.3,3.08,;-12.3,1.54,;-10.96,.77,;-9.63,1.54,;-6.96,1.54,;-5.63,.77,;-4.29,1.54,;-2.96,.77,;-2.96,-.77,;-4.29,-1.54,;-4.29,-3.08,;-2.96,-3.85,;-1.63,-3.08,;-.16,-3.56,;.74,-2.31,;2.28,-2.31,;3.05,-3.64,;3.05,-.98,;4.59,-.98,;5.5,-2.22,;6.96,-1.75,;6.96,-.21,;5.5,.27,;8.3,.56,;9.63,-.21,;9.63,-1.75,;10.96,.56,;12.3,-.21,;-.29,-.77,;-.29,.77,;-1.63,1.54,;-1.63,3.08,;-1.63,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,29.33,(-1.8,4.41,;-3.14,3.64,;-4.47,4.41,;-5.8,3.64,;-7.14,4.41,;-8.47,3.64,;-9.81,4.41,;-11.14,3.64,;-11.14,2.1,;-9.81,1.33,;-8.47,2.1,;-5.8,2.1,;-4.47,1.33,;-3.14,2.1,;-1.8,1.33,;-1.8,-.21,;-3.14,-.98,;-3.14,-2.52,;-1.8,-3.29,;-.47,-2.52,;.99,-2.99,;1.9,-1.75,;3.44,-1.75,;4.21,-.41,;4.21,-3.08,;5.75,-3.08,;6.52,-4.41,;8.06,-4.41,;8.83,-3.08,;8.06,-1.75,;6.52,-1.75,;8.83,-.41,;10.37,-.41,;11.14,.92,;11.14,-1.75,;10.37,-3.08,;.86,-.21,;.86,1.33,;-.47,2.1,;-.47,3.64,;-.47,-.98,)|
C=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:8.10,4.3,(11.14,-1.75,;10.37,-.41,;11.14,.92,;8.83,-.41,;8.06,-1.75,;8.83,-3.08,;8.06,-4.41,;6.52,-4.41,;5.75,-3.08,;6.52,-1.75,;4.21,-3.08,;3.44,-1.75,;4.21,-.41,;1.9,-1.75,;.99,-2.99,;-.47,-2.52,;-1.8,-3.29,;-3.14,-2.52,;-3.14,-.98,;-1.8,-.21,;-1.8,1.33,;-3.14,2.1,;-4.47,1.33,;-5.8,2.1,;-5.8,3.64,;-7.14,4.41,;-8.47,3.64,;-9.81,4.41,;-11.14,3.64,;-11.14,2.1,;-9.81,1.33,;-8.47,2.1,;-4.47,4.41,;-3.14,3.64,;-1.8,4.41,;-.47,2.1,;-.47,3.64,;.86,1.33,;.86,-.21,;-.47,-.98,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H](N)C4)c([nH]c1=O)c23 |r,wU:25.26,wD:29.31,(-.65,4.41,;-1.98,3.64,;-3.32,4.41,;-4.65,3.64,;-5.98,4.41,;-7.32,3.64,;-8.65,4.41,;-9.98,3.64,;-9.98,2.1,;-8.65,1.33,;-7.32,2.1,;-4.65,2.1,;-3.32,1.33,;-1.98,2.1,;-.65,1.33,;-.65,-.21,;-1.98,-.98,;-1.98,-2.52,;-.65,-3.29,;.68,-2.52,;2.15,-2.99,;3.05,-1.75,;4.59,-1.75,;5.36,-.41,;5.36,-3.08,;6.9,-3.08,;7.67,-4.41,;9.21,-4.41,;9.98,-3.08,;9.21,-1.75,;9.98,-.41,;7.67,-1.75,;2.02,-.21,;2.02,1.33,;.68,2.1,;.68,3.64,;.68,-.98,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,wD:29.33,(-2.57,4.41,;-3.91,3.64,;-5.24,4.41,;-6.57,3.64,;-7.91,4.41,;-9.24,3.64,;-10.58,4.41,;-11.91,3.64,;-11.91,2.1,;-10.58,1.33,;-9.24,2.1,;-6.57,2.1,;-5.24,1.33,;-3.91,2.1,;-2.57,1.33,;-2.57,-.21,;-3.91,-.98,;-3.91,-2.52,;-2.57,-3.29,;-1.24,-2.52,;.22,-2.99,;1.13,-1.75,;2.67,-1.75,;3.44,-.41,;3.44,-3.08,;4.98,-3.08,;5.75,-4.41,;7.29,-4.41,;8.06,-3.08,;7.29,-1.75,;5.75,-1.75,;8.06,-.41,;9.6,-.41,;10.37,.92,;10.37,-1.75,;11.91,-1.75,;.09,-.21,;.09,1.33,;-1.24,2.1,;-1.24,3.64,;-1.24,-.98,)|
Cc1cc(OC2CCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:23.24,28.31,(-1.03,6.4,;-2.36,5.63,;-3.7,6.4,;-5.03,5.63,;-6.36,6.4,;-7.7,5.63,;-9.18,6.02,;-9.58,4.54,;-8.1,4.14,;-5.03,4.09,;-3.7,3.32,;-2.36,4.09,;-1.03,3.32,;-1.03,1.78,;-2.34,1.04,;-2.34,-.49,;-1.03,-1.23,;.31,-.49,;1.76,-.96,;2.65,.27,;4.19,.27,;4.96,1.61,;4.96,-1.06,;6.5,-1.06,;7.27,.27,;8.81,.27,;9.58,-1.06,;8.81,-2.4,;7.27,-2.4,;6.5,-3.73,;7.27,-5.06,;6.5,-6.4,;8.81,-5.06,;9.58,-3.73,;1.62,1.79,;1.64,3.32,;.31,4.09,;.31,5.63,;.31,1.04,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,wD:28.32,(-2.29,3.85,;-3.63,3.08,;-4.96,3.85,;-6.29,3.08,;-7.63,3.85,;-8.96,3.08,;-10.3,3.85,;-11.63,3.08,;-11.63,1.54,;-10.3,.77,;-8.96,1.54,;-6.29,1.54,;-4.96,.77,;-3.63,1.54,;-2.29,.77,;-2.29,-.77,;-3.63,-1.54,;-3.63,-3.08,;-2.29,-3.85,;-.96,-3.08,;.5,-3.56,;1.41,-2.31,;2.95,-2.31,;3.72,-3.64,;3.72,-.46,;5.26,-.98,;6.16,-2.22,;7.63,-1.75,;7.63,-.21,;6.16,.27,;8.96,.56,;10.3,-.21,;10.3,-1.75,;11.63,.56,;11.63,2.1,;.37,-.77,;.37,.77,;-.96,1.54,;-.96,3.08,;-.96,-1.54,)|
C=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@H]4CC[C@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:22.22,25.28,(-10.96,4.21,;-9.63,3.44,;-9.63,1.9,;-8.3,4.21,;-6.96,3.44,;-6.96,1.9,;-5.63,1.13,;-4.3,1.9,;-4.3,3.44,;-2.96,4.21,;-5.63,4.21,;-2.96,1.13,;-2.96,-.41,;-4.3,-1.18,;-4.3,-2.72,;-2.96,-3.49,;-1.63,-2.72,;-.16,-3.19,;.74,-1.95,;2.28,-1.95,;3.05,-3.28,;3.05,-.61,;4.59,-1.13,;5.5,.11,;6.96,-.36,;6.96,-1.9,;5.5,-2.38,;8.3,-2.67,;9.63,-1.9,;9.63,-.36,;10.96,-2.67,;10.96,-4.21,;-.29,-.41,;-.29,1.13,;-1.63,1.9,;-1.63,3.44,;-1.63,-1.18,)|
Cc1nc(OC2CCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:23.24,28.31,(-3.73,1.57,;-3.73,3.11,;-5.07,3.88,;-5.07,5.42,;-6.4,6.19,;-7.73,5.42,;-9.22,5.82,;-9.62,4.33,;-8.13,3.93,;-3.73,6.19,;-2.4,5.42,;-2.4,3.88,;-1.08,3.1,;-1.07,1.57,;-2.4,.8,;-2.4,-.74,;-1.07,-1.51,;.27,-.74,;1.76,-1.14,;2.69,.48,;4.23,.48,;5,1.81,;5,-.85,;6.54,-.85,;7.31,.48,;8.85,.48,;9.62,-.85,;8.85,-2.19,;7.31,-2.19,;6.54,-3.52,;7.31,-4.86,;6.54,-6.19,;8.85,-4.86,;9.62,-3.52,;1.6,1.57,;1.6,3.11,;.27,3.88,;.27,5.42,;.27,.8,)|
C=CC(=O)N[C@@H]1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cc(ccn4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:22.22,26.29,(-11.27,4.33,;-9.94,3.56,;-9.94,2.02,;-8.6,4.33,;-7.27,3.56,;-7.27,2.02,;-5.93,1.25,;-4.6,2.02,;-4.6,3.56,;-3.27,4.33,;-5.93,4.33,;-3.27,1.25,;-3.27,-.29,;-4.6,-1.06,;-4.6,-2.6,;-3.27,-3.37,;-1.93,-2.6,;-.45,-3,;.49,-1.38,;2.03,-1.38,;2.8,-2.71,;2.8,-.04,;4.34,-.33,;5.11,1,;6.65,1,;7.42,-.33,;6.65,-1.67,;5.11,-1.67,;7.42,-3,;8.96,-3,;9.73,-1.67,;9.73,-4.33,;11.27,-4.33,;-.6,-.29,;-.6,1.25,;-1.93,2.02,;-1.93,3.56,;-1.93,-1.06,)|
Clc1cc(ccc1Oc1ccccc1)-n1c2ccnc3sc(C(=O)N[C@H]4CC[C@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cncc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccn4)c(=O)[nH]c1c23 |r|
CC(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:8.10,wD:4.3,(10.01,4.33,;9.24,3,;7.7,3,;10.01,1.66,;9.24,.33,;10.01,-1.01,;9.24,-2.34,;7.7,-2.34,;6.93,-1.01,;7.7,.33,;5.39,-.49,;4.62,-2.34,;5.39,-3.67,;3.08,-2.34,;2.15,-3.96,;.66,-3.56,;-.68,-4.33,;-2.01,-3.56,;-2.01,-2.02,;-.68,-1.25,;-.68,.29,;-2.01,1.06,;-3.34,.29,;-4.68,1.06,;-4.68,2.6,;-6.01,3.37,;-7.34,2.6,;-8.68,3.37,;-10.01,2.6,;-10.01,1.06,;-8.68,.29,;-7.34,1.06,;-3.34,3.37,;-2.01,2.6,;-.68,3.37,;.66,1.06,;.66,2.6,;1.99,.29,;1.99,-1.25,;.66,-2.02,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wD:28.32,25.26,(-2.98,3.85,;-4.32,3.08,;-5.65,3.85,;-6.98,3.08,;-8.32,3.85,;-9.65,3.08,;-10.99,3.85,;-12.32,3.08,;-12.32,1.54,;-10.99,.77,;-9.65,1.54,;-6.98,1.54,;-5.65,.77,;-4.32,1.54,;-2.98,.77,;-2.98,-.77,;-4.32,-1.54,;-4.32,-3.08,;-2.98,-3.85,;-1.65,-3.08,;-.16,-3.48,;.77,-1.86,;2.31,-1.86,;3.08,-3.19,;3.1,-.4,;4.64,-.4,;5.55,.84,;7.01,.37,;7.01,-1.17,;5.55,-1.65,;8.26,-2.08,;9.67,-1.45,;9.67,.09,;10.91,-2.36,;12.32,-1.73,;-.32,-.77,;-.32,.77,;-1.65,1.54,;-1.65,3.08,;-1.65,-1.54,)|
C=CC(=O)N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2cccnc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.59,4.29,;-1.93,3.52,;-3.26,4.29,;-4.6,3.52,;-5.93,4.29,;-7.26,3.52,;-8.6,4.29,;-9.93,3.52,;-9.93,1.98,;-8.6,1.21,;-7.26,1.98,;-4.6,1.98,;-3.26,1.21,;-1.93,1.98,;-.59,1.21,;-.59,-.33,;-1.93,-1.1,;-1.93,-2.64,;-.59,-3.41,;.74,-2.64,;2.23,-3.04,;3,-1.71,;4.54,-1.71,;5.31,-.37,;5.31,-3.04,;6.85,-3.04,;7.75,-4.29,;9.22,-3.81,;9.22,-2.27,;7.75,-1.8,;7.35,-.31,;8.44,.78,;9.93,.38,;8.04,2.27,;9.13,3.36,;2.07,-.33,;2.07,1.21,;.74,1.98,;.74,3.52,;.74,-1.1,)|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:29.32,wD:25.26,(-3.75,.37,;-3.75,1.91,;-5.08,2.68,;-5.08,4.22,;-6.41,4.99,;-7.75,4.22,;-9.08,4.99,;-10.42,4.22,;-10.42,2.68,;-9.08,1.91,;-7.75,2.68,;-3.75,4.99,;-2.41,4.22,;-2.41,2.68,;-1.08,1.91,;-1.08,.37,;-2.41,-.4,;-2.41,-1.94,;-1.08,-2.71,;.25,-1.94,;1.74,-2.34,;2.51,-1,;4.05,-1,;4.82,-2.34,;4.82,.85,;6.36,.33,;7.27,1.58,;8.73,1.1,;8.73,-.44,;7.27,-.92,;6.79,-2.38,;7.82,-3.53,;7.34,-4.99,;9.33,-3.21,;10.42,-4.29,;1.59,.37,;1.59,1.91,;.25,2.68,;.25,4.22,;.25,-.4,)|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4cccnc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cnnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1nc(OC2CCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:23.24,28.31,(-3.73,1.57,;-3.73,3.11,;-5.07,3.88,;-5.07,5.42,;-6.4,6.19,;-7.73,5.42,;-9.22,5.82,;-9.62,4.33,;-8.13,3.93,;-3.73,6.19,;-2.4,5.42,;-2.4,3.88,;-1.07,3.11,;-1.07,1.57,;-2.4,.8,;-2.4,-.74,;-1.07,-1.51,;.27,-.74,;1.76,-1.14,;2.69,.48,;4.23,.48,;5,1.81,;5,-.85,;6.54,-.85,;7.31,.48,;8.85,.48,;9.62,-.85,;8.85,-2.19,;7.31,-2.19,;6.54,-3.52,;7.31,-4.86,;6.54,-6.19,;8.85,-4.86,;9.62,-3.52,;1.6,1.57,;1.6,3.11,;.27,3.88,;.27,5.42,;.27,.8,)|
CC(C)Oc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r|
Cc1cc(OC2CCOCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-.86,4.85,;-2.19,4.08,;-3.52,4.85,;-4.86,4.08,;-6.19,4.85,;-7.52,4.08,;-8.86,4.85,;-10.19,4.08,;-10.19,2.54,;-8.86,1.77,;-7.52,2.54,;-4.86,2.54,;-3.52,1.77,;-2.19,2.54,;-.86,1.77,;-.86,.23,;-2.19,-.54,;-2.19,-2.08,;-.86,-2.85,;.48,-2.08,;1.96,-2.48,;2.9,-.86,;4.44,-.86,;5.21,-2.2,;5.21,.99,;6.75,.47,;7.66,1.72,;9.12,1.24,;9.12,-.3,;7.66,-.77,;7.18,-2.24,;8.21,-3.38,;7.73,-4.85,;9.72,-3.06,;10.19,-1.6,;1.81,.23,;1.81,1.77,;.48,2.54,;.48,4.08,;.48,-.54,)|
CC(C)c1cc(ccn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N[C@H]1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CC(C)Oc1ccc(c(C)n1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:27.29,22.22,(-9.43,6.27,;-8.1,5.5,;-8.1,3.96,;-6.77,6.27,;-5.43,5.5,;-4.1,6.27,;-2.77,5.5,;-2.77,3.96,;-4.1,3.19,;-4.1,1.65,;-5.43,3.96,;-1.43,3.19,;-1.43,1.65,;-2.77,.88,;-2.77,-.66,;-1.43,-1.43,;-.1,-.66,;1.39,-1.06,;2.32,.56,;3.86,.56,;4.63,2.41,;4.63,-.77,;6.06,-.8,;6.83,.53,;8.37,.53,;9.14,-.8,;8.37,-2.14,;6.83,-2.14,;6.35,-3.6,;7.13,-4.93,;6.37,-6.27,;8.67,-4.92,;9.43,-3.59,;1.23,1.65,;1.23,3.19,;-.1,3.96,;-.1,5.5,;-.1,.88,)|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)CCCl)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-4.55,.23,;-4.55,1.77,;-5.89,2.54,;-5.89,4.08,;-7.22,4.85,;-8.55,4.08,;-9.89,4.85,;-11.22,4.08,;-11.22,2.54,;-9.89,1.77,;-8.55,2.54,;-4.55,4.85,;-3.22,4.08,;-3.22,2.54,;-1.89,1.77,;-1.89,.23,;-3.22,-.54,;-3.22,-2.08,;-1.89,-2.85,;-.55,-2.08,;.93,-2.48,;1.87,-.86,;3.41,-.86,;4.18,-2.2,;4.18,.99,;5.72,.47,;6.62,1.72,;8.09,1.24,;8.09,-.3,;6.62,-.77,;6.15,-2.24,;7.18,-3.38,;6.7,-4.85,;8.69,-3.06,;9.72,-4.21,;11.22,-3.89,;.78,.23,;.78,1.77,;-.55,2.54,;-.55,4.08,;-.55,-.54,)|
CC(C)Oc1ccc(c(C)n1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:27.29,22.22,(-9.43,6.27,;-8.1,5.5,;-8.1,3.96,;-6.77,6.27,;-5.43,5.5,;-4.1,6.27,;-2.77,5.5,;-2.77,3.96,;-4.1,3.19,;-4.1,1.65,;-5.43,3.96,;-1.43,3.19,;-1.43,1.65,;-2.77,.88,;-2.77,-.66,;-1.43,-1.43,;-.1,-.66,;1.39,-1.06,;2.32,.56,;3.86,.56,;4.63,2.41,;4.63,-.77,;6.06,-.8,;6.83,.53,;8.37,.53,;9.14,-.8,;8.37,-2.14,;6.83,-2.14,;6.35,-3.6,;7.13,-4.93,;6.37,-6.27,;8.67,-4.92,;9.43,-3.58,;1.23,1.65,;1.23,3.19,;-.1,3.96,;-.1,5.5,;-.1,.88,)|
C=CC(=O)N[C@@H]1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:30.33,wD:25.26,(-3.34,.24,;-3.34,1.78,;-4.68,2.55,;-4.68,4.09,;-6.01,4.86,;-7.34,4.09,;-8.68,4.86,;-10.01,4.09,;-10.01,2.55,;-8.68,1.78,;-7.34,2.55,;-3.34,4.86,;-2.01,4.09,;-2.01,2.55,;-.68,1.78,;-.68,.24,;-2.01,-.53,;-2.01,-2.07,;-.68,-2.84,;.66,-2.07,;2.15,-2.47,;3.08,-.85,;4.62,-.85,;5.39,-2.19,;5.39,.48,;6.93,.48,;7.7,1.81,;9.24,1.81,;10.01,.48,;9.24,-.85,;7.7,-.85,;6.93,-2.19,;7.7,-3.52,;6.93,-4.86,;9.24,-3.52,;10.01,-4.86,;1.99,.24,;1.99,1.78,;.66,2.55,;.66,4.09,;.66,-.53,)|
C=CC(=O)N[C@H]1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:26.29,wD:22.22,(-11.27,4.19,;-9.94,3.42,;-9.94,1.88,;-8.6,4.19,;-7.27,3.42,;-7.27,1.88,;-5.93,1.11,;-4.6,1.88,;-4.6,3.42,;-3.27,4.19,;-5.93,4.19,;-3.27,1.11,;-3.27,-.43,;-4.6,-1.2,;-4.6,-2.74,;-3.27,-3.51,;-1.93,-2.74,;-.45,-3.14,;.49,-1.52,;2.03,-1.52,;2.8,-2.85,;2.8,-.19,;4.34,-.19,;5.11,1.15,;6.65,1.15,;7.42,-.19,;6.65,-1.52,;5.11,-1.52,;7.42,-2.85,;8.96,-2.85,;9.73,-1.52,;9.73,-4.19,;11.27,-4.19,;-.6,-.43,;-.6,1.11,;-1.93,1.88,;-1.93,3.42,;-1.93,-1.2,)|
C=CC(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
CN(C)CC(=O)N[C@@H]1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.12,wD:7.6,(12.99,1.01,;11.66,.24,;11.66,-1.3,;10.32,1.01,;8.99,.24,;8.99,-1.3,;7.66,1.01,;6.32,.24,;6.32,-1.3,;4.86,-1.77,;3.95,-.53,;4.86,.72,;2.41,-.53,;1.64,-1.86,;2.41,-3.19,;.1,-1.86,;-.83,-3.48,;-2.32,-3.08,;-3.65,-3.85,;-4.99,-3.08,;-4.99,-1.54,;-3.65,-.77,;-3.65,.77,;-4.99,1.54,;-6.32,.77,;-7.66,1.54,;-7.66,3.08,;-8.99,3.85,;-10.32,3.08,;-11.66,3.85,;-12.99,3.08,;-12.99,1.54,;-11.66,.77,;-10.32,1.54,;-6.32,3.85,;-4.99,3.08,;-3.65,3.85,;-2.32,1.54,;-2.32,3.08,;-.99,.77,;-.99,-.77,;-2.32,-1.54,)|
C=CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
Cc1nc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:29.32,wD:25.26,(-3.54,1.56,;-3.54,3.1,;-4.88,3.87,;-4.88,5.41,;-6.21,6.18,;-7.54,5.41,;-8.88,6.18,;-10.21,5.41,;-10.21,3.87,;-8.88,3.1,;-7.54,3.87,;-3.54,6.18,;-2.21,5.41,;-2.21,3.87,;-.88,3.1,;-.88,1.56,;-2.21,.79,;-2.21,-.75,;-.88,-1.52,;.46,-.75,;1.95,-1.15,;2.88,.47,;4.42,.47,;5.19,1.8,;5.19,-.87,;6.73,-.87,;7.64,.38,;9.1,-.1,;9.1,-1.64,;7.64,-2.11,;7.24,-3.6,;8.33,-4.69,;7.93,-6.18,;9.81,-4.29,;10.21,-2.8,;1.79,1.56,;1.79,3.1,;.46,3.87,;.46,5.41,;.46,.79,)|
Cc1cc(Oc2ccccn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:29.32,25.26,(-1.22,3.38,;-2.55,2.61,;-3.89,3.38,;-5.22,2.61,;-6.56,3.38,;-7.89,2.61,;-9.22,3.38,;-10.56,2.61,;-10.56,1.07,;-9.22,.3,;-7.89,1.07,;-5.22,1.07,;-3.89,.3,;-2.55,1.07,;-1.22,.3,;-1.22,-1.24,;-2.55,-2.01,;-2.55,-3.55,;-1.22,-4.32,;.11,-3.55,;1.6,-3.95,;2.53,-2.33,;4.07,-2.33,;4.85,-3.66,;4.85,-.99,;6.38,-.99,;7.29,-2.24,;8.75,-1.76,;8.75,-.22,;7.29,.25,;6.89,1.74,;7.98,2.83,;7.58,4.32,;9.47,2.43,;10.56,3.52,;1.45,-1.24,;1.45,.3,;.11,1.07,;.11,2.61,;.11,-2.01,)|
Cc1cc(OC2CCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:28.31,23.24,(-1.07,6.19,;-2.4,5.42,;-3.73,6.19,;-5.07,5.42,;-6.4,6.19,;-7.73,5.42,;-9.22,5.82,;-9.62,4.33,;-8.13,3.93,;-5.07,3.88,;-3.73,3.11,;-2.4,3.88,;-1.07,3.11,;-1.07,1.57,;-2.4,.8,;-2.4,-.74,;-1.07,-1.51,;.27,-.74,;1.76,-1.14,;2.69,.48,;4.23,.48,;5,1.81,;5,-.85,;6.54,-.85,;7.31,.48,;8.85,.48,;9.62,-.85,;8.85,-2.19,;7.31,-2.19,;6.54,-3.52,;7.31,-4.86,;6.54,-6.19,;8.85,-4.86,;9.62,-3.52,;1.6,1.57,;1.6,3.11,;.27,3.88,;.27,5.42,;.27,.8,)|
CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:27.29,22.22,(-9.34,6.19,;-8.01,5.42,;-8.01,3.88,;-6.68,6.19,;-5.34,5.42,;-4.01,6.19,;-2.68,5.42,;-1.34,6.19,;-2.68,3.88,;-4.01,3.11,;-5.34,3.88,;-1.34,3.11,;-1.34,1.57,;-2.68,.8,;-2.68,-.74,;-1.34,-1.51,;-.01,-.74,;1.48,-1.14,;2.41,.48,;3.95,.48,;4.72,1.81,;4.72,-.85,;6.26,-.85,;7.03,.48,;8.57,.48,;9.34,-.85,;8.57,-2.19,;7.03,-2.19,;6.26,-3.52,;7.03,-4.86,;6.26,-6.19,;8.57,-4.86,;9.34,-3.52,;1.33,1.57,;1.33,3.11,;-.01,3.88,;-.01,5.42,;-.01,.8,)|
Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:29.32,24.25,(-.82,6.19,;-2.16,5.42,;-3.49,6.19,;-4.83,5.42,;-6.16,6.19,;-7.49,5.42,;-8.96,5.89,;-9.86,4.65,;-8.96,3.4,;-7.49,3.88,;-4.83,3.88,;-3.49,3.11,;-2.16,3.88,;-.82,3.11,;-.82,1.57,;-2.16,.8,;-2.16,-.74,;-.82,-1.51,;.51,-.74,;2,-1.14,;2.93,.48,;4.47,.48,;5.24,1.81,;5.24,-.85,;6.78,-.85,;7.55,.48,;9.09,.48,;9.86,-.85,;9.09,-2.19,;7.55,-2.19,;6.78,-3.52,;7.55,-4.86,;6.78,-6.19,;9.09,-4.86,;9.86,-3.52,;1.84,1.57,;1.84,3.11,;.51,3.88,;.51,5.42,;.51,.8,)|
Cc1cc(Oc2ncccn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:29.32,25.26,(-1.22,3.38,;-2.55,2.61,;-3.89,3.38,;-5.22,2.61,;-6.56,3.38,;-7.89,2.61,;-9.22,3.38,;-10.56,2.61,;-10.56,1.07,;-9.22,.3,;-7.89,1.07,;-5.22,1.07,;-3.89,.3,;-2.55,1.07,;-1.22,.3,;-1.22,-1.24,;-2.55,-2.01,;-2.55,-3.55,;-1.22,-4.32,;.11,-3.55,;1.6,-3.95,;2.53,-2.33,;4.07,-2.33,;4.85,-3.66,;4.85,-.99,;6.38,-.99,;7.29,-2.24,;8.75,-1.76,;8.75,-.22,;7.29,.25,;6.89,1.74,;7.98,2.83,;7.58,4.32,;9.47,2.43,;10.56,3.52,;1.45,-1.24,;1.45,.3,;.11,1.07,;.11,2.61,;.11,-2.01,)|
CC(C)COc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:28.30,23.23,(-9.97,4.17,;-8.88,5.26,;-9.28,6.75,;-7.39,4.86,;-6.06,5.63,;-4.72,4.86,;-3.39,5.63,;-2.05,4.86,;-.72,5.63,;-2.05,3.32,;-3.39,2.55,;-4.72,3.32,;-.72,2.55,;-.72,1.01,;-2.05,.24,;-2.05,-1.3,;-.72,-2.07,;.61,-1.3,;2.1,-1.7,;3.04,-.08,;4.58,-.08,;5.35,1.26,;5.35,-1.41,;6.89,-1.41,;7.66,-.08,;9.2,-.08,;9.97,-1.41,;9.2,-2.75,;7.66,-2.75,;6.89,-4.08,;7.66,-5.41,;6.89,-6.75,;9.2,-5.41,;9.97,-4.08,;1.95,1.01,;1.95,2.55,;.61,3.32,;.61,4.86,;.61,.24,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CC[C@@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:28.32,wD:25.26,(-2.99,3.85,;-4.32,3.08,;-5.65,3.85,;-6.99,3.08,;-8.32,3.85,;-9.66,3.08,;-10.99,3.85,;-12.32,3.08,;-12.32,1.54,;-10.99,.77,;-9.66,1.54,;-6.99,1.54,;-5.65,.77,;-4.32,1.54,;-2.99,.77,;-2.99,-.77,;-4.32,-1.54,;-4.32,-3.08,;-2.99,-3.85,;-1.65,-3.08,;-.17,-3.48,;.77,-1.86,;2.31,-1.86,;3.08,-3.19,;3.08,-.53,;4.62,-.53,;5.52,-1.77,;6.99,-1.3,;6.99,.24,;5.52,.72,;8.32,1.01,;9.66,.24,;9.66,-1.3,;10.99,1.01,;12.32,.24,;-.32,-.77,;-.32,.77,;-1.65,1.54,;-1.65,3.08,;-1.65,-1.54,)|
C=CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CC(=O)N[C@@H]1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.9,wD:4.3,(11.63,.56,;10.3,-.21,;10.3,-1.75,;8.96,.56,;7.63,-.21,;7.63,-1.75,;6.16,-2.22,;5.26,-.98,;6.16,.27,;3.72,-.98,;2.95,-2.31,;3.72,-3.64,;1.41,-2.31,;.5,-3.56,;-.96,-3.08,;-2.29,-3.85,;-3.63,-3.08,;-3.63,-1.54,;-2.29,-.77,;-2.29,.77,;-3.63,1.54,;-4.96,.77,;-6.3,1.54,;-6.3,3.08,;-7.63,3.85,;-8.96,3.08,;-10.3,3.85,;-11.63,3.08,;-11.63,1.54,;-10.3,.77,;-8.96,1.54,;-4.96,3.85,;-3.63,3.08,;-2.29,3.85,;-.96,1.54,;-.96,3.08,;.37,.77,;.37,-.77,;-.96,-1.54,)|
CNCC(=O)N[C@@H]1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:9.11,wD:6.5,(12.96,.56,;11.63,-.21,;10.3,.56,;8.96,-.21,;8.96,-1.75,;7.63,.56,;6.3,-.21,;6.3,-1.75,;4.83,-2.22,;3.93,-.98,;4.83,.27,;2.39,-.98,;1.62,-2.31,;2.39,-3.64,;.08,-2.31,;-.83,-3.56,;-2.29,-3.08,;-3.63,-3.85,;-4.96,-3.08,;-4.96,-1.54,;-3.63,-.77,;-3.63,.77,;-4.96,1.54,;-6.3,.77,;-7.63,1.54,;-7.63,3.08,;-8.96,3.85,;-10.3,3.08,;-11.63,3.85,;-12.96,3.08,;-12.96,1.54,;-11.63,.77,;-10.3,1.54,;-6.3,3.85,;-4.96,3.08,;-3.63,3.85,;-2.29,1.54,;-2.29,3.08,;-.96,.77,;-.96,-.77,;-2.29,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@@H](N)C4)c([nH]c1=O)c23 |r,wD:25.26,29.31,(-.65,4.41,;-1.98,3.64,;-3.32,4.41,;-4.65,3.64,;-5.98,4.41,;-7.32,3.64,;-8.65,4.41,;-9.98,3.64,;-9.98,2.1,;-8.65,1.33,;-7.32,2.1,;-4.65,2.1,;-3.32,1.33,;-1.98,2.1,;-.65,1.33,;-.65,-.21,;-1.98,-.98,;-1.98,-2.52,;-.65,-3.29,;.68,-2.52,;2.15,-2.99,;3.05,-1.75,;4.59,-1.75,;5.36,-.41,;5.36,-3.08,;6.9,-3.08,;7.67,-4.41,;9.21,-4.41,;9.98,-3.08,;9.21,-1.75,;9.98,-.41,;7.67,-1.75,;2.02,-.21,;2.02,1.33,;.68,2.1,;.68,3.64,;.68,-.98,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,wD:29.33,(-2.57,4.41,;-3.91,3.64,;-5.24,4.41,;-6.57,3.64,;-7.91,4.41,;-9.24,3.64,;-10.58,4.41,;-11.91,3.64,;-11.91,2.1,;-10.58,1.33,;-9.24,2.1,;-6.57,2.1,;-5.24,1.33,;-3.91,2.1,;-2.57,1.33,;-2.57,-.21,;-3.91,-.98,;-3.91,-2.52,;-2.57,-3.29,;-1.24,-2.52,;.22,-2.99,;1.13,-1.75,;2.67,-1.75,;3.44,-3.08,;3.44,-.41,;4.98,-.41,;5.75,.92,;7.29,.92,;8.06,-.41,;7.29,-1.75,;5.75,-1.75,;8.06,-3.08,;9.6,-3.08,;10.37,-1.75,;10.37,-4.41,;11.91,-4.41,;.09,-.21,;.09,1.33,;-1.24,2.1,;-1.24,3.64,;-1.24,-.98,)|
C=CC(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H]4N)c([nH]c1=O)c23 |r,wU:29.32,wD:25.26,(-2.96,-.77,;-2.96,.77,;-4.29,1.54,;-4.29,3.08,;-5.63,3.85,;-6.96,3.08,;-8.3,3.85,;-9.63,3.08,;-9.63,1.54,;-8.3,.77,;-6.96,1.54,;-2.96,3.85,;-1.63,3.08,;-1.63,1.54,;-.29,.77,;-.29,-.77,;-1.63,-1.54,;-1.63,-3.08,;-.29,-3.85,;1.04,-3.08,;2.5,-3.56,;3.41,-2.31,;4.95,-2.31,;5.72,-3.64,;5.72,-.98,;7.26,-.98,;8.16,.27,;9.63,-.21,;9.63,-1.75,;8.16,-2.22,;7.69,-3.69,;2.37,-.77,;2.37,.77,;1.04,1.54,;1.04,3.08,;1.04,-1.54,)|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(OC5CCOCC5)cc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@H](C4)NC(=O)CN)c([nH]c1=O)c23 |r,wU:25.26,wD:28.32,(-2.96,3.85,;-4.3,3.08,;-5.63,3.85,;-6.96,3.08,;-8.3,3.85,;-9.63,3.08,;-10.96,3.85,;-12.3,3.08,;-12.3,1.54,;-10.96,.77,;-9.63,1.54,;-6.96,1.54,;-5.63,.77,;-4.3,1.54,;-2.96,.77,;-2.96,-.77,;-4.3,-1.54,;-4.3,-3.08,;-2.96,-3.85,;-1.63,-3.08,;-.16,-3.56,;.74,-2.31,;2.28,-2.31,;3.05,-3.64,;3.05,-.98,;4.59,-.98,;5.5,-2.22,;6.96,-1.75,;6.96,-.21,;5.5,.27,;8.3,.56,;9.63,-.21,;9.63,-1.75,;10.96,.56,;12.3,-.21,;-.29,-.77,;-.29,.77,;-1.63,1.54,;-1.63,3.08,;-1.63,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@@H](N)C4)c([nH]c1=O)c23 |r,wU:25.26,wD:28.30,(-.96,3.85,;-2.29,3.08,;-3.63,3.85,;-4.96,3.08,;-6.3,3.85,;-7.63,3.08,;-8.96,3.85,;-10.3,3.08,;-10.3,1.54,;-8.96,.77,;-7.63,1.54,;-4.96,1.54,;-3.63,.77,;-2.29,1.54,;-.96,.77,;-.96,-.77,;-2.29,-1.54,;-2.29,-3.08,;-.96,-3.85,;.37,-3.08,;1.84,-3.56,;2.74,-2.31,;4.28,-2.31,;5.05,-3.64,;5.05,-.98,;6.59,-.98,;7.5,-2.22,;8.96,-1.75,;8.96,-.21,;10.3,.56,;7.5,.27,;1.71,-.77,;1.71,.77,;.37,1.54,;.37,3.08,;.37,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:29.33,25.26,(-2.57,4.41,;-3.91,3.64,;-5.24,4.41,;-6.57,3.64,;-7.91,4.41,;-9.24,3.64,;-10.58,4.41,;-11.91,3.64,;-11.91,2.1,;-10.58,1.33,;-9.24,2.1,;-6.57,2.1,;-5.24,1.33,;-3.91,2.1,;-2.57,1.33,;-2.57,-.21,;-3.91,-.98,;-3.91,-2.52,;-2.57,-3.29,;-1.24,-2.52,;.22,-2.99,;1.13,-1.75,;2.67,-1.75,;3.44,-.41,;3.44,-3.08,;4.98,-3.08,;5.75,-4.41,;7.29,-4.41,;8.06,-3.08,;7.29,-1.75,;5.75,-1.75,;8.06,-.41,;9.6,-.41,;10.37,.92,;10.37,-1.75,;11.91,-1.75,;.09,-.21,;.09,1.33,;-1.24,2.1,;-1.24,3.64,;-1.24,-.98,)|
CC(C)Oc1ccc(c(C)n1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,27.29,(-7.98,4.1,;-7.98,5.64,;-9.32,6.41,;-6.65,6.41,;-5.32,5.64,;-3.98,6.41,;-2.65,5.64,;-2.65,4.1,;-3.98,3.33,;-3.98,1.79,;-5.32,4.1,;-1.32,3.33,;-1.32,1.79,;-2.65,1.02,;-2.65,-.52,;-1.32,-1.29,;.02,-.52,;1.48,-.99,;2.39,.25,;3.93,.25,;4.7,1.59,;4.7,-1.08,;6.24,-1.08,;7.01,.25,;8.55,.25,;9.32,-1.08,;8.55,-2.41,;7.01,-2.41,;6.24,-3.75,;7.01,-5.08,;6.24,-6.41,;8.55,-5.08,;9.32,-3.75,;1.35,1.79,;1.35,3.33,;.02,4.1,;.02,5.64,;.02,1.02,)|
C=CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@H](N)C4)c([nH]c1=O)c23 |r,wD:25.26,28.30,(-.96,3.85,;-2.29,3.08,;-3.63,3.85,;-4.96,3.08,;-6.3,3.85,;-7.63,3.08,;-8.96,3.85,;-10.3,3.08,;-10.3,1.54,;-8.96,.77,;-7.63,1.54,;-4.96,1.54,;-3.63,.77,;-2.29,1.54,;-.96,.77,;-.96,-.77,;-2.29,-1.54,;-2.29,-3.08,;-.96,-3.85,;.37,-3.08,;1.84,-3.56,;2.74,-2.31,;4.28,-2.31,;5.05,-3.64,;5.05,-.98,;6.59,-.98,;7.5,.27,;8.96,-.21,;8.96,-1.75,;10.3,-2.52,;7.5,-2.22,;1.71,-.77,;1.71,.77,;.37,1.54,;.37,3.08,;.37,-1.54,)|
CC(=O)N[C@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:4.3,wD:7.9,(10.78,3.17,;9.56,2.23,;8.15,2.84,;9.72,.7,;8.48,-.21,;8.48,-1.75,;7.01,-2.22,;6.11,-.98,;7.01,.27,;4.57,-.98,;3.8,-2.31,;4.57,-3.64,;2.26,-2.31,;1.35,-3.56,;-.11,-3.08,;-1.45,-3.85,;-2.78,-3.08,;-2.78,-1.54,;-1.45,-.77,;-1.45,.77,;-2.78,1.54,;-4.11,.77,;-5.45,1.54,;-5.45,3.08,;-6.78,3.85,;-8.11,3.08,;-9.45,3.85,;-10.78,3.08,;-10.78,1.54,;-9.45,.77,;-8.11,1.54,;-4.11,3.85,;-2.78,3.08,;-1.45,3.85,;-.11,1.54,;-.11,3.08,;1.22,.77,;1.22,-.77,;-.11,-1.54,)|
Cc1nc(OC2CCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:23.24,28.31,(-3.71,1.79,;-3.71,3.33,;-5.04,4.1,;-5.04,5.64,;-6.37,6.41,;-7.71,5.64,;-9.2,6.04,;-9.59,4.56,;-8.11,4.16,;-3.71,6.41,;-2.37,5.64,;-2.37,4.1,;-1.04,3.33,;-1.04,1.79,;-2.37,1.02,;-2.37,-.52,;-1.04,-1.29,;.29,-.52,;1.76,-.99,;2.66,.25,;4.2,.25,;4.97,1.59,;4.97,-1.08,;6.51,-1.08,;7.28,.25,;8.82,.25,;9.59,-1.08,;8.82,-2.41,;7.28,-2.41,;6.51,-3.75,;7.28,-5.08,;6.51,-6.41,;8.82,-5.08,;9.59,-3.75,;1.63,1.79,;1.63,3.33,;.29,4.1,;.29,5.64,;.29,1.02,)|
CC(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:8.10,wD:4.3,(11.15,-4.41,;10.38,-3.08,;11.15,-1.75,;8.84,-3.08,;8.07,-1.75,;8.84,-.41,;8.07,.92,;6.53,.92,;5.76,-.41,;6.53,-1.75,;4.22,-.41,;3.45,-1.75,;4.22,-3.08,;1.91,-1.75,;1,-2.99,;-.46,-2.52,;-1.8,-3.29,;-3.13,-2.52,;-3.13,-.98,;-1.8,-.21,;-1.81,1.33,;-3.15,2.1,;-4.48,1.33,;-5.81,2.1,;-5.81,3.64,;-7.15,4.41,;-8.48,3.64,;-9.81,4.41,;-11.15,3.64,;-11.15,2.1,;-9.81,1.33,;-8.48,2.1,;-4.48,4.41,;-3.15,3.64,;-1.81,4.41,;-.46,2.1,;-.46,3.64,;.87,1.33,;.87,-.21,;-.46,-.98,)|
CC(=O)N[C@H]1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.9,4.3,(10.79,3.17,;9.57,2.23,;8.16,2.84,;9.73,.7,;8.49,-.21,;8.49,-1.75,;7.02,-2.22,;6.12,-.98,;7.02,.27,;4.58,-.98,;3.81,-2.31,;4.58,-3.64,;2.27,-2.31,;1.36,-3.56,;-.1,-3.08,;-1.44,-3.85,;-2.77,-3.08,;-2.77,-1.54,;-1.44,-.77,;-1.45,.77,;-2.79,1.54,;-4.12,.77,;-5.45,1.54,;-5.45,3.08,;-6.79,3.85,;-8.12,3.08,;-9.46,3.85,;-10.79,3.08,;-10.79,1.54,;-9.46,.77,;-8.12,1.54,;-4.12,3.85,;-2.79,3.08,;-1.45,3.85,;-.1,1.54,;-.1,3.08,;1.23,.77,;1.23,-.77,;-.1,-1.54,)|
CN(C)CC(=O)N[C@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.6,wD:10.12,(12.97,.56,;11.64,-.21,;11.64,-1.75,;10.3,.56,;8.97,-.21,;8.97,-1.75,;7.64,.56,;6.3,-.21,;6.3,-1.75,;4.84,-2.22,;3.93,-.98,;4.84,.27,;2.39,-.98,;1.62,-2.31,;2.39,-3.64,;.08,-2.31,;-.82,-3.56,;-2.29,-3.08,;-3.62,-3.85,;-4.95,-3.08,;-4.95,-1.54,;-3.62,-.77,;-3.64,.77,;-4.97,1.54,;-6.3,.77,;-7.64,1.54,;-7.64,3.08,;-8.97,3.85,;-10.3,3.08,;-11.64,3.85,;-12.97,3.08,;-12.97,1.54,;-11.64,.77,;-10.3,1.54,;-6.3,3.85,;-4.97,3.08,;-3.64,3.85,;-2.29,1.54,;-2.28,3.08,;-.95,.77,;-.95,-.77,;-2.29,-1.54,)|
CNCC(=O)N[C@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:6.5,wD:9.11,(12.97,.56,;11.64,-.21,;10.3,.56,;8.97,-.21,;8.97,-1.75,;7.64,.56,;6.3,-.21,;6.3,-1.75,;4.84,-2.22,;3.93,-.98,;4.84,.27,;2.39,-.98,;1.62,-2.31,;2.39,-3.64,;.08,-2.31,;-.82,-3.56,;-2.29,-3.08,;-3.62,-3.85,;-4.95,-3.08,;-4.95,-1.54,;-3.62,-.77,;-3.64,.77,;-4.97,1.54,;-6.3,.77,;-7.64,1.54,;-7.64,3.08,;-8.97,3.85,;-10.3,3.08,;-11.64,3.85,;-12.97,3.08,;-12.97,1.54,;-11.64,.77,;-10.3,1.54,;-6.3,3.85,;-4.97,3.08,;-3.64,3.85,;-2.29,1.54,;-2.28,3.08,;-.95,.77,;-.95,-.77,;-2.29,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@H](N)C4)c([nH]c1=O)c23 |r,wU:25.26,wD:29.31,(-.66,3.85,;-1.99,3.08,;-3.32,3.85,;-4.66,3.08,;-5.99,3.85,;-7.33,3.08,;-8.66,3.85,;-9.99,3.08,;-9.99,1.54,;-8.66,.77,;-7.33,1.54,;-4.66,1.54,;-3.32,.77,;-1.99,1.54,;-.66,.77,;-.64,-.77,;-1.97,-1.54,;-1.97,-3.08,;-.64,-3.85,;.69,-3.08,;2.16,-3.56,;3.06,-2.31,;4.6,-2.31,;5.37,-3.64,;5.37,-.98,;6.91,-.98,;7.68,.36,;9.22,.36,;9.99,-.98,;9.22,-2.31,;9.99,-3.64,;7.68,-2.31,;2.03,-.77,;2.03,.77,;.69,1.54,;.7,3.08,;.69,-1.54,)|
CN(C)C\C=C\C(=O)N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)c(Cl)c4)c(=O)[nH]c1c23 |r|
N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CNCC(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:6.5,wD:10.12,(12.3,-3.08,;11.53,-1.75,;9.99,-1.75,;9.22,-.41,;9.99,.92,;7.68,-.41,;6.91,-1.75,;7.68,-3.08,;6.91,-4.41,;5.37,-4.41,;4.6,-3.08,;5.37,-1.75,;3.06,-3.08,;2.29,-1.75,;3.06,-.41,;.75,-1.75,;-.15,-2.99,;-1.62,-2.52,;-2.95,-3.29,;-4.28,-2.52,;-4.28,-.98,;-2.95,-.21,;-2.97,1.33,;-4.3,2.1,;-5.63,1.33,;-6.97,2.1,;-6.97,3.64,;-8.3,4.41,;-9.64,3.64,;-10.97,4.41,;-12.3,3.64,;-12.3,2.1,;-10.97,1.33,;-9.64,2.1,;-5.63,4.41,;-4.3,3.64,;-2.97,4.41,;-1.62,2.1,;-1.61,3.64,;-.28,1.33,;-.28,-.21,;-1.62,-.98,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@@H](C4)NC(=O)CN)c([nH]c1=O)c23 |r,wU:29.33,wD:25.26,(-2.58,4.41,;-3.92,3.64,;-5.25,4.41,;-6.58,3.64,;-7.92,4.41,;-9.25,3.64,;-10.58,4.41,;-11.92,3.64,;-11.92,2.1,;-10.58,1.33,;-9.25,2.1,;-6.58,2.1,;-5.25,1.33,;-3.92,2.1,;-2.58,1.33,;-2.57,-.21,;-3.9,-.98,;-3.9,-2.52,;-2.57,-3.29,;-1.23,-2.52,;.23,-2.99,;1.14,-1.75,;2.68,-1.75,;3.45,-.41,;3.45,-3.08,;4.99,-3.08,;5.76,-4.41,;7.3,-4.41,;8.07,-3.08,;7.3,-1.75,;5.76,-1.75,;8.07,-.41,;9.61,-.41,;10.38,.92,;10.38,-1.75,;11.92,-1.75,;.1,-.21,;.1,1.33,;-1.23,2.1,;-1.23,3.64,;-1.23,-.98,)|
CN(C)CC(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.6,wD:11.13,(12.3,-3.08,;11.53,-1.75,;12.3,-.41,;9.99,-1.75,;9.22,-.41,;9.99,.92,;7.68,-.41,;6.91,-1.75,;7.68,-3.08,;6.91,-4.41,;5.37,-4.41,;4.6,-3.08,;5.37,-1.75,;3.06,-3.08,;2.29,-1.75,;3.06,-.41,;.75,-1.75,;-.15,-2.99,;-1.62,-2.52,;-2.95,-3.29,;-4.28,-2.52,;-4.28,-.98,;-2.95,-.21,;-2.97,1.33,;-4.3,2.1,;-5.63,1.33,;-6.97,2.1,;-6.97,3.64,;-8.3,4.41,;-9.64,3.64,;-10.97,4.41,;-12.3,3.64,;-12.3,2.1,;-10.97,1.33,;-9.64,2.1,;-5.63,4.41,;-4.3,3.64,;-2.97,4.41,;-1.62,2.1,;-1.61,3.64,;-.28,1.33,;-.28,-.21,;-1.62,-.98,)|
CC(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:4.3,wD:8.10,(11.15,-1.75,;10.38,-.41,;11.15,.92,;8.84,-.41,;8.07,-1.75,;8.84,-3.08,;8.07,-4.41,;6.53,-4.41,;5.76,-3.08,;6.53,-1.75,;4.22,-3.08,;3.45,-1.75,;4.22,-.41,;1.91,-1.75,;1,-2.99,;-.46,-2.52,;-1.8,-3.29,;-3.13,-2.52,;-3.13,-.98,;-1.8,-.21,;-1.81,1.33,;-3.15,2.1,;-4.48,1.33,;-5.81,2.1,;-5.81,3.64,;-7.15,4.41,;-8.48,3.64,;-9.81,4.41,;-11.15,3.64,;-11.15,2.1,;-9.81,1.33,;-8.48,2.1,;-4.48,4.41,;-3.15,3.64,;-1.81,4.41,;-.46,2.1,;-.46,3.64,;.87,1.33,;.87,-.21,;-.46,-.98,)|
Cc1nc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4N)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-.3,5.1,;-1.64,4.33,;-2.97,5.1,;-4.3,4.33,;-5.64,5.1,;-6.97,4.33,;-8.3,5.1,;-9.64,4.33,;-9.64,2.79,;-8.3,2.02,;-6.97,2.79,;-4.3,2.79,;-2.97,2.02,;-1.64,2.79,;-.3,2.02,;-.29,.48,;-1.62,-.29,;-1.62,-1.83,;-.29,-2.6,;1.05,-1.83,;2.51,-2.3,;3.42,-1.06,;4.96,-1.06,;5.73,.28,;5.73,-2.39,;7.27,-2.39,;8.17,-1.15,;9.64,-1.62,;9.64,-3.16,;8.17,-3.64,;7.7,-5.1,;2.38,.48,;2.38,2.02,;1.05,2.79,;1.05,4.33,;1.05,-.29,)|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@H]4N)c([nH]c1=O)c23 |r,wU:30.33,wD:25.26,(-3.32,-.77,;-3.32,.77,;-4.66,1.54,;-4.66,3.08,;-5.99,3.85,;-7.33,3.08,;-8.66,3.85,;-9.99,3.08,;-9.99,1.54,;-8.66,.77,;-7.33,1.54,;-3.32,3.85,;-1.99,3.08,;-1.99,1.54,;-.66,.77,;-.64,-.77,;-1.97,-1.54,;-1.97,-3.08,;-.64,-3.85,;.69,-3.08,;2.16,-3.56,;3.06,-2.31,;4.6,-2.31,;5.37,-3.64,;5.37,-.98,;6.91,-.98,;7.68,.36,;9.22,.36,;9.99,-.98,;9.22,-2.31,;7.68,-2.31,;6.91,-3.64,;2.03,-.77,;2.03,.77,;.69,1.54,;.7,3.08,;.69,-1.54,)|
Cc1nc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H]4N)c([nH]c1=O)c23 |r,wU:29.32,wD:25.26,(-2.97,.48,;-2.97,2.02,;-4.3,2.79,;-4.3,4.33,;-5.64,5.1,;-6.97,4.33,;-8.3,5.1,;-9.64,4.33,;-9.64,2.79,;-8.3,2.02,;-6.97,2.79,;-2.97,5.1,;-1.64,4.33,;-1.64,2.79,;-.3,2.02,;-.29,.48,;-1.62,-.29,;-1.62,-1.83,;-.29,-2.6,;1.05,-1.83,;2.51,-2.3,;3.42,-1.06,;4.96,-1.06,;5.73,.28,;5.73,-2.39,;7.27,-2.39,;8.17,-1.15,;9.64,-1.62,;9.64,-3.16,;8.17,-3.64,;7.7,-5.1,;2.38,.48,;2.38,2.02,;1.05,2.79,;1.05,4.33,;1.05,-.29,)|
N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
CC(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CC[C@H](N)C4)c([nH]c1=O)c23 |r,wU:28.30,wD:25.26,(-.99,3.85,;-2.32,3.08,;-3.65,3.85,;-4.99,3.08,;-6.32,3.85,;-7.66,3.08,;-8.99,3.85,;-10.32,3.08,;-10.32,1.54,;-8.99,.77,;-7.66,1.54,;-4.99,1.54,;-3.65,.77,;-2.32,1.54,;-.99,.77,;-.99,-.77,;-2.32,-1.54,;-2.32,-3.08,;-.99,-3.85,;.35,-3.08,;1.83,-3.48,;2.77,-1.86,;4.31,-1.86,;5.08,-3.19,;5.08,-.53,;6.62,-.53,;7.52,-1.77,;8.99,-1.3,;8.99,.24,;10.32,1.01,;7.52,.72,;1.68,-.77,;1.68,.77,;.35,1.54,;.35,3.08,;.35,-1.54,)|
N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H](N)C4)c([nH]c1=O)c23 |r,wU:25.26,29.31,(-.68,4.19,;-2.01,3.42,;-3.34,4.19,;-4.68,3.42,;-6.01,4.19,;-7.34,3.42,;-8.68,4.19,;-10.01,3.42,;-10.01,1.88,;-8.68,1.11,;-7.34,1.88,;-4.68,1.88,;-3.34,1.11,;-2.01,1.88,;-.68,1.11,;-.68,-.43,;-2.01,-1.2,;-2.01,-2.74,;-.68,-3.51,;.66,-2.74,;2.15,-3.14,;3.08,-1.52,;4.62,-1.52,;5.39,-.19,;5.39,-2.85,;6.93,-2.85,;7.7,-4.19,;9.24,-4.19,;10.01,-2.85,;9.24,-1.52,;10.01,-.19,;7.7,-1.52,;1.99,-.43,;1.99,1.11,;.66,1.88,;.66,3.42,;.66,-1.2,)|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4N)c([nH]c1=O)c23 |r,wD:26.28,22.22,(-8.99,4.89,;-7.66,4.12,;-7.66,2.58,;-6.32,4.89,;-4.99,4.12,;-4.99,2.58,;-3.65,1.81,;-2.32,2.58,;-2.32,4.12,;-.99,4.89,;-3.65,4.89,;-.99,1.81,;-.99,.27,;-2.32,-.5,;-2.32,-2.04,;-.99,-2.81,;.35,-2.04,;1.83,-2.44,;2.77,-.82,;4.31,-.82,;5.08,.51,;5.08,-2.15,;6.62,-2.15,;7.52,-.91,;8.99,-1.38,;8.99,-2.92,;7.52,-3.4,;7.13,-4.89,;1.68,.27,;1.68,1.81,;.35,2.58,;.35,4.12,;.35,-.5,)|
N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:22.22,wD:27.29,(-9.34,3.37,;-8.01,2.6,;-8.01,1.06,;-6.68,3.37,;-5.34,2.6,;-5.34,1.06,;-4.01,.29,;-2.68,1.06,;-2.68,2.6,;-1.34,3.37,;-4.01,3.37,;-1.34,.29,;-1.34,-1.25,;-2.68,-2.02,;-2.68,-3.56,;-1.34,-4.33,;-.01,-3.56,;1.48,-3.96,;2.41,-2.34,;3.95,-2.34,;4.72,-3.67,;4.72,-1.01,;6.26,-1.01,;7.03,-2.34,;8.57,-2.34,;9.34,-1.01,;8.57,.33,;7.03,.33,;6.26,1.66,;7.03,3,;6.26,4.33,;8.57,3,;9.34,1.66,;1.33,-1.25,;1.33,.29,;-.01,1.06,;-.01,2.6,;-.01,-2.02,)|
N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
Cc1cc(OC2CCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:23.24,28.31,(-1.07,6.19,;-2.4,5.42,;-3.73,6.19,;-5.07,5.42,;-6.4,6.19,;-7.73,5.42,;-9.22,5.82,;-9.62,4.33,;-8.13,3.93,;-5.07,3.88,;-3.73,3.11,;-2.4,3.88,;-1.07,3.11,;-1.07,1.57,;-2.4,.8,;-2.4,-.74,;-1.07,-1.51,;.27,-.74,;1.76,-1.14,;2.69,.48,;4.23,.48,;5,1.81,;5,-.85,;6.54,-.85,;7.31,.48,;8.85,.48,;9.62,-.85,;8.85,-2.19,;7.31,-2.19,;6.54,-3.52,;7.31,-4.86,;6.54,-6.19,;8.85,-4.86,;9.62,-3.52,;1.6,1.57,;1.6,3.11,;.27,3.88,;.27,5.42,;.27,.8,)|
N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cc(ccn4)-c4ccccc4)c(=O)[nH]c1c23 |r|
N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
CC(C)c1cc(ccn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4N)c([nH]c1=O)c23 |r|
CC(C)Oc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4N)c([nH]c1=O)c23 |r|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:27.29,wD:22.22,(-9.34,3.37,;-8.01,2.6,;-8.01,1.06,;-6.68,3.37,;-5.34,2.6,;-5.34,1.06,;-4.01,.29,;-2.68,1.06,;-2.68,2.6,;-1.34,3.37,;-4.01,3.37,;-1.34,.29,;-1.34,-1.25,;-2.68,-2.02,;-2.68,-3.56,;-1.34,-4.33,;-.01,-3.56,;1.48,-3.96,;2.41,-2.34,;3.95,-2.34,;4.72,-3.67,;4.72,-1.01,;6.26,-1.01,;7.03,-2.34,;8.57,-2.34,;9.34,-1.01,;8.57,.33,;7.03,.33,;6.26,1.66,;7.03,3,;6.26,4.33,;8.57,3,;9.34,1.66,;1.33,-1.25,;1.33,.29,;-.01,1.06,;-.01,2.6,;-.01,-2.02,)|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:22.22,wD:26.29,(-11.27,4.19,;-9.94,3.42,;-9.94,1.88,;-8.6,4.19,;-7.27,3.42,;-7.27,1.88,;-5.93,1.11,;-4.6,1.88,;-4.6,3.42,;-3.27,4.19,;-5.93,4.19,;-3.27,1.11,;-3.27,-.43,;-4.6,-1.2,;-4.6,-2.74,;-3.27,-3.51,;-1.93,-2.74,;-.45,-3.14,;.49,-1.52,;2.03,-1.52,;2.8,-2.85,;2.8,-.19,;4.34,-.19,;5.11,1.15,;6.65,1.15,;7.42,-.19,;6.65,-1.52,;5.11,-1.52,;7.42,-2.85,;8.96,-2.85,;9.73,-1.52,;9.73,-4.19,;11.27,-4.19,;-.6,-.43,;-.6,1.11,;-1.93,1.88,;-1.93,3.42,;-1.93,-1.2,)|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,26.29,(-11.27,4.19,;-9.94,3.42,;-9.94,1.88,;-8.6,4.19,;-7.27,3.42,;-7.27,1.88,;-5.93,1.11,;-4.6,1.88,;-4.6,3.42,;-3.27,4.19,;-5.93,4.19,;-3.27,1.11,;-3.27,-.43,;-4.6,-1.2,;-4.6,-2.74,;-3.27,-3.51,;-1.93,-2.74,;-.45,-3.14,;.49,-1.52,;2.03,-1.52,;2.8,-2.85,;2.8,-.19,;4.34,-.19,;5.11,1.15,;6.65,1.15,;7.42,-.19,;6.65,-1.52,;5.11,-1.52,;7.42,-2.85,;8.96,-2.85,;9.73,-1.52,;9.73,-4.19,;11.27,-4.19,;-.6,-.43,;-.6,1.11,;-1.93,1.88,;-1.93,3.42,;-1.93,-1.2,)|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,25.28,(-11.66,3.85,;-10.32,3.08,;-10.32,1.54,;-8.99,3.85,;-7.66,3.08,;-7.66,1.54,;-6.32,.77,;-4.99,1.54,;-4.99,3.08,;-3.65,3.85,;-6.32,3.85,;-3.65,.77,;-3.65,-.77,;-4.99,-1.54,;-4.99,-3.08,;-3.65,-3.85,;-2.32,-3.08,;-.83,-3.48,;.1,-1.86,;1.64,-1.86,;2.41,-3.19,;2.41,-.53,;3.95,-.53,;4.86,.72,;6.32,.24,;6.32,-1.3,;4.86,-1.77,;7.66,-2.07,;8.99,-1.3,;8.99,.24,;10.32,-2.07,;11.66,-1.3,;-.99,-.77,;-.99,.77,;-2.32,1.54,;-2.32,3.08,;-2.32,-1.54,)|
N[C@@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cnnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cc(ncn4)-c4ccccc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@H]1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cncc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccn4)c(=O)[nH]c1c23 |r|
CNCC(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1cc(OC2CCOCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4N)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-.32,4.81,;-1.65,4.04,;-2.99,4.81,;-4.32,4.04,;-5.65,4.81,;-6.99,4.04,;-8.32,4.81,;-9.66,4.04,;-9.66,2.5,;-8.32,1.73,;-6.99,2.5,;-4.32,2.5,;-2.99,1.73,;-1.65,2.5,;-.32,1.73,;-.32,.19,;-1.65,-.58,;-1.65,-2.12,;-.32,-2.89,;1.01,-2.12,;2.5,-2.52,;3.44,-.9,;4.98,-.9,;5.75,.44,;5.75,-2.23,;7.29,-2.23,;8.19,-.99,;9.66,-1.46,;9.66,-3,;8.19,-3.48,;7.42,-4.81,;2.35,.19,;2.35,1.73,;1.01,2.5,;1.01,4.04,;1.01,-.58,)|
N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(OC5CCOCC5)cc4)c(=O)[nH]c1c23 |r|
N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
N[C@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@@H]1CCC(C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ncc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ncc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
CC(C)Cc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,26.28,(-9.27,5.67,;-7.94,4.9,;-7.94,3.36,;-6.61,5.67,;-5.27,4.9,;-3.94,5.67,;-2.6,4.9,;-1.27,5.67,;-2.6,3.36,;-3.94,2.59,;-5.27,3.36,;-1.27,2.59,;-1.27,1.05,;-2.6,.28,;-2.6,-1.26,;-1.27,-2.03,;.06,-1.26,;1.53,-1.74,;2.43,-.49,;3.97,-.52,;4.72,-1.87,;4.77,.8,;6.31,.8,;7.21,2.04,;8.68,1.57,;8.68,.03,;7.21,-.45,;6.74,-1.91,;7.77,-3.06,;9.27,-2.74,;7.29,-4.52,;8.32,-5.67,;1.4,1.05,;1.4,2.59,;.06,3.36,;.06,4.9,;.06,.28,)|
CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,27.29,(-9.32,6.41,;-7.98,5.64,;-7.98,4.1,;-6.65,6.41,;-5.32,5.64,;-3.98,6.41,;-2.65,5.64,;-1.32,6.41,;-2.65,4.1,;-3.98,3.33,;-5.32,4.1,;-1.32,3.33,;-1.32,1.79,;-2.65,1.02,;-2.65,-.52,;-1.32,-1.29,;.02,-.52,;1.48,-.99,;2.39,.25,;3.93,.25,;4.7,1.59,;4.7,-1.08,;6.24,-1.08,;7.01,.25,;8.55,.25,;9.32,-1.08,;8.55,-2.41,;7.01,-2.41,;6.24,-3.75,;7.01,-5.08,;6.24,-6.41,;8.55,-5.08,;9.32,-3.75,;1.35,1.79,;1.35,3.33,;.02,4.1,;.02,5.64,;.02,1.02,)|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccnc5)cc4)c(=O)[nH]c1c23 |r|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:29.32,wD:25.26,(-3.5,.45,;-3.5,1.99,;-4.83,2.76,;-4.83,4.3,;-6.16,5.07,;-7.5,4.3,;-8.83,5.07,;-10.17,4.3,;-10.17,2.76,;-8.83,1.99,;-7.5,2.76,;-3.5,5.07,;-2.16,4.3,;-2.16,2.76,;-.83,1.99,;-.83,.45,;-2.16,-.32,;-2.16,-1.86,;-.83,-2.63,;.5,-1.86,;1.97,-2.33,;2.87,-1.09,;4.41,-1.09,;5.18,-2.42,;5.18,.25,;6.72,.25,;7.63,1.49,;9.09,1.02,;9.09,-.52,;7.63,-1,;7.15,-2.46,;8.18,-3.61,;7.71,-5.07,;9.69,-3.29,;10.17,-1.82,;1.84,.45,;1.84,1.99,;.5,2.76,;.5,4.3,;.5,-.32,)|
C=CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,30.33,(-3.32,.46,;-3.32,2,;-4.65,2.77,;-4.65,4.31,;-5.98,5.08,;-7.32,4.31,;-8.65,5.08,;-9.98,4.31,;-9.98,2.77,;-8.65,2,;-7.32,2.77,;-3.32,5.08,;-1.98,4.31,;-1.98,2.77,;-.65,2,;-.65,.46,;-1.98,-.31,;-1.98,-1.85,;-.65,-2.62,;.68,-1.85,;2.15,-2.33,;3.05,-1.08,;4.59,-1.08,;5.36,-2.41,;5.36,.25,;6.9,.25,;7.67,1.59,;9.21,1.59,;9.98,.25,;9.21,-1.08,;7.67,-1.08,;6.9,-2.41,;7.67,-3.75,;6.9,-5.08,;9.21,-3.75,;9.98,-2.41,;2.02,.46,;2.02,2,;.68,2.77,;.68,4.31,;.68,-.31,)|
Cc1cc(OC2CCOCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.65,4.37,;-1.98,3.6,;-3.32,4.37,;-4.65,3.6,;-5.99,4.37,;-7.32,3.6,;-8.65,4.37,;-9.99,3.6,;-9.99,2.06,;-8.65,1.29,;-7.32,2.06,;-4.65,2.06,;-3.32,1.29,;-1.98,2.06,;-.65,1.29,;-.65,-.25,;-1.98,-1.02,;-1.98,-2.56,;-.65,-3.33,;.68,-2.56,;2.15,-3.04,;3.05,-1.79,;4.59,-1.79,;5.36,-.46,;5.36,-3.12,;6.9,-3.12,;7.81,-4.37,;9.27,-3.89,;9.27,-2.35,;7.81,-1.88,;7.41,-.39,;8.5,.7,;9.99,.3,;8.1,2.19,;9.19,3.27,;2.02,-.25,;2.02,1.29,;.68,2.06,;.68,3.6,;.68,-1.02,)|
Cc1cc(Oc2cccnn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-1.2,3.61,;-2.53,2.84,;-3.86,3.61,;-5.2,2.84,;-6.53,3.61,;-7.86,2.84,;-7.86,1.3,;-9.2,.53,;-10.53,1.3,;-10.53,2.84,;-9.2,3.61,;-5.2,1.3,;-3.86,.53,;-2.53,1.3,;-1.2,.53,;-1.2,-1.01,;-2.53,-1.78,;-2.53,-3.32,;-1.2,-4.09,;.14,-3.32,;1.6,-3.8,;2.51,-2.55,;4.05,-2.55,;4.82,-3.89,;4.82,-1.22,;6.36,-1.22,;7.26,-2.46,;8.73,-1.99,;8.73,-.45,;7.26,.03,;6.87,1.52,;7.95,2.6,;7.56,4.09,;9.44,2.21,;10.53,3.29,;1.47,-1.01,;1.47,.53,;.14,1.3,;.14,2.84,;.14,-1.78,)|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@H]4CC[C@@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,wD:28.32,(-5.63,-.77,;-5.63,.77,;-6.96,1.54,;-6.96,3.08,;-8.3,3.85,;-9.63,3.08,;-10.96,3.85,;-12.3,3.08,;-12.3,1.54,;-10.96,.77,;-9.63,1.54,;-5.63,3.85,;-4.29,3.08,;-4.29,1.54,;-2.96,.77,;-2.96,-.77,;-4.29,-1.54,;-4.29,-3.08,;-2.96,-3.85,;-1.63,-3.08,;-.16,-3.56,;.74,-2.31,;2.28,-2.31,;3.05,-3.64,;3.05,-.98,;4.59,-.98,;5.5,.27,;6.96,-.21,;6.96,-1.75,;5.5,-2.22,;8.3,-2.52,;9.63,-1.75,;9.63,-.21,;10.96,-2.52,;12.3,-1.75,;-.29,-.77,;-.29,.77,;-1.63,1.54,;-1.63,3.08,;-1.63,-1.54,)|
C=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ncc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,wD:29.33,(-5.24,-.21,;-5.24,1.33,;-6.57,2.1,;-6.57,3.64,;-7.91,4.41,;-9.24,3.64,;-10.58,4.41,;-11.91,3.64,;-11.91,2.1,;-10.58,1.33,;-9.24,2.1,;-5.24,4.41,;-3.91,3.64,;-3.91,2.1,;-2.57,1.33,;-2.57,-.21,;-3.91,-.98,;-3.91,-2.52,;-2.57,-3.29,;-1.24,-2.52,;.22,-2.99,;1.13,-1.75,;2.67,-1.75,;3.44,-3.08,;3.44,-.41,;4.98,-.41,;5.75,.92,;7.29,.92,;8.06,-.41,;7.29,-1.75,;5.75,-1.75,;8.06,-3.08,;9.6,-3.08,;10.37,-4.41,;10.37,-1.75,;11.91,-1.75,;.09,-.21,;.09,1.33,;-1.24,2.1,;-1.24,3.64,;-1.24,-.98,)|
Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:24.25,29.32,(-.78,6.41,;-2.11,5.64,;-3.45,6.41,;-4.78,5.64,;-6.11,6.41,;-7.45,5.64,;-7.53,4.11,;-9.02,3.71,;-9.85,5,;-8.89,6.2,;-4.78,4.1,;-3.45,3.33,;-2.11,4.1,;-.78,3.33,;-.78,1.79,;-2.11,1.02,;-2.11,-.52,;-.78,-1.29,;.55,-.52,;2.02,-.99,;2.92,.25,;4.46,.25,;5.23,1.59,;5.23,-1.08,;6.77,-1.08,;7.54,.25,;9.08,.25,;9.85,-1.08,;9.08,-2.41,;7.54,-2.41,;6.77,-3.75,;7.54,-5.08,;6.77,-6.41,;9.08,-5.08,;9.85,-3.75,;1.89,1.79,;1.89,3.33,;.55,4.1,;.55,5.64,;.55,1.02,)|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
CC(C)COc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:23.23,28.30,(-9.17,7.16,;-8.77,5.67,;-9.86,4.58,;-7.44,4.9,;-6.11,5.67,;-4.77,4.9,;-3.44,5.67,;-2.1,4.9,;-.77,5.67,;-2.1,3.36,;-3.44,2.59,;-4.77,3.36,;-.77,2.59,;-.77,1.05,;-2.1,.28,;-2.1,-1.26,;-.77,-2.03,;.56,-1.26,;2.03,-1.74,;2.93,-.49,;4.47,-.49,;5.24,.84,;5.24,-1.82,;6.78,-1.82,;7.55,-.49,;9.09,-.49,;9.86,-1.82,;9.09,-3.16,;7.55,-3.16,;6.78,-4.49,;7.55,-5.82,;6.78,-7.16,;9.09,-5.82,;9.86,-4.49,;1.9,1.05,;1.9,2.59,;.56,3.36,;.56,4.9,;.56,.28,)|
C=CC(=O)N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:22.22,wD:26.28,(-9.86,3.61,;-8.53,2.84,;-8.53,1.3,;-7.2,3.61,;-5.86,2.84,;-5.86,1.3,;-4.53,.53,;-3.2,1.3,;-3.2,2.84,;-1.86,3.61,;-4.53,3.61,;-1.86,.53,;-1.86,-1.01,;-3.2,-1.78,;-3.2,-3.32,;-1.86,-4.09,;-.53,-3.32,;.94,-3.8,;1.84,-2.55,;3.38,-2.55,;4.15,-3.89,;4.15,-1.22,;5.69,-1.22,;6.6,-2.46,;8.06,-1.99,;8.06,-.45,;6.6,.03,;6.2,1.52,;7.29,2.6,;6.89,4.09,;8.77,2.21,;9.86,3.29,;.81,-1.01,;.81,.53,;-.53,1.3,;-.53,2.84,;-.53,-1.78,)|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4cccnc4)c(=O)[nH]c1c23 |r|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4N)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-.3,5.1,;-1.64,4.33,;-2.97,5.1,;-4.3,4.33,;-5.64,5.1,;-6.97,4.33,;-8.3,5.1,;-9.64,4.33,;-9.64,2.79,;-8.3,2.02,;-6.97,2.79,;-4.3,2.79,;-2.97,2.02,;-1.64,2.79,;-.3,2.02,;-.29,.48,;-1.62,-.29,;-1.62,-1.83,;-.29,-2.6,;1.05,-1.83,;2.51,-2.3,;3.42,-1.06,;4.96,-1.06,;5.73,.28,;5.73,-2.39,;7.27,-2.39,;8.17,-1.15,;9.64,-1.62,;9.64,-3.16,;8.17,-3.64,;7.7,-5.1,;2.38,.48,;2.38,2.02,;1.05,2.79,;1.05,4.33,;1.05,-.29,)|
C=CC(=O)N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cc(cnn4)-c4ccccc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:30.33,wD:25.26,(-3.32,.46,;-3.32,2,;-4.66,2.77,;-4.66,4.31,;-5.99,5.08,;-7.33,4.31,;-8.66,5.08,;-9.99,4.31,;-9.99,2.77,;-8.66,2,;-7.33,2.77,;-3.32,5.08,;-1.99,4.31,;-1.99,2.77,;-.66,2,;-.64,.46,;-1.97,-.31,;-1.97,-1.85,;-.64,-2.62,;.69,-1.85,;2.16,-2.33,;3.06,-1.08,;4.6,-1.08,;5.37,-2.41,;5.37,.25,;6.91,.25,;7.68,1.59,;9.22,1.59,;9.99,.25,;9.22,-1.08,;7.68,-1.08,;6.91,-2.41,;7.68,-3.75,;6.91,-5.08,;9.22,-3.75,;9.99,-2.41,;2.03,.46,;2.03,2,;.69,2.77,;.7,4.31,;.69,-.31,)|
C=CC(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4cccnc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccn4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4cccnc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccn4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:28.32,wD:25.26,(-5.64,-.77,;-5.64,.77,;-6.97,1.54,;-6.97,3.08,;-8.3,3.85,;-9.64,3.08,;-10.97,3.85,;-12.31,3.08,;-12.31,1.54,;-10.97,.77,;-9.64,1.54,;-5.64,3.85,;-4.3,3.08,;-4.3,1.54,;-2.97,.77,;-2.95,-.77,;-4.29,-1.54,;-4.29,-3.08,;-2.95,-3.85,;-1.62,-3.08,;-.15,-3.56,;.75,-2.31,;2.29,-2.31,;3.06,-3.64,;3.06,-.98,;4.6,-.98,;5.51,.27,;6.97,-.21,;6.97,-1.75,;5.51,-2.22,;8.3,-2.52,;9.64,-1.75,;9.64,-.21,;10.97,-2.52,;12.31,-1.75,;-.29,-.77,;-.29,.77,;-1.62,1.54,;-1.62,3.08,;-1.62,-1.54,)|
CC(C)Nc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:22.22,26.28,(-9.83,3.62,;-8.5,2.85,;-8.5,1.31,;-7.17,3.62,;-5.83,2.85,;-4.5,3.62,;-3.17,2.85,;-1.83,3.62,;-3.17,1.31,;-4.5,.54,;-5.83,1.31,;-1.83,.54,;-1.81,-1,;-3.15,-1.77,;-3.15,-3.31,;-1.81,-4.08,;-.48,-3.31,;.98,-3.79,;1.89,-2.54,;3.43,-2.54,;4.2,-3.87,;4.2,-1.21,;5.74,-1.21,;6.64,-2.45,;8.11,-1.98,;8.11,-.44,;6.64,.04,;6.17,1.5,;7.26,2.59,;6.86,4.08,;8.74,2.19,;9.83,3.28,;.85,-1,;.85,.54,;-.48,1.31,;-.48,2.85,;-.48,-1.77,)|
C=CC(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:29.33,wD:25.26,(-5.25,-.21,;-5.25,1.33,;-6.58,2.1,;-6.58,3.64,;-7.92,4.41,;-9.25,3.64,;-10.58,4.41,;-11.92,3.64,;-11.92,2.1,;-10.58,1.33,;-9.25,2.1,;-5.25,4.41,;-3.92,3.64,;-3.92,2.1,;-2.58,1.33,;-2.57,-.21,;-3.9,-.98,;-3.9,-2.52,;-2.57,-3.29,;-1.23,-2.52,;.23,-2.99,;1.14,-1.75,;2.68,-1.75,;3.45,-3.08,;3.45,-.41,;4.99,-.41,;5.76,.92,;7.3,.92,;8.07,-.41,;7.3,-1.75,;5.76,-1.75,;8.07,-3.08,;9.61,-3.08,;10.38,-4.41,;10.38,-1.75,;11.92,-1.75,;.1,-.21,;.1,1.33,;-1.23,2.1,;-1.23,3.64,;-1.23,-.98,)|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4N)c([nH]c1=O)c23 |r,wD:25.26,30.33,(-3.32,-.77,;-3.32,.77,;-4.65,1.54,;-4.65,3.08,;-5.98,3.85,;-7.32,3.08,;-8.65,3.85,;-9.98,3.08,;-9.98,1.54,;-8.65,.77,;-7.32,1.54,;-3.32,3.85,;-1.98,3.08,;-1.98,1.54,;-.65,.77,;-.65,-.77,;-1.98,-1.54,;-1.98,-3.08,;-.65,-3.85,;.68,-3.08,;2.15,-3.56,;3.05,-2.12,;4.59,-2.12,;5.36,-3.45,;5.36,-.78,;6.9,-.78,;7.67,.55,;9.21,.55,;9.98,-.78,;9.21,-2.12,;7.67,-2.12,;6.9,-3.45,;2.02,-.77,;2.02,.77,;.68,1.54,;.68,3.08,;.68,-1.54,)|
CC(C)Cc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4N)c([nH]c1=O)c23 |r,wD:22.22,27.29,(-9.32,3.85,;-7.98,3.08,;-7.98,1.54,;-6.65,3.85,;-5.32,3.08,;-5.32,1.54,;-3.98,.77,;-3.98,-.77,;-2.65,1.54,;-2.65,3.08,;-3.98,3.85,;-1.32,.77,;-1.32,-.77,;-2.65,-1.54,;-2.65,-3.08,;-1.32,-3.85,;.02,-3.08,;1.48,-3.56,;2.39,-2.12,;3.93,-2.12,;4.7,-3.45,;4.7,-.78,;6.24,-.78,;7.01,.55,;8.55,.55,;9.32,-.78,;8.55,-2.12,;7.01,-2.12,;6.24,-3.45,;1.35,-.77,;1.35,.77,;.02,1.54,;.02,3.08,;.02,-1.54,)|
CC(C)c1cc(ccn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H]4N)c([nH]c1=O)c23 |r|
CC(C)c1cc(ccn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H]4NC(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H]4N)c([nH]c1=O)c23 |r,wU:29.32,wD:25.26,(-2.96,-.77,;-2.96,.77,;-4.29,1.54,;-4.29,3.08,;-5.63,3.85,;-6.96,3.08,;-8.3,3.85,;-9.63,3.08,;-9.63,1.54,;-8.3,.77,;-6.96,1.54,;-2.96,3.85,;-1.63,3.08,;-1.63,1.54,;-.29,.77,;-.29,-.77,;-1.63,-1.54,;-1.63,-3.08,;-.29,-3.85,;1.04,-3.08,;2.5,-3.56,;3.41,-2.12,;4.95,-2.12,;5.72,-3.45,;5.72,-.78,;7.26,-.78,;8.16,.46,;9.63,-.01,;9.63,-1.55,;8.16,-2.03,;7.69,-3.49,;2.37,-.77,;2.37,.77,;1.04,1.54,;1.04,3.08,;1.04,-1.54,)|
CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4C)c(=O)[nH]c1c23 |r,wD:9.10,4.3,(9.21,-3.65,;7.67,-3.65,;6.9,-4.98,;6.9,-2.32,;7.67,-.98,;9.21,-.98,;9.98,.35,;9.21,1.68,;7.67,1.68,;6.9,.35,;5.36,.35,;4.59,-.98,;5.36,-2.32,;3.05,-.98,;2.15,-2.42,;.68,-1.95,;-.65,-2.72,;-1.98,-1.95,;-1.98,-.41,;-.65,.36,;-.65,1.9,;-1.98,2.67,;-1.98,4.21,;-3.32,4.98,;-4.65,4.21,;-5.98,4.98,;-7.32,4.21,;-8.65,4.98,;-9.98,4.21,;-9.98,2.67,;-8.65,1.9,;-7.32,2.67,;-4.65,2.67,;-3.32,1.9,;-3.32,.36,;.68,2.67,;.68,4.21,;2.02,1.9,;2.02,.36,;.68,-.41,)|
Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:24.25,29.32,(-.76,6.32,;-2.1,5.55,;-3.43,6.32,;-4.76,5.55,;-6.1,6.32,;-7.43,5.55,;-8.84,6.17,;-9.87,5.03,;-9.1,3.7,;-7.59,4.02,;-4.76,4.01,;-3.43,3.24,;-2.1,4.01,;-.76,3.24,;-.76,1.7,;-2.1,.93,;-2.1,-.61,;-.76,-1.38,;.57,-.61,;2.03,-1.09,;2.94,.35,;4.48,.35,;5.25,1.68,;5.25,-.98,;6.79,-.98,;7.56,.35,;9.1,.35,;9.87,-.98,;9.1,-2.32,;7.56,-2.32,;6.79,-3.65,;7.56,-4.98,;6.79,-6.32,;9.1,-4.98,;9.87,-3.65,;1.9,1.7,;1.9,3.24,;.57,4.01,;.57,5.55,;.57,.93,)|
C=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccn4)c(=O)[nH]c1c23 |r|
CCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4C)c(=O)[nH]c1c23 |r,wD:10.11,5.4,(9.98,-2.32,;9.21,-3.65,;7.67,-3.65,;6.9,-4.98,;6.9,-2.32,;7.67,-.98,;9.21,-.98,;9.98,.35,;9.21,1.68,;7.67,1.68,;6.9,.35,;5.36,.35,;4.59,-.98,;5.36,-2.32,;3.05,-.98,;2.15,-2.42,;.68,-1.95,;-.65,-2.72,;-1.98,-1.95,;-1.98,-.41,;-.65,.36,;-.65,1.9,;-1.98,2.67,;-1.98,4.21,;-3.32,4.98,;-4.65,4.21,;-5.98,4.98,;-7.32,4.21,;-8.65,4.98,;-9.98,4.21,;-9.98,2.67,;-8.65,1.9,;-7.32,2.67,;-4.65,2.67,;-3.32,1.9,;-3.32,.36,;.68,2.67,;.68,4.21,;2.02,1.9,;2.02,.36,;.68,-.41,)|
CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4C)c(=O)[nH]c1c23 |r,wD:8.9,4.3,(9.93,-4.53,;8.42,-4.85,;7.95,-6.31,;7.39,-3.7,;7.87,-2.24,;9.33,-1.76,;9.33,-.22,;7.87,.26,;6.96,-.99,;5.42,-.99,;4.65,.34,;5.42,1.68,;3.11,.34,;2.21,-1.1,;.74,-.62,;-.59,-1.39,;-1.93,-.62,;-1.93,.92,;-.59,1.69,;-.59,3.23,;-1.93,4,;-3.26,3.23,;-4.59,4,;-4.59,5.54,;-5.93,6.31,;-7.26,5.54,;-8.59,6.31,;-9.93,5.54,;-9.93,4,;-8.59,3.23,;-7.26,4,;-3.26,6.31,;-1.93,5.54,;-.59,6.31,;.74,4,;.74,5.54,;2.08,3.23,;2.08,1.69,;.74,.92,)|
CCC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4C)c(=O)[nH]c1c23 |r,wD:9.10,5.4,(10.17,-3.06,;9.69,-4.53,;8.18,-4.85,;7.71,-6.31,;7.15,-3.7,;7.63,-2.24,;9.09,-1.76,;9.09,-.22,;7.63,.26,;6.72,-.99,;5.18,-.99,;4.41,.34,;5.18,1.68,;2.87,.34,;1.97,-1.1,;.5,-.62,;-.83,-1.39,;-2.16,-.62,;-2.16,.92,;-.83,1.69,;-.83,3.23,;-2.16,4,;-3.5,3.23,;-4.83,4,;-4.83,5.54,;-6.16,6.31,;-7.5,5.54,;-8.83,6.31,;-10.17,5.54,;-10.17,4,;-8.83,3.23,;-7.5,4,;-3.5,6.31,;-2.16,5.54,;-.83,6.31,;.5,4,;.5,5.54,;1.84,3.23,;1.84,1.69,;.5,.92,)|
Cc1cc(OC2CCOCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.17,3.44,;-1.63,2.96,;-2.78,3.99,;-4.24,3.52,;-5.39,4.55,;-6.85,4.07,;-8,5.1,;-9.46,4.62,;-9.78,3.12,;-8.64,2.09,;-7.17,2.56,;-4.56,2.01,;-3.42,.98,;-1.95,1.46,;-.58,.37,;-.74,-1.17,;-2.07,-1.94,;-2.07,-3.48,;-.74,-4.25,;.59,-3.48,;2.06,-3.96,;2.96,-2.52,;4.5,-2.52,;5.27,-1.19,;5.27,-3.85,;6.81,-3.85,;7.72,-5.1,;9.18,-4.62,;9.18,-3.08,;7.72,-2.61,;7.24,-1.14,;8.27,0,;9.78,-.32,;7.8,1.47,;8.83,2.61,;1.93,-1.17,;2.09,.37,;.75,1.14,;.91,2.68,;.59,-1.94,)|
CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,27.29,(-9.34,6.27,;-8.01,5.5,;-8.01,3.96,;-6.67,6.27,;-5.34,5.5,;-4.01,6.27,;-2.67,5.5,;-1.34,6.27,;-2.67,3.96,;-4.01,3.19,;-5.34,3.96,;-1.34,3.19,;-1.34,1.65,;-2.67,.88,;-2.67,-.66,;-1.34,-1.43,;-.01,-.66,;1.46,-1.14,;2.41,.4,;3.95,.4,;4.72,1.73,;4.72,-.94,;6.26,-.94,;7.03,.4,;8.57,.4,;9.34,-.94,;8.57,-2.27,;7.03,-2.27,;6.26,-3.6,;7.03,-4.94,;6.26,-6.27,;8.57,-4.94,;9.34,-3.6,;1.33,1.65,;1.33,3.19,;-.01,3.96,;-.01,5.5,;-.01,.88,)|
N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cc(cnn4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@H]4N)c([nH]c1=O)c23 |r,wU:30.33,wD:25.26,(-3.56,-.77,;-3.56,.77,;-4.89,1.54,;-4.89,3.08,;-6.22,3.85,;-7.56,3.08,;-8.89,3.85,;-10.23,3.08,;-10.23,1.54,;-8.89,.77,;-7.56,1.54,;-3.56,3.85,;-2.22,3.08,;-2.22,1.54,;-.89,.77,;-.89,-.77,;-2.22,-1.54,;-2.22,-3.08,;-.89,-3.85,;.44,-3.08,;1.91,-3.56,;2.86,-2.02,;4.4,-2.02,;5.17,-3.35,;5.17,-.69,;7.15,-.69,;7.92,.65,;9.46,.65,;10.23,-.69,;9.46,-2.02,;7.92,-2.02,;7.15,-3.35,;1.78,-.77,;1.78,.77,;.44,1.54,;.44,3.08,;.44,-1.54,)|
C=CC(=O)N[C@@H]1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CC(C)COc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:23.23,28.30,(-8.67,7.04,;-8.67,5.5,;-10.01,4.73,;-7.34,4.73,;-6.01,5.5,;-4.67,4.73,;-3.34,5.5,;-2.01,4.73,;-.67,5.5,;-2.01,3.19,;-3.34,2.42,;-4.67,3.19,;-.67,2.42,;-.67,.88,;-2.01,.11,;-2.01,-1.43,;-.67,-2.2,;.66,-1.43,;2.13,-1.91,;3.08,-.37,;4.62,-.37,;5.39,.96,;5.39,-1.71,;6.93,-1.71,;7.7,-.37,;9.24,-.37,;10.01,-1.71,;9.24,-3.04,;7.7,-3.04,;6.93,-4.37,;7.7,-5.71,;6.93,-7.04,;9.24,-5.71,;10.01,-4.37,;1.99,.88,;1.99,2.42,;.66,3.19,;.66,4.73,;.66,.11,)|
CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4C)c(=O)[nH]c1c23 |r,wU:9.10,wD:5.4,(7.2,5.28,;6.57,3.88,;7.48,2.63,;9.01,2.79,;6.85,1.22,;7.75,-.02,;9.29,-.02,;9.77,-1.49,;8.52,-2.39,;7.28,-1.49,;5.75,-1.68,;5.15,-3.1,;6.08,-4.33,;3.62,-3.29,;2.88,-4.64,;1.37,-4.35,;.14,-5.28,;-1.28,-4.68,;-1.47,-3.16,;-.24,-2.23,;-.43,-.7,;-1.77,.07,;-3.1,-.7,;-4.44,.07,;-4.44,1.61,;-5.77,2.38,;-7.1,1.61,;-8.44,2.38,;-9.77,1.61,;-9.77,.07,;-8.44,-.7,;-7.1,.07,;-3.1,2.38,;-1.77,1.61,;-.43,2.38,;.79,.23,;.6,1.76,;2.21,-.37,;2.57,-2.17,;1.18,-2.82,)|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@H](N)C4)c([nH]c1=O)c23 |r,wD:25.26,28.30,(-3.61,-.77,;-3.61,.77,;-4.94,1.54,;-4.94,3.08,;-6.28,3.85,;-7.61,3.08,;-8.94,3.85,;-10.28,3.08,;-10.28,1.54,;-8.94,.77,;-7.61,1.54,;-3.61,3.85,;-2.27,3.08,;-2.27,1.54,;-.94,.77,;-.94,-.77,;-2.27,-1.54,;-2.27,-3.08,;-.94,-3.85,;.39,-3.08,;1.86,-3.56,;2.81,-2.02,;4.35,-2.02,;5.12,-3.36,;5.12,-.69,;6.66,-.69,;7.57,.56,;9.03,.08,;9.03,-1.46,;10.28,-2.36,;7.57,-1.93,;1.73,-.77,;1.73,.77,;.39,1.54,;.39,3.08,;.39,-1.54,)|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H](N)C4)c([nH]c1=O)c23 |r,wU:25.26,29.31,(-3.34,-.77,;-3.34,.77,;-4.67,1.54,;-4.67,3.08,;-6.01,3.85,;-7.34,3.08,;-8.68,3.85,;-10.01,3.08,;-10.01,1.54,;-8.68,.77,;-7.34,1.54,;-3.34,3.85,;-2.01,3.08,;-2.01,1.54,;-.67,.77,;-.67,-.77,;-2.01,-1.54,;-2.01,-3.08,;-.67,-3.85,;.66,-3.08,;2.13,-3.56,;3.08,-2.02,;4.62,-2.02,;5.39,-3.36,;5.39,-.69,;6.93,-.69,;7.7,-2.02,;9.24,-2.02,;10.01,-.69,;9.24,.65,;10.01,1.98,;7.7,.65,;1.99,-.77,;1.99,.77,;.66,1.54,;.66,3.08,;.66,-1.54,)|
CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,27.29,(-9.34,6.27,;-8.01,5.5,;-8.01,3.96,;-6.67,6.27,;-5.34,5.5,;-5.34,3.96,;-4.01,3.19,;-4.01,1.65,;-2.67,3.96,;-2.67,5.5,;-4.01,6.27,;-1.34,3.19,;-1.34,1.65,;-2.67,.88,;-2.67,-.66,;-1.34,-1.43,;-.01,-.66,;1.46,-1.14,;2.41,.4,;3.95,.4,;4.72,1.73,;4.72,-.94,;6.26,-.94,;7.03,.4,;8.57,.4,;9.34,-.94,;8.57,-2.27,;7.03,-2.27,;6.26,-3.6,;7.03,-4.94,;6.26,-6.27,;8.57,-4.94,;9.34,-6.27,;1.33,1.65,;1.33,3.19,;-.01,3.96,;-.01,5.5,;-.01,.88,)|
CC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4C)c(=O)[nH]c1c23 |r,wU:4.3,wD:8.9,(9.95,-3.14,;8.45,-3.46,;7.97,-4.93,;7.41,-2.32,;7.89,-.85,;9.36,-.38,;9.36,1.16,;7.89,1.64,;6.99,.39,;5.45,.39,;4.68,-.94,;5.45,-2.28,;3.14,-.94,;2.18,-2.48,;.72,-2,;-.62,-2.77,;-1.95,-2,;-1.95,-.46,;-.62,.31,;-.62,1.85,;-1.95,2.62,;-1.95,4.16,;-3.28,4.93,;-4.62,4.16,;-5.95,4.93,;-7.28,4.16,;-8.62,4.93,;-9.95,4.16,;-9.95,2.62,;-8.62,1.85,;-7.28,2.62,;-4.62,2.62,;-3.28,1.85,;-3.28,.31,;.72,2.62,;.72,4.16,;2.05,1.85,;2.05,.31,;.72,-.46,)|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,28.32,(-5.65,-.77,;-5.65,.77,;-6.99,1.54,;-6.99,3.08,;-8.32,3.85,;-9.65,3.08,;-10.99,3.85,;-12.32,3.08,;-12.32,1.54,;-10.99,.77,;-9.65,1.54,;-5.65,3.85,;-4.32,3.08,;-4.32,1.54,;-2.99,.77,;-2.99,-.77,;-4.32,-1.54,;-4.32,-3.08,;-2.99,-3.85,;-1.65,-3.08,;-.19,-3.56,;.77,-2.02,;2.31,-2.02,;3.08,-3.35,;3.08,-.69,;4.62,-.69,;5.52,.56,;6.99,.08,;6.99,-1.46,;5.52,-1.93,;8.32,-2.23,;9.65,-1.46,;9.65,.08,;10.99,-2.23,;12.32,-1.46,;-.32,-.77,;-.32,.77,;-1.65,1.54,;-1.65,3.08,;-1.65,-1.54,)|
CC(=O)N[C@H]1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:8.10,4.3,(11.16,3.31,;10.39,1.98,;11.16,.65,;8.85,1.98,;8.08,.65,;8.85,-.69,;8.08,-2.02,;6.54,-2.02,;5.77,-.69,;6.54,.65,;4.23,-.69,;3.46,-2.02,;4.23,-3.35,;1.92,-2.02,;.97,-3.56,;-.49,-3.08,;-1.83,-3.85,;-3.16,-3.08,;-3.16,-1.54,;-1.83,-.77,;-1.83,.77,;-3.16,1.54,;-3.16,3.08,;-4.5,3.85,;-5.83,3.08,;-7.16,3.85,;-8.5,3.08,;-9.83,3.85,;-11.16,3.08,;-11.16,1.54,;-9.83,.77,;-8.5,1.54,;-5.83,1.54,;-4.5,.77,;-4.5,-.77,;-.49,1.54,;-.49,3.08,;.84,.77,;.84,-.77,;-.49,-1.54,)|
CCC(=O)N[C@H]1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:8.10,5.4,(12.32,-1.46,;10.99,-2.23,;9.65,-1.46,;9.65,.08,;8.32,-2.23,;6.99,-1.46,;6.99,.08,;5.52,.56,;4.62,-.69,;5.52,-1.93,;3.08,-.69,;2.31,-2.02,;3.08,-3.35,;.77,-2.02,;-.19,-3.56,;-1.65,-3.08,;-2.99,-3.85,;-4.32,-3.08,;-4.32,-1.54,;-2.99,-.77,;-2.99,.77,;-4.32,1.54,;-4.32,3.08,;-5.65,3.85,;-6.99,3.08,;-8.32,3.85,;-9.65,3.08,;-10.99,3.85,;-12.32,3.08,;-12.32,1.54,;-10.99,.77,;-9.65,1.54,;-6.99,1.54,;-5.65,.77,;-5.65,-.77,;-1.65,1.54,;-1.65,3.08,;-.32,.77,;-.32,-.77,;-1.65,-1.54,)|
CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4C)c(=O)[nH]c1c23 |r,wU:4.3,wD:9.10,(9.24,-3.6,;7.7,-3.6,;6.93,-4.94,;6.93,-2.27,;7.7,-.94,;9.24,-.94,;10.01,.4,;9.24,1.73,;7.7,1.73,;6.93,.4,;5.39,.4,;4.62,-.94,;5.39,-2.27,;3.08,-.94,;2.13,-2.47,;.66,-1.99,;-.67,-2.76,;-2.01,-1.99,;-2.01,-.45,;-.67,.32,;-.67,1.86,;-2.01,2.63,;-2.01,4.17,;-3.34,4.94,;-4.67,4.17,;-6.01,4.94,;-7.34,4.17,;-8.67,4.94,;-10.01,4.17,;-10.01,2.63,;-8.67,1.86,;-7.34,2.63,;-4.67,2.63,;-3.34,1.86,;-3.34,.32,;.66,2.63,;.66,4.17,;1.99,1.86,;1.99,.32,;.66,-.45,)|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.33,(-5.27,-.77,;-5.27,.77,;-6.61,1.54,;-6.61,3.08,;-7.94,3.85,;-9.27,3.08,;-10.61,3.85,;-11.94,3.08,;-11.94,1.54,;-10.61,.77,;-9.27,1.54,;-5.27,3.85,;-3.94,3.08,;-3.94,1.54,;-2.61,.77,;-2.61,-.77,;-3.94,-1.54,;-3.94,-3.08,;-2.61,-3.85,;-1.27,-3.08,;.22,-3.48,;1.15,-2.06,;2.69,-2.06,;3.46,-3.4,;3.46,-.2,;5,-.82,;5.77,-2.16,;7.31,-2.16,;8.08,-.82,;7.31,.51,;5.77,.51,;8.08,2.37,;9.62,1.8,;10.15,.35,;10.4,3.12,;11.94,3.12,;.06,-.77,;.06,.77,;-1.27,1.54,;-1.27,3.08,;-1.27,-1.54,)|
CCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4C)c(=O)[nH]c1c23 |r,wU:10.11,5.4,(6.33,5.46,;5.93,3.97,;7.02,2.88,;8.51,3.28,;6.62,1.39,;7.58,.19,;9.1,.42,;10.06,-.79,;9.5,-2.22,;7.98,-2.45,;7.02,-1.25,;5.42,-.96,;4.93,-2.91,;5.89,-4.11,;3.41,-3.13,;2.69,-4.67,;1.16,-4.5,;-.04,-5.46,;-1.48,-4.89,;-1.71,-3.37,;-.5,-2.41,;-.73,-.89,;-2.06,-.12,;-3.39,-.89,;-4.73,-.12,;-4.73,1.42,;-6.06,2.19,;-7.4,1.42,;-8.73,2.19,;-10.06,1.42,;-10.06,-.12,;-8.73,-.89,;-7.4,-.12,;-3.39,2.19,;-2.06,1.42,;-.73,2.19,;.48,.07,;.25,1.59,;1.91,-.49,;2.14,-2.02,;.93,-2.98,)|
CC(C)COc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wD:23.23,26.29,(-12.31,3.27,;-10.98,4.04,;-10.98,5.58,;-9.64,3.27,;-8.31,4.04,;-6.98,3.27,;-5.64,4.04,;-4.31,3.27,;-2.98,4.04,;-4.31,1.73,;-5.64,.96,;-6.98,1.73,;-2.98,.96,;-2.98,-.58,;-4.31,-1.35,;-4.31,-2.89,;-2.98,-3.66,;-1.64,-2.89,;-.15,-3.29,;.78,-1.88,;2.32,-1.88,;3.09,-.02,;3.09,-3.21,;4.63,-3.21,;5.54,-1.96,;7,-2.44,;7,-3.98,;5.54,-4.46,;8.25,-4.89,;9.73,-4.49,;10.13,-3,;10.82,-5.58,;12.31,-5.18,;-.31,-.58,;-.31,.96,;-1.64,1.73,;-1.64,3.27,;-1.64,-1.35,)|
Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wD:24.25,27.31,(-3.07,4.81,;-4.4,4.04,;-5.74,4.81,;-7.07,4.04,;-8.4,4.81,;-9.74,4.04,;-11.07,4.81,;-12.22,3.78,;-11.59,2.37,;-10.06,2.53,;-7.07,2.5,;-5.74,1.73,;-4.4,2.5,;-3.07,1.73,;-3.07,.19,;-4.4,-.58,;-4.4,-2.12,;-3.07,-2.89,;-1.74,-2.12,;-.25,-2.52,;.69,-1.11,;2.23,-1.11,;3,.75,;3,-2.44,;4.54,-2.44,;5.44,-1.19,;6.91,-1.67,;6.91,-3.21,;5.44,-3.69,;8.15,-4.12,;9.64,-3.72,;10.04,-2.23,;10.73,-4.81,;12.22,-4.41,;-.4,.19,;-.4,1.73,;-1.74,2.5,;-1.74,4.04,;-1.74,-.58,)|
Cc1cc(Oc2cccnc2C)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:26.27,30.33,(-.6,3.07,;-1.93,2.3,;-3.26,3.07,;-4.6,2.3,;-5.93,3.07,;-7.27,2.3,;-7.27,.76,;-8.6,-.01,;-9.93,.76,;-9.93,2.3,;-8.6,3.07,;-8.6,4.61,;-4.6,.76,;-3.26,-.01,;-1.93,.76,;-.43,.01,;-.43,-1.53,;-1.76,-2.31,;-1.76,-3.85,;-.42,-4.61,;.91,-3.84,;2.4,-4.23,;3.33,-2.81,;4.98,-2.79,;5.94,-4,;5.47,-.97,;7.07,-1.13,;8.25,-2.11,;9.55,-1.29,;9.17,.2,;7.63,.3,;6.67,1.5,;7.44,2.84,;6.89,4.28,;8.96,2.6,;9.93,3.79,;2.24,-1.52,;2.23,.02,;.9,.78,;.89,2.32,;.91,-2.3,)|
Cc1cccc(Oc2ccc(c(C)c2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCC[C@@H]5NC(=O)C=C)c([nH]c2=O)c34)n1 |r,wU:25.25,29.31,(-11.1,3.55,;-9.77,2.78,;-9.77,1.24,;-8.44,.47,;-7.1,1.24,;-7.1,2.78,;-5.77,3.55,;-4.43,2.78,;-4.43,1.24,;-3.1,.47,;-1.77,1.24,;-1.77,2.78,;-.43,3.55,;-3.1,3.55,;-.43,.47,;-.43,-1.07,;-1.77,-1.84,;-1.77,-3.38,;-.43,-4.15,;.9,-3.38,;2.37,-3.86,;3.08,-2.49,;4.62,-2.49,;5.39,-3.83,;5.39,-1.16,;6.93,-1.16,;7.84,-2.4,;9.3,-1.93,;9.3,-.39,;7.84,.09,;7.44,1.58,;8.53,2.66,;8.13,4.15,;10.01,2.27,;11.1,3.35,;2.23,-1.07,;2.23,.47,;.9,1.24,;.9,2.78,;.9,-1.84,;-8.44,3.55,)|
Cc1cccc(Oc2ccc(cc2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCC[C@@H]5NC(=O)C=C)c([nH]c2=O)c34)n1 |r|
Cc1ccc(Oc2ccc(cc2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCC[C@@H]5NC(=O)C=C)c([nH]c2=O)c34)cn1 |r|
Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:24.25,28.31,(-.78,6.64,;-2.12,5.87,;-3.45,6.64,;-4.78,5.87,;-6.12,6.64,;-7.45,5.87,;-8.86,6.5,;-9.89,5.35,;-9.12,4.02,;-7.61,4.34,;-4.78,4.33,;-3.45,3.56,;-2.12,4.33,;-.62,3.53,;-.62,1.99,;-1.95,1.22,;-1.94,-.32,;-.61,-1.09,;.73,-.31,;2.21,-.71,;3.14,.71,;4.79,.69,;5.72,1.91,;5.32,-1.13,;6.9,-1.15,;7.99,-.06,;9.36,-.75,;9.13,-2.27,;7.61,-2.52,;6.58,-3.87,;7.38,-5.19,;6.86,-6.64,;8.89,-4.92,;9.89,-6.09,;2.05,2,;2.05,3.54,;.71,4.31,;.71,5.85,;.72,1.23,)|
Cc1ncccc1Oc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r|
CC(C)COc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:23.23,27.29,(-10,4.9,;-8.75,5.8,;-8.91,7.33,;-7.34,5.18,;-6.01,5.95,;-4.68,5.18,;-3.34,5.95,;-2.01,5.18,;-.68,5.95,;-2.01,3.64,;-3.34,2.87,;-4.68,3.64,;-.51,2.84,;-.51,1.3,;-1.84,.53,;-1.83,-1.01,;-.5,-1.78,;.83,-1.01,;2.32,-1.4,;3.25,.02,;4.9,-.01,;5.83,1.22,;5.43,-1.82,;7.01,-1.85,;8.09,-.75,;9.47,-1.45,;9.24,-2.97,;7.72,-3.22,;6.69,-4.57,;7.49,-5.88,;6.97,-7.33,;9,-5.61,;10,-6.79,;2.16,1.31,;2.15,2.85,;.82,3.61,;.81,5.15,;.83,.53,)|
Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4N)c([nH]c1=O)c23 |r,wD:24.25,28.31,(-.52,5.24,;-1.85,4.47,;-3.19,5.24,;-4.52,4.47,;-5.85,5.24,;-7.19,4.47,;-8.6,5.09,;-9.63,3.95,;-8.86,2.62,;-7.35,2.94,;-4.52,2.93,;-3.19,2.16,;-1.85,2.93,;-.36,2.17,;-.35,.63,;-1.68,-.14,;-1.68,-1.68,;-.34,-2.45,;.99,-1.67,;2.48,-2.07,;3.41,-.65,;5.06,-.67,;5.99,.55,;5.58,-2.49,;7.17,-2.52,;8.25,-1.42,;9.63,-2.11,;9.39,-3.64,;7.87,-3.89,;6.84,-5.24,;2.31,.64,;2.31,2.18,;.97,2.95,;.97,4.49,;.98,-.13,)|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4N)c([nH]c1=O)c23 |r,wD:25.26,30.33,(-.71,5.26,;-2.05,4.49,;-3.38,5.26,;-4.72,4.49,;-6.05,5.26,;-7.38,4.49,;-8.72,5.26,;-10.05,4.49,;-10.05,2.95,;-8.72,2.18,;-7.38,2.95,;-4.72,2.95,;-3.38,2.18,;-2.05,2.95,;-.55,2.15,;-.55,.61,;-1.88,-.16,;-1.87,-1.7,;-.54,-2.47,;.79,-1.69,;2.28,-2.09,;3.21,-.67,;4.86,-.69,;5.79,.53,;5.39,-2.51,;6.97,-2.58,;7.76,-1.26,;9.3,-1.29,;10.05,-2.64,;9.26,-3.96,;7.72,-3.93,;6.65,-5.26,;2.12,.62,;2.12,2.16,;.78,2.93,;.77,4.47,;.79,-.15,)|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccnc(c4)C4CCC4)c(=O)[nH]c1c23 |r|
CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:9.10,4.3,(8.96,-5.24,;7.42,-5.24,;6.65,-6.57,;6.65,-3.9,;7.74,-2.59,;9.28,-2.59,;10.05,-1.26,;9.28,.08,;7.74,.08,;6.97,-1.26,;5.39,-1.16,;4.86,.66,;5.79,1.89,;3.21,.68,;2.28,-.73,;.79,-.34,;-.54,-1.11,;-1.87,-.35,;-1.88,1.19,;-.55,1.96,;-.55,3.5,;-2.05,4.26,;-3.38,3.49,;-4.72,4.26,;-4.72,5.8,;-6.05,6.57,;-7.38,5.8,;-8.72,6.57,;-10.05,5.8,;-10.05,4.26,;-8.72,3.49,;-7.38,4.26,;-3.38,6.57,;-2.05,5.8,;-.71,6.57,;.78,4.28,;.77,5.82,;2.12,3.51,;2.12,1.97,;.79,1.2,)|
CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:8.9,4.3,(9.23,-4.78,;7.74,-5.18,;7.34,-6.67,;6.99,-3.98,;8.06,-2.53,;9.57,-2.21,;9.73,-.68,;8.32,-.06,;7.29,-1.2,;5.71,-1.1,;5.18,.72,;6.11,1.94,;3.53,.74,;2.6,-.68,;1.11,-.28,;-.22,-1.06,;-1.55,-.29,;-1.56,1.25,;-.23,2.02,;-.23,3.56,;-1.73,4.36,;-3.06,3.59,;-4.39,4.36,;-4.39,5.9,;-5.73,6.67,;-7.06,5.9,;-8.4,6.67,;-9.73,5.9,;-9.73,4.36,;-8.4,3.59,;-7.06,4.36,;-3.06,6.67,;-1.73,5.9,;-.39,6.67,;1.1,4.34,;1.1,5.88,;2.44,3.57,;2.44,2.03,;1.11,1.26,)|
C=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccnc(c4)C4CCC4)c(=O)[nH]c1c23 |r|
CCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.11,5.4,(7.67,4.77,;6.9,3.44,;7.67,2.1,;9.21,2.1,;6.9,.77,;7.67,-.56,;9.21,-.56,;9.98,-1.9,;9.21,-3.23,;7.67,-3.23,;6.9,-1.9,;5.36,-1.9,;4.59,-3.23,;5.36,-4.56,;3.05,-3.23,;2.15,-4.48,;.68,-4,;-.65,-4.77,;-1.98,-4,;-1.98,-2.46,;-.65,-1.69,;-.65,-.15,;-1.98,.62,;-3.32,-.15,;-4.65,.62,;-4.65,2.16,;-5.98,2.93,;-7.32,2.16,;-8.65,2.93,;-9.98,2.16,;-9.98,.62,;-8.65,-.15,;-7.32,.62,;-3.32,2.93,;-1.98,2.16,;-.65,2.93,;.68,.62,;.68,2.16,;2.02,-.15,;2.02,-1.69,;.68,-2.46,)|
CCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:10.11,5.4,(9.98,-3.75,;9.21,-5.08,;7.67,-5.08,;6.9,-6.41,;6.9,-3.75,;7.67,-2.41,;9.21,-2.41,;9.98,-1.08,;9.21,.25,;7.67,.25,;6.9,-1.08,;5.36,-1.08,;4.59,.25,;5.36,1.59,;3.05,.25,;2.15,-.99,;.68,-.52,;-.65,-1.29,;-1.98,-.52,;-1.98,1.02,;-.65,1.79,;-.65,3.33,;-1.98,4.1,;-3.32,3.33,;-4.65,4.1,;-4.65,5.64,;-5.98,6.41,;-7.32,5.64,;-8.65,6.41,;-9.98,5.64,;-9.98,4.1,;-8.65,3.33,;-7.32,4.1,;-3.32,6.41,;-1.98,5.64,;-.65,6.41,;.68,4.1,;.68,5.64,;2.02,3.33,;2.02,1.79,;.68,1.02,)|
CC(C)Cc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:22.22,wD:26.28,(-9.78,3.6,;-8.44,2.83,;-8.44,1.29,;-7.11,3.6,;-5.78,2.83,;-4.44,3.6,;-3.11,2.83,;-1.77,3.6,;-3.11,1.29,;-4.44,.52,;-5.78,1.29,;-1.77,.52,;-1.77,-1.02,;-3.11,-1.79,;-3.11,-3.33,;-1.77,-4.1,;-.44,-3.33,;1.02,-3.8,;1.93,-2.56,;3.47,-2.56,;4.24,-3.89,;4.24,-1.22,;5.78,-1.22,;6.68,-2.47,;8.15,-1.99,;8.15,-.45,;6.68,.02,;6.21,1.49,;7.24,2.63,;6.76,4.1,;8.75,2.31,;9.78,3.46,;.89,-1.02,;.89,.52,;-.44,1.29,;-.44,2.83,;-.44,-1.79,)|
Cc1cc(O[C@H]2CCOC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:24.25,28.31,wD:5.4,(-1.22,3.6,;-2.56,2.83,;-3.89,3.6,;-5.22,2.83,;-6.56,3.6,;-7.89,2.83,;-9.3,3.46,;-10.33,2.32,;-9.56,.98,;-8.05,1.3,;-5.22,1.29,;-3.89,.52,;-2.56,1.29,;-1.22,.52,;-1.22,-1.02,;-2.56,-1.79,;-2.56,-3.33,;-1.22,-4.1,;.11,-3.33,;1.58,-3.8,;2.48,-2.56,;4.02,-2.56,;4.79,-3.89,;4.79,-1.22,;6.33,-1.22,;7.24,-2.47,;8.7,-1.99,;8.7,-.45,;7.24,.02,;6.76,1.49,;7.79,2.63,;7.32,4.1,;9.3,2.31,;10.33,3.46,;1.45,-1.02,;1.45,.52,;.11,1.29,;.11,2.83,;.11,-1.79,)|
Cc1ccc(Oc2ccc(c(C)c2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCC[C@@H]5NC(=O)C=C)c([nH]c2=O)c34)cn1 |r,wU:24.24,28.30,(-11.11,.52,;-9.78,1.29,;-9.78,2.83,;-8.44,3.6,;-7.11,2.83,;-5.77,3.6,;-4.44,2.83,;-4.44,1.29,;-3.11,.52,;-1.77,1.29,;-1.77,2.83,;-.44,3.6,;-3.11,3.6,;-.44,.52,;-.44,-1.02,;-1.77,-1.79,;-1.77,-3.33,;-.44,-4.1,;.89,-3.33,;2.36,-3.8,;3.26,-2.56,;4.8,-2.56,;5.57,-3.89,;5.57,-1.22,;7.11,-1.22,;8.02,-2.47,;9.48,-1.99,;9.48,-.45,;8.02,.02,;7.54,1.49,;8.57,2.63,;8.1,4.1,;10.08,2.31,;11.11,3.46,;2.23,-1.02,;2.23,.52,;.89,1.29,;.89,2.83,;.89,-1.79,;-7.11,1.29,;-8.44,.52,)|
CCC(=O)N[C@H]1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:9.11,5.4,(11.91,.36,;10.37,.36,;9.6,1.69,;10.37,3.02,;8.06,1.69,;7.29,.36,;8.06,-.98,;7.29,-2.31,;5.75,-2.31,;4.98,-.98,;5.75,.36,;3.44,-.98,;2.67,-2.31,;3.44,-3.64,;1.13,-2.31,;.22,-3.56,;-1.24,-3.08,;-2.57,-3.85,;-3.91,-3.08,;-3.91,-1.54,;-2.57,-.77,;-2.57,.77,;-3.91,1.54,;-5.24,.77,;-6.58,1.54,;-6.58,3.08,;-7.91,3.85,;-9.24,3.08,;-10.58,3.85,;-11.91,3.08,;-11.91,1.54,;-10.58,.77,;-9.24,1.54,;-5.24,3.85,;-3.91,3.08,;-2.57,3.85,;-1.24,1.54,;-1.24,3.08,;.09,.77,;.09,-.77,;-1.24,-1.54,)|
Cc1cc(O[C@@H]2CCOC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:24.25,28.31,5.4,(-1.22,3.6,;-2.56,2.83,;-3.89,3.6,;-5.22,2.83,;-6.56,3.6,;-7.89,2.83,;-9.3,3.46,;-10.33,2.32,;-9.56,.98,;-8.05,1.3,;-5.22,1.29,;-3.89,.52,;-2.56,1.29,;-1.22,.52,;-1.22,-1.02,;-2.56,-1.79,;-2.56,-3.33,;-1.22,-4.1,;.11,-3.33,;1.58,-3.8,;2.48,-2.56,;4.02,-2.56,;4.79,-3.89,;4.79,-1.22,;6.33,-1.22,;7.24,-2.47,;8.7,-1.99,;8.7,-.45,;7.24,.02,;6.76,1.49,;7.79,2.63,;7.32,4.1,;9.3,2.31,;10.33,3.46,;1.45,-1.02,;1.45,.52,;.11,1.29,;.11,2.83,;.11,-1.79,)|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccnn5)cc4)c(=O)[nH]c1c23 |r|
CCC(=O)N[C@@H]1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:8.10,wD:5.4,(12.28,.35,;10.88,.98,;9.63,.07,;9.79,-1.46,;8.22,.7,;6.98,-.21,;6.98,-1.75,;5.51,-2.22,;4.61,-.98,;5.51,.27,;3.07,-.98,;2.3,-2.31,;3.07,-3.64,;.76,-2.31,;-.15,-3.56,;-1.61,-3.08,;-2.95,-3.85,;-4.28,-3.08,;-4.28,-1.54,;-2.95,-.77,;-2.95,.77,;-4.28,1.54,;-5.61,.77,;-6.95,1.54,;-6.95,3.08,;-8.28,3.85,;-9.61,3.08,;-10.95,3.85,;-12.28,3.08,;-12.28,1.54,;-10.95,.77,;-9.61,1.54,;-5.61,3.85,;-4.28,3.08,;-2.95,3.85,;-1.61,1.54,;-1.61,3.08,;-.28,.77,;-.28,-.77,;-1.61,-1.54,)|
CC(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:7.10,4.3,(11.91,-2.31,;10.37,-2.31,;9.6,-3.64,;9.6,-.98,;8.06,-.98,;7.29,.36,;5.75,.36,;4.98,-.98,;5.75,-2.31,;7.29,-2.31,;3.44,-.98,;2.67,-2.31,;3.44,-3.64,;1.13,-2.31,;.22,-3.56,;-1.24,-3.08,;-2.57,-3.85,;-3.91,-3.08,;-3.91,-1.54,;-2.57,-.77,;-2.57,.77,;-3.91,1.54,;-5.24,.77,;-6.58,1.54,;-6.58,3.08,;-7.91,3.85,;-9.24,3.08,;-10.58,3.85,;-11.91,3.08,;-11.91,1.54,;-10.58,.77,;-9.24,1.54,;-5.24,3.85,;-3.91,3.08,;-2.57,3.85,;-1.24,1.54,;-1.24,3.08,;.09,.77,;.09,-.77,;-1.24,-1.54,)|
CCC(=O)N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:8.10,5.4,(10.63,4.26,;10.79,2.73,;9.55,1.82,;8.14,2.45,;9.71,.29,;8.46,-.61,;8.46,-2.15,;7,-2.63,;6.09,-1.38,;7,-.14,;4.55,-1.38,;3.78,-2.72,;4.55,-4.05,;2.24,-2.72,;1.34,-3.96,;-.13,-3.49,;-1.46,-4.26,;-2.79,-3.49,;-2.79,-1.95,;-1.46,-1.18,;-1.46,.36,;-2.79,1.13,;-4.13,.36,;-5.46,1.13,;-5.46,2.67,;-6.79,3.44,;-8.13,2.67,;-9.46,3.44,;-10.79,2.67,;-10.79,1.13,;-9.46,.36,;-8.13,1.13,;-4.13,3.44,;-2.79,2.67,;-1.46,3.44,;-.13,1.13,;-.13,2.67,;1.21,.36,;1.21,-1.18,;-.13,-1.95,)|
CC(=O)N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:7.9,4.3,(10.79,3.14,;9.55,2.23,;8.14,2.86,;9.71,.7,;8.46,-.21,;8.46,-1.75,;7,-2.22,;6.09,-.98,;7,.27,;4.55,-.98,;3.78,-2.31,;4.55,-3.64,;2.24,-2.31,;1.34,-3.56,;-.13,-3.08,;-1.46,-3.85,;-2.79,-3.08,;-2.79,-1.54,;-1.46,-.77,;-1.46,.77,;-2.79,1.54,;-4.13,.77,;-5.46,1.54,;-5.46,3.08,;-6.79,3.85,;-8.13,3.08,;-9.46,3.85,;-10.79,3.08,;-10.79,1.54,;-9.46,.77,;-8.13,1.54,;-4.13,3.85,;-2.79,3.08,;-1.46,3.85,;-.13,1.54,;-.13,3.08,;1.21,.77,;1.21,-.77,;-.13,-1.54,)|
CC(=O)N[C@@H]1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:4.3,wD:7.9,(10.49,-.49,;10.33,-2.03,;11.58,-2.93,;8.93,-2.65,;7.68,-1.75,;7.68,-.21,;6.22,.27,;5.31,-.98,;6.22,-2.22,;3.77,-.98,;3,-2.31,;3.77,-3.64,;1.46,-2.31,;.56,-3.56,;-.91,-3.08,;-2.24,-3.85,;-3.58,-3.08,;-3.58,-1.54,;-2.24,-.77,;-2.24,.77,;-3.58,1.54,;-4.91,.77,;-6.24,1.54,;-6.24,3.08,;-7.58,3.85,;-8.91,3.08,;-10.25,3.85,;-11.58,3.08,;-11.58,1.54,;-10.25,.77,;-8.91,1.54,;-4.91,3.85,;-3.58,3.08,;-2.24,3.85,;-.91,1.54,;-.91,3.08,;.42,.77,;.42,-.77,;-.91,-1.54,)|
O[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@H](N)C4)c([nH]c1=O)c23 |r,wD:24.25,27.29,(-1.03,4.5,;-2.37,3.73,;-3.7,4.5,;-5.03,3.73,;-6.37,4.5,;-7.7,3.73,;-9.11,4.36,;-10.14,3.21,;-9.37,1.88,;-7.86,2.2,;-5.03,2.19,;-3.7,1.42,;-2.37,2.19,;-1.03,1.42,;-1.03,-.12,;-2.37,-.89,;-2.37,-2.43,;-1.03,-3.2,;.3,-2.43,;1.79,-2.83,;2.67,-1.49,;4.21,-1.49,;4.98,-.16,;4.98,-2.83,;6.52,-2.83,;7.43,-1.58,;8.89,-2.06,;8.89,-3.6,;10.14,-4.5,;7.43,-4.07,;1.63,-.12,;1.63,1.42,;.3,2.19,;.3,3.73,;.3,-.89,)|
CC(=O)N[C@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:4.3,wD:7.9,(10.8,3.3,;9.55,2.39,;8.14,3.02,;9.71,.86,;8.47,-.04,;8.47,-1.58,;7,-2.06,;6.1,-.81,;7,.43,;4.56,-.81,;3.79,-2.15,;4.56,-3.48,;2.25,-2.15,;1.36,-3.48,;-.13,-3.08,;-1.46,-3.85,;-2.79,-3.08,;-2.79,-1.54,;-1.46,-.77,;-1.46,.77,;-2.79,1.54,;-4.13,.77,;-5.46,1.54,;-5.46,3.08,;-6.8,3.85,;-8.13,3.08,;-9.46,3.85,;-10.8,3.08,;-10.8,1.54,;-9.46,.77,;-8.13,1.54,;-4.13,3.85,;-2.79,3.08,;-1.46,3.85,;-.13,1.54,;-.13,3.08,;1.21,.77,;1.21,-.77,;-.13,-1.54,)|
CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CC(C)COc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4N)c([nH]c1=O)c23 |r,wD:23.23,27.29,(-9.63,3.48,;-8.3,4.25,;-8.3,5.79,;-6.96,3.48,;-5.63,4.25,;-4.3,3.48,;-2.96,4.25,;-1.63,3.48,;-.3,4.25,;-1.63,1.94,;-2.96,1.17,;-4.3,1.94,;-.3,1.17,;-.3,-.37,;-1.63,-1.14,;-1.63,-2.68,;-.3,-3.45,;1.04,-2.68,;2.53,-3.08,;3.41,-1.75,;4.95,-1.75,;5.72,-.41,;5.72,-3.08,;7.26,-3.08,;8.17,-1.83,;9.63,-2.31,;9.63,-3.85,;8.17,-4.33,;7.69,-5.79,;2.37,-.37,;2.37,1.17,;1.04,1.94,;1.04,3.48,;1.04,-1.14,)|
CCC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CCC(=O)N[C@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.4,wD:8.10,(10.58,4.36,;10.78,2.83,;9.56,1.89,;8.15,2.49,;9.73,.36,;8.48,-.55,;8.48,-2.09,;7.02,-2.56,;6.11,-1.32,;7.02,-.07,;4.57,-1.32,;3.8,-2.65,;4.57,-3.99,;2.26,-2.65,;1.37,-3.98,;-.11,-3.59,;-1.45,-4.36,;-2.78,-3.59,;-2.78,-2.05,;-1.45,-1.28,;-1.45,.26,;-2.78,1.03,;-4.11,.26,;-5.45,1.03,;-5.45,2.57,;-6.78,3.34,;-8.12,2.57,;-9.45,3.34,;-10.78,2.57,;-10.78,1.03,;-9.45,.26,;-8.12,1.03,;-4.11,3.34,;-2.78,2.57,;-1.45,3.34,;-.11,1.03,;-.11,2.57,;1.22,.26,;1.22,-1.28,;-.11,-2.05,)|
CC(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:4.3,wD:8.10,(11.14,.52,;10.37,1.85,;11.14,3.19,;8.83,1.85,;8.06,.52,;8.83,-.81,;8.06,-2.15,;6.52,-2.15,;5.75,-.81,;6.52,.52,;4.21,-.81,;3.44,-2.15,;4.21,-3.48,;1.9,-2.15,;1.02,-3.48,;-.47,-3.08,;-1.81,-3.85,;-3.14,-3.08,;-3.14,-1.54,;-1.81,-.77,;-1.81,.77,;-3.14,1.54,;-4.47,.77,;-5.81,1.54,;-5.81,3.08,;-7.14,3.85,;-8.47,3.08,;-9.81,3.85,;-11.14,3.08,;-11.14,1.54,;-9.81,.77,;-8.47,1.54,;-4.47,3.85,;-3.14,3.08,;-1.81,3.85,;-.47,1.54,;-.47,3.08,;.86,.77,;.86,-.77,;-.47,-1.54,)|
Cc1cc(Oc2ccccn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,30.33,(-.65,3.51,;-1.98,2.74,;-3.32,3.51,;-4.65,2.74,;-5.99,3.51,;-7.32,2.74,;-7.32,1.2,;-8.65,.43,;-9.99,1.2,;-9.99,2.74,;-8.65,3.51,;-4.65,1.2,;-3.32,.43,;-1.98,1.2,;-.65,.43,;-.65,-1.11,;-1.98,-1.88,;-1.98,-3.42,;-.65,-4.19,;.68,-3.42,;2.17,-3.81,;3.06,-2.48,;4.6,-2.48,;5.37,-3.82,;5.37,-1.15,;6.91,-1.15,;7.68,-2.48,;9.22,-2.48,;9.99,-1.15,;9.22,.18,;7.68,.18,;6.91,1.52,;7.68,2.85,;6.91,4.19,;9.22,2.85,;9.99,1.52,;2.02,-1.11,;2.02,.43,;.68,1.2,;.68,2.74,;.68,-1.88,)|
CCC(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.4,wD:9.11,(10.35,-.74,;11.14,.52,;10.37,1.85,;11.14,3.19,;8.83,1.85,;8.06,.52,;8.83,-.81,;8.06,-2.15,;6.52,-2.15,;5.75,-.81,;6.52,.52,;4.21,-.81,;3.44,-2.15,;4.21,-3.48,;1.9,-2.15,;1.02,-3.48,;-.47,-3.08,;-1.81,-3.85,;-3.14,-3.08,;-3.14,-1.54,;-1.81,-.77,;-1.81,.77,;-3.14,1.54,;-4.47,.77,;-5.81,1.54,;-5.81,3.08,;-7.14,3.85,;-8.47,3.08,;-9.81,3.85,;-11.14,3.08,;-11.14,1.54,;-9.81,.77,;-8.47,1.54,;-4.47,3.85,;-3.14,3.08,;-1.81,3.85,;-.47,1.54,;-.47,3.08,;.86,.77,;.86,-.77,;-.47,-1.54,)|
CC(=O)N[C@H]1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.9,4.3,(10.66,3.36,;9.42,2.44,;8,3.03,;9.58,.91,;8.34,,;8.34,-1.54,;6.87,-2.02,;5.97,-.77,;6.87,.48,;4.43,-.77,;3.66,-2.1,;4.43,-3.44,;2.12,-2.1,;1.35,-3.44,;.01,-3.08,;-1.32,-3.85,;-2.65,-3.08,;-2.65,-1.54,;-1.32,-.77,;-1.32,.77,;-2.65,1.54,;-3.99,.77,;-5.32,1.54,;-5.32,3.08,;-6.65,3.85,;-7.99,3.08,;-9.32,3.85,;-10.66,3.08,;-10.66,1.54,;-9.32,.77,;-7.99,1.54,;-3.99,3.85,;-2.65,3.08,;-1.32,3.85,;.01,1.54,;.01,3.08,;1.35,.77,;1.35,-.77,;.01,-1.54,)|
CC(C)Cc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:22.22,wD:27.29,(-7.85,1.18,;-7.85,2.72,;-9.18,3.49,;-6.52,3.49,;-5.18,2.72,;-3.85,3.49,;-2.52,2.72,;-1.18,3.49,;-2.52,1.18,;-3.85,.41,;-5.18,1.18,;-1.18,.41,;-1.18,-1.13,;-2.52,-1.9,;-2.52,-3.44,;-1.18,-4.21,;.15,-3.44,;1.48,-3.79,;2.25,-2.46,;3.79,-2.46,;4.56,-3.79,;4.56,-1.13,;6.1,-1.13,;6.87,-2.46,;8.41,-2.46,;9.18,-1.13,;8.41,.21,;6.87,.21,;6.1,1.54,;6.87,2.87,;6.1,4.21,;8.41,2.87,;9.18,4.21,;1.48,-1.13,;1.48,.41,;.15,1.18,;.15,2.72,;.15,-1.9,)|
CC(C)COc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@H](N)C4)c([nH]c1=O)c23 |r,wD:23.23,26.27,(-9.18,5.22,;-8.79,3.74,;-10.12,2.97,;-7.45,2.97,;-6.12,3.74,;-4.78,2.97,;-3.45,3.74,;-2.12,2.97,;-.78,3.74,;-2.12,1.43,;-3.45,.66,;-4.78,1.43,;-.78,.66,;-.78,-.88,;-2.12,-1.65,;-2.12,-3.19,;-.78,-3.96,;.55,-3.19,;1.88,-3.55,;2.65,-2.22,;4.19,-2.22,;4.96,-.88,;4.96,-3.55,;6.5,-3.55,;7.41,-2.3,;8.87,-2.78,;8.87,-4.32,;10.12,-5.22,;7.41,-4.8,;1.88,-.88,;1.88,.66,;.55,1.43,;.55,2.97,;.55,-1.65,)|
Cc1cc(Oc2cccnn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,30.33,(-.52,6.98,;-1.85,6.21,;-3.18,6.98,;-4.52,6.21,;-5.85,6.98,;-7.18,6.21,;-7.18,4.67,;-8.52,3.9,;-9.85,4.67,;-9.85,6.21,;-8.52,6.98,;-4.52,4.67,;-3.18,3.9,;-1.85,4.67,;-.52,3.9,;-.52,2.36,;-1.85,1.59,;-1.85,.05,;-.52,-.72,;.82,.05,;2.15,-.31,;2.92,1.02,;4.46,1.02,;5.23,2.36,;5.23,-.31,;6.77,-.31,;7.54,1.02,;9.08,1.02,;9.85,-.31,;9.08,-1.64,;7.54,-1.64,;6.77,-2.98,;7.54,-4.31,;9.08,-4.31,;6.77,-5.64,;7.54,-6.98,;2.15,2.36,;2.15,3.9,;.82,4.67,;.82,6.21,;.82,1.59,)|
CC(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:4.3,wD:8.10,(11.01,3.23,;10.24,1.9,;11.01,.56,;8.7,1.9,;7.93,.56,;8.7,-.77,;7.93,-2.1,;6.39,-2.1,;5.62,-.77,;6.39,.56,;4.08,-.77,;3.31,-2.1,;4.08,-3.44,;1.77,-2.1,;1,-3.44,;-.34,-3.08,;-1.67,-3.85,;-3,-3.08,;-3,-1.54,;-1.67,-.77,;-1.67,.77,;-3,1.54,;-4.34,.77,;-5.67,1.54,;-5.67,3.08,;-7.01,3.85,;-8.34,3.08,;-9.67,3.85,;-11.01,3.08,;-11.01,1.54,;-9.67,.77,;-8.34,1.54,;-4.34,3.85,;-3,3.08,;-1.67,3.85,;-.34,1.54,;-.34,3.08,;1,.77,;1,-.77,;-.34,-1.54,)|
C=CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccnn5)cc4)c(=O)[nH]c1c23 |r|
CCC(=O)N[C@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4C)c(=O)[nH]c1c23 |r,wU:8.10,wD:5.4,(12.2,-2.3,;10.8,-2.93,;9.55,-2.03,;9.71,-.49,;8.15,-2.65,;6.9,-1.75,;6.9,-.21,;5.43,.27,;4.53,-.98,;5.43,-2.22,;2.99,-.98,;2.22,-2.31,;2.99,-3.64,;.68,-2.31,;-.05,-3.48,;-1.54,-3.08,;-2.87,-3.85,;-4.2,-3.08,;-4.2,-1.54,;-2.87,-.77,;-2.87,.77,;-4.2,1.54,;-4.2,3.08,;-5.54,3.85,;-6.87,3.08,;-8.2,3.85,;-9.54,3.08,;-10.87,3.85,;-12.2,3.08,;-12.2,1.54,;-10.87,.77,;-9.54,1.54,;-6.87,1.54,;-5.54,.77,;-5.54,-.77,;-1.54,1.54,;-1.54,3.08,;-.2,.77,;-.2,-.77,;-1.54,-1.54,)|
CC(=O)N[C@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4C)c(=O)[nH]c1c23 |r,wU:7.9,wD:4.3,(11.5,-2.93,;10.26,-2.03,;10.42,-.49,;8.85,-2.65,;7.6,-1.75,;7.6,-.21,;6.14,.27,;5.23,-.98,;6.14,-2.22,;3.69,-.98,;2.92,-2.31,;3.69,-3.64,;1.38,-2.31,;.66,-3.48,;-.83,-3.08,;-2.17,-3.85,;-3.5,-3.08,;-3.5,-1.54,;-2.17,-.77,;-2.17,.77,;-3.5,1.54,;-3.5,3.08,;-4.83,3.85,;-6.17,3.08,;-7.5,3.85,;-8.83,3.08,;-10.17,3.85,;-11.5,3.08,;-11.5,1.54,;-10.17,.77,;-8.83,1.54,;-6.17,1.54,;-4.83,.77,;-4.83,-.77,;-.83,1.54,;-.83,3.08,;.5,.77,;.5,-.77,;-.83,-1.54,)|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.33,(-5.16,-.21,;-5.16,1.33,;-6.5,2.1,;-6.5,3.64,;-7.83,4.41,;-9.16,3.64,;-10.5,4.41,;-11.83,3.64,;-11.83,2.1,;-10.5,1.33,;-9.16,2.1,;-5.16,4.41,;-3.83,3.64,;-3.83,2.1,;-2.5,1.33,;-2.5,-.21,;-3.83,-.98,;-3.83,-2.52,;-2.5,-3.29,;-1.16,-2.52,;.33,-2.91,;1.05,-1.75,;2.59,-1.75,;3.36,-3.08,;3.36,-.41,;4.9,-.41,;5.67,.92,;7.21,.92,;7.98,-.41,;7.21,-1.75,;5.67,-1.75,;7.98,-3.08,;9.52,-3.08,;10.29,-1.75,;10.29,-4.41,;11.83,-4.41,;.17,-.21,;.17,1.33,;-1.16,2.1,;-1.16,3.64,;-1.16,-.98,)|
CCC(=O)N[C@@H]1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4C)c(=O)[nH]c1c23 |r,wU:9.11,5.4,(11.83,-4.41,;10.29,-4.41,;9.52,-3.08,;10.29,-1.75,;7.98,-3.08,;7.21,-1.75,;7.98,-.41,;7.21,.92,;5.67,.92,;4.9,-.41,;5.67,-1.75,;3.36,-.41,;2.59,-1.75,;3.36,-3.08,;1.05,-1.75,;.33,-2.91,;-1.16,-2.52,;-2.5,-3.29,;-3.83,-2.52,;-3.83,-.98,;-2.5,-.21,;-2.5,1.33,;-3.83,2.1,;-3.83,3.64,;-5.16,4.41,;-6.5,3.64,;-7.83,4.41,;-9.16,3.64,;-10.5,4.41,;-11.83,3.64,;-11.83,2.1,;-10.5,1.33,;-9.16,2.1,;-6.5,2.1,;-5.16,1.33,;-5.16,-.21,;-1.16,2.1,;-1.16,3.64,;.17,1.33,;.17,-.21,;-1.16,-.98,)|
CC(=O)N[C@@H]1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4C)c(=O)[nH]c1c23 |r,wU:8.10,4.3,(11.06,-4.41,;10.29,-3.08,;11.06,-1.75,;8.75,-3.08,;7.98,-1.75,;8.75,-.41,;7.98,.92,;6.44,.92,;5.67,-.41,;6.44,-1.75,;4.13,-.41,;3.36,-1.75,;4.13,-3.08,;1.82,-1.75,;1.1,-2.91,;-.39,-2.52,;-1.73,-3.29,;-3.06,-2.52,;-3.06,-.98,;-1.73,-.21,;-1.73,1.33,;-3.06,2.1,;-3.06,3.64,;-4.39,4.41,;-5.73,3.64,;-7.06,4.41,;-8.39,3.64,;-9.73,4.41,;-11.06,3.64,;-11.06,2.1,;-9.73,1.33,;-8.39,2.1,;-5.73,2.1,;-4.39,1.33,;-4.39,-.21,;-.39,2.1,;-.39,3.64,;.94,1.33,;.94,-.21,;-.39,-.98,)|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@@H](N)C4)c([nH]c1=O)c23 |r,wU:25.26,29.31,(-3.43,-.77,;-3.43,.77,;-4.76,1.54,;-4.76,3.08,;-6.09,3.85,;-7.43,3.08,;-8.76,3.85,;-10.1,3.08,;-10.1,1.54,;-8.76,.77,;-7.43,1.54,;-3.43,3.85,;-2.09,3.08,;-2.09,1.54,;-.76,.77,;-.76,-.77,;-2.09,-1.54,;-2.09,-3.08,;-.76,-3.85,;.57,-3.08,;2.06,-3.48,;2.79,-2.31,;4.33,-2.31,;5.1,-3.64,;5.1,-.98,;6.64,-.98,;7.41,.36,;8.95,.36,;9.72,-.98,;8.95,-2.31,;9.72,-3.64,;7.41,-2.31,;1.91,-.77,;1.91,.77,;.57,1.54,;.57,3.08,;.57,-1.54,)|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CC[C@H](N)C4)c([nH]c1=O)c23 |r,wU:25.26,wD:28.30,(-3.51,-.77,;-3.51,.77,;-4.84,1.54,;-4.84,3.08,;-6.17,3.85,;-7.51,3.08,;-8.84,3.85,;-10.17,3.08,;-10.17,1.54,;-8.84,.77,;-7.51,1.54,;-3.51,3.85,;-2.17,3.08,;-2.17,1.54,;-.84,.77,;-.84,-.77,;-2.17,-1.54,;-2.17,-3.08,;-.84,-3.85,;.49,-3.08,;1.98,-3.48,;2.71,-2.31,;4.25,-2.31,;5.02,-3.64,;5.02,-.98,;6.56,-.98,;7.46,.27,;8.93,-.21,;8.93,-1.75,;10.17,-2.65,;7.46,-2.22,;1.83,-.77,;1.83,.77,;.49,1.54,;.49,3.08,;.49,-1.54,)|
CCC(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.4,wD:9.11,(11.83,3.02,;10.29,3.02,;9.52,1.69,;10.29,.36,;7.98,1.69,;7.21,.36,;7.98,-.98,;7.21,-2.31,;5.67,-2.31,;4.9,-.98,;5.67,.36,;3.36,-.98,;2.59,-2.31,;3.36,-3.64,;1.05,-2.31,;.33,-3.48,;-1.16,-3.08,;-2.5,-3.85,;-3.83,-3.08,;-3.83,-1.54,;-2.5,-.77,;-2.5,.77,;-3.83,1.54,;-5.16,.77,;-6.5,1.54,;-6.5,3.08,;-7.83,3.85,;-9.16,3.08,;-10.5,3.85,;-11.83,3.08,;-11.83,1.54,;-10.5,.77,;-9.16,1.54,;-5.16,3.85,;-3.83,3.08,;-2.5,3.85,;-1.16,1.54,;-1.16,3.08,;.17,.77,;.17,-.77,;-1.16,-1.54,)|
CN[C@H]1CCN(C1)C(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:2.1,(9.34,2.5,;9.34,.96,;7.87,.49,;6.63,1.39,;5.38,.49,;5.86,-.98,;7.4,-.98,;5.09,-2.31,;5.86,-3.64,;3.55,-2.31,;2.82,-3.48,;1.33,-3.08,;-0,-3.85,;-1.34,-3.08,;-1.34,-1.54,;-0,-.77,;-0,.77,;-1.34,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-5.34,3.85,;-6.67,3.08,;-8,3.85,;-9.34,3.08,;-9.34,1.54,;-8,.77,;-6.67,1.54,;-2.67,3.85,;-1.34,3.08,;-0,3.85,;1.33,1.54,;1.33,3.08,;2.67,.77,;2.67,-.77,;1.33,-1.54,)|
CCC(=O)N[C@H]1CCN(C1)C(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:5.4,(11.23,.55,;9.89,1.32,;8.56,.55,;8.56,-.99,;7.23,1.32,;5.82,.69,;4.49,1.46,;3.34,.43,;3.97,-.98,;5.5,-.82,;3.2,-2.31,;3.97,-3.64,;1.66,-2.31,;.93,-3.48,;-.56,-3.08,;-1.89,-3.85,;-3.22,-3.08,;-3.22,-1.54,;-1.89,-.77,;-1.89,.77,;-3.22,1.54,;-4.56,.77,;-5.89,1.54,;-5.89,3.08,;-7.23,3.85,;-8.56,3.08,;-9.89,3.85,;-11.23,3.08,;-11.23,1.54,;-9.89,.77,;-8.56,1.54,;-4.56,3.85,;-3.22,3.08,;-1.89,3.85,;-.56,1.54,;-.56,3.08,;.78,.77,;.78,-.77,;-.56,-1.54,)|
CC(=O)N[C@H]1CCN(C1)C(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:4.3,(10.56,1.32,;9.23,.55,;9.23,-.99,;7.89,1.32,;6.49,.69,;5.15,1.46,;4.01,.43,;4.63,-.98,;6.17,-.82,;3.86,-2.31,;4.63,-3.64,;2.32,-2.31,;1.6,-3.48,;.11,-3.08,;-1.22,-3.85,;-2.56,-3.08,;-2.56,-1.54,;-1.22,-.77,;-1.22,.77,;-2.56,1.54,;-3.89,.77,;-5.23,1.54,;-5.23,3.08,;-6.56,3.85,;-7.89,3.08,;-9.23,3.85,;-10.56,3.08,;-10.56,1.54,;-9.23,.77,;-7.89,1.54,;-3.89,3.85,;-2.56,3.08,;-1.22,3.85,;.11,1.54,;.11,3.08,;1.44,.77,;1.44,-.77,;.11,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N4CC[C@H](N)C4)c([nH]c1=O)c23 |r,wD:27.29,(.11,3.85,;-1.22,3.08,;-2.56,3.85,;-3.89,3.08,;-5.23,3.85,;-6.56,3.08,;-7.89,3.85,;-9.23,3.08,;-9.23,1.54,;-7.89,.77,;-6.56,1.54,;-3.89,1.54,;-2.56,.77,;-1.22,1.54,;.11,.77,;.11,-.77,;-1.22,-1.54,;-1.22,-3.08,;.11,-3.85,;1.44,-3.08,;2.93,-3.48,;3.66,-2.31,;5.2,-2.31,;5.97,-3.64,;5.97,-.98,;5.34,.43,;6.49,1.46,;7.82,.69,;9.23,1.32,;7.5,-.82,;2.78,-.77,;2.78,.77,;1.44,1.54,;1.44,3.08,;1.44,-1.54,)|
CN(C)[C@H]1CCN(C1)C(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:3.2,(8.56,2.86,;8.56,1.32,;9.89,.55,;7.15,.69,;5.82,1.46,;4.67,.43,;5.3,-.98,;6.83,-.82,;4.53,-2.31,;5.3,-3.64,;2.99,-2.31,;2.26,-3.48,;.78,-3.08,;-.56,-3.85,;-1.89,-3.08,;-1.89,-1.54,;-.56,-.77,;-.56,.77,;-1.89,1.54,;-3.22,.77,;-4.56,1.54,;-4.56,3.08,;-5.89,3.85,;-7.23,3.08,;-8.56,3.85,;-9.89,3.08,;-9.89,1.54,;-8.56,.77,;-7.23,1.54,;-3.22,3.85,;-1.89,3.08,;-.56,3.85,;.78,1.54,;.78,3.08,;2.11,.77,;2.11,-.77,;.78,-1.54,)|
CC(=O)N[C@H]1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:8.10,4.3,(11.06,.36,;10.29,1.69,;11.06,3.02,;8.75,1.69,;7.98,.36,;8.75,-.98,;7.98,-2.31,;6.44,-2.31,;5.67,-.98,;6.44,.36,;4.13,-.98,;3.36,-2.31,;4.13,-3.64,;1.82,-2.31,;1.1,-3.48,;-.39,-3.08,;-1.73,-3.85,;-3.06,-3.08,;-3.06,-1.54,;-1.73,-.77,;-1.73,.77,;-3.06,1.54,;-4.39,.77,;-5.73,1.54,;-5.73,3.08,;-7.06,3.85,;-8.39,3.08,;-9.73,3.85,;-11.06,3.08,;-11.06,1.54,;-9.73,.77,;-8.39,1.54,;-4.39,3.85,;-3.06,3.08,;-1.73,3.85,;-.39,1.54,;-.39,3.08,;.94,.77,;.94,-.77,;-.39,-1.54,)|
CCC(=O)N[C@H]1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:9.11,5.4,(11.83,.36,;10.29,.36,;9.52,1.69,;10.29,3.02,;7.98,1.69,;7.21,.36,;7.98,-.98,;7.21,-2.31,;5.67,-2.31,;4.9,-.98,;5.67,.36,;3.36,-.98,;2.59,-2.31,;3.36,-3.64,;1.05,-2.31,;.33,-3.48,;-1.16,-3.08,;-2.5,-3.85,;-3.83,-3.08,;-3.83,-1.54,;-2.5,-.77,;-2.5,.77,;-3.83,1.54,;-5.16,.77,;-6.5,1.54,;-6.5,3.08,;-7.83,3.85,;-9.16,3.08,;-10.5,3.85,;-11.83,3.08,;-11.83,1.54,;-10.5,.77,;-9.16,1.54,;-5.16,3.85,;-3.83,3.08,;-2.5,3.85,;-1.16,1.54,;-1.16,3.08,;.17,.77,;.17,-.77,;-1.16,-1.54,)|
Cc1cc(Oc2cccnn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-1.19,3.61,;-2.53,2.84,;-3.86,3.61,;-5.2,2.84,;-6.53,3.61,;-7.86,2.84,;-7.86,1.3,;-9.2,.53,;-10.53,1.3,;-10.53,2.84,;-9.2,3.61,;-5.2,1.3,;-3.86,.53,;-2.53,1.3,;-1.19,.53,;-1.19,-1.01,;-2.53,-1.78,;-2.53,-3.32,;-1.19,-4.09,;.14,-3.32,;1.6,-3.8,;2.51,-2.55,;4.05,-2.55,;4.82,-3.89,;4.82,-1.22,;6.36,-1.22,;7.26,-2.46,;8.73,-1.99,;8.73,-.45,;7.26,.03,;6.87,1.52,;7.95,2.6,;7.56,4.09,;9.44,2.21,;10.53,3.29,;1.47,-1.01,;1.47,.53,;.14,1.3,;.14,2.84,;.14,-1.78,)|
CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,26.28,(-8.53,4.09,;-8.53,5.63,;-9.86,6.4,;-7.2,6.4,;-5.86,5.63,;-4.53,6.4,;-3.2,5.63,;-1.86,6.4,;-3.2,4.09,;-4.53,3.32,;-5.86,4.09,;-1.86,3.32,;-1.86,1.78,;-3.2,1.01,;-3.2,-.53,;-1.86,-1.3,;-.53,-.53,;.94,-1,;1.84,.24,;3.38,.24,;4.15,1.58,;4.15,-1.09,;5.69,-1.09,;6.6,.15,;8.06,-.32,;8.06,-1.86,;6.6,-2.34,;6.2,-3.83,;7.29,-4.91,;6.89,-6.4,;8.77,-4.52,;9.86,-5.6,;.81,1.78,;.81,3.32,;-.53,4.09,;-.53,5.63,;-.53,1.01,)|
CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,25.28,(-10.21,2.71,;-10.21,4.25,;-11.54,5.02,;-8.87,5.02,;-7.54,4.25,;-6.2,5.02,;-4.87,4.25,;-3.54,5.02,;-4.87,2.71,;-6.2,1.94,;-7.54,2.71,;-3.54,1.94,;-3.54,.4,;-4.87,-.37,;-4.87,-1.91,;-3.54,-2.68,;-2.2,-1.91,;-.74,-2.38,;.17,-1.14,;1.71,-1.14,;2.48,.2,;2.48,-2.47,;4.02,-2.47,;4.92,-1.23,;6.39,-1.7,;6.39,-3.24,;4.92,-3.72,;7.48,-4.33,;8.96,-3.93,;9.36,-2.44,;10.05,-5.02,;11.54,-4.62,;-.87,.4,;-.87,1.94,;-2.2,2.71,;-2.2,4.25,;-2.2,-.37,)|
CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4N)c([nH]c1=O)c23 |r,wD:22.22,26.28,(-7.63,2.8,;-7.63,4.34,;-8.96,5.11,;-6.3,5.11,;-4.96,4.34,;-3.63,5.11,;-2.29,4.34,;-.96,5.11,;-2.29,2.8,;-3.63,2.03,;-4.96,2.8,;-.96,2.03,;-.96,.49,;-2.29,-.28,;-2.29,-1.82,;-.96,-2.59,;.37,-1.82,;1.84,-2.29,;2.74,-1.05,;4.28,-1.05,;5.05,.29,;5.05,-2.38,;6.59,-2.38,;7.5,-1.13,;8.96,-1.61,;8.96,-3.15,;7.5,-3.63,;7.1,-5.11,;1.71,.49,;1.71,2.03,;.37,2.8,;.37,4.34,;.37,-.28,)|
CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@H](N)C4)c([nH]c1=O)c23 |r,wD:22.22,25.26,(-8.3,2.21,;-8.3,3.75,;-9.63,4.52,;-6.96,4.52,;-5.63,3.75,;-4.29,4.52,;-2.96,3.75,;-1.63,4.52,;-2.96,2.21,;-4.29,1.44,;-5.63,2.21,;-1.63,1.44,;-1.63,-.1,;-2.96,-.87,;-2.96,-2.41,;-1.63,-3.18,;-.29,-2.41,;1.17,-2.89,;2.08,-1.64,;3.62,-1.64,;4.39,-.31,;4.39,-2.98,;5.93,-2.98,;6.83,-1.73,;8.3,-2.21,;8.3,-3.75,;9.63,-4.52,;6.83,-4.22,;1.04,-.1,;1.04,1.44,;-.29,2.21,;-.29,3.75,;-.29,-.87,)|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@H]4CC[C@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,28.32,(-2.87,5.02,;-4.2,4.25,;-5.54,5.02,;-6.87,4.25,;-8.21,5.02,;-9.54,4.25,;-10.87,5.02,;-12.21,4.25,;-12.21,2.71,;-10.87,1.94,;-9.54,2.71,;-6.87,2.71,;-5.54,1.94,;-4.2,2.71,;-2.87,1.94,;-2.87,.4,;-4.2,-.37,;-4.2,-1.91,;-2.87,-2.68,;-1.54,-1.91,;-.07,-2.38,;.83,-1.14,;2.37,-1.14,;3.14,.2,;3.14,-2.47,;4.68,-2.47,;5.59,-1.23,;7.05,-1.7,;7.05,-3.24,;5.59,-3.72,;8.14,-4.33,;9.63,-3.93,;10.03,-2.44,;10.72,-5.02,;12.21,-4.62,;-.2,.4,;-.2,1.94,;-1.54,2.71,;-1.54,4.25,;-1.54,-.37,)|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@H]4CC[C@@H](N)C4)c([nH]c1=O)c23 |r,wU:25.26,28.30,(-.96,4.52,;-2.29,3.75,;-3.63,4.52,;-4.96,3.75,;-6.3,4.52,;-7.63,3.75,;-8.96,4.52,;-10.3,3.75,;-10.3,2.21,;-8.96,1.44,;-7.63,2.21,;-4.96,2.21,;-3.63,1.44,;-2.29,2.21,;-.96,1.44,;-.96,-.1,;-2.29,-.87,;-2.29,-2.41,;-.96,-3.18,;.37,-2.41,;1.84,-2.89,;2.74,-1.64,;4.28,-1.64,;5.05,-.31,;5.05,-2.98,;6.59,-2.98,;7.5,-1.73,;8.96,-2.21,;8.96,-3.75,;10.3,-4.52,;7.5,-4.22,;1.71,-.1,;1.71,1.44,;.37,2.21,;.37,3.75,;.37,-.87,)|
CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.10,wD:4.3,(11.91,.36,;10.37,.36,;9.6,1.69,;9.6,-.98,;8.06,-.98,;7.29,.36,;5.75,.36,;4.98,-.98,;5.75,-2.31,;7.29,-2.31,;3.44,-.98,;2.67,-2.31,;3.44,-3.64,;1.13,-2.31,;.22,-3.56,;-1.24,-3.08,;-2.57,-3.85,;-3.91,-3.08,;-3.91,-1.54,;-2.57,-.77,;-2.57,.77,;-3.91,1.54,;-5.24,.77,;-6.57,1.54,;-6.57,3.08,;-7.91,3.85,;-9.24,3.08,;-10.58,3.85,;-11.91,3.08,;-11.91,1.54,;-10.58,.77,;-9.24,1.54,;-5.24,3.85,;-3.91,3.08,;-2.57,3.85,;-1.24,1.54,;-1.24,3.08,;.09,.77,;.09,-.77,;-1.24,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N4CC[C@@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wD:27.31,(-4.59,-.77,;-4.59,.77,;-5.92,1.54,;-5.92,3.08,;-7.26,3.85,;-8.59,3.08,;-9.93,3.85,;-11.26,3.08,;-11.26,1.54,;-9.93,.77,;-8.59,1.54,;-4.59,3.85,;-3.26,3.08,;-3.26,1.54,;-1.92,.77,;-1.92,-.77,;-3.26,-1.54,;-3.26,-3.08,;-1.92,-3.85,;-.59,-3.08,;.88,-3.56,;1.78,-2.31,;3.32,-2.31,;4.09,-3.64,;4.09,-.98,;3.61,.49,;4.86,1.39,;6.11,.49,;5.63,-.98,;7.59,.89,;8.68,-.2,;8.28,-1.69,;10.17,.2,;11.26,-.89,;.74,-.77,;.74,.77,;-.59,1.54,;-.59,3.08,;-.59,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N4CC[C@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:27.31,(-4.59,-.77,;-4.59,.77,;-5.92,1.54,;-5.92,3.08,;-7.26,3.85,;-8.59,3.08,;-9.93,3.85,;-11.26,3.08,;-11.26,1.54,;-9.93,.77,;-8.59,1.54,;-4.59,3.85,;-3.26,3.08,;-3.26,1.54,;-1.92,.77,;-1.92,-.77,;-3.26,-1.54,;-3.26,-3.08,;-1.92,-3.85,;-.59,-3.08,;.88,-3.56,;1.78,-2.31,;3.32,-2.31,;4.09,-3.64,;4.09,-.98,;3.61,.49,;4.86,1.39,;6.11,.49,;5.63,-.98,;7.59,.89,;8.68,-.2,;8.28,-1.69,;10.17,.2,;11.26,-.89,;.74,-.77,;.74,.77,;-.59,1.54,;-.59,3.08,;-.59,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N4CC[C@@H](C4)NC(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:27.31,(.44,-3.36,;-.89,-4.13,;-.89,-5.67,;-2.22,-6.44,;-2.22,-7.98,;-3.55,-8.76,;-3.55,-10.3,;-4.88,-11.07,;-6.21,-10.3,;-6.22,-8.76,;-4.88,-7.99,;-3.55,-5.68,;-3.56,-4.14,;-2.22,-3.36,;-2.23,-1.82,;-3.57,-1.05,;-4.9,-1.82,;-6.23,-1.05,;-6.23,.49,;-4.9,1.26,;-4.34,2.86,;-2.8,2.86,;-1.91,4.11,;-2.55,5.51,;-.37,3.98,;.41,2.65,;1.92,2.99,;2.06,4.53,;.64,5.13,;3.38,5.32,;3.36,6.86,;2.01,7.61,;4.68,7.64,;4.66,9.18,;5.98,9.97,;6.73,11.32,;7.52,9.99,;6.02,6.89,;7.37,6.14,;-2.23,1.26,;-.9,.49,;-.9,-1.05,;.44,-1.82,;-3.57,.49,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N4CC[C@H](C4)NC(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wD:27.31,(.44,-3.36,;-.89,-4.13,;-.89,-5.67,;-2.22,-6.44,;-2.22,-7.98,;-3.55,-8.76,;-3.55,-10.3,;-4.88,-11.07,;-6.21,-10.3,;-6.22,-8.76,;-4.88,-7.99,;-3.55,-5.68,;-3.56,-4.14,;-2.22,-3.36,;-2.23,-1.82,;-3.57,-1.05,;-4.9,-1.82,;-6.23,-1.05,;-6.23,.49,;-4.9,1.26,;-4.34,2.86,;-2.8,2.86,;-1.91,4.11,;-2.55,5.51,;-.37,3.98,;.41,2.65,;1.92,2.99,;2.06,4.53,;.64,5.13,;3.38,5.32,;3.36,6.86,;2.01,7.61,;4.68,7.64,;4.66,9.18,;5.98,9.97,;6.73,11.32,;7.52,9.99,;6.02,6.89,;7.37,6.14,;-2.23,1.26,;-.9,.49,;-.9,-1.05,;.44,-1.82,;-3.57,.49,)|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccn5)cc4)c(=O)[nH]c1c23 |r|
CC(C)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:30.33,wD:25.26,(-.63,6.47,;-1.96,5.7,;-3.3,6.47,;-4.63,5.7,;-5.96,6.47,;-7.3,5.7,;-8.63,6.47,;-9.96,5.7,;-9.96,4.16,;-8.63,3.39,;-7.3,4.16,;-4.63,4.16,;-3.3,3.39,;-1.96,4.16,;-.63,3.39,;-.63,1.85,;-1.97,1.07,;-1.97,-.47,;-.63,-1.26,;.7,-.47,;2.16,-.95,;3.07,.3,;4.61,.26,;5.41,1.58,;5.35,-1.09,;6.89,-1.12,;7.71,.24,;9.25,.24,;9.96,-1.12,;9.14,-2.49,;7.6,-2.49,;6.8,-3.8,;7.55,-5.15,;6.75,-6.47,;9.09,-5.19,;9.88,-3.87,;2.04,1.85,;2.04,3.39,;.71,4.16,;.71,5.7,;.7,1.07,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@H]4N)c([nH]c1=O)c23 |r,wU:30.33,wD:25.26,(-.63,5.14,;-1.96,4.37,;-3.3,5.14,;-4.63,4.37,;-5.96,5.14,;-7.3,4.37,;-8.63,5.14,;-9.96,4.37,;-9.96,2.83,;-8.63,2.06,;-7.3,2.83,;-4.63,2.83,;-3.3,2.06,;-1.96,2.83,;-.63,2.06,;-.63,.52,;-1.97,-.27,;-1.97,-1.81,;-.63,-2.59,;.7,-1.81,;2.16,-2.28,;3.07,-1.04,;4.61,-1.07,;5.41,.25,;5.35,-2.42,;6.89,-2.46,;7.71,-1.09,;9.25,-1.09,;9.96,-2.46,;9.14,-3.82,;7.6,-3.82,;6.8,-5.14,;2.04,.52,;2.04,2.06,;.71,2.83,;.71,4.37,;.7,-.27,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@H]4NC(=O)CN)c([nH]c1=O)c23 |r,wU:30.33,wD:25.26,(-.63,6.5,;-1.96,5.73,;-3.3,6.5,;-4.63,5.73,;-5.96,6.5,;-7.3,5.73,;-8.63,6.5,;-9.96,5.73,;-9.96,4.19,;-8.63,3.42,;-7.3,4.19,;-4.63,4.19,;-3.3,3.42,;-1.96,4.19,;-.63,3.42,;-.63,1.88,;-1.97,1.1,;-1.97,-.44,;-.63,-1.23,;.7,-.44,;2.16,-.92,;3.07,.33,;4.61,.29,;5.41,1.61,;5.35,-1.06,;6.89,-1.09,;7.71,.27,;9.25,.27,;9.96,-1.09,;9.14,-2.45,;7.6,-2.45,;6.8,-3.77,;7.55,-5.12,;6.75,-6.44,;9.09,-5.15,;9.83,-6.5,;2.04,1.88,;2.04,3.42,;.71,4.19,;.71,5.73,;.7,1.1,)|
C=CC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccn5)cc4)c(=O)[nH]c1c23 |r|
CNCC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:11.12,6.5,(10.81,4.04,;9.27,4.06,;8.49,2.73,;6.95,2.75,;6.19,4.09,;6.16,1.42,;6.92,.08,;8.46,.08,;9.18,-1.28,;8.35,-2.65,;6.82,-2.65,;6.1,-1.28,;4.56,-1.25,;3.76,-2.57,;4.5,-3.92,;2.22,-2.53,;1.32,-3.78,;-.15,-3.3,;-1.47,-4.09,;-2.82,-3.3,;-2.82,-1.76,;-1.47,-.98,;-1.47,.56,;-2.81,1.33,;-4.14,.56,;-5.48,1.33,;-5.48,2.87,;-6.81,3.64,;-8.14,2.87,;-9.48,3.64,;-10.81,2.87,;-10.81,1.33,;-9.48,.56,;-8.14,1.33,;-4.14,3.64,;-2.81,2.87,;-1.47,3.64,;-.14,1.33,;-.14,2.87,;1.19,.56,;1.19,-.98,;-.15,-1.76,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCC[C@H]4NC(=O)CN)c([nH]c1=O)c23 |r,wD:25.26,30.33,(-.7,3.64,;-2.04,2.87,;-3.37,3.64,;-4.71,2.87,;-6.04,3.64,;-7.37,2.87,;-8.71,3.64,;-10.04,2.87,;-10.04,1.33,;-8.71,.56,;-7.37,1.33,;-4.71,1.33,;-3.37,.56,;-2.04,1.33,;-.7,.56,;-.7,-.98,;-2.05,-1.76,;-2.05,-3.3,;-.7,-4.09,;.62,-3.3,;2.09,-3.78,;2.99,-2.53,;4.53,-2.57,;5.27,-3.92,;5.33,-1.25,;6.87,-1.28,;7.59,-2.65,;9.12,-2.65,;9.95,-1.28,;9.23,.08,;7.69,.08,;6.93,1.42,;7.72,2.75,;6.96,4.09,;9.26,2.73,;10.04,4.06,;1.96,-.98,;1.96,.56,;.63,1.33,;.63,2.87,;.62,-1.76,)|
CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:4.3,wD:9.10,(9.09,-5.18,;7.55,-5.15,;6.75,-6.47,;6.81,-3.8,;7.6,-2.49,;9.14,-2.49,;9.96,-1.12,;9.25,.24,;7.71,.24,;6.89,-1.12,;5.35,-1.09,;4.61,.26,;5.41,1.58,;3.07,.3,;2.16,-.95,;.7,-.47,;-.63,-1.26,;-1.97,-.47,;-1.97,1.07,;-.63,1.85,;-.63,3.39,;-1.96,4.16,;-3.3,3.39,;-4.63,4.16,;-4.63,5.7,;-5.96,6.47,;-7.3,5.7,;-8.63,6.47,;-9.96,5.7,;-9.96,4.16,;-8.63,3.39,;-7.3,4.16,;-3.3,6.47,;-1.96,5.7,;-.63,6.47,;.71,4.16,;.71,5.7,;2.04,3.39,;2.04,1.85,;.7,1.07,)|
CC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:9.10,4.3,(9.22,2.75,;7.68,2.75,;6.91,4.09,;6.91,1.42,;7.68,.08,;9.22,.08,;9.99,-1.25,;9.22,-2.58,;7.68,-2.58,;6.91,-1.25,;5.37,-1.25,;4.58,-2.57,;5.32,-3.92,;3.04,-2.53,;2.13,-3.78,;.67,-3.3,;-.66,-4.09,;-2,-3.3,;-2,-1.76,;-.66,-.98,;-.66,.56,;-1.99,1.33,;-3.33,.56,;-4.66,1.33,;-4.66,2.87,;-5.99,3.64,;-7.33,2.87,;-8.66,3.64,;-9.99,2.87,;-9.99,1.33,;-8.66,.56,;-7.33,1.33,;-3.33,3.64,;-1.99,2.87,;-.66,3.64,;.67,1.33,;.67,2.87,;2.01,.56,;2.01,-.98,;.67,-1.76,)|
CN(C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.6,wD:12.13,(2.19,-3.8,;2.96,-5.14,;2.19,-6.47,;4.5,-5.14,;5.27,-3.8,;4.5,-2.47,;6.81,-3.8,;7.6,-2.49,;9.14,-2.49,;9.96,-1.12,;9.25,.24,;7.71,.24,;6.89,-1.12,;5.35,-1.09,;4.61,.26,;5.41,1.58,;3.07,.3,;2.16,-.95,;.7,-.47,;-.63,-1.26,;-1.97,-.47,;-1.97,1.07,;-.63,1.85,;-.63,3.39,;-1.96,4.16,;-3.3,3.39,;-4.63,4.16,;-4.63,5.7,;-5.96,6.47,;-7.3,5.7,;-8.63,6.47,;-9.96,5.7,;-9.96,4.16,;-8.63,3.39,;-7.3,4.16,;-3.3,6.47,;-1.96,5.7,;-.63,6.47,;.71,4.16,;.71,5.7,;2.04,3.39,;2.04,1.85,;.7,1.07,)|
CNCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:6.5,wD:11.12,(2.19,-6.47,;2.96,-5.14,;4.5,-5.14,;5.27,-3.8,;4.5,-2.47,;6.81,-3.8,;7.6,-2.49,;9.14,-2.49,;9.96,-1.12,;9.25,.24,;7.71,.24,;6.89,-1.12,;5.35,-1.09,;4.61,.26,;5.41,1.58,;3.07,.3,;2.16,-.95,;.7,-.47,;-.63,-1.26,;-1.97,-.47,;-1.97,1.07,;-.63,1.85,;-.63,3.39,;-1.96,4.16,;-3.3,3.39,;-4.63,4.16,;-4.63,5.7,;-5.96,6.47,;-7.3,5.7,;-8.63,6.47,;-9.96,5.7,;-9.96,4.16,;-8.63,3.39,;-7.3,4.16,;-3.3,6.47,;-1.96,5.7,;-.63,6.47,;.71,4.16,;.71,5.7,;2.04,3.39,;2.04,1.85,;.7,1.07,)|
CN(C)CC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:12.13,7.6,(10.77,3.42,;9.23,3.42,;8.46,4.75,;8.46,2.09,;6.92,2.09,;6.15,3.42,;6.15,.75,;6.92,-.58,;8.46,-.58,;9.23,-1.92,;8.46,-3.25,;6.92,-3.25,;6.15,-1.92,;4.61,-1.92,;3.81,-3.23,;4.55,-4.58,;2.27,-3.2,;1.36,-4.44,;-.1,-3.97,;-1.43,-4.75,;-2.77,-3.97,;-2.77,-2.43,;-1.43,-1.64,;-1.43,-.1,;-2.76,.67,;-4.1,-.1,;-5.43,.67,;-5.43,2.21,;-6.76,2.98,;-8.1,2.21,;-9.43,2.98,;-10.77,2.21,;-10.77,.67,;-9.43,-.1,;-8.1,.67,;-4.1,2.98,;-2.76,2.21,;-1.43,2.98,;-.1,.67,;-.1,2.21,;1.24,-.1,;1.24,-1.64,;-.1,-2.43,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCC[C@H]4N)c([nH]c1=O)c23 |r,wD:25.26,30.33,(-.66,3.86,;-1.99,3.09,;-3.33,3.86,;-4.66,3.09,;-5.99,3.86,;-7.33,3.09,;-8.66,3.86,;-9.99,3.09,;-9.99,1.55,;-8.66,.78,;-7.33,1.55,;-4.66,1.55,;-3.33,.78,;-1.99,1.55,;-.66,.78,;-.66,-.76,;-2,-1.54,;-2,-3.08,;-.66,-3.86,;.67,-3.08,;2.13,-3.56,;3.04,-2.31,;4.58,-2.34,;5.32,-3.69,;5.37,-1.03,;6.91,-1.03,;7.68,-2.36,;9.22,-2.36,;9.99,-1.03,;9.22,.31,;7.68,.31,;6.91,1.64,;2.01,-.76,;2.01,.78,;.67,1.55,;.67,3.09,;.67,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCC[C@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,30.33,(-.66,3.64,;-1.99,2.87,;-3.33,3.64,;-4.66,2.87,;-5.99,3.64,;-7.33,2.87,;-8.66,3.64,;-9.99,2.87,;-9.99,1.33,;-8.66,.56,;-7.33,1.33,;-4.66,1.33,;-3.33,.56,;-1.99,1.33,;-.66,.56,;-.66,-.98,;-2,-1.76,;-2,-3.3,;-.66,-4.09,;.67,-3.3,;2.13,-3.78,;3.04,-2.53,;4.58,-2.57,;5.32,-3.92,;5.37,-1.25,;6.91,-1.25,;7.68,-2.58,;9.22,-2.58,;9.99,-1.25,;9.22,.08,;7.68,.08,;6.91,1.42,;7.68,2.75,;6.91,4.09,;9.22,2.75,;9.99,4.09,;2.01,-.98,;2.01,.56,;.67,1.33,;.67,2.87,;.67,-1.76,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@H]4N)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.27,5.15,;-1.61,4.38,;-2.94,5.15,;-4.27,4.38,;-5.61,5.15,;-6.94,4.38,;-8.28,5.15,;-9.61,4.38,;-9.61,2.84,;-8.28,2.07,;-6.94,2.84,;-4.27,2.84,;-2.94,2.07,;-1.61,2.84,;-.27,2.07,;-.27,.53,;-1.62,-.25,;-1.62,-1.79,;-.27,-2.58,;1.05,-1.79,;2.52,-2.27,;3.42,-1.02,;4.96,-1.06,;5.76,.26,;5.7,-2.41,;7.24,-2.44,;8.14,-1.2,;9.61,-1.68,;9.61,-3.22,;8.14,-3.69,;7.66,-5.15,;2.39,.53,;2.39,2.07,;1.06,2.84,;1.06,4.38,;1.05,-.25,)|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4N)c([nH]c1=O)c23 |r,wD:22.22,26.28,(-7.61,2.84,;-7.61,4.38,;-8.94,5.15,;-6.27,5.15,;-4.94,4.38,;-4.94,2.84,;-3.61,2.07,;-2.27,2.84,;-2.27,4.38,;-.94,5.15,;-3.61,5.15,;-.94,2.07,;-.94,.53,;-2.28,-.25,;-2.28,-1.79,;-.94,-2.58,;.39,-1.79,;1.85,-2.27,;2.76,-1.02,;4.3,-1.06,;5.09,.26,;5.04,-2.41,;6.57,-2.44,;7.48,-1.2,;8.94,-1.68,;8.94,-3.22,;7.48,-3.69,;6.99,-5.15,;1.73,.53,;1.73,2.07,;.39,2.84,;.39,4.38,;.39,-.25,)|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@H]4CC[C@H](C4)NC(C)=O)c([nH]c1=O)c23 |r,wU:22.22,25.28,(-10.9,4.77,;-9.56,4,;-9.56,2.46,;-8.23,4.77,;-6.9,4,;-6.9,2.46,;-5.56,1.69,;-4.23,2.46,;-4.23,4,;-2.9,4.77,;-5.56,4.77,;-2.9,1.69,;-2.9,.15,;-4.23,-.62,;-4.23,-2.16,;-2.9,-2.93,;-1.56,-2.16,;-.1,-2.64,;.81,-1.39,;2.35,-1.42,;3.14,-.1,;3.09,-2.77,;4.63,-2.8,;5.53,-1.55,;7,-2.04,;7,-3.58,;5.53,-4.05,;8.25,-4.48,;9.65,-3.86,;10.9,-4.77,;9.82,-2.33,;-.23,.15,;-.23,1.69,;-1.56,2.46,;-1.56,4,;-1.56,-.62,)|
CC(C)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4N)c([nH]c1=O)c23 |r|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H]4O)c([nH]c1=O)c23 |r,wU:26.28,wD:22.22,(-7.63,2.79,;-7.63,4.33,;-8.96,5.1,;-6.3,5.1,;-4.96,4.33,;-4.96,2.79,;-3.63,2.02,;-2.3,2.79,;-2.3,4.33,;-.96,5.1,;-3.63,5.1,;-.96,2.02,;-.96,.48,;-2.3,-.29,;-2.3,-1.83,;-.96,-2.6,;.37,-1.83,;1.84,-2.31,;2.74,-1.06,;4.28,-1.06,;5.05,.28,;5.06,-2.39,;6.6,-2.39,;7.5,-1.14,;8.96,-1.62,;8.96,-3.16,;7.5,-3.63,;7.02,-5.1,;1.67,.39,;1.7,2.02,;.37,2.79,;.37,4.33,;.37,-.29,)|
N[C@@H]1CCCC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,wD:29.32,(-3.26,1.03,;-3.26,2.57,;-4.59,3.34,;-4.59,4.88,;-5.93,5.65,;-7.26,4.88,;-8.6,5.65,;-9.93,4.88,;-9.93,3.34,;-8.6,2.57,;-7.26,3.34,;-3.26,5.65,;-1.93,4.88,;-1.93,3.34,;-.59,2.57,;-.59,1.03,;-1.93,.26,;-1.93,-1.28,;-.59,-2.05,;.74,-1.28,;2.2,-1.76,;3.11,-.51,;4.65,-.52,;5.42,-1.85,;5.42,.82,;6.96,.82,;7.87,2.06,;9.33,1.59,;9.33,.05,;7.87,-.43,;7.39,-1.89,;8.42,-3.04,;9.93,-2.72,;7.95,-4.5,;8.98,-5.65,;2.08,.91,;2.07,2.57,;.74,3.34,;.74,4.88,;.74,.26,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCC[C@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-3.26,1.03,;-3.26,2.57,;-4.59,3.34,;-4.59,4.88,;-5.93,5.65,;-7.26,4.88,;-8.6,5.65,;-9.93,4.88,;-9.93,3.34,;-8.6,2.57,;-7.26,3.34,;-3.26,5.65,;-1.93,4.88,;-1.93,3.34,;-.59,2.57,;-.59,1.03,;-1.93,.26,;-1.93,-1.28,;-.59,-2.05,;.74,-1.28,;2.2,-1.76,;3.11,-.51,;4.65,-.52,;5.42,-1.85,;5.42,.82,;6.96,.82,;7.87,2.06,;9.33,1.59,;9.33,.05,;7.87,-.43,;7.39,-1.89,;8.42,-3.04,;9.93,-2.72,;7.95,-4.5,;8.98,-5.65,;2.08,.91,;2.07,2.57,;.74,3.34,;.74,4.88,;.74,.26,)|
Cc1cc(Oc2cccc(COc3ccccc3C#N)c2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCCC4)c([nH]c1=O)c23 |(.02,-2.31,;.02,-.77,;-1.32,,;-1.32,1.54,;-2.65,2.31,;-3.98,1.54,;-3.98,,;-5.32,-.77,;-6.65,,;-6.65,1.54,;-7.99,2.31,;-9.32,1.54,;-10.65,2.31,;-11.99,1.54,;-13.32,2.31,;-13.32,3.85,;-11.99,4.62,;-10.59,3.92,;-9.27,4.71,;-7.94,5.49,;-5.32,2.31,;.02,2.31,;1.35,1.54,;1.35,,;2.68,-.77,;2.68,-2.31,;1.35,-3.08,;1.35,-4.62,;2.68,-5.39,;4.02,-4.62,;5.48,-5.1,;6.39,-3.85,;7.93,-3.85,;8.69,-5.19,;8.7,-2.52,;10.24,-2.52,;11.01,-3.85,;12.55,-3.85,;13.32,-2.52,;12.55,-1.19,;11.01,-1.19,;5.36,-2.42,;5.35,-.77,;4.02,,;4.02,1.54,;4.02,-3.08,)|
Cc1cc(Oc2cccc(COc3ccccc3C#N)c2)ccc1-n1c2ccnc3sc(NC(=O)C4CC4)c([nH]c1=O)c23 |(.89,-2.31,;.89,-.77,;-.44,,;-.44,1.54,;-1.78,2.31,;-3.11,1.54,;-3.11,,;-4.44,-.77,;-5.78,,;-5.78,1.54,;-7.11,2.31,;-8.45,1.54,;-9.78,2.31,;-11.11,1.54,;-12.45,2.31,;-12.45,3.85,;-11.11,4.62,;-9.72,3.92,;-8.39,4.71,;-7.07,5.49,;-4.44,2.31,;.89,2.31,;2.22,1.54,;2.22,,;3.56,-.77,;3.56,-2.31,;2.22,-3.08,;2.22,-4.62,;3.56,-5.39,;4.89,-4.62,;6.36,-5.1,;7.26,-3.85,;8.8,-3.85,;9.57,-2.52,;8.81,-1.19,;11.11,-2.52,;12.45,-3.3,;12.45,-1.76,;6.23,-2.42,;6.23,-.77,;4.89,,;4.89,1.54,;4.89,-3.08,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCCC4)c([nH]c1=O)c23 |(-3.31,-.2,;-3.31,1.34,;-4.65,2.11,;-4.65,3.65,;-5.98,4.42,;-7.32,3.65,;-8.65,4.42,;-9.98,3.65,;-9.98,2.11,;-8.65,1.34,;-7.32,2.11,;-3.31,4.42,;-1.98,3.65,;-1.98,2.11,;-.65,1.34,;-.65,-.2,;-1.98,-.97,;-1.98,-2.51,;-.65,-3.28,;.69,-2.51,;2.15,-2.99,;3.06,-1.74,;4.6,-1.74,;5.37,-.41,;5.36,-3.08,;6.9,-3.08,;7.67,-4.42,;9.21,-4.42,;9.98,-3.08,;9.21,-1.75,;7.67,-1.75,;2.03,-.31,;2.02,1.34,;.69,2.11,;.69,3.65,;.69,-.97,)|
O=C(NC1CCCCC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
CC(C)Cc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)\C=C\CNC(=O)CCCC(=O)NCCCOCCOCCOCCCNCCC(=O)CC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)c([nH]c1=O)c23 |r,wD:22.22,26.28,62.63,65.67,70.71,(-28.58,.84,;-27.25,.07,;-27.25,-1.47,;-25.91,.84,;-24.58,.07,;-23.25,.84,;-21.91,.07,;-20.58,.84,;-21.91,-1.47,;-23.25,-2.24,;-24.58,-1.47,;-20.58,-2.24,;-20.58,-3.78,;-21.91,-4.55,;-21.91,-6.09,;-20.58,-6.86,;-19.25,-6.09,;-17.78,-6.57,;-16.88,-5.32,;-15.34,-5.35,;-14.54,-4.03,;-14.59,-6.7,;-13.05,-6.7,;-12.15,-5.45,;-10.68,-5.93,;-10.68,-7.47,;-12.15,-7.95,;-12.62,-9.41,;-11.59,-10.55,;-12.36,-11.89,;-10.05,-10.55,;-9.28,-9.22,;-7.74,-9.22,;-6.97,-7.89,;-5.43,-7.89,;-4.66,-9.22,;-4.66,-6.55,;-3.12,-6.55,;-2.35,-5.22,;-.81,-5.22,;-.04,-6.55,;-.04,-3.89,;1.5,-3.89,;2.27,-2.55,;3.81,-2.55,;4.58,-1.22,;6.12,-1.22,;6.89,.11,;8.43,.11,;9.2,1.45,;10.74,1.45,;11.51,2.78,;13.05,2.78,;13.82,4.12,;15.36,4.12,;16.13,5.45,;17.67,5.45,;18.44,6.78,;19.98,6.78,;20.75,5.45,;20.75,8.12,;22.29,8.12,;23.06,9.45,;22.43,10.86,;23.58,11.89,;24.91,11.12,;26.45,11.12,;27.07,9.87,;28.58,9.58,;25.92,8.84,;24.59,9.61,;-17.91,-3.78,;-17.91,-2.24,;-19.25,-1.47,;-19.25,.07,;-19.25,-4.55,)|
Cc1cc(Oc2ncccn2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-1.11,3.61,;-2.44,2.84,;-3.78,3.61,;-5.11,2.84,;-6.44,3.61,;-7.78,2.84,;-9.11,3.61,;-10.44,2.84,;-10.44,1.3,;-9.11,.53,;-7.78,1.3,;-5.11,1.3,;-3.78,.53,;-2.44,1.3,;-1.11,.53,;-1.11,-1.01,;-2.44,-1.78,;-2.44,-3.32,;-1.11,-4.09,;.23,-3.32,;1.69,-3.8,;2.59,-2.55,;4.13,-2.56,;4.9,-3.89,;4.91,-1.23,;6.45,-1.23,;7.35,-2.47,;8.82,-2,;8.82,-.46,;7.35,.02,;6.88,1.49,;7.91,2.63,;7.43,4.09,;9.41,2.31,;10.44,3.45,;1.57,-1.13,;1.56,.53,;.23,1.3,;.23,2.84,;.23,-1.78,)|
CC(C)Cc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:22.22,26.28,(-9.65,1.07,;-9.65,2.61,;-10.99,3.38,;-8.32,3.38,;-6.98,2.61,;-5.65,3.38,;-4.32,2.61,;-2.98,3.38,;-4.32,1.07,;-5.65,.3,;-6.98,1.07,;-2.98,.3,;-2.98,-1.24,;-4.32,-2.01,;-4.32,-3.55,;-2.98,-4.32,;-1.65,-3.55,;-.19,-4.02,;.72,-2.78,;2.26,-2.78,;3.03,-4.12,;3.03,-1.45,;4.57,-1.45,;5.48,-2.7,;6.94,-2.22,;6.94,-.68,;5.48,-.2,;5,1.26,;6.03,2.41,;5.56,3.87,;7.54,2.09,;8.01,.62,;9.52,.3,;10.67,-.73,;10.99,.78,;8.57,3.23,;9.66,4.32,;-.31,-1.35,;-.32,.3,;-1.65,1.07,;-1.65,2.61,;-1.65,-2.01,)|
Cc1cc(Oc2cccnn2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,30.33,(-.65,3.6,;-1.98,2.83,;-3.32,3.6,;-4.65,2.83,;-5.99,3.6,;-7.32,2.83,;-7.32,1.29,;-8.65,.52,;-9.99,1.29,;-9.99,2.83,;-8.65,3.6,;-4.65,1.29,;-3.32,.52,;-1.98,1.29,;-.65,.52,;-.65,-1.02,;-1.98,-1.79,;-1.98,-3.33,;-.65,-4.1,;.68,-3.33,;2.15,-3.81,;3.05,-2.56,;4.59,-2.56,;5.36,-3.9,;5.37,-1.23,;6.91,-1.23,;7.68,-2.57,;9.22,-2.57,;9.99,-1.23,;9.22,.1,;7.68,.1,;6.91,1.43,;7.68,2.77,;6.91,4.1,;9.22,2.77,;9.99,1.43,;2.03,-1.14,;2.02,.52,;.68,1.29,;.68,2.83,;.68,-1.79,)|
Cc1nc(Oc2ncccn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.59,3.03,;-1.93,2.26,;-3.26,3.03,;-4.59,2.26,;-5.93,3.03,;-7.26,2.26,;-8.6,3.03,;-9.93,2.26,;-9.93,.72,;-8.6,-.05,;-7.26,.72,;-4.59,.72,;-3.26,-.05,;-1.93,.72,;-.59,-.05,;-.59,-1.59,;-1.93,-2.36,;-1.93,-3.9,;-.59,-4.67,;.74,-3.9,;2.2,-4.37,;3.11,-3.13,;4.65,-3.13,;5.42,-4.47,;5.42,-1.8,;6.96,-1.8,;7.87,-3.04,;9.33,-2.57,;9.33,-1.03,;7.87,-.55,;7.39,.91,;8.42,2.06,;9.93,1.74,;7.95,3.52,;8.98,4.67,;2.08,-1.7,;2.07,-.05,;.74,.72,;.74,2.26,;.74,-2.36,)|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccnn5)cn4)c(=O)[nH]c1c23 |r|
Cc1nc(ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23)-n1ccccc1=O |r,wU:18.18,22.24,(-1.79,2.69,;-3.12,1.93,;-4.45,2.69,;-5.79,1.93,;-5.79,.38,;-4.45,-.38,;-3.12,.38,;-1.79,-.38,;-1.79,-1.93,;-3.12,-2.69,;-3.12,-4.23,;-1.79,-5,;-.45,-4.23,;1.01,-4.71,;1.92,-3.47,;3.46,-3.49,;4.2,-4.84,;4.25,-2.17,;5.79,-2.2,;6.69,-3.45,;8.16,-2.98,;8.16,-1.44,;6.69,-.96,;6.22,.51,;7.25,1.65,;6.77,3.12,;8.76,1.33,;9.79,2.47,;.88,-1.93,;.88,-.38,;-.45,.38,;-.45,1.93,;-.45,-2.69,;-7.12,2.69,;-8.45,1.93,;-9.79,2.69,;-9.79,4.23,;-8.45,5,;-7.12,4.23,;-5.79,5,)|
Cc1nc(Nc2ccccn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-1.12,3.64,;-2.45,2.87,;-3.79,3.64,;-5.12,2.87,;-6.45,3.64,;-7.79,2.87,;-7.79,1.33,;-9.12,.56,;-10.45,1.33,;-10.45,2.87,;-9.12,3.64,;-5.12,1.33,;-3.79,.56,;-2.45,1.33,;-1.12,.56,;-1.12,-.98,;-2.45,-1.75,;-2.45,-3.29,;-1.12,-4.06,;.22,-3.29,;1.68,-3.77,;2.58,-2.52,;4.12,-2.55,;4.87,-3.9,;4.92,-1.23,;6.46,-1.26,;7.36,-2.51,;8.83,-2.03,;8.83,-.49,;7.36,-.01,;6.88,1.45,;7.92,2.6,;7.44,4.06,;9.42,2.27,;10.45,3.42,;1.55,-.98,;1.55,.56,;.22,1.33,;.22,2.87,;.22,-1.75,)|
Cc1cccc(Nc2ccc(nc2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCC[C@@H]5NC(=O)C=C)c([nH]c2=O)c34)n1 |r|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccn5)cn4)c(=O)[nH]c1c23 |r|
Cc1ccc(Oc2ccc(nc2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCC[C@@H]5NC(=O)C=C)c([nH]c2=O)c34)cn1 |r|
Cc1cc(Oc2cncnc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-1.12,3.64,;-2.45,2.87,;-3.79,3.64,;-5.12,2.87,;-6.45,3.64,;-7.79,2.87,;-9.12,3.64,;-10.45,2.87,;-10.45,1.33,;-9.12,.56,;-7.79,1.33,;-5.12,1.33,;-3.79,.56,;-2.45,1.33,;-1.12,.56,;-1.12,-.98,;-2.45,-1.75,;-2.45,-3.29,;-1.12,-4.06,;.22,-3.29,;1.68,-3.77,;2.58,-2.52,;4.12,-2.55,;4.87,-3.9,;4.92,-1.23,;6.46,-1.26,;7.36,-2.51,;8.83,-2.03,;8.83,-.49,;7.36,-.01,;6.88,1.45,;7.92,2.6,;7.44,4.06,;9.42,2.27,;10.45,3.42,;1.55,-.98,;1.55,.56,;.22,1.33,;.22,2.87,;.22,-1.75,)|
Cc1cccc(Oc2cc(C)c(cn2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCC[C@@H]5NC(=O)C=C)c([nH]c2=O)c34)n1 |r,wU:25.25,29.31,(-11.12,3.64,;-9.79,2.87,;-9.79,1.33,;-8.45,.56,;-7.12,1.33,;-7.12,2.87,;-5.79,3.64,;-4.45,2.87,;-3.12,3.64,;-1.79,2.87,;-.45,3.64,;-1.79,1.33,;-3.12,.56,;-4.45,1.33,;-.45,.56,;-.45,-.98,;-1.79,-1.75,;-1.79,-3.29,;-.45,-4.06,;.88,-3.29,;2.35,-3.77,;3.25,-2.52,;4.79,-2.55,;5.54,-3.9,;5.59,-1.23,;7.13,-1.26,;8.03,-2.51,;9.49,-2.03,;9.49,-.49,;8.03,-.01,;7.55,1.45,;8.58,2.6,;8.11,4.06,;10.09,2.27,;11.12,3.42,;2.22,-.98,;2.22,.56,;.88,1.33,;.88,2.87,;.88,-1.75,;-8.45,3.64,)|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ncccn5)cn4)c(=O)[nH]c1c23 |r|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5cncnc5)cn4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2cncnc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-1.21,3.63,;-2.54,2.86,;-3.87,3.63,;-5.21,2.86,;-6.54,3.63,;-7.87,2.86,;-7.87,1.32,;-9.21,.55,;-10.54,1.32,;-10.54,2.86,;-9.21,3.63,;-5.21,1.32,;-3.87,.55,;-2.54,1.32,;-1.21,.55,;-1.21,-.99,;-2.54,-1.76,;-2.54,-3.3,;-1.21,-4.07,;.13,-3.3,;1.59,-3.78,;2.5,-2.53,;4.04,-2.56,;4.78,-3.91,;4.83,-1.24,;6.37,-1.24,;7.28,-2.48,;8.74,-2.01,;8.74,-.47,;7.28,.01,;6.88,1.49,;7.97,2.58,;7.57,4.07,;9.45,2.18,;10.54,3.27,;1.46,-.99,;1.46,.55,;.13,1.32,;.13,2.86,;.13,-1.76,)|
Cc1ccc(Oc2cc(C)c(cn2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCC[C@@H]5NC(=O)C=C)c([nH]c2=O)c34)cn1 |r,wU:24.24,28.30,(-11.21,.55,;-9.88,1.32,;-8.54,.55,;-7.21,1.32,;-7.21,2.86,;-5.87,3.63,;-4.54,2.86,;-3.21,3.63,;-1.87,2.86,;-.54,3.63,;-1.87,1.32,;-3.21,.55,;-4.54,1.32,;-.54,.55,;-.54,-.99,;-1.87,-1.76,;-1.87,-3.3,;-.54,-4.07,;.79,-3.3,;2.26,-3.78,;3.16,-2.53,;4.7,-2.56,;5.45,-3.91,;5.5,-1.24,;7.04,-1.24,;7.94,-2.48,;9.41,-2.01,;9.41,-.47,;7.94,.01,;7.54,1.49,;8.63,2.58,;8.23,4.07,;10.12,2.18,;11.21,3.27,;2.13,-.99,;2.13,.55,;.79,1.32,;.79,2.86,;.79,-1.76,;-8.54,3.63,;-9.88,2.86,)|
Cc1cc(Oc2ccccn2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-1.21,3.63,;-2.54,2.86,;-3.87,3.63,;-5.21,2.86,;-6.54,3.63,;-7.87,2.86,;-7.87,1.32,;-9.21,.55,;-10.54,1.32,;-10.54,2.86,;-9.21,3.63,;-5.21,1.32,;-3.87,.55,;-2.54,1.32,;-1.21,.55,;-1.21,-.99,;-2.54,-1.76,;-2.54,-3.3,;-1.21,-4.07,;.13,-3.3,;1.59,-3.78,;2.5,-2.53,;4.04,-2.56,;4.78,-3.91,;4.83,-1.24,;6.37,-1.24,;7.28,-2.48,;8.74,-2.01,;8.74,-.47,;7.28,.01,;6.88,1.49,;7.97,2.58,;7.57,4.07,;9.45,2.18,;10.54,3.27,;1.46,-.99,;1.46,.55,;.13,1.32,;.13,2.86,;.13,-1.76,)|
Cc1cc(Oc2cccnc2C)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:26.27,30.33,(-1.21,3.63,;-2.54,2.86,;-3.87,3.63,;-5.21,2.86,;-6.54,3.63,;-7.87,2.86,;-9.21,3.63,;-10.54,2.86,;-10.54,1.32,;-9.21,.55,;-7.87,1.32,;-6.54,.55,;-5.21,1.32,;-3.87,.55,;-2.54,1.32,;-1.21,.55,;-1.21,-.99,;-2.54,-1.76,;-2.54,-3.3,;-1.21,-4.07,;.13,-3.3,;1.59,-3.78,;2.5,-2.53,;4.04,-2.56,;4.78,-3.91,;4.83,-1.24,;6.37,-1.24,;7.28,-2.48,;8.74,-2.01,;8.74,-.47,;7.28,.01,;6.88,1.49,;7.97,2.58,;7.57,4.07,;9.45,2.18,;10.54,3.27,;1.46,-.99,;1.46,.55,;.13,1.32,;.13,2.86,;.13,-1.76,)|
Cc1cc(Oc2cccnc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-1.21,3.63,;-2.54,2.86,;-3.87,3.63,;-5.21,2.86,;-6.54,3.63,;-7.87,2.86,;-9.21,3.63,;-10.54,2.86,;-10.54,1.32,;-9.21,.55,;-7.87,1.32,;-5.21,1.32,;-3.87,.55,;-2.54,1.32,;-1.21,.55,;-1.21,-.99,;-2.54,-1.76,;-2.54,-3.3,;-1.21,-4.07,;.13,-3.3,;1.59,-3.78,;2.5,-2.53,;4.04,-2.56,;4.78,-3.91,;4.83,-1.24,;6.37,-1.24,;7.28,-2.48,;8.74,-2.01,;8.74,-.47,;7.28,.01,;6.88,1.49,;7.97,2.58,;7.57,4.07,;9.45,2.18,;10.54,3.27,;1.46,-.99,;1.46,.55,;.13,1.32,;.13,2.86,;.13,-1.76,)|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccnc5)cn4)c(=O)[nH]c1c23 |r|
Cc1nc(Oc2cncnc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-1.21,3.63,;-2.54,2.86,;-3.87,3.63,;-5.21,2.86,;-6.54,3.63,;-7.88,2.86,;-9.21,3.63,;-10.54,2.86,;-10.54,1.32,;-9.21,.55,;-7.88,1.32,;-5.21,1.32,;-3.87,.55,;-2.54,1.32,;-1.21,.55,;-1.21,-.99,;-2.54,-1.76,;-2.54,-3.3,;-1.21,-4.07,;.13,-3.3,;1.59,-3.78,;2.5,-2.53,;4.04,-2.56,;4.78,-3.91,;4.83,-1.24,;6.37,-1.24,;7.28,-2.48,;8.74,-2.01,;8.74,-.47,;7.28,.01,;6.88,1.49,;7.97,2.58,;7.57,4.07,;9.45,2.18,;10.54,3.27,;1.46,-.99,;1.46,.55,;.13,1.32,;.13,2.86,;.13,-1.76,)|
Cc1ncccc1Oc1ccc(nc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r|
Cc1nc(Oc2cccnc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-1.21,3.63,;-2.54,2.86,;-3.87,3.63,;-5.21,2.86,;-6.54,3.63,;-7.87,2.86,;-9.21,3.63,;-10.54,2.86,;-10.54,1.32,;-9.21,.55,;-7.87,1.32,;-5.21,1.32,;-3.87,.55,;-2.54,1.32,;-1.21,.55,;-1.21,-.99,;-2.54,-1.76,;-2.54,-3.3,;-1.21,-4.07,;.13,-3.3,;1.59,-3.78,;2.5,-2.53,;4.04,-2.56,;4.78,-3.91,;4.83,-1.24,;6.37,-1.24,;7.28,-2.48,;8.74,-2.01,;8.74,-.47,;7.28,.01,;6.88,1.49,;7.97,2.58,;7.57,4.07,;9.45,2.18,;10.54,3.27,;1.46,-.99,;1.46,.55,;.13,1.32,;.13,2.86,;.13,-1.76,)|
Cc1ccc(Oc2ccc(c(C)n2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCC[C@@H]5NC(=O)C=C)c([nH]c2=O)c34)cn1 |r,wU:24.24,28.30,(-11.21,.55,;-9.88,1.32,;-9.88,2.86,;-8.54,3.63,;-7.21,2.86,;-5.87,3.63,;-4.54,2.86,;-4.54,1.32,;-3.21,.55,;-1.87,1.32,;-1.87,2.86,;-.54,3.63,;-3.21,3.63,;-.54,.55,;-.54,-.99,;-1.87,-1.76,;-1.87,-3.3,;-.54,-4.07,;.79,-3.3,;2.26,-3.78,;3.16,-2.53,;4.7,-2.56,;5.45,-3.91,;5.5,-1.24,;7.04,-1.24,;7.94,-2.48,;9.41,-2.01,;9.41,-.47,;7.94,.01,;7.54,1.49,;8.63,2.58,;8.23,4.07,;10.12,2.18,;11.21,3.27,;2.13,-.99,;2.13,.55,;.79,1.32,;.79,2.86,;.79,-1.76,;-7.21,1.32,;-8.54,.55,)|
C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5cncnc5)cc4)c(=O)[nH]c1c23 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCC(Cc3c2)C2CCOC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCC2)NC(=O)c2cn(nn2)C2CCC2)cn1
CN1CCN(CC1)c1ccc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cc[nH]c3n2)cc1 |r|
C=CC(=O)N1CCC[C@H](C1)Nc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2[nH]ccc12 |r|
C=CC(=O)N1CCC[C@H](C1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2[nH]ccc12 |r|
C=CC(=O)N1CCC[C@H](C1)Nc1nc(Nc2ccc(cc2)N2CCCC2)nc2[nH]ccc12 |r|
Cc1cc(C)n(n1)-c1ccc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cc[nH]c3n2)cc1 |r|
CCN(CC)CCOc1ccc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cc[nH]c3n2)cc1 |r|
C=CC(=O)N1CCC[C@H](C1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)nc2[nH]ccc12 |r|
CN(C)c1ccc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cc[nH]c3n2)cc1 |r|
C=CC(=O)N1CCC[C@H](C1)Nc1nc(Nc2ccc3ncsc3c2)nc2[nH]ccc12 |r|
Cn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cc[nH]c3n2)cn1 |r|
FC(F)Cn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cc[nH]c3n2)cn1 |r|
FC(F)n1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cc[nH]c3n2)cn1 |r|
COCCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cc[nH]c3n2)cn1 |r|
C=CC(=O)N1CCC[C@H](C1)Nc1nc(Nc2cnn(CCN3CCOCC3)c2)nc2[nH]ccc12 |r|
CCN(CC)CCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cc[nH]c3n2)cn1 |r|
COc1cccc(Cn2cc(Nc3nc(N[C@@H]4CCCN(C4)C(=O)C=C)c4cc[nH]c4n3)cn2)c1 |r|
CCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cc[nH]c3n2)cn1 |r|
C=CC(=O)N1CCC[C@H](C1)Nc1nc(Nc2cnoc2)nc2[nH]ccc12 |r|
CNC(=O)Cn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cc[nH]c3n2)cn1 |r|
CN1CCN(CC1)c1ccc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cn[nH]c3n2)cc1 |r|
FC(F)Cn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cn[nH]c3n2)cn1 |r|
Cn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cn[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cn[nH]c3n2)cn1 |r|
FC(F)n1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cn[nH]c3n2)cn1 |r|
CNC(=O)Cn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cn[nH]c3n2)cn1 |r|
CN1CCN(CC1)c1ccc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)c[nH]c3n2)cc1 |r|
CCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r|
FC(F)n1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r|
FC(F)Cn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r|
Clc1c[nH]c2nc(Nc3cnn(CCN4CCOCC4)c3)nc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
COc1cccc(Cn2cc(Nc3nc(N[C@@H]4CCCN(C4)C(=O)C=C)c4c(Cl)c[nH]c4n3)cn2)c1 |r|
CN1CCN(CC1)c1ccc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)n[nH]c3n2)cc1 |r|
Cc1cc(C)n(n1)-c1ccc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)n[nH]c3n2)cc1 |r|
FC(F)Cn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
Cn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
CNC(=O)Cn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
Clc1n[nH]c2nc(Nc3cnn(c3)C3CCOCC3)nc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
Clc1n[nH]c2nc(Nc3cnn(c3)C3CC3)nc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
CC(C)n1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
CCCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
Clc1n[nH]c2nc(Nc3cnn(CC#N)c3)nc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
CC(C)(C)n1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
Clc1n[nH]c2nc(Nc3cnn(CCN4CCOCC4)c3)nc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
CC(C)Cn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
FC(F)(F)Cn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
CCN(CC)CCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
COc1cccc(Cn2cc(Nc3nc(N[C@@H]4CCCN(C4)C(=O)C=C)c4c(Cl)n[nH]c4n3)cn2)c1 |r|
Clc1n[nH]c2nc(Nc3cnoc3)nc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
CNC(=O)Cn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r|
Clc1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
Clc1c[nH]c2nc(Nc3cnn(c3)C3CC3)nc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
CC(C)Cn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r|
FC(F)n1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
CC(C)Cn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cn[nH]c3n2)cn1 |r|
CC(C)(C)n1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cn[nH]c3n2)cn1 |r|
C=CC(=O)N1CCC[C@H](C1)Nc1nc(Nc2cnn(c2)C2CC2)nc2[nH]ncc12 |r|
Clc1c[nH]c2nc(Nc3ccc(cc3)C(=O)N3CCOCC3)nc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
Cn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r|
CC(C)(C)n1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r|
C=CC(=O)N1CCC[C@H](C1)Nc1nc(Nc2cnn(c2)C2CCOCC2)nc2[nH]ncc12 |r|
C=CC(=O)N1CCC[C@H](C1)Nc1nc(Nc2cnn(CCN3CCOCC3)c2)nc2[nH]ncc12 |r|
CCCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cn[nH]c3n2)cn1 |r|
COCCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cn[nH]c3n2)cn1 |r|
Cc1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cc[nH]c3n2)sn1 |r|
CCn1cc(Nc2nc(N[C@H]3CN(CC[C@H]3F)C(=O)C=C)c3cc[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N[C@H]3CN(CC[C@H]3F)C(=O)C=C)c3cn[nH]c3n2)cn1 |r|
Cc1c[nH]c2nc(Nc3cnn(c3)C3CC3)nc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
CCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(C)c[nH]c3n2)cn1 |r|
Cc1cc(C)n(n1)-c1ccc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(C)c[nH]c3n2)cc1 |r|
Cc1c[nH]c2nc(Nc3ccc4ncsc4c3)nc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
CCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(F)c[nH]c3n2)cn1 |r|
Cc1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(F)c[nH]c3n2)sn1 |r|
CCn1cc(Nc2nc(N[C@H]3CN(CC[C@H]3C)C(=O)C=C)c3c(F)c[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(S[C@@H]3CCCN(C3)C(=O)C=C)c3c(F)c[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N[C@H]3CN(CC[C@H]3F)C(=O)C=C)c3c(F)c[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N(C)[C@@H]3CCCN(C3)C(=O)C=C)c3c(F)c[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(c[nH]c3n2)C#N)cn1 |r|
C=CC(=O)N1CCC[C@H](C1)Nc1nc(Nc2cnn(c2)C2CC2)nc2[nH]cc(C#N)c12 |r|
CCn1cc(Nc2nc(N[C@H]3CN(CC[C@H]3C)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
C[C@@H]1CCN(C[C@@H]1Nc1nc(Nc2cnn(CC(F)F)c2)nc2[nH]nc(Cl)c12)C(=O)C=C |r|
C[C@@H]1CCN(C[C@@H]1Nc1nc(Nc2cnn(c2)C2CC2)nc2[nH]nc(Cl)c12)C(=O)C=C |r|
CCN(CC)CCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r|
Clc1c[nH]c2nc(Nc3cnoc3)nc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
Fc1cc(ccc1Nc1nc(N[C@@H]2CCCN(C2)C(=O)C=C)c2c(Cl)c[nH]c2n1)N1CCOCC1 |r|
Fc1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)c[nH]c3n2)ccc1N1CCOCC1 |r|
CCn1cc(Nc2nc(N(C)[C@@H]3CCCN(C3)C(=O)C=C)c3cc[nH]c3n2)cn1 |r|
CN([C@@H]1CCCN(C1)C(=O)C=C)c1nc(Nc2cnoc2)nc2[nH]ccc12 |r|
CN([C@@H]1CCCN(C1)C(=O)C=C)c1nc(Nc2cnn(CC(F)F)c2)nc2[nH]ccc12 |r|
CCn1cc(Nc2nc(S[C@@H]3CCCN(C3)C(=O)C=C)c3cc[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(S[C@@H]3CCCN(C3)C(=O)C=C)c3cn[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N[C@H]3CN(CC[C@H]3C)C(=O)C=C)c3cn[nH]c3n2)cn1 |r|
FC(F)Cn1cc(Nc2nc(S[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(S[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
Clc1n[nH]c2nc(Nc3cnn(c3)C3CC3)nc(S[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
CC(C)(C)n1cc(Nc2nc(S[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
CC(C)Cn1cc(Nc2nc(S[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
FC(F)(F)Cn1cc(Nc2nc(S[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
CCCn1cc(Nc2nc(S[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
Clc1n[nH]c2nc(Nc3cnoc3)nc(S[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
Cc1oncc1Nc1nc(N[C@@H]2CCCN(C2)C(=O)C=C)c2c(Cl)n[nH]c2n1 |r|
CCn1cc(Nc2nc(N(C)[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
CN([C@@H]1CCCN(C1)C(=O)C=C)c1nc(Nc2cnoc2)nc2[nH]nc(Cl)c12 |r|
C[C@@H]1CCN(C[C@@H]1Nc1nc(Nc2cnn(CC(F)(F)F)c2)nc2[nH]nc(Cl)c12)C(=O)C=C |r|
CCCn1cc(Nc2nc(N[C@H]3CN(CC[C@H]3C)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
CCN(CC)CCn1cc(Nc2nc(N[C@H]3CN(CC[C@H]3C)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
C[C@@H]1CCN(C[C@@H]1Nc1nc(Nc2cnn(CCN3CCOCC3)c2)nc2[nH]nc(Cl)c12)C(=O)C=C |r|
CC(C)Cn1cc(Nc2nc(N[C@H]3CN(CC[C@H]3C)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
COc1cccc(Cn2cc(Nc3nc(N[C@H]4CN(CC[C@H]4C)C(=O)C=C)c4c(Cl)n[nH]c4n3)cn2)c1 |r|
C[C@@H]1CCN(C[C@@H]1Nc1nc(Nc2cnn(CC#N)c2)nc2[nH]nc(Cl)c12)C(=O)C=C |r|
C[C@@H]1CCN(C[C@@H]1Nc1nc(Nc2cnn(c2)C(F)F)nc2[nH]nc(Cl)c12)C(=O)C=C |r|
C[C@@H]1CCN(C[C@@H]1Nc1nc(Nc2cnn(C)c2)nc2[nH]nc(Cl)c12)C(=O)C=C |r|
CSc1n[nH]c2nc(Nc3cnn(c3)C3CC3)nc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
CCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(SC)n[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N(C)[C@@H]3CCCN(C3)C(=O)C=C)c3c(SC)n[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N[C@H]3CN(CC[C@H]3C)C(=O)C=C)c3c(SC)n[nH]c3n2)cn1 |r|
CSc1n[nH]c2nc(Nc3cnn(CC(F)F)c3)nc(N[C@H]3CN(CC[C@H]3C)C(=O)C=C)c12 |r|
CSc1n[nH]c2nc(Nc3cnn(CC#N)c3)nc(N[C@H]3CN(CC[C@H]3C)C(=O)C=C)c12 |r|
CSc1n[nH]c2nc(Nc3cnn(c3)C3CC3)nc(N[C@H]3CN(CC[C@H]3C)C(=O)C=C)c12 |r|
Cc1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)c[nH]c3n2)sn1 |r|
Clc1c[nH]c2nc(Nc3cccnc3)nc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
CCn1cc(Nc2nc(N[C@H]3CN(CC[C@H]3F)C(=O)CC#N)c3c(Cl)n[nH]c3n2)cn1 |r|
Clc1n[nH]c2nc(Nc3cnn(c3)C3CC3)nc(N[C@@H]3CCCN(C3)C(=O)CC#N)c12 |r|
C\C=C\C(=O)N1CCC[C@H](C1)Nc1nc(Nc2ccc(cc2)N2CCN(C)CC2)nc2[nH]cc(Cl)c12 |r|
CN1CCN(CC1)c1ccc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C#CC3CC3)c3c(Cl)c[nH]c3n2)cc1 |r|
CCC#CC(=O)N1CCC[C@H](C1)Nc1nc(Nc2ccc(cc2)N2CCN(C)CC2)nc2[nH]cc(Cl)c12 |r|
CN1CCN(CC1)c1ccc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C#C)c3c(Cl)c[nH]c3n2)cc1 |r|
FC(F)(F)Cn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cn[nH]c3n2)cn1 |r|
CCN(CC)CCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3cn[nH]c3n2)cn1 |r|
C=CC(=O)N1CCC[C@H](C1)Nc1nc(Nc2cnoc2)nc2[nH]ncc12 |r|
CCn1cc(Nc2nc(O[C@@H]3CCCN(C3)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
C=CC(=O)N1CCC[C@H](C1)Oc1nc(Nc2cnn(c2)C2CC2)nc2[nH]cc(C#N)c12 |r|
FC(F)Cn1cc(Nc2nc(O[C@@H]3CCCN(C3)C(=O)C=C)c3c(c[nH]c3n2)C#N)cn1 |r|
CCn1cc(Nc2nc(O[C@@H]3CCCN(C3)C(=O)C=C)c3c(c[nH]c3n2)C#N)cn1 |r|
CCn1cc(Nc2nc(O[C@@H]3CCCN(C3)C(=O)C=C)c3cc[nH]c3n2)cn1 |r|
C=CC(=O)N1CCC[C@H](C1)Oc1nc(Nc2ccc(cc2)N2CCOCC2)nc2[nH]ccc12 |r|
Clc1n[nH]c2nc(Nc3cnn(c3)C3CC3)nc(O[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
Clc1n[nH]c2nc(Nc3cnn(c3)C3CC3)nc(O[C@@H]3CCCN(C3)C(=O)C(=C\C3CC3)\C#N)c12 |r|
CCn1cc(Nc2nc(O[C@@H]3CCCN(C3)C(=O)C(=C\C3CC3)\C#N)c3c(Cl)n[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(O[C@@H]3CCCN(C3)C(=O)C(=C\C(C)C)\C#N)c3c(c[nH]c3n2)C#N)cn1 |r|
CCn1cc(Nc2nc(O[C@@H]3CCCN(C3)C(=O)C(=C\C3CC3)\C#N)c3c(c[nH]c3n2)C#N)cn1 |r|
CC(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)Oc1nc(Nc2cnn(c2)C2CC2)nc2[nH]nc(Cl)c12 |r|
CCn1cc(Nc2nc(N(C)[C@H]3CN(CC[C@H]3C)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N[C@H]3CN(CC[C@H]3F)C(=O)C(=C\C(C)C)\C#N)c3c(Cl)n[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N[C@H]3CN(CC[C@H]3F)C(=O)C(=C\C3CC3)\C#N)c3c(Cl)n[nH]c3n2)cn1 |r|
CC(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)Nc1nc(Nc2cnn(c2)C2CC2)nc2[nH]nc(Cl)c12 |r|
CC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)Nc1nc(Nc2cnn(c2)C2CC2)nc2[nH]nc(Cl)c12 |r|
Clc1n[nH]c2nc(Nc3cnn(c3)C3CC3)nc(N[C@@H]3CCCN(C3)C(=O)C(=C\C3CC3)\C#N)c12 |r|
Clc1n[nH]c2nc(Nc3cnn(c3)C3CC3)nc(N[C@@H]3CCCN(C3)C(=O)C(=C\C3CCCC3)\C#N)c12 |r|
CCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C(=C\C3CC3)\C#N)c3c(Cl)n[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N(C)[C@@H]3CCCN(C3)C(=O)C(=C\C3CC3)\C#N)c3c(Cl)n[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N(C)[C@@H]3CCCN(C3)C(=O)C(=C\C(C)C)\C#N)c3c(Cl)n[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N[C@H]3CN(CC[C@H]3C)C(=O)C(=C\C3CC3)\C#N)c3c(Cl)n[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N[C@H]3CN(CC[C@H]3C)C(=O)C(=C\C(C)C)\C#N)c3c(Cl)n[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C(=C\C3CC3)\C#N)c3cc[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C(=C\C(C)C)\C#N)c3cc[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(S[C@@H]3CCCN(C3)C(=O)C(=C\C3CC3)\C#N)c3cc[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(S[C@@H]3CCCN(C3)C(=O)C(=C\C(C)C)\C#N)c3cc[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C(=C\C3CC3)\C#N)c3cn[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(S[C@@H]3CCCN(C3)C(=O)C(=C\C3CC3)\C#N)c3cn[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C(=C\C3CC3)\C#N)c3c(Cl)c[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C(=C\C(C)C)\C#N)c3c(Cl)c[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(S[C@@H]3CCCN(C3)C(=O)C(=C\C3CC3)\C#N)c3c(Cl)c[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(S[C@@H]3CCCN(C3)C(=O)C(=C\C(C)C)\C#N)c3c(Cl)c[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(S[C@@H]3CCCN(C3)C(=O)C(=C\C3CC3)\C#N)c3c(Cl)n[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C(=C\C3CC3)\C#N)c3c(F)c[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N[C@H]3CN(CC[C@H]3C)C(=O)CCl)c3c(Cl)n[nH]c3n2)cn1 |r|
Cc1n[nH]c2nc(Nc3cnn(CC(F)F)c3)nc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
CCn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(C)n[nH]c3n2)cn1 |r|
CC(C)Cn1cc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c3c(C)n[nH]c3n2)cn1 |r|
Cc1n[nH]c2nc(Nc3cnn(c3)C(C)(C)C)nc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
Cc1n[nH]c2nc(Nc3cnn(c3)C3CC3)nc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
CSc1n[nH]c2nc(Nc3cnn(CC(F)F)c3)nc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
CSc1n[nH]c2nc(Nc3cnn(C)c3)nc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
CSc1n[nH]c2nc(Nc3cnn(c3)C(C)(C)C)nc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
CCn1cc(Nc2nc(N[C@H]3CN(CC[C@H]3F)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)\C=C\CN(C)C
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCN(CC1(C)C)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCN(C(=O)C=C)C(C)(C)C1
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1[C@H]2CC[C@@H]1CN(C2)C(=O)C=C |r,THB:19:21:26.27.28:24.23|
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C=C |r,THB:29:28:21.22.27:25.24|
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCN(C[C@@H]1C)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCN(C[C@H]1C)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCN([C@H](C)C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCN([C@@H](C)C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C(=C)CN(C)C
COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1(C)C)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(C(=O)C=C)C(C)(C)C1
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1[C@H]2CC[C@@H]1CN(C2)C(=O)C=C |r,THB:21:23:28.29.30:25.26|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C=C |r,THB:31:30:23.24.29:27.26|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(C[C@@H]1C)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(C[C@H]1C)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN([C@H](C)C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN([C@@H](C)C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N(C)[C@@H]1CCN(C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N(C)[C@@H]1CCN(C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N(C)[C@H]1CCN(C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N(C)[C@H]1CCN(C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CCCC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCN([C@H](C)C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CN(C)C)cc3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)CN(C)C)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)C(C)C)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)C3CCN(C)CC3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C#CC
COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C(C)=C
COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(cc3)N3CCN(CC3)C(=O)OC(C)(C)C)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(cc3)N3CCN(CC3)C(=O)CCOCCOCCOCCOCCNC(=O)CCCCC3SCC4NC(=O)NC34)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1OC |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN([C@@H](C1)C#N)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCC2(CN(C2)C(=O)C=C)C1
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CC2(C1)CCN(C2)C(=O)C=C
CCC(=O)Nc1ncc(Sc2cc(C(=O)N3CCCN([C@H](C)C3)C(=O)C=C)c(OC)cc2C)s1 |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN4CCOCC4)c3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(F)c(CN(C)C)c3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C
CCC(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(C[C@@H]3C)C(=O)C=C)c(OC)cc2C)s1 |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1C[C@@H]2CN([C@@H]2C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN(CCC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CC[C@@H](C)N(CC1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC(F)C1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN[C@H](C)C(C)(C)C)c3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C(C)(C)C)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C
Cc1cc(CSc2cnc(NC(=O)C3CC3)s2)cc(C(=O)N2CCCN(CC2)C(=O)C=C)c1C
C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1C |r|
C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1F |r|
C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1Cl |r|
C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(Cl)cc1C |r|
C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)cc(C)c1C |r|
C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(C)c(C)c(Sc2cnc(NC(=O)C3CC3)s2)c1 |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCN(CC(F)C1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
Cc1cc(c(cc1Sc1cnc(NC(=O)C2CC2)s1)C(=O)N1CCN(CC1)C(=O)C=C)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1C(F)(F)F |r|
C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1C(F)(F)F |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@@H](C)C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN(C[C@@H]1C)C(=O)C=C |r|
Cc1cc(C)c(cc1Sc1cnc(NC(=O)C2CC2)s1)C(=O)N1CCN(CC1)C(=O)C=C
Cc1cc(C)c(cc1Sc1cnc(NC(=O)C2CC2)s1)C(=O)N1CCCN(CC1)C(=O)C=C
C[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1C |r|
Cc1cnc(cc1Sc1cnc(NC(=O)C2CC2)s1)C(=O)N1CCN(CC1)C(=O)C=C
COc1ccc(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|
COc1ccc(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1ccc(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN([C@H](C)C1)C(=O)C=C |r|
Cc1cc(Cl)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
C[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(Cl)cc1C |r|
C[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(F)cc1C |r|
C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(F)cc1C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CCC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3cnsc3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)C3CCC3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3ccncc3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C(=C)CN(C)C |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3cccnc3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3cnn(C)c3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3cocn3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3cnsc3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)\C=C\CN(C)C |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3ccccn3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3nccn3C)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3cn(C)cn3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1Cl |r|
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1C |r|
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(Cl)cc1C |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3cnn(CCN(C)C)c3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|
C=CC(=O)N1CCN(CC1)C(=O)c1cccc(Cc2cnc(NC(=O)C3CC3)s2)c1
COc1cc(C)c(Cc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1CC |r|
CCc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|
CCc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
CN(C)Cc1cccc(c1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(CC3)C(=O)C=C)c(C)cc2C)s1
Cc1cc(C)c(cc1Sc1cnc(NC(=O)c2cnn(C)c2)s1)C(=O)N1CCN(CC1)C(=O)C=C
Cc1cc(C)c(cc1Sc1cnc(NC(=O)c2ccsc2)s1)C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)N(C)C)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|
CC[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1OC |r|
CC[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1C |r|
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3ccsc3)s2)c(C)cc1OC |r|
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cnsc3)s2)c(C)cc1OC |r|
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cnn(C)c3)s2)c(C)cc1OC |r|
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cnn(CCN(C)C)c3)s2)c(C)cc1OC |r|
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)c(C)cc1OC |r|
Cc1cc(C)c(cc1Sc1cnc(NC(=O)C2CC2)s1)C(=O)N1CCN([C@@H](C1)C#N)C(=O)C=C |r|
CC(=O)Nc1ncc(Sc2cc(C(=O)N3CCN([C@@H](C3)C#N)C(=O)C=C)c(C)cc2C)s1 |r|
CC[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3ccsc3)s2)c(C)cc1OC |r|
CC[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cnsc3)s2)c(C)cc1OC |r|
CC[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3ccsc3)s2)c(C)cc1C |r|
CC[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cnsc3)s2)c(C)cc1C |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCN([C@@H](C1)C#N)C(=O)C=C |r|
CN(C)Cc1cccc(c1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN([C@@H](C3)C#N)C(=O)C=C)c(C)cc2C)s1 |r|
Cc1cc(Cl)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Cc2cnc(NC(=O)C3CC3)s2)c(C)cc1C |r|
COc1cc(C)c(Cc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)c(C)cc1C |r|
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3ccsc3)s2)c(C)cc1C |r|
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cnsc3)s2)c(C)cc1C |r|
CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3ccn(C)c3)s2)c(C)cc1OC |r|
Cc1cc(C)c(cc1Sc1cnc(Nc2ccccn2)s1)C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(Nc3ccc(CN(C)C)cn3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C
COc1cc(C)c(Sc2cnc(Nc3ncccc3C)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|
COc1cc(C)c(cc1C(=O)N1CCN(CC1)C(=O)C=C)C(C)c1cnc(Nc2ccccn2)s1
Cc1cnc(Nc2ncc(Sc3cc(C(=O)N4CCN(CC4)C(=O)C=C)c(C)cc3C)s2)c(C)c1
Cc1cnc(Nc2ncc(Sc3cc(C(=O)N4CCN(CC4)C(=O)C=C)c(C)cc3C)s2)c(C)n1
COc1cc(C)c(cc1C(=O)N1CCN(CC1)C(=O)C=C)C(C)c1cnc(NC(=O)C2CC2)s1
COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1CCN(C(=O)C=C)C(C)(C)C1
COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1CCN(CC1(C)C)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1[C@H]2CC[C@@H]1CN(C2)C(=O)C=C |r,THB:23:25:30.31.32:27.28|
COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1CCN(C[C@@H]1C)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1CC2(C1)CCN(C2)C(=O)C=C
COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N(C)[C@@H]1CCN(C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCCN([C@@H](C1)C(C)C)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@@H](C1)C(C)C)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1CCCN([C@@H](C1)C(C)C)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C=C |r,THB:32:31:24.25.30:27.28|
COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCN(C[C@@H]1C)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CC2(C1)CCN(C2)C(=O)C=C
COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCN([C@@H](C1)C#N)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N(C)[C@@H]1CCN(C1)C(=O)C=C |r|
COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C=C |r,THB:33:32:25.26.31:28.29|
COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1CCN([C@@H](C1)C#N)C(=O)C=C |r|
O[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:4.7,wD:1.0,(-6.5,3.85,;-5.16,3.08,;-5.16,1.54,;-3.83,.77,;-2.5,1.54,;-2.5,3.08,;-3.83,3.85,;-1.16,.77,;-1.16,-.77,;-2.5,-1.54,;-2.5,-3.08,;-1.16,-3.85,;.17,-3.08,;1.64,-3.56,;2.54,-2.31,;1.64,-1.06,;2.03,.42,;.95,1.51,;3.52,.82,;4.61,-.27,;6.1,.13,;6.5,1.62,;5.41,2.71,;3.92,2.31,;2.83,3.4,;.17,-1.54,)|
CC(C)(C)OC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:8.7,11.14,(-7.83,1.54,;-7.83,3.08,;-9.16,3.85,;-9.16,2.31,;-6.5,3.85,;-5.16,3.08,;-5.16,1.54,;-3.83,3.85,;-2.5,3.08,;-1.16,3.85,;.17,3.08,;.17,1.54,;-1.16,.77,;-2.5,1.54,;1.5,.77,;1.5,-.77,;.17,-1.54,;.17,-3.08,;1.5,-3.85,;2.84,-3.08,;4.3,-3.56,;5.21,-2.31,;4.3,-1.06,;4.7,.42,;3.61,1.51,;6.19,.82,;7.28,-.27,;8.77,.13,;9.16,1.62,;8.08,2.71,;6.59,2.31,;5.5,3.4,;2.84,-1.54,)|
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r|
NC1CCCC(C1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12
N[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:1.0,wD:4.7,(-6.5,3.85,;-5.16,3.08,;-3.83,3.85,;-2.5,3.08,;-2.5,1.54,;-3.83,.77,;-5.16,1.54,;-1.16,.77,;-1.16,-.77,;-2.5,-1.54,;-2.5,-3.08,;-1.16,-3.85,;.17,-3.08,;1.64,-3.56,;2.54,-2.31,;1.64,-1.06,;2.03,.42,;.95,1.51,;3.52,.82,;4.61,-.27,;6.1,.13,;6.5,1.62,;5.41,2.71,;3.92,2.31,;2.83,3.4,;.17,-1.54,)|
O[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:1.0,4.7,(-6.5,3.85,;-5.16,3.08,;-3.83,3.85,;-2.5,3.08,;-2.5,1.54,;-3.83,.77,;-5.16,1.54,;-1.16,.77,;-1.16,-.77,;-2.5,-1.54,;-2.5,-3.08,;-1.16,-3.85,;.17,-3.08,;1.64,-3.56,;2.54,-2.31,;1.64,-1.06,;2.03,.42,;.95,1.51,;3.52,.82,;4.61,-.27,;6.1,.13,;6.5,1.62,;5.41,2.71,;3.92,2.31,;2.83,3.4,;.17,-1.54,)|
N[C@H]1CC[C@H](C1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r|
CN1CCC(CC(=O)N[C@H]2CC[C@@H](CC2)Nc2ncnc3[nH]cc(C(=O)c4ccccc4Cl)c23)CC1 |r,wU:9.8,wD:12.15,(-10.5,.77,;-9.16,1.54,;-9.16,3.08,;-7.83,3.85,;-6.5,3.08,;-5.16,3.85,;-3.83,3.08,;-3.83,1.54,;-2.5,3.85,;-1.16,3.08,;.17,3.85,;1.5,3.08,;1.5,1.54,;.17,.77,;-1.16,1.54,;2.84,.77,;2.84,-.77,;1.5,-1.54,;1.5,-3.08,;2.84,-3.85,;4.17,-3.08,;5.64,-3.56,;6.54,-2.31,;5.64,-1.06,;6.04,.42,;4.95,1.51,;7.52,.82,;8.61,-.27,;10.1,.13,;10.5,1.62,;9.41,2.71,;7.92,2.31,;6.83,3.4,;4.17,-1.54,;-6.5,1.54,;-7.83,.77,)|
CN1CCC(CC(=O)N[C@H]2CC[C@H](CC2)Nc2ncnc3[nH]cc(C(=O)c4ccccc4Cl)c23)CC1 |r,wU:9.8,12.15,(-10.5,.77,;-9.16,1.54,;-9.16,3.08,;-7.83,3.85,;-6.5,3.08,;-5.16,3.85,;-3.83,3.08,;-3.83,1.54,;-2.5,3.85,;-1.16,3.08,;.17,3.85,;1.5,3.08,;1.5,1.54,;.17,.77,;-1.16,1.54,;2.84,.77,;2.84,-.77,;1.5,-1.54,;1.5,-3.08,;2.84,-3.85,;4.17,-3.08,;5.64,-3.56,;6.54,-2.31,;5.64,-1.06,;6.04,.42,;4.95,1.51,;7.52,.82,;8.61,-.27,;10.1,.13,;10.5,1.62,;9.41,2.71,;7.92,2.31,;6.83,3.4,;4.17,-1.54,;-6.5,1.54,;-7.83,.77,)|
CN1CCC(CC(=O)N[C@H]2CC[C@H](C2)Nc2ncnc3[nH]cc(C(=O)c4ccccc4Cl)c23)CC1 |r|
CN1CCC(CC(=O)NC2CCCC(C2)Nc2ncnc3[nH]cc(C(=O)c4ccccc4Cl)c23)CC1
Cc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CC3)NC(=O)OC(C)(C)C)c12 |r,wU:21.25,18.18,(6.88,-1.75,;7.28,-.27,;8.77,.13,;9.16,1.62,;8.08,2.71,;6.59,2.31,;6.19,.82,;4.7,.42,;3.61,1.51,;4.3,-1.06,;5.21,-2.31,;4.3,-3.56,;2.84,-3.08,;1.5,-3.85,;.17,-3.08,;.17,-1.54,;1.5,-.77,;1.5,.77,;.17,1.54,;.17,3.08,;-1.16,3.85,;-2.5,3.08,;-2.5,1.54,;-1.16,.77,;-3.83,3.85,;-5.16,3.08,;-5.16,1.54,;-6.5,3.85,;-7.83,3.08,;-9.16,3.85,;-7.83,1.54,;-6.5,2.31,;2.84,-1.54,)|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CO)OC3)c12 |r|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@H](N)CC3)c12 |r,wU:21.22,18.18,(4.21,-1.75,;4.61,-.27,;6.1,.13,;6.5,1.62,;5.41,2.71,;3.92,2.31,;3.52,.82,;2.03,.42,;.95,1.51,;1.64,-1.06,;2.54,-2.31,;1.64,-3.56,;.17,-3.08,;-1.16,-3.85,;-2.5,-3.08,;-2.5,-1.54,;-1.16,-.77,;-1.16,.77,;-2.5,1.54,;-2.5,3.08,;-3.83,3.85,;-5.16,3.08,;-6.5,3.85,;-5.16,1.54,;-3.83,.77,;.17,-1.54,)|
CN1CCN(CC(=O)N[C@H]2CC[C@H](CC2)Nc2ncnc3[nH]cc(C(=O)c4ccccc4C)c23)CC1 |r,wU:9.8,12.15,(-10.5,.77,;-9.16,1.54,;-9.16,3.08,;-7.83,3.85,;-6.5,3.08,;-5.16,3.85,;-3.83,3.08,;-3.83,1.54,;-2.5,3.85,;-1.16,3.08,;.17,3.85,;1.5,3.08,;1.5,1.54,;.17,.77,;-1.16,1.54,;2.84,.77,;2.84,-.77,;1.5,-1.54,;1.5,-3.08,;2.84,-3.85,;4.17,-3.08,;5.64,-3.56,;6.54,-2.31,;5.64,-1.06,;6.04,.42,;4.95,1.51,;7.52,.82,;7.92,2.31,;9.41,2.71,;10.5,1.62,;10.1,.13,;8.61,-.27,;8.21,-1.75,;4.17,-1.54,;-6.5,1.54,;-7.83,.77,)|
CN1CCC(CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3C)c12
Cc1ccccc1C(=O)c1c[nH]c2ncnc(NC3CCN(CC3)C(=O)OC(C)(C)C)c12
CN(C)[C@@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3C)c12 |r,wU:3.2,6.9,(-7.16,2.31,;-5.83,3.08,;-5.83,4.62,;-4.5,2.31,;-4.5,.77,;-3.16,,;-1.83,.77,;-1.83,2.31,;-3.16,3.08,;-.5,,;-.5,-1.54,;-1.83,-2.31,;-1.83,-3.85,;-.5,-4.62,;.84,-3.85,;2.3,-4.33,;3.21,-3.08,;2.3,-1.83,;2.7,-.35,;1.61,.74,;4.19,.05,;4.59,1.54,;6.08,1.94,;7.16,.85,;6.77,-.64,;5.28,-1.04,;4.88,-2.52,;.84,-2.31,)|
COC(=O)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3C)c12 |r,wU:4.3,wD:7.10,(-7.16,.77,;-7.16,2.31,;-5.83,3.08,;-5.83,4.62,;-4.5,2.31,;-3.16,3.08,;-1.83,2.31,;-1.83,.77,;-3.16,,;-4.5,.77,;-.5,,;-.5,-1.54,;-1.83,-2.31,;-1.83,-3.85,;-.5,-4.62,;.84,-3.85,;2.3,-4.33,;3.21,-3.08,;2.3,-1.83,;2.7,-.35,;1.61,.74,;4.19,.05,;4.59,1.54,;6.08,1.94,;7.16,.85,;6.77,-.64,;5.28,-1.04,;4.88,-2.52,;.84,-2.31,)|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@H](OC3)C(C)(C)O)c12 |r|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@H]3CC[C@H](O)OC3)c12 |r|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@H](O)CC3)c12 |r,wU:21.22,18.18,(2.83,3.4,;3.92,2.31,;5.41,2.71,;6.5,1.62,;6.1,.13,;4.61,-.27,;3.52,.82,;2.03,.42,;.95,1.51,;1.64,-1.06,;2.54,-2.31,;1.64,-3.56,;.17,-3.08,;-1.16,-3.85,;-2.5,-3.08,;-2.5,-1.54,;-1.16,-.77,;-1.16,.77,;-2.5,1.54,;-2.5,3.08,;-3.83,3.85,;-5.16,3.08,;-6.5,3.85,;-5.16,1.54,;-3.83,.77,;.17,-1.54,)|
CN1CCN(CC1)C(=O)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3C)c12 |r,wU:9.9,wD:12.16,(-9.16,,;-7.83,.77,;-7.83,2.31,;-6.5,3.08,;-5.16,2.31,;-5.16,.77,;-6.5,,;-3.83,3.08,;-3.83,4.62,;-2.5,2.31,;-1.16,3.08,;.17,2.31,;.17,.77,;-1.16,,;-2.5,.77,;1.5,,;1.5,-1.54,;.17,-2.31,;.17,-3.85,;1.5,-4.62,;2.84,-3.85,;4.3,-4.33,;5.21,-3.08,;4.3,-1.83,;4.7,-.35,;3.61,.74,;6.19,.05,;6.59,1.54,;8.08,1.94,;9.16,.85,;8.77,-.64,;7.28,-1.04,;6.88,-2.52,;2.84,-2.31,)|
C[C@@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3C)c12 |r|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CC3)NC(=O)c3ccc(cc3)C(C)(C)C)c12 |r,wU:21.25,18.18,(8.21,-3.68,;8.61,-2.19,;10.1,-1.79,;10.5,-.31,;9.41,.78,;7.92,.38,;7.52,-1.1,;6.04,-1.5,;4.95,-.41,;5.64,-2.99,;6.54,-4.23,;5.64,-5.48,;4.17,-5,;2.84,-5.77,;1.5,-5,;1.5,-3.46,;2.84,-2.69,;2.84,-1.15,;1.5,-.38,;1.5,1.16,;.17,1.93,;-1.16,1.16,;-1.16,-.38,;.17,-1.15,;-2.5,1.93,;-3.83,1.15,;-3.83,-.39,;-5.16,1.92,;-6.5,1.15,;-7.83,1.92,;-7.83,3.46,;-6.5,4.24,;-5.16,3.46,;-9.16,4.23,;-10.5,3.46,;-9.16,5.77,;-10.5,5,;4.17,-3.46,)|
N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3)c12 |r,wU:1.0,4.7,(-6.5,3.85,;-5.16,3.08,;-3.83,3.85,;-2.5,3.08,;-2.5,1.54,;-3.83,.77,;-5.16,1.54,;-1.16,.77,;-1.16,-.77,;-2.5,-1.54,;-2.5,-3.08,;-1.16,-3.85,;.17,-3.08,;1.64,-3.56,;2.54,-2.31,;1.64,-1.06,;2.03,.42,;.95,1.51,;3.52,.82,;4.61,-.27,;6.1,.13,;6.5,1.62,;5.41,2.71,;3.92,2.31,;.17,-1.54,)|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(NC[C@H]3COCCO3)c12 |r|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CC3)NC(=O)CN3CCN(CC3)C(=O)c3ccc(cc3)C(C)(C)C)c12 |r,wU:21.25,18.18,(8.88,-.21,;9.28,1.27,;10.77,1.67,;11.16,3.16,;10.08,4.25,;8.59,3.85,;8.19,2.36,;6.7,1.96,;5.61,3.05,;6.3,.48,;7.21,-.77,;6.3,-2.02,;4.84,-1.54,;3.51,-2.31,;2.17,-1.54,;2.17,,;3.51,.77,;3.51,2.31,;2.17,3.08,;2.17,4.62,;.84,5.39,;-.5,4.62,;-.5,3.08,;.84,2.31,;-1.83,5.39,;-3.16,4.62,;-3.16,3.08,;-4.5,5.39,;-5.83,4.62,;-7.16,5.39,;-8.5,4.62,;-8.5,3.08,;-7.16,2.31,;-5.83,3.08,;-9.83,2.31,;-11.16,3.08,;-9.83,.77,;-8.5,,;-8.5,-1.54,;-9.83,-2.31,;-11.16,-1.54,;-11.16,,;-9.83,-3.85,;-11.16,-4.62,;-8.5,-4.62,;-9.83,-5.39,;4.84,,)|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CC3)NC(=O)CN3CCN(CC3)C(=O)c3ccccc3)c12 |r,wU:21.25,18.18,(8.88,-1.75,;9.28,-.27,;10.77,.13,;11.16,1.62,;10.08,2.71,;8.59,2.31,;8.19,.82,;6.7,.42,;5.61,1.51,;6.3,-1.06,;7.21,-2.31,;6.3,-3.56,;4.84,-3.08,;3.51,-3.85,;2.17,-3.08,;2.17,-1.54,;3.51,-.77,;3.51,.77,;2.17,1.54,;2.17,3.08,;.84,3.85,;-.5,3.08,;-.5,1.54,;.84,.77,;-1.83,3.85,;-3.16,3.08,;-3.16,1.54,;-4.5,3.85,;-5.83,3.08,;-7.16,3.85,;-8.5,3.08,;-8.5,1.54,;-7.16,.77,;-5.83,1.54,;-9.83,.77,;-11.16,1.54,;-9.83,-.77,;-11.16,-1.54,;-11.16,-3.08,;-9.83,-3.85,;-8.5,-3.08,;-8.5,-1.54,;4.84,-1.54,)|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CC3)NC(=O)c3ccccc3)c12 |r,wU:21.25,18.18,(6.88,-2.91,;7.28,-1.42,;8.77,-1.02,;9.16,.46,;8.08,1.55,;6.59,1.15,;6.19,-.33,;4.7,-.73,;3.61,.36,;4.3,-2.22,;5.21,-3.46,;4.3,-4.71,;2.84,-4.23,;1.5,-5,;.17,-4.23,;.17,-2.69,;1.5,-1.92,;1.5,-.38,;.17,.39,;.17,1.93,;-1.16,2.7,;-2.5,1.93,;-2.5,.39,;-1.16,-.38,;-3.83,2.7,;-5.16,1.92,;-5.16,.38,;-6.5,2.69,;-7.83,1.92,;-9.16,2.69,;-9.16,4.23,;-7.83,5,;-6.5,4.23,;2.84,-2.69,)|
CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3C)c12 |r,wU:4.3,7.10,(-7.83,3.85,;-6.5,3.08,;-6.5,1.54,;-5.16,3.85,;-3.83,3.08,;-2.5,3.85,;-1.16,3.08,;-1.16,1.54,;-2.5,.77,;-3.83,1.54,;.17,.77,;.17,-.77,;-1.16,-1.54,;-1.16,-3.08,;.17,-3.85,;1.5,-3.08,;2.97,-3.56,;3.87,-2.31,;2.97,-1.06,;3.37,.42,;2.28,1.51,;4.86,.82,;5.25,2.31,;6.74,2.71,;7.83,1.62,;7.43,.13,;5.94,-.27,;5.55,-1.75,;1.5,-1.54,)|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@H](OC3)C(=O)NCC3CCOCC3)c12 |r|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(NC[C@@H]3CC[C@H](CO3)NC(=O)OC(C)(C)C)c12 |r|
Clc1ccccc1C(=O)c1c[nH]c2ncnc(NC3CCC(=O)CC3)c12
C[C@@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CC3)NCc3ccccc3)c12 |r,wU:21.25,18.18,(6.88,-2.91,;7.28,-1.42,;8.77,-1.02,;9.16,.46,;8.08,1.55,;6.59,1.15,;6.19,-.33,;4.7,-.73,;3.61,.36,;4.3,-2.22,;5.21,-3.46,;4.3,-4.71,;2.84,-4.23,;1.5,-5,;.17,-4.23,;.17,-2.69,;1.5,-1.92,;1.5,-.38,;.17,.39,;.17,1.93,;-1.16,2.7,;-2.5,1.93,;-2.5,.39,;-1.16,-.38,;-3.83,2.7,;-5.16,1.93,;-6.5,2.69,;-6.5,4.23,;-7.83,5,;-9.16,4.23,;-9.16,2.69,;-7.83,1.92,;2.84,-2.69,)|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CC3)NC(=O)CN3CCN(Cc4ccccc4)CC3)c12 |r,wU:21.25,18.18,(8.88,-1.75,;9.28,-.27,;10.77,.13,;11.16,1.62,;10.08,2.71,;8.59,2.31,;8.19,.82,;6.7,.42,;5.61,1.51,;6.3,-1.06,;7.21,-2.31,;6.3,-3.56,;4.84,-3.08,;3.51,-3.85,;2.17,-3.08,;2.17,-1.54,;3.51,-.77,;3.51,.77,;2.17,1.54,;2.17,3.08,;.84,3.85,;-.5,3.08,;-.5,1.54,;.84,.77,;-1.83,3.85,;-3.16,3.08,;-3.16,1.54,;-4.5,3.85,;-5.83,3.08,;-7.16,3.85,;-8.5,3.08,;-8.5,1.54,;-9.83,.77,;-9.83,-.77,;-11.16,-1.54,;-11.16,-3.08,;-9.83,-3.85,;-8.5,-3.08,;-8.5,-1.54,;-7.16,.77,;-5.83,1.54,;4.84,-1.54,)|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@H](CO)CC3)c12 |r,wU:21.22,18.18,(4.88,-1.75,;5.28,-.27,;6.77,.13,;7.16,1.62,;6.08,2.71,;4.59,2.31,;4.19,.82,;2.7,.42,;1.61,1.51,;2.3,-1.06,;3.21,-2.31,;2.3,-3.56,;.84,-3.08,;-.5,-3.85,;-1.83,-3.08,;-1.83,-1.54,;-.5,-.77,;-.5,.77,;-1.83,1.54,;-1.83,3.08,;-3.16,3.85,;-4.5,3.08,;-5.83,3.85,;-7.16,3.08,;-4.5,1.54,;-3.16,.77,;.84,-1.54,)|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@H](OC3)C(=O)NC[C@H]3COCCO3)c12 |r|
CN[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:2.1,5.8,(-7.16,3.08,;-5.83,3.85,;-4.5,3.08,;-3.16,3.85,;-1.83,3.08,;-1.83,1.54,;-3.16,.77,;-4.5,1.54,;-.5,.77,;-.5,-.77,;-1.83,-1.54,;-1.83,-3.08,;-.5,-3.85,;.84,-3.08,;2.3,-3.56,;3.21,-2.31,;2.3,-1.06,;2.7,.42,;1.61,1.51,;4.19,.82,;4.59,2.31,;6.08,2.71,;7.16,1.62,;6.77,.13,;5.28,-.27,;4.88,-1.75,;.84,-1.54,)|
CN(C)[C@@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:3.2,6.9,(-7.16,2.31,;-5.83,3.08,;-5.83,4.62,;-4.5,2.31,;-4.5,.77,;-3.16,,;-1.83,.77,;-1.83,2.31,;-3.16,3.08,;-.5,,;-.5,-1.54,;-1.83,-2.31,;-1.83,-3.85,;-.5,-4.62,;.84,-3.85,;2.3,-4.33,;3.21,-3.08,;2.3,-1.83,;2.7,-.35,;1.61,.74,;4.19,.05,;4.59,1.54,;6.08,1.94,;7.16,.85,;6.77,-.64,;5.28,-1.04,;4.88,-2.52,;.84,-2.31,)|
CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:4.3,7.10,(-7.83,3.85,;-6.5,3.08,;-6.5,1.54,;-5.16,3.85,;-3.83,3.08,;-2.5,3.85,;-1.16,3.08,;-1.16,1.54,;-2.5,.77,;-3.83,1.54,;.17,.77,;.17,-.77,;-1.16,-1.54,;-1.16,-3.08,;.17,-3.85,;1.5,-3.08,;2.97,-3.56,;3.87,-2.31,;2.97,-1.06,;3.37,.42,;2.28,1.51,;4.86,.82,;5.25,2.31,;6.74,2.71,;7.83,1.62,;7.43,.13,;5.94,-.27,;5.55,-1.75,;1.5,-1.54,)|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(NC[C@@H]3CC[C@@H](N)CO3)c12 |r|
CN1CCN(CC(=O)NC[C@@H]2CC[C@H](CO2)Nc2ncnc3[nH]cc(C(=O)c4ccccc4C)c23)CC1 |r|
Clc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@H](OC3)C(=O)NCC3CCOCC3)c12 |r|
CC(C)(O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r|
CN([C@@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12)C(C)=O |r,wU:2.1,5.8,(-5.16,4.62,;-5.16,3.08,;-3.83,2.31,;-3.83,.77,;-2.5,,;-1.16,.77,;-1.16,2.31,;-2.5,3.08,;.17,,;.17,-1.54,;-1.16,-2.31,;-1.16,-3.85,;.17,-4.62,;1.5,-3.85,;2.97,-4.33,;3.87,-3.08,;2.97,-1.83,;3.37,-.35,;2.28,.74,;4.86,.05,;5.25,1.54,;6.74,1.94,;7.83,.85,;7.43,-.64,;5.94,-1.04,;5.55,-2.52,;1.5,-2.31,;-6.5,2.31,;-7.83,3.08,;-6.5,.77,)|
Clc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@H]3CC[C@H](CC3)N3CCCC3=O)c12 |r,wU:18.18,21.25,(5.46,-2.49,;5.86,-1,;7.34,-.6,;7.74,.89,;6.65,1.98,;5.17,1.58,;4.77,.09,;3.28,-.31,;2.19,.78,;2.88,-1.8,;3.79,-3.04,;2.88,-4.29,;1.42,-3.81,;.08,-4.58,;-1.25,-3.81,;-1.25,-2.27,;.08,-1.5,;.08,.04,;-1.25,.81,;-2.58,.04,;-3.92,.81,;-3.92,2.35,;-2.58,3.12,;-1.25,2.35,;-5.25,3.12,;-5.73,4.58,;-7.27,4.58,;-7.74,3.12,;-6.5,2.21,;-6.5,.67,;1.42,-2.27,)|
CC(=O)N1CCC(CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3C)c12
COCC(=O)N1CCC(CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3C)c12
COCCC(=O)N1CCC(CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3C)c12
CN(C)CC(=O)N1CCC(CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3C)c12
COCCN1CCC(CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3C)c12
Cc1ccccc1C(=O)c1c[nH]c2ncnc(NCC3CC[C@H](N)CC3)c12 |r,wU:22.23,(4.88,-1.18,;5.28,.3,;6.77,.7,;7.16,2.19,;6.08,3.28,;4.59,2.88,;4.19,1.39,;2.7,.99,;1.61,2.08,;2.3,-.49,;3.21,-1.74,;2.3,-2.98,;.84,-2.51,;-.5,-3.28,;-1.83,-2.51,;-1.83,-.97,;-.5,-.2,;-.5,1.34,;-1.83,2.11,;-3.16,1.34,;-4.5,2.11,;-5.83,1.34,;-5.83,-.2,;-7.16,-.97,;-4.5,-.97,;-3.16,-.2,;.84,-.97,)|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(NC3CC[C@H](CN)CC3)c12 |r,wU:21.22,(4.88,-1.75,;5.28,-.27,;6.77,.13,;7.16,1.62,;6.08,2.71,;4.59,2.31,;4.19,.82,;2.7,.42,;1.61,1.51,;2.3,-1.06,;3.21,-2.31,;2.3,-3.56,;.84,-3.08,;-.5,-3.85,;-1.83,-3.08,;-1.83,-1.54,;-.5,-.77,;-.5,.77,;-1.83,1.54,;-1.83,3.08,;-3.16,3.85,;-4.5,3.08,;-5.83,3.85,;-7.16,3.08,;-4.5,1.54,;-3.16,.77,;.84,-1.54,)|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(NC3CC[C@@H](CC3)NCc3ccc(cc3)C(C)(C)C)c12 |r,wU:21.25,(5.55,-1.37,;5.94,.12,;7.43,.52,;7.83,2,;6.74,3.09,;5.25,2.69,;4.86,1.21,;3.37,.81,;2.28,1.9,;2.97,-.68,;3.87,-1.92,;2.97,-3.17,;1.5,-2.69,;.17,-3.46,;-1.16,-2.69,;-1.16,-1.15,;.17,-.38,;.17,1.16,;-1.16,1.93,;-1.16,3.47,;-2.5,4.24,;-3.83,3.47,;-3.83,1.93,;-2.5,1.16,;-5.16,4.24,;-6.5,3.46,;-6.5,1.92,;-7.83,1.15,;-7.83,-.39,;-6.5,-1.16,;-5.16,-.39,;-5.16,1.15,;-6.5,-2.7,;-5.16,-3.47,;-7.83,-3.47,;-6.5,-4.24,;1.5,-1.15,)|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(NC3CC[C@@H](CC3)NCc3cc(Cl)cc(Cl)c3)c12 |r,wU:21.25,(6.21,-1.75,;6.61,-.27,;8.1,.13,;8.5,1.62,;7.41,2.71,;5.92,2.31,;5.52,.82,;4.03,.42,;2.95,1.51,;3.64,-1.06,;4.54,-2.31,;3.64,-3.56,;2.17,-3.08,;.84,-3.85,;-.5,-3.08,;-.5,-1.54,;.84,-.77,;.84,.77,;-.5,1.54,;-.5,3.08,;-1.83,3.85,;-3.16,3.08,;-3.16,1.54,;-1.83,.77,;-4.5,3.85,;-5.83,3.08,;-5.83,1.54,;-7.16,.77,;-7.16,-.77,;-8.5,-1.54,;-5.83,-1.54,;-4.5,-.77,;-3.16,-1.54,;-4.5,.77,;2.17,-1.54,)|
CN([C@@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12)C(=O)CC1CCOCC1 |r,wU:2.1,5.8,(-3.16,4.62,;-3.16,3.08,;-1.83,2.31,;-1.83,.77,;-.5,,;.84,.77,;.84,2.31,;-.5,3.08,;2.17,,;2.17,-1.54,;.84,-2.31,;.84,-3.85,;2.17,-4.62,;3.51,-3.85,;4.97,-4.33,;5.88,-3.08,;4.97,-1.83,;5.37,-.35,;4.28,.74,;6.86,.05,;7.25,1.54,;8.74,1.94,;9.83,.85,;9.43,-.64,;7.95,-1.04,;7.55,-2.52,;3.51,-2.31,;-4.5,2.31,;-4.5,.77,;-5.83,3.08,;-7.16,2.31,;-8.5,3.08,;-9.83,2.31,;-9.83,.77,;-8.5,,;-7.16,.77,)|
OC(=O)[C@@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:3.2,6.9,(-7.16,2.31,;-5.83,3.08,;-5.83,4.62,;-4.5,2.31,;-4.5,.77,;-3.16,,;-1.83,.77,;-1.83,2.31,;-3.16,3.08,;-.5,,;-.5,-1.54,;-1.83,-2.31,;-1.83,-3.85,;-.5,-4.62,;.84,-3.85,;2.3,-4.33,;3.21,-3.08,;2.3,-1.83,;2.7,-.35,;1.61,.74,;4.19,.05,;4.59,1.54,;6.08,1.94,;7.16,.85,;6.77,-.64,;5.28,-1.04,;4.88,-2.52,;.84,-2.31,)|
NC(=O)[C@@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:3.2,6.9,(-7.16,2.31,;-5.83,3.08,;-5.83,4.62,;-4.5,2.31,;-4.5,.77,;-3.16,,;-1.83,.77,;-1.83,2.31,;-3.16,3.08,;-.5,,;-.5,-1.54,;-1.83,-2.31,;-1.83,-3.85,;-.5,-4.62,;.84,-3.85,;2.3,-4.33,;3.21,-3.08,;2.3,-1.83,;2.7,-.35,;1.61,.74,;4.19,.05,;4.59,1.54,;6.08,1.94,;7.16,.85,;6.77,-.64,;5.28,-1.04,;4.88,-2.52,;.84,-2.31,)|
CN(C)C(=O)[C@@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:5.4,8.11,(-7.83,3.08,;-6.5,2.31,;-6.5,.77,;-5.16,3.08,;-5.16,4.62,;-3.83,2.31,;-3.83,.77,;-2.5,,;-1.16,.77,;-1.16,2.31,;-2.5,3.08,;.17,,;.17,-1.54,;-1.16,-2.31,;-1.16,-3.85,;.17,-4.62,;1.5,-3.85,;2.97,-4.33,;3.87,-3.08,;2.97,-1.83,;3.37,-.35,;2.28,.74,;4.86,.05,;5.25,1.54,;6.74,1.94,;7.83,.85,;7.43,-.64,;5.94,-1.04,;5.55,-2.52,;1.5,-2.31,)|
Clc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@H]3CC[C@H](CC3)C(=O)NC3CCOCC3)c12 |r,wU:21.25,18.18,(6.88,-2.91,;7.28,-1.42,;8.77,-1.02,;9.16,.46,;8.08,1.55,;6.59,1.15,;6.19,-.33,;4.7,-.73,;3.61,.36,;4.3,-2.22,;5.21,-3.46,;4.3,-4.71,;2.84,-4.23,;1.5,-5,;.17,-4.23,;.17,-2.69,;1.5,-1.92,;1.5,-.38,;.17,.39,;-1.16,-.38,;-2.5,.39,;-2.5,1.93,;-1.16,2.7,;.17,1.93,;-3.83,2.7,;-3.83,4.24,;-5.16,1.92,;-6.5,2.69,;-7.83,1.92,;-9.16,2.69,;-9.16,4.23,;-7.83,5,;-6.5,4.23,;2.84,-2.69,)|
Clc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@H]3CC[C@H](CC3)C(=O)NCC3CCOCC3)c12 |r,wU:21.25,18.18,(7.55,-2.52,;7.95,-1.04,;9.43,-.64,;9.83,.85,;8.74,1.94,;7.25,1.54,;6.86,.05,;5.37,-.35,;4.28,.74,;4.97,-1.83,;5.88,-3.08,;4.97,-4.33,;3.51,-3.85,;2.17,-4.62,;.84,-3.85,;.84,-2.31,;2.17,-1.54,;2.17,,;.84,.77,;-.5,,;-1.83,.77,;-1.83,2.31,;-.5,3.08,;.84,2.31,;-3.16,3.08,;-3.16,4.62,;-4.5,2.31,;-5.83,3.08,;-7.16,2.31,;-8.5,3.08,;-9.83,2.31,;-9.83,.77,;-8.5,,;-7.16,.77,;3.51,-2.31,)|
Clc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@H]3CC[C@H](CC3)C(=O)NCCc3cccnc3)c12 |r,wU:21.25,18.18,(8.21,-2.91,;8.61,-1.42,;10.1,-1.02,;10.5,.46,;9.41,1.55,;7.92,1.15,;7.52,-.33,;6.04,-.73,;4.95,.36,;5.64,-2.22,;6.54,-3.46,;5.64,-4.71,;4.17,-4.23,;2.84,-5,;1.5,-4.23,;1.5,-2.69,;2.84,-1.92,;2.84,-.38,;1.5,.39,;.17,-.38,;-1.16,.39,;-1.16,1.93,;.17,2.7,;1.5,1.93,;-2.5,2.7,;-2.5,4.24,;-3.83,1.92,;-5.16,2.69,;-6.5,1.92,;-7.83,2.69,;-9.16,1.92,;-10.5,2.69,;-10.5,4.23,;-9.16,5,;-7.83,4.23,;4.17,-2.69,)|
CNC(=O)[C@@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:4.3,7.10,(-7.83,3.08,;-6.5,2.31,;-5.16,3.08,;-5.16,4.62,;-3.83,2.31,;-3.83,.77,;-2.5,,;-1.16,.77,;-1.16,2.31,;-2.5,3.08,;.17,,;.17,-1.54,;-1.16,-2.31,;-1.16,-3.85,;.17,-4.62,;1.5,-3.85,;2.97,-4.33,;3.87,-3.08,;2.97,-1.83,;3.37,-.35,;2.28,.74,;4.86,.05,;5.25,1.54,;6.74,1.94,;7.83,.85,;7.43,-.64,;5.94,-1.04,;5.55,-2.52,;1.5,-2.31,)|
Clc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@H]3CC[C@H](CC3)N3CCCC3)c12 |r,wU:21.25,18.18,(4.02,2.39,;5.11,1.3,;6.59,1.7,;7.68,.61,;7.28,-.88,;5.8,-1.27,;4.71,-.19,;3.22,-.58,;2.13,.5,;2.82,-2.07,;3.73,-3.32,;2.82,-4.56,;1.36,-4.09,;.02,-4.86,;-1.31,-4.09,;-1.31,-2.55,;.02,-1.78,;.02,-.24,;-1.31,.53,;-2.64,-.24,;-3.98,.53,;-3.98,2.07,;-2.64,2.84,;-1.31,2.07,;-5.31,2.84,;-5.31,4.38,;-6.78,4.86,;-7.68,3.61,;-6.78,2.37,;1.36,-2.55,)|
Clc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@H]3CC[C@H](CC3)N3CCC3)c12 |r,wU:21.25,18.18,(3.77,2.65,;4.86,1.57,;6.35,1.96,;7.44,.88,;7.04,-.61,;5.55,-1.01,;4.47,.08,;2.98,-.32,;1.89,.77,;2.58,-1.81,;3.48,-3.05,;2.58,-4.3,;1.11,-3.82,;-.22,-4.59,;-1.55,-3.82,;-1.55,-2.28,;-.22,-1.51,;-.22,.03,;-1.55,.8,;-2.89,.03,;-4.22,.8,;-4.22,2.34,;-2.89,3.11,;-1.55,2.34,;-5.55,3.11,;-5.95,4.59,;-7.44,4.2,;-7.04,2.71,;1.11,-2.28,)|
Clc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC3)c12 |r,wU:18.18,wD:21.25,(3.77,2.65,;4.86,1.57,;6.35,1.96,;7.44,.88,;7.04,-.61,;5.55,-1.01,;4.47,.08,;2.98,-.32,;1.89,.77,;2.58,-1.81,;3.48,-3.05,;2.58,-4.3,;1.11,-3.82,;-.22,-4.59,;-1.55,-3.82,;-1.55,-2.28,;-.22,-1.51,;-.22,.03,;-1.55,.8,;-2.89,.03,;-4.22,.8,;-4.22,2.34,;-2.89,3.11,;-1.55,2.34,;-5.55,3.11,;-5.95,4.59,;-7.44,4.2,;-7.04,2.71,;1.11,-2.28,)|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(NC[C@H]3CC[C@H](CC3)NC(C)(C)C(=O)NCc3ccc(cc3)C(C)(C)C)c12 |r,wU:19.19,22.26,(7.55,2.67,;7.95,4.15,;9.43,4.55,;9.83,6.04,;8.74,7.13,;7.25,6.73,;6.86,5.24,;5.37,4.84,;4.28,5.93,;4.97,3.36,;5.88,2.11,;4.97,.87,;3.51,1.34,;2.17,.57,;.84,1.34,;.84,2.88,;2.17,3.65,;2.17,5.19,;.84,5.96,;-.5,5.19,;-.5,3.65,;-1.83,2.88,;-3.16,3.65,;-3.16,5.19,;-1.83,5.96,;-4.5,2.88,;-5.83,3.65,;-6.6,4.98,;-5.06,4.98,;-7.16,2.88,;-8.5,3.65,;-7.16,1.34,;-8.5,.57,;-8.5,-.97,;-9.83,-1.74,;-9.83,-3.28,;-8.5,-4.05,;-7.16,-3.28,;-7.16,-1.74,;-8.5,-5.59,;-9.83,-6.36,;-7.16,-6.36,;-8.5,-7.13,;3.51,2.88,)|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(NC[C@H]3CC[C@H](CC3)NC(C)(C)C(=O)NCc3ccccc3)c12 |r,wU:19.19,22.26,(7.55,1.13,;7.95,2.61,;9.43,3.01,;9.83,4.5,;8.74,5.59,;7.25,5.19,;6.86,3.7,;5.37,3.3,;4.28,4.39,;4.97,1.82,;5.88,.57,;4.97,-.67,;3.51,-.2,;2.17,-.97,;.84,-.2,;.84,1.34,;2.17,2.11,;2.17,3.65,;.84,4.42,;-.5,3.65,;-.5,2.11,;-1.83,1.34,;-3.16,2.11,;-3.16,3.65,;-1.83,4.42,;-4.5,1.34,;-5.83,2.11,;-6.6,3.44,;-5.06,3.44,;-7.16,1.34,;-8.5,2.11,;-7.16,-.2,;-8.5,-.97,;-8.5,-2.51,;-9.83,-3.28,;-9.83,-4.82,;-8.5,-5.59,;-7.16,-4.82,;-7.16,-3.28,;3.51,1.34,)|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(NC[C@H]3CC[C@H](CC3)NC(=O)c3ccccc3)c12 |r,wU:19.19,22.26,(7.55,-1.18,;7.95,.3,;9.43,.7,;9.83,2.19,;8.74,3.28,;7.25,2.88,;6.86,1.39,;5.37,.99,;4.28,2.08,;4.97,-.49,;5.88,-1.74,;4.97,-2.98,;3.51,-2.51,;2.17,-3.28,;.84,-2.51,;.84,-.97,;2.17,-.2,;2.17,1.34,;.84,2.11,;-.5,1.34,;-.5,-.2,;-1.83,-.97,;-3.16,-.2,;-3.16,1.34,;-1.83,2.11,;-4.5,-.97,;-5.83,-.2,;-5.83,1.34,;-7.16,-.97,;-8.5,-.2,;-9.83,-.97,;-9.83,-2.51,;-8.5,-3.28,;-7.16,-2.51,;3.51,-.97,)|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@H](CNC(=O)c4ccccc4)CC3)c12 |r,wU:18.18,21.22,(7.55,-2.52,;7.95,-1.04,;9.43,-.64,;9.83,.85,;8.74,1.94,;7.25,1.54,;6.86,.05,;5.37,-.35,;4.28,.74,;4.97,-1.83,;5.88,-3.08,;4.97,-4.33,;3.51,-3.85,;2.17,-4.62,;.84,-3.85,;.84,-2.31,;2.17,-1.54,;2.17,,;.84,.77,;.84,2.31,;-.5,3.08,;-1.83,2.31,;-3.16,3.08,;-4.5,2.31,;-5.83,3.08,;-5.83,4.62,;-7.16,2.31,;-8.5,3.08,;-9.83,2.31,;-9.83,.77,;-8.5,,;-7.16,.77,;-1.83,.77,;-.5,,;3.51,-2.31,)|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@H]3CCCC[C@@H]3CO)c12 |r|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(NC3(CO)CCCC3)c12
Clc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@H]3CC[C@H](CC3)C(=O)N3CCOCC3)c12 |r,wU:21.25,18.18,(6.21,-2.52,;6.61,-1.04,;8.1,-.64,;8.5,.85,;7.41,1.94,;5.92,1.54,;5.52,.05,;4.03,-.35,;2.95,.74,;3.64,-1.83,;4.54,-3.08,;3.64,-4.33,;2.17,-3.85,;.84,-4.62,;-.5,-3.85,;-.5,-2.31,;.84,-1.54,;.84,,;-.5,.77,;-1.83,,;-3.16,.77,;-3.16,2.31,;-1.83,3.08,;-.5,2.31,;-4.5,3.08,;-4.5,4.62,;-5.83,2.31,;-7.16,3.08,;-8.5,2.31,;-8.5,.77,;-7.16,,;-5.83,.77,;2.17,-2.31,)|
C[C@H]1CN(C[C@@H](C)O1)C(=O)[C@@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:10.10,13.17,5.5,1.0,(-9.16,3.08,;-7.83,2.31,;-6.5,3.08,;-5.16,2.31,;-5.16,.77,;-6.5,,;-6.5,-1.54,;-7.83,.77,;-3.83,3.08,;-3.83,4.62,;-2.5,2.31,;-2.5,.77,;-1.16,,;.17,.77,;.17,2.31,;-1.16,3.08,;1.5,,;1.5,-1.54,;.17,-2.31,;.17,-3.85,;1.5,-4.62,;2.84,-3.85,;4.3,-4.33,;5.21,-3.08,;4.3,-1.83,;4.7,-.35,;3.61,.74,;6.19,.05,;6.59,1.54,;8.08,1.94,;9.16,.85,;8.77,-.64,;7.28,-1.04,;6.88,-2.52,;2.84,-2.31,)|
Clc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@H]3CC[C@H](CC3)C(=O)N3C[C@@H]4CC[C@H](C3)O4)c12 |r,wU:21.25,18.18,wD:28.36,31.35,(6.88,-2.52,;7.28,-1.04,;8.77,-.64,;9.16,.85,;8.08,1.94,;6.59,1.54,;6.19,.05,;4.7,-.35,;3.61,.74,;4.3,-1.83,;5.21,-3.08,;4.3,-4.33,;2.84,-3.85,;1.5,-4.62,;.17,-3.85,;.17,-2.31,;1.5,-1.54,;1.5,,;.17,.77,;-1.16,,;-2.5,.77,;-2.5,2.31,;-1.16,3.08,;.17,2.31,;-3.83,3.08,;-3.83,4.62,;-5.16,2.31,;-6.5,3.08,;-7.83,2.31,;-9.16,1.54,;-7.83,-.77,;-6.5,,;-5.16,.77,;-7.83,.77,;2.84,-2.31,)|
OC1CN(C1)C(=O)[C@@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:7.7,10.14,(-8.77,.45,;-7.44,1.22,;-7.04,2.71,;-5.55,2.31,;-5.95,.82,;-4.22,3.08,;-4.22,4.62,;-2.89,2.31,;-2.89,.77,;-1.55,,;-.22,.77,;-.22,2.31,;-1.55,3.08,;1.11,,;1.11,-1.54,;-.22,-2.31,;-.22,-3.85,;1.11,-4.62,;2.45,-3.85,;3.91,-4.33,;4.82,-3.08,;3.91,-1.83,;4.31,-.35,;3.22,.74,;5.8,.05,;6.2,1.54,;7.68,1.94,;8.77,.85,;8.38,-.64,;6.89,-1.04,;6.49,-2.52,;2.45,-2.31,)|
CN1CCN(CC1)C(=O)[C@@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:9.9,12.16,(-9.16,,;-7.83,.77,;-7.83,2.31,;-6.5,3.08,;-5.16,2.31,;-5.16,.77,;-6.5,,;-3.83,3.08,;-3.83,4.62,;-2.5,2.31,;-2.5,.77,;-1.16,,;.17,.77,;.17,2.31,;-1.16,3.08,;1.5,,;1.5,-1.54,;.17,-2.31,;.17,-3.85,;1.5,-4.62,;2.84,-3.85,;4.3,-4.33,;5.21,-3.08,;4.3,-1.83,;4.7,-.35,;3.61,.74,;6.19,.05,;6.59,1.54,;8.08,1.94,;9.16,.85,;8.77,-.64,;7.28,-1.04,;6.88,-2.52,;2.84,-2.31,)|
C[C@H]1CN(C[C@@H](C)N1)C(=O)[C@@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:10.10,13.17,5.5,1.0,(-9.16,3.08,;-7.83,2.31,;-6.5,3.08,;-5.16,2.31,;-5.16,.77,;-6.5,,;-6.5,-1.54,;-7.83,.77,;-3.83,3.08,;-3.83,4.62,;-2.5,2.31,;-2.5,.77,;-1.16,,;.17,.77,;.17,2.31,;-1.16,3.08,;1.5,,;1.5,-1.54,;.17,-2.31,;.17,-3.85,;1.5,-4.62,;2.84,-3.85,;4.3,-4.33,;5.21,-3.08,;4.3,-1.83,;4.7,-.35,;3.61,.74,;6.19,.05,;6.59,1.54,;8.08,1.94,;9.16,.85,;8.77,-.64,;7.28,-1.04,;6.88,-2.52,;2.84,-2.31,)|
CC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:7.10,wD:4.3,(-7.83,3.85,;-6.5,3.08,;-6.5,1.54,;-5.16,3.85,;-3.83,3.08,;-3.83,1.54,;-2.5,.77,;-1.16,1.54,;-1.16,3.08,;-2.5,3.85,;.17,.77,;.17,-.77,;-1.16,-1.54,;-1.16,-3.08,;.17,-3.85,;1.5,-3.08,;2.97,-3.56,;3.87,-2.31,;2.97,-1.06,;3.37,.42,;2.28,1.51,;4.86,.82,;5.25,2.31,;6.74,2.71,;7.83,1.62,;7.43,.13,;5.94,-.27,;5.55,-1.75,;1.5,-1.54,)|
C[C@H](O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:6.5,9.12,1.1,(-7.16,4.62,;-7.16,3.08,;-8.5,2.31,;-5.83,2.31,;-5.83,.77,;-4.5,3.08,;-3.16,2.31,;-1.83,3.08,;-.5,2.31,;-.5,.77,;-1.83,,;-3.16,.77,;.84,,;.84,-1.54,;-.5,-2.31,;-.5,-3.85,;.84,-4.62,;2.17,-3.85,;3.64,-4.33,;4.54,-3.08,;3.64,-1.83,;4.03,-.35,;2.95,.74,;5.52,.05,;5.92,1.54,;7.41,1.94,;8.5,.85,;8.1,-.64,;6.61,-1.04,;6.21,-2.52,;2.17,-2.31,)|
C[C@@H](O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:6.5,9.12,wD:1.1,(-7.16,4.62,;-7.16,3.08,;-8.5,2.31,;-5.83,2.31,;-5.83,.77,;-4.5,3.08,;-3.16,2.31,;-1.83,3.08,;-.5,2.31,;-.5,.77,;-1.83,,;-3.16,.77,;.84,,;.84,-1.54,;-.5,-2.31,;-.5,-3.85,;.84,-4.62,;2.17,-3.85,;3.64,-4.33,;4.54,-3.08,;3.64,-1.83,;4.03,-.35,;2.95,.74,;5.52,.05,;5.92,1.54,;7.41,1.94,;8.5,.85,;8.1,-.64,;6.61,-1.04,;6.21,-2.52,;2.17,-2.31,)|
COCC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:6.5,9.12,(-9.16,3.85,;-7.83,3.08,;-6.5,3.85,;-5.16,3.08,;-5.16,1.54,;-3.83,3.85,;-2.5,3.08,;-1.16,3.85,;.17,3.08,;.17,1.54,;-1.16,.77,;-2.5,1.54,;1.5,.77,;1.5,-.77,;.17,-1.54,;.17,-3.08,;1.5,-3.85,;2.84,-3.08,;4.3,-3.56,;5.21,-2.31,;4.3,-1.06,;4.7,.42,;3.61,1.51,;6.19,.82,;6.59,2.31,;8.08,2.71,;9.16,1.62,;8.77,.13,;7.28,-.27,;6.88,-1.75,;2.84,-1.54,)|
OC1CN(C1)[C@@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:5.5,8.12,(-8.11,4.78,;-6.77,4.01,;-5.29,4.41,;-4.89,2.92,;-6.37,2.52,;-3.55,2.15,;-3.55,.61,;-2.22,-.16,;-.89,.61,;-.89,2.15,;-2.22,2.92,;.45,-.16,;.45,-1.7,;-.89,-2.47,;-.89,-4.01,;.45,-4.78,;1.78,-4.01,;3.25,-4.49,;4.15,-3.24,;3.25,-1.99,;3.64,-.51,;2.56,.58,;5.13,-.11,;6.22,-1.2,;7.71,-.8,;8.11,.69,;7.02,1.78,;5.53,1.38,;4.44,2.47,;1.78,-2.47,)|
OC1CN(C1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:8.12,wD:5.5,(-8.11,4.78,;-6.77,4.01,;-5.29,4.41,;-4.89,2.92,;-6.37,2.52,;-3.55,2.15,;-3.55,.61,;-2.22,-.16,;-.89,.61,;-.89,2.15,;-2.22,2.92,;.45,-.16,;.45,-1.7,;-.89,-2.47,;-.89,-4.01,;.45,-4.78,;1.78,-4.01,;3.25,-4.49,;4.15,-3.24,;3.25,-1.99,;3.64,-.51,;2.56,.58,;5.13,-.11,;6.22,-1.2,;7.71,-.8,;8.11,.69,;7.02,1.78,;5.53,1.38,;4.44,2.47,;1.78,-2.47,)|
COC(=O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3C)c12 |r|
NC(=O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r|
CCC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:5.4,8.11,(-8.5,3.08,;-7.16,3.85,;-5.83,3.08,;-5.83,1.54,;-4.5,3.85,;-3.16,3.08,;-1.83,3.85,;-.5,3.08,;-.5,1.54,;-1.83,.77,;-3.16,1.54,;.84,.77,;.84,-.77,;-.5,-1.54,;-.5,-3.08,;.84,-3.85,;2.17,-3.08,;3.64,-3.56,;4.54,-2.31,;3.64,-1.06,;4.03,.42,;2.95,1.51,;5.52,.82,;5.92,2.31,;7.41,2.71,;8.5,1.62,;8.1,.13,;6.61,-.27,;6.21,-1.75,;2.17,-1.54,)|
CC(C)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:6.5,9.12,(-8.5,2.31,;-7.16,3.08,;-7.16,4.62,;-5.83,2.31,;-5.83,.77,;-4.5,3.08,;-3.16,2.31,;-1.83,3.08,;-.5,2.31,;-.5,.77,;-1.83,,;-3.16,.77,;.84,,;.84,-1.54,;-.5,-2.31,;-.5,-3.85,;.84,-4.62,;2.17,-3.85,;3.64,-4.33,;4.54,-3.08,;3.64,-1.83,;4.03,-.35,;2.95,.74,;5.52,.05,;5.92,1.54,;7.41,1.94,;8.5,.85,;8.1,-.64,;6.61,-1.04,;6.21,-2.52,;2.17,-2.31,)|
Clc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CC3)NC(=O)C3CC3)c12 |r,wU:21.25,18.18,(6.32,-2.42,;6.71,-.93,;8.2,-.54,;8.6,.95,;7.51,2.04,;6.02,1.64,;5.63,.16,;4.14,-.24,;3.05,.85,;3.74,-1.73,;4.64,-2.98,;3.74,-4.22,;2.27,-3.75,;.94,-4.52,;-.39,-3.75,;-.39,-2.21,;.94,-1.44,;.94,.1,;-.39,.87,;-.39,2.41,;-1.73,3.18,;-3.06,2.41,;-3.06,.87,;-1.73,.1,;-4.39,3.18,;-5.73,2.41,;-5.73,.87,;-7.06,3.18,;-7.83,4.52,;-8.6,3.18,;2.27,-2.21,)|
Cc1ccc(cc1)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3C)c12 |r,wU:10.10,13.17,(-9.83,5.01,;-8.5,4.23,;-7.16,5,;-5.83,4.23,;-5.83,2.69,;-7.16,1.92,;-8.5,2.69,;-4.5,1.92,;-4.5,.39,;-3.16,2.69,;-1.83,1.92,;-.5,2.69,;.84,1.92,;.84,.38,;-.5,-.39,;-1.83,.38,;2.17,-.39,;2.17,-1.93,;.84,-2.7,;.84,-4.24,;2.17,-5.01,;3.51,-4.24,;4.97,-4.71,;5.88,-3.47,;4.97,-2.22,;5.37,-.73,;4.28,.36,;6.86,-.33,;7.25,1.15,;8.74,1.55,;9.83,.46,;9.43,-1.02,;7.95,-1.42,;7.55,-2.91,;3.51,-2.7,)|
Cc1cccc(c1)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3C)c12 |r,wU:10.10,13.17,(-9.83,1.93,;-8.5,2.69,;-8.5,4.23,;-7.16,5,;-5.83,4.23,;-5.83,2.69,;-7.16,1.93,;-4.5,1.93,;-4.5,.39,;-3.16,2.69,;-1.83,1.93,;-.5,2.69,;.84,1.93,;.84,.38,;-.5,-.38,;-1.83,.38,;2.17,-.38,;2.17,-1.93,;.84,-2.69,;.84,-4.23,;2.17,-5,;3.51,-4.23,;4.97,-4.71,;5.88,-3.47,;4.97,-2.22,;5.37,-.73,;4.28,.36,;6.86,-.33,;7.25,1.15,;8.74,1.55,;9.83,.46,;9.43,-1.02,;7.95,-1.42,;7.55,-2.91,;3.51,-2.69,)|
Cc1ccccc1C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3C)c12 |r,wU:10.10,13.17,(-7.83,.38,;-7.83,1.93,;-9.16,2.69,;-9.16,4.23,;-7.83,5,;-6.5,4.23,;-6.5,2.69,;-5.16,1.93,;-5.16,.38,;-3.83,2.7,;-2.5,1.93,;-1.16,2.7,;.17,1.93,;.17,.39,;-1.16,-.38,;-2.5,.39,;1.5,-.38,;1.5,-1.92,;.17,-2.69,;.17,-4.23,;1.5,-5,;2.84,-4.23,;4.3,-4.71,;5.21,-3.46,;4.3,-2.22,;4.7,-.73,;3.61,.36,;6.19,-.33,;6.59,1.15,;8.08,1.55,;9.16,.46,;8.77,-1.02,;7.28,-1.42,;6.88,-2.91,;2.84,-2.69,)|
CO[C@@H](C)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:7.6,10.13,2.2,(-8.5,.77,;-8.5,2.31,;-7.16,3.08,;-7.16,4.62,;-5.83,2.31,;-5.83,.77,;-4.5,3.08,;-3.16,2.31,;-1.83,3.08,;-.5,2.31,;-.5,.77,;-1.83,,;-3.16,.77,;.84,,;.84,-1.54,;-.5,-2.31,;-.5,-3.85,;.84,-4.62,;2.17,-3.85,;3.64,-4.33,;4.54,-3.08,;3.64,-1.83,;4.03,-.35,;2.95,.74,;5.52,.05,;5.92,1.54,;7.41,1.94,;8.5,.85,;8.1,-.64,;6.61,-1.04,;6.21,-2.52,;2.17,-2.31,)|
CO[C@H](C)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:7.6,10.13,wD:2.2,(-8.5,.77,;-8.5,2.31,;-7.16,3.08,;-7.16,4.62,;-5.83,2.31,;-5.83,.77,;-4.5,3.08,;-3.16,2.31,;-1.83,3.08,;-.5,2.31,;-.5,.77,;-1.83,,;-3.16,.77,;.84,,;.84,-1.54,;-.5,-2.31,;-.5,-3.85,;.84,-4.62,;2.17,-3.85,;3.64,-4.33,;4.54,-3.08,;3.64,-1.83,;4.03,-.35,;2.95,.74,;5.52,.05,;5.92,1.54,;7.41,1.94,;8.5,.85,;8.1,-.64,;6.61,-1.04,;6.21,-2.52,;2.17,-2.31,)|
Clc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CC3)NC(=O)[C@@H]3CCCO3)c12 |r,wU:21.25,18.18,27.28,(6.73,-2.76,;7.13,-1.27,;8.62,-.88,;9.02,.61,;7.93,1.7,;6.44,1.3,;6.04,-.19,;4.55,-.58,;3.46,.5,;4.15,-2.07,;5.06,-3.32,;4.15,-4.56,;2.69,-4.09,;1.36,-4.86,;.02,-4.09,;.02,-2.55,;1.36,-1.78,;1.36,-.24,;.02,.53,;.02,2.07,;-1.31,2.84,;-2.64,2.07,;-2.64,.53,;-1.31,-.24,;-3.98,2.84,;-5.31,2.07,;-5.31,.53,;-6.65,2.84,;-6.65,4.38,;-8.11,4.86,;-9.02,3.61,;-8.11,2.37,;2.69,-2.55,)|
Clc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CC3)NC(=O)[C@H]3CCCO3)c12 |r,wU:21.25,18.18,wD:27.28,(6.73,-2.76,;7.13,-1.27,;8.62,-.88,;9.02,.61,;7.93,1.7,;6.44,1.3,;6.04,-.19,;4.55,-.58,;3.46,.5,;4.15,-2.07,;5.06,-3.32,;4.15,-4.56,;2.69,-4.09,;1.36,-4.86,;.02,-4.09,;.02,-2.55,;1.36,-1.78,;1.36,-.24,;.02,.53,;.02,2.07,;-1.31,2.84,;-2.64,2.07,;-2.64,.53,;-1.31,-.24,;-3.98,2.84,;-5.31,2.07,;-5.31,.53,;-6.65,2.84,;-6.65,4.38,;-8.11,4.86,;-9.02,3.61,;-8.11,2.37,;2.69,-2.55,)|
OC1(CC1)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:7.7,10.14,(-6.29,4.52,;-7.06,3.18,;-7.83,4.52,;-8.6,3.18,;-5.73,2.41,;-5.73,.87,;-4.39,3.18,;-3.06,2.41,;-1.73,3.18,;-.39,2.41,;-.39,.87,;-1.73,.1,;-3.06,.87,;.94,.1,;.94,-1.44,;-.39,-2.21,;-.39,-3.75,;.94,-4.52,;2.27,-3.75,;3.74,-4.22,;4.64,-2.98,;3.74,-1.73,;4.14,-.24,;3.05,.85,;5.63,.16,;6.02,1.64,;7.51,2.04,;8.6,.95,;8.2,-.54,;6.71,-.93,;6.32,-2.42,;2.27,-2.21,)|
C[C@@]1(O)CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:1.1,5.8,wD:1.0,(-5.46,4.21,;-5.06,2.72,;-6.6,2.72,;-5.06,1.18,;-3.73,.41,;-2.39,1.18,;-2.39,2.72,;-3.73,3.49,;-1.06,.41,;-1.06,-1.13,;-2.39,-1.9,;-2.39,-3.44,;-1.06,-4.21,;.27,-3.44,;1.74,-3.91,;2.64,-2.67,;1.74,-1.42,;2.14,.06,;1.05,1.15,;3.63,.46,;4.71,-.63,;6.2,-.23,;6.6,1.26,;5.51,2.35,;4.02,1.95,;2.93,3.04,;.27,-1.9,)|
C[C@]1(O)CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:5.8,1.0,wD:1.1,(-5.46,4.21,;-5.06,2.72,;-6.6,2.72,;-5.06,1.18,;-3.73,.41,;-2.39,1.18,;-2.39,2.72,;-3.73,3.49,;-1.06,.41,;-1.06,-1.13,;-2.39,-1.9,;-2.39,-3.44,;-1.06,-4.21,;.27,-3.44,;1.74,-3.91,;2.64,-2.67,;1.74,-1.42,;2.14,.06,;1.05,1.15,;3.63,.46,;4.71,-.63,;6.2,-.23,;6.6,1.26,;5.51,2.35,;4.02,1.95,;2.93,3.04,;.27,-1.9,)|
Cc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)C(N)=O)c12 |r,wU:21.25,wD:18.18,(3.5,2.63,;4.59,1.54,;6.08,1.94,;7.16,.85,;6.77,-.64,;5.28,-1.04,;4.19,.05,;2.7,-.35,;1.61,.74,;2.3,-1.83,;3.21,-3.08,;2.3,-4.33,;.84,-3.85,;-.5,-4.62,;-1.83,-3.85,;-1.83,-2.31,;-.5,-1.54,;-.5,,;-1.83,.77,;-1.83,2.31,;-3.16,3.08,;-4.5,2.31,;-4.5,.77,;-3.16,,;-5.83,3.08,;-7.16,2.31,;-5.83,4.62,;.84,-2.31,)|
C[C@H](O)C(=O)N(C)[C@@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:10.13,7.6,1.1,(-7.16,4.62,;-7.16,3.08,;-8.5,2.31,;-5.83,2.31,;-5.83,.77,;-4.5,3.08,;-4.5,4.62,;-3.16,2.31,;-3.16,.77,;-1.83,,;-.5,.77,;-.5,2.31,;-1.83,3.08,;.84,,;.84,-1.54,;-.5,-2.31,;-.5,-3.85,;.84,-4.62,;2.17,-3.85,;3.64,-4.33,;4.54,-3.08,;3.64,-1.83,;4.03,-.35,;2.95,.74,;5.52,.05,;5.92,1.54,;7.41,1.94,;8.5,.85,;8.1,-.64,;6.61,-1.04,;6.21,-2.52,;2.17,-2.31,)|
COC[C@]1(O)CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:7.10,3.2,wD:3.3,(-7.76,1.39,;-6.22,1.39,;-5.45,2.72,;-3.91,2.72,;-4.3,4.21,;-3.91,1.18,;-2.57,.41,;-1.24,1.18,;-1.24,2.72,;-2.57,3.49,;.1,.41,;.1,-1.13,;-1.24,-1.9,;-1.24,-3.44,;.1,-4.21,;1.43,-3.44,;2.89,-3.91,;3.8,-2.67,;2.89,-1.42,;3.29,.06,;2.2,1.15,;4.78,.46,;5.87,-.63,;7.36,-.23,;7.76,1.26,;6.67,2.35,;5.18,1.95,;4.09,3.04,;1.43,-1.9,)|
COC[C@@]1(O)CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:7.10,3.3,wD:3.2,(-7.76,1.39,;-6.22,1.39,;-5.45,2.72,;-3.91,2.72,;-4.3,4.21,;-3.91,1.18,;-2.57,.41,;-1.24,1.18,;-1.24,2.72,;-2.57,3.49,;.1,.41,;.1,-1.13,;-1.24,-1.9,;-1.24,-3.44,;.1,-4.21,;1.43,-3.44,;2.89,-3.91,;3.8,-2.67,;2.89,-1.42,;3.29,.06,;2.2,1.15,;4.78,.46,;5.87,-.63,;7.36,-.23,;7.76,1.26,;6.67,2.35,;5.18,1.95,;4.09,3.04,;1.43,-1.9,)|
COC1CN(C1)[C@@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:9.13,6.6,(-8.77,4.01,;-7.44,4.78,;-6.11,4.01,;-4.62,4.41,;-4.22,2.92,;-5.71,2.52,;-2.89,2.15,;-2.89,.61,;-1.55,-.16,;-.22,.61,;-.22,2.15,;-1.55,2.92,;1.11,-.16,;1.11,-1.7,;-.22,-2.47,;-.22,-4.01,;1.11,-4.78,;2.45,-4.01,;3.91,-4.49,;4.82,-3.24,;3.91,-1.99,;4.31,-.51,;3.22,.58,;5.8,-.11,;6.89,-1.2,;8.38,-.8,;8.77,.69,;7.68,1.78,;6.2,1.38,;5.11,2.47,;2.45,-2.47,)|
COC1CN(C1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:9.13,wD:6.6,(-8.77,4.01,;-7.44,4.78,;-6.11,4.01,;-4.62,4.41,;-4.22,2.92,;-5.71,2.52,;-2.89,2.15,;-2.89,.61,;-1.55,-.16,;-.22,.61,;-.22,2.15,;-1.55,2.92,;1.11,-.16,;1.11,-1.7,;-.22,-2.47,;-.22,-4.01,;1.11,-4.78,;2.45,-4.01,;3.91,-4.49,;4.82,-3.24,;3.91,-1.99,;4.31,-.51,;3.22,.58,;5.8,-.11,;6.89,-1.2,;8.38,-.8,;8.77,.69,;7.68,1.78,;6.2,1.38,;5.11,2.47,;2.45,-2.47,)|
CC1(O)CN(C1)[C@@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:9.13,6.6,(-6.7,5.16,;-6.7,3.62,;-8.18,3.23,;-5.21,4.02,;-4.81,2.54,;-6.3,2.14,;-3.48,1.77,;-3.48,.23,;-2.14,-.54,;-.81,.23,;-.81,1.77,;-2.14,2.54,;.52,-.54,;.52,-2.08,;-.81,-2.85,;-.81,-4.39,;.52,-5.16,;1.86,-4.39,;3.32,-4.87,;4.23,-3.62,;3.32,-2.38,;3.72,-.89,;2.63,.2,;5.21,-.49,;6.3,-1.58,;7.79,-1.18,;8.18,.3,;7.1,1.39,;5.61,1,;4.52,2.08,;1.86,-2.85,)|
CC1(O)CN(C1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:6.6,wD:9.13,(-6.7,5.16,;-6.7,3.62,;-8.18,3.23,;-5.21,4.02,;-4.81,2.54,;-6.3,2.14,;-3.48,1.77,;-2.14,2.54,;-.81,1.77,;-.81,.23,;-2.14,-.54,;-3.48,.23,;.52,-.54,;.52,-2.08,;-.81,-2.85,;-.81,-4.39,;.52,-5.16,;1.86,-4.39,;3.32,-4.87,;4.23,-3.62,;3.32,-2.38,;3.72,-.89,;2.63,.2,;5.21,-.49,;6.3,-1.58,;7.79,-1.18,;8.18,.3,;7.1,1.39,;5.61,1,;4.52,2.08,;1.86,-2.85,)|
CC1(N)CN(C1)[C@@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:9.13,6.6,(-6.67,5.16,;-6.67,3.62,;-8.21,3.62,;-5.18,4.02,;-4.78,2.54,;-6.27,2.14,;-3.45,1.77,;-3.45,.23,;-2.12,-.54,;-.78,.23,;-.78,1.77,;-2.12,2.54,;.55,-.54,;.55,-2.08,;-.78,-2.85,;-.78,-4.39,;.55,-5.16,;1.88,-4.39,;3.35,-4.87,;4.25,-3.62,;3.35,-2.38,;3.75,-.89,;2.66,.2,;5.24,-.49,;6.32,-1.58,;7.81,-1.18,;8.21,.3,;7.12,1.39,;5.63,1,;4.54,2.08,;1.88,-2.85,)|
CC1(N)CN(C1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:9.13,wD:6.6,(-6.67,5.16,;-6.67,3.62,;-8.21,3.62,;-5.18,4.02,;-4.78,2.54,;-6.27,2.14,;-3.45,1.77,;-3.45,.23,;-2.12,-.54,;-.78,.23,;-.78,1.77,;-2.12,2.54,;.55,-.54,;.55,-2.08,;-.78,-2.85,;-.78,-4.39,;.55,-5.16,;1.88,-4.39,;3.35,-4.87,;4.25,-3.62,;3.35,-2.38,;3.75,-.89,;2.66,.2,;5.24,-.49,;6.32,-1.58,;7.81,-1.18,;8.21,.3,;7.12,1.39,;5.63,1,;4.54,2.08,;1.88,-2.85,)|
CC(C)(O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:10.13,7.6,(-7.93,4.52,;-7.16,3.18,;-6.39,4.52,;-8.5,2.41,;-5.83,2.41,;-5.83,.87,;-4.5,3.18,;-3.16,2.41,;-1.83,3.18,;-.5,2.41,;-.5,.87,;-1.83,.1,;-3.16,.87,;.84,.1,;.84,-1.44,;-.5,-2.21,;-.5,-3.75,;.84,-4.52,;2.17,-3.75,;3.64,-4.22,;4.54,-2.98,;3.64,-1.73,;4.03,-.24,;2.95,.85,;5.52,.16,;5.92,1.64,;7.41,2.04,;8.5,.95,;8.1,-.54,;6.61,-.93,;6.21,-2.42,;2.17,-2.21,)|
C[C@H](NC(C)=O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r|
C[C@H](NC(C)=O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3C)c12 |r|
CC(=O)NC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r|
CC(=O)NC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3C)c12 |r|
CS(=O)(=O)Nc1cccc(c1)C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@H](N)CC3)c12 |r,wU:25.26,22.22,(8.33,-.16,;6.84,-.56,;6.44,.93,;7.24,-2.05,;5.35,-.96,;4.27,.13,;4.66,1.62,;3.58,2.71,;2.09,2.31,;1.69,.82,;2.78,-.27,;.2,.42,;-.89,1.51,;-.2,-1.06,;.71,-2.31,;-.2,-3.56,;-1.66,-3.08,;-3,-3.85,;-4.33,-3.08,;-4.33,-1.54,;-3,-.77,;-3,.77,;-4.33,1.54,;-4.33,3.08,;-5.66,3.85,;-7,3.08,;-8.33,3.85,;-7,1.54,;-5.66,.77,;-1.66,-1.54,)|
N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)c12 |r,wU:1.0,4.7,(-9.82,3.85,;-8.48,3.08,;-7.15,3.85,;-5.82,3.08,;-5.82,1.54,;-7.15,.77,;-8.48,1.54,;-4.48,.77,;-4.48,-.77,;-5.82,-1.54,;-5.82,-3.08,;-4.48,-3.85,;-3.15,-3.08,;-1.68,-3.56,;-.78,-2.31,;-1.68,-1.06,;-1.29,.42,;-2.37,1.51,;.2,.82,;.6,2.31,;2.09,2.71,;3.18,1.62,;2.78,.13,;3.87,-.96,;5.35,-.56,;4.96,.93,;5.75,-2.05,;6.84,-.16,;7.93,-1.25,;9.42,-.85,;9.82,.64,;8.73,1.73,;7.24,1.33,;1.29,-.27,;-3.15,-1.54,)|
C[C@H](NC(C)=O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
c1ccc(cc1)Oc2ccc(c(c2)Cl)C(=O)c3c[nH]c4c3c(ncn4)N[C@@H]5CC[C@H](OC5)CO
OC[C@H]1CC[C@@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
OC[C@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
OC[C@@H]1CC[C@@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
CC(=O)NC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
CN1CCN(CC(=O)N[C@H]2CC[C@H](CC2)Nc2ncnc3[nH]cc(C(=O)c4sccc4C)c23)CC1 |r,wU:9.8,12.15,(-10.26,.77,;-8.92,1.54,;-8.92,3.08,;-7.59,3.85,;-6.26,3.08,;-4.92,3.85,;-3.59,3.08,;-3.59,1.54,;-2.25,3.85,;-.92,3.08,;.41,3.85,;1.75,3.08,;1.75,1.54,;.41,.77,;-.92,1.54,;3.08,.77,;3.08,-.77,;1.75,-1.54,;1.75,-3.08,;3.08,-3.85,;4.41,-3.08,;5.88,-3.56,;6.78,-2.31,;5.88,-1.06,;6.28,.42,;5.19,1.51,;7.76,.82,;8.24,2.29,;9.78,2.29,;10.26,.82,;9.01,-.08,;9.01,-1.62,;4.41,-1.54,;-6.26,1.54,;-7.59,.77,)|
CC1CCC(CC1)Nc1ncnc2[nH]cc(C(=O)c3sccc3C)c12 |(-6.26,3.85,;-4.92,3.08,;-4.92,1.54,;-3.59,.77,;-2.25,1.54,;-2.25,3.08,;-3.59,3.85,;-.92,.77,;-.92,-.77,;-2.25,-1.54,;-2.25,-3.08,;-.92,-3.85,;.41,-3.08,;1.88,-3.56,;2.78,-2.31,;1.88,-1.06,;2.28,.42,;1.19,1.51,;3.76,.82,;4.24,2.29,;5.78,2.29,;6.26,.82,;5.01,-.08,;5.01,-1.62,;.41,-1.54,)|
N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:1.0,4.7,(-9.07,3.85,;-7.74,3.08,;-6.41,3.85,;-5.07,3.08,;-5.07,1.54,;-6.41,.77,;-7.74,1.54,;-3.74,.77,;-3.74,-.77,;-5.07,-1.54,;-5.07,-3.08,;-3.74,-3.85,;-2.41,-3.08,;-.94,-3.56,;-.04,-2.31,;-.94,-1.06,;-.54,.42,;-1.63,1.51,;.95,.82,;2.03,-.27,;3.52,.13,;3.92,1.62,;5.41,2.02,;6.5,.93,;6.1,-.56,;7.19,-1.65,;8.67,-1.25,;9.07,.24,;7.98,1.33,;2.83,2.71,;1.34,2.31,;-2.41,-1.54,)|
N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3cccc(Oc4ccccc4)c3)c12 |r,wU:1.0,4.7,(-9.07,3.85,;-7.74,3.08,;-6.41,3.85,;-5.07,3.08,;-5.07,1.54,;-6.41,.77,;-7.74,1.54,;-3.74,.77,;-3.74,-.77,;-5.07,-1.54,;-5.07,-3.08,;-3.74,-3.85,;-2.41,-3.08,;-.94,-3.56,;-.04,-2.31,;-.94,-1.06,;-.54,.42,;-1.63,1.51,;.95,.82,;1.34,2.31,;2.83,2.71,;3.92,1.62,;3.52,.13,;4.61,-.96,;6.1,-.56,;6.5,.93,;7.98,1.33,;9.07,.24,;8.67,-1.25,;7.19,-1.65,;2.03,-.27,;-2.41,-1.54,)|
CN1CCN(CC(=O)N[C@H]2CC[C@H](CC2)Nc2ncnc3[nH]cc(C(=O)c4ccsc4C)c23)CC1 |r,wU:9.8,12.15,(-10.26,.77,;-8.92,1.54,;-8.92,3.08,;-7.59,3.85,;-6.26,3.08,;-4.92,3.85,;-3.59,3.08,;-3.59,1.54,;-2.25,3.85,;-.92,3.08,;.41,3.85,;1.75,3.08,;1.75,1.54,;.41,.77,;-.92,1.54,;3.08,.77,;3.08,-.77,;1.75,-1.54,;1.75,-3.08,;3.08,-3.85,;4.41,-3.08,;5.88,-3.56,;6.78,-2.31,;5.88,-1.06,;6.28,.42,;5.19,1.51,;7.76,.82,;9.01,-.08,;10.26,.82,;9.78,2.29,;8.24,2.29,;7.47,3.62,;4.41,-1.54,;-6.26,1.54,;-7.59,.77,)|
COc1cccc(c1)C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CC3)NC(=O)OC(C)(C)C)c12 |r,wU:22.26,19.19,(10.25,-.56,;8.77,-.96,;7.68,.13,;8.08,1.62,;6.99,2.71,;5.5,2.31,;5.1,.82,;6.19,-.27,;3.61,.42,;2.52,1.51,;3.21,-1.06,;4.12,-2.31,;3.21,-3.56,;1.75,-3.08,;.42,-3.85,;-.92,-3.08,;-.92,-1.54,;.42,-.77,;.42,.77,;-.92,1.54,;-.92,3.08,;-2.25,3.85,;-3.58,3.08,;-3.58,1.54,;-2.25,.77,;-4.92,3.85,;-6.25,3.08,;-6.25,1.54,;-7.59,3.85,;-8.92,3.08,;-10.25,3.85,;-8.92,1.54,;-10.25,2.31,;1.75,-1.54,)|
COc1ccc(C)c(c1)C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CC3)NC(=O)OC(C)(C)C)c12 |r,wU:23.27,20.20,(10.25,-.56,;8.77,-.96,;7.68,.13,;8.08,1.62,;6.99,2.71,;5.5,2.31,;4.41,3.4,;5.1,.82,;6.19,-.27,;3.61,.42,;2.52,1.51,;3.21,-1.06,;4.12,-2.31,;3.21,-3.56,;1.75,-3.08,;.42,-3.85,;-.92,-3.08,;-.92,-1.54,;.42,-.77,;.42,.77,;-.92,1.54,;-.92,3.08,;-2.25,3.85,;-3.58,3.08,;-3.58,1.54,;-2.25,.77,;-4.92,3.85,;-6.25,3.08,;-6.25,1.54,;-7.59,3.85,;-8.92,3.08,;-10.25,3.85,;-8.92,1.54,;-10.25,2.31,;1.75,-1.54,)|
COc1cccc(c1)C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@H](N)CC3)c12 |r,wU:22.23,19.19,(7.59,-.56,;6.1,-.96,;5.01,.13,;5.41,1.62,;4.32,2.71,;2.83,2.31,;2.43,.82,;3.52,-.27,;.95,.42,;-.14,1.51,;.55,-1.06,;1.45,-2.31,;.55,-3.56,;-.92,-3.08,;-2.25,-3.85,;-3.58,-3.08,;-3.58,-1.54,;-2.25,-.77,;-2.25,.77,;-3.58,1.54,;-3.58,3.08,;-4.92,3.85,;-6.25,3.08,;-7.59,3.85,;-6.25,1.54,;-4.92,.77,;-.92,-1.54,)|
COc1ccc(C)c(c1)C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@H](N)CC3)c12 |r,wU:23.24,20.20,(7.59,-.56,;6.1,-.96,;5.01,.13,;5.41,1.62,;4.32,2.71,;2.83,2.31,;1.74,3.4,;2.43,.82,;3.52,-.27,;.95,.42,;-.14,1.51,;.55,-1.06,;1.45,-2.31,;.55,-3.56,;-.92,-3.08,;-2.25,-3.85,;-3.58,-3.08,;-3.58,-1.54,;-2.25,-.77,;-2.25,.77,;-3.58,1.54,;-3.58,3.08,;-4.92,3.85,;-6.25,3.08,;-7.59,3.85,;-6.25,1.54,;-4.92,.77,;-.92,-1.54,)|
COc1ccc(Cl)c(c1)C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@H](N)CC3)c12 |r,wU:23.24,20.20,(7.59,-.56,;6.1,-.96,;5.01,.13,;5.41,1.62,;4.32,2.71,;2.83,2.31,;1.74,3.4,;2.43,.82,;3.52,-.27,;.95,.42,;-.14,1.51,;.55,-1.06,;1.45,-2.31,;.55,-3.56,;-.92,-3.08,;-2.25,-3.85,;-3.58,-3.08,;-3.58,-1.54,;-2.25,-.77,;-2.25,.77,;-3.58,1.54,;-3.58,3.08,;-4.92,3.85,;-6.25,3.08,;-7.59,3.85,;-6.25,1.54,;-4.92,.77,;-.92,-1.54,)|
COc1cc(ccc1F)C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@H](N)CC3)c12 |r,wU:23.24,20.20,(7.59,-.56,;6.1,-.96,;5.01,.13,;3.52,-.27,;2.43,.82,;2.83,2.31,;4.32,2.71,;5.41,1.62,;6.9,2.02,;.95,.42,;-.14,1.51,;.55,-1.06,;1.45,-2.31,;.55,-3.56,;-.92,-3.08,;-2.25,-3.85,;-3.58,-3.08,;-3.58,-1.54,;-2.25,-.77,;-2.25,.77,;-3.58,1.54,;-3.58,3.08,;-4.92,3.85,;-6.25,3.08,;-7.59,3.85,;-6.25,1.54,;-4.92,.77,;-.92,-1.54,)|
CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:4.3,7.10,(-10.41,3.85,;-9.07,3.08,;-9.07,1.54,;-7.74,3.85,;-6.41,3.08,;-5.07,3.85,;-3.74,3.08,;-3.74,1.54,;-5.07,.77,;-6.41,1.54,;-2.41,.77,;-2.41,-.77,;-3.74,-1.54,;-3.74,-3.08,;-2.41,-3.85,;-1.07,-3.08,;.39,-3.56,;1.3,-2.31,;.39,-1.06,;.79,.42,;-.3,1.51,;2.28,.82,;3.37,-.27,;4.86,.13,;5.25,1.62,;6.74,2.02,;7.83,.93,;7.43,-.56,;8.52,-1.65,;10.01,-1.25,;10.41,.24,;9.32,1.33,;4.17,2.71,;2.68,2.31,;-1.07,-1.54,)|
CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3cccc(Oc4ccccc4)c3)c12 |r,wU:4.3,7.10,(-10.41,3.85,;-9.07,3.08,;-9.07,1.54,;-7.74,3.85,;-6.41,3.08,;-5.07,3.85,;-3.74,3.08,;-3.74,1.54,;-5.07,.77,;-6.41,1.54,;-2.41,.77,;-2.41,-.77,;-3.74,-1.54,;-3.74,-3.08,;-2.41,-3.85,;-1.07,-3.08,;.39,-3.56,;1.3,-2.31,;.39,-1.06,;.79,.42,;-.3,1.51,;2.28,.82,;2.68,2.31,;4.17,2.71,;5.25,1.62,;4.86,.13,;5.94,-.96,;7.43,-.56,;7.83,.93,;9.32,1.33,;10.41,.24,;10.01,-1.25,;8.52,-1.65,;3.37,-.27,;-1.07,-1.54,)|
N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:1.0,4.7,(-9.07,3.85,;-7.74,3.08,;-6.41,3.85,;-5.07,3.08,;-5.07,1.54,;-6.41,.77,;-7.74,1.54,;-3.74,.77,;-3.74,-.77,;-5.07,-1.54,;-5.07,-3.08,;-3.74,-3.85,;-2.41,-3.08,;-.94,-3.56,;-.04,-2.31,;-.94,-1.06,;-.54,.42,;-1.63,1.51,;.95,.82,;2.03,-.27,;3.52,.13,;3.92,1.62,;5.41,2.02,;6.5,.93,;6.1,-.56,;7.19,-1.65,;8.67,-1.25,;9.07,.24,;7.98,1.33,;2.83,2.71,;1.34,2.31,;.26,3.4,;-2.41,-1.54,)|
C[C@@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r|
COCCOc1ccc(cc1)C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@H](N)CC3)c12 |r,wU:25.26,22.22,(9.82,.64,;8.33,.24,;7.24,1.33,;5.75,.93,;4.66,2.02,;3.18,1.62,;2.78,.13,;1.29,-.27,;.2,.82,;.6,2.31,;2.09,2.71,;-1.29,.42,;-2.37,1.51,;-1.68,-1.06,;-.78,-2.31,;-1.68,-3.56,;-3.15,-3.08,;-4.48,-3.85,;-5.82,-3.08,;-5.82,-1.54,;-4.48,-.77,;-4.48,.77,;-5.82,1.54,;-5.82,3.08,;-7.15,3.85,;-8.48,3.08,;-9.82,3.85,;-8.48,1.54,;-7.15,.77,;-3.15,-1.54,)|
OC[C@@H]1CC[C@@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r|
CC(C)(O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r|
N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4cccc(F)c4)cc3)c12 |r,wU:1.0,4.7,(-9.82,3.85,;-8.48,3.08,;-7.15,3.85,;-5.82,3.08,;-5.82,1.54,;-7.15,.77,;-8.48,1.54,;-4.48,.77,;-4.48,-.77,;-5.82,-1.54,;-5.82,-3.08,;-4.48,-3.85,;-3.15,-3.08,;-1.68,-3.56,;-.78,-2.31,;-1.68,-1.06,;-1.29,.42,;-2.37,1.51,;.2,.82,;1.29,-.27,;2.78,.13,;3.18,1.62,;4.66,2.02,;5.75,.93,;5.35,-.56,;6.44,-1.65,;7.93,-1.25,;8.33,.24,;9.82,.64,;7.24,1.33,;2.09,2.71,;.6,2.31,;-3.15,-1.54,)|
C[C@@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4cccnc4)cc3)c12 |r|
C[C@@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:4.3,7.10,(-10.41,3.85,;-9.07,3.08,;-9.07,1.54,;-7.74,3.85,;-6.41,3.08,;-5.07,3.85,;-3.74,3.08,;-3.74,1.54,;-5.07,.77,;-6.41,1.54,;-2.41,.77,;-2.41,-.77,;-3.74,-1.54,;-3.74,-3.08,;-2.41,-3.85,;-1.07,-3.08,;.39,-3.56,;1.3,-2.31,;.39,-1.06,;.79,.42,;-.3,1.51,;2.28,.82,;3.37,-.27,;4.86,.13,;5.25,1.62,;6.74,2.02,;7.83,.93,;7.43,-.56,;8.52,-1.65,;10.01,-1.25,;10.41,.24,;9.32,1.33,;4.17,2.71,;2.68,2.31,;1.59,3.4,;-1.07,-1.54,)|
CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccc(F)cc4)cc3)c12 |r,wU:4.3,7.10,(-10.75,3.85,;-9.42,3.08,;-9.42,1.54,;-8.09,3.85,;-6.75,3.08,;-5.42,3.85,;-4.08,3.08,;-4.08,1.54,;-5.42,.77,;-6.75,1.54,;-2.75,.77,;-2.75,-.77,;-4.08,-1.54,;-4.08,-3.08,;-2.75,-3.85,;-1.42,-3.08,;.05,-3.56,;.95,-2.31,;.05,-1.06,;.45,.42,;-.64,1.51,;1.93,.82,;3.02,-.27,;4.51,.13,;4.91,1.62,;6.4,2.02,;7.49,.93,;7.09,-.56,;8.18,-1.65,;9.66,-1.25,;10.75,-2.34,;10.06,.24,;8.97,1.33,;3.82,2.71,;2.33,2.31,;-1.42,-1.54,)|
CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4cccc(c4)C(F)(F)F)cc3)c12 |r,wU:4.3,7.10,(-10.41,4.16,;-9.07,3.39,;-9.07,1.85,;-7.74,4.16,;-6.41,3.39,;-5.07,4.16,;-3.74,3.39,;-3.74,1.85,;-5.07,1.08,;-6.41,1.85,;-2.41,1.08,;-2.41,-.46,;-3.74,-1.23,;-3.74,-2.77,;-2.41,-3.54,;-1.07,-2.77,;.39,-3.25,;1.3,-2,;.39,-.75,;.79,.73,;-.3,1.82,;2.28,1.13,;3.37,.04,;4.86,.44,;5.25,1.93,;6.74,2.33,;7.83,1.24,;9.32,1.64,;10.41,.55,;10.01,-.94,;8.52,-1.34,;7.43,-.25,;8.12,-2.83,;6.64,-3.22,;7.35,-4.16,;9.21,-3.91,;4.17,3.02,;2.68,2.62,;-1.07,-1.23,)|
N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(OCc4ccccc4)cc3)c12 |r,wU:1.0,4.7,(-9.67,2.88,;-8.34,2.11,;-7,2.88,;-5.67,2.11,;-5.67,.57,;-7,-.2,;-8.34,.57,;-4.34,-.2,;-4.34,-1.74,;-5.67,-2.51,;-5.67,-4.05,;-4.34,-4.82,;-3,-4.05,;-1.54,-4.53,;-.63,-3.28,;-1.54,-2.03,;-1.14,-.55,;-2.23,.54,;.35,-.15,;1.44,-1.24,;2.92,-.84,;3.32,.65,;4.81,1.05,;5.21,2.54,;6.7,2.93,;7.79,1.85,;9.27,2.24,;9.67,3.73,;8.58,4.82,;7.1,4.42,;2.23,1.74,;.75,1.34,;-3,-2.51,)|
O=C(c1c[nH]c2ncnc(NC3CCCOC3)c12)c1ccc(Oc2ccccc2)cc1
O=C(c1c[nH]c2ncnc(NC3CCOCC3)c12)c1ccc(Oc2ccccc2)cc1
NC(=O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r|
O=C(c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)c3nnco3)c12)c1ccc(Oc2ccccc2)cc1 |r,wU:11.10,wD:14.17,(.24,.2,;1.33,-.89,;.93,-2.38,;1.84,-3.63,;.93,-4.87,;-.53,-4.4,;-1.86,-5.17,;-3.2,-4.4,;-3.2,-2.86,;-1.86,-2.09,;-1.86,-.55,;-3.2,.22,;-4.53,-.55,;-5.86,.22,;-5.86,1.76,;-4.53,2.53,;-3.2,1.76,;-7.2,2.53,;-7.2,4.07,;-8.66,4.55,;-9.57,3.3,;-8.66,2.06,;-.53,-2.86,;2.82,-.49,;3.91,-1.58,;5.4,-1.18,;5.8,.3,;7.28,.7,;7.68,2.19,;9.17,2.59,;9.57,4.08,;8.48,5.17,;6.99,4.77,;6.59,3.28,;4.71,1.39,;3.22,.99,)|
Cc1nnc(o1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:9.13,wD:6.6,(-10.34,3.3,;-8.8,3.3,;-7.89,4.55,;-6.43,4.07,;-6.43,2.53,;-7.89,2.06,;-5.09,1.76,;-5.09,.22,;-3.76,-.55,;-2.43,.22,;-2.43,1.76,;-3.76,2.53,;-1.09,-.55,;-1.09,-2.09,;-2.43,-2.86,;-2.43,-4.4,;-1.09,-5.17,;.24,-4.4,;1.7,-4.87,;2.61,-3.63,;1.7,-2.38,;2.1,-.89,;1.01,.2,;3.59,-.49,;4.68,-1.58,;6.17,-1.18,;6.57,.3,;8.05,.7,;8.45,2.19,;9.94,2.59,;10.34,4.08,;9.25,5.17,;7.76,4.77,;7.36,3.28,;5.48,1.39,;3.99,.99,;.24,-2.86,)|
C[C@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r|
CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccc(Cl)cc4)cc3)c12 |r,wU:7.10,4.3,(-9.72,1.79,;-8.38,1.02,;-8.38,-.52,;-7.05,1.79,;-5.72,1.02,;-4.38,1.79,;-3.05,1.02,;-3.05,-.52,;-4.38,-1.29,;-5.72,-.52,;-1.71,-1.29,;-1.71,-2.83,;-3.05,-3.6,;-3.05,-5.14,;-1.71,-5.91,;-.38,-5.14,;1.08,-5.61,;1.99,-4.37,;1.08,-3.12,;1.48,-1.64,;.39,-.55,;2.97,-1.24,;4.06,-2.33,;5.55,-1.93,;5.94,-.44,;7.43,-.04,;7.83,1.45,;9.32,1.85,;9.72,3.33,;8.63,4.42,;9.03,5.91,;7.14,4.02,;6.74,2.54,;4.86,.65,;3.37,.25,;-.38,-3.6,)|
CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccc(C)cc4)cc3)c12 |r,wU:7.10,4.3,(-9.72,1.79,;-8.38,1.02,;-8.38,-.52,;-7.05,1.79,;-5.72,1.02,;-4.38,1.79,;-3.05,1.02,;-3.05,-.52,;-4.38,-1.29,;-5.72,-.52,;-1.71,-1.29,;-1.71,-2.83,;-3.05,-3.6,;-3.05,-5.14,;-1.71,-5.91,;-.38,-5.14,;1.08,-5.61,;1.99,-4.37,;1.08,-3.12,;1.48,-1.64,;.39,-.55,;2.97,-1.24,;4.06,-2.33,;5.55,-1.93,;5.94,-.44,;7.43,-.04,;7.83,1.45,;9.32,1.85,;9.72,3.33,;8.63,4.42,;9.03,5.91,;7.14,4.02,;6.74,2.54,;4.86,.65,;3.37,.25,;-.38,-3.6,)|
CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(OC4CCCC=C4)cc3)c12 |r,wU:7.10,4.3,c:31,(-9.72,2.53,;-8.38,1.76,;-8.38,.22,;-7.05,2.53,;-5.72,1.76,;-4.38,2.53,;-3.05,1.76,;-3.05,.22,;-4.38,-.55,;-5.72,.22,;-1.71,-.55,;-1.71,-2.09,;-3.05,-2.86,;-3.05,-4.4,;-1.71,-5.17,;-.38,-4.4,;1.08,-4.87,;1.99,-3.63,;1.08,-2.38,;1.48,-.89,;.39,.2,;2.97,-.49,;4.06,-1.58,;5.55,-1.18,;5.94,.3,;7.43,.7,;7.83,2.19,;6.74,3.28,;7.14,4.77,;8.63,5.17,;9.72,4.08,;9.32,2.59,;4.86,1.39,;3.37,.99,;-.38,-2.86,)|
CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)nc3Cl)c12 |r,wU:7.10,4.3,(-9.72,2.53,;-8.38,1.76,;-8.38,.22,;-7.05,2.53,;-5.72,1.76,;-4.38,2.53,;-3.05,1.76,;-3.05,.22,;-4.38,-.55,;-5.72,.22,;-1.71,-.55,;-1.71,-2.09,;-3.05,-2.86,;-3.05,-4.4,;-1.71,-5.17,;-.38,-4.4,;1.08,-4.87,;1.99,-3.63,;1.08,-2.38,;1.48,-.89,;.39,.2,;2.97,-.49,;4.06,-1.58,;5.55,-1.18,;5.94,.3,;7.43,.7,;7.83,2.19,;9.32,2.59,;9.72,4.08,;8.63,5.17,;7.14,4.77,;6.74,3.28,;4.86,1.39,;3.37,.99,;2.28,2.08,;-.38,-2.86,)|
OC[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:2.1,wD:5.8,(-9.05,1.76,;-7.72,2.53,;-6.38,1.76,;-5.05,2.53,;-3.72,1.76,;-3.72,.22,;-5.05,-.55,;-6.38,.22,;-2.38,-.55,;-2.38,-2.09,;-3.72,-2.86,;-3.72,-4.4,;-2.38,-5.17,;-1.05,-4.4,;.42,-4.87,;1.32,-3.63,;.42,-2.38,;.82,-.89,;-.27,.2,;2.3,-.49,;3.39,-1.58,;4.88,-1.18,;5.28,.3,;6.77,.7,;7.16,2.19,;8.65,2.59,;9.05,4.08,;7.96,5.17,;6.47,4.77,;6.08,3.28,;4.19,1.39,;2.7,.99,;-1.05,-2.86,)|
C[C@H](N)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
C[C@@H]([C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12)N(C)C |r|
O[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:4.7,wD:1.0,(-9.07,3.85,;-7.74,3.08,;-7.74,1.54,;-6.41,.77,;-5.07,1.54,;-5.07,3.08,;-6.41,3.85,;-3.74,.77,;-3.74,-.77,;-5.07,-1.54,;-5.07,-3.08,;-3.74,-3.85,;-2.41,-3.08,;-.94,-3.56,;-.04,-2.31,;-.94,-1.06,;-.54,.42,;-1.63,1.51,;.95,.82,;2.03,-.27,;3.52,.13,;3.92,1.62,;5.41,2.02,;6.5,.93,;6.1,-.56,;7.19,-1.65,;8.67,-1.25,;9.07,.24,;7.98,1.33,;2.83,2.71,;1.34,2.31,;-2.41,-1.54,)|
O[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:4.7,wD:1.0,(-9.07,3.85,;-7.74,3.08,;-7.74,1.54,;-6.41,.77,;-5.07,1.54,;-5.07,3.08,;-6.41,3.85,;-3.74,.77,;-3.74,-.77,;-5.07,-1.54,;-5.07,-3.08,;-3.74,-3.85,;-2.41,-3.08,;-.94,-3.56,;-.04,-2.31,;-.94,-1.06,;-.54,.42,;-1.63,1.51,;.95,.82,;2.03,-.27,;3.52,.13,;3.92,1.62,;5.41,2.02,;6.5,.93,;6.1,-.56,;7.19,-1.65,;8.67,-1.25,;9.07,.24,;7.98,1.33,;2.83,2.71,;1.34,2.31,;.26,3.4,;-2.41,-1.54,)|
CN(C)CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:10.13,7.6,(-11.74,3.85,;-10.41,3.08,;-10.41,1.54,;-9.07,3.85,;-7.74,3.08,;-7.74,1.54,;-6.41,3.85,;-5.07,3.08,;-3.74,3.85,;-2.41,3.08,;-2.41,1.54,;-3.74,.77,;-5.07,1.54,;-1.07,.77,;-1.07,-.77,;-2.41,-1.54,;-2.41,-3.08,;-1.07,-3.85,;.26,-3.08,;1.73,-3.56,;2.63,-2.31,;1.73,-1.06,;2.13,.42,;1.04,1.51,;3.61,.82,;4.7,-.27,;6.19,.13,;6.59,1.62,;8.08,2.02,;9.16,.93,;8.77,-.56,;9.85,-1.65,;11.34,-1.25,;11.74,.24,;10.65,1.33,;5.5,2.71,;4.01,2.31,;.26,-1.54,)|
C[C@@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccn4)cc3)c12 |r|
C[C@@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4cccc(Cl)n4)cc3)c12 |r|
Clc1cc(Oc2ccccc2)ccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CCOC3)c12 |r|
Clc1cc(Oc2ccccc2)ccc1C(=O)c1c[nH]c2ncnc(N[C@H]3CCOC3)c12 |r|
C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r|
OC[C@H](O)CNC(=O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r|
CN(C)C[C@]1(O)CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:4.3,8.11,wD:4.4,(-8.38,.22,;-8.38,1.76,;-9.72,2.53,;-7.05,2.53,;-5.72,1.76,;-5.72,3.3,;-5.72,.22,;-4.38,-.55,;-3.05,.22,;-3.05,1.76,;-4.38,2.53,;-1.71,-.55,;-1.71,-2.09,;-3.05,-2.86,;-3.05,-4.4,;-1.71,-5.17,;-.38,-4.4,;1.08,-4.87,;1.99,-3.63,;1.08,-2.38,;1.48,-.89,;.39,.2,;2.97,-.49,;4.06,-1.58,;5.55,-1.18,;5.94,.3,;7.43,.7,;7.83,2.19,;9.32,2.59,;9.72,4.08,;8.63,5.17,;7.14,4.77,;6.74,3.28,;4.86,1.39,;3.37,.99,;2.28,2.08,;-.38,-2.86,)|
CN(C)C[C@@]1(O)CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:8.11,4.4,wD:4.3,(-8.38,.22,;-8.38,1.76,;-9.72,2.53,;-7.05,2.53,;-5.72,1.76,;-5.72,3.3,;-5.72,.22,;-4.38,-.55,;-3.05,.22,;-3.05,1.76,;-4.38,2.53,;-1.71,-.55,;-1.71,-2.09,;-3.05,-2.86,;-3.05,-4.4,;-1.71,-5.17,;-.38,-4.4,;1.08,-4.87,;1.99,-3.63,;1.08,-2.38,;1.48,-.89,;.39,.2,;2.97,-.49,;4.06,-1.58,;5.55,-1.18,;5.94,.3,;7.43,.7,;7.83,2.19,;9.32,2.59,;9.72,4.08,;8.63,5.17,;7.14,4.77,;6.74,3.28,;4.86,1.39,;3.37,.99,;2.28,2.08,;-.38,-2.86,)|
O[C@@H]1CC[C@@H](C[C@@H]1O)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
O[C@H]1CC[C@@H](C[C@H]1O)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
CN(C)CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:7.6,10.13,(-11.74,3.85,;-10.41,3.08,;-10.41,1.54,;-9.07,3.85,;-7.74,3.08,;-7.74,1.54,;-6.41,3.85,;-5.07,3.08,;-3.74,3.85,;-2.41,3.08,;-2.41,1.54,;-3.74,.77,;-5.07,1.54,;-1.07,.77,;-1.07,-.77,;-2.41,-1.54,;-2.41,-3.08,;-1.07,-3.85,;.26,-3.08,;1.73,-3.56,;2.63,-2.31,;1.73,-1.06,;2.13,.42,;1.04,1.51,;3.61,.82,;4.7,-.27,;6.19,.13,;6.59,1.62,;8.08,2.02,;9.16,.93,;8.77,-.56,;9.85,-1.65,;11.34,-1.25,;11.74,.24,;10.65,1.33,;5.5,2.71,;4.01,2.31,;2.92,3.4,;.26,-1.54,)|
C[C@@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4cccc(F)c4)cc3Cl)c12 |r|
C[C@@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4cccc(Cl)c4)cc3Cl)c12 |r|
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r|
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:8.7,wD:10.12,(-9.95,4.55,;-8.86,3.46,;-9.26,1.98,;-10.35,3.07,;-7.38,3.86,;-6.29,2.77,;-6.69,1.29,;-4.8,3.17,;-3.71,2.08,;-2.17,2.08,;-2.17,.54,;-3.71,.54,;-1.08,-.55,;-1.08,-2.09,;-2.41,-2.86,;-2.41,-4.4,;-1.08,-5.17,;.25,-4.4,;1.72,-4.87,;2.62,-3.63,;1.72,-2.38,;2.12,-.89,;1.03,.2,;3.6,-.49,;4.69,-1.58,;6.18,-1.18,;6.58,.3,;8.07,.7,;8.46,2.19,;9.95,2.59,;10.35,4.08,;9.26,5.17,;7.77,4.77,;7.38,3.28,;5.49,1.39,;4,.99,;.25,-2.86,)|
CC(C)(C)OC(=O)N[C@H]1C[C@H](C1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:8.7,10.12,(-9.95,4.55,;-8.86,3.46,;-9.26,1.98,;-10.35,3.07,;-7.38,3.86,;-6.29,2.77,;-6.69,1.29,;-4.8,3.17,;-3.71,2.08,;-2.17,2.08,;-2.17,.54,;-3.71,.54,;-1.08,-.55,;-1.08,-2.09,;-2.41,-2.86,;-2.41,-4.4,;-1.08,-5.17,;.25,-4.4,;1.72,-4.87,;2.62,-3.63,;1.72,-2.38,;2.12,-.89,;1.03,.2,;3.6,-.49,;4.69,-1.58,;6.18,-1.18,;6.58,.3,;8.07,.7,;8.46,2.19,;9.95,2.59,;10.35,4.08,;9.26,5.17,;7.77,4.77,;7.38,3.28,;5.49,1.39,;4,.99,;.25,-2.86,)|
OC[C@H]1C[C@@H](C1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:4.6,wD:2.1,(-8.32,2.77,;-6.83,3.17,;-5.74,2.08,;-5.74,.54,;-4.2,.54,;-4.2,2.08,;-3.11,-.55,;-3.11,-2.09,;-4.45,-2.86,;-4.45,-4.4,;-3.11,-5.17,;-1.78,-4.4,;-.31,-4.87,;.59,-3.63,;-.31,-2.38,;.08,-.89,;-1.01,.2,;1.57,-.49,;2.66,-1.58,;4.15,-1.18,;4.55,.3,;6.03,.7,;6.43,2.19,;7.92,2.59,;8.32,4.08,;7.23,5.17,;5.74,4.77,;5.34,3.28,;3.46,1.39,;1.97,.99,;-1.78,-2.86,)|
CC(C)(O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
N[C@@H]1CC[C@H](C1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r|
N[C@H]1C[C@H](C1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:1.0,3.5,(-7.57,3.17,;-6.49,2.08,;-4.95,2.08,;-4.95,.54,;-6.49,.54,;-3.86,-.55,;-3.86,-2.09,;-5.19,-2.86,;-5.19,-4.4,;-3.86,-5.17,;-2.52,-4.4,;-1.06,-4.87,;-.15,-3.63,;-1.06,-2.38,;-.66,-.89,;-1.75,.2,;.83,-.49,;1.92,-1.58,;3.4,-1.18,;3.8,.3,;5.29,.7,;5.69,2.19,;7.18,2.59,;7.57,4.08,;6.49,5.17,;5,4.77,;4.6,3.28,;2.71,1.39,;1.23,.99,;-2.52,-2.86,)|
N[C@H]1C[C@@H](C1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:1.0,wD:3.5,(-7.57,3.17,;-6.49,2.08,;-4.95,2.08,;-4.95,.54,;-6.49,.54,;-3.86,-.55,;-3.86,-2.09,;-5.19,-2.86,;-5.19,-4.4,;-3.86,-5.17,;-2.52,-4.4,;-1.06,-4.87,;-.15,-3.63,;-1.06,-2.38,;-.66,-.89,;-1.75,.2,;.83,-.49,;1.92,-1.58,;3.4,-1.18,;3.8,.3,;5.29,.7,;5.69,2.19,;7.18,2.59,;7.57,4.08,;6.49,5.17,;5,4.77,;4.6,3.28,;2.71,1.39,;1.23,.99,;-2.52,-2.86,)|
CC(=O)N[C@@H]1CC[C@H](C1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r|
C[C@H](O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:9.12,6.5,1.1,(-9.05,4.07,;-9.05,2.53,;-10.38,1.76,;-7.72,1.76,;-7.72,.22,;-6.38,2.53,;-5.05,1.76,;-3.72,2.53,;-2.38,1.76,;-2.38,.22,;-3.72,-.55,;-5.05,.22,;-1.05,-.55,;-1.05,-2.09,;-2.38,-2.86,;-2.38,-4.4,;-1.05,-5.17,;.29,-4.4,;1.75,-4.87,;2.66,-3.63,;1.75,-2.38,;2.15,-.89,;1.06,.2,;3.64,-.49,;4.03,.99,;5.52,1.39,;6.61,.3,;8.1,.7,;8.5,2.19,;9.99,2.59,;10.38,4.08,;9.29,5.17,;7.81,4.77,;7.41,3.28,;6.21,-1.18,;4.73,-1.58,;4.33,-3.07,;.29,-2.86,)|
CC(C)(O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:10.13,7.6,(-9.82,3.87,;-9.05,2.53,;-8.28,3.87,;-10.38,1.76,;-7.72,1.76,;-7.72,.22,;-6.38,2.53,;-5.05,1.76,;-3.72,2.53,;-2.38,1.76,;-2.38,.22,;-3.72,-.55,;-5.05,.22,;-1.05,-.55,;-1.05,-2.09,;-2.38,-2.86,;-2.38,-4.4,;-1.05,-5.17,;.29,-4.4,;1.75,-4.87,;2.66,-3.63,;1.75,-2.38,;2.15,-.89,;1.06,.2,;3.64,-.49,;4.03,.99,;5.52,1.39,;6.61,.3,;8.1,.7,;8.5,2.19,;9.99,2.59,;10.38,4.08,;9.29,5.17,;7.81,4.77,;7.41,3.28,;6.21,-1.18,;4.73,-1.58,;4.33,-3.07,;.29,-2.86,)|
C[C@@H](NC(C)=O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
CC(=O)N[C@H]1C[C@H](C1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:6.8,4.3,(-8.86,3.86,;-7.77,2.77,;-8.17,1.29,;-6.29,3.17,;-5.2,2.08,;-3.66,2.08,;-3.66,.54,;-5.2,.54,;-2.57,-.55,;-2.57,-2.09,;-3.9,-2.86,;-3.9,-4.4,;-2.57,-5.17,;-1.23,-4.4,;.23,-4.87,;1.13,-3.63,;.23,-2.38,;.63,-.89,;-.46,.2,;2.12,-.49,;3.2,-1.58,;4.69,-1.18,;5.09,.3,;6.58,.7,;6.98,2.19,;8.46,2.59,;8.86,4.08,;7.77,5.17,;6.29,4.77,;5.89,3.28,;4,1.39,;2.51,.99,;-1.23,-2.86,)|
C[C@@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3C)c12 |r|
C[C@H](NC(C)=O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r|
CC(=O)N[C@H]1C[C@@H](C1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:6.8,wD:4.3,(-8.86,3.86,;-7.77,2.77,;-8.17,1.29,;-6.29,3.17,;-5.2,2.08,;-5.2,.54,;-3.66,.54,;-3.66,2.08,;-2.57,-.55,;-2.57,-2.09,;-3.9,-2.86,;-3.9,-4.4,;-2.57,-5.17,;-1.23,-4.4,;.23,-4.87,;1.13,-3.63,;.23,-2.38,;.63,-.89,;-.46,.2,;2.12,-.49,;3.2,-1.58,;4.69,-1.18,;5.09,.3,;6.58,.7,;6.98,2.19,;8.46,2.59,;8.86,4.08,;7.77,5.17,;6.29,4.77,;5.89,3.28,;4,1.39,;2.51,.99,;-1.23,-2.86,)|
C[C@@]1(O)CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:5.8,1.1,wD:1.0,(-8.04,4.21,;-7.64,2.72,;-9.18,2.72,;-7.64,1.18,;-6.3,.41,;-4.97,1.18,;-4.97,2.72,;-6.3,3.49,;-3.64,.41,;-3.64,-1.13,;-4.97,-1.9,;-4.97,-3.44,;-3.64,-4.21,;-2.3,-3.44,;-.84,-3.91,;.07,-2.67,;-.84,-1.42,;-.44,.06,;-1.53,1.15,;1.05,.46,;2.14,-.63,;3.63,-.23,;4.02,1.26,;5.51,1.66,;6.6,.57,;8.09,.97,;9.18,-.12,;8.78,-1.61,;7.29,-2.01,;6.2,-.92,;2.93,2.35,;1.45,1.95,;.36,3.04,;-2.3,-1.9,)|
C[C@]1(O)CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:5.8,1.0,wD:1.1,(-8.06,4.21,;-7.66,2.72,;-9.15,2.32,;-7.66,1.18,;-6.33,.41,;-5,1.18,;-5,2.72,;-6.33,3.49,;-3.66,.41,;-3.66,-1.13,;-5,-1.9,;-5,-3.44,;-3.66,-4.21,;-2.33,-3.44,;-.86,-3.91,;.04,-2.67,;-.86,-1.42,;-.46,.06,;-1.55,1.15,;1.02,.46,;2.11,-.63,;3.6,-.23,;4,1.26,;5.49,1.66,;6.57,.57,;8.06,.97,;9.15,-.12,;8.75,-1.61,;7.26,-2.01,;6.18,-.92,;2.91,2.35,;1.42,1.95,;.33,3.04,;-2.33,-1.9,)|
C[C@H](O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:6.5,9.12,1.1,(-9.74,4.62,;-9.74,3.08,;-11.07,2.31,;-8.41,2.31,;-8.41,.77,;-7.07,3.08,;-5.74,2.31,;-4.41,3.08,;-3.07,2.31,;-3.07,.77,;-4.41,,;-5.74,.77,;-1.74,,;-1.74,-1.54,;-3.07,-2.31,;-3.07,-3.85,;-1.74,-4.62,;-.4,-3.85,;1.06,-4.33,;1.97,-3.08,;1.06,-1.83,;1.46,-.35,;.37,.74,;2.95,.05,;4.03,-1.04,;5.52,-.64,;5.92,.85,;7.41,1.25,;8.5,.16,;8.1,-1.33,;9.19,-2.42,;10.68,-2.02,;11.07,-.53,;9.99,.56,;4.83,1.94,;3.34,1.54,;-.4,-2.31,)|
CC(C)(O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:7.6,10.13,(-10.51,4.52,;-9.74,3.18,;-8.97,4.52,;-11.07,2.41,;-8.41,2.41,;-8.41,.87,;-7.07,3.18,;-5.74,2.41,;-4.41,3.18,;-3.07,2.41,;-3.07,.87,;-4.41,.1,;-5.74,.87,;-1.74,.1,;-1.74,-1.44,;-3.07,-2.21,;-3.07,-3.75,;-1.74,-4.52,;-.4,-3.75,;1.06,-4.22,;1.97,-2.98,;1.06,-1.73,;1.46,-.24,;.37,.85,;2.95,.16,;4.03,-.93,;5.52,-.54,;5.92,.95,;7.41,1.35,;8.5,.26,;8.1,-1.23,;9.19,-2.31,;10.68,-1.92,;11.07,-.43,;9.99,.66,;4.83,2.04,;3.34,1.64,;-.4,-2.21,)|
C[C@H](NC(C)=O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3C)c12 |r|
CC(=O)NC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r|
C[C@@H](O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:6.5,9.12,wD:1.1,(-9.74,4.62,;-9.74,3.08,;-11.07,2.31,;-8.41,2.31,;-8.41,.77,;-7.07,3.08,;-5.74,2.31,;-4.41,3.08,;-3.07,2.31,;-3.07,.77,;-4.41,,;-5.74,.77,;-1.74,,;-1.74,-1.54,;-3.07,-2.31,;-3.07,-3.85,;-1.74,-4.62,;-.4,-3.85,;1.06,-4.33,;1.97,-3.08,;1.06,-1.83,;1.46,-.35,;.37,.74,;2.95,.05,;4.03,-1.04,;5.52,-.64,;5.92,.85,;7.41,1.25,;8.5,.16,;9.99,.56,;11.07,-.53,;10.68,-2.02,;9.19,-2.42,;8.1,-1.33,;4.83,1.94,;3.34,1.54,;-.4,-2.31,)|
OC[C@H]1C[C@@H](C1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:4.6,wD:2.1,(-8.32,2.77,;-6.83,3.17,;-5.74,2.08,;-5.74,.54,;-4.2,.54,;-4.2,2.08,;-3.11,-.55,;-3.11,-2.09,;-4.45,-2.86,;-4.45,-4.4,;-3.11,-5.17,;-1.78,-4.4,;-.31,-4.87,;.59,-3.63,;-.31,-2.38,;.08,-.89,;-1.01,.2,;1.57,-.49,;2.66,-1.58,;4.15,-1.18,;4.55,.3,;6.03,.7,;6.43,2.19,;7.92,2.59,;8.32,4.08,;7.23,5.17,;5.74,4.77,;5.34,3.28,;3.46,1.39,;1.97,.99,;.88,2.08,;-1.78,-2.86,)|
C[C@H](O)C(=O)N[C@@H](C)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
C[C@H](O)C(=O)N[C@@H](C)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r|
C[C@H](O)C(=O)NC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
C[C@H](O)C(=O)NC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r|
CC(O)CCCCC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:10.9,13.16,(-12.41,-1.54,;-11.07,-.77,;-9.74,-1.54,;-11.07,.77,;-9.74,1.54,;-9.74,3.08,;-8.41,3.85,;-7.07,3.08,;-7.07,1.54,;-5.74,3.85,;-4.41,3.08,;-3.07,3.85,;-1.74,3.08,;-1.74,1.54,;-3.07,.77,;-4.41,1.54,;-.4,.77,;-.4,-.77,;-1.74,-1.54,;-1.74,-3.08,;-.4,-3.85,;.93,-3.08,;2.39,-3.56,;3.3,-2.31,;2.39,-1.06,;2.79,.42,;1.7,1.51,;4.28,.82,;5.37,-.27,;6.86,.13,;7.25,1.62,;8.74,2.02,;9.83,.93,;9.43,-.56,;10.52,-1.65,;12.01,-1.25,;12.41,.24,;11.32,1.33,;6.17,2.71,;4.68,2.31,;3.59,3.4,;.93,-1.54,)|
C[C@@H](O)C(=O)N[C@@H](C)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
CC(O)CCCCCC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:11.10,14.17,(-9.07,-.77,;-10.41,-1.54,;-10.41,-3.08,;-11.74,-.77,;-11.74,.77,;-10.41,1.54,;-10.41,3.08,;-9.07,3.85,;-7.74,3.08,;-7.74,1.54,;-6.41,3.85,;-5.07,3.08,;-3.74,3.85,;-2.41,3.08,;-2.41,1.54,;-3.74,.77,;-5.07,1.54,;-1.07,.77,;-1.07,-.77,;-2.41,-1.54,;-2.41,-3.08,;-1.07,-3.85,;.26,-3.08,;1.73,-3.56,;2.63,-2.31,;1.73,-1.06,;2.13,.42,;1.04,1.51,;3.61,.82,;4.7,-.27,;6.19,.13,;6.59,1.62,;8.08,2.02,;9.16,.93,;8.77,-.56,;9.85,-1.65,;11.34,-1.25,;11.74,.24,;10.65,1.33,;5.5,2.71,;4.01,2.31,;2.92,3.4,;.26,-1.54,)|
C[C@@H](O)C(=O)N[C@@H](C)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r|
C[C@@H](O)C(=O)NC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
C[C@@H](O)C(=O)NC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r|
CN1CCC(CC1)Nc1nc(N[C@@H]2CC[C@H](N)CC2)c2c(c[nH]c2n1)C(=O)c1ccccc1C |r,wU:15.16,12.12,(-7.83,-.77,;-6.5,-1.54,;-6.5,-3.08,;-5.16,-3.85,;-3.83,-3.08,;-3.83,-1.54,;-5.16,-.77,;-2.5,-3.85,;-1.16,-3.08,;-1.16,-1.54,;.17,-.77,;.17,.77,;-1.16,1.54,;-1.16,3.08,;-2.5,3.85,;-3.83,3.08,;-5.16,3.85,;-3.83,1.54,;-2.5,.77,;1.5,-1.54,;2.97,-1.06,;3.87,-2.31,;2.97,-3.56,;1.5,-3.08,;.17,-3.85,;3.37,.42,;2.28,1.51,;4.86,.82,;5.94,-.27,;7.43,.13,;7.83,1.62,;6.74,2.71,;5.25,2.31,;4.17,3.4,)|
Cc1ccccc1C(=O)c1c[nH]c2nc(N)nc(N[C@@H]3CC[C@H](N)CC3)c12 |r,wU:22.23,19.19,(2.83,3.4,;3.92,2.31,;5.41,2.71,;6.5,1.62,;6.1,.13,;4.61,-.27,;3.52,.82,;2.03,.42,;.95,1.51,;1.64,-1.06,;2.54,-2.31,;1.64,-3.56,;.17,-3.08,;-1.16,-3.85,;-2.5,-3.08,;-3.83,-3.85,;-2.5,-1.54,;-1.16,-.77,;-1.16,.77,;-2.5,1.54,;-2.5,3.08,;-3.83,3.85,;-5.16,3.08,;-6.5,3.85,;-5.16,1.54,;-3.83,.77,;.17,-1.54,)|
CNc1nc(N[C@@H]2CC[C@H](N)CC2)c2c(c[nH]c2n1)C(=O)c1ccccc1C |r,wU:9.9,6.5,(-5.16,-3.08,;-3.83,-3.85,;-2.5,-3.08,;-2.5,-1.54,;-1.16,-.77,;-1.16,.77,;-2.5,1.54,;-2.5,3.08,;-3.83,3.85,;-5.16,3.08,;-6.5,3.85,;-5.16,1.54,;-3.83,.77,;.17,-1.54,;1.64,-1.06,;2.54,-2.31,;1.64,-3.56,;.17,-3.08,;-1.16,-3.85,;2.03,.42,;.95,1.51,;3.52,.82,;4.61,-.27,;6.1,.13,;6.5,1.62,;5.41,2.71,;3.92,2.31,;2.83,3.4,)|
CN1CCN(CC1)c1nc(N[C@@H]2CC[C@H](N)CC2)c2c(c[nH]c2n1)C(=O)c1ccccc1C |r,wU:14.15,11.11,(-7.16,-5,;-5.83,-4.23,;-5.83,-2.69,;-4.5,-1.92,;-3.16,-2.69,;-3.16,-4.23,;-4.5,-5,;-1.83,-1.93,;-1.83,-.38,;-.5,.38,;-.5,1.93,;-1.83,2.69,;-1.83,4.23,;-3.16,5,;-4.5,4.23,;-5.83,5,;-4.5,2.69,;-3.16,1.93,;.84,-.38,;2.3,.09,;3.21,-1.15,;2.3,-2.4,;.84,-1.93,;-.5,-2.69,;2.7,1.58,;1.61,2.67,;4.19,1.98,;5.28,.89,;6.77,1.29,;7.16,2.77,;6.08,3.86,;4.59,3.46,;3.5,4.55,)|
CN1CCN(CC(=O)N[C@H]2CC[C@H](CC2)Nc2ncnc3[nH]cc(C(=O)c4ccccc4Cl)c23)CC1 |r,wU:9.8,12.15,(-10.5,.77,;-9.16,1.54,;-9.16,3.08,;-7.83,3.85,;-6.5,3.08,;-5.16,3.85,;-3.83,3.08,;-3.83,1.54,;-2.5,3.85,;-1.16,3.08,;.17,3.85,;1.5,3.08,;1.5,1.54,;.17,.77,;-1.16,1.54,;2.84,.77,;2.84,-.77,;1.5,-1.54,;1.5,-3.08,;2.84,-3.85,;4.17,-3.08,;5.64,-3.56,;6.54,-2.31,;5.64,-1.06,;6.04,.42,;4.95,1.51,;7.52,.82,;7.92,2.31,;9.41,2.71,;10.5,1.62,;10.1,.13,;8.61,-.27,;8.21,-1.75,;4.17,-1.54,;-6.5,1.54,;-7.83,.77,)|
NC1CCN(C1)c1ncnc2[nH]cc(C(=O)c3ccccc3)c12 |w:1.0|
O=C(CC1CCOCC1)NC1CCN(C1)c1ncnc2[nH]cc(C(=O)c3ccccc3)c12 |w:10.10|
COCCC(=O)NC1CCN(C1)c1ncnc2[nH]cc(C(=O)c3ccccc3)c12 |w:7.6|
CC(C)(C)OC(=O)N1CCC(C1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3)c12 |w:12.12|
O=C(c1c[nH]c2ncnc(NC3CCNC3)c12)c1ccccc1 |w:10.10|
O=C(CC1CCOCC1)N1CCC(C1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3)c12 |w:14.15|
COCCC(=O)N1CCC(C1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3)c12 |w:11.11|
O=C(c1c[nH]c2ncnc(NCCCN3CCCC3=O)c12)c1ccccc1
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cc(NC(=O)c4ccccc4)ccc3Cl)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cc(NC(=O)Cc4ccccc4)ccc3Cl)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cc(NC(=O)C4CCOCC4)ccc3Cl)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cc(NC(=O)c4cncs4)ccc3Cl)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cc(NC(=O)C4(CC4)c4ccccc4)ccc3Cl)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cc(NC(=O)c4cc5CCCCc5cn4)ccc3Cl)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cc(NC(=O)c4nccc5ccccc45)ccc3Cl)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cc(NC(=O)Nc4ccccc4)ccc3Cl)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cc(NC(=O)Nc4cccnc4)ccc3Cl)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(cc3Cl)C(=O)Nc3ccccc3)c12 |r|
COCCNC(=O)Nc1ccc(Cl)c(c1)C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CO)OC3)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(cc3Cl)C(=O)N3CCOCC3)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cc(ccc3Cl)C(=O)N3CCOCC3)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(cc3Cl)C(=O)Nc3cccc(c3)C#N)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(cc3Cl)C(=O)Nc3cccnc3)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(cc3Cl)C(=O)N3CCc4ccccc4C3)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(cc3Cl)C(=O)N3CCN(CC3)c3ccccn3)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(cc3Cl)C(=O)N3CCCCC3)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(cc3Cl)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(CC(=O)c2ccc(C(=O)c3c[nH]c4ncnc(N[C@@H]5CC[C@@H](CO)OC5)c34)c(Cl)c2)cn1 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(cc3Cl)C(=O)Nc3ccncc3)c12 |r|
CN1CCN(CC1)C(=O)c1ccc(C(=O)c2c[nH]c3ncnc(N[C@@H]4CC[C@@H](CO)OC4)c23)c(Cl)c1 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(cc3Cl)C(=O)NC3CC4(COC4)C3)c12 |r|
CN1CCN(CC1)C(=O)c1ccc(Cl)c(c1)C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CO)OC3)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cc(ccc3Cl)C(=O)N3CCCCC3)c12 |r|
COCCNC(=O)c1ccc(Cl)c(c1)C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CO)OC3)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cc(ccc3Cl)C(=O)N3CCc4ccccc4C3)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cc(ccc3Cl)C(=O)NCCN3CCOCC3)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cc(ccc3Cl)C(=O)N3CCN(CC3)c3ccccn3)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cc(ccc3Cl)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(NC(=O)c2ccc(Cl)c(c2)C(=O)c2c[nH]c3ncnc(N[C@@H]4CC[C@@H](CO)OC4)c23)cn1 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cc(ccc3Cl)C(=O)Nc3cccc(c3)C#N)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cc(ccc3Cl)C(=O)Nc3ccccc3)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cccc(c3)C(=O)Nc3ccccc3)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(cc3)C(=O)Nc3ccccc3)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(NC(=O)c4ccccc4)cc3Cl)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(NC(=O)Cc4ccccc4)cc3Cl)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(NC(=O)C4(CC4)c4ccccc4)cc3Cl)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(NC(=O)COCc4ccccc4)cc3Cl)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cccc(NC(=O)c4ccccc4)c3)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cccc(NC(=O)c4ccccn4)c3)c12 |r|
COCC(=O)Nc1cccc(c1)C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CO)OC3)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(cc3Cl)N3CCOCC3)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(cc3Cl)N3CCCCC3)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(cc3Cl)N3CC4(COC4)C3)c12 |r|
COCCOc1ccc(cc1)C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CO)OC3)c12 |r|
COCCOc1ccc(C(=O)c2c[nH]c3ncnc(N[C@@H]4CC[C@@H](CO)OC4)c23)c(Cl)c1 |r|
COCCOc1ccc(Cl)c(c1)C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CO)OC3)c12 |r|
COCCOc1cccc(c1)C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CO)OC3)c12 |r|
OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Nc4ccccc4)cc3Cl)c12 |r|
CNC(=O)c1cccc(Oc2ccc(cc2)C(=O)c2c[nH]c3ncnc(N[C@@H]4CC[C@@H](CO)OC4)c23)n1 |r|
CNC(=O)c1cccc(Oc2ccc(C(=O)c3c[nH]c4ncnc(N[C@@H]5CC[C@@H](CO)OC5)c34)c(Cl)c2)n1 |r|
CNC(=O)c1ccc(Oc2ccc(C(=O)c3c[nH]c4ncnc(N[C@@H]5CC[C@@H](CO)OC5)c34)c(Cl)c2)cn1 |r|
COc1ccccc1C(=O)NCc1ccc(C(=O)c2c[nH]c3ncnc(N[C@@H]4CC[C@@H](CO)OC4)c23)c(Cl)c1 |r|
CC#CC(=O)N1CCCC(C1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |w:9.11|
CC#CC(=O)N1CCCC1CNc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |w:10.10|
Clc1cc(Oc2ccccc2)ccc1C(=O)c1c[nH]c2ncnc(NC3CCCN(C3)C(=O)C=C)c12 |w:25.26|
Clc1cc(Oc2ccccc2)ccc1C(=O)c1c[nH]c2ncnc(NCC3CCCN3C(=O)C=C)c12 |w:25.27|
Clc1cc(Oc2ccccc2)ccc1C(=O)c1c[nH]c2ncnc(NC3CCCN(C3)S(=O)(=O)C=C)c12 |w:25.26|
Clc1cc(Oc2ccccc2)ccc1C(=O)c1c[nH]c2ncnc(NCC3CCCN3S(=O)(=O)C=C)c12 |w:25.27|
CS(=O)(=O)N1CC(CCC1CO)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
OCC1CCC(CN1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
CC(=O)N1CC(CCC1CO)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
OC[C@@H]1C[C@H](CN1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
CN1C[C@@H](C[C@H]1CO)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
CC(=O)N1C[C@@H](C[C@H]1CO)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
CS(=O)(=O)N1C[C@@H](C[C@H]1CO)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
OC[C@@H]1C[C@@H](CNc2ncnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)CN1 |r|
CN1C[C@H](CNc2ncnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)C[C@H]1CO |r|
OC[C@@H]1C[C@@H](CNc2ncnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)CN1Cc1ccccc1 |r|
OC[C@@H]1CC[C@H](CNc2ncnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)O1 |r|
OC[C@@H]1CCC[C@H](CNc2ncnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)N1 |r|
CN1[C@H](CO)CCC[C@@H]1CNc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)N1CN(c2c1ncnc2N)c1ccc(Oc2ccccc2)cc1F)N1CCC1 |r,w:3.2|
CC(C)(CO)C=C(C#N)C(=O)N1CCC[C@H](C1)N1CN(c2c1ncnc2N)c1ccc(Oc2ccccc2)cc1F |r,w:5.4|
CN1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)N1CN(c2c1ncnc2N)c1ccc(Oc2ccccc2)cc1F |r,w:10.10|
CCn1cc(Nc2nc(N[C@H]3CN(CC[C@H]3F)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r|
FC(F)Cn1cc(Nc2nc(N[C@H]3CN(CC[C@H]3F)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r|
F[C@@H]1CCN(C[C@@H]1Nc1nc(Nc2cnn(c2)C2CC2)nc2[nH]cc(Cl)c12)C(=O)C=C |r|
F[C@@H]1CCN(C[C@@H]1Nc1nc(Nc2cnoc2)nc2[nH]cc(Cl)c12)C(=O)C=C |r|
F[C@@H]1CCN(C[C@@H]1Nc1nc(Nc2cnsc2)nc2[nH]cc(Cl)c12)C(=O)C=C |r|
CCn1cc(Nc2nc(N[C@H]3CN(CC[C@H]3F)C(=O)C=C)c3c(c[nH]c3n2)C#N)cn1 |r|
FC(F)Cn1cc(Nc2nc(N[C@H]3CN(CC[C@H]3F)C(=O)C=C)c3c(c[nH]c3n2)C#N)cn1 |r|
F[C@@H]1CCN(C[C@@H]1Nc1nc(Nc2cnn(c2)C2CC2)nc2[nH]cc(C#N)c12)C(=O)C=C |r|
F[C@@H]1CCN(C[C@@H]1Nc1nc(Nc2cnoc2)nc2[nH]cc(C#N)c12)C(=O)C=C |r|
CCn1cc(Nc2nc(N[C@H]3CN(CC[C@H]3F)C(=O)C=C)c3c(C)c[nH]c3n2)cn1 |r|
Cc1c[nH]c2nc(Nc3cnoc3)nc(N[C@H]3CN(CC[C@H]3F)C(=O)C=C)c12 |r|
CCn1cc(Nc2nc(N[C@H]3CN(CC[C@@H]3F)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r|
Fc1ccc(NC(=O)C=C)cc1Oc1nc(Nc2cnn(c2)C2CC2)nn2cccc12
CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cccn3n2)cc1
Cn1cc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cccn3n2)cn1
FC(F)Cn1cc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cccn3n2)cn1
Cc1cc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cccn3n2)sn1
CCn1cc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cccn3n2)cn1
Cc1cc(Nc2nc(Oc3cc(NC(=O)C=C)ccc3F)c3cccn3n2)sn1
CCn1cc(Nc2nc(Oc3cc(NC(=O)C=C)ccc3F)c3cccn3n2)cn1
Cn1ccc(Nc2nc(Oc3cc(NC(=O)C=C)ccc3F)c3cccn3n2)c1
CC(C)Cn1cc(Nc2nc(Oc3cc(NC(=O)C=C)ccc3F)c3cccn3n2)cn1
C=CC(=O)Nc1cccc(Oc2nc(Nc3cnn(c3)C3CC3)nn3cccc23)c1
CN(C)c1ccc(Nc2nc(Oc3cc(NC(=O)C=C)ccc3F)c3cccn3n2)cc1
Fc1ccc(NC(=O)C=C)cc1Oc1nc(Nc2ccc(Oc3ccccc3)cc2)nn2cccc12
Fc1ccc(NC(=O)C=C)cc1Oc1nc(Nc2ccc3ncsc3c2)nn2cccc12
Fc1ccc(NC(=O)C=C)cc1Oc1nc(Nc2cccnc2)nn2cccc12
CC(C)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cccn3n2)cc1
COc1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cccn3n2)cc1
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(cc3)C(=O)N3CCOCC3)nn3cccc23)c1
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccsc3)nn3cccc23)c1
Cn1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cccn3n2)n1
CN(C)Cc1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cccn3n2)cc1
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(cc3)N3CCOCC3)nn3cccc23)c1
CNc1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cccn3n2)cc1
CN1CCn2nc(Nc3nc(Oc4cccc(NC(=O)C=C)c4)c4cccn4n3)cc2C1
CN1CCN(CC1)c1ccc(Nc2nc(Oc3cc(NC(=O)C=C)ccc3F)c3cccn3n2)cc1
FC(F)Cn1cc(Nc2nc(Oc3cc(NC(=O)C=C)ccc3F)c3cccn3n2)cn1
Cn1cc(Nc2nc(Oc3cc(NC(=O)C=C)ccc3F)c3cccn3n2)cn1
COc1ccc(Nc2nc(Oc3cc(NC(=O)C=C)ccc3F)c3cccn3n2)cc1
Fc1ccc(NC(=O)C=C)cc1Oc1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)nn2cccc12
Fc1ccc(NC(=O)C=C)cc1Oc1nc(Nc2ccsc2)nn2cccc12
Fc1ccc(NC(=O)C=C)cc1Oc1nc(Nc2ccc(cc2)N2CCOCC2)nn2cccc12
CCCn1cc(Nc2nc(Oc3cc(NC(=O)C=C)ccc3F)c3cccn3n2)cn1
FC(F)n1cc(Nc2nc(Oc3cc(NC(=O)C=C)ccc3F)c3cccn3n2)cn1
Fc1ccc(NC(=O)C=C)cc1Oc1nc(Nc2cnn(c2)C2CCOCC2)nn2cccc12
Fc1ccc(NC(=O)C=C)cc1Oc1nc(Nc2cnn(CCN3CCOCC3)c2)nn2cccc12
CC(C)n1cc(Nc2nc(Oc3cc(NC(=O)C=C)ccc3F)c3cccn3n2)cn1
Fc1ccc(NC(=O)C=C)cc1Oc1nc(Nc2cnn(c2)C2CCNCC2)nn2cccc12
Fc1ccc(NC(=O)C=C)cc1Oc1nc(Nc2cnn(CC(F)(F)F)c2)nn2cccc12
Cc1cc(C)n(n1)-c1ccc(Nc2nc(Oc3cc(NC(=O)C=C)ccc3F)c3cccn3n2)cc1
COCCn1cc(Nc2nc(Oc3cc(NC(=O)C=C)ccc3F)c3cccn3n2)cn1
CC(F)Cn1cc(Nc2nc(Oc3cc(NC(=O)CCl)ccc3F)c3cccn3n2)cn1
Fc1ccc(NC(=O)CCl)cc1Oc1nc(Nc2cnn(c2)C2CCOCC2)nn2cccc12
CCn1cc(Nc2nc(Oc3cc(NC(=O)CCl)ccc3F)c3cccn3n2)cn1
CCn1cc(Nc2nc(Oc3cc(NC(=O)\C=C\CCl)ccc3F)c3cccn3n2)cn1
Fc1ccc(NC(=O)C=C)cc1Oc1nc(Nc2cnoc2)nn2cccc12
CCn1cc(Nc2nc(Oc3cc(NC(=O)C=C)ccc3Cl)c3cccn3n2)cn1
CCn1cc(Nc2nc(Oc3ccc(C)c(NC(=O)C=C)c3)c3cccn3n2)cn1
Cc1ccc(Oc2nc(Nc3cnn(CC(F)F)c3)nn3cccc23)cc1NC(=O)C=C
CCC#CC(=O)Nc1ccc(F)c(Oc2nc(Nc3cnn(CC(F)F)c3)nn3cccc23)c1
CC(=O)N1CCc2ccc(Nc3ncc4c(Nc5c(C)cccc5C)nn(C)c4n3)cc2C1
Cc1cccc(C)c1Nc1nn(C)c2nc(Nc3ccc4CCNCc4c3)ncc12
COc1cc2CNCCc2cc1Nc1ncc2c(Nc3c(C)cccc3C)nn(C)c2n1
Cc1cccc(C)c1Nc1nn(C)c2nc(Nc3ccc4CN(CCc4c3)C(=O)C(F)(F)F)ncc12
Cc1cccc(C)c1Nc1nn(C)c2nc(Nc3ccc4CNCCc4c3)ncc12
CC(=O)N1CCc2cc(Nc3ncc4c(Nc5c(C)cccc5C)nn(C)c4n3)ccc2C1
Cn1nc(Nc2c(Cl)cccc2Cl)c2cnc(N\C3=C\C=C\CCN(C/C=C/3)C(=O)C(F)(F)F)nc12 |t:19,21,27|
Cn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccc4CCNCc4c3)nc12
CC(=O)N1CCc2ccc(Nc3ncc4c(Nc5c(Cl)cccc5Cl)nn(C)c4n3)cc2C1
Cc1cccc(C)c1Nc1nn(C)c2nc(Nc3ccc4CCN(Cc4c3)C(O)C=C)ncc12
Cn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccc4CNCCc4c3)nc12
CC(=O)N1CCc2cc(Nc3ncc4c(Nc5c(Cl)cccc5Cl)nn(C)c4n3)ccc2C1
CN1CCc2ccc(Nc3ncc4c(Nc5c(C)cccc5C)nn(C)c4n3)cc2C1
Cc1cccc(C)c1Nc1nn(C)c2nc(Nc3ccc4CCOCc4c3)ncc12
Cc1cccc(C)c1Nc1n[nH]c2nc(Nc3ccc4CCNCc4c3)ncc12
CC(C)N1CCc2ccc(Nc3ncc4c(Nc5c(C)cccc5C)nn(C)c4n3)cc2C1
Cc1cccc(C)c1Nc1nn(C)c2nc(Nc3ccc4CCN(Cc4c3)C(=O)CO)ncc12
Cc1cccc(C)c1Nc1nn(C)c2nc(Nc3ccc4CCN(Cc4c3)C(=O)C3CC3)ncc12
CC1N=C(Nc2c(C)cccc2C)c2cnc(Nc3ccc4CCN(CCO)Cc4c3)nc12 |t:2|
Cc1cccc(C)c1Nc1nn(C2CCCC2)c2nc(Nc3ccc4CCNCc4c3)ncc12
Cc1cccc(C)c1Nc1nn(C2CCCCC2)c2nc(Nc3ccc4CCNCc4c3)ncc12
CC(C)n1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc4CCNCc4c3)nc12
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nn(C)c2nc(Nc3ccc4CCNCc4c3)ncc12
Cc1ccc(NC(O)c2cccc(c2)C(F)(F)F)c(C)c1Nc1nn(C)c2nc(Nc3ccc4CCNCc4c3)ncc12
COCCOc1ccc(Nc2nn(C)c3nc(Nc4ccc5CCNCc5c4)ncc23)c(C)c1
CCc1ccc(Nc2ncc3c(Nc4c(C)cccc4C)nn(C)c3n2)cc1CNC(=O)CN(C)C
CCN1CCc2ccc(NC3NC=c4c(Nc5c(C)cccc5C)nn(C)c4=N3)cc2C1 |c:29,t:12|
Cc1cc(Oc2ccccc2)cc(C)c1Nc1nn(C)c2nc(Nc3ccc4CCNCc4c3)ncc12
Cc1cc(cc(C)c1Nc1nn(C)c2nc(Nc3ccc4CCNCc4c3)ncc12)C(=O)N\C=N\C=C/C=C
COc1cc(C)c(Nc2nn(C)c3nc(Nc4ccc5CCNCc5c4)ncc23)c(C)c1
CCc1cccc(CC)c1Nc1nn(C)c2nc(Nc3ccc4CCNCc4c3)ncc12
Cc1ccc(Nc2nn(C)c3nc(Nc4ccc5CCNCc5c4)ncc23)c(C)c1
Cc1cc(F)cc(C)c1Nc1nn(C)c2nc(Nc3ccc4CCNCc4c3)ncc12
Cc1cccc(C)c1Nc1nn(C)c2nc(Nc3ccc4c(CNCC4(C)C)c3)ncc12
CC1=CCC(NC(O)c2cccc(c2)C(F)(F)F)C=C1Nc1nn(C)c2nc(Nc3ccc4CCNCc4c3)ncc12 |c:19,t:1|
Cc1cccc(Cl)c1Nc1nn(C)c2nc(Nc3ccc4CCNCc4c3)ncc12
CC(C)C1NCCc2ccc(Nc3ncc4c(Nc5c(C)cccc5C)nn(C)c4n3)cc12
Cc1cccc(C)c1Nc1nn(C)c2nc(Nc3ccc4CC(C)(C)NCc4c3)ncc12
Cc1cccc(C)c1Nc1nn(C2CCC(O)CC2)c2nc(Nc3ccc4CCNCc4c3)ncc12 |(4.45,6.12,;5.79,5.35,;7.12,6.12,;8.45,5.35,;8.45,3.81,;7.12,3.04,;7.12,1.5,;5.79,3.81,;4.45,3.04,;3.68,1.71,;4.59,.46,;3.68,-.79,;4.45,-2.12,;3.68,-3.45,;4.45,-4.79,;5.99,-4.79,;6.76,-6.12,;6.76,-3.45,;5.99,-2.12,;2.22,-.31,;.88,-1.08,;-.45,-.31,;-1.78,-1.08,;-3.12,-.31,;-3.12,1.23,;-4.45,2,;-5.79,1.23,;-7.12,2,;-8.45,1.23,;-8.45,-.31,;-7.12,-1.08,;-5.79,-.31,;-4.45,-1.08,;-.45,1.23,;.88,2,;2.22,1.23,)|
CC1Cc2ccc(Nc3ncc4c(Nc5c(C)cccc5C)nn(C)c4n3)cc2C(C)N1
Cc1cccc(C)c1Nc1nn(C)c2nc(Nc3ccc4CNCc4c3)ncc12
Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1Nc1nn(C)c2nc(Nc3ccc4CCNCc4c3)ncc12
Cc1cccc(C)c1Nc1nn(C)c2=NC(NC3CC=C4CCNC(C)(C)C4=C3)NC=c12 |c:29,t:14,20,33|
Cc1cccc(C)c1Nc1nn(C)c2nc(Nc3ccc4CCNC(C)(C)c4c3)ncc12
CC(=O)N1CCC2=CCC(Nc3ncc4c(Nc5c(C)cccc5C)nn(C)c4n3)C=C2C1(C)C |c:33,t:6|
CC1\C=C\C(C\C=C\CCN1C(C)=O)Nc1ncc2c(Nc3c(C)cccc3C)nn(C)c2n1 |t:2,6|
CN1Cc2cc(Nc3ncc4c(Nc5c(C)cccc5C)nn(C)c4n3)ccc2C(C)(C)C1
CCc1ccc(Nc2ncc3c(Nc4cc(NC(=O)c5cccc(c5)C(F)(F)F)ccc4C)nn(C)c3n2)cc1C(C)NC
CC(C)C1N(C)CCc2ccc(Nc3ncc4c(Nc5c(C)cccc5C)nn(C)c4n3)cc12
Cc1cccc(C)c1Nc1nn(C)c2nc(Nc3ccc(cc3)C3CCNCC3)ncc12
CC(=O)N1CCC(CC1)c1ccc(Nc2ncc3c(Nc4c(C)cccc4C)nn(C)c3n2)cc1
CC(C)(O)[C@H]1CCc2c(C1)[nH]c1c(cc(Cl)c(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O |r|
CC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cn1
Cc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nnc(C(C)(C)C)o3)c2[nH]1
Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4nnc(C(C)(C)C)o4)c3[nH]2)cnn1C1CCOCC1
Cc1cc(-c2nc3c(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4nnc(C(C)(C)C)o4)ccnc3[nH]2)nn1C
Cc1nn(C(C)C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCCC4NC(=O)c3nc(C4(C)CC4)no3)ccnc2[nH]1
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nnc(C(C)(C)C)o3)ccnc2[nH]1
CCn1ncc(-c2nc3c(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)c1C
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCCC5NC(=O)c4noc(C(C)(C)C)n4)ccnc3[nH]2)cnn1C(C)C
CC(C)(C)c1noc(C(=O)N[C@@H]2CCCc3cc(-c4ccnc5[nH]c(-c6cnn(C7CC7)c6)nc45)ccc32)n1
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3noc(C4(C)CC4)n3)ccnc2[nH]1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4noc(C5(C)CC5)n4)ccnc3[nH]2)cnn1C(C)C
Cn1cc(-c2nc3c(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4noc(C(C)(C)C)n4)ccnc3[nH]2)cn1
CCc1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@@H]5NC(=O)c4nnc(C(C)(C)C)o4)c3[nH]2)nn1C
Cc1c(-c2nc3c(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4nc(C5(C)CC5)no4)ccnc3[nH]2)cnn1C1CCOCC1
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3noc(C(C)(C)C)n3)ccnc2[nH]1
Cn1cc(-c2nc3c(-c4ccc5c(c4)CCCC[C@@H]5NC(=O)c4nnc(C(C)(C)C)o4)ccnc3[nH]2)cn1
Cc1nn(C(C)C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3noc(C(C)(C)C)n3)ccnc2[nH]1
Cn1cc(-c2nc3c(-c4ccc5c(c4)OCCCC5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)cn1
CC(C)n1cc(-c2nc3c(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4cc(C(C)(C)C)on4)ccnc3[nH]2)cn1
Cn1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@H]5NC(=O)N4CC(OC(C)(C)C)C4)c3[nH]2)cn1
Cn1cc(-c2nc3c(-c4ccc5c(c4)CCCCC5NC(=O)c4nnc(C(C)(C)C)o4)ccnc3[nH]2)cn1
Cn1cc(-c2nc3c(-c4ccc5c(c4)OCCC[C@H]5NC(=O)c4noc(C(C)(C)C)n4)ccnc3[nH]2)cn1
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3noc(C(C)(C)C)n3)ccnc2[nH]1
Cn1cc(-c2nc3c(-c4ccc5c(c4)OCCC[C@@H]5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)cn1
Cn1cc(-c2nc3c(-c4ccc5c(c4)CCCCC5NC(=O)c4noc(C5(C)CC5)n4)ccnc3[nH]2)cn1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4noc(C5(C)CC5)n4)ccnc3[nH]2)cnn1C1CCOCC1
Cc1nn(C(C)C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3noc(C4(C)CC4)n3)ccnc2[nH]1
CC(C)(C)c1noc(C(=O)NC2CCCCc3cc(-c4ccnc5[nH]c(-c6cnn(C7CC7)c6)nc45)ccc32)n1
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCC[C@H]4NC(=O)c3nc(C(C)(C)C)no3)ccnc2[nH]1
CC(C)n1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@H](CCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r|
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nc(C4(C)CC4)no3)ccnc2[nH]1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCC5NC(=O)c4noc(C(C)(C)C)n4)ccnc3[nH]2)cnn1C(C)C
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCCC4NC(=O)c3noc(C(C)(C)C)n3)ccnc2[nH]1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)cnn1C(C)C
Cn1cc(-c2nc3c(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4noc(C5(C)CC5)n4)ccnc3[nH]2)cn1
Cc1nn(C(C)C)cc1-c1nc2c(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3noc(C(C)(C)C)n3)ccnc2[nH]1
Cc1nn(C(C)C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCCC4NC(=O)c3nnc(C(C)(C)C)o3)ccnc2[nH]1
Cn1cc(-c2nc3c(-c4ccc5c(c4)CCCCC5NC(=O)c4noc(C5(C)CC5)n4)ccnc3[nH]2)cn1
Cc1nn(cc1-c1nc2c(ccnc2[nH]1)-c1ccc2[C@H](CCCc2c1)NC(=O)c1nc(no1)C(C)(C)C)C1CCOCC1 |r|
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCCC5NC(=O)c4noc(C5(C)CC5)n4)ccnc3[nH]2)cnn1C(C)C
Cn1cc(-c2nc3c(-c4ccc5c(c4)CCCCC5NC(=O)c4noc(C(C)(C)C)n4)ccnc3[nH]2)cn1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4noc(C(C)(C)C)n4)ccnc3[nH]2)cnn1C(C)C
Cc1nn(C(C)C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCCC4NC(=O)c3noc(C4(C)CC4)n3)ccnc2[nH]1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCCC5NC(=O)c4oc(C(C)(C)C)n[o+]4)ccnc3[nH]2)cnn1C(C)C
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCCC4NC(=O)c3noc(C4(C)CC4)n3)ccnc2[nH]1
Cn1cc(-c2nc3c(-c4ccc5c(c4)CCCCC5NC(=O)N4CC(OC(C)(C)C)C4)ccnc3[nH]2)cn1
Cn1cc(-c2nc3c(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4noc(C5(C)CC5)n4)ccnc3[nH]2)cn1
CCn1nc(-c2nc3nccc(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cc1C
OCc1c(cccc1-c1ccnc2[nH]c(nc12)-c1ccc(cc1)C(=O)N1CCOCC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1
OCc1c(cccc1-c1ccnc2[nH]c(nc12)-c1cccnc1)N1CCOc2cc(cc(F)c2C1=O)C1CC1
CN1CCC(=CC1)c1ccc(cc1)-c1nc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:4|
Cc1c(NC(=O)c2ccc3c(OCC3(C)C)c2)cc(F)cc1-c1ccnc2[nH]c(nc12)-c1ccc(cc1)C(=O)N1CCOCC1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1ccnc2[nH]c(nc12)-c1ccc(cc1)C(=O)N1CCOCC1
OCc1c(cccc1-c1ccnc2[nH]c(nc12)-c1ccc(cc1)C(=O)N1CCOCC1)N1CCc2cc(ccc2C1=O)C1CC1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1cccc(N2CCc3cc(ccc3C2=O)C2CC2)c1CO
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)c(F)c1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1ccnc2[nH]c(nc12)-c1cnn(C)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1cc(F)cc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1cnc(CNC(=O)c2noc(n2)C(C)(C)C)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1cnc(CNC(=O)c2nnc(o2)C(C)(C)C)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)CCCC(C)(C)C)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)C2CCC(CC2)C(C)(C)C)c(F)c1 |(7.1,-4.87,;5.85,-5.78,;4.39,-5.3,;3.48,-6.54,;4.39,-7.79,;5.85,-7.32,;1.94,-6.54,;1.04,-5.3,;-.43,-5.78,;-1.76,-5,;-3.1,-5.78,;-3.1,-7.31,;-1.76,-8.08,;-.43,-7.31,;1.04,-7.79,;-1.76,-3.47,;-3.1,-2.69,;-3.1,-1.15,;-1.76,-.38,;-1.76,1.15,;-.43,1.93,;-.43,3.47,;.91,4.23,;-1.76,4.23,;-1.76,5.78,;-3.1,6.54,;-4.43,5.78,;-4.43,4.23,;-3.1,3.47,;-5.76,6.54,;-5.76,8.08,;-7.1,5.78,;-7.1,7.31,;-.43,-1.15,;.91,-.38,;-.43,-2.69,)|
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)CCCC2CCCC2)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2ccc(OC(F)(F)F)cc2)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2cnc(o2)C2CC2)c(F)c1
COc1ccc(nc1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(C)c1
CCn1cc(cn1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(C)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)CCC(C)(C)C)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2csc(n2)C(F)(F)F)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)CCOC(C)(C)C)c(F)c1
CC(C)(C)c1nnc(o1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)C1CC1
CC(C)(C)c1ccc(cn1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)C1CC1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)C1CC1
CC(C)(C)c1nc(no1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)C1CC1
CC(C)(C)c1noc(n1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)C1CC1
CC(C)(C)c1cc(no1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)C1CCNC(=O)C1
CC(C)(C)c1nc(no1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)C1CCNC(=O)C1
CC(C)(C)c1noc(n1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)C1CCNC(=O)C1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CO)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CN2CCOc3cc(cc(F)c3C2=O)C2CC2)c(F)c1
CN1CCN(Cc2ccc(nc2)-c2nc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1cc(F)cc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CN2CCOc3cc(cc(F)c3C2=O)C2CC2)cc1CO
CN(C)c1ccc(cc1)-c1nc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO
COc1ccc(nc1)-c1nc2c(ccnc2[nH]1)-c1ccc(CN2CCOc3cc(cc(F)c3C2=O)C2CC2)c(F)c1
CN(C)c1ccc(nc1)-c1nc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO
Cn1cc(cn1)-c1nc2nccc(-c3cccc(N4CCOc5cc(cc(F)c5C4=O)C4CC4)c3CO)c2[nH]1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1cccc(NC(=O)c2noc(n2)C(C)(C)C)c1CO
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1cccc(NC(=O)c2noc(n2)C2CC2)c1CO
CC(C)(C)c1nc(no1)C(=O)Nc1cccc(c1CO)-c1ccnc2[nH]c(nc12)-c1ccc(cc1)C(=O)N1CCOCC1
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1CO)-c1ccnc2[nH]c(nc12)-c1ccc(cc1)C(=O)N1CCOCC1
C[C@H]1CN(C[C@@H](C)O1)c1ccc(cc1)-c1nc2c(ccnc2[nH]1)-c1cccc(NC(=O)c2noc(n2)C(C)(C)C)c1CO |r|
CC(C)(C)c1nc(no1)C(=O)Nc1cccc(c1CO)-c1ccnc2[nH]c(nc12)-c1ccc(cc1)N1CCC(F)(F)CC1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1cccc(NC(=O)c2ccc(nc2)C2CC2)c1CO
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1cccc(NC(=O)c2cc3CCCCc3s2)c1CO
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(c(F)c1)C1(CC1)NC(=O)c1noc(n1)C(C)(C)C
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(c(F)c1)C1(CC1)NC(=O)N1CC(C1)OC(C)(C)C
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(cc1)C1(CC1)NC(=O)c1noc(n1)C(C)(C)C
CN(C)c1ccc(nc1)-c1nc2c(ccnc2[nH]1)-c1ccc(cc1)C1(CC1)NC(=O)c1ccc(cc1)C(C)(C)C
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)N2CC(C2)OC(C)(C)C)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2ccc(nc2)C2CC2)c(F)c1
CN(C)c1nc(no1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(C)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2noc(n2)C(C)(C)N)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2noc(n2)C2CC2)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)C2CC(C2)OC(C)(C)C)c(F)c1 |(5.17,-2.72,;3.93,-3.62,;2.46,-3.15,;1.56,-4.39,;2.46,-5.64,;3.93,-5.16,;.02,-4.39,;-.89,-3.15,;-2.35,-3.62,;-3.69,-2.85,;-5.02,-3.62,;-5.02,-5.16,;-3.69,-5.93,;-2.35,-5.16,;-.89,-5.64,;-3.69,-1.31,;-2.35,-.54,;-2.35,1,;-3.69,1.77,;-3.69,3.31,;-2.35,4.08,;-1.02,3.31,;-1.02,1.77,;.31,4.08,;1.8,3.68,;2.2,5.16,;.71,5.56,;3.53,5.93,;4.87,5.16,;6.2,5.93,;4.87,3.62,;6.35,4.77,;-5.02,1,;-6.35,1.77,;-5.02,-.54,)|
CC1CC2(C1)CN(C2)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(C)c1
COc1ccc(cc1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)c(F)c1
COc1ccc(cc1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2ccc(cc2)C2CC2)c(F)c1
COc1cccc(c1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2ccc(cc2)C2CC2)c(F)c1
COc1ccccc1-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)c(F)c1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1ccc(cc1)C1=CCNCC1 |t:41|
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2cc(on2)C(C)(C)C)c(F)c1
CC(C)(C)c1nc(no1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1ccc(cc1)C(=O)N1CCOCC1
CN1CCN(Cc2ccc(nc2)-c2nc3c(ccnc3[nH]2)-c2ccc(CNC(=O)c3noc(n3)C(C)(C)C)c(F)c2)CC1
CC(C)(C)c1nc(no1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(CCO)c1
CN1CCN(Cc2ccc(cc2)-c2nc3c(ccnc3[nH]2)-c2ccc(CNC(=O)c3noc(n3)C(C)(C)C)c(F)c2)CC1
CC(C)(C)c1nc(no1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(CCN)c1
COc1cccc(c1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2noc(n2)C(C)(C)C)c(F)c1
CC(C)(C)c1nc(no1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cccc(OC(F)(F)F)c1
COc1ccnc(c1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2noc(n2)C(C)(C)C)c(F)c1
CC(C)(C)c1nc(no1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1ccc(cn1)C(O)CO
Cc1cc(CNC(=O)c2noc(n2)C(C)(C)C)c(F)cc1-c1ccnc2[nH]c(nc12)-c1cnn(C)c1
COc1cccc(c1)-c1nc2c(ccnc2[nH]1)-c1cc(F)c(CNC(=O)c2noc(n2)C(C)(C)C)cc1C
CN1CCN(CC1)c1ccc(nc1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2noc(n2)C(C)(C)C)c(F)c1
CC(C)(C)c1nc(no1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1ccc(cn1)N1CCCC1
CC1CN(CC(C)O1)c1ccc(nc1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2noc(n2)C(C)(C)C)c(F)c1
CC(C)(C)c1nc(no1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1ccc(cn1)N1CCC(F)(F)CC1
CC(C)(C)c1nc(no1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1ccc(cn1)N1CCCCC1
CC(C)(C)c1nc(no1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1ccc(cn1)N1CCC(O)CC1
CN1CCC(=CC1)c1ccc(nc1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2noc(n2)C(C)(C)C)c(F)c1 |c:4|
CN1CCC(=CC1)c1ccc(cc1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2noc(n2)C(C)(C)C)c(F)c1 |c:4|
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1cccc(CNC(=O)c2noc(n2)C(C)(C)C)c1
Cc1c(CNC(=O)c2noc(n2)C(C)(C)C)cccc1-c1ccnc2[nH]c(nc12)-c1cnn(C)c1
CN(C)c1ccc(nc1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)c(F)c1
CN(C)c1ccc(nc1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)N2CC(C2)OC(C)(C)C)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1cccc(NC(=O)N2CC(C2)OC(C)(C)C)c1CO
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CN2Cc3cc(sc3C2=O)C(C)(C)C)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CN2Cc3cc(sc3C2=O)C2CC2)c(F)c1
Cc1ccc(cc1)-n1ccn(-c2cccc(c2C)-c2ccnc3[nH]c(nc23)-c2ccc(cc2)C(=O)N2CCOCC2)c1=O
Cc1ccc(cc1)-n1ccn(-c2cccc(c2CO)-c2ccnc3[nH]c(nc23)-c2ccc(cc2)C(=O)N2CCOCC2)c1=O
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(cc1)C1(CC1)NC(=O)c1nnc(o1)C(C)(C)C
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(cc1)C1(CC1)NC(=O)c1nc(no1)C(C)(C)C
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(Cn2ncc3cc(cc(F)c3c2=O)C(C)(C)C)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CN2CCc3cc(ccc3C2=O)C(C)(C)C)c(F)c1
Cc1cc(ccc1CNC(=O)C(N)=O)-c1ccnc2[nH]c(nc12)-c1cnn(C)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(c(F)c1)C(C)(C)NC(=O)C(N)=O
Cc1cc(ccc1CNC(=O)c1nnc(o1)C(C)(C)C)-c1ccnc2[nH]c(nc12)-c1cnn(C)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(c(F)c1)C(C)(C)NC(=O)c1nnc(o1)C(C)(C)C
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2nc(no2)C(C)(C)C)cc1CO
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(c(F)c1)C(C)(C)NC(=O)c1ccc(cc1)C(C)(C)C
Cc1cc(ccc1CNC(=O)c1ccc(cc1)C(C)(C)C)-c1ccnc2[nH]c(nc12)-c1cnn(C)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)c(c1)C(F)(F)F
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2nnc(o2)C(C)(C)C)cc1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2nnc(o2)C(C)(C)C)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2nc(no2)C(C)(C)C)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(cc1)C1(CC1)NC(=O)c1ccc(cc1)C(C)(C)C
CC(C)(O)CCN1Cc2cc(ccc2C1=O)-c1ccnc2[nH]c(nc12)-c1ccc(cc1)C(=O)N1CCOCC1
CC(C)(C)c1ccc2C(=O)N(Cc3ccc(cc3)-c3ccnc4[nH]c(nc34)-c3ccc(cc3)C(=O)N3CCOCC3)CCc2c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2noc(n2)C(C)(C)C)c(F)c1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1ccc(cc1)C(=O)N1CCOCC1
CC(C)(C)c1nc(no1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(CCN2CCOCC2)c1
CC(C)(C)c1nnc(o1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(CCN2CCOCC2)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(cc1)C1CCCN1C(=O)c1ccc(cc1)C(C)(C)C
Fc1cc(ccc1CNC(=O)c1nnc(o1)C1CCOCC1)-c1ccnc2[nH]c(nc12)-c1cnn(CCN2CCOCC2)c1
CC(C)(C)c1noc(n1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(c1)C1CCOCC1
CC(C)(C)c1nnc(s1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(c1)C1COC1
CC(C)(C)c1nnc(o1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(c1)C1CCOCC1
CC(C)(C)c1nc(no1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(c1)C1CCOCC1
CC(C)(C)c1nc(no1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(c1)C1COC1
CCn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2cc3CCCCc3s2)c(F)c1
CCn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2noc(n2)C(C)(C)C)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2cc3CCCCc3s2)c(F)c1
CCn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2cc(on2)C(C)(C)C)c(F)c1
CC(C)(C)c1nc(no1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)C1=CCNCC1 |t:33|
CCn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2nnc(o2)C(C)(C)C)c(F)c1
CC(C)(C)c1noc(n1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)C1=CCNCC1 |t:33|
CC(C)(C)OC(=O)N1CCC(=CC1)c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2noc(n2)C(C)(C)C)c(F)c1 |c:10|
CC(C)(C)c1nnc(o1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)C1=CCOCC1 |t:33|
CN1CCC(=CC1)c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2nnc(o2)C(C)(C)C)c(F)c1 |c:4|
CC(C)(C)c1nnc(o1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)C1=CCNCC1 |t:33|
CC(C)c1nnc(o1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)C1=CCNCC1 |t:32|
CN(C)C(=O)N1CCC(=CC1)c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2noc(n2)C(C)(C)C)c(F)c1 |c:8|
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2cc(no2)C(C)(C)C)c(F)c1
CN(C)c1ccc(cc1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2noc(n2)C(C)(C)C)c(F)c1
CN(C)c1ccc(nc1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2noc(n2)C(C)(C)C)c(F)c1
CN(C)c1ccc(nc1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2nc(no2)C(C)(C)C)c(F)c1
CC(C)(C)c1noc(n1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cccnc1
CC(C)(C)c1noc(n1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1ccncc1
COc1ncccc1-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2nc(no2)C(C)(C)C)c(F)c1
COc1cccnc1-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2nc(no2)C(C)(C)C)c(F)c1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1ccnc2[nH]c(nc12)-c1ccc(cc1)C(O)=O
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc2CN(CCc2c1)C(=O)c1nc(no1)C(C)(C)C
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc2CCN(Cc2c1)C(=O)c1nc(no1)C(C)(C)C
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc2CN(Cc2c1)C(=O)c1nc(no1)C(C)(C)C
CC(C)(C)c1noc(n1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1ccc(cn1)N1CCCCC1
COc1ccc(nc1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2nnc(o2)C(C)(C)C)c(F)c1
COc1ccnc(c1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2nc(no2)C(C)(C)C)c(F)c1
CC(C)(C)c1noc(n1)C(=O)NCc1ccc(cc1F)-c1ccnc2nc([nH]c12)-c1ccccc1NC(=O)C=C
COc1ccc(nc1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2nc(no2)C(C)(C)C)c(F)c1
CC(C)(C)c1noc(n1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1ccc(CN2CCOCC2)cn1
CC(C)(C)c1noc(n1)C(=O)NCc1ccc(cc1F)-c1ccnc2nc([nH]c12)-c1cccc(NC(=O)C=C)c1
CC(C)(C)c1noc(n1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1ccc(cn1)N1CCC(F)(F)CC1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2nc(no2)C2(C)CC2)c(F)c1
CC(C)(C)c1nc(no1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1ccc(cn1)N1CC[C@H](O)[C@@H](O)C1 |r|
CC(C)(C)c1nc(no1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1ccc(cn1)N1CCC(F)CC1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2ccc(cn2)C(C)(C)C)c(F)c1
CN1CCC(CC1)c1ccc(nc1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2noc(n2)C(C)(C)C)c(F)c1
Cc1cc(ccc1CN1CCOc2cc(cc(F)c2C1=O)C1CC1)-c1ccnc2[nH]c(nc12)-c1ccc(OCC(O)CO)cn1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CN2CCOc3cc(cc(F)c3C2=O)C2CC2)nc1
CN(C)c1ccc(nc1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2nnc(o2)C(C)(C)C)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNCc2cccnc2)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNCc2ccc(F)c(F)c2)c(F)c1
Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(C)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNS(C)(=O)=O)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNS(=O)(=O)CC2(CC#N)CC2)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNS(=O)(=O)CCC2CCC2)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNS(=O)(=O)CC2CCCS(=O)(=O)C2)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNCc2cccc(c2)C(C)(C)C)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNCc2ccc(cc2)C(C)(C)C)c(F)c1
CC(C)Cc1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2nc(no2)C(C)(C)C)c(F)c1
CC(C)c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2nc(no2)C(C)(C)C)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNc2nccc3N(CCOc23)C(=O)OC(C)(C)C)c(F)c1
CC(C)(C)c1noc(n1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)[C@@H]1C[C@H]1c1ccccc1 |r|
CC(C)(C)c1noc(n1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(CCN2CCOCC2)c1
NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(c1)C1CCC1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCC[C@H]5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)cnn1C(C)C
COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@H](C)NC(=O)C#CC)n2ccnc(N)c12 |r|
COc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@@H]2CCCN2C(=O)C#CC)n2ccnc(N)c12 |r|
COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@H](C)N(C)C(=O)C#CC)n2ccnc(N)c12 |r|
COc1cc(ccc1C(=O)Nc1nccs1)-c1nc([C@@H]2CCCN2C(=O)C#CC)n2ccnc(N)c12 |r|
COc1cc(ccc1C(=O)Nc1ccc(C)cn1)-c1nc([C@H](C)N(C)C(=O)C#CC)n2ccnc(N)c12 |r|
COc1cc(ccc1C(=O)Nc1ccc(C)cn1)-c1nc([C@@H]2CCCN2C(=O)C#CC)n2ccnc(N)c12 |r|
CC#CC(=O)N[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(C)cn2)c2c(N)nccn12 |r|
COc1cc(ccc1C(=O)Nc1ccc(C)cn1)-c1nc([C@H](C)NC(=O)C#CC)n2ccnc(N)c12 |r|
CC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(C)cn2)c2c(N)nccn12 |r|
CC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(C)cn2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(C)cn2)c2c(N)nccn12 |r|
CC#CC(=O)N[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@H](C)NC(=O)C#CC)n2ccnc(N)c12 |r|
COC\C=C\C(=O)N[C@@H](C)c1nc(-c2ccc(C(=O)Nc3ccc(C)cn3)c(OC)c2)c2c(N)nccn12 |r|
COc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@H](C)N(C)C(=O)C#CC)n2ccnc(N)c12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cscn2)c2c(N)nccn12 |r|
CCc1cc(-c2nc3c(-c4ccc5c(c4)CCCCC5NC(=O)c4nnc(C(C)(C)C)o4)ccnc3[nH]2)nn1C
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCCC4NC(=O)c3nc(C4(C)CC4)no3)ccnc2[nH]1
Cc1nn(C(C)C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1
Cn1cc(-c2nc3c(-c4ccc5c(c4)CCCCC5NC(=O)c4nnc(C(C)(C)C)o4)ccnc3[nH]2)cn1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4nc(C5(C)CC5)no4)ccnc3[nH]2)cnn1C(C)C
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCC5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)cnn1C1CCOCC1
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nc(C(C)(C)C)no3)ccnc2[nH]1
Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3cc(C(C)(C)C)on3)c2[nH]1
CC(C)n1cc(-c2nc3c(-c4ccc5c(c4)CCCCC5NC(=O)c4cc(C(C)(C)C)on4)ccnc3[nH]2)cn1
Cc1nn(C(C)C)cc1-c1nc2c(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nc(C(C)(C)C)no3)ccnc2[nH]1
Cn1ccc(-c2nc3c(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)n1
Cc1cc(-c2nc3c(-c4ccc5c(c4)CCCC5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)nn1C
Cc1c(-c2nc3c(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4noc(C(C)(C)C)n4)ccnc3[nH]2)cnn1C(C)C
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)OCCCC4NC(=O)c3noc(C(C)(C)C)n3)ccnc2[nH]1
Cc1nn(C(C)C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nnc(C(C)(C)C)o3)ccnc2[nH]1
Cc1nn(C(C)C)cc1-c1nc2c(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nc(C4(C)CC4)no3)ccnc2[nH]1
CC(C)n1cc(-c2nc3c(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)cn1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCC5NC(=O)c4noc(C5(C)CC5)n4)ccnc3[nH]2)cnn1C1CCOCC1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4nc(C5(C)CC5)no4)ccnc3[nH]2)cnn1C(C)C
Cc1nn(C(C)C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nc(C4(C)CC4)no3)c2[nH]1
CCc1cc(-c2nc3c(-c4ccc5c(c4)CCCC5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)nn1C
Cc1cc(-c2nc3c(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)nn1C
Cc1c(-c2nc3c(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4noc(C(C)(C)C)n4)ccnc3[nH]2)cnn1C1CCOCC1
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCCC4NC(=O)c3nc(C(C)(C)C)no3)ccnc2[nH]1
Cc1nn(C(C)C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCCC4NC(=O)c3noc(C(C)(C)C)n3)ccnc2[nH]1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCC5NC(=O)c4noc(C(C)(C)C)n4)ccnc3[nH]2)cnn1C1CCOCC1
CCc1cc(-c2nc3c(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)nn1C
Cc1c(cnn1C1CCOCC1)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@@H](CCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r|
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCCC5NC(=O)c4nnc(C(C)(C)C)o4)ccnc3[nH]2)cnn1C1CCOCC1
Cc1nn(C(C)C)cc1-c1nc2c(-c3ccc4c(c3)CCCCC4NC(=O)c3nnc(C(C)(C)C)o3)ccnc2[nH]1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCC5NC(=O)c4nc(C5(C)CC5)no4)ccnc3[nH]2)cnn1C1CCOCC1
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCCC4NC(=O)c3cc(C(C)C)no3)ccnc2[nH]1
Cc1nn(C(C)C)cc1-c1nc2c(-c3ccc4c(c3)CCCCC4NC(=O)c3noc(C(C)(C)C)n3)ccnc2[nH]1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@@H](CCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r|
CC(C)n1nc(C)c(c1C)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@@H](CCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r|
CCn1nc(C)c(-c2nc3c(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C5(C)CC5)no4)ccnc3[nH]2)c1C
Cc1nn(C)cc1-c1nc2c(-c3ccc4c(c3)CCCC4NC(=O)c3nc(C(C)(C)C)no3)ccnc2[nH]1
Cc1nn(C(C)C)cc1-c1nc2c(-c3ccc4c(c3)CCC[C@H]4NC(=O)c3nc(C(C)(C)C)no3)ccnc2[nH]1
CC(C)(C)c1noc(C(=O)NC2CCCCc3cc(-c4ccnc5[nH]c(-c6cnn(C7CCOCC7)c6)nc45)ccc32)n1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCC[C@H]5NC(=O)c4noc(C5(C)CC5)n4)ccnc3[nH]2)cnn1C1CCOCC1
Cc1nn(C(C)C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCCC4NC(=O)c3nc(C4(C)CC4)no3)ccnc2[nH]1
Cc1nn(C(C)C)cc1-c1nc2c(-c3ccc4c(c3)CCCCC4NC(=O)c3nc(C4(C)CC4)no3)ccnc2[nH]1
Cc1nn(C2CCOCC2)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCC4NC(=O)c3nc(C(C)(C)C)no3)ccnc2[nH]1
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)OCCC[C@@H]4NC(=O)c3nnc(C(C)(C)C)o3)ccnc2[nH]1
Cc1nn(C(C)C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCCC4NC(=O)c3nc(C(C)(C)C)no3)ccnc2[nH]1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)cnn1C(C)C
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCC5NC(=O)N4CC(OC(C)(C)C)C4)ccnc3[nH]2)cnn1C(C)C
Cc1cc(-c2nc3c(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C5(C)CC5)no4)ccnc3[nH]2)nn1C(C)C
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCC5NC(=O)N4CC(OC(C)(C)C)C4)ccnc3[nH]2)cnn1C1CCOCC1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCC[C@H]5NC(=O)c4noc(C(C)(C)C)n4)ccnc3[nH]2)cnn1C1CCOCC1
Cc1nn(C(C)C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCC4NC(=O)c3nc(C(C)(C)C)no3)ccnc2[nH]1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)cnn1C1CCOCC1
CC(C)n1ncc(c1C)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@H](CCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r|
CC(C)n1cc(c(C)n1)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@H](CCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r|
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCC5NC(=O)c4nc(C5(C)CC5)no4)ccnc3[nH]2)cnn1C(C)C
CC(C)(C)c1noc(n1)C(=O)NC1CCCc2cc(ccc12)-c1ccnc2[nH]c(nc12)-c1cnn(c1)C1CCOCC1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@H](CCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r|
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCC5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)cnn1C
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCCC4NC(=O)c3nnc(C(C)(C)C)o3)ccnc2[nH]1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCCC5NC(=O)c4nc(C5(C)CC5)no4)ccnc3[nH]2)cnn1C(C)C
CC(C)(C)n1cc(C(=O)N[C@@H]2CCCc3cc(-c4ccnc5[nH]c(-c6cnn(C7CCOCC7)c6)nc45)ccc32)nn1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCC[C@H]5NC(=O)c4noc(C(C)(C)C)n4)ccnc3[nH]2)cnn1C(C)C
Cc1nn(C(C)C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCC[C@@H]4NC(=O)c3nc(C(C)(C)C)no3)ccnc2[nH]1
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCC[C@@H]4NC(=O)c3nc(C(C)(C)C)no3)ccnc2[nH]1
Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4cc5c(s4)CCCC5)c3[nH]2)cnn1C(C)C
Cc1c(-c2nc3c(-c4ccc5c(c4)CCC[C@H]5NC(=O)c4nc(C5(C)CC5)no4)ccnc3[nH]2)cnn1C1CCOCC1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCC[C@H]5NC(=O)N4CC(OC(C)(C)C)C4)ccnc3[nH]2)cnn1C1CCOCC1
Cc1nn(C(C)C)cc1-c1nc2c(-c3ccc4c(c3)CCCCC4NC(=O)c3nc(C(C)(C)C)no3)ccnc2[nH]1
Cc1cc(-c2nc3c(-c4ccc5c(c4)CCCC5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)nn1C(C)C
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCCC4NC(=O)c3cc(C(C)(C)C)on3)ccnc2[nH]1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCC[C@@H]5NC(=O)N4CC(OC(C)(C)C)C4)ccnc3[nH]2)cnn1C(C)C
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)OCCCC4NC(=O)c3nnc(C(C)(C)C)o3)ccnc2[nH]1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCC[C@H]5NC(=O)c4nc(C5(C)CC5)no4)ccnc3[nH]2)cnn1C(C)C
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCC4NC(=O)c3nc(C(C)(C)C)no3)ccnc2[nH]1
Cn1cc(-c2nc3c(-c4ccc5c(c4)OCCC[C@@H]5NC(=O)c4noc(C(C)(C)C)n4)ccnc3[nH]2)cn1
Cn1cc(-c2nc3c(-c4ccc5c(c4)CCCC5NC(=O)c4nnc(C(C)(C)C)o4)ccnc3[nH]2)cn1
Cn1cc(-c2nc3c(-c4ccc5c(c4)OCCC[C@H]5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)cn1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCC[C@@H]5NC(=O)c4noc(C(C)(C)C)n4)ccnc3[nH]2)cnn1C(C)C
Cc1nn(C(C)C)cc1-c1nc2c(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3noc(C(C)(C)C)n3)ccnc2[nH]1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCC[C@@H]5NC(=O)N4CC(OC(C)(C)C)C4)ccnc3[nH]2)cnn1C1CCOCC1
CC(C)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cn1
Cc1nn(C(C)C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3noc(C(C)(C)C)n3)ccnc2[nH]1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCC[C@@H]5NC(=O)c4noc(C5(C)CC5)n4)ccnc3[nH]2)cnn1C(C)C
Cc1nn(C(C)C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3noc(C4(C)CC4)n3)ccnc2[nH]1
Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3cc(C(C)(C)C)on3)c2[nH]1
CCc1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4nnc(C(C)(C)C)o4)c3[nH]2)nn1C
Cc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3nnc(C(C)(C)C)o3)c2[nH]1
Cn1cc(-c2nc3c(-c4ccc5c(c4)CCCC[C@@H]5NC(=O)c4noc(C(C)(C)C)n4)ccnc3[nH]2)cn1
Cc1nn(C(C)C)cc1-c1nc2c(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3nc(C(C)(C)C)no3)ccnc2[nH]1
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3nnc(C(C)(C)C)o3)ccnc2[nH]1
Cc1nn(C(C)C)cc1-c1nc2c(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3nc(C4(C)CC4)no3)ccnc2[nH]1
CC(C)n1cc(-c2nc3c(-c4ccc5c(c4)CCCC[C@@H]5NC(=O)c4cc(C(C)(C)C)on4)ccnc3[nH]2)cn1
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3noc(C4(C)CC4)n3)ccnc2[nH]1
Cc1nn(C(C)C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3nc(C4(C)CC4)no3)ccnc2[nH]1
Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@@H]5NC(=O)c4nnc(C(C)(C)C)o4)c3[nH]2)cnn1C1CCOCC1
Cn1cc(-c2nc3c(-c4ccc5c(c4)CCCC[C@@H]5NC(=O)c4cc(C5(C)CC5)on4)ccnc3[nH]2)cn1
Cn1cc(-c2nc3c(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4nnc(C(C)(C)C)o4)ccnc3[nH]2)cn1
Cn1cc(-c2nc3c(-c4ccc5c(c4)CCCC[C@@H]5NC(=O)c4noc(C5(C)CC5)n4)ccnc3[nH]2)cn1
Cc1nn(C(C)C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3nnc(C(C)(C)C)o3)ccnc2[nH]1
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)OCCC[C@H]4NC(=O)c3noc(C(C)(C)C)n3)ccnc2[nH]1
Cn1cc(-c2nc3c(-c4ccc5c(c4)CCCC[C@H]5NC(=O)N4CC(OC(C)(C)C)C4)ccnc3[nH]2)cn1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCC[C@H]5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)cnn1C(C)C
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCC[C@@H]4NC(=O)c3nc(C(C)(C)C)no3)ccnc2[nH]1
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3noc(C(C)(C)C)n3)ccnc2[nH]1
Cc1nn(C)c(C)c1-c1nc2c(-c3ccc4c(c3)OCCC[C@H]4NC(=O)c3nnc(C(C)(C)C)o3)ccnc2[nH]1
Cc1c(-c2nc3c(-c4ccc5c(c4)CCCC[C@@H]5NC(=O)c4nc(C5(C)CC5)no4)ccnc3[nH]2)cnn1C(C)C
Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCC[C@@H]5NC(=O)c4cc5c(s4)CCCC5)c3[nH]2)cnn1C(C)C
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccc12)N1CCN(CC1)C1COC1 |w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccn12)N1CCN(CC1)C1COC1 |w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccc12)N1CCN(CC1)C1(C)COC1 |w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCN(CC1)C1(C)COC1 |w:3.2|
CC(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccc12 |w:4.3|
CN1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccc12 |w:10.10|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccc12)N1CCOCC1 |w:3.2|
CN1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccc12 |w:10.10|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccc12)N1CCN(CC1)C1COC1 |w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccc12)N1CCN(CC1)C1COC1 |w:3.2|
CC(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cc1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccn12 |w:4.3|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H]1Cc1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccn12)N1CCOCC1 |w:3.2|
CN(C1COC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cc1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccn12 |w:9.9|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H]1Cc1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccn12)N1CCN(CC1)C1COC1 |w:3.2|
CN1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccc12 |w:10.10|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccc12)N1CCOCC1 |w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccc12)N1CCOCC1 |w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccc12)C1CCN(CC1)C1COC1 |w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccc12)N1CCNC(=O)C1 |w:3.2|
Cc1cc(Oc2ccccc2)ccc1-c1nn([C@@H]2CCCN(C2)C(=O)C(=CC(C)(C)N2CCN(CC2)C2COC2)C#N)c2ccnc(N)c12 |w:26.29|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)c(F)c2)c2c(N)nccc12)N1CCN(CC1)C1COC1 |w:3.2|
Cc1cc(ccc1Oc1ccccc1)-c1nn([C@@H]2CCCN(C2)C(=O)C(=CC(C)(C)N2CCN(CC2)C2COC2)C#N)c2ccnc(N)c12 |w:26.29|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3c(F)cccc3F)cc2)c2c(N)nccc12)N1CCN(CC1)C1COC1 |w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(F)c3F)cc2)c2c(N)nccc12)N1CCN(CC1)C1COC1 |w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccc12)N1CCN(CC1)C1COC1 |w:3.2|
CCN1CCN(CC1=O)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccc12 |w:12.12|
CN1CCN(CC1=O)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccc12 |w:11.11|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccc12)C1(C)CCN(CC1)C1COC1 |w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12)N1CCN(CC1)C1COC1 |w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12)N1CCN(CC1)C1COC1 |w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12)N1CCN(CC1)C1(C)COC1 |w:3.2|
CCN1CCN(CC1=O)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccc12 |w:12.12|
CCN1CCN(CC1=O)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12 |w:12.12|
CC1(CCN(CC1)C1COC1)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12 |w:11.12|
CC1(CCOCC1)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12 |w:7.7|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3F)cc2)c2c(N)nccc12)N1CCN(CC1)C1COC1 |w:3.2|
CN1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccc12 |w:10.10|
CN(C1COC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccc12 |w:9.9|
CC1(CCOCC1)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccc12 |w:7.7|
CC1(CCN(CC1)C1COC1)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccc12 |w:11.12|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccc12)N1CCN(CC1)C1COC1 |w:3.2|
CN1CCN(CC1=O)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccn12 |w:11.11|
CN1CCN(CC1=O)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12 |w:11.11|
CC1(CCOCC1)C=C(C#N)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccn12 |w:7.7|
CC1(CCOCC1)C=C(C#N)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12 |w:7.7|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccn12)N1CCN(CC1)C1(C)COC1 |w:3.2|
COC(=O)N1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12 |w:13.13|
CC(=O)N1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12 |w:12.12|
COC(=O)N1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccn12 |w:13.13|
CC(=O)N1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccn12 |w:12.12|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccn12)N1CCN2[C@@H](CCC2=O)C1 |w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccn12)N1CCN2[C@H](CCC2=O)C1 |w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12)N1CCN2[C@@H](CCC2=O)C1 |w:3.2|
CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12)N1CCN2[C@H](CCC2=O)C1 |w:3.2|
CN1CCN(C[C@@H]1c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12)C(=O)C(=CC(C)(C)C)C#N |w:33.38|
CN1CCN(C[C@@H]1c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12)C(=O)C(=CC1(C)CCOCC1)C#N |w:33.38|
CN1CCN(CC1=O)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)nccc12 |w:11.11|
COCCOc1ccc(Nc2nc(NC3CCCN(C3)C(=O)C=C)c(F)c3CNC(=O)c23)cc1
COCCOc1ccc(Nc2nc(NC3CCCCN(C3)C(=O)C=C)c(F)c3CNC(=O)c23)cc1
COCCOc1ccc(Nc2nc(NC3CCCN(CC3)C(=O)C=C)c(F)c3CNC(=O)c23)cc1
COCCOc1ccc(Nc2nc(NC3CN(C3)C(=O)C=C)c(F)c3CNC(=O)c23)cc1
Cn1cc(cn1)-c1nc(NC2CCCN(C2)C(=O)C=C)c(F)c2CNC(=O)c12
COCCOc1ccc(Nc2nc(NC3CCN(C3)C(=O)C=C)c(F)c3CNC(=O)c23)cc1
Fc1c2CNC(=O)c2c(Nc2cnn(c2)C2CCOCC2)nc1NC1CCCN(C1)C(=O)C=C
CN1CCN(CC1)c1ccc(Nc2nc(NC3CCCN(C3)C(=O)C=C)c(F)c3CNC(=O)c23)cc1
CN1CCN(CC1)c1ccc(Nc2nc(NC3CCCN(C3)C(=O)C=C)c(F)c3CNC(=O)c23)nc1
Fc1c2CNC(=O)c2c(Nc2cnn(c2)C2CCS(=O)(=O)CC2)nc1NC1CCCN(C1)C(=O)C=C
Fc1c2CNC(=O)c2c(Nc2ccc(cc2)N2CCOCC2)nc1NC1CCCN(C1)C(=O)C=C
CN1CC(F)C(C1)n1cc(Nc2nc(NC3CCCN(C3)C(=O)C=C)c(F)c3CNC(=O)c23)cn1
OCCOc1ccc(Nc2nc(NC3CCCN(C3)C(=O)C=C)c(F)c3CNC(=O)c23)cc1
Fc1c2CNC(=O)c2c(Nc2ccc(cc2)N2CCOCC2=O)nc1NC1CCCN(C1)C(=O)C=C
CN1CCN(CC1)c1ccc(Nc2nc(NC3CCCN(C3)C(=O)C=C)c(F)c3CNC(=O)c23)cn1
CC1(C)CN(CCC1O)c1ccc(Nc2nc(NC3CCCN(C3)C(=O)C=C)c(F)c3CNC(=O)c23)nc1
CC1CN(CCN1c1ccc(Nc2nc(NC3CCCN(C3)C(=O)C=C)c(F)c3CNC(=O)c23)nc1)C1COC1
Cc1cc(Nc2nc(NC3CCCN(C3)C(=O)C=C)c(F)c3CNC(=O)c23)sn1
Fc1c2CNC(=O)c2c(Nc2ccc(cc2)C(=O)N2CCOCC2)nc1NC1CCCN(C1)C(=O)C=C
Cn1cc(Nc2nc(NC3CCCN(C3)C(=O)C=C)c(F)c3CNC(=O)c23)cn1
CC1CCC(CN1C(=O)C=C)Nc1nc(-c2cnn(C)c2)c2C(=O)NCc2c1F
Fc1c2CNC(=O)c2c(Nc2ccc(cc2)N2CCOCC2)nc1NC1CCCCN(C1)C(=O)C=C
CC1CCC(CN1C(=O)C=C)Nc1nc(Nc2ccc(cc2)N2CCOCC2)c2C(=O)NCc2c1F
CC1CCC(CN1C(=O)C=C)Nc1nc(Nc2ccc(cc2F)N2CCOCC2)c2C(=O)NCc2c1F
CC1CCC(CN1C(=O)C=C)Nc1nc(Nc2ccc(cc2)N2CCOCC2C)c2C(=O)NCc2c1F
CC1CCC(CN1C(=O)C=C)Nc1nc(Nc2ccc(N3CCOCC3)c(F)c2)c2C(=O)NCc2c1F
CC1CCC(CN1C(=O)C=C)Nc1nc(Nc2ccc(cc2)N2CCN(CC2C)C2COC2)c2C(=O)NCc2c1F
CC1CCC(CN1C(=O)C=C)Nc1nc(Nc2cccc(c2)N2CCOCC2)c2C(=O)NCc2c1F
CC1CC[C@H](CN1C(=O)C=C)Nc1nc(Nc2cnn(C)c2)c2C(=O)NCc2c1F |r|
CC1CCC(CN1C(=O)C=C)Nc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)c2C(=O)NCc2c1F
CC1CCC(CN1C(=O)C=C)Nc1nc(Nc2ccc(N3CCOCC3C)c(F)c2)c2C(=O)NCc2c1F
C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1nc(-c2cnn(C)c2)c2C(=O)NCc2c1F |r|
Fc1c2CNC(=O)c2c(nc1NC1CCCN(C1)C(=O)C=C)-c1cnn(c1)C1CC1
Cn1cc(cn1)-c1nc(NC2CCCCN(C2)C(=O)C=C)c(F)c2CNC(=O)c12
Cc1ncc(s1)-c1nc(NC2CCCN(C2)C(=O)C=C)c(F)c2CNC(=O)c12
Cn1cc(cn1)-c1nc(NC2CCCN(C2)C(=O)C=C)nc2CNC(=O)c12
Cn1cc(Nc2nc(NC3CCCN(C3)C(=O)C=C)nc3CNC(=O)c23)cn1
CN(C1CCCN(C1)C(=O)C=C)c1nc(-c2cnn(C)c2)c2C(=O)NCc2c1F
CN(C1CCCN(C1)C(=O)C#C)c1nc(-c2cnn(C)c2)c2C(=O)NCc2c1F
CN(C1CCCN(C1)C(=O)C=C)c1nc(-c2cnn(c2)C(F)F)c2C(=O)NCc2c1F
CN(C1CCCN(C1)C(=O)C=C)c1nc(-c2cnn(CCN3CCOCC3)c2)c2C(=O)NCc2c1F
CC1CCC(CN1C(=O)C=C)N(C)c1nc(-c2cnn(C)c2)c2C(=O)NCc2c1F
CN(C1CCCN(C1)C(=O)C=C)c1nc(-c2cnc(C)s2)c2C(=O)NCc2c1F
CN(C1CCCN(C1)C(=O)C=C)c1nc(Nc2cnn(C)c2)c2C(=O)NCc2c1F
CN(C1CCCN(C1)C(=O)C=C)c1nc(Nc2ccc(cc2)N2CCOCC2)c2C(=O)NCc2c1F
CN(C1CCCN(C1)C(=O)C=C)c1nc(Nc2cc(C)ns2)c2C(=O)NCc2c1F
CN(C1CCCCN(C1)C(=O)C=C)c1nc(Nc2ccc(cc2)N2CCOCC2)c2C(=O)NCc2c1F
CCN(C1CCCN(C1)C(=O)C=C)c1nc(Nc2ccc(cc2)N2CCOCC2)c2C(=O)NCc2c1F
CN(C1CCCN(C1)C(=O)C=C)c1nc2CNC(=O)c2c(Nc2cnn(C)c2)n1
Cn1cc(Nc2nc(N3CC4CN(CC4C3)C(=O)C=C)c(F)c3CNC(=O)c23)cn1
Cn1cc(cn1)-c1nc(N2CCC3(CCN(C3)C(=O)C=C)C2)c(F)c2CNC(=O)c12
Cn1cc(Nc2nc(N3CCC4CN(CC34)C(=O)C=C)c(F)c3CNC(=O)c23)cn1
Cn1cc(Nc2nc(N3CC(C3)NC(=O)C=C)c(F)c3CNC(=O)c23)cn1
FC1CN(CC1NC(=O)C=C)c1nc(Nc2ccc(cc2)N2CCOCC2)c2C(=O)NCc2c1F
Cn1cc(Nc2nc(N3CC4CCN(C4C3)C(=O)C=C)c(F)c3CNC(=O)c23)cn1
CN(C1CCN(C1)c1nc(Nc2cnn(C)c2)c2C(=O)NCc2c1F)C(=O)C=C
Cn1cc(cn1)-c1nc(N2CC3CN(CC3C2)C(=O)C=C)c(F)c2CNC(=O)c12
C[C@H]1CN(CCN1c1ccc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c(F)c3CNC(=O)c23)cc1F)C1COC1 |r|
C[C@H]1CC[C@H](CN1C(=O)C=C)N(C)c1nc(Nc2ccc(N3CCOCC3)c(F)c2)c2C(=O)NCc2c1F |r|
CN([C@@H]1CCCN(C1)C(=O)C=C)c1nc(-c2cnc(C)s2)c2C(=O)NCc2c1F |r|
C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1nc(Nc2ccc(N3CCN(C[C@@H]3C)C3COC3)c(F)c2)c2C(=O)NCc2c1F |r|
Fc1c2CNC(=O)c2c(Nc2ccc(CN3CCOCC3)cc2)nc1N[C@@H]1CCCN(C1)C(=O)C=C |r|
C[C@@H]1CC[C@H](CN1C(=O)C=C)N(C)c1nc(-c2cnn(C)c2)c2C(=O)NCc2c1F |r|
C[C@H]1COCCN1c1ccc(Nc2nc(N[C@@H]3CCCN(C3)C(=O)C=C)c(F)c3CNC(=O)c23)c(F)c1 |r|
CN([C@@H]1CCCN(C1)C(=O)C=C)c1nc(-c2c[nH]c(C)n2)c2C(=O)NCc2c1F |r|
C=CC(=O)N1CCC[C@H](C1)Nc1cc2CNC(=O)c2c(Nc2ccc(cc2)N2CCOCC2)n1 |r|
C[C@H]1[C@H](CCCN1C(=O)C=C)Nc1nc(-c2cnn(C)c2)c2C(=O)NCc2c1F |r|
Cn1cc(cn1)-c1nc(N[C@@H]2CCCN(C2)C(=O)C=C)c(F)c2CNC(=O)c12 |r|
CN([C@H]1CCCN(C1)C(=O)C=C)c1nc(-c2cnn(C)c2)c2C(=O)NCc2c1F |r|
CN([C@@H]1CCCN(C1)C(=O)C=C)c1nc(-c2cnn(C)c2)c2C(=O)NCc2c1F |r|
Fc1c2CNC(=O)c2c(Nc2ccc(cc2)N2CCOCC2)nc1N[C@H]1CCCN(C1)C(=O)C=C |r|
COCCOc1ccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)c(F)c3C(C)NC(=O)c23)cc1
COCCOc1ccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)nc3CNC(=O)c23)cc1
COCCOc1ccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)c(F)c3CNC(=O)c23)cc1
CC(O)CN1CCN(CC1)c1ccc(NC2c3cn(Nc4cccc(NC(=O)C=C)c4)c(F)c3NCC2=O)cc1
COCCOc1ccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)c(F)c3c2C(=O)NC3(C)C)cc1
C=CC(=O)Nc1cccc(Nc2nc3CNC(=O)c3c(Nc3ccccc3)n2)c1
C=CC(=O)Nc1cccc(Nc2nc3CNC(=O)c3c(Nc3cnn(c3)C3CCOCC3)n2)c1
Cn1cc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)nc3CNC(=O)c23)cn1
CC(C)(O)Cn1cc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)nc3CNC(=O)c23)cn1
COCCOc1ccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)cc3CNC(=O)c23)cc1
Cn1cc(cn1)-c1nc(Nc2cccc(NC(=O)C=C)c2)nc2CNC(=O)c12
COCCOc1ccc(Oc2nc(Nc3cccc(NC(=O)C=C)c3)nc3CNC(=O)c23)cc1
C=CC(=O)Nc1cccc(Nc2nc3CNC(=O)c3c(Nc3cnn(c3)C3CC3)n2)c1
COCCn1cc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)nc3CNC(=O)c23)cn1
C=CC(=O)Nc1cccc(Nc2nc3CNC(=O)c3c(Nc3ccc(cc3)N3CCOCC3)n2)c1
C[C@@H]1CN(CCN1c1ccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)nc3CNC(=O)c23)cc1)C1COC1 |r|
COCCOc1ccc(cc1)N(C)c1nc(Nc2cccc(NC(=O)C=C)c2)nc2CNC(=O)c12
Nc1ncnc2c(cn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2c(cn(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C |r|
Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
C=CC(=O)N1CCC(C1)c1cc(cc2cncnc12)-c1ccccc1
Cc1ccc(cn1)-c1cc(-c2cccc(NC(=O)C=C)c2)c2ncncc2c1
FC(F)(F)c1cccc(Nc2cccc(c2)-c2cc(C3CCCN(C3)C(=O)C=C)c3ncncc3c2)c1
C=CC(=O)N1CCC(C1)c1cc(cc2cncnc12)-c1ccc(Oc2ccccc2)nc1
FC(F)(F)c1cccc(NC(=O)c2ccc(cn2)-c2cc(-c3cccc(NC(=O)C=C)c3)c3ncncc3c2)c1
Cc1ccc(cn1)-c1cc(C2CCCN(C2)C(=O)C=C)c2nc(N)ncc2c1
Nc1ncc2cc(cc(C3CCCN(C3)C(=O)C=C)c2n1)-c1cccnc1
Nc1ncnc2c(cc(cc12)-c1ccccc1)C1CCCN(C1)C(=O)C=C
C=CC(=O)N1CCC(C1)c1ccc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2cncnc12
Nc1ncnc2c(ccc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCN(C1)C(=O)C=C
C=CC(=O)N1CCC(C1)c1cc(-c2ccc(cc2)C(=O)Nc2ccccn2)n2cnccc12
C=CC(=O)Nc1cccc(c1)-c1cc(-c2ccc(Oc3ccccc3)cc2)n2cnccc12
Nc1ncc2nc(-c3ccccc3)n(-c3cccc(NC(=O)C=C)c3)c2n1
Nc1ncc2nc(-c3ccccc3Cl)n(C3CCN(C3)C(=O)C=C)c2n1
Nc1ncc2nc(-c3ccccc3)n(C3CCN(C3)C(=O)C=C)c2n1
Fc1ccccc1-c1nc2cncnc2n1C1CCN(C1)C(=O)C=C
Fc1cc(Oc2cc(ccn2)C(F)(F)F)ccc1-c1cc(C2CCN(C2)C(=O)C=C)c2ncncc2c1
C=CC(=O)Nc1cccc(c1)-c1cc(cc2cncnc12)-c1ccc(nc1)C(=O)N1CCCC1
Nc1c(cc(-c2cccc(NC(=O)C=C)c2)c2ncncc12)-c1ccc(cc1F)C(=O)Nc1cc(ccn1)C1CC1
COc1cc(ccc1Oc1ccccn1)-c1nc(C2CCN(C2)C(=O)C#CC)c2ccnc(N)n12
COc1cc(ccc1Oc1cc(ccn1)C(F)(F)F)-c1nc(C2CCN(C2)C(=O)C#CC)c2ccnc(N)n12
Nc1nccc2c(nc(-c3ccc(Oc4ncccc4C(F)(F)F)c(F)c3)n12)C1CCN(C1)C(=O)C=C
Nc1nccc2c(nc(-c3ccc(ONc4ccccn4)c(F)c3)n12)C1CCN(C1)C(=O)C=C
Nc1nccc2c(nc(-c3ccc(cc3C(F)(F)F)C(=O)Nc3ccccn3)n12)C1CCN(C1)C(=O)C=C
CC#CC(=O)N1CCC(C1)c1nc(-c2ccc(cc2C(F)(F)F)C(=O)Nc2ccccn2)n2c(N)nccc12
FC1CNCCC1Nc1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CC[C@@H](CC4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:28.33,wD:25.26,(-2.93,3.85,;-4.26,3.08,;-5.6,3.85,;-6.93,3.08,;-8.26,3.85,;-9.6,3.08,;-10.93,3.85,;-12.27,3.08,;-12.27,1.54,;-10.93,.77,;-9.6,1.54,;-6.93,1.54,;-5.6,.77,;-4.26,1.54,;-2.93,.77,;-2.93,-.77,;-4.26,-1.54,;-4.26,-3.08,;-2.93,-3.85,;-1.6,-3.08,;-.13,-3.56,;.77,-2.13,;2.31,-2.12,;3.14,-3.42,;3.03,-.75,;4.57,-.75,;5.34,-2.09,;6.88,-2.09,;7.65,-.75,;6.88,.58,;5.34,.58,;9.19,-.75,;9.96,.58,;9.19,1.92,;11.5,.58,;12.27,-.75,;-.26,-.77,;-.26,.77,;-1.6,1.54,;-1.6,3.08,;-1.6,-1.54,)|
CN(C)[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.8,3.2,(6.25,2.38,;7.74,1.98,;8.83,3.07,;8.14,.49,;9.6,.02,;9.6,-1.52,;8.14,-2,;7.23,-.75,;5.69,-.75,;4.98,-2.12,;5.8,-3.42,;3.44,-2.13,;2.53,-3.56,;1.07,-3.08,;-.26,-3.85,;-1.6,-3.08,;-1.6,-1.54,;-.26,-.77,;-.26,.77,;-1.6,1.54,;-2.93,.77,;-4.27,1.54,;-4.27,3.08,;-5.6,3.85,;-6.93,3.08,;-8.27,3.85,;-9.6,3.08,;-9.6,1.54,;-8.27,.77,;-6.93,1.54,;-2.93,3.85,;-1.6,3.08,;-.26,3.85,;1.07,1.54,;1.07,3.08,;2.4,.77,;2.4,-.77,;1.07,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCC[C@@H]4NC=O)c([nH]c1=O)c23 |r,wU:25.26,wD:30.33,(-.72,4.79,;-2.05,4.02,;-3.38,4.79,;-4.72,4.02,;-6.05,4.79,;-7.38,4.02,;-8.72,4.79,;-10.05,4.02,;-10.05,2.48,;-8.72,1.71,;-7.38,2.48,;-4.72,2.48,;-3.38,1.71,;-2.05,2.48,;-.72,1.71,;-.72,.17,;-2.05,-.6,;-2.05,-2.14,;-.72,-2.91,;.62,-2.14,;1.95,-2.91,;2.99,-1.37,;4.53,-1.37,;5.3,-2.7,;5.3,-.04,;6.78,.36,;7.18,1.85,;8.67,2.25,;9.76,1.16,;9.36,-.33,;7.87,-.73,;7.48,-2.21,;8.56,-3.3,;8.17,-4.79,;1.95,.17,;1.95,1.71,;.62,2.48,;.62,4.02,;.62,-.6,)|
C=CC(=O)N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CN(C)CC(=O)N[C@@H]1CCCC1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.6,(9.39,-5.41,;9.79,-3.93,;11.27,-3.53,;8.7,-2.84,;7.21,-3.24,;6.81,-4.72,;6.12,-2.15,;6.52,-.66,;7.98,-.18,;7.98,1.36,;6.52,1.83,;5.61,.59,;4.07,.59,;3.3,-.75,;4.07,-2.08,;1.76,-.75,;.73,-2.29,;-.6,-1.52,;-1.94,-2.29,;-3.27,-1.52,;-3.27,.02,;-1.94,.79,;-1.94,2.33,;-3.27,3.1,;-4.61,2.33,;-5.94,3.1,;-5.94,4.64,;-7.27,5.41,;-8.61,4.64,;-9.94,5.41,;-11.27,4.64,;-11.27,3.1,;-9.94,2.33,;-8.61,3.1,;-4.61,5.41,;-3.27,4.64,;-1.94,5.41,;-.6,3.1,;-.6,4.64,;.73,2.33,;.73,.79,;-.6,.02,)|
C=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)CCCl)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-4.61,.45,;-4.61,1.99,;-5.94,2.76,;-5.94,4.3,;-7.27,5.07,;-8.61,4.3,;-9.94,5.07,;-11.27,4.3,;-11.27,2.76,;-9.94,1.99,;-8.61,2.76,;-4.61,5.07,;-3.27,4.3,;-3.27,2.76,;-1.94,1.99,;-1.94,.45,;-3.27,-.32,;-3.27,-1.86,;-1.94,-2.63,;-.6,-1.86,;.86,-2.34,;1.76,-1.09,;3.3,-1.09,;4.08,-2.43,;4.08,.24,;5.62,.24,;6.52,1.49,;7.98,1.01,;7.98,-.53,;6.52,-1,;6.12,-2.49,;7.21,-3.58,;6.81,-5.07,;8.7,-3.18,;9.79,-4.27,;11.27,-3.87,;.73,.45,;.73,1.99,;-.6,2.76,;-.6,4.3,;-.6,-.32,)|
C=CC(=O)N[C@@H]1CCC[C@@H](CC(=O)c2sc3nccc4n(-c5ccc(Oc6ccccc6)cn5)c(=O)[nH]c2c34)C1 |r|
O[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CC(C)c1cncc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@H]4NC(=O)C=C)c([nH]c1=O)c23 |r|
CC(=O)N[C@H]1CCCC1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4C)c(=O)[nH]c1c23 |r,wD:4.3,(9.99,-4.52,;8.5,-4.91,;8.1,-6.4,;7.41,-3.83,;7.81,-2.34,;9.27,-1.86,;9.27,-.32,;7.81,.15,;6.9,-1.09,;5.36,-1.09,;4.59,.24,;5.36,1.58,;3.05,.24,;2.15,-1,;.68,-.53,;-.65,-1.3,;-1.98,-.53,;-1.98,1.01,;-.65,1.78,;-.65,3.32,;-1.98,4.09,;-3.32,3.32,;-4.65,4.09,;-4.65,5.63,;-5.99,6.4,;-7.32,5.63,;-8.65,6.4,;-9.99,5.63,;-9.99,4.09,;-8.65,3.32,;-7.32,4.09,;-3.32,6.4,;-1.98,5.63,;-.65,6.4,;.68,4.09,;.68,5.63,;2.02,3.32,;2.02,1.78,;.68,1.01,)|
CC(C)COc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCCC4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:23.23,(-9.98,4.87,;-8.65,5.64,;-8.65,7.18,;-7.32,4.87,;-5.98,5.64,;-4.65,4.87,;-3.32,5.64,;-1.98,4.87,;-.65,5.64,;-1.98,3.33,;-3.32,2.56,;-4.65,3.33,;-.65,2.56,;-.65,1.02,;-1.98,.25,;-1.98,-1.29,;-.65,-2.06,;.68,-1.29,;2.15,-1.76,;3.05,-.52,;4.59,-.52,;5.36,.82,;5.36,-1.85,;6.9,-1.85,;7.67,-.52,;9.21,-.52,;9.98,-1.85,;9.21,-3.18,;7.67,-3.18,;6.9,-4.52,;7.67,-5.85,;6.9,-7.18,;9.21,-5.85,;9.98,-4.52,;2.02,1.02,;2.02,2.56,;.68,3.33,;.68,4.87,;.68,.25,)|
CC(C)Cc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,27.29,(-9.32,6.41,;-7.98,5.64,;-7.98,4.1,;-6.65,6.41,;-5.32,5.64,;-5.32,4.1,;-3.98,3.33,;-3.98,1.79,;-2.65,4.1,;-2.65,5.64,;-3.98,6.41,;-1.32,3.33,;-1.32,1.79,;-2.65,1.02,;-2.65,-.52,;-1.32,-1.29,;.02,-.52,;1.35,-1.29,;2.39,.25,;3.93,.25,;4.7,1.59,;4.7,-1.08,;6.24,-1.08,;7.01,.25,;8.55,.25,;9.32,-1.08,;8.55,-2.41,;7.01,-2.41,;6.24,-3.75,;7.01,-5.08,;6.24,-6.41,;8.55,-5.08,;9.32,-6.41,;1.35,1.79,;1.35,3.33,;.02,4.1,;.02,5.64,;.02,1.02,)|
CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1sc2cccc3n(-c4ccc(Oc5ccccc5)nc4C)c(=O)[nH]c1c23 |r,wU:10.11,wD:5.4,(5.84,5.77,;5.44,4.28,;6.53,3.19,;8.02,3.59,;6.13,1.7,;7.22,.61,;8.71,1.01,;9.8,-.08,;9.4,-1.56,;7.91,-1.96,;6.82,-.87,;5.34,-1.27,;4.94,-2.76,;6.03,-3.85,;3.45,-3.16,;2.98,-4.62,;1.44,-4.62,;.4,-5.77,;-1.1,-5.45,;-1.58,-3.98,;-.55,-2.84,;-.46,-1,;-1.8,-.23,;-3.13,-1,;-4.47,-.23,;-4.47,1.31,;-5.8,2.08,;-7.13,1.31,;-8.47,2.08,;-9.8,1.31,;-9.8,-.23,;-8.47,-1,;-7.13,-.23,;-3.13,2.08,;-1.8,1.31,;-.46,2.08,;.78,-.09,;.38,1.39,;2.19,-.72,;2.21,-2.25,;.96,-3.16,)|
CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:22.22,wD:27.29,(-9.32,3.6,;-7.98,2.83,;-7.98,1.29,;-6.65,3.6,;-5.32,2.83,;-3.98,3.6,;-2.65,2.83,;-1.32,3.6,;-2.65,1.29,;-3.98,.52,;-5.32,1.29,;-1.32,.52,;-1.32,-1.02,;-2.65,-1.79,;-2.65,-3.33,;-1.32,-4.1,;.02,-3.33,;1.35,-4.1,;2.39,-2.56,;3.93,-2.56,;4.7,-3.9,;4.7,-1.23,;6.24,-1.23,;7.01,-2.56,;8.55,-2.56,;9.32,-1.23,;8.55,.1,;7.01,.1,;6.24,1.44,;7.01,2.77,;6.24,4.1,;8.55,2.77,;9.32,4.1,;1.35,-1.02,;1.35,.52,;.02,1.29,;.02,2.83,;.02,-1.79,)|
CC(=O)N[C@@H]1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:8.10,4.3,(11.14,.36,;10.37,1.69,;11.14,3.02,;8.83,1.69,;8.06,.36,;8.83,-.98,;8.06,-2.31,;6.52,-2.31,;5.75,-.98,;6.52,.36,;4.21,-.98,;3.44,-2.31,;4.21,-3.64,;1.9,-2.31,;.86,-3.85,;-.47,-3.08,;-1.8,-3.85,;-3.14,-3.08,;-3.14,-1.54,;-1.8,-.77,;-1.8,.77,;-3.14,1.54,;-4.47,.77,;-5.81,1.54,;-5.81,3.08,;-7.14,3.85,;-8.47,3.08,;-8.47,1.54,;-9.81,.77,;-11.14,1.54,;-11.14,3.08,;-9.81,3.85,;-4.47,3.85,;-3.14,3.08,;-1.8,3.85,;-.47,1.54,;-.47,3.08,;.86,.77,;.86,-.77,;-.47,-1.54,)|
CC(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:8.10,wD:4.3,(11.14,.36,;10.37,1.69,;11.14,3.02,;8.83,1.69,;8.06,.36,;8.83,-.98,;8.06,-2.31,;6.52,-2.31,;5.75,-.98,;6.52,.36,;4.21,-.98,;3.44,-2.31,;4.21,-3.64,;1.9,-2.31,;.99,-3.56,;-.47,-3.08,;-1.8,-3.85,;-3.14,-3.08,;-3.14,-1.54,;-1.8,-.77,;-1.8,.77,;-3.14,1.54,;-4.47,.77,;-5.8,1.54,;-5.8,3.08,;-7.14,3.85,;-8.47,3.08,;-9.81,3.85,;-11.14,3.08,;-11.14,1.54,;-9.81,.77,;-8.47,1.54,;-4.47,3.85,;-3.14,3.08,;-1.8,3.85,;-.47,1.54,;-.47,3.08,;.86,.77,;.86,-.77,;-.47,-1.54,)|
CCC(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:9.11,wD:5.4,(11.91,.36,;10.37,.36,;9.6,1.69,;10.37,3.02,;8.06,1.69,;7.29,.36,;8.06,-.98,;7.29,-2.31,;5.75,-2.31,;4.98,-.98,;5.75,.36,;3.44,-.98,;2.67,-2.31,;3.44,-3.64,;1.13,-2.31,;.22,-3.56,;-1.24,-3.08,;-2.57,-3.85,;-3.91,-3.08,;-3.91,-1.54,;-2.57,-.77,;-2.57,.77,;-3.91,1.54,;-5.24,.77,;-6.57,1.54,;-6.57,3.08,;-7.91,3.85,;-9.24,3.08,;-10.58,3.85,;-11.91,3.08,;-11.91,1.54,;-10.58,.77,;-9.24,1.54,;-5.24,3.85,;-3.91,3.08,;-2.57,3.85,;-1.24,1.54,;-1.24,3.08,;.09,.77,;.09,-.77,;-1.24,-1.54,)|
CC(C)Cc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)\C=C\CNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)c([nH]c1=O)c23 |r,wD:22.22,26.28,62.63,70.71,65.67,(-28.27,.97,;-26.93,.2,;-26.93,-1.34,;-25.6,.97,;-24.27,.2,;-22.93,.97,;-21.6,.2,;-20.27,.97,;-21.6,-1.34,;-22.93,-2.11,;-24.27,-1.34,;-20.27,-2.11,;-20.27,-3.65,;-21.6,-4.42,;-21.6,-5.96,;-20.27,-6.73,;-18.93,-5.96,;-17.47,-6.43,;-16.56,-5.19,;-15.02,-5.18,;-14.21,-3.88,;-14.3,-6.55,;-12.76,-6.65,;-11.86,-5.41,;-10.39,-5.88,;-10.4,-7.42,;-11.86,-7.9,;-12.67,-9.22,;-11.9,-10.55,;-12.67,-11.89,;-10.36,-10.55,;-9.59,-9.22,;-8.05,-9.22,;-7.28,-7.89,;-5.74,-7.89,;-4.97,-9.22,;-4.97,-6.55,;-3.43,-6.55,;-2.66,-5.22,;-1.12,-5.22,;-.35,-6.55,;-.35,-3.89,;1.19,-3.89,;1.96,-2.55,;3.5,-2.55,;4.27,-1.22,;5.81,-1.22,;6.58,.11,;8.12,.11,;8.89,1.45,;10.43,1.45,;11.2,2.78,;12.74,2.78,;13.51,4.12,;15.05,4.12,;15.81,5.45,;17.35,5.45,;18.12,4.12,;18.12,6.78,;19.66,6.78,;20.43,8.12,;21.97,8.12,;22.74,9.45,;22.12,10.86,;23.26,11.89,;24.6,11.12,;26.13,11.28,;26.75,9.87,;28.27,9.6,;25.61,8.84,;24.28,9.61,;-17.6,-3.65,;-17.6,-2.11,;-18.93,-1.34,;-18.93,.2,;-18.93,-4.42,)|
Cc1nc(Oc2ccccn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-1.19,3.61,;-2.53,2.84,;-3.86,3.61,;-5.2,2.84,;-6.53,3.61,;-7.86,2.84,;-7.86,1.3,;-9.2,.53,;-10.53,1.3,;-10.53,2.84,;-9.2,3.61,;-5.2,1.3,;-3.86,.53,;-2.53,1.3,;-1.19,.53,;-1.19,-1.01,;-2.53,-1.78,;-2.53,-3.32,;-1.19,-4.09,;.14,-3.32,;1.6,-3.8,;2.51,-2.55,;4.05,-2.55,;4.82,-3.89,;4.82,-1.22,;6.36,-1.22,;7.26,-2.46,;8.73,-1.99,;8.73,-.45,;7.26,.03,;6.87,1.52,;7.95,2.6,;7.56,4.09,;9.44,2.21,;10.53,3.29,;1.47,-1.01,;1.47,.53,;.14,1.3,;.14,2.84,;.14,-1.78,)|
Cc1cccc(Oc2ccc(nc2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCC[C@@H]5NC(=O)C=C)c([nH]c2=O)c34)n1 |r|
CCn1cc(Nc2nc(O[C@H]3CN(CC[C@@H]3F)C(=O)C=C)c3cc[nH]c3n2)cn1 |r|
FC(F)Cn1cc(Nc2nc(O[C@H]3CN(CC[C@@H]3F)C(=O)C=C)c3cc[nH]c3n2)cn1 |r|
F[C@H]1CCN(C[C@@H]1Oc1nc(Nc2cnn(c2)C2CC2)nc2[nH]ccc12)C(=O)C=C |r|
CCn1cc(Nc2nc(O[C@H]3CN(CC[C@H]3F)C(=O)C=C)c3cc[nH]c3n2)cn1 |r|
FC(F)Cn1cc(Nc2nc(O[C@H]3CN(CC[C@H]3F)C(=O)C=C)c3cc[nH]c3n2)cn1 |r|
Cc1cc(Nc2nc(O[C@H]3CN(CC[C@H]3F)C(=O)C=C)c3cc[nH]c3n2)sn1 |r|
F[C@@H]1CCN(C[C@@H]1Oc1nc(Nc2cnn(c2)C2CC2)nc2[nH]ccc12)C(=O)C=C |r|
CCn1cc(Nc2nc(O[C@H]3CN(CC[C@@H]3F)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r|
F[C@H]1CCN(C[C@@H]1Oc1nc(Nc2cnn(c2)C2CC2)nc2[nH]cc(Cl)c12)C(=O)C=C |r|
Cc1cc(Nc2nc(O[C@H]3CN(CC[C@@H]3F)C(=O)C=C)c3c(Cl)c[nH]c3n2)sn1 |r|
CCn1cc(Nc2nc(O[C@H]3CN(CC[C@@H]3F)C(=O)C=C)c3c(c[nH]c3n2)C#N)cn1 |r|
F[C@H]1CCN(C[C@@H]1Oc1nc(Nc2cnn(c2)C2CC2)nc2[nH]cc(C#N)c12)C(=O)C=C |r|
FC(F)Cn1cc(Nc2nc(O[C@H]3CN(CC[C@@H]3F)C(=O)C=C)c3c(c[nH]c3n2)C#N)cn1 |r|
CCn1cc(Nc2nc(O[C@H]3CN(CC[C@H]3F)C(=O)C=C)c3c(F)c[nH]c3n2)cn1 |r|
FC(F)Cn1cc(Nc2nc(O[C@H]3CN(CC[C@H]3F)C(=O)C=C)c3c(F)c[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(O[C@H]3CN(CC[C@H]3F)C(=O)C=C)c3c(C)c[nH]c3n2)cn1 |r|
Cc1c[nH]c2nc(Nc3cnn(CC(F)F)c3)nc(O[C@H]3CN(CC[C@H]3F)C(=O)C=C)c12 |r|
Cc1cc(Nc2nc(O[C@H]3CN(CC[C@H]3F)C(=O)C=C)c3c(C)c[nH]c3n2)sn1 |r|
Cc1c[nH]c2nc(Nc3cnn(c3)C3CC3)nc(O[C@H]3CN(CC[C@H]3F)C(=O)C=C)c12 |r|
F[C@H]1CCN(C[C@@H]1Oc1nc(Nc2cnoc2)nc2[nH]ccc12)C(=O)C=C |r|
CCn1cc(Nc2nc(O[C@@H]3CN(CC[C@H]3F)C(=O)C=C)c3cc[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(O[C@H]3CN(CC[C@H]3F)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(O[C@@H]3CN(CC[C@@H]3F)C(=O)C=C)c3cc[nH]c3n2)cn1 |r|
F[C@H]1CCN(C[C@H]1Oc1nc(Nc2cnoc2)nc2[nH]ccc12)C(=O)C=C |r|
OCCn1cc(Nc2nc(O[C@H]3CN(CC[C@H]3F)C(=O)C=C)c3cc[nH]c3n2)cn1 |r|
Cc1cc(Nc2nc(O[C@@H]3CN(CC[C@@H]3F)C(=O)C=C)c3cc[nH]c3n2)sn1 |r|
F[C@H]1CCN(C[C@H]1Oc1nc(Nc2cnn(c2)C2CCOCC2)nc2[nH]ccc12)C(=O)C=C |r|
F[C@H]1CCN(C[C@H]1Oc1nc(Nc2ccc3ncsc3c2)nc2[nH]ccc12)C(=O)C=C |r|
CN(C)CC=CC(=O)N1CCC(C1)n1cc(C(N)=O)c(n1)-c1ccc(Oc2ccccc2)cc1 |w:4.3|
NC(=O)c1cn(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCC1
NC(=O)c1sc(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCC1
CCC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1
CS(=O)(=O)CCCOc1cccc(Nc2ncc(F)c(Oc3cccc(NC(=O)C=C)c3)n2)c1
COc1ccc(Nc2ncc(F)c(N[C@H]3CCCN(C3)C(=O)C=C)n2)cc1 |r|
Fc1cnc(Nc2ccc(OC3CCOC3)cc2)nc1N[C@@H]1CCCN(C1)C(=O)C=C |r|
CCn1cc(Nc2nc(N[C@@H]3CC[C@H](C)N(C3)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N[C@@H]3CC[C@H](C)N(C3)C(=O)C=C)c3cc[nH]c3n2)cn1 |r|
CC(C)Cn1cc(Nc2nc(N[C@@H]3CC[C@H](C)N(C3)C(=O)C=C)c3cc[nH]c3n2)cn1 |r|
C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1nc(Nc2cnn(c2)C2CCCC2)nc2[nH]ccc12 |r|
C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1nc(Nc2cnn(CCNC(=O)OC(C)(C)C)c2)nc2[nH]ccc12 |r|
C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1nc(Nc2cnsc2)nc2[nH]cc(Cl)c12 |r|
C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1nc(Nc2cnn(CC(F)F)c2)nc2[nH]cc(Cl)c12 |r|
C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1nc(Nc2cnn(CC(F)(F)F)c2)nc2[nH]cc(Cl)c12 |r|
C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1nc(Nc2cnn(c2)C2CC2)nc2[nH]cc(Cl)c12 |r|
CCn1cc(Nc2nc(N(C)[C@@H]3CC[C@H](C)N(C3)C(=O)C=C)c3cc[nH]c3n2)cn1 |r|
CCn1cc(Nc2nc(N(C)[C@@H]3CC[C@H](C)N(C3)C(=O)C=C)c3c(Cl)n[nH]c3n2)cn1 |r|
CC#CC(=O)NC12CCC(CC1)(C2)c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12
CC#CC(=O)NC12CCC(CC1)(C2)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
CC#CC(=O)NC12CCC(CC1)(C2)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C#N)c2c(N)nccn12
CC#CC(=O)NC12CCC(CC1)(C2)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
COc1ccc(F)cc1C(=O)NCc1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1)(C2)NC(=O)C#CC
CC#CC(=O)NC12CCC(CC1)(C2)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12
COC\C=C\C(=O)NC12CCC(CC1)(C2)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(C2)NC(=O)C=C
CC1(COC1)C(=O)NC12CCC(CC1)(C2)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
CC(C)(O)C(=O)NC12CCC(CC1)(C2)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
COCC(=O)NC12CCC(CC1)(C2)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
COCCC(=O)NC12CCC(CC1)(C2)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(C2)NC(=O)CN1CCOCC1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(C2)NC(=O)C1CCCO1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(C2)NC(=O)C1(CC1)C#N
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(C2)NC(=O)CC#N
CC(C#N)C(=O)NC12CCC(CC1)(C2)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(C2)NC(=O)C1(CCOCC1)C#N
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(C2)NC(=O)c1ccccc1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(C2)NC(=O)c1ccccn1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(C2)NC(=O)c1cccnc1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(C2)NC(=O)c1ccco1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(C2)NC(=O)c1nccs1
CC(C)(O)C(=O)NC12CCC(CC1)(C2)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12
COCCC(=O)NC12CCC(CC1)(C2)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12
CC1(COC1)C(=O)NC12CCC(CC1)(C2)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)C12CCC(CC1)(C2)NC(=O)CN1CCOCC1
COc1ccc(F)cc1C(=O)NCc1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1)(C2)NC(=O)C(C)(C)O
COCCC(=O)NC12CCC(CC1)(C2)c1nc(-c2ccc(CNC(=O)c3cc(F)ccc3OC)cc2)c2c(N)nccn12
COc1ccc(F)cc1C(=O)NCc1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1)(C2)NC(=O)C1(C)COC1
COc1ccc(F)cc1C(=O)NCc1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1)(C2)NC(=O)CN1CCOCC1
CC#CC(=O)NC12CCC(CC1)(C2)n1cc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12
CC(C)(O)C(=O)NC12CCC(CC1)(C2)n1cc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12
COCCC(=O)NC12CCC(CC1)(C2)n1cc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12
CC1(COC1)C(=O)NC12CCC(CC1)(C2)n1cc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12
Nc1ncnc2n(cc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(C2)NC(=O)CN1CCOCC1
CC#CC(=O)NC12CCC(CC1)(C2)n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c1=O
Nc1ncnc2n(c(=O)n(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(C2)NC(=O)CN1CCOCC1
CCC1(OCCCOc2ccc(Nc3ncc(F)c(N[C@@H]4CCCN(C4)C(=O)C=C)n3)cc2)OCC(C)(C)CO1 |r|
Fc1cnc(Nc2ccc3OCCOCCOCCOc3c2)nc1N[C@@H]1CCCN(C1)C(=O)C=C |r|
C=CC(=O)N1CCC[C@H](C1)Nc1nc(Nc2ccc3OCCOCCOCCOc3c2)nc2[nH]cnc12 |r|
CCC(=O)N1CCC[C@H](C1)Nc1nc(Nc2ccc3OCCOCCOCCOc3c2)nc2[nH]cnc12 |r|
CCC1(OCCCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)OCC(C)(C)CO1
Fc1cnc(Nc2ccc3OCCOCCOCCOc3c2)nc1Nc1cccc(NC(=O)C=C)c1
C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc4OCCOCCOCCOc4c3)nc3[nH]cnc23)c1
CCC(=O)Nc1cccc(Nc2nc(Nc3ccc4OCCOCCOCCOc4c3)nc3[nH]cnc23)c1
CCC1(OCCCOc2ccc(Nc3ncc(F)c(Nc4ccccc4NC(=O)C=C)n3)cc2)OCC(C)(C)CO1
Fc1cnc(Nc2ccc3OCCOCCOCCOc3c2)nc1Nc1ccccc1NC(=O)C=C
C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc3OCCOCCOCCOc3c2)nc2[nH]cnc12
CCC(=O)Nc1ccccc1Nc1nc(Nc2ccc3OCCOCCOCCOc3c2)nc2[nH]cnc12
CN([C@@H]1CCCC[C@H]1Oc1nc(Nc2ccc3OCCOCCOCCOc3c2)nc2[nH]ccc12)S(C)(=O)=O |r|
CN(C1CCCC1Oc1nc(Nc2ccc3OCCOCCOCCOc3c2)nc2[nH]ccc12)S(C)(=O)=O
CN([C@@H]1CCC[C@H]1Oc1nc(Nc2ccc3OCCOCCOCCOc3c2)nc2[nH]ncc12)S(C)(=O)=O |r|
CN(c1cnccc1CNc1nc(Nc2ccc3OCCOCCOCCOc3c2)nc2[nH]ccc12)S(C)(=O)=O
C1COCCOc2cc(Nc3nc(Nc4cccc5[nH]ccc45)c4nc[nH]c4n3)ccc2OCCO1
C1COCCOc2cc(Nc3nc(Nc4cccc5cc[nH]c45)c4nc[nH]c4n3)ccc2OCCO1
CCC(=O)Nc1ccccc1Nc1nc(Nc2ccc3OCCOCCOCCOc3c2)nc2[nH]ncc12
CC(=O)Nc1cc(C)ccc1Nc1nc(Nc2ccc3OCCOCCOCCOc3c2)nc2[nH]cnc12
CC(=O)Nc1cc(F)ccc1Nc1nc(Nc2ccc3OCCOCCOCCOc3c2)nc2[nH]cnc12
CC(=O)Nc1cc(ccc1Nc1nc(Nc2ccc3OCCOCCOCCOc3c2)nc2[nH]cnc12)C(F)(F)F
Fc1cnc(Nc2ccc3OCCOCCOCCOc3c2)nc1-c1cccc(NC(=O)C=C)c1
CN([C@H]1[C@@H](Cc2ccccc12)Oc1nc(Nc2ccc3OCCOCCOCCOc3c2)nc2[nH]cnc12)S(C)(=O)=O |r|
CN([C@H]1[C@@H](Cc2ccccc12)Oc1nc(Nc2ccc3OCCOCCOCCOc3c2)ncc1C(F)(F)F)S(C)(=O)=O |r|
CCN(CCOC)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2COC(C)=O)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1
C[C@@H]1CN([C@@H](C)CN1C1COC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CCCc4cc3c2=O)nc1 |r|
CCn1cc(Nc2nc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nn1
CC(C)n1cc(Nc2nc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nn1
C[C@@H]1CN([C@@H](C)CN1C1COC1)c1ccc(Nc2nc(nn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1 |r|
CC(C)n1cc(Nc2cc(nn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nn1
COCCN1CCN([C@@H](C)C1)c1ccc(Nc2cc(nn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1 |r|
Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
C[C@H]1COCCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(c(C)n(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2C)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
CCn1nc(cc(Nc2ccc(cn2)N2CCN(C[C@@H]2C)C2COC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O |r|
CN1CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ccn4c5CC(C)(C)Cc5cc4c3=O)cc2C1=O
CC(C)n1cc(Nc2cc(cn3ncnc23)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nn1
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2nc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn3ncnc23)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(nn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn3c(F)cnc23)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
CCn1cc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nn1
CCn1cc(Nc2cc(nn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nn1
C[C@H]1CN(C)CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1 |r|
C[C@@H]1CN([C@@H](C)CN1C1COC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1 |r|
Cn1cc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nn1
Cn1cc(Nc2cc(nn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nn1
Cn1cc(cc(Nc2cn(CC(F)(F)F)nn2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
Cn1cc(cc(Nc2cn(CCF)nn2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
Cn1nc(cc(Nc2cn(CCF)nn2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
Cn1nc(cc(Nc2cn(CC(F)(F)F)nn2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2=O)C2COC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
COC1CN(C1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1
Cn1cc(cc(Nc2ccc(cn2)C2=CCN(CC2)C2COC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O |t:14|
Cn1cc(cc(Nc2ccc(cn2)-c2ccc(cc2)C2COC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
CC(C)Nc1cc(cn(C)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
CN(C1COC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1
COCC(C)n1cc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nn1
C[C@H]1CN(CCN1c1cnc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)cn1)C1COC1 |r|
C[C@H]1CN(CCN1c1cnc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
Cn1cc(cc(Nc2ccc(NC3CCCOC3)cn2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
Cn1cc(cc(Nc2ccc(N[C@@H]3CC[C@@H](CO)OC3)cn2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O |r|
Cn1cc(cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
CN1CCN(CC1)C(=O)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1
C[C@H]1CN(CCN1c1ccc(Nc2cc(n[nH]c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
COCCN(C)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1
COCCN(C(C)C)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c(cc4cccc(F)c34)c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4cccc(F)c4cc3c2=O)nc1)C1COC1 |r|
Cc1cc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)ncn1
Cn1cc(cc(Nc2ccccn2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(F)(F)CCc4cc3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4ccccc4c(F)c3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CCC(F)(F)Cc4cc3c2=O)nc1)C1COC1 |r|
C[C@@H]1CN([C@@H](C)CN1C1COC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4ccccc4c(F)c3c2=O)nc1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4ccc(F)cc4c(F)c3c2=O)nc1)C1COC1 |r|
C[C@@H]1CN([C@@H](C)CN1C1COC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4ccc(F)cc4c(F)c3c2=O)nc1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4c(Br)c3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2cnn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CCCc4cc3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ncnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1CCOC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c(cc4cccnc34)c2=O)nc1)C1COC1 |r|
CC(=O)N1CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ccn4c5CC(C)(C)Cc5cc4c3=O)cc2C1
CN1CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ccn4c5CC(C)(C)Cc5cc4c3=O)cc2C1
COCCN1CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ccn4c5CC(C)(C)Cc5cc4c3=O)cc2C1
CCn1cc(Nc2cc(cn3ncnc23)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nn1
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2C=O)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
Cn1cc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CCCc4cc3c2=O)nn1
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c(cc4ccccc34)c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4ccc(F)cc4cc3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(nn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c(cc4ccccc34)c2=O)nc1)C1COC1 |r|
Cn1cc(cc(Nc2ccccc2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
CC1CCc2cc3n(ccn(-c4nccc(c4CO)-c4cc(Nc5ccc(cn5)N5CCN(C[C@@H]5C)C5COC5)c(=O)n(C)c4)c3=O)c2C1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
C[C@@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
Cn1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)n1
Cc1cc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nn1C
Cn1cc(cc(Nc2ccncn2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
Cn1cc(cc(Nc2cccnn2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
Cc1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nn1
Cn1cc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)cn1
Cc1cc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)no1
CCC(=O)Nc1cc(cn(C)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
Cn1cc(cc(NC(=O)C2CC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
Cn1cc(cc(Nc2ccc(F)cn2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
CC[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CCCCCc4cc3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CCOCc4cc3c2=O)nc1)C1COC1 |r|
Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2(C)C)C2COC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
C[C@H]1CNCCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1 |r|
Cn1cc(cc(N)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
Cn1nc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)cc1C(=O)N1CCOCC1
C[C@H]1CN(CC#N)CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)c(F)c1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2nc(C)n3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CF)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
CN(C1COC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CC(C)(C)Cc4cc3c2=O)nc1
COCCN1CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ncn4c5CC(C)(C)Cc5cc4c3=O)cc2C1
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C#N |r|
Cn1cc(cc(Nc2ccc(cn2)N2CCC3C2CCN3C2COC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
COCCN1CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ncn4c5CC(C)(C)Cc5cc4c3=O)cc2C1C
COCCN1CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ccn4c5CC(C)(C)Cc5cc4c3=O)cc2C1C
CC1N(CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ccn4c5CC(C)(C)Cc5cc4c3=O)cc12)C1COC1
CC(O)c1c(ccnc1-n1ccn2c3CC(C)(C)Cc3cc2c1=O)-c1cc(Nc2ccc(cn2)N2CCN(C[C@@H]2C)C2COC2)c(=O)n(C)c1 |r|
COCC(C)N1CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ccn4c5CC(C)(C)Cc5cc4c3=O)cc2C1
COCCN1CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ccn4c5CC(C)(C)Cc5cc4c3=O)cc2[C@@H]1C |r|
COCCN1CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ccn4c5CC(C)(C)Cc5cc4c3=O)cc2[C@H]1C |r|
CC1N(CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ncn4c5CC(C)(C)Cc5cc4c3=O)cc12)C1COC1
COCCN1CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ncn4c5CC(C)(C)Cc5cc4c3=O)cc2[C@@H]1C |r|
COCCN1CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ncn4c5CC(C)(C)Cc5cc4c3=O)cc2[C@H]1C |r|
COCCN1CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3nc(C)n4c5CC(C)(C)Cc5cc4c3=O)cc2C1C
Cn1cc(cc(Nc2cc3CN(CCn3n2)C2COC2)c1=O)-c1ccnc(c1CO)-n1ncn2c3CC(C)(C)Cc3cc2c1=O
C[C@H]1CN(C2COC2)C(=O)N1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1 |r|
Cn1cc(cc(Nc2cc3CN(CCn3n2)C2COC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
Cc1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1
COc1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1
C[C@@H](CNC1COC1)Nc1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1 |r|
Cn1cc(cc(NC(=O)C2CCC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
Cn1cc(cc(NC(=O)c2ccccc2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
Cc1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CC(C)(C)Cc4cc3c2=O)nn1
COc1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CC(C)(C)Cc4cc3c2=O)nc1
Cn1cc(cc(Nc2cc3CN(CCn3n2)C2COC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CCCc3cc2c1=O
CC(=O)OCc1c(ccnc1-n1ccn2c3CC(C)(C)Cc3cc2c1=O)-c1cc(Nc2cc3CN(CCn3n2)C(=O)OC(C)(C)C)c(=O)n(C)c1
C[C@@H]1N(CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ccn4c5CC(C)(C)Cc5cc4c3=O)cc12)C1COC1 |r|
C[C@H]1N(CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ccn4c5CC(C)(C)Cc5cc4c3=O)cc12)C1COC1 |r|
CCn1cc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CCCc4cc3c2=O)nn1
COC1CN(C1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CC(C)(C)Cc4cc3c2=O)nc1
Cn1cc(cc(Nc2ccc(cn2)C2CN(C2)C2COC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
Cn1cc(cc(Nc2ccc(cn2)C2CN(C2)C2COC2)c1=O)-c1ccnc(c1CO)-n1ncn2c3CC(C)(C)Cc3cc2c1=O
Cn1cc(cc(Nc2cc3CN(CCn3n2)C#N)c1=O)-c1ccnc(c1CO)-n1ccn2c3CCCc3cc2c1=O
Cn1cc(cc(Nc2cc3CN(CCn3n2)C#N)c1=O)-c1ccnc(c1CO)-n1ncn2c3CC(C)(C)Cc3cc2c1=O
CC1N(CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ccn4c5CCCc5cc4c3=O)cc12)C1COC1
COCCN1CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ccn4c5CCCc5cc4c3=O)cc2C1C
COc1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CCCc4cc3c2=O)nc1
Cc1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CCCc4cc3c2=O)nn1
COCCN1CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ccn4c5CCCc5cc4c3=O)cc2C1
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4ccccc4c(F)c3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CCCCCc4cc3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c(cc4ccccc34)c2=O)nc1)C1COC1 |r|
COC1CN(C1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CCCc4cc3c2=O)nc1
COCc1cc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CCCc4cc3c2=O)nn1C
COCc1cc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nn1C
Cn1cc(cc(Nc2cc3COCCn3n2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CCCc3cc2c1=O
Cn1cc(cc(Nc2cc3COCCn3n2)c1=O)-c1ccnc(c1CO)-n1ncn2c3CC(C)(C)Cc3cc2c1=O
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CCCCc4cc3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2nc(C)n3c4CCCCc4cc3c2=O)nc1)C1COC1 |r|
COC1CN(C1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nn1
CC1Cc2cc3n(ccn(-c4nccc(c4CO)-c4cc(Nc5ccc(cn5)N5CCN(C[C@@H]5C)C5COC5)c(=O)n(C)c4)c3=O)c2C1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CCCCc4c(F)c3c2=O)nc1)C1COC1 |r|
Cn1cc(cc(Nc2cc3COCCn3n2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
COCCN1CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ncn4c5CCCCc5cc4c3=O)cc2C1
Cc1nn(-c2nccc(c2CO)-c2cc(Nc3cc4CN(CCn4n3)C3COC3)c(=O)n(C)c2)c(=O)c2cc3CC(C)(C)Cc3n12
CCN1CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ncn4c5CC(C)(C)Cc5cc4c3=O)cc2C1
Cn1cc(cc(Nc2cc3CN(CCn3n2)C2COC2)c1=O)-c1ccnc(c1CO)-n1ncn2c3CCCCc3cc2c1=O
COCCN1CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ccn4c5CCCCc5c(F)c4c3=O)cc2C1
COCCN1CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ccn4c5CC(C)Cc5cc4c3=O)cc2C1
COc1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nn1
Cn1cc(cc(Nc2cc3CN(CCn3n2)C2CCC2)c1=O)-c1ccnc(c1CO)-n1ncn2c3CC(C)(C)Cc3cc2c1=O
Cn1cc(cc(Nc2cc3CN(CCn3n2)C2CC2)c1=O)-c1ccnc(c1CO)-n1ncn2c3CC(C)(C)Cc3cc2c1=O
CCn1cc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)cn1
CC(C)n1cc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)cn1
CCCn1cc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)cn1
COCCn1cc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)cn1
Cn1cc(cc(Nc2cc3COCCn3n2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CCCCc3c(F)c2c1=O
COCCN1CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ccn4c5ccccc5c(F)c4c3=O)cc2C1
Cn1cc(cc(Nc2cc3CN(CCn3n2)C2COC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3ccccc3c(F)c2c1=O
CC(O)CN(CCNc1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1
CCn1cc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CCCCc4c(F)c3c2=O)cn1
CC1Cc2cc3n(ccn(-c4nccc(c4CO)-c4cc(Nc5cc6COCCn6n5)c(=O)n(C)c4)c3=O)c2C1
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4C(O)C(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
Cn1cc(cc(Nc2ccc(cn2)C2CN(C2)C2COC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3ccccc3c(F)c2c1=O
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2cnn3c4CCCCc4cc3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C(CO)CO |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CCCCc4c(F)c3c2=O)nc1)C1COC1 |r|
CC1CCc2c(C1)cc1n2ccn(-c2nccc(c2CO)-c2cc(Nc3ccc(cn3)N3CCN(C[C@@H]3C)C3COC3)c(=O)n(C)c2)c1=O |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c(cc4cc(C)ccc34)c2=O)nc1)C1COC1 |r|
C[C@H]1COCCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CCCc4cc3c2=O)nc1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2cnn3c4CCCCc4c(F)c3c2=O)nc1)C1COC1 |r|
Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2(C)C)C2COC2)c1=O)-c1ccnc(c1CO)-n1ncn2c3CC(C)(C)Cc3cc2c1=O
Cc1cc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CC(C)(C)Cc4cc3c2=O)no1
C[C@@H]1CN([C@@H](C)CN1C1COC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CC(C)(C)Cc4cc3c2=O)nc1 |r|
COCCN1CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3cnn4c5CCCCc5cc4c3=O)cc2C1
C[C@H]1COCCN1c1cnc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CC(C)(C)Cc4cc3c2=O)nc1 |r|
C[C@H]1COCCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CC(C)(C)Cc4cc3c2=O)nc1 |r|
C[C@H]1CN(CCN1c1cnc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4[C@@H](O)C(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4[C@H](O)C(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
Cn1cc(cc(Nc2ccc(nn2)C2CCN(CC2)C2COC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
C[C@@H]1CN([C@@H](C)CN1C1COC1)c1ccc(Nc2cc(nn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1 |r|
CCn1cc(cc(Nc2ccc(cn2)N2CCN(C[C@@H]2C)C2COC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O |r|
C[C@H]1COCCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nn1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nn1)C1COC1 |r|
C[C@@H]1CN([C@@H](C)CN1C1COC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nn1 |r|
COCCN1CCN([C@@H](C)C1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CC(C)(C)Cc4cc3c2=O)nc1 |r|
COCCN1C[C@H](C)N(C[C@H]1C)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CC(C)(C)Cc4cc3c2=O)nc1 |r|
CCn1cc(Nc2cc(cn3ncnc23)-c2ccnc(c2CO)-n2ncn3c4CC(C)(C)Cc4cc3c2=O)nn1
C[C@@H]1CN([C@@H](C)CN1C1COC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CC(C)(C)Cc4cc3c2=O)nn1 |r|
CCn1cc(cc(Nc2ccc(cn2)N2C[C@@H](C)N(C[C@@H]2C)C2COC2)c1=O)-c1ccnc(c1CO)-n1ncn2c3CC(C)(C)Cc3cc2c1=O |r|
CCn1cc(cc(Nc2ccc(cn2)N2CCN(C[C@@H]2C)C2COC2)c1=O)-c1ccnc(c1CO)-n1ncn2c3CC(C)(C)Cc3cc2c1=O |r|
C[C@H]1COCCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CC(C)(C)Cc4cc3c2=O)nn1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CC(C)(C)Cc4cc3c2=O)nn1)C1COC1 |r|
CCn1cc(cc(Nc2ccc(nn2)N2CCOC[C@@H]2C)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O |r|
CCn1cc(cc(Nc2ccc(cn2)N2C[C@@H](C)N(C[C@@H]2C)C2COC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2cncc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
CC[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nn1)C1COC1 |r|
C[C@@H]1CN([C@@H](C)CN1C1COC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CCCCc4c(F)c3c2=O)nc1 |r|
COCC(C)N1CCN([C@@H](C)C1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CC(C)(C)Cc4cc3c2=O)nc1 |r|
COCCN1CCN(c2ccc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ncn4c5CC(C)(C)Cc5cc4c3=O)nc2)C(C)(C)C1
C[C@@H]1CN([C@@H](C)CN1C1COC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CCCCc4c(F)c3c2=O)nc1 |r|
Cn1cc(cc(Nc2ccc(nn2)N2CCN(CC2)C2COC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
CC[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2(C)C)C2COC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CCCCc3c(F)c2c1=O
COCCN1CCN(c2ccc(Nc3cc(cn(C)c3=O)-c3ccnc(c3CO)-n3ccn4c5CC(C)(C)Cc5cc4c3=O)nc2)C(C)(C)C1
CC[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CCCCc4c(F)c3c2=O)nc1)C1COC1 |r|
COCc1c(ccnc1-n1ccn2c3CC(C)(C)Cc3cc2c1=O)-c1cc(Nc2ccc(cn2)N2CCN(C[C@@H]2C)C2COC2)c(=O)n(C)c1 |r|
Cn1cc(cc(Nc2ccc(cn2)N2CCC3(COC3)CC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
Cn1cc(cc(Nc2ccc(cn2)N2C[C@@H]3C[C@H]2CN3C2COC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O |r|
Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC22CC2)C2COC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
Cn1cc(cc(Nc2ccc(cn2)N2CCN3CCOCC3C2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
Cn1cc(cc(Nc2ccc(cn2)N2CCC3(CCOC3)CC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
C[C@@H]1[C@H](C)N(CCN1C1COC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1 |r|
Cn1cc(cc(Nc2ccc(cn2)N2C3CC2CN(C3)C2COC2)c1=O)-c1ccnc(c1CO)-n1ccn2c3CC(C)(C)Cc3cc2c1=O
C[C@H]1CN2CCOCC2CN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1 |r|
Clc1cccc(Oc2ncc(cn2)-c2cncc(NC3CCN(CC3)C(=O)C=C)c2)c1
Fc1c(Cl)cccc1Oc1ncc(cn1)-c1cncc(NC2CN(C2)C(=O)C=C)c1
C=CC(=O)N1CC(C1)Nc1cncc(c1)-c1cnc(Oc2cccc(c2)C#N)nc1
FC(F)Oc1cccc(Oc2ncc(cn2)-c2cncc(NC3CN(C3)C(=O)C=C)c2)c1
FC(F)Oc1cccc(Oc2ncc(cn2)-c2cncc(N[C@H]3CCN(C3)C(=O)C=C)c2)c1 |r|
Clc1cccc(Oc2ncc(cn2)-c2cncc(N[C@H]3CCN(C3)C(=O)C=C)c2)c1 |r|
Clc1cccc(Oc2ncc(cn2)-c2cncc(NC3CN(C3)C(=O)C=C)c2)c1
FC(F)(F)c1cccc(Oc2ncc(cn2)-c2cncc(NC3CN(C3)C(=O)C=C)c2)c1
FC(F)Oc1cc(Oc2ncc(cn2)-c2cncc(NC3CN(C3)C(=O)C=C)c2)ccc1F
FC(F)(F)Oc1cccc(Oc2ncc(cn2)-c2cncc(NC3CN(C3)C(=O)C=C)c2)c1
Fc1cccc(Oc2ncc(cn2)-c2cncc(NC3CN(C3)C(=O)C=C)c2)c1
CC1(CN(C1)C(=O)C=C)Nc1cncc(c1)-c1cnc(Oc2cccc(Cl)c2)nc1
Fc1ccc(Oc2ncc(cn2)-c2cncc(NC3CN(C3)C(=O)C=C)c2)cc1Cl
C=CC(=O)N1CC(C1)Nc1cncc(c1)-c1cnc(Oc2cccc(c2)C#C)nc1
Clc1cccc(Nc2ncc(cn2)-c2cncc(N[C@H]3CCN(C3)C(=O)C=C)c2)c1 |r|
FC(F)Oc1cccc(Nc2ncc(cn2)-c2cncc(N[C@H]3CCN(C3)C(=O)C=C)c2)c1 |r|
Cc1cccc(Nc2ncc(cn2)-c2cncc(N[C@H]3CCN(C3)C(=O)C=C)c2)n1 |r|
FC(F)(F)c1cccc(Nc2ncc(cn2)-c2cncc(NC3CN(C3)C(=O)C=C)c2)c1
Clc1cccc(Nc2ncc(cn2)-c2cncc(NC3CCN(CC3)C(=O)C=C)c2)c1
Cc1cccc(Nc2ncc(cn2)-c2cncc(NC3CCN(CC3)C(=O)C=C)c2)n1
FC(F)(F)c1cccc(Nc2ncc(cn2)-c2cncc(NC3CCN(CC3)C(=O)C=C)c2)n1
C=CC(=O)N1CCC(CC1)Nc1cncc(c1)-c1cnc(Nc2ccccn2)nc1
CN(C)C\C=C\C(=O)N1CCC(CC1)Nc1cncc(c1)-c1cnc(Nc2cccc(Cl)c2)nc1
FC(F)Oc1cccc(Oc2ncc(cn2)-c2cncc(NC3CN(C3)C(=O)C=C)n2)c1
Fc1cccc(Oc2ncc(cn2)-c2cncc(NC3CN(C3)C(=O)C=C)n2)c1
FC(F)(F)c1cccc(Oc2ncc(cn2)-c2cncc(NC3CN(C3)C(=O)C=C)n2)c1
FC(F)(F)Oc1cccc(Oc2ncc(cn2)-c2cncc(NC3CN(C3)C(=O)C=C)n2)c1
C=CC(=O)N1CC(C1)Nc1cncc(n1)-c1cnc(Oc2ccccc2)nc1
CC1(CN(C1)C(=O)C=C)Nc1cncc(n1)-c1cnc(Oc2cccc(Cl)c2)nc1
Fc1cc(F)cc(Oc2ncc(cn2)-c2cncc(NC3CN(C3)C(=O)C=C)n2)c1
Clc1cccc(Oc2ncc(cn2)-c2cncc(NC3CN(C3)C(=O)C=C)n2)c1
C[C@H]1[C@@H](CN1C(=O)C=C)Nc1cncc(n1)-c1cnc(Oc2cccc(Cl)c2)nc1 |r|
FC(F)(F)Oc1cccc(Nc2ncc(cn2)-c2cncc(N[C@H]3CCN(C3)C(=O)C=C)n2)c1 |r|
Clc1cccc(Nc2ncc(cn2)-c2cncc(N[C@H]3CCN(C3)C(=O)C=C)n2)c1 |r|
Fc1ccc(Nc2ncc(cn2)-c2cncc(NC3CN(C3)C(=O)C=C)n2)cc1Cl
FC(F)(F)Oc1ccccc1Nc1ncc(cn1)-c1cncc(N[C@H]2CCN(C2)C(=O)C=C)n1 |r|
FC(F)(F)Oc1cccc(Nc2ncc(cn2)-c2cncc(NC3CN(C3)C(=O)C=C)n2)c1
FC(F)Oc1cccc(Oc2ncc(cn2)-c2cncc(NC3CCN(CC3)C(=O)C=C)n2)c1
FC(F)Oc1cccc(Nc2ncc(cn2)-c2cncc(N[C@H]3CCN(C3)C(=O)C=C)n2)c1 |r|
Cc1cccc(Nc2ncc(cn2)-c2cncc(NC3CN(C3)C(=O)C=C)n2)n1
Clc1ccc(Oc2ncc(cn2)-c2cncc(NC3CN(C3)C(=O)C=C)n2)cc1
COc1cccc(Oc2ncc(cn2)-c2cncc(NC3CN(C3)C(=O)C=C)n2)c1
FC(F)(F)Oc1ccccc1Nc1ncc(cn1)-c1cncc(NC2CN(C2)C(=O)C=C)n1
Clc1cccc(Oc2ncc(cn2)-c2cncc(NC3CCN(CC3)C(=O)C=C)n2)c1
CN(C)C\C=C\C(=O)N1CCC(CC1)Nc1cncc(n1)-c1cnc(Oc2cccc(Cl)c2)nc1
CN(C)C\C=C\C(=O)N1CCC(CC1)Nc1cncc(n1)-c1cnc(Nc2cccc(Cl)c2)nc1
CC1CC(CCN1C(=O)C=C)Nc1cncc(c1)-c1cnc(Nc2cccc(Cl)c2)nc1
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(CC1)C1CN(C1)C1CN(C1)c1ccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2c1
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCNC3C(=O)C#CC)n3ccnc(C)c23)c1F |r|
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCNC3C(=O)C=C)n3ccncc23)c1F |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Oc3ccccc3)cn2)c2cnccn12 |r|
Fc1cccc(COc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccncc23)c1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(nccn12)C1CC1 |r|
CCOc1cncc2c(nc([C@@H]3CCN(C3)C(=O)C#CC)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cncc2c(nc([C@@H]3CCN(C3)C(=O)C=C)n12)-c1ccc(cc1F)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cncc2c(nc([C@@H]3CCN(C3)C(=O)C#CC)n12)-c1ccc(cc1F)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cncc2c(nc([C@@H]3CCCN3C(=O)C#CC)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOc1cncc2c(nc([C@@H]3CCCN3C(=O)C=C)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
COC(=O)C1CCC2CCN(Cc3ccc(OC)cc3OC)C(=O)N2C1
C[C@H]1CN(C[C@H](C)N1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(C[C@@H](C)N1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(C[C@H](C)N1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CCCCc4c(F)c3c2=O)nc1)C1COC1 |r|
C[C@H]1CN(C[C@H](C)N1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1 |r|
C[C@H]1CNC[C@H](C)N1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1
C[C@H]1CN(C)C[C@H](C)N1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1 |r|
C[C@@H](NC(=O)c1nc(no1)C(C)(C)C)c1ccc(cc1C)-c1cc(Nc2ccc(cn2)N2CCN(CCc3ccc(cc3)N3CCC(=O)NC3=O)C[C@@H]2C)ncn1 |r|
C[C@@H](NC(=O)c1nc(no1)C(C)(C)C)c1ccc(cc1C)-c1cc(Nc2ccc(cn2)N2CCN(CCc3ccc(cc3)N3CCC(=O)NC3=O)C[C@H]2C)ncn1 |r|
C[C@@H](NC(=O)c1nc(no1)C(C)(C)C)c1ccc(cc1C)-c1cc(Nc2ccc(cn2)N2CCN(CCc3ccc(cc3)N3CCC(=O)NC3=O)CC2)ncn1 |r|
C[C@@H](NC(=O)c1nc(no1)C(C)(C)C)c1ccc(cc1C)-c1cc(Nc2ccc(cn2)N2CCN(CCc3ccc(N4CCC(=O)NC4=O)c(F)c3)C[C@@H]2C)ncn1 |r|
C[C@@H](NC(=O)c1nc(no1)C(C)(C)C)c1ccc(cc1C)-c1cc(Nc2ccc(cn2)N2CCN(CCc3ccc(N4CCC(=O)NC4=O)c(F)c3)C[C@H]2C)ncn1 |r|
CC[C@H]1CN(CCc2ccc(cc2)N2CCC(=O)NC2=O)CCN1c1ccc(Nc2cc(ncn2)-c2ccc([C@@H](C)NC(=O)c3nc(no3)C(C)(C)C)c(C)c2)nc1 |r|
CC[C@H]1CN(CCc2ccc(N3CCC(=O)NC3=O)c(F)c2)CCN1c1ccc(Nc2cc(ncn2)-c2ccc([C@@H](C)NC(=O)c3nc(no3)C(C)(C)C)c(C)c2)nc1 |r|
CC[C@@H]1CN(CCc2ccc(cc2)N2CCC(=O)NC2=O)CCN1c1ccc(Nc2cc(ncn2)-c2ccc([C@@H](C)NC(=O)c3nc(no3)C(C)(C)C)c(C)c2)nc1 |r|
C[C@@H](NC(=O)c1nc(no1)C(C)(C)C)c1ccc(cc1C)-c1cc(Nc2ccc(cn2)N2CCN(CCc3ccc(cc3)N3CCC(=O)NC3=O)CC2(C)C)ncn1 |r|
C[C@@H](NC(=O)c1nc(no1)C(C)(C)C)c1ccc(c(F)c1C)-c1cc(Nc2ccc(cn2)N2CCN(CCc3ccc(cc3)N3CCC(=O)NC3=O)C[C@@H]2C)ncn1 |r|
C[C@@H](NC(=O)c1nc(no1)C(C)(C)C)c1ccc(c(F)c1C)-c1cc(Nc2ccc(cn2)N2CCN(CCc3ccc(cc3)N3CCC(=O)NC3=O)CC2)ncn1 |r|
C[C@@H](NC(=O)c1nc(no1)C(C)(C)C)c1cc(F)c(cc1C)-c1cc(Nc2ccc(cn2)N2CCN(CCc3ccc(cc3)N3CCC(=O)NC3=O)CC2)ncn1 |r|
CC(C)[C@H]1CN(CCc2ccc(cc2)N2CCC(=O)NC2=O)CCN1c1ccc(Nc2cc(ncn2)-c2ccc([C@@H](C)NC(=O)c3nc(no3)C(C)(C)C)c(C)c2)nc1 |r|
C[C@@H](NC(=O)c1nc(no1)C(C)(C)C)c1ccc(cc1Cl)-c1cc(Nc2ccc(cn2)N2CCN(CCc3ccc(cc3)N3CCC(=O)NC3=O)C[C@@H]2C)ncn1 |r|
COC[C@H]1CN(CCc2ccc(cc2)N2CCC(=O)NC2=O)CCN1c1ccc(Nc2cc(ncn2)-c2ccc([C@@H](C)NC(=O)c3nc(no3)C(C)(C)C)c(C)c2)nc1 |r|
C[C@@H](NC(=O)c1nc(no1)C(C)(C)C)c1ccc(cc1C(F)(F)F)-c1cc(Nc2ccc(cn2)N2CCN(CCc3ccc(cc3)N3CCC(=O)NC3=O)C[C@@H]2C)ncn1 |r|
C[C@@H](NC(=O)c1nc(no1)C(C)(C)C)c1ccc(cc1F)-c1cc(Nc2ccc(cn2)N2CCN(CCc3ccc(cc3)N3CCC(=O)NC3=O)C[C@@H]2C)ncn1 |r|
C[C@@H](NC(=O)c1nc(no1)C(C)(C)C)c1ccc(cc1C)-c1cc(Nc2ccc(cc2)N2CCN(CCc3ccc(cc3)N3CCC(=O)NC3=O)C[C@@H]2C)ncn1 |r|
C[C@@H](NC(=O)c1nc(no1)C(C)(C)C)c1ccc(cc1C)-c1cc(Nc2ccc(CCN3CCN(CC3)c3ccc(cc3)N3CCC(=O)NC3=O)cn2)ncn1 |r|
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)CCl)C1
CS(=O)(=O)OCC(=O)N1CCC[C@@H](N2N=C(c3ccc(Oc4ccccc4)cc3)C3C2=NC=NC3N)C1
CNS(=O)(=O)OCC(=O)N1CCC[C@@H](N2N=C(c3ccc(Oc4ccccc4)cc3)C3C2=NC=NC3N)C1
NC1N=CN=C2C1C(c1ccc(Oc3ccccc3)cc1)=NN2[C@@H]1CCCN(C(=O)COS(=O)(=O)NCc2ccccc2)C1
NC1N=CN=C2C1C(c1ccc(Oc3ccccc3)cc1)=NN2[C@@H]1CCCN(C(=O)COS(=O)(=O)Nc2ccccc2)C1
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)CS(=O)(=O)c2ccccc2)C1
Fc1cccc(F)c1Oc1ccc(cc1)-n1nc([C@H]2CCCN(C2)C(=O)C=C)c2c(F)cncc12 |r|
Fc1cccc(Oc2ccc(cc2)-n2nc([C@@H]3CCCN(C3)C(=O)C=C)c3c(F)cncc23)c1F |r|
Fc1cccc(F)c1Oc1ccc(cc1)-n1nc([C@H]2CN(CCO2)C(=O)C=C)c2c(F)cncc12 |r|
Fc1cccc(F)c1Oc1ccc(cc1)-n1nc([C@@H]2CN(CCO2)C(=O)C=C)c2c(F)cncc12 |r|
Fc1ccc(F)c(Oc2ccc(cc2)-n2nc([C@@H]3CCCN(C3)C(=O)C=C)c3c(F)cncc23)c1 |r|
Fc1cc(F)c(F)c(Oc2ccc(cc2)-n2nc([C@@H]3CCCN(C3)C(=O)C=C)c3c(F)cncc23)c1 |r|
Fc1ccc(F)c(Oc2ccc(cc2)-n2nc([C@H]3CCCN(C3)C(=O)C=C)c3c(F)cncc23)c1 |r|
Fc1cc(F)c(F)c(Oc2ccc(cc2)-n2nc([C@H]3CCCN(C3)C(=O)C=C)c3c(F)cncc23)c1 |r|
Nc1nccc2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3ccccn3)c12)C1CC[C@H](CO)OC1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccc(F)cn3)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3ccccn3)c12)C1CC[C@@H](CO)OC1 |r|
Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc(C3CCC(CO)OC3)n3ccnc(N)c23)c1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CC[C@H](CO)OC1 |r|
Nc1cccc(NC(=O)c2ccc(cc2)-c2nc(C3CCC(CO)OC3)n3ccnc(N)c23)n1
Nc1cccc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@@H](CO)OC3)n3ccnc(N)c23)n1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cccc(Br)n3)c12)C1CCC(CO)OC1
Nc1cccc(NC(=O)c2ccc(cc2)-c2nc([C@H]3CC[C@@H](CO)OC3)n3ccnc(N)c23)n1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccc(cn3)C(F)(F)F)c12)C1CCC(CO)OC1
Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCC(CO)OC1
COCCOc1ccc(cc1)-c1nc(C2CCC(CO)OC2)n2ccnc(N)c12
Nc1ncc(Cl)n2c(nc(-c3ccc(cc3F)C(=O)Nc3ccccn3)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(Oc4cccc(OC(F)F)c4F)cc3)c12)C1CCC(CO)OC1
COc1cccc(Oc2ccc(cc2)-c2nc(C3CCC(CO)OC3)n3ccnc(N)c23)c1F
COc1c(F)cccc1Oc1ccc(cc1)-c1nc(C2CCC(CO)OC2)n2ccnc(N)c12
Nc1nccn2c(nc(-c3ccc(Oc4cccc(OC(F)(F)F)c4F)cc3)c12)C1CCC(CO)OC1
Cc1ccc(Oc2ccc(cc2)-c2nc(C3CCC(CO)OC3)n3ccnc(N)c23)c(F)c1
Cc1ccc(Oc2ccc(cc2)-c2nc(C3CCC(CO)OC3)n3ccnc(N)c23)cc1
Nc1nccn2c(nc(-c3ccc(Oc4cccc(F)c4F)cc3)c12)C1CCC(CO)OC1
COc1cccc(NC(=O)c2ccc(cc2)-c2nc(C3CCC(CO)OC3)n3ccnc(N)c23)c1F
Nc1nccn2c(nc(-c3ccc(Oc4cccc(Cl)c4F)cc3)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3cnc(Oc4cccc(Cl)c4)nc3)c12)C1CCC(CO)OC1
COc1cccc(Oc2ccc(-c3nc(C4CCC(CO)OC4)n4ccnc(N)c34)c(F)c2)c1F
COc1cccc(Oc2ccc(cc2)-c2nc(C3COC4C(O)COC34)n3ccnc(N)c23)c1F
COc1cccc(Oc2ccc(-c3nc(C4CCC(CO)OC4)n4c(Cl)cnc(N)c34)c(F)c2)c1F
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1COC2C(O)COC12
COc1cccc(Oc2ccc(cc2)-c2nc(C3CCC(CO)OC3)n3c(Cl)cnc(N)c23)c1F
Nc1nccn2c(nc(-c3ccc(Oc4ccc5CCOc5c4F)cc3)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(Oc4cccc(OC(F)(F)F)c4F)cc3F)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(Oc4ccc5OCOc5c4F)cc3)c12)C1CCC(CO)OC1
Nc1ncc(Cl)n2c(nc(-c3ccc(Oc4cccc(OC(F)(F)F)c4F)cc3)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccc(c3F)C(F)(F)F)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(Oc4cccc(OC5CC5)c4F)cc3)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ncccc3F)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(CO)OC1
COc1ccccc1Oc1ccc(cc1)-c1nc(C2CCC(CO)OC2)n2ccnc(N)c12
Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3F)c12)C1CCC(CO)OC1
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CC[C@H](CO)OC3)n3ccnc(N)c23)c1C#N |r|
Nc1nccn2c(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)C1CCC(CO)OC1
COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CC[C@@H](CO)OC3)n3ccnc(N)c23)c1C#N |r|
Nc1nccn2c(nc(-c3ccc(Oc4cccc(c4F)C(F)(F)F)cc3)c12)C1CCC(CO)OC1
COc1cccc(Oc2ccc(cc2)-c2nc(C3CCC(CO)OC3)n3ccncc23)c1F
COc1c(F)ccc(Oc2ccc(cc2)-c2nc(C3CCC(CO)OC3)n3ccnc(N)c23)c1F
Cc1cccc(Oc2ccc(cc2)-c2nc(n3ccnc(N)c23)C23CCC(CO)(CC2)OC3)c1F
COc1cc(Oc2ccc(cc2)-c2nc(C3CCC(CO)OC3)n3ccnc(N)c23)ccc1F
Nc1nccn2c(nc(-c3ccc(Oc4cccc(c4F)C(F)(F)F)cc3)c12)C12CCC(CO)(CC1)OC2
Nc1nccn2c(nc(-c3ccc(Oc4cccc(C5CC5)c4F)cc3)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(Oc4cccc(Cl)c4F)cc3)c12)C12CCC(CO)(CC1)OC2
Nc1nccn2c(nc(-c3ccc(Oc4cccc(OCC5CC5)c4F)cc3)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(Oc4cccc(OC(F)(F)F)c4F)cc3)c12)C12CCC(CO)(CC1)OC2
Cc1cccc(Oc2ccc(cc2)-c2nc(C3CCC(CO)OC3)n3ccnc(N)c23)c1F
COc1ccc(C#N)c(Oc2ccc(cc2)-c2nc(n3ccnc(N)c23)C23CCC(CO)(CC2)OC3)c1
Nc1nccn2c(nc(-c3ccc(Oc4ccc(cc4F)C4CC4)cc3)c12)C1CCC(CO)OC1
Cc1cccnc1NC(=O)c1ccc(cc1)-c1nc(C2CCC(CO)OC2)n2ccnc(N)c12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)c3ccccc3)c12)C1CCC(CO)OC1
COc1cccc(Oc2ccc(-c3nc(C4CCC(CO)OC4)n4ccnc(N)c34)c(F)c2)c1C#N
CC(O)(c1ccccc1)c1ccc(cc1)-c1nc(C2CCC(CO)OC2)n2ccnc(N)c12
NC(=O)c1ccccc1C(=O)c1ccc(cc1)-c1nc(C2CCC(CO)OC2)n2ccnc(N)c12
CNC(=O)c1cccc(Oc2ccc(cc2)-c2nc(C3CCC(CO)OC3)n3ccnc(N)c23)c1F
COc1cccc(Oc2ccc(cc2)-c2nc(C3CCC(CO)OC3)n3c(Cl)cnc(N)c23)c1C#N
COc1cccc(Oc2ccc(cc2)-c2nn(C3CCC(CO)OC3)c3ncnc(N)c23)c1F
COc1cccc(Oc2ccc(cc2)-c2nc(C3CCC(CO)OC3)n3ccnc(N)c23)c1
COc1cccc(Oc2ccc(cc2)-c2nn(C3CCC(CO)OC3)c3ccnc(N)c23)c1F
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)c3ccc(Cl)cc3)c12)C1CCC(CO)OC1
Cc1cc(NC(=O)c2ccc(cc2F)C2CC2)c(F)cc1-c1nc(C2CCC(CO)OC2)n2ccnc(N)c12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C#N)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3Cl)c12)C1CCC(CO)OC1
COc1cccc(Oc2ccc(cc2)-c2nc(C3CCC(CO)OC3)n3ccnc(N)c23)n1
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nc(C2CCC(CO)OC2)n2ccnc(N)c12
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C12CCC(CO)(CC1)OC2
Nc1nccn2c(nc(-c3ccc(Cc4ccccc4)cc3)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3ccccn3)c12)C12CCC(CO)(CC1)OC2
CNC(=O)c1cc(Oc2ccc(cc2)-c2nc(C3CCC(CO)OC3)n3ccnc(N)c23)ccn1
Nc1ncc(Cl)n2c(nc(-c3ccc(cc3F)C(=O)Nc3ccccn3)c12)C12CCC(CO)(CC1)OC2
Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCC(CO)OC1
COc1cccc(Oc2ccc(cc2)-c2nc(n3ccnc(N)c23)C23CCC(CO)(CC2)OC3)c1F
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H](CO)OC1 |r|
COc1cccc(Oc2ccc(-c3nc(n4ccnc(N)c34)C34CCC(CO)(CC3)OC4)c(F)c2)c1F
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@@H](CO)OC1 |r|
COc1cccc(Oc2ccc(cc2)-c2nc(n3c(Cl)cnc(N)c23)C23CCC(CO)(CC2)OC3)c1F
Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(Oc4cccc(OC(F)(F)F)c4F)cc3F)c12)C12CC(CO)(C1)OC2 |(2.87,-5.33,;3.9,-4.18,;5.41,-4.5,;6.44,-3.36,;5.96,-1.89,;4.46,-1.57,;3.69,-.24,;2.18,-.56,;2.02,-2.09,;.69,-2.86,;.69,-4.4,;-.65,-5.17,;-1.98,-4.4,;-3.31,-5.17,;-4.65,-4.4,;-5.98,-5.17,;-7.32,-4.4,;-7.32,-2.86,;-5.98,-2.09,;-5.98,-.55,;-7.32,.22,;-8.65,.99,;-6.55,1.55,;-8.09,-1.12,;-4.65,-2.86,;-3.31,-2.09,;-1.98,-2.86,;-.65,-2.09,;-.65,-.55,;3.43,-2.72,;4.31,1.17,;5.82,1.49,;5.98,3.02,;7.32,3.79,;7.32,5.33,;4.56,2.65,;4.57,3.64,;3.54,2.5,)|
Nc1nccn2c(nc(-c3ccc(cc3)C(F)(F)c3ccccc3)c12)C1CCC(CO)OC1
Nc1ncc(Cl)n2c(nc(-c3ccc(Oc4cccc(OC(F)(F)F)c4F)cc3F)c12)C12CC(CO)(C1)OC2 |(2.87,-5.33,;3.9,-4.18,;5.41,-4.5,;6.44,-3.36,;5.96,-1.89,;6.99,-.75,;4.46,-1.57,;3.69,-.24,;2.18,-.56,;2.02,-2.09,;.69,-2.86,;.69,-4.4,;-.65,-5.17,;-1.98,-4.4,;-3.31,-5.17,;-4.65,-4.4,;-5.98,-5.17,;-7.32,-4.4,;-7.32,-2.86,;-5.98,-2.09,;-5.98,-.55,;-7.32,.22,;-8.65,.99,;-6.55,1.55,;-8.09,-1.12,;-4.65,-2.86,;-3.31,-2.09,;-1.98,-2.86,;-.65,-2.09,;-.65,-.55,;3.43,-2.72,;4.31,1.17,;5.82,1.49,;5.98,3.02,;7.32,3.79,;7.32,5.33,;4.56,2.65,;4.57,3.64,;3.54,2.5,)|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C12CC(CO)(C1)OC2 |(3.54,-4.25,;4.57,-3.11,;6.08,-3.43,;7.11,-2.28,;6.63,-.82,;5.12,-.5,;4.35,.84,;2.85,.52,;2.69,-1.02,;1.35,-1.79,;1.35,-3.33,;.02,-4.1,;-1.31,-3.33,;-1.31,-1.79,;.02,-1.02,;-2.65,-4.1,;-2.65,-5.64,;-3.98,-3.33,;-5.31,-4.1,;-5.31,-5.64,;-6.65,-6.41,;-7.98,-5.64,;-7.98,-4.1,;-6.65,-3.33,;4.09,-1.64,;4.98,2.24,;6.49,2.56,;6.65,4.1,;7.98,4.87,;7.98,6.41,;5.16,3.7,;5.24,4.72,;4.21,3.58,)|
Nc1nccn2c(nc(-c3ccc(cc3F)C(F)(F)c3ccccc3)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3ccccn3)c12)C12CC(CO)(C1)OC2 |(3.54,-4.25,;4.57,-3.11,;6.08,-3.43,;7.11,-2.28,;6.63,-.82,;5.12,-.5,;4.35,.84,;2.85,.52,;2.69,-1.02,;1.35,-1.79,;1.35,-3.33,;.02,-4.1,;-1.31,-3.33,;-1.31,-1.79,;.02,-1.02,;.02,.52,;-2.65,-4.1,;-2.65,-5.64,;-3.98,-3.33,;-5.31,-4.1,;-5.31,-5.64,;-6.65,-6.41,;-7.98,-5.64,;-7.98,-4.1,;-6.65,-3.33,;4.09,-1.64,;4.98,2.24,;6.49,2.56,;6.65,4.1,;7.98,4.87,;7.98,6.41,;5.16,3.7,;5.24,4.72,;4.21,3.58,)|
Nc1nccn2c(nc(-c3ccc(cc3F)C(F)(F)c3ccccc3)c12)C12CCC(CO)(CC1)OC2
Nc1ncc(Cl)n2c(nc(-c3ccc(cc3F)C(=O)Nc3ccccn3)c12)C12CC(CO)(C1)OC2 |(3.54,-4.25,;4.57,-3.11,;6.08,-3.43,;7.11,-2.28,;6.63,-.82,;7.66,.33,;5.12,-.5,;4.35,.84,;2.85,.52,;2.69,-1.02,;1.35,-1.79,;1.35,-3.33,;.02,-4.1,;-1.31,-3.33,;-1.31,-1.79,;.02,-1.02,;.02,.52,;-2.65,-4.1,;-2.65,-5.64,;-3.98,-3.33,;-5.31,-4.1,;-5.31,-5.64,;-6.65,-6.41,;-7.98,-5.64,;-7.98,-4.1,;-6.65,-3.33,;4.09,-1.64,;4.98,2.24,;6.49,2.56,;6.65,4.1,;7.98,4.87,;7.98,6.41,;5.16,3.7,;5.24,4.72,;4.21,3.58,)|
COc1cccc(Oc2ccc(-c3nc(n4ccnc(N)c34)C34CCC(CO)(CC3)OC4)c(F)c2)c1C#N
COc1cccc(Oc2ccc(cc2)-c2nc(n3ccnc(N)c23)C23CC(CO)(C2)OC3)c1F |(-4.65,.22,;-5.98,-.55,;-5.98,-2.09,;-7.32,-2.86,;-7.32,-4.4,;-5.98,-5.17,;-4.65,-4.4,;-3.31,-5.17,;-1.98,-4.4,;-.65,-5.17,;.69,-4.4,;.69,-2.86,;-.65,-2.09,;-1.98,-2.86,;2.02,-2.09,;2.18,-.56,;3.69,-.24,;4.46,-1.57,;5.96,-1.89,;6.44,-3.36,;5.41,-4.5,;3.9,-4.18,;2.87,-5.33,;3.43,-2.72,;4.31,1.17,;5.82,1.49,;5.98,3.02,;7.32,3.79,;7.32,5.33,;4.56,2.65,;4.57,3.64,;3.54,2.5,;-4.65,-2.86,;-3.31,-2.09,)|
COc1cccc(Oc2ccc(cc2)-c2nc(n3ccnc(N)c23)C23CCC(CO)(CC2)OC3)c1C#N
Nc1nccn2c(nc(-c3ccc(NC(=O)c4ccc(cc4F)C4CC4)cc3)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CO)(CC1)OC2
CC(N)(c1ccccc1)c1ccc(cc1)-c1nc(C2CCC(CO)OC2)n2ccnc(N)c12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CO)(CC1)OC2
Nc1nccn2c(nc(-c3ccc(Nc4ccccc4)cc3)c12)C1CCC(CO)OC1
COc1cccc(Oc2ccc(cc2)-c2nc(C3CCC(CO)OC3)n3ccnc(N)c23)c1C(F)(F)F
C[C@](N)(c1ccc(F)cc1)c1cnc(nc1)-c1nc(C2CCC(CO)OC2)n2ccnc(N)c12
COc1ccc(CN(Cc2ccc(OC)cc2)c2nccc3n(C4CCC(CO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)OC4)c(=O)n(-c4ccc(Oc5ccccc5)cc4)c23)cc1
COc1cccc(Oc2ccc(cc2)-c2nc(C3CCC(OC3)C3(O)CC3)n3ccnc(N)c23)c1F
COc1cccc(c1)C(F)(F)c1ccc(cc1)-c1nc(C2CCC(CO)OC2)n2ccnc(N)c12
COc1cccc(Oc2ccc(cc2)-c2nc(C3CCC(OC3)C(C)(C)O)n3ccnc(N)c23)c1F
COc1cccc(Oc2ccc(cc2)-c2nc(n3c(Cl)cnc(N)c23)C23CCC(CO)(CC2)OC3)c1C#N
COc1cccc(Oc2ccc(cc2)-c2nn(C3CCC(CO)OC3)c3c(Cl)cnc(N)c23)c1F
COc1cccc(c1C#N)C(F)(F)c1ccc(cc1)-c1nc(C2CCC(CO)OC2)n2ccnc(N)c12
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(cc3)C(F)(F)c3cc(ccn3)C(F)(F)F)c12)C1CCC(CO)OC1
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3F)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(cc3)C(F)(F)c3ccccc3)c12)C12CCC(CO)(CC1)OC2
Nc1nccn2c(nc(-c3ccc(OCc4ccccc4)cc3)c12)C1CCC(CO)OC1
COc1cccc(c1F)C(F)(F)c1ccc(cc1)-c1nc(C2CCC(CO)OC2)n2ccnc(N)c12
Nc1nccn2c(nc(-c3cnc(Nc4cccc(OC(F)(F)F)c4)nc3)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(cc3)C(F)(F)c3cccc(F)c3F)c12)C1CCC(CO)OC1
Nc1nccc2n(nc(-c3ccc(cc3F)C(=O)Nc3ccccn3)c12)C1CCC(CO)OC1
Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CO)(CC1)OC2 |(2.61,2.04,;.97,1.81,;.97,3.35,;-.37,4.12,;-1.7,3.35,;-2.06,5.05,;-1.7,1.81,;-2.84,.78,;-2.22,-.62,;-.69,-.46,;.34,-1.61,;-.13,-3.07,;.9,-4.22,;2.41,-3.9,;2.88,-2.43,;1.85,-1.29,;3.55,-5.06,;3.05,-6.61,;5.18,-5.22,;6.08,-3.97,;7.61,-4.13,;8.51,-2.88,;7.88,-1.47,;6.35,-1.32,;5.45,-2.57,;10.05,-3.03,;11.58,-3.19,;9.89,-4.57,;10.2,-1.5,;-.37,1.04,;-4.66,1.41,;-3.6,2.5,;-4.9,2.34,;-5.77,1.11,;-4.03,.55,;-2.86,1.82,;-5.42,-.49,;-4,-.56,;-7.4,1.5,;-6.2,1.73,)|
COc1cccc(NC(=O)c2ccc(cc2)-c2nc(C3CCC(CO)OC3)n3ccnc(N)c23)n1
COc1cccc(c1F)C(F)(F)c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CO)(CC1)OC2
Nc1nccn2c(nc(-c3ccc(Oc4cccnc4F)cc3)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(cc3)C(F)(F)c3cccc(F)c3F)c12)C12CCC(CO)(CC1)OC2
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2CC[C@H](CO)OC2)c2ncnc(N)c12 |r|
CC(C)(c1ccccc1)c1ccc(cc1)-c1nc(C2CCC(CO)OC2)n2ccnc(N)c12
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2CC[C@@H](CO)OC2)c2ncnc(N)c12 |r|
COc1cccc(c1)C(F)(F)c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CO)(CC1)OC2
COc1cccc(C(=O)c2ccc(cc2)-c2nc(C3CCC(CO)OC3)n3ccnc(N)c23)c1F
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccc3F)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)c3ccccc3Cl)c12)C1CCC(CO)OC1
COc1cccc(Oc2ccc(cc2)-c2nc(C3CCC(CO)OC3)n3c(C)cnc(N)c23)c1F
Nc1nccn2c(nc(-c3ccc(cc3)C(O)c3ccccc3Cl)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C#N)c12)C12CC(CO)(C1)OC2
Nc1nccn2c(nc(-c3ccc(Oc4c(F)cccc4F)cc3)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CC(CO)(C1)OC2
Nc1ccccc1C(=O)c1ccc(cc1)-c1nc(C2CCC(CO)OC2)n2ccnc(N)c12
COc1cccc(Oc2ccc(cc2)-c2nc(n3ccnc(N)c23)C23CC(CO)(C2)OC3)c1C#N |(-4.65,.22,;-5.98,-.55,;-5.98,-2.09,;-7.32,-2.86,;-7.32,-4.4,;-5.98,-5.17,;-4.65,-4.4,;-3.31,-5.17,;-1.98,-4.4,;-.65,-5.17,;.69,-4.4,;.69,-2.86,;-.65,-2.09,;-1.98,-2.86,;2.02,-2.09,;2.18,-.56,;3.69,-.24,;4.46,-1.57,;5.96,-1.89,;6.44,-3.36,;5.41,-4.5,;3.9,-4.18,;2.87,-5.33,;3.43,-2.72,;4.31,1.17,;5.82,1.49,;5.98,3.02,;7.32,3.79,;7.32,5.33,;4.71,2.65,;4.57,3.64,;3.54,2.5,;-4.6,-2.83,;-3.27,-2.06,;-1.93,-1.29,)|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)c3ccccc3O)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(cc3)C(F)(F)c3ccccc3)c12)C12CC(CO)(C1)OC2 |(2.87,-4.74,;3.9,-3.59,;5.41,-3.91,;6.44,-2.77,;5.96,-1.31,;4.46,-.99,;3.69,.35,;2.18,.03,;2.02,-1.5,;.69,-2.27,;.69,-3.81,;-.65,-4.58,;-1.98,-3.81,;-1.98,-2.27,;-.65,-1.5,;-3.31,-4.58,;-4.08,-5.92,;-2.54,-5.92,;-4.65,-3.81,;-4.65,-2.27,;-5.98,-1.5,;-7.32,-2.27,;-7.32,-3.81,;-5.98,-4.58,;3.43,-2.13,;4.31,1.76,;5.82,2.08,;5.98,3.61,;7.32,4.38,;7.32,5.92,;4.71,3.24,;4.57,4.23,;3.54,3.09,)|
CNc1ccccc1C(=O)c1ccc(cc1)-c1nc(C2CCC(CO)OC2)n2ccnc(N)c12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccc(Cl)cn3)c12)C1CCC(CO)OC1
Nc1nccn2c(nc(-c3ccc(cc3)C(F)(F)c3ccccc3)c12)[C@@H]1CC[C@H](CO)OC1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(F)(F)c3ccccc3)c12)[C@@H]1CC[C@@H](CO)OC1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(F)(F)c3ccc(F)c(Cl)c3)c12)C12CCC(CO)(CC1)OC2
Nc1nccn2c(nc(-c3ccc(cc3)C(F)(F)c3ccc(F)cc3)c12)C12CCC(CO)(CC1)OC2
Nc1nccn2c(nc(-c3ccc(cc3)C(F)(F)c3cccc(F)c3)c12)C12CCC(CO)(CC1)OC2
Nc1nccn2c(nc(-c3ccc(cc3)C(F)(F)c3cccc(c3)C3CC3)c12)C12CCC(CO)(CC1)OC2
COc1ccccc1C(F)(F)c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CO)(CC1)OC2
Nc1nccn2c(nc(-c3ccc(cc3)C(F)(F)c3cccc(Cl)c3F)c12)C12CCC(CO)(CC1)OC2
Nc1nccn2c(nc(-c3ccc(cc3)C(F)(F)c3ccccc3Cl)c12)C12CCC(CO)(CC1)OC2
CC#CC(=O)N1CC[C@H](C1)N2c3c(c(ncn3)N)N(C2=O)c4ccc(cc4)Oc5ccccc5
CS(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)NCCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
CN(CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(=O)c1c(F)c(F)c(F)c(F)c1S(N)(=O)=O
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CN(C1)C(=O)c1c(F)c(F)c(F)c(F)c1S(N)(=O)=O
Nc1ncnc2n(CCNC(=O)c3c(F)c(F)c(F)c(F)c3S(N)(=O)=O)nc(-c3ccc(Oc4ccccc4)cc3)c12
CS(=O)c1c(F)c(F)c(F)c(F)c1C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
C[S@](=O)c1c(F)c(F)c(F)c(F)c1C(=O)N1CC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Nc1ncnc2n(CCCNC(=O)c3c(F)c(F)c(F)c(F)c3S(N)(=O)=O)nc(-c3ccc(Oc4ccccc4)cc3)c12
CN(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)NCCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4[S@](C)=O)c3)n2)cc1 |r|
CS(=O)(=O)c1c(F)c(F)c(F)c(F)c1CNCCNc1ncnc2[nH]ccc12
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NS(=O)(=O)c4c(F)c(F)c(F)c(F)c4C(F)(F)F)c3)n2)cc1
Nc1nccc2n([C@@H]3C[C@@H](O)CN(C3)C(=O)C=C)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Nc1nccc2n([C@@H]3CCCN(C3)C(=O)C(O)CO)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12 |r,w:15.16|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4ccccc4)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4cccs4)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4ccc[nH]4)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4ccccn4)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4ccccc4Cl)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4cccc(Cl)c4)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4ccc(Cl)cc4)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4cccc(c4)C(=O)NCC(F)(F)F)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4ccc(cc4)C(F)(F)F)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
COc1ccc(cc1)C(=O)Nc1ccc(c2OCOc12)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(c2OCOc12)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
COc1ccc(cc1OC)C(=O)Nc1ccc(c2OCOc12)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
CN(C)c1ccc(cc1)C(=O)Nc1ccc(c2OCOc12)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
CN(C)c1ccc(cc1)C(=O)Nc1ccc(c2OCOc12)-c1nn(C2CCCN(C2)C(=O)C=C)c2ncnc(N)c12
CCN(CC)c1ccc(cc1)C(=O)Nc1ccc(c2OCOc12)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4sc5ccccc5c4Cl)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4cccc5ccccc45)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4ccc5ccccc5c4)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Cc1ccc(C(=O)Nc2ccc(c3OCOc23)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ccccc12 |r|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4cccc5CCCCc45)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2nn(C3CCN(CC3)C(=O)C=C)c(-c3ccc(NC(=O)Cc4ccccc4)c4OCOc34)c12 |(-.98,16.12,;-2.52,16.12,;-3.29,17.45,;-4.83,17.45,;-5.6,16.12,;-4.83,14.78,;-5.31,13.32,;-4.06,12.41,;-4.06,10.87,;-2.69,10.17,;-2.61,8.64,;-3.9,7.8,;-5.28,8.5,;-5.36,10.03,;-3.82,6.26,;-5.11,5.42,;-2.45,5.56,;-1.16,6.4,;-2.82,13.32,;-1.33,12.92,;-.24,14.01,;1.25,13.61,;1.64,12.12,;3.13,11.72,;4.22,12.81,;3.82,14.3,;5.71,12.41,;6.11,10.93,;4.96,9.9,;5.28,8.39,;6.75,7.91,;7.89,8.94,;7.57,10.45,;.56,11.03,;.64,9.5,;-.8,8.94,;-1.77,10.14,;-.93,11.43,;-3.29,14.78,)|
Nc1ncnc2nn(C3CCN(CC3)C(=O)C=C)c(-c3ccc(NC(=O)c4ccc(cc4)-c4ccccc4)c4OCOc34)c12 |(-.98,16.12,;-2.52,16.12,;-3.29,17.45,;-4.83,17.45,;-5.6,16.12,;-4.83,14.78,;-5.31,13.32,;-4.06,12.41,;-4.06,10.87,;-2.69,10.17,;-2.61,8.64,;-3.9,7.8,;-5.28,8.5,;-5.36,10.03,;-3.82,6.26,;-5.11,5.42,;-2.45,5.56,;-1.16,6.4,;-2.82,13.32,;-1.33,12.92,;-.24,14.01,;1.25,13.61,;1.64,12.12,;3.13,11.72,;4.22,12.81,;3.82,14.3,;5.71,12.41,;6.11,10.93,;7.59,10.53,;8.68,11.62,;8.28,13.1,;6.8,13.5,;10.17,11.22,;10.65,9.75,;12.15,9.43,;13.18,10.58,;12.71,12.04,;11.2,12.36,;.56,11.03,;.64,9.5,;-.8,8.94,;-1.77,10.14,;-.93,11.43,;-3.29,14.78,)|
COc1ccc(CS(=O)(=O)Nc2ccc(c3OCOc23)-c2n(nc3ncnc(N)c23)C2CCN(CC2)C(=O)C=C)cc1 |(6.5,5.39,;7.53,6.53,;7.06,8,;5.55,8.32,;5.08,9.78,;6.11,10.93,;5.71,12.41,;4.22,12.81,;3.82,14.3,;2.73,13.21,;3.13,11.72,;1.64,12.12,;1.25,13.61,;-.24,14.01,;-1.33,12.92,;-.93,11.43,;-1.77,10.14,;-.8,8.94,;.64,9.5,;.56,11.03,;-2.82,13.32,;-4.06,12.41,;-5.31,13.32,;-4.83,14.78,;-5.6,16.12,;-4.83,17.45,;-3.29,17.45,;-2.52,16.12,;-.98,16.12,;-3.29,14.78,;-4.06,10.87,;-2.69,10.17,;-2.61,8.64,;-3.9,7.8,;-5.28,8.5,;-5.36,10.03,;-3.82,6.26,;-5.11,5.42,;-2.45,5.56,;-1.16,6.4,;7.61,10.61,;8.09,9.14,)|
Nc1ncnc2nn(C3CCN(CC3)C(=O)C=C)c(-c3ccc(NS(=O)(=O)c4ccc5ccccc5c4)c4OCOc34)c12 |(-.98,16.12,;-2.52,16.12,;-3.29,17.45,;-4.83,17.45,;-5.6,16.12,;-4.83,14.78,;-5.31,13.32,;-4.06,12.41,;-4.06,10.87,;-2.69,10.17,;-2.61,8.64,;-3.9,7.8,;-5.28,8.5,;-5.36,10.04,;-3.82,6.26,;-5.11,5.42,;-2.45,5.56,;-1.16,6.4,;-2.82,13.32,;-1.33,12.92,;-.24,14.01,;1.25,13.61,;1.64,12.12,;3.13,11.72,;4.22,12.81,;3.82,14.3,;2.73,13.21,;5.71,12.42,;6.74,13.56,;8.24,13.24,;8.72,11.77,;10.23,11.45,;10.7,9.99,;9.67,8.85,;8.17,9.17,;7.69,10.63,;6.18,10.95,;.56,11.03,;.64,9.5,;-.8,8.94,;-1.77,10.14,;-.93,11.43,;-3.29,14.78,)|
CN(C)c1ccc(CS(=O)(=O)Nc2ccc(c3OCOc23)-c2n(nc3ncnc(N)c23)C2CCN(CC2)C(=O)C=C)cc1 |(6.5,5.39,;7.53,6.53,;9.04,6.21,;7.06,8,;5.55,8.32,;5.08,9.78,;6.11,10.93,;5.71,12.41,;4.22,12.81,;3.82,14.3,;2.73,13.21,;3.13,11.72,;1.64,12.12,;1.25,13.61,;-.24,14.01,;-1.33,12.92,;-.93,11.43,;-1.77,10.14,;-.8,8.94,;.64,9.5,;.56,11.03,;-2.82,13.32,;-4.06,12.41,;-5.31,13.32,;-4.83,14.78,;-5.6,16.12,;-4.83,17.45,;-3.29,17.45,;-2.52,16.12,;-.98,16.12,;-3.29,14.78,;-4.06,10.87,;-2.69,10.17,;-2.61,8.64,;-3.9,7.8,;-5.28,8.5,;-5.36,10.03,;-3.82,6.26,;-5.11,5.42,;-2.45,5.56,;-1.16,6.4,;7.61,10.61,;8.09,9.14,)|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4cc5cc(F)ccc5o4)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4cc5ccccc5s4)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
CN1CCN(CC1)c1cccc(c1)C(=O)Nc1ccc(c2OCOc12)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4cccc(CN5CCOCC5)c4)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
C[C@H]1O[C@@H]1C(=O)N1CC[C@@H]2[C@H]1C[C@]2(C)Oc1nc(cn2nccc12)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cn2nccc2c(OC2CCN(CC2)C(=O)C=C)n1
Cn1cc(cn1)-c1cn2nccc2c(O[C@H]2CCCN(C2)S(=O)(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(OC2CN(C2)C(=O)C=C)n1
C\C=C/S(=O)(=O)N1CC(C1)Oc1nc(cn2nccc12)-c1cnn(C)c1
C\C=C\S(=O)(=O)N1CCC[C@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cn2nccc2c(n1)N1CCCC(C1)NC(=O)C=C
CN(C1CCCN(C1)c1nc(cc2nccn12)-c1cnn(C)c1)C(=O)C#C
CN(C1CCCN(C1)c1nc(cn2nccc12)-c1cnn(C)c1)C(=O)C#C
Cn1cc(cn1)-c1cn2nccc2c(n1)N1CCCC[C@H]1CNC(=O)C#C |r|
Cn1cc(cn1)-c1cn2nccc2c(n1)N1CCCCC1CNC(=O)C=C
Cn1cc(cn1)-c1cn2nccc2c(O[C@H]2CCCN(CC2)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cc2nccn2c(O[C@@H]2CCCN(CC2)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cc2nccn2c(O[C@@H]2CCN(C2)C(=O)C#C)n1 |r|
Cn1cc(cn1)-c1cc2nccn2c(OC[C@H]2CCCN(C2)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cc2nccn2c(OC[C@@H]2CCCN(C2)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cc2nccn2c(OCC2CCN(C2)C(=O)C=C)n1
Cn1cc(cn1)-c1cc2nccn2c(OCC2CCN(CC2)C(=O)C=C)n1
Cn1cc(cn1)-c1cc2nccn2c(O[C@@H]2CCCN(C2)C(=O)C=C)n1 |r|
CC#CC(=O)N1CCC[C@H](COc2nc(cc3nccn23)-c2cnn(C)c2)C1 |r|
Cn1cc(cn1)-c1cc2nccn2c(OC2CCN(CC2)C(=O)C#C)n1
CC#CC(=O)N1CCC[C@@H](COc2nc(cc3nccn23)-c2cnn(C)c2)C1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@H]2CCCCN(C2)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@H]2COCCN(C2)C(=O)C=C)n1 |r|
Cc1nn(C)cc1-c1cn2nccc2c(O[C@H]2CCCN(CC2)C(=O)C=C)n1 |r|
Cn1cc(ccc1=O)-c1cn2nccc2c(O[C@H]2CCCN(CC2)C(=O)C=C)n1 |r|
COc1cc(ncn1)-c1cn2nccc2c(O[C@@H]2CCCN(CC2)C(=O)C=C)n1 |r|
Cc1coc(n1)-c1cn2nccc2c(O[C@@H]2CCCN(CC2)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cc(N2CC(NC(=O)OC(C)(C)C)C3(CC3)C2)c2ccnn2c1
Cn1cc(cn1)-c1cc(N2CC(CC(F)(F)C2)NC(=O)C=C)c2ccnn2c1
Cn1cc(cn1)-c1cn2nccc2c(CN2CCCN(CC2)C(=O)C=C)n1
CN(Cc1nc(cn2nccc12)-c1cnn(C)c1)C1CCCN(C1)C(=O)C=C
CN(C)C\C=C\C(=O)N[C@H]1CCC[C@H](C1)Oc1nc(cn2ncc(F)c12)-c1cnn(C)c1 |r|
CN([C@H]1COC[C@@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1)C(=O)C=C |r|
CN([C@H]1C[C@@](C1)(Oc1nc(cn2nccc12)-c1cnn(C)c1)C1CC1)C(=O)C=C |r,wU:4.6,wD:2.1,(6.31,-9.38,;6.31,-10.92,;4.98,-11.69,;3.49,-11.29,;3.09,-12.78,;4.58,-13.18,;1.76,-13.55,;1.76,-15.09,;3.09,-15.86,;3.09,-17.4,;1.76,-18.17,;.42,-17.4,;-1.04,-17.88,;-1.95,-16.63,;-1.04,-15.38,;.42,-15.86,;4.42,-18.17,;4.59,-19.7,;6.09,-20.02,;6.86,-18.69,;8.39,-18.53,;5.83,-17.54,;1.87,-11.84,;1.28,-10.42,;.34,-11.64,;7.64,-11.69,;7.64,-13.23,;8.98,-10.92,;10.31,-11.69,)|
C[C@@H]1[C@@H](C[C@]1(C)Oc1nc(cn2nccc12)-c1cnn(C)c1)N(C)C(=O)C=C |r|
C[C@H]1[C@H](C[C@]1(C)Oc1nc(cn2nccc12)-c1cnn(C)c1)N(C)C(=O)C=C |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@@]2(C)C[C@@H]3[C@H]2CCCN3C(=O)C=C)n1 |r|
CC#CC(=O)N(C)[C@@H]1CC[C@H]2C[C@]2(C1)Oc1nc(cn2nccc12)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cn2nccc2c(OC[C@]2(C)CN(CC(C)(C)O2)C(=O)C=C)n1 |r|
CC#CC(=O)N1CC(C)(C)O[C@@](C)(COc2nc(cn3nccc23)-c2cnn(C)c2)C1 |r|
CN([C@H]1CC[C@@H]1COc1nc(cn2nccc12)-c1cnn(C)c1)C(=O)C=C |r|
C\C=C\C(=O)Nc1cc(Oc2nc(cn3nccc23)-c2cnn(C)c2)ccc1C
Cn1cc(cn1)-c1cn2nccc2c(Oc2cccc(CNC(=O)C=C)c2)n1
CN(C\C=C\C(=O)Nc1cccc(Oc2nc(cn3nccc23)-c2cnn(C)c2)c1C)C1CCC1
CC(NC(=O)C=C)c1cccc(Oc2nc(cn3nccc23)-c2cnn(C)c2)c1C
CN([C@@H]1CC[C@@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1)C(=O)C=C |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@H]2C[C@H]3C[C@@H]2CN3C(=O)C=C)n1 |r|
CN(C1CCC2CN(CC12)C(=O)C=C)c1cc(cn2nccc12)-c1cnn(C)c1
Cn1cc(cn1)-c1cn2nccc2c(N[C@H]2CCCN(CC2)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@H]2C[C@@H]3C[C@H](C2)N(C3)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@H]2[C@@H]3CCN([C@@H]3C2(C)C)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@@H]2[C@@H]3CCN([C@@H]3C2(C)C)C(=O)C=C)n1 |r|
CN([C@@H]1CCC[C@@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1)C(=O)C=C |r|
CC#CC(=O)N(C)[C@@H]1CCC[C@@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1 |r|
CC#CC(=O)N[C@@H]1CCC[C@@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1 |r|
CN(CCCOc1nc(cn2nccc12)-c1cnn(C)c1)C(=O)C=C
CC(CCOc1nc(cn2nccc12)-c1cnn(C)c1)CN(C)C(=O)C=C
Cn1cc(cn1)-c1cn2nccc2c(O[C@]2(C)C[C@H]3[C@@H]2CCN3C(=O)C=C)n1 |r|
C[C@@H]1O[C@H]1C(=O)N1CC[C@@H]2[C@H]1C[C@@]2(C)Oc1nc(cn2nccc12)-c1cnn(C)c1 |r|
C[C@@H]1O[C@H]1C(=O)N1CC[C@H]2[C@@H]1C[C@@]2(C)Oc1nc(cn2nccc12)-c1cnn(C)c1 |r|
Cc1ncc(s1)-c1cn2nccc2c(O[C@]2(C)C[C@H]3[C@@H]2CCN3C(=O)C2=CCC2)n1 |r,t:29|
Cc1cnn2cc(nc(O[C@H]3C[C@H]4CN(C[C@@H]34)C(=O)C=C)c12)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cn2ncc(Cl)c2c(OC2CCCN(C[C@H]2F)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@H]2CC[C@]3(CCN(C3)C(=O)C=C)C2)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(OC2CC3(C2)CCN(CC3)C(=O)C=C)n1
Cn1cc(cn1)-c1cn2nccc2c(O[C@H]2CC3CN(C3C2)C(=O)C=C)n1 |r|
CNCC1(COc2nc(cn3nccc23)-c2cnn(C)c2)CC1
CN([C@H]1C[C@H](Oc2nc(cn3nccc23)-c2cnn(C)c2)C1(C)C)C(=O)C=C |r|
CC#CC(=O)N(C)[C@@H]1C[C@@H](C1)Oc1nc(-c2cnn(C)c2)c(F)n2nccc12 |r,wU:9.11,7.6,(6.8,5.32,;5.46,4.55,;4.13,3.78,;2.79,3.01,;2.79,1.47,;1.46,3.78,;1.46,5.32,;.13,3.01,;-1.36,3.41,;-1.76,1.92,;-.27,1.52,;-3.09,1.15,;-3.09,-.39,;-1.76,-1.16,;-1.76,-2.7,;-.43,-3.47,;-.26,-5,;1.24,-5.32,;2.01,-3.99,;3.5,-3.59,;.98,-2.84,;-3.09,-3.47,;-3.09,-5.01,;-4.43,-2.7,;-5.89,-3.17,;-6.8,-1.93,;-5.89,-.68,;-4.43,-1.16,)|
CC#CC(=O)N(CCF)[C@H]1C[C@@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1 |r,wU:9.8,wD:11.13,(6.8,4.94,;5.46,4.17,;4.13,3.4,;2.79,2.63,;2.79,1.09,;1.46,3.4,;1.46,4.94,;.13,5.71,;-1.21,4.94,;.13,2.63,;-.27,1.14,;-1.76,1.54,;-1.36,3.02,;-3.09,.77,;-3.09,-.77,;-1.76,-1.54,;-1.76,-3.08,;-3.09,-3.85,;-4.43,-3.08,;-5.89,-3.56,;-6.8,-2.31,;-5.89,-1.07,;-4.43,-1.54,;-.43,-3.85,;-.26,-5.39,;1.24,-5.71,;2.01,-4.37,;3.5,-3.97,;.98,-3.23,)|
Cn1cc(cn1)-c1cn2nccc2c(OC2CCN(CC2)C(=O)C#C)n1
Cn1cc(cn1)-c1cn2nccc2c(O[C@@H]2CCCN(C2)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@@H]2CCN(C2)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@@H]2CCN(C2)S(=O)(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(OC[C@H]2CCCN(C2)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(OC[C@H]2CCCN(C2)S(=O)(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(NCC2CCN(CC2)C(=O)C=C)n1
Cn1cc(cn1)-c1cn2nccc2c(n1)N1CCCC(C1)NC(=O)C#C
Cn1cc(cn1)-c1cn2nccc2c(n1)N1CCCC(C1)NC(=O)\C=C\CCl
Cn1cc(cn1)-c1cn2nccc2c(n1)N1CCCC(CNC(=O)C#C)C1
Cn1cc(cn1)-c1cn2nccc2c(O[C@H]2CCCN(CC2)S(=O)(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cc2nccn2c(O[C@H]2CCCN(CC2)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cc2nccn2c(O[C@H]2CCCN(CC2)C(=O)C#C)n1 |r|
Cn1cc(cn1)-c1cc2nccn2c(O[C@H]2CCCN(CC2)S(=O)(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cc2nccn2c(O[C@@H]2CCCN(CC2)C(=O)C#C)n1 |r|
Cn1cc(cn1)-c1cc2nccn2c(Oc2cccc(NC(=O)C=C)c2)n1
Cn1cc(cn1)-c1cc2nccn2c(OC[C@H]2CCCN(C2)C(=O)C#C)n1 |r|
Cn1cc(cn1)-c1cc2nccn2c(OC2CCCC(C2)NC(=O)C=C)n1
CC#CC(=O)NC1CCCC(C1)Oc1nc(cc2nccn12)-c1cnn(C)c1
Cn1cc(cn1)-c1cc2nccn2c(O[C@@H]2CCCN(C2)C(=O)C#C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@@H]2COCCN(C2)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@@H]2CCCCN(C2)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2ncnc2c(OC2CCCN(CC2)C(=O)C=C)n1
Cn1cc(cn1)-c1cn2ncc(c2c(O[C@@H]2CCCN(CC2)C(=O)C=C)n1)C(F)(F)F |r|
CN([C@H]1C[C@@H](C1)Oc1nc(cn2ncc(C(F)F)c12)-c1cnn(C)c1)C(=O)C=C |r,wU:2.1,wD:4.6,(3.29,5.32,;3.29,3.78,;1.95,3.01,;1.55,1.52,;.07,1.92,;.46,3.41,;-1.27,1.15,;-1.27,-.39,;.07,-1.16,;.07,-2.7,;-1.27,-3.47,;-2.6,-2.7,;-4.07,-3.17,;-4.97,-1.93,;-4.07,-.68,;-4.47,.8,;-3.38,1.89,;-4.86,2.29,;-2.6,-1.16,;1.4,-3.47,;1.56,-5,;3.07,-5.32,;3.84,-3.99,;5.32,-3.59,;2.81,-2.84,;4.62,3.01,;5.95,3.78,;4.62,1.47,;3.29,.7,)|
Cn1cc(cn1)-c1cc(O[C@@H]2CCCN(CC2)C(=O)C=C)n2ccnc2c1 |r|
Cc1nn(C)cc1-c1cn2ncnc2c(O[C@@H]2CCCN(CC2)C(=O)C=C)n1 |r|
C=CC(=O)N1CCC[C@H](CC1)Oc1nc(cn2nccc12)-c1ccccc1 |r|
Cc1nc(cs1)-c1cn2nccc2c(O[C@@H]2CCCN(CC2)C(=O)C=C)n1 |r|
Cc1cc(sn1)-c1cn2nccc2c(O[C@@H]2CCCN(CC2)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cc(OCCC2COCCN2C(=O)C=C)c2ccnn2c1
Cn1cc(cn1)-c1cc(OC2CC3CC2CC3NC(=O)C=C)c2ccnn2c1
Cn1cc(cn1)-c1cc(OC[C@H]2CN(CC(C)(C)O2)C(=O)C=C)c2ccnn2c1 |r|
CC#CC(=O)N1CC2(C1)CC(C)(C2)Oc1nc(cn2ncc(F)c12)-c1cnn(C)c1
Cn1cc(cn1)-c1cc(NC2CC3CC2CN3C(=O)C=C)c2ccnn2c1
CN(C)C\C=C\C(=O)N(C)[C@H]1CCC[C@H](C1)Oc1nc(cn2ncc(F)c12)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@H]2C[C@@H](C2)N(C2CC2)C(=O)C=C)n1 |r,wU:17.21,wD:15.16,(4.21,4.91,;2.68,4.75,;1.65,5.9,;.24,5.27,;.4,3.74,;1.91,3.42,;-1.09,6.04,;-2.43,5.27,;-3.76,6.04,;-5.22,5.57,;-6.13,6.81,;-5.22,8.06,;-3.76,7.58,;-2.43,8.35,;-2.43,9.89,;-1.09,10.66,;.4,10.26,;.79,11.75,;-.69,12.15,;2.13,12.52,;2.13,14.06,;2.9,15.39,;1.36,15.39,;3.46,11.75,;3.46,10.21,;4.8,12.52,;6.13,11.75,;-1.09,7.58,)|
CN([C@H]1C[C@](C1)(Oc1nc(cn2nccc12)-c1cnn(C)c1)C1CC1)C(=O)C=C |r,wU:4.6,2.1,(.96,4.09,;.96,2.55,;-.38,1.78,;-.77,.3,;-2.26,.7,;-1.86,2.18,;-3.6,-.07,;-3.6,-1.61,;-2.26,-2.38,;-2.26,-3.92,;-3.6,-4.69,;-4.93,-3.92,;-6.39,-4.4,;-7.3,-3.15,;-6.39,-1.91,;-4.93,-2.38,;-.93,-4.69,;-.77,-6.23,;.74,-6.55,;1.51,-5.21,;3.04,-5.05,;.48,-4.07,;-3.48,1.63,;-4.07,3.06,;-5.01,1.83,;2.29,1.78,;2.29,.24,;3.63,2.55,;4.96,1.78,)|
C[C@@H]1[C@@H](C[C@@]1(C)Oc1nc(cn2nccc12)-c1cnn(C)c1)N(C)C(=O)C=C |r|
C[C@@H]1[C@H](C[C@]1(C)Oc1nc(cn2nccc12)-c1cnn(C)c1)N(C)C(=O)C=C |r|
CC#CC(=O)N(C)[C@H]1CC[C@@H]2C[C@@]2(C1)Oc1nc(cn2nccc12)-c1cnn(C)c1 |r|
CC#CC(=O)N(C)[C@@H]1CC[C@@H]2C[C@@]2(C1)Oc1nc(cn2nccc12)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cn2nccc2c(OC[C@@]2(C)CN(CCO2)C(=O)C=C)n1 |r|
CC#CC(=O)N1CC(C)(C)O[C@](C)(COc2nc(cn3nccc23)-c2cnn(C)c2)C1 |r|
CC#CC(=O)N(C)[C@@H]1C[C@H]2C[C@H](Oc3nc(cn4nccc34)-c3cnn(C)c3)[C@@H]1C2 |r|
Cn1cc(cn1)-c1cn2nccc2c(OC23CC(C)(C2)N(C3)C(=O)C=C)n1 |(4.87,-3.48,;3.38,-3.88,;2.35,-2.74,;.95,-3.36,;1.11,-4.89,;2.61,-5.21,;-.39,-2.59,;-1.72,-3.36,;-3.05,-2.59,;-4.52,-3.07,;-5.42,-1.82,;-4.52,-.58,;-3.05,-1.05,;-1.72,-.28,;-1.72,1.26,;-.39,2.03,;-.23,3.56,;1.28,3.88,;2.05,5.21,;.89,2.41,;2.05,2.55,;1.02,1.4,;3.54,2.15,;4.63,3.24,;3.94,.66,;5.42,.26,;-.39,-1.05,)|
Cn1cc(cn1)-c1cn2nccc2c(OC23CCC(CC2)(C3)NC(=O)C=C)n1
CN(C(=O)C=C)c1ccc(F)c(Oc2nc(cn3nccc23)-c2cnn(C)c2)c1
Cc1c(NC(=O)C2=CCC2)cc(F)cc1Oc1nc(cn2nccc12)-c1cnn(C)c1 |t:6|
Fc1c(NC(=O)\C=C\C(F)(F)F)cccc1Oc1nc(cn2nccc12)-c1cnn(c1)C1CCOC1
CC#CC(=O)Nc1cncc(Oc2nc(cn3nccc23)-c2cnn(C)c2)c1
CN([C@@H]1C[C@@](C)(Oc2nc(cn3nccc23)-c2cnn(C)c2)C1(C)C)C(=O)C=C |r|
CN([C@H]1CC[C@@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1)C(=O)C=C |r|
CN(C)C\C=C\C(=O)N(CC(F)F)[C@H]1CC[C@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1 |r|
C[C@H]1O[C@@H]1C(=O)N[C@H]1CC[C@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1 |r|
CN([C@H]1CC[C@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1)C(=O)C1=CCC1 |r,t:29|
Cn1cc(cn1)-c1cn2nccc2c(O[C@@H]2C[C@@H]3C[C@H]2CN3C(=O)C=C)n1 |r|
CC#CC(=O)N[C@H]1C[C@](C)(C1)Oc1nc(cn2ncc(C)c12)-c1cnn(c1)C(F)(F)F |r,wU:8.11,6.5,wD:8.8,(6.8,5.32,;5.46,4.55,;4.13,3.78,;2.79,3.01,;2.79,1.47,;1.46,3.78,;.13,3.01,;-.27,1.52,;-1.76,1.92,;-3.09,2.69,;-1.36,3.41,;-3.09,1.15,;-3.09,-.39,;-1.76,-1.16,;-1.76,-2.7,;-3.09,-3.47,;-4.43,-2.7,;-5.89,-3.17,;-6.8,-1.93,;-5.89,-.68,;-6.29,.8,;-4.43,-1.16,;-.43,-3.47,;-.26,-5,;1.24,-5.32,;2.01,-3.99,;.98,-2.84,;3.5,-3.59,;4.59,-4.68,;3.9,-2.1,;5.04,-3.59,)|
CN(C(=O)C=C)[C@]1(C)C[C@@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1 |r,wU:9.11,6.5,wD:6.6,(3.3,-1.63,;3.3,-3.17,;4.63,-3.94,;4.63,-5.48,;5.96,-3.17,;5.96,-1.63,;1.96,-3.94,;2.36,-2.45,;.48,-3.54,;.08,-5.03,;1.56,-5.43,;-1.26,-5.8,;-1.26,-7.34,;.08,-8.11,;.08,-9.65,;-1.26,-10.42,;-2.59,-9.65,;-4.06,-10.12,;-4.96,-8.88,;-4.06,-7.63,;-2.59,-8.11,;1.41,-10.42,;1.57,-11.95,;3.08,-12.27,;3.85,-10.93,;5.34,-10.54,;2.82,-9.79,)|
CN(C(=O)C=C)[C@@]1(C)C[C@@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1 |r,wU:9.11,6.6,wD:6.5,(3.3,-1.63,;3.3,-3.17,;4.63,-3.94,;4.63,-5.48,;5.96,-3.17,;5.96,-1.63,;1.96,-3.94,;2.36,-2.45,;.48,-3.54,;.08,-5.03,;1.56,-5.43,;-1.26,-5.8,;-1.26,-7.34,;.08,-8.11,;.08,-9.65,;-1.26,-10.42,;-2.59,-9.65,;-4.06,-10.12,;-4.96,-8.88,;-4.06,-7.63,;-2.59,-8.11,;1.41,-10.42,;1.57,-11.95,;3.08,-12.27,;3.85,-10.93,;5.34,-10.54,;2.82,-9.79,)|
CC#CC(=O)N[C@H]1CC[C@H](C1)Oc1cc(cn2nccc12)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cc(NC[C@H]2[C@@H]3CN(C[C@H]23)C(=O)C=C)c2ccnn2c1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@@H]2[C@H]3CCN([C@H]3C2(C)C)C(=O)C=C)n1 |r|
CN([C@@H]1CC[C@@H](C1)Oc1nc(cn2ncc(-c3ccccc3)c12)-c1cnn(C)c1)C(=O)C=C |r|
CN(CCOc1nc(cn2nccc12)-c1cnn(C)c1)C(=O)C=C
Cn1cc(cn1)-c1cn2nccc2c(OC[C@]2(F)CCCN(C2)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(OCC2(C)CCN(CC2)C(=O)C=C)n1
C[C@H]1O[C@@H]1C(=O)N1CC[C@H]2[C@@H]1C[C@]2(C)Oc1nc(cn2nccc12)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@]2(C)C[C@H]3CN(C[C@@H]23)C(=O)C=C)n1 |r|
CN([C@H]1C[C@](C)(C1)Oc1nc(cc2nccn12)-c1cnn(C)c1)C(=O)\C=C\C(F)(F)F |r,wU:4.7,2.1,wD:4.4,(.79,5.32,;.79,3.78,;-.54,3.01,;-.94,1.52,;-2.43,1.92,;-3.2,3.26,;-2.03,3.41,;-3.76,1.15,;-3.76,-.39,;-2.43,-1.16,;-2.43,-2.7,;-3.76,-3.47,;-5.09,-2.7,;-6.56,-3.17,;-7.46,-1.93,;-6.56,-.68,;-5.09,-1.16,;-1.09,-3.47,;-.93,-5,;.58,-5.32,;1.35,-3.99,;2.83,-3.59,;.32,-2.84,;2.13,3.01,;2.13,1.47,;3.46,3.78,;4.8,3.01,;6.13,3.78,;7.46,3.01,;6.13,5.32,;4.8,4.55,)|
Cn1cc(cn1)-c1cn2nccc2c(O[C@@H]2CC[C@]3(CCN(C3)C(=O)C=C)C2)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@@H]2CC[C@@]3(CCN(C3)C(=O)C=C)C2)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@]2(C)C[C@@]3(C2)CCN(C3)C(=O)C=C)n1 |r,wU:15.16,18.19,wD:15.17,(3.58,4.31,;2.1,3.91,;1.07,5.06,;-.34,4.43,;-.18,2.9,;1.33,2.58,;-1.68,5.2,;-3.01,4.43,;-4.34,5.2,;-5.81,4.72,;-6.71,5.97,;-5.81,7.22,;-4.34,6.74,;-3.01,7.51,;-3.01,9.05,;-1.68,9.82,;-3.01,10.59,;-.19,9.42,;.21,10.91,;-1.28,11.31,;.37,12.44,;1.88,12.76,;2.65,11.43,;1.62,10.28,;4.14,11.03,;4.53,9.54,;5.22,12.12,;6.71,11.72,;-1.68,6.74,)|
Cn1cc(cn1)-c1cn2nccc2c(O[C@]2(C)C[C@]3(C2)CCN(C3)C(=O)C=C)n1 |r,wU:15.16,wD:18.19,15.17,(3.58,4.31,;2.1,3.91,;1.07,5.06,;-.34,4.43,;-.18,2.9,;1.33,2.58,;-1.68,5.2,;-3.01,4.43,;-4.34,5.2,;-5.81,4.72,;-6.71,5.97,;-5.81,7.22,;-4.34,6.74,;-3.01,7.51,;-3.01,9.05,;-1.68,9.82,;-3.01,10.59,;-.19,9.42,;.21,10.91,;-1.28,11.31,;.37,12.44,;1.88,12.76,;2.65,11.43,;1.62,10.28,;4.14,11.03,;4.53,9.54,;5.22,12.12,;6.71,11.72,;-1.68,6.74,)|
CN([C@@H]1C[C@@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1)C(=O)C=C |r,wU:4.6,2.1,(2.13,5.32,;2.13,3.78,;.79,3.01,;-.69,3.41,;-1.09,1.92,;.4,1.52,;-2.43,1.15,;-2.43,-.39,;-1.09,-1.16,;-1.09,-2.7,;-2.43,-3.47,;-3.76,-2.7,;-5.22,-3.17,;-6.13,-1.93,;-5.22,-.68,;-3.76,-1.16,;.24,-3.47,;.4,-5,;1.91,-5.32,;2.68,-3.99,;4.17,-3.59,;1.65,-2.84,;3.46,3.01,;3.46,1.47,;4.8,3.78,;6.13,3.01,)|
CN([C@H]1C[C@@](C)(C1)Oc1nc(cn2nccc12)-c1cnn(C)c1)C(=O)C=C |r,wU:4.4,2.1,wD:4.7,(.75,5.9,;1.52,4.56,;.75,3.23,;1.15,1.74,;-.34,1.34,;-.34,-.2,;-.73,2.83,;-1.67,.57,;-1.67,-.97,;-.34,-1.74,;-.34,-3.28,;-1.67,-4.05,;-3,-3.28,;-4.47,-3.75,;-5.37,-2.51,;-4.47,-1.26,;-3,-1.74,;1,-4.05,;1.16,-5.58,;2.67,-5.9,;3.44,-4.56,;4.92,-4.17,;2.4,-3.42,;3.06,4.56,;3.83,3.23,;3.83,5.9,;5.37,5.9,)|
CN([C@H]1CC(Oc2nc(cn3nccc23)-c2cnn(C)c2)C1(C)C)C(=O)C=C |r|
CN([C@@H]1C[C@@H](Oc2nc(cn3nccc23)-c2cnn(C)c2)C1(C)C)C(=O)C=C |r|
CN([C@H]1C[C@](C)(C1)Oc1nc(cn2nccc12)-c1cnn(C)c1)C(=O)C1=CCC1 |r,wU:4.7,2.1,wD:4.4,t:29,(2.9,4.29,;2.13,2.95,;.59,2.95,;-.5,1.87,;-1.58,2.95,;-2.92,3.72,;-.5,4.04,;-2.92,2.18,;-2.92,.64,;-1.58,-.13,;-1.58,-1.67,;-2.92,-2.44,;-4.25,-1.67,;-5.72,-2.14,;-6.62,-.9,;-5.72,.35,;-4.25,-.13,;-.25,-2.44,;-.09,-3.97,;1.42,-4.29,;2.19,-2.95,;3.72,-2.79,;1.16,-1.81,;2.9,1.62,;2.13,.29,;4.44,1.62,;5.53,2.71,;6.62,1.62,;5.53,.53,)|
CN([C@H]1C[C@](C)(C1)Oc1nc(cn2nccc12)-c1cnn(C)c1)C(=O)C=C |r,wU:4.7,2.1,wD:4.4,(2.18,5.2,;2.18,3.66,;.85,2.89,;.2,1.49,;-1.2,2.14,;-2.29,3.22,;-.55,3.53,;-2.48,1.27,;-2.48,-.27,;-1.14,-1.04,;-1.14,-2.58,;-2.48,-3.35,;-3.81,-2.58,;-5.27,-3.05,;-6.18,-1.81,;-5.27,-.56,;-3.81,-1.04,;.19,-3.35,;.35,-4.88,;1.86,-5.2,;2.63,-3.87,;4.16,-3.71,;1.6,-2.72,;3.51,2.89,;3.51,1.35,;4.85,3.66,;6.18,2.89,)|
Cn1cc(cn1)-c1cn2nccc2c(OC2CCN(CC2)S(=O)(=O)C=C)n1
Cn1cc(cn1)-c1cn2nccc2c(O[C@@H]2CCCN(C2)S(=O)(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@@H]2CCCN(C2)C(=O)C#C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(OC2CCN(CC2)C(=O)\C=C/CCl)n1
Cn1cc(cn1)-c1cn2nccc2c(O[C@@H]2CCN(C2)C(=O)C#C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(OC[C@H]2CCCN(C2)C(=O)C#C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(NCC2CCN(CC2)S(=O)(=O)C=C)n1
Cn1cc(cn1)-c1cn2nccc2c(O[C@@H]2CCCN(CC2)S(=O)(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@@H]2CCCN(CC2)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@@H]2CCCN(CC2)C(=O)C#C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@H]2CCCN(CC2)C(=O)C#C)n1 |r|
Cn1cc(cn1)-c1cc2nccn2c(OC2CCCC(C2)NC(=O)C#C)n1
Cn1cc(cn1)-c1cn2ncc(C#N)c2c(OC2CCCN(CC2)C(=O)C=C)n1
CN([C@H]1C[C@@H](C1)Oc1nc(cn2ncc(C)c12)-c1cnn(C)c1)C(=O)C=C |r,wU:2.1,wD:4.6,(2.13,5.32,;2.13,3.78,;.79,3.01,;.4,1.52,;-1.09,1.92,;-.69,3.41,;-2.43,1.15,;-2.43,-.39,;-1.09,-1.16,;-1.09,-2.7,;-2.43,-3.47,;-3.76,-2.7,;-5.22,-3.17,;-6.13,-1.93,;-5.22,-.68,;-5.62,.8,;-3.76,-1.16,;.24,-3.47,;.4,-5,;1.91,-5.32,;2.68,-3.99,;4.17,-3.59,;1.65,-2.84,;3.46,3.01,;3.46,1.47,;4.8,3.78,;6.13,3.01,)|
Cn1cc(cn1)-c1cn2ncc(F)c2c(O[C@@H]2CCCN(CC2)C(=O)C=C)n1 |r|
CN([C@@H]1C[C@@H](C1)Oc1nc(cn2ncc(F)c12)-c1cnn(C)c1)C(=O)C=C |r,wD:4.6,2.1,(2.79,5.32,;2.79,3.78,;1.46,3.01,;1.06,1.52,;-.43,1.92,;-.03,3.41,;-1.76,1.15,;-1.76,-.39,;-.43,-1.16,;-.43,-2.7,;-1.76,-3.47,;-3.09,-2.7,;-4.56,-3.17,;-5.46,-1.93,;-4.56,-.68,;-4.96,.8,;-3.09,-1.16,;.91,-3.47,;1.07,-5,;2.58,-5.32,;3.35,-3.99,;4.83,-3.59,;2.32,-2.84,;4.13,3.01,;5.46,3.78,;4.13,1.47,;5.46,.7,)|
Cn1cc(cn1)-c1cc(O[C@@H]2CCCN(CC2)C(=O)C=C)c2ccnn2c1 |r|
Cn1cc(cn1)-c1cn2nc(N)cc2c(O[C@@H]2CCCN(CC2)C(=O)C=C)n1 |r|
CN([C@@H]1C[C@@H](C1)Oc1nc(cn2nc(N)cc12)-c1cnn(C)c1)C(=O)C=C |r,wD:4.6,2.1,(2.47,5.29,;2.87,3.81,;1.53,3.04,;1.13,1.55,;-.35,1.95,;.05,3.44,;-1.69,1.18,;-1.69,-.36,;-.35,-1.13,;-.35,-2.67,;-1.69,-3.44,;-3.02,-2.67,;-4.49,-3.15,;-5.39,-1.9,;-6.93,-1.9,;-4.49,-.66,;-3.02,-1.13,;.98,-3.44,;1.14,-4.97,;2.65,-5.29,;3.42,-3.96,;4.91,-3.56,;2.39,-2.82,;4.35,3.41,;4.75,1.92,;5.44,4.5,;6.93,4.1,)|
COc1cc(ccn1)-c1cn2nccc2c(OC2CCCN(CC2)C(=O)C=C)n1
Cc1ncc(s1)-c1cn2nccc2c(O[C@@H]2CCCN(CC2)C(=O)C=C)n1 |r|
CN([C@H]1C[C@](C)(C1)Oc1nc(cn2nccc12)-c1cnn(C)c1)C(=O)C=C |r,wU:4.7,2.1,wD:4.4,(3.61,4.29,;2.84,2.95,;1.3,2.95,;.21,1.87,;-.88,2.95,;-2.21,3.72,;.21,4.04,;-2.21,2.18,;-2.21,.64,;-.88,-.13,;-.88,-1.67,;-2.21,-2.44,;-3.55,-1.67,;-5.01,-2.14,;-5.92,-.9,;-5.01,.35,;-3.55,-.13,;.45,-2.44,;.61,-3.97,;2.12,-4.29,;2.89,-2.95,;4.38,-2.56,;1.86,-1.81,;3.61,1.62,;2.84,.29,;5.15,1.62,;5.92,2.95,)|
CN([C@H]1C[C@](C)(C1)Oc1nc(cn2nccc12)-c1cn[nH]c1)C(=O)C=C |r,wU:4.7,2.1,wD:4.4,(3.61,4.29,;2.84,2.95,;1.3,2.95,;.21,1.87,;-.88,2.95,;-2.21,3.72,;.21,4.04,;-2.21,2.18,;-2.21,.64,;-.88,-.13,;-.88,-1.67,;-2.21,-2.44,;-3.55,-1.67,;-5.01,-2.14,;-5.92,-.9,;-5.01,.35,;-3.55,-.13,;.45,-2.44,;.61,-3.97,;2.12,-4.29,;2.89,-2.95,;1.86,-1.81,;3.61,1.62,;2.84,.29,;5.15,1.62,;5.92,2.95,)|
Cn1cc(cn1)-c1cc(OC[C@@H]2[C@H]3C[C@@H]2CN(C3)C(=O)C=C)c2c(F)cnn2c1 |r|
CC#CC(=O)N(C)[C@H]1CCC[C@H](C1)Oc1nc(cn2ncc(F)c12)-c1cnn(C)c1 |r|
CC#CC(=O)N[C@H]1CC[C@H](C1)Oc1nc(cn2ncc(F)c12)-c1cnn(C)c1 |r|
CN([C@@H]1COC[C@@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1)C(=O)C=C |r|
CN(C(=O)C=C)C12CC(C1)(CC2)Oc1nc(cn2nccc12)-c1cnn(C)c1 |(4.17,-6.82,;3.54,-5.41,;4.45,-4.17,;3.82,-2.76,;5.98,-4.33,;6.6,-5.74,;2.01,-5.25,;.66,-4.92,;-.43,-5.77,;.98,-6.4,;-.27,-4.24,;1.24,-3.92,;-1.76,-6.54,;-1.76,-8.08,;-.43,-8.85,;-.43,-10.39,;-1.76,-11.16,;-3.1,-10.39,;-4.56,-10.87,;-5.47,-9.62,;-4.56,-8.38,;-3.1,-8.85,;.91,-11.16,;1.07,-12.69,;2.57,-13.01,;3.34,-11.68,;4.87,-11.52,;2.31,-10.54,)|
Cn1cc(cn1)-c1cn2nccc2c(O[C@H]2C[C@H](C2)N(C2CC2)C(=O)C=C)n1 |r,wU:17.21,15.16,(4.21,4.91,;2.68,4.75,;1.65,5.9,;.24,5.27,;.4,3.74,;1.91,3.42,;-1.09,6.04,;-2.43,5.27,;-3.76,6.04,;-5.22,5.57,;-6.13,6.81,;-5.22,8.06,;-3.76,7.58,;-2.43,8.35,;-2.43,9.89,;-1.09,10.66,;-.69,12.15,;.79,11.75,;.4,10.26,;2.13,12.52,;2.13,14.06,;2.9,15.39,;1.36,15.39,;3.46,11.75,;3.46,10.21,;4.8,12.52,;6.13,11.75,;-1.09,7.58,)|
C[C@H]1[C@@H](C[C@@]1(C)Oc1nc(cn2nccc12)-c1cnn(C)c1)N(C)C(=O)C=C |r|
C[C@H]1[C@H](C[C@@]1(C)Oc1nc(cn2nccc12)-c1cnn(C)c1)N(C)C(=O)C=C |r|
CC#CC(=O)N(C)[C@H]1CC[C@H]2C[C@]2(C1)Oc1nc(cn2nccc12)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cn2nccc2c(OC[C@]2(C)CN(CCO2)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(OC[C@@]2(C)CN(CC(C)(C)O2)C(=O)C=C)n1 |r|
[H]C12CC([H])(CN(C1)C(=O)C=C)C2COc1nc(cn2nccc12)-c1cnn(C)c1
Cn1cc(cn1)-c1cn2nccc2c(OC[C@H]2[C@H]3C[C@@H]2CN(C3)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(OC[C@@H]2[C@H]3C[C@@H]2CN(C3)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(Oc2cccc(NC(=O)C#CC3CC3)c2Cl)n1
CN[C@H]1C[C@@](C)(Oc2nc(cn3nccc23)-c2cnn(C)c2)C1(C)C |r|
CN([C@H]1C[C@@](C)(Oc2nc(cn3nccc23)-c2cnn(C)c2)C1(C)C)C(=O)C=C |r|
CN([C@H]1CC[C@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1)C(=O)C=C |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@@H]2CC[C@@H](C2)N(CC(F)F)C(=O)C=C)n1 |r|
CN([C@H]1CC[C@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1)C(=O)\C=C\C#N |r|
CN([C@@H]1C[C@@H](C1)Oc1nc(cn2nccc12)-c1cnn(c1)[C@@H]1CCOC1)C(=O)C=C |r,wU:4.6,21.24,2.1,(2.38,-2.67,;2.38,-4.21,;1.05,-4.98,;-.44,-4.58,;-.84,-6.07,;.65,-6.47,;-2.17,-6.84,;-2.17,-8.38,;-.84,-9.15,;-.84,-10.69,;-2.17,-11.46,;-3.51,-10.69,;-4.97,-11.16,;-5.88,-9.92,;-4.97,-8.67,;-3.51,-9.15,;.5,-11.46,;.66,-12.99,;2.16,-13.31,;2.93,-11.98,;1.9,-10.83,;4.42,-11.58,;5.55,-12.63,;6.89,-11.88,;6.6,-10.37,;5.07,-10.18,;3.72,-4.98,;3.72,-6.52,;5.05,-4.21,;5.05,-2.67,)|
CN([C@@H]1C[C@@H](C1)Oc1nc(cn2nccc12)-c1cnn(c1)[C@H]1CCOC1)C(=O)C=C |r,wU:4.6,2.1,wD:21.24,(2.38,-2.67,;2.38,-4.21,;1.05,-4.98,;-.44,-4.58,;-.84,-6.07,;.65,-6.47,;-2.17,-6.84,;-2.17,-8.38,;-.84,-9.15,;-.84,-10.69,;-2.17,-11.46,;-3.51,-10.69,;-4.97,-11.16,;-5.88,-9.92,;-4.97,-8.67,;-3.51,-9.15,;.5,-11.46,;.66,-12.99,;2.16,-13.31,;2.93,-11.98,;1.9,-10.83,;4.42,-11.58,;5.55,-12.63,;6.89,-11.88,;6.6,-10.37,;5.07,-10.18,;3.72,-4.98,;3.72,-6.52,;5.05,-4.21,;5.05,-2.67,)|
Cn1cc(cn1)-c1cn2nccc2c(N[C@@H]2CCCN(CC2)C(=O)C=C)n1 |r|
CC#CC(=O)N[C@H]1CCC[C@H](C1)Oc1nc(cn2nccc12)-c1cnn(c1)[C@@H]1CCOC1 |r|
CC#CC(=O)N[C@H]1CCC[C@H](C1)Oc1nc(cn2nccc12)-c1cnn(c1)[C@H]1CCOC1 |r|
Cn1cc(cn1)-c1cn2ncc(C3CC3)c2c(O[C@]2(C)C[C@@H](C2)NC(=O)C=C)n1 |r,wU:18.20,21.26,wD:18.21,(4.46,-2.82,;2.97,-3.22,;1.94,-2.07,;.53,-2.7,;.69,-4.23,;2.2,-4.55,;-.8,-1.93,;-2.13,-2.7,;-3.47,-1.93,;-4.93,-2.4,;-5.84,-1.16,;-4.93,.09,;-5.33,1.57,;-4.93,3.06,;-6.42,2.66,;-3.47,-.39,;-2.13,.38,;-2.13,1.92,;-.8,2.69,;-2.13,3.46,;.69,2.29,;1.09,3.78,;-.4,4.18,;2.42,4.55,;3.75,3.78,;3.75,2.24,;5.09,4.55,;6.42,3.78,;-.8,-.39,)|
Cn1cc(cn1)-c1cn2nccc2c(O[C@@H]2C[C@H]3C[C@@H](C2)N(C3)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@H]2[C@H]3CCN([C@H]3C2(C)C)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@@H]2C[C@H]3CN(C[C@H]3C2)C(=O)C=C)n1 |r|
CN([C@H]1CCC[C@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1)C(=O)C=C |r|
CC#CC(=O)N(C)[C@H]1CCC[C@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1 |r|
CC#CC(=O)N[C@H]1CCC[C@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1 |r|
CN([C@H]1CCC[C@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1)C(=O)CCl |r|
CN([C@H]1C[C@@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1)C(=O)C=C |r,wU:2.1,wD:4.6,(2.13,5.32,;2.13,3.78,;.79,3.01,;.4,1.52,;-1.09,1.92,;-.69,3.41,;-2.43,1.15,;-2.43,-.39,;-1.09,-1.16,;-1.09,-2.7,;-2.43,-3.47,;-3.76,-2.7,;-5.22,-3.17,;-6.13,-1.93,;-5.22,-.68,;-3.76,-1.16,;.24,-3.47,;.4,-5,;1.91,-5.32,;2.68,-3.99,;4.17,-3.59,;1.65,-2.84,;3.46,3.01,;3.46,1.47,;4.8,3.78,;6.13,3.01,)|
Cc1ncc(s1)-c1cn2nccc2c(O[C@]2(C)C[C@@H](C2)NC(=O)C=C)n1 |r,wU:15.16,18.22,wD:15.17,(4.17,-2.82,;2.68,-3.22,;1.91,-4.55,;.4,-4.23,;.24,-2.7,;1.65,-2.07,;-1.09,-1.93,;-2.43,-2.7,;-3.76,-1.93,;-5.22,-2.4,;-6.13,-1.16,;-5.22,.09,;-3.76,-.39,;-2.43,.38,;-2.43,1.92,;-1.09,2.69,;-2.43,3.46,;.4,2.29,;.79,3.78,;-.69,4.18,;2.13,4.55,;3.46,3.78,;3.46,2.24,;4.8,4.55,;6.13,3.78,;-1.09,-.39,)|
Cn1cc(cn1)-c1cn2nccc2c(OC[C@@]2(F)CCCN(C2)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@@]2(C)C[C@@H]3[C@H]2CCN3C(=O)C=C)n1 |r|
Cc1cnn2cc(nc(O[C@@H]3C[C@@H]4CN(C[C@H]34)C(=O)C=C)c12)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@@]2(C)C[C@@H]3CN(C[C@H]23)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(O[C@@H]2CC3CN(C3C2)C(=O)C=C)n1 |r|
CN([C@H]1C[C@](C)(C1)Oc1nc(cn2ncc(F)c12)-c1cnn(C)c1)C(=O)C=C |r,wU:4.7,2.1,wD:4.4,(2.13,5.32,;2.13,3.78,;.79,3.01,;.4,1.52,;-1.09,1.92,;-2.43,2.69,;-.69,3.41,;-2.43,1.15,;-2.43,-.39,;-1.09,-1.16,;-1.09,-2.7,;-2.43,-3.47,;-3.76,-2.7,;-5.22,-3.17,;-6.13,-1.93,;-5.22,-.68,;-5.62,.8,;-3.76,-1.16,;.24,-3.47,;.4,-5,;1.91,-5.32,;2.68,-3.99,;4.17,-3.59,;1.65,-2.84,;3.46,3.01,;3.46,1.47,;4.8,3.78,;6.13,3.01,)|
Cn1cc(cn1)-c1cn2nccc2c(OC[C@H]2[C@@H]3CN(C[C@H]23)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(OC[C@@H]2[C@@H]3CN(C[C@H]23)C(=O)C=C)n1 |r|
Cn1cc(cn1)-c1cn2nccc2c(OC23CC(C2)(CCC3)NC(=O)C=C)n1 |(3.78,-3.04,;2.29,-3.44,;1.26,-2.3,;-.15,-2.92,;.01,-4.46,;1.52,-4.78,;-1.48,-2.15,;-2.82,-2.92,;-4.15,-2.15,;-5.61,-2.63,;-6.52,-1.38,;-5.61,-.14,;-4.15,-.61,;-2.82,.16,;-2.82,1.7,;-1.48,2.47,;-.15,1.7,;1.18,2.47,;-.15,3.24,;1.18,4.01,;-.15,4.78,;-1.48,4.01,;2.52,1.7,;3.85,2.47,;3.85,4.01,;5.19,1.7,;6.52,2.47,;-1.48,-.61,)|
CN(C(=O)C=C)C12CC(C1)(CCC2)Oc1nc(cn2nccc12)-c1cnn(C)c1 |(2.52,.16,;2.52,1.7,;3.85,2.47,;3.85,4.01,;5.19,1.7,;6.52,2.47,;1.18,2.47,;-.15,1.7,;-1.48,2.47,;-.15,3.24,;-1.48,4.01,;-.15,4.78,;1.18,4.01,;-2.82,1.7,;-2.82,.16,;-1.48,-.61,;-1.48,-2.15,;-2.82,-2.92,;-4.15,-2.15,;-5.61,-2.63,;-6.52,-1.38,;-5.61,-.14,;-4.15,-.61,;-.15,-2.92,;.01,-4.46,;1.52,-4.78,;2.29,-3.44,;3.78,-3.04,;1.26,-2.3,)|
Cn1cc(cn1)-c1cn2nccc2c(O[C@]2(C)C[C@@H](C2)N(CC(F)F)C(=O)C=C)n1 |r,wU:15.16,18.22,wD:15.17,(4.38,-3.89,;2.89,-4.29,;1.86,-3.14,;.45,-3.77,;.61,-5.3,;2.12,-5.62,;-.88,-3,;-2.21,-3.77,;-3.55,-3,;-5.01,-3.48,;-5.92,-2.23,;-5.01,-.98,;-3.55,-1.46,;-2.21,-.69,;-2.21,.85,;-.88,1.62,;-2.21,2.39,;.21,.53,;1.3,1.62,;.21,2.71,;2.84,1.62,;3.61,2.95,;2.84,4.29,;3.61,5.62,;1.3,4.29,;3.61,.29,;2.84,-1.05,;5.15,.29,;5.92,1.62,;-.88,-1.46,)|
CN([C@H]1C[C@@H](C1)Oc1nc(cn2nccc12)-c1cnn(C)c1)C(=O)\C=C\CCl |r,wU:2.1,wD:4.6,(.79,5.32,;.79,3.78,;-.54,3.01,;-.94,1.52,;-2.43,1.92,;-2.03,3.41,;-3.76,1.15,;-3.76,-.39,;-2.43,-1.16,;-2.43,-2.7,;-3.76,-3.47,;-5.09,-2.7,;-6.56,-3.17,;-7.46,-1.93,;-6.56,-.68,;-5.09,-1.16,;-1.09,-3.47,;-.93,-5,;.58,-5.32,;1.35,-3.99,;2.83,-3.59,;.32,-2.84,;2.13,3.01,;2.13,1.47,;3.46,3.78,;4.8,3.01,;6.13,3.78,;7.46,3.01,)|
Cn1cc(cn1)-c1cn2nccc2c(O[C@]2(C)C[C@@H](C2)NC(=O)C=C)n1 |r,wU:15.16,18.22,wD:15.17,(4.38,-2.43,;2.89,-2.83,;1.86,-1.69,;.45,-2.31,;.61,-3.85,;2.12,-4.17,;-.88,-1.54,;-2.21,-2.31,;-3.55,-1.54,;-5.01,-2.02,;-5.92,-.77,;-5.01,.47,;-3.55,-0,;-2.21,.77,;-2.21,2.31,;-.88,3.08,;-2.21,3.85,;.21,1.99,;1.3,3.08,;.21,4.17,;2.84,3.08,;3.61,1.74,;2.84,.41,;5.15,1.74,;5.92,3.08,;-.88,-0,)|
CN([C@H]1C[C@](C)(C1)Oc1nc(cn2ncc(C3CC3)c12)-c1cnn(C)c1)C(=O)C=C |r,wU:4.7,2.1,wD:4.4,(3.97,4.29,;3.2,2.95,;1.66,2.95,;.57,1.87,;-.52,2.95,;-1.86,3.72,;.57,4.04,;-1.86,2.18,;-1.86,.64,;-.52,-.13,;-.52,-1.67,;-1.86,-2.44,;-3.19,-1.67,;-4.65,-2.14,;-5.56,-.9,;-4.65,.35,;-5.13,1.81,;-4.81,3.32,;-6.28,2.84,;-3.19,-.13,;.81,-2.44,;.97,-3.97,;2.48,-4.29,;3.25,-2.95,;4.78,-2.79,;2.22,-1.81,;3.97,1.62,;3.2,.29,;5.51,1.62,;6.28,2.95,)|
Cn1cc(cn1)-c1cn2nccc2c(O[C@]2(C)C[C@@H](C2)NC(=O)\C=C\C(F)(F)F)n1 |r,wU:15.16,18.22,wD:15.17,(2.88,-2.79,;1.35,-2.95,;.32,-1.81,;-1.09,-2.44,;-.93,-3.97,;.58,-4.29,;-2.42,-1.67,;-3.75,-2.44,;-5.09,-1.67,;-6.55,-2.14,;-7.46,-.9,;-6.55,.35,;-5.09,-.13,;-3.75,.64,;-3.75,2.18,;-2.42,2.95,;-3.75,3.72,;-1.33,1.87,;-.24,2.95,;-1.33,4.04,;1.3,2.95,;2.07,1.62,;1.3,.29,;3.61,1.62,;4.38,2.95,;5.92,2.95,;6.69,4.29,;6.69,1.62,;7.46,2.95,;-2.42,-.13,)|
CN([C@H]1C[C@](C)(C1)Oc1nc(cn2nccc12)-c1cnn(C)c1)C(=O)\C=C\C(F)(F)F |r,wU:4.7,2.1,wD:4.4,(2.07,4.29,;1.3,2.95,;-.24,2.95,;-1.33,1.87,;-2.42,2.95,;-3.75,3.72,;-1.33,4.04,;-3.75,2.18,;-3.75,.64,;-2.42,-.13,;-2.42,-1.67,;-3.75,-2.44,;-5.09,-1.67,;-6.55,-2.14,;-7.46,-.9,;-6.55,.35,;-5.09,-.13,;-1.09,-2.44,;-.93,-3.97,;.58,-4.29,;1.35,-2.95,;2.88,-2.79,;.32,-1.81,;2.07,1.62,;1.3,.29,;3.61,1.62,;4.38,2.95,;5.92,2.95,;6.69,4.29,;6.69,1.62,;7.46,2.95,)|
CC#CC(=O)N(CC(F)F)[C@H]1C[C@](C)(C1)Oc1nc(cn2nccc12)-c1cnn(C)c1 |r,wU:12.15,10.9,wD:12.12,(7.07,.29,;5.53,.29,;3.99,.29,;2.45,.29,;1.68,-1.05,;1.68,1.62,;2.45,2.95,;1.68,4.29,;2.45,5.62,;.14,4.29,;.14,1.62,;-.95,.53,;-2.04,1.62,;-3.37,2.39,;-.95,2.71,;-3.37,.85,;-3.37,-.69,;-2.04,-1.46,;-2.04,-3,;-3.37,-3.77,;-4.7,-3,;-6.17,-3.48,;-7.07,-2.23,;-6.17,-.98,;-4.7,-1.46,;-.7,-3.77,;-.54,-5.3,;.97,-5.62,;1.74,-4.29,;3.27,-4.13,;.71,-3.14,)|
Cn1cc(cn1)-c1cn2nccc2c(O[C@@H]2C[C@@H]3CC[C@H]2N3C(=O)C=C)n1 |r,THB:22:21:19.18:15.16|
Cn1cc(cn1)-c1cn2nccc2c(O[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C=C)n1 |r,THB:22:21:19.18:15.16|
CC(=C)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
CCN(CC)CC(=C)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=C)CN1CCCCC1 |r|
CN(CC(=C)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)c1ccccc1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=C)CNCc1ccccc1 |r|
CN(C)c1cc[n+](CC(=C)C(=O)N2CCC[C@H](C2)n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc23)cc1 |r|
CC(=O)OCC(=C)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
COC(=O)OCC(=C)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=C)COc1ccccc1 |r|
Fc1cccc(Oc2ccc(cc2)-n2nc([C@H]3CCCN(C3)C(=O)C=C)c3c(F)cncc23)c1F |r|
COc1ccc(F)cc1C(=O)NCc1ccc(cc1)-n1c2c(N)nccc2n(C2CCCN(C2)C(=O)C=C)c1=O
Nc1nccc2n(C3CCCN(C3)C(=O)\C=C\CF)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12
Nc1nccc2n([C@@H]3CCN(C3)C(=O)\C=C/CF)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Nc1nccc2n([C@H]3CCN(C3)C(=O)\C=C/CF)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12 |r|
COc1cccc(Oc2ccc(cc2)-n2c3c(N)nccc3n(C3CCN(C3)C(=O)\C=C/CF)c2=O)c1F
Nc1nccc2n(C3CCCN(C3)C(=O)\C=C\CF)c(=O)n(-c3ccc(Oc4c(F)cccc4F)cc3)c12
Nc1nccc2n(C3CCCN(C3)C(=O)\C=C\CF)c(=O)n(-c3ccc(Oc4ccc(Br)cn4)cc3)c12
Nc1nccc2n(C3CCCN(C3)C(=O)\C=C\CF)c(=O)n(-c3ccc(Oc4ccc(Cl)cn4)cc3)c12
Nc1nccc2n(C3CCCN(C3)C(=O)\C=C\CF)c(=O)n(-c3ccc(Oc4ccc(F)cn4)cc3)c12
Nc1nccc2n(C3CCCN(C3)C(=O)\C=C\CF)c(=O)n(-c3ccc(Oc4ccccc4)c(F)c3)c12
Cc1cc(ccc1Oc1ccccc1)-n1c2c(N)nccc2n(C2CCCN(C2)C(=O)\C=C\CF)c1=O
Nc1nccc2n(C3CCCN(C3)C(=O)\C=C\CF)c(=O)n(-c3ccc(Oc4ccccc4)c(Cl)c3)c12
CC(C)n1cc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nn1
COCCN1CCN([C@@H](C)C1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1 |r|
CN1CCn2nc(Nc3nc(cn(C)c3=O)-c3ccnc(c3CO)-n3ccn4c5CC(C)(C)Cc5cc4c3=O)cc2C1=O
COCC(C)n1cc(Nc2nc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nn1
COCc1c(ccnc1-n1ccn2c3CC(C)(C)Cc3cc2c1=O)-c1cc(N(C)c2ccc(cn2)N2CCN(C[C@@H]2C)C2COC2)c(=O)n(C)c1 |r|
CC[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncn3c4CC(C)(C)Cc4cc3c2=O)nn1)C1COC1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCCN1C(=O)C=C |r|
CN(CCO)C\C=C\C(=O)N1CCCC[C@H]1n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCCN1C(=O)\C=C\c1c[nH]cn1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCCN1C(=O)\C=C\CN1CCOCC1 |r|
CN(C)C\C=C\C(=O)NC1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |(-7.19,-11.9,;-5.65,-11.9,;-4.88,-13.24,;-4.88,-10.57,;-3.34,-10.57,;-2.57,-9.24,;-1.03,-9.24,;-.26,-10.57,;-0,-8.09,;-.48,-6.63,;-1.98,-6.31,;-2.46,-4.84,;-1.43,-3.7,;.08,-4.02,;.55,-5.48,;-1.91,-2.23,;-1,-.99,;-1.91,.26,;-1.43,1.72,;.08,2.04,;.55,3.51,;-.48,4.65,;-0,6.12,;1.5,6.44,;2.53,5.29,;4.04,5.61,;4.52,7.08,;3.49,8.22,;1.98,7.9,;-1.98,4.33,;-2.46,2.87,;-3.37,-.22,;-4.7,.55,;-4.7,2.09,;-6.04,-.22,;-6.04,-1.76,;-4.7,-2.53,;-3.37,-1.76,)|
CN(C)C\C=C\C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
C=CC(=O)N5CCCC(n4nc(c2ccc(Oc1ccccc1)cc2)c3c(N)ncnc34)C5
C=CC(=O)N5CCC(n4nc(c2ccc(Oc1ccccc1)cc2)c3c(N)ncnc34)CC5
CN(C)C/C=C/C(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncc3c(c12)NC1(CCOC1)C(=O)N3
O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncc3c(c12)N[C@@]1(CCOC1)C(=O)N3
O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncc3c(c12)N[C@]1(CCOC1)C(=O)N3
CN1CCC2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c13)NC2=O
Cc1cc(Oc2ccccc2)ccc1C(=O)c1c[nH]c2ncc3c(c12)NC1(CCOC1)C(=O)N3C
CN1CC[C@]2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c13)NC2=O
CN1CC[C@@]2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c13)NC2=O
CC(=O)N1CCC2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c13)NC2=O
CN1CCC2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5cccc(F)c5)cc4Cl)c13)NC2=O
CN1CCC2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5cccc(F)c5)cc4Cl)c13)NC2=O
CN1CCC2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5cccc(F)c5)cc4Cl)c13)NC2=O
CN1CCC2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c13)N(C)C2=O
CC1(CO)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)NC1=O
CC(=O)N1CC[C@]2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c13)NC2=O
CC(=O)N1CC[C@@]2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c13)NC2=O
O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncc3c(c12)NC1(CCN(C(=O)C2CC2)C1)C(=O)N3
CN1CC2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c13)NC2=O
C[C@]1(CO)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)NC1=O
C[C@@]1(CO)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)NC1=O
CN1CCC2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5cc(C(F)(F)F)ccn5)cc4Cl)c13)NC2=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)NC1=O
COC[C@@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)NC1=O
O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncc3c(c12)NC1(CCOCC1)C(=O)N3
Cc1cc(Oc2ccccc2)ccc1C(=O)c1c[nH]c2ncc3c(c12)NC(C)(C)C(=O)N3CCO
O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncc3c(c12)N[C@]1(CCCOC1)C(=O)N3
O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncc3c(c12)N[C@@]1(CCCOC1)C(=O)N3
CN1CCC2(CC1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c13)NC2=O
CN(C)CCN1C(=O)C(C)(C)Nc2c1cnc1[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c21
O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncc3c(c12)NC1(CCOC1)CO3
CN1CCCC2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c13)NC2=O
CN1C(=O)C2(CCOCC2)Nc2c1cnc1[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c21
CC1(CO)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ncccc5C(F)(F)F)cc4Cl)c23)NC1=O
Cc5ccnc(Oc4ccc(C(O)c2c[nH]c3ncc1NC(=O)C(C)(CO)Nc1c23)c(Cl)c4)c5
COCC1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5cc(C(F)(F)F)ccn5)cc4Cl)c23)NC1=O
COCC1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5cc(C6CC6)ccn5)cc4Cl)c23)NC1=O
COCC1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5cc(C)ccn5)cc4F)c23)NC1=O
[2H]C([2H])([2H])OCC1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)NC1=O
CCOCC1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)NC1=O
COCC1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4F)c23)NC1=O
O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncc3c(c12)N[C@@]1(CC[C@H](O)C1)C(=O)N3
O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncc3c(c12)N[C@]1(CC[C@H](O)C1)C(=O)N3
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)N(C)C1=O
COC[C@@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)N(C)C1=O
COCC1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5cc(C)ccn5)cc4Cl)c23)NC1=O
O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncc3c(c12)N[C@@]1(CC[C@@H](O)C1)C(=O)N3
O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncc3c(c12)N[C@]1(CC[C@H](O)C1)C(=O)N3
O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncc3c(c12)N[C@]1(CC[C@@H](O)C1)C(=O)N3
O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncc3c(c12)N[C@@]1(CC[C@H](O)C1)C(=O)N3
[2H]C([2H])([2H])OC[C@@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)NC1=O
[2H]C([2H])([2H])OC[C@@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)NC1=O
CCOC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)NC1=O
CCOC[C@@]5(C)Nc3c(cnc4[nH]cc(C(=O)c2ccc(Oc1ccccc1)cc2Cl)c34)NC5=O
COC[C@@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4F)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4F)c23)NC1=O
COC[C@@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5cc(C)ccn5)cc4F)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5cc(C)ccn5)cc4F)c23)NC1=O
CO[C@@H]1CC[C@]2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c13)NC2=O
N#CC1CCC2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c13)NC2=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4cc(F)ccc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccccc4)c23)NC1=O
CC1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccccc4Cl)c23)NC1=O
[2H]C([2H])([2H])OC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)N(C)C1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(F)c(F)c4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4c(F)cccc4Cl)c23)NC1=O
CC1(C)COc2cnc3[nH]cc(C(=O)c4ccccc4Cl)c3c2N1
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccccc4Cl)c23)N=C1OC
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)NC1=S
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5cc(C)ccn5)cc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(O)c4ccc(Oc5cc(F)ccc5OC)cc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ncccc5Cl)cc4Cl)c23)NC1=O
COCC1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5cc(C)ccn5)cc4Cl)c23)N(C)C1=O
Cc1ccnc(Oc2ccc(C(=O)c3c[nH]c4ncc5c(c34)NC3(CCOCC3)C(=O)N5C)c(Cl)c2)c1
[2H]C([2H])([2H])OC[C@@]1(C([2H])([2H])[2H])Nc2c(cnc3[nH]cc(C(O)c4ccc(Oc5ccccc5)cc4Cl)c23)NC1=O
COC[C@@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5cc(C)ccn5)cc4Cl)c23)NC1=O
COC[C@@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5cc(C6CC6)ccn5)cc4Cl)c23)NC1=O
COC[C@@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5cc(C6CC6)ccn5)cc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5cccc(C)n5)cc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4)c23)NC1=O
COC1CCC2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5cc(C)ccn5)cc4Cl)c13)NC2=O
N#C[C@@H]1CC[C@]2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c13)NC2=O
N#C[C@H]1CC[C@@]2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c13)NC2=O
N#C[C@H]1CC[C@@]2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c13)NC2=O
N#C[C@H]1CC[C@@]2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c13)NC2=O
O=C1Nc2cnc3[nH]cc(C(O)c4ccc(Oc5ccccc5)cc4Cl)c3c2N[C@]12CC[C@@H](CO)OC2
O=C1Nc2cnc3[nH]cc(C(O)c4ccc(Oc5ccccc5)cc4Cl)c3c2N[C@]12CC[C@@H](CO)OC2
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5cc(C)cc(C)n5)cc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(O)c4ccc(Oc5cc(C)cc(C)n5)cc4F)c23)NC1=O
CO[C@H]1CCC2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c13)NC2=O
CO[C@H]1CC[C@]2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c13)NC2=O
CO[C@@H]1CCC2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c13)NC2=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5cccc(C#N)c5)cc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5nccc(C)c5F)cc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ncc(Oc5ccccc5)cc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5cc(Cl)cc(C)n5)cc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5cc(C)nc(Cl)c5)cc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccn5)cc4Cl)c23)NC1=O
CN(C)C1CCC2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c13)NC2=O
CO[C@H]1CCC2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c13)NC2=O
CO[C@@H]1CC[C@]2(C1)Nc1c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c13)NC2=O
C[C@@]1(COC(F)F)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ncccc5C)cc4Cl)c23)NC1=O
O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncc3c(c12)NC1(CCC(N2CCOCC2)C1)C(=O)N3
COCCN1C(=O)[C@](C)(COC)Nc2c1cnc1[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c21
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)N(CCO)C1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ncccc5F)cc4Cl)c23)NC1=O
[2H]C([2H])([2H])OC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ncccc5F)cc4Cl)c23)NC1=O
[2H]C([2H])([2H])OC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5nccc(C)c5F)cc4Cl)c23)NC1=O
COCC[C@@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)NC1=O
COCC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)NC1=O
[2H]C([2H])([2H])[C@@]1(COC)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)NC1=O
COCCOC[C@@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)NC1=O
COCCOC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5F)cc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5F)cc4F)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5cccc(F)c5)cc4Cl)c23)NC1=O
[2H]C([2H])([2H])OC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5F)cc4Cl)c23)NC1=O
[2H]C([2H])([2H])OC[C@]1(C([2H])([2H])[2H])Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)NC1=O
[2H]C([2H])([2H])OC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5cccc(F)c5)cc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5OC)cc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5Cl)cc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5cccc(OC)c5)cc4Cl)c23)NC1=O
CCOC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5cc(C)ccn5)cc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5c(F)cccc5OC)cc4Cl)c23)NC1=O
[2H]C([2H])([2H])OC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Cn5cccn5)cc4Cl)c23)NC1=O
[2H]C([2H])([2H])OC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Cn5ccc(C)n5)cc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5cccc(F)c5OC)cc4Cl)c23)NC1=O
[2H]C([2H])([2H])OC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Cn5ccc(C)n5)cc4Cl)c23)NC1=O
[2H]C([2H])([2H])OC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Cn5nccc5C)cc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(OC5CCCC5)cc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccccc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5c(OC)ccc(F)c5F)cc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5c(OC)ccc(F)c5F)cc4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(OC)cc4Cl)c23)NC1=O
[2H]C([2H])([2H])N1C(=O)[C@](C)(COC)Nc2c1cnc1[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c21
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(OC)c(F)c4Cl)c23)NC1=O
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(OC)c(F)c4Cl)c23)NC1=O
O=C(c1ccccc1Cl)c1c[nH]c2ncc3c(c12)NC1(CCOCC1)C(=O)N3
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccccc4Cl)c23)N=C1SC
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)N=C1SC
CCSC1=Nc2cnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c3c2N[C@@]1(C)COC
[2H]C([2H])([2H])Oc1c(F)cccc1Oc1ccc(C(=O)c2c[nH]c3ncc4c(c23)N[C@@](C)(COC)C(=O)N4)c(Cl)c1
COC[C@]1(C)Nc2c(cnc3[nH]cc(C(=O)c4ccc(Oc5cccc(Cl)c5)cc4Cl)c23)NC1=O
O=C1Nc2cnc3[nH]cc(C(O)c4ccc(Oc5ccccc5)cc4Cl)c3c2N[C@@]12CC[C@@H](CO)OC2
O=C1Nc2cnc3[nH]cc(C(O)c4ccc(Oc5ccccc5)cc4Cl)c3c2N[C@]12CC[C@H](CO)OC2
CN1C(=O)C(C)(CO)Nc2c1cnc1[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c21
CN1C(=O)[C@](C)(CO)Nc2c1cnc1[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c21
CN1C(=O)[C@@](C)(CO)Nc2c1cnc1[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c21
Cc6cc(c5cc(Nc4ccc(N3CCN(CCc2ccc(N1CCC(=O)NC1=O)cc2)C[C@@H]3C)cn4)ncn5)ccc6[C@@H](C)NC(=O)c7nc(C(C)(C)C)no7
Cc6cc(c5cc(Nc4ccc(N3CCN(CCc2ccc(N1CCC(=O)NC1=O)cc2)C[C@H]3C)cn4)ncn5)ccc6[C@@H](C)NC(=O)c7nc(C(C)(C)C)no7
Cc6cc(c5cc(Nc4ccc(N3CCN(CCc2ccc(N1CCC(=O)NC1=O)cc2)CC3)cn4)ncn5)ccc6[C@@H](C)NC(=O)c7nc(C(C)(C)C)no7
Cc6cc(c5cc(Nc4ccc(N3CCN(CCc2ccc(N1CCC(=O)NC1=O)c(F)c2)C[C@@H]3C)cn4)ncn5)ccc6[C@@H](C)NC(=O)c7nc(C(C)(C)C)no7
Cc6cc(c5cc(Nc4ccc(N3CCN(CCc2ccc(N1CCC(=O)NC1=O)c(F)c2)C[C@H]3C)cn4)ncn5)ccc6[C@@H](C)NC(=O)c7nc(C(C)(C)C)no7
CC[C@H]3CN(CCc2ccc(N1CCC(=O)NC1=O)cc2)CCN3c7ccc(Nc6cc(c5ccc([C@@H](C)NC(=O)c4nc(C(C)(C)C)no4)c(C)c5)ncn6)nc7
CC[C@H]3CN(CCc2ccc(N1CCC(=O)NC1=O)c(F)c2)CCN3c7ccc(Nc6cc(c5ccc([C@@H](C)NC(=O)c4nc(C(C)(C)C)no4)c(C)c5)ncn6)nc7
CC[C@@H]3CN(CCc2ccc(N1CCC(=O)NC1=O)cc2)CCN3c7ccc(Nc6cc(c5ccc([C@@H](C)NC(=O)c4nc(C(C)(C)C)no4)c(C)c5)ncn6)nc7
Cc6cc(c5cc(Nc4ccc(N3CCN(CCc2ccc(N1CCC(=O)NC1=O)cc2)CC3(C)C)cn4)ncn5)ccc6[C@@H](C)NC(=O)c7nc(C(C)(C)C)no7
Cc6c(F)c(c5cc(Nc4ccc(N3CCN(CCc2ccc(N1CCC(=O)NC1=O)cc2)C[C@@H]3C)cn4)ncn5)ccc6[C@@H](C)NC(=O)c7nc(C(C)(C)C)no7
Cc6c(F)c(c5cc(Nc4ccc(N3CCN(CCc2ccc(N1CCC(=O)NC1=O)cc2)CC3)cn4)ncn5)ccc6[C@@H](C)NC(=O)c7nc(C(C)(C)C)no7
Cc6cc(c5cc(Nc4ccc(N3CCN(CCc2ccc(N1CCC(=O)NC1=O)cc2)CC3)cn4)ncn5)c(F)cc6[C@@H](C)NC(=O)c7nc(C(C)(C)C)no7
Cc6cc(c5cc(Nc4ccc(N3CCN(CCc2ccc(N1CCC(=O)NC1=O)cc2)C[C@@H]3C(C)C)cn4)ncn5)ccc6[C@@H](C)NC(=O)c7nc(C(C)(C)C)no7
C[C@H]3CN(CCc2ccc(N1CCC(=O)NC1=O)cc2)CCN3c7ccc(Nc6cc(c5ccc([C@@H](C)NC(=O)c4nc(C(C)(C)C)no4)c(Cl)c5)ncn6)nc7
COC[C@H]3CN(CCc2ccc(N1CCC(=O)NC1=O)cc2)CCN3c7ccc(Nc6cc(c5ccc([C@@H](C)NC(=O)c4nc(C(C)(C)C)no4)c(C)c5)ncn6)nc7
C[C@H]3CN(CCc2ccc(N1CCC(=O)NC1=O)cc2)CCN3c7ccc(Nc6cc(c5ccc([C@@H](C)NC(=O)c4nc(C(C)(C)C)no4)c(C(F)(F)F)c5)ncn6)nc7
C[C@H]3CN(CCc2ccc(N1CCC(=O)NC1=O)cc2)CCN3c7ccc(Nc6cc(c5ccc([C@@H](C)NC(=O)c4nc(C(C)(C)C)no4)c(F)c5)ncn6)nc7
Cc6cc(c5cc(Nc4ccc(N3CCN(CCc2ccc(N1CCC(=O)NC1=O)cc2)C[C@@H]3C)cc4)ncn5)ccc6[C@@H](C)NC(=O)c7nc(C(C)(C)C)no7
Cc6cc(c5cc(Nc4ccc(CCN3CCN(c2ccc(N1CCC(=O)NC1=O)cc2)CC3)cn4)ncn5)ccc6[C@@H](C)NC(=O)c7nc(C(C)(C)C)no7
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)c1nc(C(C)(C)C)no1
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ccnc(NC(=O)[C@@H]3C[C@@H]3F)c2)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ccnc(NC(=O)[C@H]3C[C@H]3F)c2)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ccnc(NC(=O)[C@H]3C[C@@H]3C)c2)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ccnc(NC(=O)[C@@H]3C[C@H]3C)c2)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2cc(NC(=O)C3CC3)ncc2Cl)ccc1CNC(=O)c1noc(C(C)(C)C)n1
CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc(NC(=O)C4CC4)c3)cc2Cl)no1
CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc(NC(=O)C4CC4)c3)cc2Cl)n1
CCN1CC[C@@H](NC(=O)c2noc(C(C)(C)C)n2)c2ccc(-c3ccnc(NC(=O)C4CC4)c3)cc2C1
Cc1c(CNC(=O)c2noc(C(C)(C)C)n2)ccc(-c2ccnc(NC(=O)C3CC3)c2)c1F
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)c(F)cc1CNC(=O)c1nc(C(C)(C)C)no1
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)c(F)cc1CNC(=O)c1noc(C(C)(C)C)n1
CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc(NC(=O)C4CC4)c3)c(F)c2Cl)no1
CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc(NC(=O)C4CC4)c3)c(F)c2Cl)n1
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)c1noc(C(C)(C)C)n1
CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc(NC(=O)C4CC4)c3)cc2C(F)(F)F)n1
CC(C)(C)c1noc(C(=O)N[C@@H]2CCCCc3cc(-c4ccnc(NC(=O)C5CC5)c4)ccc32)n1
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1[C@@H](C)NC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2cc(NC(=O)C3CC3)ncc2F)ccc1[C@@H](C)NC(=O)c1noc(C(C)(C)C)n1
C[C@@H](NC(=O)c1noc(C(C)(C)C)n1)c1ccc(-c2ccnc(NC(=O)C3CC3)c2)cc1Cl
C[C@@H](NC(=O)c1noc(C(C)(C)C)n1)c1ccc(-c2cc(NC(=O)C3CC3)ncc2F)cc1Cl
Cc1cc(-c2ccnc(NC(=O)C3C4COCC43)c2)ccc1CNC(=O)c1noc(C(C)(C)C)n1
CC(C)(C)c1nc(C(=O)N[C@@H]2CCCCc3cc(-c4ccnc(NC(=O)C5CC5)c4)c(F)cc32)no1
Cc1cc(-c2ccnc(NC(=O)C3CC3C(F)(F)F)c2)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2cc(NC(=O)C3CC3)ncc2C(F)(F)F)ccc1CNC(=O)c1noc(C(C)(C)C)n1
CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc(NC(=O)C4CC4)c3)c(F)c2C(F)F)n1
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)c1nn(C(C)(C)C)cc1F
CC(C)(C)n1cc(F)c(C(=O)NCc2ccc(-c3ccnc(NC(=O)C4CC4)c3)c(F)c2C2CC2)n1
CC(C)(C)c1ncc(C(=O)NCc2ccc(-c3ccnc(NC(=O)C4CC4)c3)c(F)c2C2CC2)o1
Cc1c(CNC(=O)c2nn(C(C)(C)C)cc2F)ccc(-c2ccnc(NC(=O)C3CC3)c2)c1F
Cc1c(CNC(=O)c2cnc(C(C)(C)C)o2)ccc(-c2ccnc(NC(=O)C3CC3)c2)c1F
CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc(NC(=O)C4CC4)c3)c(F)c2C2CC2)no1
CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc(NC(=O)C4CC4)c3)c(F)c2C2CC2)n1
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)c1noc(C(C)(C)CO)n1
Cc1cc(-c2ccnc(NC(=O)C3CC34CCC4)c2)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ccnc(NC(=O)[C@H]3C[C@@H]3F)c2)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ccnc(NC(=O)[C@@H]3C[C@H]3F)c2)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)c1nc(C(C)(C)CF)no1
CC(C)(C)c1nc(C(=O)N[C@@H]2CCCCc3c2ccc(-c2ccnc(NC(=O)C4CC4)c2)c3F)no1
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)c1noc(C(C)(C)CF)n1
CC(C)(C)c1noc(C(=O)N[C@@H]2CCCCc3cc(-c4ccnc(NC(=O)[C@@H]5CC56CCC6)c4)ccc32)n1
CC(C)(C)c1noc(C(=O)N[C@@H]2CCCCc3cc(-c4ccnc(NC(=O)[C@@H]5CC56CC6)c4)ccc32)n1
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2F)ccc1CNC(=O)c1noc(C(C)(C)C)n1
CC(C)(C)c1noc(C(=O)N[C@@H]2CCCCc3cc(-c4ccnc(NC(=O)[C@@H]5CC5(C)C)c4)ccc32)n1
CC(C)(C)c1noc(C(=O)N[C@@H]2CCCCc3cc(-c4ccnc(NC(=O)[C@@H]5[C@@H]6COC[C@@H]65)c4)ccc32)n1
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)c1noc(C2(C)CC2)n1
Cc1cc(-c2ccnc(NC(=O)C3CC3(C)C)c2)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1cc(-c2ccnc(NC(=O)C3CC3(F)F)c2)ccc1CNC(=O)c1noc(C(C)(C)C)n1
CC(C)(C)c1noc(C(=O)N[C@@H]2CCCCc3cc(-c4ccnc(NC(=O)[C@@H]5C[C@@H]5C#N)c4)ccc32)n1
CC(C)(C)c1noc(C(=O)N[C@@H]2CCCCc3cc(-c4ccnc(NC(=O)[C@@H]5C[C@H]5C#N)c4)ccc32)n1
CC(C)(C)c1noc(C(=O)N[C@@H]2CCCCc3cc(-c4ccnc(NC(=O)[C@@H]5C[C@H]5C(F)(F)F)c4)ccc32)n1
CC(C)(C)c1nc(C(=O)N[C@H]2CCCOc3cc(-c4ccnc(NC(=O)C5CC5)c4)ccc32)no1
CC(C)(C)c1nc(C(=O)N[C@@H]2CCCOc3cc(-c4ccnc(NC(=O)C5CC5)c4)ccc32)no1
CC(C)(C)c1noc(C(=O)NC2CCCOc3cc(-c4ccnc(NC(=O)C5CC5)c4)ccc32)n1
CC(C)c1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)c1noc(C(C)(C)C)n1
Cc1c(CNC(=O)c2noc(C(C)(C)C)n2)ccc(-c2cc(NC(=O)C3CC3)ncc2F)c1F
CC(C)(C)c1noc(C(=O)N[C@@H]2CCCCc3cc(-c4ccnc(NC(=O)C5CC5(F)F)c4)ccc32)n1
CC1(c2nc(C(=O)NCc3ccc(-c4ccnc(NC(=O)C5CC5)c4)c(F)c3Cl)no2)CC1
CC1(c2nc(C(=O)NCc3ccc(-c4ccnc(NC(=O)C5CC5)c4)cc3Cl)no2)CC1
Cc1c(CNC(=O)c2noc(C(C)(C)C)n2)cc(F)c(-c2ccnc(NC(=O)C3CC3)c2)c1F
CC(C)(C)c1nc(C(=O)NCc2cc(F)c(-c3ccnc(NC(=O)C4CC4)c3)cc2C(F)(F)F)no1
CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc(NC(=O)C4CC4)c3)cc2Cl)co1
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)c1coc(C(C)(C)C)n1
CC(C)(C)c1nc(C(=O)NC2CCCOc3cc(-c4ccnc(NC(=O)C5CC5)c4)ccc32)no1
Cc1c([C@@H](C)NC(=O)c2nc(C(C)(C)C)no2)ccc(-c2ccnc(NC(=O)C3CC3)c2)c1F
CC(C)(C)c1nc(C(=O)N[C@@H]2CCCCc3cc(-c4ccnc(NC(=O)C5CC5)c4)ccc32)no1
CC(C)(C)c1nc(C(=O)N[C@@H]2CCCCc3cc(-c4ccnc(NC(=O)C5CC5)c4)ccc32)co1
CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc(NC(=O)C4CC4)c3)c(F)c2C(F)(F)F)n1
C[C@@H](NC(=O)c1nc(C(C)(C)C)no1)c1cc(F)c(-c2ccnc(NC(=O)C3CC3)c2)cc1Cl
Cc1c([C@@H](C)NC(=O)c2noc(C(C)(C)C)n2)ccc(-c2ccnc(NC(=O)C3CC3)c2)c1F
CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc(NC(=O)C4CC4)c3)cc2C(C)(C)C)no1
CCc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)c1noc(C(C)(C)C)n1
C[C@@H](NC(=O)c1noc(C(C)(C)C)n1)c1ccc(-c2ccnc(NC(=O)C3CC3)c2)c(F)c1Cl
C[C@@H](NC(=O)c1nc(C(C)(C)C)no1)c1ccc(-c2ccnc(NC(=O)C3CC3)c2)c(F)c1Cl
C[C@@H](NC(=O)c1noc(C(C)(C)C)n1)c1cc(F)c(-c2ccnc(NC(=O)C3CC3)c2)cc1Cl
CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc(NC(=O)C4CC4)c3)cc2C2CC2)no1
C[C@@H](NC(=O)c1noc(C(C)(C)C)n1)c1ccc(-c2ccnc(NC(=O)C3CC3)c2)cc1C(F)(F)F
C[C@@H](NC(=O)c1nc(C(C)(C)C)no1)c1ccc(-c2ccnc(NC(=O)C3CC3)c2)cc1C(F)(F)F
CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc(NC(=O)C4CC4)c3)cc2OC(F)(F)F)n1
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)c1cnc(C(C)(C)C)s1
Cc1cc(-c2ccnc(NC(=O)C3(F)CC3)c2)ccc1CNC(=O)c1noc(C(C)(C)C)n1
C[C@@H](NC(=O)c1noc(C(C)(C)C)n1)c1ccc(-c2ccnc(NC(=O)C3CC3)c2)cc1OC(F)(F)F
Cc1c(CNC(=O)c2noc(C(C)(C)C)n2)ccc(-c2ccnc(NC(=O)C3CC3)c2)c1Cl
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)c(F)cc1[C@@H](C)NC(=O)c1noc(C(C)(C)C)n1
CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc(NC(=O)C4CC4)c3)c(F)c2C(F)(F)F)no1
COc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)c1noc(C(C)(C)C)n1
CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc(NC(=O)C4CC4)c3)cc2C2CCC2)no1
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)c1cn(C(C)(C)C)nn1
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)c1nnc(C(C)(C)C)o1
C[C@@H](NC(=O)c1nc(C(C)(C)C)no1)c1ccc(-c2ccnc(NC(=O)C3CC3)c2)cc1Cl
CC(C)(C)c1noc(C(=O)N[C@@H]2CCN(CC(F)(F)F)Cc3cc(-c4ccnc(NC(=O)C5CC5)c4)ccc32)n1
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1[C@@H](C)NC(=O)c1nc(C(C)(C)C)no1
Cc1c(CNC(=O)c2nc(C(C)(C)C)no2)ccc(-c2ccnc(NC(=O)C3CC3)c2)c1F
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)c1cn(C(C)(C)C)cn1
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)c1cnn(C(C)(C)C)c1
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)c1nc(C(C)(C)C)co1
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)c1ncc(C(C)(C)C)o1
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)c1ccn(C(C)(C)C)n1
Cc1c(-c2ccnc(NC(=O)C3CC3)c2)ccc(CNC(=O)c2nc(C(C)(C)C)no2)c1F
Cc1c(-c2ccnc(NC(=O)C3CC3)c2)ccc(CNC(=O)c2noc(C(C)(C)C)n2)c1F
Cc1cc(CNC(=O)c2noc(C(C)(C)C)n2)c(F)cc1-c1ccnc(NC(=O)C2CC2)c1
Cc1cc(-c2cc(NC(=O)C3CC3)ncc2F)c(F)cc1CNC(=O)c1noc(C(C)(C)C)n1
CC(C)(C)c1nc(C(=O)NCc2cc(F)c(-c3ccnc(NC(=O)C4CC4)c3)cc2Cl)no1
Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CNC(=O)c1cc(C(C)(C)C)on1
Cc1cc(-c2cc(NC(=O)C3CC3)ncc2F)ccc1CNC(=O)c1noc(C(C)(C)C)n1
CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc(NC(=O)C4CC4)c3)cc2OC(F)(F)F)no1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)C(=O)NCCCC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)C(=O)NCCCCC/C=C/2
CN1C/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)[C@@H]2CCC[C@H](C2)C(=O)NCC1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)C(=O)NCC/C=C/2
CN1CC/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)[C@@H]2CCC[C@H](C2)C(=O)NCC1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)COCC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1F)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCC/C=C/2
Cc1ccnc(NC(=O)c2ccc(-c3nn4c5c(cnc(N)c35)/C=C/CNCC(=O)N[C@@H]3CCC[C@@H]4C3)c(F)c2)c1
CN1C/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)[C@@H]2CCC[C@H](C2)NC(=O)C1
CN1C/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)[C@@H]2CCC[C@H](C2)NC(=O)CCC1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCC[C@H](O)/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCC[C@@H](O)/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCC[C@H](O)/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCC[C@@H](O)/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCNC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCCCC/C=C/2
CN1C/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)[C@@H]2CCC[C@H](C2)NC(=O)CC1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)COCCC/C=C/2
COC1/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)[C@@H]2CCC[C@H](C2)NC(=O)CCC1
CN1C/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)[C@@H]2CCC[C@H](C2)NC(=O)CCCC1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCNC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCCNC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4ccccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4ccccn4)cc1)nn3C1CCC[C@H](C1)NC(=O)CCCCC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCOC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCOCC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCOC/C=C/2
C[C@H]1OC/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)[C@@H]2CCC[C@H](C2)NC1=O
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4ccccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCCCC/C=C/2
CN1CC/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)[C@@H]2CCC[C@H](C2)NC(=O)C1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CNCCC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CNCC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCNCC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)C1CCN1CC/C=C/2
CC(=O)N1CC/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)[C@@H]2CCC[C@H](C2)NC(=O)C1
CC(=O)N1CC/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)[C@@H]2CCC[C@H](C2)NC(=O)CC1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCCC/C=C/2
CN1CC/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)[C@@H]2CCC[C@H](C2)NC(=O)CC1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CNC[C@@H](O)/C=C/2
C[C@@H]1CC(=O)N[C@@H]2CCC[C@H](C2)n2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCN1C
CN1CCC/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)[C@@H]2CCC[C@H](C2)NC(=O)C1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)[C@H]1CCN1CC/C=C/2
C[C@H]1/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)[C@@H]2CCC[C@H](C2)NC(=O)CCCN1C
C[C@@H]1CC(=O)N[C@@H]2CCC[C@H](C2)n2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CN1C
C[C@@H]1CC(=O)N[C@@H]2CCC[C@H](C2)n2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCN1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCCC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)COC/C=C/2
COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn3c4c(cnc(N)c24)/C=C/CCCC(=O)N[C@@H]2CCC[C@@H]3C2)cc1
COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn3c4c(cnc(N)c24)/C=C/CCCCC(=O)N[C@@H]2CCC[C@@H]3C2)cc1
COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn3c4c(cnc(N)c24)/C=C/COCC(=O)N[C@@H]2CCC[C@@H]3C2)cc1
COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn3c4c(cnc(N)c24)/C=C/CO[C@H](C)C(=O)N[C@@H]2CCC[C@@H]3C2)cc1
C[C@@H]3CCn5nc(c2ccc(C(=O)Nc1cc(C(F)(F)F)ccn1)cc2)c4c(N)ncc(/C=C/CCCCC(=O)N3)c45
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CN2CC[C@H]2C(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/COCC(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CO[C@H](C)C(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CO[C@@H](C)C(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCOCC(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCCCCC(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CSCC(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCCCCCC(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCCCCCCC(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCCCCCCCC(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CS(=O)CC(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CN(C)CCCC(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CNCCCC(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCN2CC[C@H]2C(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCOCCC(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCCOCC(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/COCCC(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/C[C@@H](C)OCCC(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/C[C@H](C)OCCC(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCN2CC[C@@H]2C(=O)N1
CC1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/C(O)CCCCC(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCCC(=O)N1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCCN(C1)C(=O)CCCC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCCN(C1)C(=O)CCCCC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCCN(C1)C(=O)CCCCCC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCCN(C1)C(=O)CCCCCCC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCCN(C1)C(=O)CCCCCCCC/C=C/2
CN1C/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)[C@@H]2CCCN(C2)C(=O)CCCC1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCCN(C1)C(=O)CCCCCC(O)/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)C(=O)NCCC/C=C/C2
Nc4ncc5C/C=C/CCCNC(=O)[C@@H]1CCC[C@H](C1)n6nc(c3ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc3)c4c56
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)C(=O)NCCCC/C=C/C2
Nc4ncc5C/C=C\CCCCNC(=O)[C@@H]1CCC[C@H](C1)n6nc(c3ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc3)c4c56
Nc4ncc5C/C=C\CCNC(=O)[C@@H]1CCC[C@H](C1)n6nc(c3ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc3)c4c56
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4ccccn4)cc1)nn3[C@@H]1CCC[C@H](C1)C(=O)NCCCC/C=C/C2
Nc4ncc5C/C=C\CCCCNC(=O)[C@@H]1CCC[C@H](C1)n6nc(c3ccc(C(=O)Nc2ccccn2)cc3)c4c56
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4ccccn4)cc1)nn3[C@@H]1CCC[C@H](C1)C(=O)NCCCCC/C=C/C2
Nc4ncc5C/C=C/CCCCCNC(=O)[C@@H]1CCC[C@H](C1)n6nc(c3ccc(C(=O)Nc2ccccn2)cc3)c4c56
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)C(=O)NCCCCC/C=C/C2
Nc4ncc5C/C=C/CCCCCNC(=O)[C@@H]1CCC[C@H](C1)n6nc(c3ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc3)c4c56
Nc4ncc5C/C=C/CCCNC(=O)[C@@H]1CCC[C@H](C1)n6nc(c3ccc(C(=O)Nc2ccccn2)cc3)c4c56
Nc4ncc5C/C=C\CCNC(=O)[C@@H]1CCC[C@H](C1)n6nc(c3ccc(C(=O)Nc2ccccn2)cc3)c4c56
Nc4ncc5C/C=C\CCCCCCNC(=O)[C@@H]1CCC[C@H](C1)n6nc(c3ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc3)c4c56
Nc4ncc5C/C=C\CCCCCCNC(=O)[C@@H]1CCC[C@H](C1)n6nc(c3ccc(C(=O)Nc2ccccn2)cc3)c4c56
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCC/C=C/C2
Nc4ncc5C/C=C/CCCC(=O)N[C@@H]1CCC[C@H](C1)n6nc(c3ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc3)c4c56
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CC/C=C/C2
Nc4ncc5C/C=C\CCC(=O)N[C@@H]1CCC[C@H](C1)n6nc(c3ccc(C(=O)Nc2ccccn2)cc3)c4c56
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4ccccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CC/C=C/C2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)COC/C=C/C2
Nc4ncc5C/C=C/COCC(=O)N[C@@H]1CCC[C@H](C1)n6nc(c3ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc3)c4c56
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCC/C=C/C2
Nc4ncc5C/C=C\CCCCC(=O)N[C@@H]1CCC[C@H](C1)n6nc(c3ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc3)c4c56
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4ccccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCC/C=C/C2
Nc4ncc5C/C=C/CCCC(=O)N[C@@H]1CCC[C@H](C1)n6nc(c3ccc(C(=O)Nc2ccccn2)cc3)c4c56
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4ccccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCC/C=C/C2
Nc4ncc5C/C=C\CCCCC(=O)N[C@@H]1CCC[C@H](C1)n6nc(c3ccc(C(=O)Nc2ccccn2)cc3)c4c56
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCCC/C=C/C2
Nc4ncc5C/C=C/CCCCCC(=O)N[C@@H]1CCC[C@H](C1)n6nc(c3ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc3)c4c56
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4ccccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCCC/C=C/C2
Nc4ncc5C/C=C/CCCCCC(=O)N[C@@H]1CCC[C@H](C1)n6nc(c3ccc(C(=O)Nc2ccccn2)cc3)c4c56
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCCCC/C=C/C2
Nc4ncc5C/C=C\CCCCCCC(=O)N[C@@H]1CCC[C@H](C1)n6nc(c3ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc3)c4c56
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4ccccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)COC/C=C/C2
Nc4ncc5C/C=C/COCC(=O)N[C@@H]1CCC[C@H](C1)n6nc(c3ccc(C(=O)Nc2ccccn2)cc3)c4c56
Nc4ncc5C/C=C/CNCC(=O)N[C@@H]1CCC[C@H](C1)n6nc(c3ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc3)c4c56
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCNC/C=C/C2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCNC/C=C/C2
Nc4ncc5C/C=C/CNCCCC(=O)N[C@@H]1CCC[C@H](C1)n6nc(c3ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc3)c4c56
C[C@@H]3CCn5nc(c2ccc(C(=O)Nc1cc(C(F)(F)F)ccn1)cc2)c4c(N)ncc(C/C=C/CCCC(=O)N3)c45
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)C/C=C/CCCC(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)CC=CCCCCC(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)CC=CCCCCCC(=O)N1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCNCCCC2
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)CCCO[C@H](C)C(=O)N1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCCCC2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)C(=O)NCCCCCCC2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)C(=O)NCCCCC2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)C(=O)NCCCCCC2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4ccccn4)cc1)nn3[C@@H]1CCC[C@H](C1)C(=O)NCCCCCCC2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)C(=O)NCCCCCCCC2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)C(=O)NCCCCCCCCC2
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)CCCCCCC(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)CCCOCC(=O)N1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4ccccn4)cc1)nn3[C@@H]1CCC[C@H](C1)C(=O)NCCCCCCCCC2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4ccccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCCC2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4ccccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCCCC2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4ccccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCCCCC2
Cc1ccnc(NC(=O)c2ccc(-c3nn4c5c(cnc(N)c35)CCCCNCC(=O)N[C@@H]3CCC[C@@H]4C3)cc2)c1
[2H]C1CCCCNC(=O)[C@@H]2CCC[C@H](C2)n2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)C1[2H]
CN1C/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nc(n23)[C@@H]2CCCN(C2)C(=O)CCCC1
Nc1ncc2n3c(nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c13)[C@@H]1CCC[C@H](C1)NC(=O)CCCC/C=C/2
Nc1ncc2n3c(nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c13)[C@@H]1CCC[C@H](C1)NC(=O)CCCCC/C=C/2
Nc1ncc2n3c(nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c13)[C@@H]1CCC[C@H](C1)NC(=O)CCC/C=C/2
Nc1ncc2n3c(nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c13)[C@@H]1CCC[C@H](C1)NC(=O)CCC/C=C/C2
Nc4ncc5C/C=C/CCCC(=O)N[C@@H]1CCCC(C1)c6nc(c3ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc3)c4n56
Nc1ncc2n3c(nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c13)CCCNC(=O)CCC=CC2
Nc1ncc2n3c(nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c13)CCCNC(=O)CCCC=CC2
Nc1ncc2n3c(nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c13)[C@@H]1CCC[C@H](C1)NC(=O)CC/C=C/C2
[2H]C1([2H])/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)[C@@H]2CCC[C@H](C2)NC(=O)CCCC1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCC(F)(F)/C=C/2
COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn3c4c(cnc(N)c24)/C=C/CCCCCC(=O)N[C@H](C)CC3)cc1
CN1CCCCc2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)[C@@H]2CCC[C@H](C2)C(=O)NCC1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)[C@H]1CN(C/C=C/2)CCN1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CN2CCN[C@H](C2)C(=O)N1
CC1NC/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)CC[C@@H](C)NC1=O
CC1NC/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)CC[C@@H](C)NC1=O
CC1NC/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)[C@@H]2CCC[C@H](C2)NC1=O
CC1NC/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)[C@@H]2CCC[C@H](C2)NC1=O
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)[C@@H]1CCN(C/C=C/2)C1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CN2CC[C@H](C2)C(=O)N1
C[C@@H]1CNC(=O)[C@@H]2CCC[C@H](C2)n2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CO1
C[C@H]1CC(=O)N[C@@H]2CCCC(C2)n2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCN1
C[C@H]1CC(=O)N[C@@H]2CCC[C@H](C2)n2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CN1C
C[C@H]1CC(=O)N[C@@H]2CCC[C@H](C2)n2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCN1C
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C#N)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCOCCC(=O)N1
C[C@@H]1CNC(=O)[C@@H]2CCC[C@H](C2)n2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CN1C
N#Cc1ccnc(NC(=O)c2ccc(-c3nn4c5c(cnc(N)c35)/C=C/CCOCCC(=O)N[C@@H]3CCC[C@@H]4C3)cc2)c1
C[C@H]1CC(=O)N[C@@H]2CCC[C@H](C2)n2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCO1
C[C@@H]1CC(=O)N[C@@H]2CCC[C@H](C2)n2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCO1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCO[C@@H](C)CC(=O)N1
C[C@@H]1CCn2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCO[C@@H](C)CC(=O)N1
C[C@@H]1CC(=O)N[C@@H]2CCC[C@H](C2)n2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CN1
C[C@H]1CC(=O)N[C@@H]2CCC[C@H](C2)n2nc(-c3ccc(C(=O)Nc4cc(C#N)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCO1
C[C@@H]1CC(=O)N[C@@H]2CCC[C@H](C2)n2nc(-c3ccc(C(=O)Nc4cc(C#N)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCO1
N#Cc1ccnc(NC(=O)c2ccc(-c3nn4c5c(cnc(N)c35)/C=C/CCCCCC(=O)N[C@@H]3CCC[C@@H]4C3)cc2)c1
N#Cc1ccnc(NC(=O)c2ccc(-c3nn4c5c(cnc(N)c35)/C=C/COCCC(=O)N[C@@H]3CCC[C@@H]4C3)cc2)c1
N#Cc1ccnc(NC(=O)c2ccc(-c3nn4c5c(cnc(N)c35)/C=C/CCN3CC[C@H]3C(=O)N[C@@H]3CCC[C@@H]4C3)cc2)c1
N#Cc1ccnc(NC(=O)c2ccc(-c3nn4c5c(cnc(N)c35)/C=C/CCOCCC(=O)N[C@@H]3CCC[C@@H]4C3)cc2)c1
CC(=O)N1CCC/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)[C@@H]2CCC[C@H](C2)NC(=O)C1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CC[C@H](C1)NC(=O)CCCCC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CC[C@H](C1)NC(=O)CCOCC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CC[C@H](C1)NC(=O)CCOC/C=C/2
C[C@@H]1CCn2nc(-c3cnn(Cc4ccccc4)c3)c3c(N)ncc(c32)/C=C/CCCCCC(=O)N1
C[C@@H]1C[C@@H](C)n2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCCCCC(=O)N1
C[C@@H]1CCn2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncc(c32)/C=C/CCCCCC(=O)N1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CC[C@H](C1)NC(=O)[C@@H]1CCN1CC/C=C/2
C[C@@H]1CC(=O)N[C@@H]2CC[C@H](C2)n2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCN1
C[C@@H]1C[C@@H](C)n2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(c32)/C=C/COCCC(=O)N1
Nc1ncc2n3c(nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c13)[C@@H]1CCC[C@H](C1)NC(=O)CCOCC/C=C/2
Nc1ncc2n3c(nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c13)[C@@H]1CCC[C@H](C1)NC(=O)CCOC/C=C/2
C[C@@H]1CC(=O)N[C@@H]2CCC[C@H](C2)c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(n23)/C=C/CCN1
C[C@@H]1CC(=O)N[C@@H]2CCC[C@H](C2)n2nc(-c3ccc(C(=O)Nc4cc(C#N)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCN1
C[C@@H]1CC(=O)N[C@@H]2CC[C@H](C2)n2nc(-c3ccc(C(=O)Nc4cc(C#N)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCN1
N#Cc1ccnc(NC(=O)c2ccc(-c3nn4c5c(cnc(N)c35)/C=C/CCCCCC(=O)N[C@@H]3CC[C@@H]4C3)cc2)c1
N#Cc1ccnc(NC(=O)c2ccc(-c3nn4c5c(cnc(N)c35)/C=C/COCCC(=O)N[C@@H]3CC[C@@H]4C3)cc2)c1
N#Cc1ccnc(NC(=O)c2ccc(-c3nc4n5c(cnc(N)c35)/C=C/CCCCCC(=O)N[C@@H]3CCC[C@@H]4C3)cc2)c1
N#Cc1ccnc(NC(=O)c2ccc(-c3nn4c5c(cnc(N)c35)/C=C/CCOCCC(=O)N[C@@H]3CC[C@@H]4C3)cc2)c1
N#Cc1ccnc(NC(=O)c2ccc(-c3nn4c5c(cnc(N)c35)/C=C/CCN3CC[C@H]3C(=O)N[C@@H]3CC[C@@H]4C3)cc2)c1
COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn3c4c(cnc(N)c24)/C=C/CCCCCC(=O)N[C@@H]2CCC[C@@H]3C2)cc1
COc1cc(-c2nn3c4c(cnc(N)c24)/C=C/COCCC(=O)N[C@@H]2CCC[C@@H]3C2)ccc1C(=O)Nc1cc(C(F)(F)F)ccn1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCOC/C=C/2
CC(=O)N1CC/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn(c23)[C@@H]2CCC[C@H](C2)NC(=O)C[C@H]1C
C[C@@H]1CC(=O)N[C@@H]2CCC[C@H](C2)n2nc(-c3ccc(C(=O)Nc4cc(F)ccn4)cc3)c3c(N)ncc(c32)/C=C/CCN1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1COC[C@H](C1)NC(=O)CCOC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCOCC/C=C/2
COc1cc(-c2nn3c4c(cnc(N)c24)/C=C/CCN[C@H](C)CC(=O)N[C@@H]2CCC[C@@H]3C2)ccc1C(=O)Nc1cc(C(F)(F)F)ccn1
COc1cc(-c2nn3c4c(cnc(N)c24)/C=C/CCOCCC(=O)N[C@@H]2CCC[C@@H]3C2)ccc1C(=O)Nc1cc(C(F)(F)F)ccn1
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(F)ccn4)cc1)nn3[C@@H]1CCC[C@H](C1)NC(=O)CCCCC/C=C/2
COc1cc(-c2nn3c4c(cnc(N)c24)/C=C/CCCCCC(=O)N[C@@H]2CCC[C@@H]3C2)ccc1C(=O)Nc1cc(C(F)(F)F)ccn1
Nc1ncc2n3c(nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c13)[C@@H]1CC[C@H](C1)NC(=O)CCOC/C=C/2
N#Cc1ccnc(NC(=O)c2ccc(-c3nc4n5c(cnc(N)c35)/C=C/COCCC(=O)N[C@@H]3CC[C@@H]4C3)cc2)c1
N#Cc1ccnc(NC(=O)c2ccc(-c3nc4n5c(cnc(N)c35)/C=C/COCCC(=O)N[C@@H]3CCC[C@@H]4C3)cc2)c1
N#Cc1ccnc(NC(=O)c2ccc(-c3nc4n5c(cnc(N)c35)/C=C/CCOCCC(=O)N[C@@H]3CC[C@@H]4C3)cc2)c1
Nc1ncc2n3c(nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c13)[C@@H]1CC[C@H](C1)NC(=O)CCOCC/C=C/2
Nc1ncc2n3c(nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c13)[C@@H]1CC[C@H](C1)NC(=O)CCCCC/C=C/2
N#Cc1ccnc(NC(=O)c2ccc(-c3nc4n5c(cnc(N)c35)/C=C/CCCCCC(=O)N[C@@H]3CC[C@@H]4C3)cc2)c1
N#Cc1ccnc(NC(=O)c2ccc(-c3nc4n5c(cnc(N)c35)/C=C/CCOCCC(=O)N[C@@H]3CCC[C@@H]4C3)cc2)c1
C[C@@H]1CC(=O)N[C@@H]2CCC[C@H](C2)c2nc(-c3ccc(C(=O)Nc4cc(C#N)ccn4)cc3)c3c(N)ncc(n23)/C=C/CCN1
C[C@@H]1CC(=O)N[C@@H]2CC[C@H](C2)c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(n23)/C=C/CCN1
C[C@@H]1CC(=O)N[C@@H]2CC[C@H](C2)c2nc(-c3ccc(C(=O)Nc4cc(C#N)ccn4)cc3)c3c(N)ncc(n23)/C=C/CCN1
Nc1ncc2n3c(nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c13)[C@@H]1CC[C@H](C1)NC(=O)CNCC/C=C/2
COc1ccc(F)cc1C(=O)NCc1ccc(-c2nc3n4c(cnc(N)c24)/C=C/CCOCCC(=O)N[C@@H]2CCC[C@@H]3C2)cc1
COc1ccc(F)cc1C(=O)NCc1ccc(-c2nc3n4c(cnc(N)c24)/C=C/COCCC(=O)N[C@@H]2CCC[C@@H]3C2)cc1
COc1ccc(F)cc1C(=O)NCc1ccc(-c2nc3n4c(cnc(N)c24)/C=C/CCN[C@H](C)CC(=O)N[C@@H]2CCC[C@@H]3C2)cc1
COc1ccc(F)cc1C(=O)NCc1ccc(-c2nc3n4c(cnc(N)c24)/C=C/CCOCCC(=O)N[C@@H]2CC[C@@H]3C2)cc1
COc1ccc(F)cc1C(=O)NCc1ccc(-c2nc3n4c(cnc(N)c24)/C=C/CCN[C@H](C)CC(=O)N[C@@H]2CC[C@@H]3C2)cc1
Nc1ncc2n3c(nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c13)[C@@H]1CC[C@H](C1)NC(=O)CCOCC/C=C/2
Cn1nc(NC(=O)c2ccc(-c3nc4n5c(cnc(N)c35)/C=C/CCOCCC(=O)N[C@@H]3CC[C@@H]4C3)cc2)cc1C(F)(F)F
COc1ccnc(NC(=O)c2ccc(-c3nc4n5c(cnc(N)c35)/C=C/CCOCCC(=O)N[C@@H]3CC[C@@H]4C3)cc2)c1
C[C@@H]1CC(=O)N[C@@H]2CC[C@H](C2)c2nc(-c3ccc(C(=O)Nc4cc(C#N)ccn4)cc3)c3c(N)ncc(n23)/C=C/CCN1
COc1ccc(F)cc1C(=O)NCc1ccc(-c2nc3n4c(cnc(N)c24)/C=C/CCNCC(=O)N[C@@H]2CC[C@@H]3C2)cc1
CC(=O)N1CC/C=C/c2cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nc(n23)[C@@H]2CC[C@H](C2)NC(=O)C1
COc1ccc(F)cc1C(=O)NCc1ccc(-c2nc3n4c(cnc(N)c24)/C=C/CCN(C(C)=O)CC(=O)N[C@@H]2CC[C@@H]3C2)cc1
Nc1ncc2n3c(nc(-c4ccc(C(=O)Nc5cc(C(F)F)ccn5)cc4)c13)[C@@H]1CC[C@H](C1)NC(=O)CCOCC/C=C/2
Nc1ncc2n3c(nc(-c4ccc(C(=O)Nc5cc(C6CC6)ccn5)cc4)c13)[C@@H]1CC[C@H](C1)NC(=O)CCOCC/C=C/2
Nc1ncc2n3c(nc(-c4ccc(C(=O)Nc5cc(OC(F)F)ccn5)cc4)c13)[C@@H]1CC[C@H](C1)NC(=O)CCOCC/C=C/2
Nc1ncc2c3c1c(-c1ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc1)nn3[C@@H]1CN[C@H](C1)C(=O)NCCCCC/C=C/2
CC(=O)N1C[C@@H]2C[C@@H]1C(=O)NCCCCC/C=C/c1cnc(N)c3c(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)nn2c13
C[C@@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2ccc(-c3cccc(C(=O)NCCOCCOCCOCCOC/C=C/C(=O)N4CCC[C@@H](n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)C4)c3)nc2n1
C[C@@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2ccc(-c3cccc(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOC/C=C/C(=O)N4CCC[C@@H](n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)C4)c3)nc2n1
C[C@@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2ccc(-c3cccc(C(=O)NCCCCCCCC/C=C/C(=O)N4CCC[C@@H](n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)C4)c3)nc2n1
C[C@@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2ccc(-c3cccc(C(=O)NCCCCCCCCOc4ccc(C(=O)C[C@H]5C(C)(C)[C@H](Oc6ccc(C#N)c(Cl)c6)C5(C)C)cc4)c3)nc2n1
NC(=O)c1c(F)cccc1Nc1nc(Nc2ccc(S(=O)(=O)NCCOCCOC/C=C/C(=O)N3CCC[C@@H](n4nc(-c5ccc(Oc6ccccc6)cc5)c5c(N)ncnc54)C3)cc2)ncc1Br
NC(=O)c1c(F)cccc1Nc1nc(Nc2ccc(S(=O)(=O)NCCOCCOCCOCCOCCOC/C=C/C(=O)N3CCC[C@@H](n4nc(-c5ccc(Oc6ccccc6)cc5)c5c(N)ncnc54)C3)cc2)ncc1Br
NC(=O)c1c(F)cccc1Nc1nc(Cc2ccc(S(=O)(=O)NCCCCCCCC/C=C/C(=O)N3CCC[C@@H](n4nc(-c5ccc(Oc6ccccc6)cc5)c5c(N)ncnc54)C3)cc2)ncc1Br
CN(C/C=C/C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1)CCCN1CCN(CCCNS(=O)(=O)c2ccc(Cc3ncc(Br)c(Cc4cccc(F)c4C(N)=O)n3)cc2)CC1
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOC/C=C/C(=O)N1CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C1)c1nnc(C)n1-2
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOCCOCCOCCOCCOC/C=C/C(=O)N1CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C1)c1nnc(C)n1-2
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCCC/C=C/C(=O)N1CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C1)c1nnc(C)n1-2
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCN1CCN(CCCN(C)C/C=C/C(=O)N3CCC[C@@H](n4nc(-c5ccc(Oc6ccccc6)cc5)c5c(N)ncnc54)C3)CC1)c1nnc(C)n1-2
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NCCCCCCCCOC/C=C/C(=O)N4CCC[C@@H](n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)C4)cc3OC)nc2N1C1CCCC1
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NCCOCCOCCOC/C=C/C(=O)N4CCC[C@@H](n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)C4)cc3OC)nc2N1C1CCCC1
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NCCOCCOCCOCCOCCOCCOCCOC/C=C/C(=O)N4CCC[C@@H](n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)C4)cc3OC)nc2N1C1CCCC1
CCc1cnn2c(NCc3ccc(OCCOCCOCCOCCOCCOC/C=C/C(=O)N4CCC[C@@H](n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)C4)nc3)cc(N3CCCC[C@H]3CCO)nc12
CCc1cnn2c(NCc3ccc(OCCOCCOCCOCCOCCN(C)C/C=C/C(=O)N4CCC[C@@H](n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)C4)nc3)cc(N3CCCC[C@H]3CCO)nc12
CCc1cnn2c(NCC3=C[NH+](CCOCCOCCOCCOCCN(C)C/C=C/C(=O)N4CCC[C@@H](n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)C4)C(=O)C=C3)cc(N3CCCC[C@H]3CCO)nc12
CCc1cnn2c(NCc3ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC/C=C/C(=O)N4CCC[C@@H](n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)C4)nc3)cc(N3CCCC[C@H]3CCO)nc12
CCc1cnn2c(NCc3ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCN(C)C/C=C/C(=O)N4CCC[C@@H](n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)C4)nc3)cc(N3CCCC[C@H]3CCO)nc12
CN(OCCOCCOCCOCCOCCOCCOCCOC/C=C/C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1
CN(C/C=C/C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1)CCOCCOCCOCCOCCOCCOCCON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1
CN(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC/C=C/C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1
CN(C/C=C/C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1)CCOCCOCCOCCOCCNS(=O)(=O)c1ccc(Nc2ncc(Br)c(Nc3cccc(F)c3C(N)=O)n2)cc1
CCc1cnn2c(NCc3ccc(OCCOCCOCCOC4CCN(C/C=C/C(=O)N(C)CCOc5c(N)ncnc5-c5cc(F)cc(CC(=O)c6ccc(C7CC7)cc6F)c5C)CC4)nc3)cc(N3CCCC[C@H]3CCO)nc12
CCc1cnn2c(NCc3ccc(OCCOCCOCCN(C)C/C=C/C(=O)N4CCC[C@@H](n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)C4)nc3)cc(N3CCCC[C@H]3CCO)nc12
NC(=O)c1c(F)cccc1Cc1nc(Cc2ccc(S(=O)(=O)NCCOCCOCCOC3CCN(C/C=C/C(=O)N4CCC[C@@H](n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)C4)CC3)cc2)ncc1Br
CCc1cnn2c(CCc3ccc(CCOCCOCCOCCOCCN(C)C/C=C/C(=O)N(C)CCOc4c(N)ncnc4-c4cc(F)cc(CC(=O)c5ccc(C6CC6)cc5F)c4C)nc3)cc(N3CCCC[C@H]3CCO)nc12
Cc1c(CC(=O)c2ccc(C3CC3)cc2F)cc(F)cc1-c1ncnc(N)c1OCCN(C)C(=O)/C=C/CN1CCC(OCCOCCOCCNS(=O)(=O)c2ccc(Cc3ncc(Br)c(Cc4cccc(F)c4C(N)=O)n3)cc2)CC1
CCc1cnn2c(NCc3ccc(OCCOCCOCCOC4CCN(C/C=C/C(=O)N5CCC[C@@H](n6nc(-c7ccc(Oc8ccccc8)cc7)c7c(N)ncnc76)C5)CC4)nc3)cc(N3CCCC[C@H]3CCO)nc12
Cc1c(NC(=O)c2ccc(C3CC3)cc2F)cc(F)cc1-c1ncnc(N)c1OCCN(C)C(=O)/C=C/CN(C)CCCN1CCN(CCCNS(=O)(=O)c2ccc(Nc3ncc(Br)c(Nc4cccc(F)c4C(N)=O)n3)cc2)CC1
CCc1cnn2c(NCc3ccc(OCCCN4CCN(CCCN(C)C/C=C/C(=O)N5CCC[C@@H](n6nc(-c7ccc(Oc8ccccc8)cc7)c7c(N)ncnc76)C5)CC4)nc3)cc(N3CCCC[C@H]3CCO)nc12
CCc1cnn2c(NCc3ccc(OCCCN4CCN(CCCN(C)C/C=C/C(=O)N(C)CCOc5c(N)ncnc5-c5cc(F)cc(CC(=O)c6ccc(C7CC7)cc6F)c5C)CC4)nc3)cc(N3CCCC[C@H]3CCO)nc12
NC(=O)c1c(nc([C@@H]2CCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1ccccn1 |r|
C#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c(C(N)=O)n1N
N#CN1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c(C(N)=O)n1N
C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C)ccn3)cc2)c(C(N)=O)n1N
C#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C)ccn3)cc2)c(C(N)=O)n1N
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C)ccn3)cc2)c(C(N)=O)n1N
C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccc(C)cn3)cc2)c(C(N)=O)n1N
C#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccc(C)cn3)cc2)c(C(N)=O)n1N
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccc(C)cn3)cc2)c(C(N)=O)n1N
C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(OC)ccn3)cc2)c(C(N)=O)n1N
C#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(OC)ccn3)cc2)c(C(N)=O)n1N
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(OC)ccn3)cc2)c(C(N)=O)n1N
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n(N)c2C(N)=O)c1 |r|
CCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN4C(=O)C=C(C)C)n(N)c3C(N)=O)cc2)c1
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(CC)ccn3)cc2)c(C(N)=O)n1N
CCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN4C#N)n(N)c3C(N)=O)cc2)c1
C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(F)ccn3)cc2)c(C(N)=O)n1N
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(F)ccn3)cc2)c(C(N)=O)n1N
C=CC(=O)N1CCC[C@H]1c4nc(c3ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc3)c(C(N)=O)n4N
CC#CC(=O)N1CCC[C@H]1c4nc(c3ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc3)c(C(N)=O)n4N
C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C(C)C)ccn3)cc2)c(C(N)=O)n1N
C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C)ccn3)cc2)c(C(N)=O)n1NC
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1ccccn1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1ccccn1 |r|
Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n(N)c2C(N)=O)c1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(C)ccn1 |r|
C=C(F)C(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C)ccn3)cc2)c(C(N)=O)n1N
Cc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCCN4C(=O)/C=C/C(F)(F)F)n(N)c3C(N)=O)cc2)c1
Cc1ccc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n(N)c2C(N)=O)nc1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1ccc(C)cn1 |r|
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1ccccc1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1ccccc1 |r|
COc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n(N)c2C(N)=O)c1 |r|
COc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n(N)c2C(N)=O)c1 |r|
COc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCCN4C(=O)/C=C/C(F)(F)F)n(N)c3C(N)=O)cc2)c1
C=C(F)C(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(OC)ccn3)cc2)c(C(N)=O)n1N
CC(C)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n(N)c2C(N)=O)c1 |r|
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(Cl)ccn1 |r|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n(N)c2C(N)=O)c1 |r|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n(N)c2C(N)=O)c1 |r|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C(=C\C3CC3)\C#N)n(N)c2C(N)=O)c1 |r|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C(=C\C(C)C)\C#N)n(N)c2C(N)=O)c1 |r|
C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(CC)ccn3)cc2)c(C(N)=O)n1NC
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C#N |r|
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cn1 |r|
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(Br)ccn1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(Br)ccn1 |r|
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(I)ccn1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(I)ccn1 |r|
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1ccc(F)cc1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1ccc(F)cc1 |r|
C=CC(=O)C1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(CC)ccn4)cc3)c(C(N)=O)n2N)N1
C=CC(=O)N1CCCCCC1c1nc(-c2ccc(C(=O)Nc3cc(CC)ccn3)cc2)c(C(N)=O)n1N
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc(C3CC4(C3)CN(C4)C(=O)C=C)n(N)c2C(N)=O)c1
C#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C)ccn3)cc2)c(C(N)=O)n1N
C#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(OC)ccn3)cc2)c(C(N)=O)n1N
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(Cl)ccn1 |r|
C#CC(=O)N1CCCCC1c1nc(-c2ccc(C(=O)Nc3cc(Cl)ccn3)cc2)c(C(N)=O)n1N
C#CC(=O)N1CCCCC1c1nc(-c2ccc(C(=O)Nc3cc(CC)ccn3)cc2)c(C(N)=O)n1N
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cccnn1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cccnn1 |r|
NC(=O)c1c(nc(CC2CCN(CC2)C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1ccccn1
CC#CC(=O)N1CCC(Cc2nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c(C(N)=O)n2N)CC1
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1nccs1 |r|
C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(F)ccn3)cc2)c(C(N)=O)n1N
Cc1cc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n(N)c2C(N)=O)ncc1F |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(C)c(F)cn1 |r|
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1ccc(Cl)cc1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1ccc(Cl)cc1 |r|
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1ccc(cc1)C#N |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1ccc(cc1)C#N |r|
Nc6nccn7c(C23CCC(NC(=O)c1cccnc1)(CC2)C3)nc(c5ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc5)c67
COc1ccccc1C(=O)NC12CCC(c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)(CC1)C2
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12
CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(C5CCN(C6CN(c7ccc8c(C9CCC(=O)NC9=O)noc8c7)C6)CC5)cc4)n3)C2)C1=O
CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(N5CCC(CN6CCc7ccc8c(C9CCC(=O)NC9=O)noc8c7CC6)CC5)cc4)n3)C2)C1=O
CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(C5CCC(N6Cc7ccc8c(C9CCC(=O)NC9=O)noc8c7C6)CC5)cc4)n3)C2)C1=O
CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(C5CCC6(CC5)CCN(CN5Cc7ccc8c(C9CCC(=O)NC9=O)noc8c7C5)CC6)cc4)n3)C2)C1=O
CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(C5CCC6(CC5)CC(N5CCc7ccc8c(C9CCC(=O)NC9=O)noc8c7CC5)C6)cc4)n3)C2)C1=O
CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Cn1cnc2c(Nc3ccc(cc3)C(=O)N3CCOCC3)nc(nc12)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1
Cn1ncc2c(Nc3ccc(cc3)C(=O)N3CCOCC3)nc(nc12)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1
Cn1cnc2c(Nc3ccc(cc3)C(=O)N3CCOCC3)nc(cc12)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1nccc(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2cccn2n1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2ncn(C)c2n1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nccn2n1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nccn2c1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(O)=O)c2ncn(C)c2n1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCNCC2)c2ncn(C)c2n1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCN(CCO)CC2)c2ncn(C)c2n1
CN1CCN(CC1)C(=O)c1ccc(Nc2nc(nc3n(C)cnc23)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc1
CN(C)CCOC(=O)c1ccc(Nc2nc(nc3n(C)cnc23)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc1
CN(C)C(=O)c1ccc(Nc2nc(nc3n(C)cnc23)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc1
CN(C)CCNC(=O)c1ccc(Nc2nc(nc3n(C)cnc23)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)NCCO)c2ncn(C)c2n1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)N2CCNCC2)c2ncn(C)c2n1
CCCn1cnc2c(Nc3ccc(cc3)C(=O)N3CCOCC3)nc(nc12)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1C
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2ncn(CCc3ccccc3)c2n1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2ncn(CCCc3ccccc3)c2n1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2ncn(CC(=O)OC(C)(C)C)c2n1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2ncn(CC(O)=O)c2n1
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Cc1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)cc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Cc1ccc(cc1NC(=O)c1ccc(cc1)C(C)(C)C)-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Cc1c(NC(=O)C2CCC(CC2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1 |(57.34,-49.43,;57.34,-50.97,;56,-51.74,;54.67,-50.97,;53.33,-51.74,;53.33,-53.28,;52,-50.97,;52,-49.43,;50.67,-48.66,;49.33,-49.43,;49.34,-50.98,;50.67,-51.74,;48,-48.66,;48,-47.12,;46.67,-49.43,;46.66,-47.89,;56,-53.28,;57.34,-54.05,;58.67,-53.28,;58.67,-51.75,;60,-50.98,;60,-49.43,;61.33,-48.66,;61.33,-47.12,;59.99,-46.36,;59.99,-44.81,;58.66,-44.05,;57.32,-44.82,;57.33,-46.37,;58.67,-47.13,;55.99,-44.06,;55.98,-42.52,;54.66,-44.83,;53.31,-44.06,;51.99,-44.83,;51.98,-46.37,;53.32,-47.14,;54.66,-46.37,;62.67,-49.43,;64.14,-48.95,;65.05,-50.2,;64.14,-51.46,;62.67,-50.98,;61.33,-51.75,)|
Cc1c(NC(=O)c2ccc(cc2)C(F)(F)F)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Cc1c(NC(=O)c2ccccc2)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Cc1c(NC(=O)C2CCCCC2)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Cc1c(NC(=O)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Cc1c(N)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Cc1cccc(c1C)-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Cc1c(NC(=O)Nc2ccccc2)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Cc1c(NC(=O)NC2CCCCC2)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Cc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Cc1c(NS(C)(=O)=O)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
OC(=O)c1cc(n[nH]1)P(O)(O)=O
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(N)nc1
CCNc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(NC2CC2)nc1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2ccccc2)nc1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(c2)C(F)(F)F)nc1
COc1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cn2)c1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(F)c2)nc1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2ccc(N)cc2)nc1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
CCC(=O)Nc1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cn2)c1
CN(C)CCC(=O)Nc1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cn2)c1
CCC(=O)N(C(=O)CC)c1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cn2)c1
Nc1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3Cl)cn2)c1
Nc1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3F)cn2)c1
Nc1cccc(Nc2ncc(NC(=O)c3cccc(NC(=O)c4cccc(c4)C(F)(F)F)c3)cn2)c1
Nc1cccc(Nc2ncc(NC(=O)c3cccc(c3)C(=O)Nc3cccc(c3)C(F)(F)F)cn2)c1
Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
CCC(=O)Nc1ccc(C)c(c1)C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Cc1ccc(NC(=O)C2CC2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
CN(C)c1cccc(c1)C(=O)Nc1ccc(C)c(c1)C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Cc1ccc(NC(=O)c2cccc(F)c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Cc1ccc(NC(=O)c2cc(Cl)cc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)CNC(=O)C=C)c2)nc1
Cc1ccc(NC(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Cc1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Cc1ccc(NC(=O)\C=C\c2ccccc2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
C\C=C\C(=O)Nc1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cn2)c1
CN(C)C\C=C\C(=O)Nc1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cn2)c1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NS(=O)(=O)C=C)c2)nc1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)CCl)c2)nc1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)Cn3sc4ccccc4c3=O)c2)nc1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(c2)N(C(=O)C=C)C(=O)C=C)nc1
Cc1ccc(NC(=O)c2cccc(F)c2)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1
Cc1ccc(NC(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1
Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5|
CCNC(=O)Nc1cc(cn(C)c1=O)-c1cccc(N2CCc3cc(ccc3C2=O)N(C)C)c1CO
CNC(=O)Nc1cc(cn(C)c1=O)-c1ccc(F)c(N2CCc3cc(ccc3C2=O)N(C)C)c1CO
CN(C)c1ccc2C(=O)N(CCc2c1)c1cccc(-c2cc(Nc3ccc(cn3)N3CCOCC3)c(=O)n(C)c2)c1CO
CN(C)c1ccc2C(=O)N(CCc2c1)c1cc(F)cc(c1CO)-c1cc(Nc2ccc(cn2)N2CCOCC2)c(=O)n(C)c1
CN(C)c1ccc2c(ccn(-c3cccc(-c4cc(Nc5ccc(cn5)C(=O)N5CCOCC5)c(=O)n(C)c4)c3CO)c2=O)c1
CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)N(C)C
CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(N3CCc4cc(ccc4C3=O)C(C)(C)C#N)c2CO)nc1
CC(C)(C#N)c1cc2c(c(c1)F)C(=O)N(CC2)c3cccc(c3CO)C4=CN(C(=O)C(=C4)Nc5ccc(cn5)N6CCN(CC6)C)C
CCN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(ccc3c2=O)C2CC2)nc1
CCN1CCN(CC1)c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)C7CC7
CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(cc(Cl)c3c2=O)C2CC2)nc1
CCN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C(C)(C)C)nc1
CCN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nc1
CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nc1
CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)nc1
Cc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c(=O)n(C)c1
CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2C)-n2ccc3cc(cc(F)c3c2=O)C2CC2)nc1
CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2)-n2ccc3cc(cc(F)c3c2=O)C2CC2)nc1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(cn(C)c1=O)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
CN(C)c1cc2ccn(-c3cccc(-c4cc(Nc5ccc(cn5)N5CCN(C)CC5)c(=O)n(C)c4)c3CO)c(=O)c2cn1
CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(ncc3c2=O)C2CC2)nc1
CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3nc(ccc3c2=O)C2CC2)nc1
CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(ccc3c2=O)C2CC2)nc1
Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C(=O)C2CC2)c1=O)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
CN1CC(C1)N1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)nc1
Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Cn1cc(cc(Nc2ccc(cn2)C2CCN(CC2)C2COC2)c1=O)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
CN1CCN(CC1)c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)C7CC7
CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(N3C(=O)c4ccc(cc4C3=O)C(C)(C)C)c2C)nc1
CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(-c3nc4cc(ccc4[nH]3)C(C)(C)C)c2C)nc1
CN1CCN(CC1)c1ccc(Nc2c(C)c(c[nH]c2=O)-c2cccc(Nc3ncnc4ccccc34)c2C)nc1
CN1CCN(CC1)c1ccc(CNc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1
CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3ccccc3c2=O)nc1
OCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C4CO4)c3)n2)cc1
CN(c1cccc(NC(=O)C=C)c1)c1nc(Nc2ccc(OCCO)cc2)ncc1F
CN(c1ccc(OCCO)cc1)c1ncc(F)c(Nc2cccc(NC(=O)C=C)c2)n1
COc1cc(OCCN(C)C)ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1
COCCOc1ccc(Nc2ncc(F)c(n2)N(C)c2cccc(NC(=O)C=C)c2)cc1
[H][C@@]12CS[C@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(=O)N(C)CCCOc3cccc(Nc4ncc(C)c(n4)N(C)c4cccc(NC(=O)C=C)c4)c3)[C@]1([H])NC(=O)N2 |r|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2n1C)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8|
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]ccc12
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)-c1ccccc1
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)-c1ccc(O)cc1
COc1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Nc1cccc(c1)-c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
CC(=O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
CN(C)C(=O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCOCC1
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCCCC1
CN(C)Cc1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1
CN(C)C(=O)c1cccc(c1)-c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
CC(=O)c1cc(cs1)-c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)-c1cc[nH]n1
Cn1ccc(n1)-c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
COc1ccc(cn1)-c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
CN(C)C(=O)c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)C1=CCCCC1 |t:38|
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)C1=CCSCC1 |t:38|
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)C1=CCNCC1 |t:38|
CN1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:4|
CC(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:6|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8|
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N1CCOCC1 |t:38|
CNC(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:7|
CN(C)S(=O)(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:9|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:7|
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C1COC1 |t:38|
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)C1=CCN(CC1)c1ncccn1 |t:38|
CN(C)C(=O)N1CCC(CC1)c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Cc1c(NC(=O)c2ccccc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(cccc1NC(=O)c2cc3c(s2)CCCC3)C4=CN(C(=O)C(=N4)Nc5ccc(cc5)[C@@H]6C(=O)N(CCN6C)C)C
CN1CCN(C)C(=O)[C@@H]1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1 |r|
Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)-c2ncc[nH]2)n1
CN(C)[C@@H]1CCN(C1)c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1 |r|
CN1CCC(CC1)c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1
Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccn3ccnc3c2)n1
Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc3[nH]ccc3c2)n1
Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2cnc(cn2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2cnc(nc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2ccc(s2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2ccc(cc2)[Si](C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)O)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2ccc(cc2)C2(C)CC2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
CCC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc3ocnc3c2)n1
Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccncn2)n1
Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccnnc2)n1
Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2cccnc2)n1
Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccccc2)n1
Cc1c(NC(=O)c2cc3ccccc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2cc3CCCCn3c2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2nc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2cc3COCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2ncc(cn2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2ccc(cc2)C2CC2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
CCc1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1 |(14.47,-12.78,;13.4,-12.18,;13.37,-10.64,;14.7,-9.85,;14.67,-8.31,;13.59,-7.71,;15.99,-7.51,;15.97,-5.97,;17.29,-5.18,;18.63,-5.93,;18.66,-7.47,;17.34,-8.26,;19.96,-5.14,;19.94,-3.91,;21.03,-5.74,;21.01,-4.51,;12.03,-9.89,;10.71,-10.68,;10.73,-12.22,;12.08,-12.97,;12.1,-14.51,;13.44,-15.26,;13.46,-16.8,;14.54,-17.41,;12.14,-17.59,;12.16,-18.82,;10.8,-16.84,;9.47,-17.63,;8.13,-16.87,;6.8,-17.66,;5.46,-16.9,;5.44,-15.36,;6.77,-14.58,;8.11,-15.33,;4.1,-14.6,;3.04,-15.23,;4.09,-13.06,;2.75,-12.3,;2.74,-10.76,;1.39,-10,;1.38,-8.46,;2.44,-7.84,;.04,-7.7,;.03,-6.16,;1.35,-5.38,;1.34,-3.84,;0,-3.08,;-1.32,-3.86,;-1.31,-5.4,;-2.66,-3.1,;-2.67,-2.07,;-3.73,-3.73,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.07,1.39,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.07,1.39,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;10.78,-15.3,)|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1 |(-1.18,-23.55,;-1.18,-22.32,;-2.52,-21.55,;-3.85,-22.32,;-5.18,-21.55,;-5.18,-20.32,;-6.52,-22.32,;-7.85,-21.55,;-9.19,-22.32,;-9.18,-23.86,;-7.85,-24.63,;-6.52,-23.86,;-10.52,-24.64,;-11.59,-24.02,;-10.51,-25.87,;-11.58,-25.26,;-2.52,-20.01,;-1.19,-19.24,;.15,-20,;.15,-21.54,;1.49,-22.31,;1.49,-23.85,;2.83,-24.61,;2.83,-25.85,;4.16,-23.84,;5.23,-24.45,;4.16,-22.3,;5.49,-21.52,;5.48,-19.98,;6.81,-19.2,;6.8,-17.66,;5.46,-16.9,;4.13,-17.68,;4.14,-19.22,;5.44,-15.36,;6.51,-14.74,;4.1,-14.6,;4.09,-13.06,;2.75,-12.3,;2.74,-10.76,;1.39,-10,;1.38,-8.46,;2.44,-7.84,;.04,-7.7,;.03,-6.16,;1.35,-5.38,;1.34,-3.84,;0,-3.08,;-1.32,-3.86,;-1.31,-5.4,;-2.66,-3.1,;-2.67,-2.07,;-3.73,-3.73,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.07,1.39,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.07,1.39,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;2.82,-21.54,)|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1 |(15.83,-15.08,;14.75,-14.48,;14.73,-12.94,;16.05,-12.15,;16.02,-10.61,;14.95,-10.01,;17.35,-9.81,;17.32,-8.27,;18.64,-7.48,;19.99,-8.23,;20.01,-9.77,;18.69,-10.56,;21.31,-7.44,;21.29,-6.21,;22.39,-8.04,;22.37,-6.81,;13.38,-12.19,;12.06,-12.98,;12.09,-14.52,;13.43,-15.27,;13.45,-16.81,;14.8,-17.56,;14.82,-19.1,;15.89,-19.71,;13.5,-19.89,;13.51,-21.12,;12.15,-19.14,;10.83,-19.93,;9.48,-19.17,;8.16,-19.96,;6.81,-19.2,;6.8,-17.66,;8.12,-16.88,;9.47,-17.63,;5.46,-16.9,;4.4,-17.53,;5.44,-15.36,;4.1,-14.6,;4.09,-13.06,;2.75,-12.3,;2.74,-10.76,;1.39,-10,;1.38,-8.46,;2.44,-7.84,;.04,-7.7,;.03,-6.16,;1.35,-5.38,;1.34,-3.84,;0,-3.08,;-1.32,-3.86,;-1.31,-5.4,;-2.66,-3.1,;-2.67,-2.07,;-3.73,-3.73,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.07,1.39,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.07,1.39,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;12.13,-17.6,)|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCOCCOCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1 |(18.54,-19.68,;17.46,-19.08,;17.44,-17.54,;18.76,-16.75,;18.73,-15.21,;17.66,-14.61,;20.05,-14.41,;20.03,-12.87,;21.35,-12.08,;22.7,-12.83,;22.72,-14.37,;21.4,-15.16,;24.02,-12.04,;24,-10.81,;25.1,-12.64,;25.08,-11.41,;16.09,-16.79,;14.77,-17.58,;14.8,-19.12,;16.14,-19.87,;16.16,-21.41,;17.51,-22.16,;17.53,-23.7,;18.6,-24.31,;16.2,-24.49,;16.22,-25.72,;14.86,-23.74,;13.53,-24.53,;12.19,-23.77,;10.87,-24.56,;9.52,-23.8,;9.51,-22.26,;10.83,-21.48,;12.17,-22.23,;8.17,-21.5,;7.11,-22.13,;8.15,-19.96,;6.81,-19.2,;6.8,-17.66,;5.46,-16.9,;5.44,-15.36,;4.1,-14.6,;4.09,-13.06,;2.75,-12.3,;2.74,-10.76,;1.39,-10,;1.38,-8.46,;2.44,-7.84,;.04,-7.7,;.03,-6.16,;1.35,-5.38,;1.34,-3.84,;0,-3.08,;-1.32,-3.86,;-1.31,-5.4,;-2.66,-3.1,;-2.67,-2.07,;-3.73,-3.73,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.07,1.39,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.07,1.39,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;14.84,-22.2,)|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCN(CC2)C(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1 |(-8.97,-12.95,;-7.9,-12.33,;-7.9,-10.79,;-9.23,-10.02,;-9.23,-8.47,;-8.16,-7.86,;-10.56,-7.7,;-10.56,-6.16,;-11.89,-5.39,;-13.23,-6.16,;-13.23,-7.7,;-11.9,-8.47,;-14.56,-5.38,;-14.56,-4.15,;-15.63,-6,;-15.62,-4.77,;-6.57,-10.02,;-5.23,-10.8,;-5.24,-12.34,;-6.57,-13.1,;-6.57,-14.64,;-7.91,-15.41,;-7.91,-16.95,;-8.97,-17.57,;-6.57,-17.72,;-6.57,-18.96,;-5.24,-16.95,;-3.9,-17.72,;-2.57,-16.95,;-1.23,-17.71,;.1,-16.94,;.09,-15.4,;-1.24,-14.63,;-2.57,-15.41,;1.42,-14.62,;2.49,-15.23,;1.42,-13.08,;2.74,-12.3,;2.73,-10.76,;1.39,-10,;.07,-10.78,;.08,-12.32,;1.38,-8.46,;2.44,-7.84,;.04,-7.7,;.03,-6.16,;1.35,-5.38,;1.34,-3.84,;0,-3.08,;-1.32,-3.86,;-1.31,-5.4,;-2.66,-3.1,;-2.67,-2.07,;-3.73,-3.73,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.07,1.39,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.07,1.39,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;-5.24,-15.41,)|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOC(CNC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)C2)n1 |(-1.21,-23.53,;-1.21,-22.3,;-2.54,-21.53,;-3.88,-22.29,;-5.21,-21.52,;-5.21,-20.29,;-6.55,-22.28,;-7.88,-21.51,;-9.22,-22.28,;-9.22,-23.82,;-7.89,-24.59,;-6.55,-23.82,;-10.56,-24.59,;-11.62,-23.97,;-10.56,-25.82,;-11.62,-25.2,;-2.54,-19.99,;-1.21,-19.22,;.13,-19.99,;.12,-21.53,;1.46,-22.3,;1.46,-23.84,;2.79,-24.61,;2.79,-25.84,;4.12,-23.84,;5.19,-24.46,;4.12,-22.3,;5.46,-21.53,;5.46,-19.99,;6.79,-19.21,;6.78,-17.67,;5.44,-16.91,;4.11,-17.68,;4.12,-19.22,;5.44,-15.37,;6.5,-14.75,;4.1,-14.6,;2.77,-15.38,;1.43,-14.62,;1.42,-13.08,;2.75,-12.3,;2.74,-10.76,;1.39,-10,;1.38,-8.46,;2.44,-7.84,;.04,-7.7,;.03,-6.16,;1.35,-5.38,;1.34,-3.84,;0,-3.08,;-1.32,-3.86,;-1.31,-5.4,;-2.66,-3.1,;-2.67,-2.07,;-3.73,-3.73,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.07,1.39,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.07,1.39,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;4.09,-13.06,;2.79,-21.53,)|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(NC(C)=O)c2)CC1
Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CN[C@@H](C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC
Cc1cc(C)c2c(N)c(sc2n1)C(N)=O
NC(=O)c1sc(cc1N)-c1ccccc1
NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1OC1CCN(C)CC1)C(F)(F)F
Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
NC(=O)c1nnc2c(cccc2c1N)-c1ccc2cn[nH]c2c1
NC(=O)c1nnc2c(cccc2c1N)-c1ccc2cc[nH]c2c1
Cc1ccncc1-c1cccc2c(N)c(nnc12)C(N)=O
Cn1cc(cn1)-c1cccc2c(N)c(nnc12)C(N)=O
c1ccc2c(c1)c(c(nn2)C(=O)N)N
CNc1ncnc(n1)-c1cccnc1Oc1cc(NC(=O)c2cccc(OC(F)(F)C(F)F)c2)ccc1C
CN(C(=O)C1CCCCC1)c1ccc2n(CCCN)c(NC(=O)c3cccs3)nc2c1
CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl
Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1
Nc1ncc(-c2cn[nH]c2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
CCCCc1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1
Nc1ncc(C2CC2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncc(-c2ccco2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
COc1ccc2cc(ccc2c1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1
Nc1ncc(-c2ccc(Oc3ccccc3)cc2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncc(-c2ccc(cc2)N2CCOCC2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncc(-c2ccncc2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncc(-c2ccccc2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
CNC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)c2cccc(Cl)c2)cc1
Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)c2cccc(Cl)c2)cc1
CNC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(cc1)C(=O)Nc1ccccc1
CNC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1cccc(c1)C(=O)Nc1ccccc1
CC(=O)n1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1
CN(C)S(=O)(=O)n1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1
CNC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1
COCCCn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1
Nc1ncc(-c2cnn(Cc3ccccc3)c2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
CCCCn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1
CCn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1
Nc1ncc(-c2cnn(c2)C(=O)C=C)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncc(-c2cnn(CCNC(=O)C=C)c2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncc(-c2cnn(CCC(O)=O)c2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
CS(=O)(=O)OC1CCCN(C1)C(=O)CCn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1
CNC(=O)CCn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1
Nc1ncc(-c2cnn(CC#C)c2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
CC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1
Nc1ncc(-c2cnn(c2)C2CCCNC2=O)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncc(-c2cnn(CC(=O)N3CCOCC3)c2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncc(-c2cnn(CC(=O)N3CCCCC3)c2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncc(C2CCNCC2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncc(C2=CCN(CC2)C(=O)C=C)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 |t:5|
Nc1ncc(C2=CCNCC2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 |t:5|
CC(C)(C)OC(=O)N1CCC(=CC1)c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1 |c:10|
Nc1ncc(C2CCCN(C2)C(=O)C=C)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncc(C2CCCNC2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncc(C2=CN(CCC2)C(=O)C=C)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 |t:5|
CNC(=O)CN1CCCC(=C1)c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1 |c:9|
Nc1ncc(C2=CNCCC2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 |t:5|
CC(C)(C)OC(=O)N1CCCC(=C1)c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1 |c:11|
CN1CCN(CC1)C(=O)c1ccc2[nH]c3c(ccc(-c4ccccc4F)c3c2c1)C(N)=O
COc1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3ccc(cc3c12)C(=O)N1CCN(C)CC1
CN1CCN(CC1)C(=O)c1ccc2[nH]c3c(ccc(-c4cccc(NC(C)=O)c4)c3c2c1)C(N)=O
COc1ccc(cc1)-c1ccc(C(N)=O)c2[nH]c3ccc(cc3c12)C(=O)N1CCN(C)CC1
CN1CCN(CC1)C(=O)c1ccc2[nH]c3c(ccc(-c4ccc(NC(C)=O)cc4)c3c2c1)C(N)=O
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O
COc1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3)c21)C(N)=O
COc1ccc(cc1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccc(NC(C)=O)cc3)c21)C(N)=O
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3C)c21)C(N)=O
COc1ccccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3Cl)c21)C(N)=O
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(Cl)c3)c21)C(N)=O
CNC(=O)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccc(Cl)cc3)c21)C(N)=O
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccc(cc3)C(C)(C)C)c21)C(N)=O
CNC(=O)c1ccc(cc1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccc(Oc4ccccc4)cc3)c21)C(N)=O
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccc(Cl)c(Cl)c3)c21)C(N)=O
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(Cl)c3Cl)c21)C(N)=O
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(F)c3F)c21)C(N)=O
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(Cl)c3C)c21)C(N)=O
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(N)c3C)c21)C(N)=O
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccc(F)cc3F)c21)C(N)=O
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cc(F)ccc3F)c21)C(N)=O
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3c(F)cccc3F)c21)C(N)=O |(10.57,1.6,;9.47,.96,;9.48,-.63,;8.1,-1.43,;6.72,-.64,;6.72,.95,;8.09,1.75,;5.34,-1.43,;5.35,-2.71,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.29,4.03,;-.18,3.4,;-1.3,5.62,;-2.68,6.41,;-4.05,5.6,;-4.04,4.01,;-5.14,3.36,;-1.3,.87,;-2.68,-2.99,;-1.59,-3.65,;-3.79,-3.6,)|
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccccc4)c3C)c21)C(N)=O
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccc(F)cc4)c3C)c21)C(N)=O
CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccc(cc4)C(C)(C)C)c3C)c21)C(N)=O
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccc(F)cc4)c3F)c21)C(N)=O
CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)c21)C(N)=O
COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1CCOCC1
NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N1CCOCC1)-c1cccc(Cl)c1
COc1ccc(cc1)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1CCOCC1
NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N1CCOCC1)-c1ccc(Cl)cc1
NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N1CCOCC1)-c1ccc(Cl)c(Cl)c1
CN1CCN(CC1)C(=O)c1ccc2[nH]c3c(cc(cc3c2c1)-c1ccc(Cl)cc1)C(N)=O
COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCN(C)CC1
COc1ccc(cc1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCN(C)CC1
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1ccc(Cl)c(Cl)c1)C(N)=O
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1cccc(NC(C)=O)c1)C(N)=O
CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br
CCOc1ccccc1Oc1nc(Nc2ccc(cc2)N2CCNCC2)ncc1C(=O)Nc1c(C)cccc1C
COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc12
COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)c(F)c3)nc12
CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1
N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r|
OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12|
OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5|
CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5cccnc5s4)c3C)cc2C1
CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ncccc5s4)c3C)cc2C1
CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ccccc5s4)c3)cc2C1
CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(C)c(NC(=O)c4cc5ccccc5s4)c3F)cc2C1
CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(C)c(NC(=O)c4cc5ccccc5s4)c3C)cc2C1
CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ccccc5s4)c3F)cc2C1
Cc1c(ccc(c1NC(=O)c2cc3ccccc3s2)F)C4=NNC(=O)C(=C4)Nc5cc6n(n5)CCN(C6)C
CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3cccc(NC(=O)c4cc5ccccc5s4)c3C)cc2C1
CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cnc(cn4)C(C)(C)C)c3C)cc2C1
CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4ccc(cc4)C(C)(C)C)c3C)cc2C1
CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(C)c(NC(=O)c3cc4CCCCc4s3)c2C)cc1
CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(C)c(NC(=O)c3cc4CCCCc4s3)c2Cl)cc1
CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(Cl)c(NC(=O)c3cc4CCCCc4s3)c2F)cc1
CN1CCN(C)C(=O)[C@H]1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(C)c(NC(=O)c3cc4CCCCc4s3)c2F)cc1 |r|
CN1CCN(C)C(=O)[C@@H]1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(C)c(NC(=O)c3cc4CCCCc4s3)c2F)cc1 |r|
CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(F)c(NC(=O)c3cc4CCCCc4s3)c2C)cc1
CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(Cl)c(NC(=O)c3cc4CCCCc4s3)c2Cl)cc1
CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(F)c(NC(=O)c3cc4CCCCc4s3)c2F)cc1
CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(Cl)c(NC(=O)c3cc4CCCCc4s3)c2C)cc1
CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(F)c(NC(=O)c3cc4CCCCc4s3)c2)cc1
CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(Cl)c(NC(=O)c3cc4CCCCc4s3)c2)cc1
CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(C#N)c(NC(=O)c3cc4CCCCc4s3)c2)cc1
CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2Cl)cc1
CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2F)cc1
CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2)cc1
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|
[H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|
COCCn1c2cnc(Nc3ccc(OC)nc3)nc2n(-c2cccc(NC(=O)C=C)c2)c1=O
COc1ccc(Nc2ncc3n(C4CCOCC4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cn1
COCCOc1ccc(Nc2ncc(SC)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
COCCOc1ccc(Nc2ncc([S+](C)[O-])c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
COCCOc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)S(C)(=O)=O)cc1
CSc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Nc1cccc(NC(=O)C=C)c1
C[S+]([O-])c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Nc1cccc(NC(=O)C=C)c1
CN(C)c1ccc(Nc2ncc([S+](C)[O-])c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
CNC(=O)c1cc(Oc2ccc(Nc3ncc([S+](C)[O-])c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)ccn1
CNC(=O)c1cc(Oc2ccc(Nc3ncc4n(C)c(=O)n(-c5cccc(NC(=O)C=C)c5)c4n3)cc2)ccn1
COCCOc1ccc(Nc2ncc3n(C)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2n(CC2CC2)c1=O
CN(C)c1ccc(Nc2ncc3n(CC4CC4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cn1
COc1ccc(Nc2ncc3n(CC4CC4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cn1
Nc1ncnc(NC2CCN(CC2)C(=O)C=C)c1C(=O)c1ccc(Oc2ccccc2)cc1
CCOc1ccc(cc1)C(=O)c1c(N)ncnc1N[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc(N[C@@H]2CCCN(C2)C(=O)C=C)c1C(=O)c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc(N2CCN(CC2)C(=O)C=C)c1C(=O)c1ccc(Oc2ccccc2)cc1
CCOc1ccc(cc1)C(=O)c1c(N)ncnc1N1CCN(CC1)C(=O)C=C
Nc1ncnc2n([C@@H]3CCCN(C3)C(=O)C=C)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12 |r|
CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3sccc3n2)cc1
CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21
CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(O)=N)c2[nH]c3cc(ccc3c12)C(C)(C)O
CC(C)(O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(c3)-n3cnc4ccccc4c3=O)c21)C(N)=O
Cc1cc(C(O)=N)c2[nH]c3cc(ccc3c2c1-c1cccc(c1C)-n1c(=O)n(C)c2c(F)cccc2c1=O)C(C)(C)O |(-.98,-2.55,;.51,-2.18,;1.58,-3.29,;3.08,-2.91,;4.15,-4.02,;5.64,-3.65,;3.72,-5.5,;3.5,-1.43,;5.03,-1.59,;6.31,-.73,;7.58,.13,;7.47,1.67,;6.09,2.34,;4.81,1.48,;4.92,-.06,;2.43,-.33,;.93,-.7,;-.14,.41,;.29,1.89,;-.78,2.99,;-2.28,2.62,;-2.7,1.14,;-1.63,.03,;-2.05,-1.45,;-4.2,.77,;-4.62,-.71,;-3.55,-1.82,;-6.11,-1.09,;-6.54,-2.57,;-7.18,.02,;-8.68,-.35,;-9.1,-1.84,;-9.75,.75,;-9.32,2.23,;-7.83,2.61,;-6.76,1.5,;-5.27,1.87,;-4.84,3.35,;8.75,2.53,;7.89,3.81,;9.61,1.25,;10.03,3.39,)|
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(cc(C(O)=N)c2[nH]c3cc(ccc3c12)C(C)(C)O)C#N |(-2.03,-1.34,;-1.6,.13,;-.1,.5,;.33,1.98,;-.74,3.09,;-2.23,2.73,;-2.66,1.25,;-4.16,.88,;-4.59,-.6,;-3.52,-1.71,;-6.08,-.97,;-6.51,-2.44,;-7.15,.15,;-8.65,-.22,;-9.08,-1.7,;-9.71,.89,;-9.28,2.37,;-7.78,2.74,;-6.72,1.63,;-5.22,1.99,;-4.79,3.47,;.96,-.61,;.53,-2.09,;1.6,-3.2,;3.09,-2.84,;4.16,-3.95,;5.66,-3.58,;3.73,-5.43,;3.52,-1.36,;5.06,-1.52,;6.34,-.67,;7.62,.19,;7.51,1.73,;6.13,2.41,;4.85,1.55,;4.95,.01,;2.46,-.24,;8.79,2.58,;7.94,3.86,;9.65,1.3,;10.07,3.44,;-.96,-2.46,;-2.46,-2.82,)|
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3C[C@H](CCc3c12)C(C)(C)O |r,wD:32.42,(74.94,-7.74,;73.61,-8.52,;72.28,-7.75,;70.95,-8.52,;70.95,-10.06,;72.28,-10.83,;73.62,-10.05,;74.95,-10.82,;74.95,-12.36,;73.62,-13.12,;76.28,-13.12,;76.28,-14.66,;77.61,-12.35,;78.94,-13.12,;78.94,-14.66,;80.27,-12.35,;80.27,-10.8,;78.93,-10.04,;77.61,-10.81,;76.27,-10.04,;76.27,-8.5,;72.28,-6.22,;73.62,-5.45,;73.61,-3.9,;72.28,-3.13,;72.27,-1.59,;73.61,-.82,;70.94,-.83,;70.95,-3.9,;69.48,-3.42,;68.58,-4.67,;67.04,-4.82,;66.4,-6.23,;67.31,-7.48,;68.85,-7.33,;69.48,-5.92,;70.95,-5.45,;64.9,-5.82,;63.81,-4.73,;65.3,-4.33,;63.81,-6.91,)|
[H][C@@]1(CCc2c(C1)[nH]c1c(cc(F)c(-c3cccc(c3C)-n3c(=O)n(C)c4c(F)cccc4c3=O)c21)C(O)=N)C(C)(C)O |r,wU:1.0,(7.64,3.3,;7.24,1.81,;5.84,2.47,;4.58,1.59,;4.71,.05,;6.1,-.6,;7.37,.28,;4.84,-1.48,;3.3,-1.34,;2.9,-2.83,;1.41,-3.22,;.33,-2.13,;-1.16,-2.53,;.73,-.64,;-.36,.45,;.05,1.93,;-1.04,3.03,;-2.53,2.63,;-2.93,1.15,;-1.85,.05,;-2.25,-1.43,;-4.42,.75,;-4.82,-.73,;-3.74,-1.83,;-6.31,-1.13,;-6.71,-2.62,;-7.4,-.04,;-8.89,-.43,;-9.29,-1.92,;-9.97,.66,;-9.57,2.15,;-8.08,2.54,;-6.99,1.45,;-5.51,1.84,;-5.1,3.33,;2.22,-.25,;3.99,-3.92,;5.48,-3.53,;3.58,-5.41,;8.77,1.67,;8.91,3.21,;8.63,.14,;10.3,1.53,)|
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(F)cc(C(O)=N)c2[nH]c3cc(ccc3c12)C(C)(C)O |(-2.05,-1.45,;-1.63,.03,;-.14,.41,;.29,1.89,;-.78,2.99,;-2.28,2.62,;-2.7,1.14,;-4.2,.77,;-4.62,-.71,;-3.55,-1.82,;-6.11,-1.09,;-6.54,-2.57,;-7.18,.02,;-8.68,-.35,;-9.1,-1.84,;-9.75,.75,;-9.32,2.23,;-7.83,2.61,;-6.76,1.5,;-5.27,1.87,;-4.84,3.35,;.93,-.7,;.51,-2.18,;-.98,-2.55,;1.58,-3.29,;3.08,-2.91,;4.15,-4.02,;5.64,-3.65,;3.72,-5.5,;3.5,-1.43,;5.03,-1.59,;6.31,-.73,;7.58,.13,;7.47,1.67,;6.09,2.34,;4.81,1.48,;4.92,-.06,;2.43,-.33,;8.75,2.53,;7.89,3.81,;9.61,1.25,;10.03,3.39,)|
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3C[C@@H](CCc3c12)C(C)(C)O |r,wU:33.43,(73.77,-22.36,;72.44,-23.13,;71.11,-22.37,;69.77,-23.14,;69.77,-24.68,;71.11,-25.45,;72.45,-24.67,;73.78,-25.43,;73.78,-26.97,;72.44,-27.74,;75.1,-27.74,;75.11,-29.28,;76.44,-26.97,;77.77,-27.73,;77.77,-29.27,;79.1,-26.96,;79.09,-25.42,;77.76,-24.66,;76.44,-25.43,;75.1,-24.66,;75.09,-23.12,;71.11,-20.83,;72.45,-20.06,;73.78,-20.83,;72.44,-18.51,;71.1,-17.75,;71.1,-16.21,;72.43,-15.44,;69.77,-15.44,;69.78,-18.52,;68.31,-18.04,;67.4,-19.28,;65.87,-19.44,;65.23,-20.84,;66.14,-22.1,;67.67,-21.94,;68.3,-20.54,;69.77,-20.06,;63.73,-20.44,;62.63,-19.34,;64.13,-18.94,;62.64,-21.53,)|
Cc1c(cccc1-n1c(=O)n(C)c2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(15.19,-30.14,;13.85,-30.89,;12.53,-30.1,;11.19,-30.85,;11.16,-32.39,;12.48,-33.18,;13.83,-32.42,;15.15,-33.2,;15.13,-34.74,;13.78,-35.5,;16.45,-35.53,;16.43,-37.08,;17.79,-34.77,;19.11,-35.56,;20.45,-34.81,;20.47,-33.27,;19.15,-32.49,;17.82,-33.24,;16.49,-32.44,;16.51,-30.91,;12.56,-28.57,;13.91,-27.82,;13.92,-26.27,;12.6,-25.48,;12.62,-23.95,;13.96,-23.19,;11.29,-23.16,;11.26,-26.24,;9.79,-25.73,;8.86,-26.97,;7.33,-27.11,;6.68,-28.5,;7.55,-29.76,;9.09,-29.64,;9.75,-28.24,;11.23,-27.78,;5.14,-28.62,;3.74,-27.97,;5.01,-27.08,;4.49,-30.01,)|
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3C[C@@H](CCc3c12)C(C)(C)O |r,wU:32.42,(57.41,-37.92,;56.08,-38.69,;54.75,-37.93,;53.42,-38.69,;53.42,-40.23,;54.75,-41,;56.09,-40.23,;57.42,-40.99,;57.42,-42.53,;56.08,-43.3,;58.75,-43.3,;58.75,-44.83,;60.08,-42.52,;61.41,-43.29,;61.41,-44.83,;62.74,-42.52,;62.73,-40.98,;61.4,-40.22,;60.08,-40.99,;58.74,-40.21,;58.74,-38.67,;54.75,-36.39,;56.09,-35.62,;56.08,-34.07,;54.75,-33.31,;54.74,-31.77,;56.07,-30.99,;53.41,-31,;53.42,-34.07,;51.95,-33.59,;51.04,-34.84,;49.51,-34.99,;48.87,-36.4,;49.78,-37.66,;51.31,-37.5,;51.94,-36.1,;53.42,-35.62,;47.37,-36,;46.28,-34.9,;47.77,-34.5,;46.28,-37.08,)|
CC(C)(O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(c3F)-n3cnc4ccccc4c3=O)c21)C(N)=O
C=CC(=O)Nc1cccc(c1)-n1cnc2cnc(Nc3ccc(OCCCN4CCOCC4)cc3)nc12
COc1cc(ccc1Nc1ncc2ncn(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1
C=CC(=O)Nc1cccc(c1)-n1cnc2cnc(Nc3ccc(cc3)N3CCOCC3)nc12
COc1cc(ccc1Nc1ncc2[nH]c(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCOCC1
CCN1CCN(CC1)c1ccc(Nc2ncc3[nH]c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
CC1CN(CCN1S(C)(=O)=O)c1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
CCN1CCN(CC1)c1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
CCN1CCN(CC1)c1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)c(OC)c1
COc1cc(ccc1Nc1ncc2ncn(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(CC1)S(C)(=O)=O
CC1CN(CCN1C(C)=O)c1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COc1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COc1cc(F)cc(c1)-c1nn(C2CCc3ccccc23)c2ncnc(N)c12
Nc1ncnc2n(nc(-c3ccc(F)c(O)c3)c12)C1Cc2ccccc2C1
Nc1ncnc2n(nc(-c3cc(O)c(F)c(F)c3)c12)C1Cc2ccccc2C1
Cc1ccc(cc1O)-c1nn(C2Cc3ccccc3C2)c2ncnc(N)c12
COc1cc(F)cc(c1)-c1nn(C2Cc3ccccc3C2)c2ncnc(N)c12
Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1Cc2ccccc2C1
Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1CCc2ccccc2C1
Nc1ncnc2n(nc(-c3ccc(Br)c(O)c3)c12)C1Cc2ccccc2C1
COc1ccc(cc1O)-c1nn(C2Cc3ccccc3C2)c2ncnc(N)c12
Nc1ncnc2n(nc(-c3cc(F)c4OCCNc4c3)c12)C1Cc2ccccc2C1
Nc1ccc2CC(Cc2c1)n1nc(-c2cc(F)c3OCCNc3c2)c2c(N)ncnc12
Nc1ccc2CCC(Cc2c1)n1nc(-c2cc(F)c3OCCNc3c2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1
Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1CCc2ccccc12
Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O |(2.13,-14.38,;2.12,-12.84,;3.46,-12.06,;3.45,-10.52,;2.1,-9.75,;.77,-10.55,;.79,-12.08,;-.54,-12.85,;-.54,-14.41,;.81,-15.18,;.81,-16.72,;-.43,-17.63,;.05,-19.1,;-.74,-20.41,;-2.27,-20.38,;-3.06,-21.69,;-4.6,-21.66,;-2.32,-23.04,;-.78,-23.06,;-.03,-24.4,;.01,-21.74,;1.59,-19.09,;2.62,-20.22,;2.15,-21.69,;4.12,-19.9,;4.59,-18.43,;3.56,-17.3,;2.07,-17.63,;-1.87,-15.18,;-3.21,-14.41,;-4.55,-15.19,;-5.88,-14.42,;-5.87,-12.87,;-4.55,-12.1,;-4.56,-10.56,;-3.21,-12.87,;-1.88,-12.1,;-1.89,-10.56,)|
COc1cc(F)cc(c1)-c1nn(C2CCc3ccccc3C2)c2ncnc(N)c12
Nc1ncnc2n(nc(-c3cc(O)cc(Cl)c3)c12)C1Cc2ccccc2C1
Nc1ncnc2n(nc(-c3ccc(Cl)c(O)c3)c12)C1Cc2ccccc2C1
CCOP(=O)(CCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1)OCC
CCOP(=O)(CCCOc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1)N1CCOCC1
CCOP(=O)(Cc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1)OCC
CCOP(=O)(CCCOc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1)OCC
CCOP(=O)(Cc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1)N1CCOCC1
CCOP(=O)(Cc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1)OCC
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ncnc2sc(cc12)-c1ccncc1
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1F)C(=O)Nc1ccon1
COc1cc(O)c2c(CCC[C@H](O)CC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:17.17|
CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Cc1ccc(cc1N2C=NC(=C(C2=O)Cl)OCc3ccc(cc3F)F)C(=O)NCCO
CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)c1
CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
COCCN(CCOC)c1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
COCCN(CCOC)C(=O)COc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
COCCN(CCOC)C(=O)COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
COCCN(CCOC)C(=O)COc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1Cl
COCCN(CCOC)CC(=O)Nc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
COCCN(CCOC)CC(=O)Nc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1C
Fc1cnc(Nc2ccc(OCC3CCCO3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
Clc1cnc(Nc2ccc(OCC(=O)OCC3CCCO3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
COCCN(CCOC)CC(=O)Nc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1OC
COCCN(CCOC)c1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
COCCN(CCOC)CC(=O)Nc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Clc1cnc(Nc2ccc(OCC3CCCO3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
CC1(CCC(CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |(54.12,-18.63,;52.59,-18.63,;51.05,-18.56,;50.33,-17.21,;51.16,-15.9,;52.7,-15.96,;53.41,-17.33,;50.43,-14.54,;51.34,-13.29,;50.43,-12.04,;50.91,-10.58,;52.42,-10.26,;52.9,-8.8,;51.86,-7.65,;50.35,-7.97,;49.88,-9.44,;52.34,-6.18,;51.3,-5.04,;53.85,-5.86,;54.32,-4.39,;53.28,-3.26,;53.76,-1.79,;55.27,-1.47,;56.3,-2.61,;55.83,-4.08,;52.72,-.65,;51.77,.39,;52.96,.95,;51.11,-.74,;48.96,-12.51,;47.64,-11.74,;47.64,-10.2,;46.31,-12.51,;46.31,-14.06,;47.64,-14.82,;48.96,-14.06,;53.3,-19.99,;52.48,-21.29,;54.83,-20.06,)|
CS(=O)(=O)NC(=O)[C@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCC[C@@H](C1)c1nn[nH]n1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCC[C@@H](C1)c1nnc[nH]1 |r|
Cn1nnc(n1)[C@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Cn1nnnc1[C@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
NC(=O)[C@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:29.32,wD:32.39,(52.42,-33.78,;52.42,-35.32,;51.1,-36.09,;51.1,-37.63,;52.42,-38.4,;53.75,-37.64,;55.22,-38.11,;56.13,-36.86,;55.22,-35.62,;55.69,-34.16,;57.2,-33.84,;57.68,-32.38,;56.65,-31.23,;55.13,-31.56,;54.67,-33.02,;57.12,-29.77,;56.09,-28.62,;58.63,-29.45,;59.1,-27.98,;58.07,-26.85,;58.53,-25.39,;60.05,-25.06,;61.08,-26.2,;60.6,-27.67,;57.5,-24.24,;56.56,-23.21,;57.74,-22.65,;55.9,-24.33,;53.75,-36.09,;55.95,-39.47,;57.48,-39.53,;58.2,-40.9,;57.37,-42.2,;55.83,-42.13,;55.12,-40.77,;58.08,-43.57,;57.26,-44.87,;59.62,-43.63,)|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@]12CC[C@@](CC1)(CCC2)C(O)=O |r,wU:29.32,32.43,(2.92,-37.12,;2.92,-38.66,;1.59,-39.44,;1.59,-40.98,;2.92,-41.74,;4.24,-40.98,;5.71,-41.47,;6.62,-40.21,;5.71,-38.97,;6.19,-37.51,;7.7,-37.19,;8.17,-35.73,;7.14,-34.58,;5.62,-34.9,;5.16,-36.37,;7.62,-33.11,;6.58,-31.98,;9.13,-32.79,;9.6,-31.33,;8.56,-30.19,;9.03,-28.73,;10.54,-28.4,;11.57,-29.55,;11.1,-31.02,;8,-27.59,;7.05,-26.56,;8.24,-26,;6.39,-27.68,;4.24,-39.44,;6.44,-42.82,;7.97,-42.88,;8.68,-44.25,;7.86,-45.54,;6.32,-45.48,;5.61,-44.13,;9.47,-44.29,;9.08,-42.82,;7.75,-42.05,;8.57,-46.91,;7.74,-48.22,;10.11,-46.98,)|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@]12CC[C@@](CC1)(C2)C(O)=O |r|
C[C@@]1(CCC[C@](C)(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
C[C@]1(CC[C@@](C)(CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r,wU:4.8,1.41,(41.47,-42.39,;39.94,-42.39,;40.76,-41.1,;40.05,-39.72,;38.52,-39.67,;39.27,-38.33,;37.69,-40.97,;38.4,-42.32,;37.78,-38.31,;38.7,-37.05,;37.78,-35.8,;38.26,-34.34,;39.78,-34.03,;40.25,-32.56,;39.21,-31.41,;37.7,-31.74,;37.23,-33.2,;39.69,-29.95,;38.66,-28.81,;41.2,-29.62,;41.68,-28.16,;40.64,-27.02,;41.11,-25.56,;42.62,-25.23,;43.65,-26.38,;43.18,-27.85,;40.08,-24.42,;39.13,-23.38,;40.31,-22.83,;38.47,-24.51,;36.32,-36.28,;34.99,-35.5,;34.99,-33.96,;33.66,-36.28,;33.66,-37.82,;34.99,-38.59,;36.32,-37.82,;40.65,-43.76,;39.83,-45.05,;42.19,-43.82,)|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCC[C@@H](C1)c1noc(=O)[nH]1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCC[C@@H](C1)c1n[nH]c(=O)o1 |r|
CC(C)[C@]1(CC[C@](C)(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1COC1 |t:38|
CN(C)C(=O)c1ccc(cc1)-c1nc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
CN(C)C(=O)N1CCC(=CC1)c1cc2c(cccc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8|
CC(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
COc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)-c1ccc(O)cc1
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]ccc12
CN(C)S(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:9|
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N1CCOCC1 |t:38|
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8|
CC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:6|
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:38|
Cn1ccc(n1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
COc1ccc(cn1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
CC(=O)c1cc(cs1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCCCC1
CN(C)C(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Nc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Cc1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)C1CC1 |t:38|
CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:7|
COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)C#CCN1CCOCC1
COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)C#CCN1CCCCC1
COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)C(=C)CN1CCOCC1
COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)\C=C\CN(C)C
COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1N(CC1CC1)C(=O)\C=C\CN(C)C
CCN(C(=O)\C=C\CN(C)C)c1cc2c(cc1OC)nc(Nc1ccccc1C)c1cncn21
CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3ccccc3C)c3cncn3c2c1
CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Cl)c3cncn3c2c1
CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)c3cncn3c2c1
CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cc(F)ccc3C)c3cncn3c2c1
CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3ccc(F)cc3C)c3cncn3c2c1
CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cccc(F)c3C)c3cncn3c2c1
CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1
CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cc(Cl)ccc3C)c3cncn3c2c1
CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3ccc(Cl)cc3C)c3cncn3c2c1
CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cccc(Cl)c3C)c3cncn3c2c1
CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3c(C)cccc3O)c3cncn3c2c1
CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cc(O)ccc3C)c3cncn3c2c1
CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3ccc(O)cc3C)c3cncn3c2c1
CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cccc(O)c3C)c3cncn3c2c1
CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21
CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1Cl)c1cncn21
CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1cc(F)ccc1C)c1cncn21
CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccc(F)cc1C)c1cncn21
CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1Cl)nc(Nc1ccccc1C)c1cncn21
CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1Cl)nc(Nc1ccccc1Cl)c1cncn21
CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1Cl)nc(Nc1cc(F)ccc1C)c1cncn21
CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1Cl)nc(Nc1ccc(F)cc1C)c1cncn21
CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Oc1ccccc1C)c1cncn21
CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Oc1cc(F)ccc1C)c1cncn21
CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Oc1ccc(F)cc1C)c1cncn21
CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Oc3ccc(F)cc3C)c3cncn3c2c1
CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Sc3ccccc3C)c3cncn3c2c1
CNc1ccc2nc(Nc3cc(F)ccc3C)c3cncn3c2c1
CNc1ccc2nc(Oc3ccc(F)cc3C)c3cncn3c2c1
CNc1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21
CNc1cc2c(cc1F)nc(Oc1ccccc1C)c1cncn21
[O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|
CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C
C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccc(F)cc3[nH]1)c1ccccc21 |r|
CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12
CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12
Cc1c2ccc(cc2[nH]n1)Nc3nc4ccoc4c(n3)NC5CC5
CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1C
CCC(=O)Nc1cc(Nc2ncc(C(=O)Nc3cc(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc3C)c(NC)n2)ccc1C
CCOc1cc(\C=C2/Oc3ccc(OC)cc3C2=O)ccc1O
COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1
Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
COc1cc(OC)c(F)c(COc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)c1F
COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(Nc3c(C)cccc3NC(=O)C=C)ncc2c1
COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2)c1F |r|
Fc1cccc(Cl)c1CNc1nc(n[nH]1)-c1cccc(NC(=O)C=C)c1
Fc1cccc(Cl)c1CNc1nc(n[nH]1)-c1ccco1
Fc1cccc(Cl)c1CNc1nc(n[nH]1)-c1ccccc1
Oc1cccc(c1)-c1n[nH]c(NCc2c(F)cccc2Cl)n1
CNc1cccc(c1)-c1n[nH]c(NCc2c(F)cccc2Cl)n1
COc1ccc(cc1N)-c1n[nH]c(NCc2c(F)cccc2Cl)n1
COc1ccc(cc1OC)-c1n[nH]c(NCc2c(F)cccc2Cl)n1
Nc1cccc(c1)-c1n[nH]c(NCc2c(F)cccc2Cl)n1
Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1ccnc(N2CCn3c4CCCCc4cc3C2=O)c1CO
Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1nccc(N2CCn3c4CCCCc4cc3C2=O)c1CO
CC1C=C(C=C(Nc2ccc(cc2)N2CCN(CC2)C2COC2)C1=O)c1ccnc(N2CCc3c4CCCCc4sc3C2=O)c1CO |c:2,t:4|
CC1C=C(C=C(Nc2ccc(cc2)N2CCN(CC2)C2COC2)C1=O)c1ccnc(N2CCc3c4CC(C)(C)Cc4sc3C2=O)c1CO |c:2,t:4|
CC1C=C(C=C(Nc2ccc(cc2)N2CCN(CC2)C2COC2)C1=O)c1ccnc(c1CO)-n1ccn2c3CCCCc3cc2c1=O |c:2,t:4|
CC1C=C(C=C(Nc2ccc(cc2)N2CCN(CC2)C2COC2)C1=O)c1ccnc(N2CCn3c4CCCCc4c(F)c3C2=O)c1CO |c:2,t:4|
Cn1cc(cc(Nc2cccc(n2)N2CCN(CC2)C2COC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
CC(=O)N1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1
CC(=O)N1CC2(C1)CN(C2)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1
COCCCN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1
Cn1cc(cc(Nc2ccc(cn2)N2CCN(CCC(F)(F)F)CC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Cn1cc(cc(Nc2ccc(cn2)C2CN(C2)C2COC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
C[C@@H]1CN(C)CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CCCCc5cc4C3=O)c2CO)nc1 |r|
C[C@H]1CN(CCN1C)c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CCCCc5cc4C3=O)c2CO)nc1 |r|
C[C@@H]1CN(CCN1C)c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CCCCc5cc4C3=O)c2CO)nc1 |r|
C[C@H]1CN(CCN1c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4ccnc(c4CO)N5CCn6c(cc7c6CC(C7)(C)C)C5=O)C8COC8
CC[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1cnc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)cn1)C1COC1 |r|
Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2CCOCC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
C[C@@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(nn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r|
C[C@@H]1CN([C@@H](C)CN1C1COC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1 |r|
Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1cncc(N2CCn3c4CCCCc4cc3C2=O)c1CO
CC1C=C(C=C(Nc2ccc(cc2)N2CCN(CC2)C2COC2)C1=O)c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO |c:2,t:4|
CC1C=C(C=C(Nc2ccc(cc2)N2CCN(CC2)C2COC2)C1=O)c1ccnc(N2Cc3cc(sc3C2=O)C(C)(C)C)c1CO |c:2,t:4|
COCCN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1
C[C@H]1CN(C)CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CCCCc5cc4C3=O)c2CO)nc1 |r|
Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=C3)Nc4ccc(c(c4)NC(=O)C=C)C(=O)N5CCOCC5)C
CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(NC2CCCC(C2)NC(=O)C=C)c(=O)n(C)c1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(NC2CCN(CC2)C(=O)C=C)c(=O)n(C)c1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(NC2CCCN(C2)C(=O)C=C)c(=O)n(C)c1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(N2CCC(CC2)NC(=O)C=C)c(=O)n(C)c1
COC1CCN(CC1)C(=O)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)N(C)C)c2C)cc1NC(=O)C=C
CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCC(O)CC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
CCOCCN(CCOCC)C(=O)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)N(C)C)c2C)cc1NC(=O)C=C
COCCNC(=O)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)N(C)C)c2C)cc1NC(=O)C=C
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)N3CCCC(O)C3)c(NC(=O)C=C)c2)c(=O)n(C)c1
Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
CN1CCN(CC1)C(=O)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc1NC(=O)C=C
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)NC3CC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)N3CCCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
CN(C)C(=O)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc1NC(=O)C=C
Cc1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc1NC(=O)C=C
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2cccc(NC(=O)C=C)c2)c(=O)n(C)c1
Cc1c(NC(=O)c2ccc3CCCCc3c2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
Cc1c(NC(=O)c2ccc3OCOc3c2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
COc1ccc(cc1OC)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
Cc1ccc(cc1C(F)(F)F)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
Cc1c(NC(=O)c2cccc(c2)C(F)(F)F)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
Cc1c(NC(=O)c2ccc(cc2)N2CCOCC2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
Cc1c(NC(=O)c2ccc(cc2)N2CCCC2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
Cc1c(NC(=O)c2ccc(cc2)C(F)(F)F)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
CCc1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
Cc1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
Cc1c(NC(=O)c2ccccc2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)CCl)c2)c(=O)n(C)c1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)ccc(NC(=O)C=C)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCOCC2)c(=O)n(C)c1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(cc2NC(=O)C=C)C(=O)N2CCOCC2)c(=O)n(C)c1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(cc2)C(=O)N2CCOCC2)c(=O)n(C)c1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)c(NC(=O)C=C)c2)c(=O)n(C)c1
COC(=O)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc1NC(=O)C=C
COc1cc(cc(OC)c1OC)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
Cc1c(NC(=O)c2ccc3OCCOc3c2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
COc1cccc(c1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
COc1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
CC(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
CCC(=O)Nc1cc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)ccc1C(=O)N1CCOCC1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(N2CCCC(C2)NC(=O)C=C)c(=O)n(C)c1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCCC(O)C3)c(NC(=O)C=C)c2)c(=O)n(C)c1
COC1CCN(CC1)C(=O)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc1NC(=O)C=C
CC(C)(NC1COC1)\C=C(/C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-n2nc(-c3ccc(OCCN4CCOCC4)cc3)c3c(N)ncnc23)no1
CCN(CC)CCCC(C)Nc1nc(\C=C\c2c(Cl)cc(Cl)cc2Cl)nc2ccc(N)cc12
Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3c(cc4CCCCn34)C2=O)c1CO
Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCn3c4CCCCc4nc3C2=O)c1CO
Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2Cc3nc(sc3C2=O)C(C)(C)C)c1CO
Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2Cc3cc(ccc3C2=O)C(C)(C)C)c1CO
Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCOc3cc(ccc3C2=O)C(C)(C)C)c1CO
CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(N3CCc4c5CC(C)(C)Cc5sc4C3=O)c2CO)nc1
Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1cccc(N2CCn3c4CCCCc4cc3C2=O)c1CO
Cc1c(cccc1-c1cc(Nc2ccncn2)c(=O)n(C)c1)N1CCc2c3CCCCc3sc2C1=O
Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3c(nc4CCCCn34)C2=O)c1CO
Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3cc(ccc3C2=O)C(C)(C)C)c1CO
Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2Cc3cc(sc3C2=O)C(C)(C)C)c1CO
Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCNc3cc(ccc3C2=O)C(C)(C)C)c1CO
Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cc(Nc2ccncn2)c(=O)n(C)c1
CN(C)C\C=C\C(=O)Nc1cc(ccc1C)-n1c2c(ccc3ccc(cc23)-c2cnn(C)c2)ccc1=O
NC(=O)c1cnc(Nc2ccccc2)cc1NCc1cccc(NC(=O)C=C)c1
Cc1cccc(c1N2c3nc4ccccc4n3-c5c(cnc(n5)Nc6ccc(cc6)N7CCN(CC7)C)C2=O)C
NCCNc1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1
Nc1ncnc2n(nc(-c3ccc(OCc4ccccn4)c(Cl)c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
COc1cc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)[N+]([O-])=O)ccc1NS(=O)(=O)c1ccc(C)cc1
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)[N+]([O-])=O)cc1C
Cc1cc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)[N+]([O-])=O)ccc1NS(=O)(=O)c1ccc(F)cc1
COc1cc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1NS(=O)(=O)c1ccc(F)cc1
Cc1cc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1NS(=O)(=O)c1ccc(F)cc1
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
COc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)[N+]([O-])=O)cc1
COc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2ncc(Cl)c(Oc3cccc(NC(=O)C=C)c3)n2)cc1C
COc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2ncc(Cl)c(Oc3cccc(NC(=O)C=C)c3)n2)cc1
COc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
C[C@H]1CO[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C1CCOCC1 |r|
CC(C)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC(C)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C1CCOCC1 |r|
CC1(COC1)C(=O)N1CCC(CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
COCCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(CCC1)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(CCC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Nc1nccn2c(CN3CCOCC3)nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12
COCCC(=O)N1CCS(=O)(=O)C(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r|
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(N)CC1
CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCNCC1
CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(O)CC1
CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCCC(O)C1
CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1
CC1=C(C(=O)N(N1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC
COc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)-c1c(Cl)c(C2CCCN(C2)C(=O)C=C)n2ncnc(N)c12
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1cn2ccnc2c(Nc2ccccc2)n1
CCNC(=O)Nc1cc(cn(C)c1=O)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1C
Cc1c(cccc1-n1cnc2ccc(F)cc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(O)CO
CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nc(Nc2ccc(cc2)C(=O)N2CCNCC2)c2nccn2n1 |r|
CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nccn2n1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2ncc(N)n2n1
Nc1[nH]nc2cc(nc(-c3ccc(Oc4ccccc4)cc3)c12)-c1ccc(cc1)C(O)=O
CN(C)C(=O)C(=Cc1ccc(o1)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4)C#N
N#C\C=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
N#CC(=Cc1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)C#N |(77.79,-13.81,;79.12,-14.58,;80.45,-15.35,;81.78,-14.58,;83.12,-15.36,;84.45,-14.58,;85.59,-15.61,;84.97,-17.01,;83.44,-16.86,;85.74,-18.34,;85.13,-19.74,;86.27,-20.77,;86.27,-22.32,;87.61,-23.09,;88.94,-22.31,;90.42,-22.78,;91.32,-21.52,;90.4,-20.28,;88.93,-20.76,;87.6,-20,;87.27,-18.5,;88.31,-17.36,;89.82,-17.68,;90.85,-16.53,;90.38,-15.06,;88.86,-14.74,;87.83,-15.89,;80.45,-16.88,;80.45,-18.42,)|
CN1CCN(CC1)C(=O)C(=Cc1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)C#N
CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
CCC(=O)Nc1cc(ccc1C)-n1c2c(ccc1=O)cnc1ccc(cc21)-n1cccn1
Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-n1cccn1
CC(C)(C)c1cccc(c1)NC(=O)c2cccc(c2)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N
CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)\C=C\CN3CCN(CCN)CC3)c3ncnc(N)c23)cc1 |r|
CC(C)(C)c1ccc(CNC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1 |r|
CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C |r|
CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1 |r|
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
COc1cc(ccc1Oc1cccc(Cl)c1)-c1c(Cl)c(C2CCCN(C2)C(=O)C=C)n2ncnc(N)c12
COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
NC(=O)c1cc(cc2c(c[nH]c12)C1CCCNC1)-c1ccccc1
CCCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O
Cn1nc(cc1C(C)(C)O)C1NN(C2CCCN(C2)C(=O)C=C)c2ncnc(N)c12
c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl
Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)c1
CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1 |(9.04,-43.08,;10.39,-42.35,;11.7,-43.16,;10.44,-40.81,;9.13,-40,;9.18,-38.46,;10.53,-37.74,;11.85,-38.53,;11.8,-40.08,;10.57,-36.2,;9.81,-34.87,;8.27,-34.86,;7.51,-33.53,;5.96,-33.52,;5.2,-32.19,;5.97,-30.85,;5.21,-29.52,;5.98,-28.19,;3.67,-29.52,;2.89,-30.86,;1.35,-30.86,;3.66,-32.19,;8.27,-32.2,;9.8,-32.19,;10.58,-33.53,;12.11,-33.53,;12.6,-34.99,;14.14,-34.99,;15.06,-36.23,;14.61,-33.52,;13.35,-32.62,)|
CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1 |(47.36,-51.36,;48.9,-51.37,;49.67,-52.7,;49.68,-50.04,;48.92,-48.7,;49.7,-47.37,;51.23,-47.39,;52.01,-48.71,;51.22,-50.05,;52,-46.06,;51.24,-44.72,;49.7,-44.72,;48.94,-43.38,;47.4,-43.38,;46.63,-42.04,;47.41,-40.71,;46.64,-39.37,;47.41,-38.04,;45.1,-39.37,;44.33,-40.71,;42.79,-40.71,;45.1,-42.04,;49.7,-42.05,;51.24,-42.05,;52.01,-43.39,;53.55,-43.39,;54.32,-44.72,;54.32,-42.06,;55.86,-42.06,;56.62,-43.39,;58.16,-43.4,;58.94,-42.07,;60.48,-42.08,;58.17,-40.73,;56.62,-40.72,)|
CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
COc1ccccc1CNc1ncc(C(=O)NC2CCN(C)CC2)c(NC2CCCC2)n1
c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO
Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl
Nc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(45.45,-6.32,;44.05,-6.96,;42.79,-6.07,;41.4,-6.71,;41.25,-8.25,;42.5,-9.14,;43.9,-8.5,;40.15,-5.82,;40.13,-4.29,;38.67,-3.83,;37.78,-5.08,;38.69,-6.31,;36.25,-5.09,;35.47,-3.76,;35.49,-6.43,;33.95,-6.44,;33.03,-5.19,;31.56,-5.68,;30.22,-4.91,;28.89,-5.69,;28.89,-7.23,;30.22,-8,;31.56,-7.23,;33.04,-7.7,;33.52,-9.16,;34.9,-9.85,;34.2,-11.23,;32.83,-10.54,;35.71,-11.56,;35.86,-13.09,;34.45,-13.71,;33.42,-12.56,;34.12,-15.22,;35.26,-16.25,;32.65,-15.68,;32.32,-17.19,)|
CCc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1 |r,wU:25.26,wD:22.22,(34.44,-4.96,;33.51,-3.74,;31.98,-3.93,;31.04,-2.71,;29.52,-2.9,;28.92,-4.33,;27.47,-4.83,;27.5,-6.37,;26.29,-7.31,;26.32,-8.85,;25,-9.64,;25.03,-11.18,;23.69,-11.97,;22.36,-11.2,;22.37,-9.66,;21.03,-8.89,;19.69,-9.66,;19.69,-11.2,;21.03,-11.97,;26.37,-11.93,;27.69,-11.14,;29.03,-11.88,;30.36,-11.09,;31.7,-11.84,;33.02,-11.06,;33,-9.52,;34.33,-8.73,;31.66,-8.77,;30.34,-9.56,;27.67,-9.6,;28.98,-6.82,;29.86,-5.55,;31.38,-5.35,)|
CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1
CN(C1COC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
[H][C@@]1(CCCN(C1)C(=O)C(=C\C(C)(C)N1CCN(CC1)C1COC1)\C#N)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3occc3n2)cc1
CC#CC(=O)N1CCC[C@H](C1)n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r|
Cc1cc2[nH]ncc2cc1-c1cccc2c(N)c(nnc12)C(N)=O
CC(C)(C)\C=C(\C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CC#N)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:20|
CCn1cc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1
Nc1cc(nc(Nc2cnn(CC(F)F)c2)n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Nc1cc(nc(Nc2ccc(cc2)N2CCOCC2)n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Nc1cc(nc(Nc2cnn(c2)C2(CO)CC2)n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
CC(C)(C)n1cc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1
Cn1cc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N
Cn1ccc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c1
Cn1cc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1
Nc1cc(nc(Nc2ccc(CN3CCOCC3)cc2)n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
CN1CCN(CC1)c1ccc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1
COc1cc(Nc2nccc(n2)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc(OC)c1OC
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1ccnc(Nc2ccc3cc[nH]c3c2)n1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1ccnc(Nc2ccc3cn[nH]c3c2)n1
Nc1cc(nc(Nc2cnn(c2)C2CC2)n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
CC(=O)c1cc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1C
Cn1ccc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)n1
Nc1cc(nc(Nc2cn[nH]c2)n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1ccnc(Nc2ccc3cn[nH]c3c2)n1
COc1ccc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1ccnc(Nc2ccc3[nH]ncc3c2)n1
CC(C)n1cc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1ccnc(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Nc1cc(nc(Nc2cnn(CC3CC3)c2)n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Nc1ncnc2n3CC(NC(=O)C=C)C(=C)c3c(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncnc2n3C[C@@H](NC(=O)C=C)C(=C)c3c(-c3ccc(cc3)C(=O)NCc3ccccn3)c12 |r|
C[C@H](NC(=O)c1ccc(cc1)-c1c2C(=C)[C@@H](Cn2c2ncnc(N)c12)NC(=O)C=C)c1ccccn1 |r|
Nc1ncnc2n3C[C@@H](NC(=O)C=C)C(=C)c3c(-c3ccc(cc3)C(=O)Nc3ccccn3)c12 |r|
Nc1ncnc2n3C[C@@H](NC(=O)C=C)C(=C)c3c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c12 |r|
Nc1ncnc2n3C[C@@H](NC(=O)C=C)C(=C)c3c(-c3ccc(Oc4ccc(F)cc4)cc3)c12 |r|
CC#CC(=O)N[C@@H]1Cn2c(C1=C)c(-c1ccc(Oc3ccccc3)cc1)c1c(N)ncnc21 |r|
CC#CC(=O)NC1Cn2c(C1=C)c(-c1ccc(Oc3ccccc3)cc1)c1c(N)ncnc21
Nc1ncnc2n3CC(NC(=O)CCNC(=O)C=C)C(=C)c3c(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncnc2n3CC(NC(=O)C4(CC4)NC(=O)C=C)C(=C)c3c(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncnc2n3CC(NC(=O)CNC(=O)C=C)C(=C)c3c(-c3ccc(Oc4ccccc4)cc3)c12
CCC(=O)NC1CCc2c(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc3n2C1
Nc1ncnc2n3C[C@@H](NC(=O)C=C)C(=C)c3c(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Nc1ncnc2n3C[C@@H](NC(=O)C=C)C(=C)c3c(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12 |r|
NC1Cn2c(C1=C)c(-c1ccc(Oc3ccccc3)cc1)c1c(N)ncnc21
CC(C)(C)c1ccc(Oc2ccc(cc2)-c2c3C(=C)[C@@H](Cn3c3ncnc(N)c23)NC(=O)C=C)cc1 |r|
CN(C)C\C=C\C(=O)NC1Cn2c(C1=C)c(-c1ccc(Oc3ccccc3)cc1)c1c(N)ncnc21
Nc1ncnc2n3C[C@@H](NC(=O)C=C)C(=C)c3c(-c3ccc(Oc4ccc(cc4)C(F)(F)F)cc3)c12 |r|
CCC(=O)NC1Cn2c(C1=C)c(-c1ccc(Oc3ccccc3)cc1)c1c(N)ncnc21
C[C@H](NC(=O)C=C)C(=O)NC1Cn2c(C1=C)c(-c1ccc(Oc3ccccc3)cc1)c1c(N)ncnc21 |r|
COC[C@H](NC(=O)c1ccc(cc1)-c1c2C(=C)[C@@H](Cn2c2ncnc(N)c12)NC(=O)C=C)c1ccccn1 |r|
Nc1nc2CCC(Cc2s1)n1nc(-c2cc(F)c3[nH]ccc3c2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Br)c(O)c3)c12)C1CCc2ccccc12
CC(C)(C)c1ccc2C(=O)N(Cc2c1)c1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)N2CCOCC2)n1
Cn1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(N)nc(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
CC(C)(C#N)c1cc(F)c2C(=O)N(CCc2c1)c1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)N2CCOCC2)n1
CC(C)c1ccc(cc1)C(=O)Nc1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)N2CCOCC2)n1
Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc(n1)-c1cccc(c1CO)-n1ncc2cc(ccc2c1=O)C1CC1
Nc1nc(Nc2cnn(c2)C2CC2)nc(n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Nc1nc(Nc2cn[nH]c2)nc(n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cncc(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cnnc(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)nc(n1)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1C
COc1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)nc(n1)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1C
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)N2CCOCC2)n1
CC(C)(C)c1cnc(s1)C(=O)Nc1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)N2CCOCC2)n1
CC(C)(C)c1ccc(s1)C(=O)Nc1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)N2CCOCC2)n1
Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc(n1)-c1cccc(NC(=O)c2cc3CCCCc3s2)c1CO
Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc(n1)-c1cccc(N2CCc3cc(ccc3C2=O)C2CC2)c1CO
Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc(n1)-c1cccc(N2CCc3cc(cc(F)c3C2=O)C2CC2)c1CO
CC1(C)Cc2cc3C(=O)N(CCn3c2C1)c1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)N2CCOCC2)n1
CCn1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N
CC(C)n1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N
Nc1nc(Nc2cc(C#N)n(c2)C2CC2)nc(n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(O)nc(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc(n1)-c1cccc(NC(=O)c2ccc(cc2)C2CC2)c1CO
CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)N2CCOCC2)n1
Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc(n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Cn1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N
COCCOCCn1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1ncnc(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
CC(C1CC1)n1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1
Nc1ncnc2n(nc(C#CCNc3ccccc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
CC(C)c1cccc(OCC#Cc2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c1 |r|
Nc1ncnc2n(nc(C#CCOc3ccccc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(\C=C/COc3ccccc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(\C=C\COc3ccccc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(C#CCc3ccccc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Cc1ccccc1OCC#Cc1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
Cc1cccc(OCC#Cc2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c1 |r|
COc1ccccc1OCC#Cc1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
COc1ccc(OCC#Cc2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1 |r|
Nc1ncnc2n(nc(C#CCOc3cccc(Cl)c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
COc1cccc(OCC#Cc2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c1 |r|
Nc1ncnc2n(nc(CCCOc3ccccc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(C#CCCOc3ccccc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Cc1ccc(OCC#Cc2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1 |r|
Nc1ncnc2n(nc(C#CCOc3cccc(c3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(C#CCCc3ccccc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(C#CCSc3ccccc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
COC(=O)C1CCCN1C(=O)COc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
OC(=O)CNC(=O)COc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
COC(=O)C(C)NC(=O)COc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
COC(=O)CNC(=O)COc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
COc1ccc(cn1)-c1ccc2oc3ccc(=O)n(-c4ccc(NC(=O)CN5CCCC5)cc4)c3c2c1
COc1ccc(cn1)-c1ccc2oc3ccc(=O)n(-c4ccc(NC(=O)CN5CCOCC5)cc4)c3c2c1
COc1ccc(cn1)-c1ccc2oc3ccc(=O)n(-c4ccc(NC(=O)CN(C)C)cc4)c3c2c1
COc1ccc(cn1)-c1ccc2oc3ccc(=O)n(-c4ccc(NC(=O)CN5CCCCC5)cc4)c3c2c1
COc1ccc(cn1)-c1ccc2oc3ccc(=O)n(-c4ccc(NC(=O)CN5CCN(C)CC5)cc4)c3c2c1
C=CC(=O)Nc1ccc(cc1)-n1c2c(ccc1=O)oc1ccc(cc21)-c1cccnc1
Cn1cc(cn1)-c1ccc2oc3ccc(=O)n(-c4ccc(NC(=O)C=C)cc4)c3c2c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
CC(C)(O)C1CCc2c(C1)[nH]c1c(ccc(-c3cccc(CNC(=O)C=C)c3)c21)C(N)=O
CN(C)C\C=C\C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
CC(=C)C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
C\C=C\C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
CC(C)(O)C1CCc2c(C1)[nH]c1c(ccc(-c3cccc(c3)C(C)(C)NC(=O)C=C)c21)C(N)=O
CC(C)=CC(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(80.87,-12.15,;79.54,-11.38,;79.54,-9.84,;78.21,-12.14,;76.88,-11.36,;76.87,-9.82,;75.55,-12.14,;74.22,-11.37,;72.88,-12.14,;71.54,-11.37,;71.55,-9.83,;72.87,-9.06,;74.21,-9.82,;75.54,-9.05,;72.87,-7.52,;74.2,-6.75,;74.2,-5.21,;72.86,-4.44,;72.85,-2.9,;74.18,-2.12,;71.51,-2.14,;71.52,-5.23,;70.06,-4.77,;69.18,-6.01,;67.66,-6.18,;67.05,-7.58,;67.96,-8.81,;69.47,-8.64,;70.08,-7.25,;71.53,-6.76,;65.52,-7.74,;64.18,-6.97,;65.52,-6.2,;64.9,-9.16,)|
Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3ccccc3c12
NC(=O)c1ccc(nc1Oc1ccc(Oc2ccccc2)cc1)N1CCN(CC1)C(=O)C=C
NC(=O)c1ccc(nc1Oc1ccc(cc1)C(=O)N1CCOCC1)N1CC[C@@H](C1)NC(=O)C=C |r|
[H][C@]12CN(c3ccc(C(N)=O)c(Oc4ccc(Oc5ccccc5)cc4)n3)[C@]([H])(CN1C(=O)C=C)C2 |r|
NC(=O)c1ccc(nc1Oc1ccc(Oc2ccccc2)cc1)N1CCC[C@H](C1)NC(=O)C=C |r|
NC(=O)c1ccc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CC[C@@H](C1)NC(=O)C=C |r|
[H][C@@]12CN(c3ccc(C(N)=O)c(Oc4ccc(Oc5ccccc5)cc4)n3)[C@@]([H])(CN1C(=O)C=C)C2 |r|
NC(=O)c1ccc(nc1Oc1ccc(Oc2ccccc2)cc1)N1CC2CCC(C1)N2C(=O)C=C
NC(=O)c1ccc(nc1Oc1ccc(Oc2ccccc2)cc1)N1CCCC(CNC(=O)C=C)C1
NC(=O)c1ccc(N[C@H]2CCN(C2)C(=O)C=C)nc1Oc1ccc(Oc2ccccc2)cc1 |r|
C=CC(=O)N[C@H]1CCN(C1)c2ccc(c(n2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N
NC(=O)c1ccc(N[C@@H]2CCN(C2)C(=O)C=C)nc1Oc1ccc(Oc2ccccc2)cc1 |r|
NC(=O)c1ccc(nc1Oc1ccc(Oc2ccccc2)cc1)N1CC2CC(C1)N2C(=O)C=C
Cn1cc(cn1)-c1nn(C2CCN(C2)C(=O)C=C)c2ncnc(N)c12
COCCn1cc(cn1)-c1nn(CC2CCCN(C2)C(=O)C=C)c2ncnc(N)c12
COCCn1cc(cn1)-c1nn(C2CCN(C2)C(=O)C=C)c2ncnc(N)c12
Cn1cc(cn1)-c1nn(C2CCCN(C2)C(=O)C=C)c2ncnc(N)c12
COCCn1cc(cn1)-c1nn(C2CCCN(C2)C(=O)C=C)c2ncnc(N)c12
Cn1cc(cn1)-c1nn(CC2CCCN(C2)C(=O)C=C)c2ncnc(N)c12
Clc1cnc(Nc2ccc(OCC(=O)N3CCOCC3)c(Cl)c2)nc1Nc1cccc(NC(=O)C=C)c1
Clc1cnc(Nc2ccc(OCC(=O)N3CCOCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
Clc1cnc(Nc2ccc(OCCCN3CCOCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
CCN1CCN(CCCOc2ccc(Nc3ncc(Cl)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2Cl)CC1
COc1cc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1OCCCN1CCOCC1
CCN1CCN(CCCOc2ccc(Nc3ncc(Cl)c(Nc4cccc(NC(=O)C=C)c4)n3)c(C)c2)CC1
CN1CCN(CCCOc2ccc(Nc3ncc(Cl)c(Nc4cccc(NC(=O)C=C)c4)n3)c(C)c2)CC1
COc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1OCCCN1CCOCC1
Cc1cc(OCCCN2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2cccc(NC(=O)C=C)c2)n1
COc1cc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1OCC(=O)N1CCOCC1
COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1OCCCN1CCOCC1
Clc1cnc(Nc2ccc(OCCCN3CCOCC3)c(Cl)c2)nc1Nc1cccc(NC(=O)C=C)c1
CCN1CCN(CCCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)c(C)c2)CC1
COc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1OCC(=O)N1CCOCC1
CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12
NC(=O)c1ccc(nc1Nc1ccc(nc1)N1CCOCC1)N1CC[C@@H](C1)NC(=O)C=C |r|
NC(=O)c1ccc(nc1Nc1ccc(cc1)N1CCC(F)(F)CC1)N1CC[C@@H](C1)NC(=O)C=C |r|
CC1CN(CC(C)O1)C(=O)c1ccc(Nc2nc(ccc2C(N)=O)N2CC[C@@H](C2)NC(=O)C=C)cc1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2nc(ccc2C(N)=O)N2CC[C@@H](C2)NC(=O)C=C)cc1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2nc(ccc2C(N)=O)N2CC[C@@H](C2)NC(=O)C=C)cn1 |r|
NC(=O)c1ccc(nc1Nc1ccc(cc1)N1CCCCC1)N1CC[C@@H](C1)NC(=O)C=C |r|
CC(C)(C)NC(=O)c1ccc(cc1)Nc2c(ccc(n2)N3CC[C@@H](C3)NC(=O)C=C)C(=O)N
NC(=O)c1ccc(nc1Nc1ccc(nc1)N1CCCCC1)N1CC[C@@H](C1)NC(=O)C=C |r|
NC(=O)c1cnc(nc1Nc1ccc(F)cc1)N1CC[C@@H](C1)NC(=O)C=C |r|
[H][C@@]12CN(c3ccc(C(N)=O)c(Nc4ccc(C)nc4)n3)[C@@]([H])(CN1C(=O)C=C)C2 |r|
c1cc(ncc1C(=O)N)NC2CCCCC2
NC(=O)c1cnc(nc1N)N1CC[C@@H](C1)NC(=O)C=C |r|
NC(=O)c1ccc(nc1Nc1ccc(Oc2ccccc2)cc1)N1CC[C@@H](C1)NC(=O)C=C |r|
CC1CN(CC(C)O1)C(=O)c1ccc(Nc2nc(ncc2C(N)=O)N2CC[C@@H](C2)NC(=O)C=C)cc1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2nc(N3CC[C@@H](C3)NC(=O)C=C)c(F)cc2C(N)=O)cc1 |r|
CN([C@H]1CCN(C1)c1ccc(C(N)=O)c(Nc2ccc(CCN3CCCC3)cc2)n1)C(=O)C=C |r|
NC(=O)c1ccc(nc1Nc1ccc(CCN2CCCC2)cc1)N1C[C@@H](NC(=O)C=C)C2(CC2)C1 |r|
NC(=O)c1ccc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@@H](C1)NC(=O)C=C |r|
NC(=O)c1ccc(nc1Nc1ccc(CCN2CCCC2)cc1)N1CCN(CC1)C(=O)C=C
NC(=O)c1cnc(nc1N)N1CC[C@H](C1)NC(=O)C=C |r|
N[C@H]1CCN(C1)c1ccc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|
NC(=O)c1cnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CC[C@@H](C1)NC(=O)C=C |r|
NC(=O)c1ccc(nc1NC1CCCCC1)N1CC[C@@H](C1)NC(=O)C=C |r|
NC(=O)c1ccc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CC[C@H](C1)NC(=O)C=C |r|
NC(=O)c1ccc(nc1Nc1ccc(CCN2CCCC2)cc1)N1CC[C@@H](C1)NC(=O)C=C |r|
N#CN[C@H]1CCc2ccc(cc12)-c1ncnc2[nH]ccc12 |r|
OCc1cccc(c1)-c1c[nH]c2ncnc(-c3ccc4CC[C@H](NC#N)c4c3)c12 |r|
Fc1cccc(c1)S(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12 |r|
COCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=C)C=C)c3)n2)cc1
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)\C=C\Cl
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3cccc(c3CO)C4=NN(C(=O)C(=C4)Nc5ccc(cn5)C(=O)N6CCOCC6)C
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1
CN1CCC(CC1)Nc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cc(cs1)C#N
COc1cc2cn[nH]c2cc1-c1ccc(F)c2c(N)c(cnc12)C(N)=O
Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(cnc12)C(N)=O
Cc1cc2cn[nH]c2cc1-c1ccc(F)c2c(N)c(cnc12)C(N)=O
NC(=O)CN1CC[C@@H](C1)n1cc(-c2ccc3OCOc3c2)c2c(N)ncnc12 |r|
Nc1ncnc2n(cc(-c3ccc4OCOc4c3)c12)[C@@H]1CCN(C[C@H]2CO2)C1 |r|
Nc1ncnc2n(cc(-c3ccc4OCOc4c3)c12)[C@H]1CCN(C1)C(=O)C1CC1 |r|
Nc1ncnc2n(cc(-c3ccc4OCOc4c3)c12)[C@H]1CCN(C1)C1COC1 |r|
Nc1ncnc2n(cc(-c3ccc4OCOc4c3)c12)[C@H]1CCN(C[C@@H]2CO2)C1 |r|
Nc1ncnc2n(cc(-c3ccc4OCOc4c3)c12)[C@H]1CCN(C[C@H]2CO2)C1 |r|
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCN(C[C@H]2CO2)C1 |r|
Nc1ncnc2n(C[C@H]3CCCN3C[C@@H]3CO3)cc(-c3ccc4OCOc4c3)c12 |r|
Nc1ncnc2n(C[C@@H]3CCN(C[C@@H]4CO4)C3)cc(-c3ccc4OCOc4c3)c12 |r|
Nc1ncnc2n(cc(-c3ccc4OCOc4c3)c12)[C@H]1CCN(CC2CO2)C1 |r|
CC1(CN2CC[C@@H](C2)n2cc(-c3ccc4OCOc4c3)c3c(N)ncnc23)COC1 |r|
Nc1ncnc2n(C[C@H]3CCCN3C[C@@H]3CO3)cc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCN(C[C@@H]2CO2)C1 |r|
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCN(C)C)C1=O
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc(O[C@H]3CCCN(C3)C(=O)C=C)c12 |r|
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc(Oc3ccccc3)c12
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc(OC3CCCCC3)c12
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc(OC3CCOCC3)c12
CCN1CCN(CC1)c1ccc(Nc2nc(O[C@@H]3CCCN(C3)C(=O)C=C)c3c(c[nH]c3n2)-c2cncc(NC)n2)cc1 |r|
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(O[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
CNc1cc(ccn1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(OC3CCN(CC3)C(=O)C=C)c12
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CCC#C)CC3)nc(OC3CCN(CC3)C(=O)C=C)c12
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc(OC[C@@H]3CCCN3C(=O)C=C)c12 |r|
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc(Oc3cccc(NC(=O)C=C)c3)c12
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc(OC[C@H]3CCCN3C(=O)C=C)c12 |r|
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc(OC3CCN(CC3)C(=O)C=C)c12
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc(O[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(OC3CCN(CC3)C(=O)C=C)c12
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(cc3)N3CCOCC3)nc3[nH]cc(-c4ccncc4)c23)c1
CNc1cccc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(OC3CCN(CC3)C(=O)C=C)c12
CNc1cncc(c1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(OC3CCN(CC3)C(=O)C=C)c12
CC(C)N1Cc2cc(O[C@@H](C)CNC(=O)c3cnn4cc1cnc34)cc(F)c2Cl |r|
CC(C)N1Cc2cc(OCCCNC(=O)c3cnn4ccc1nc34)c(F)cc2F
Fc1cnc(Nc2ccc(NC(=O)CSC(=S)NCc3cccnc3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
Fc1cnc(Nc2ccc(OCCSC(=S)N3CCCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
Fc1cnc(Nc2ccc(OCCSC(=S)N3CCN(Cc4ccccc4)CC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
Fc1cnc(Nc2ccc(OCCSC(=S)NCc3cnccn3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
CC(C)NC(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Fc1cnc(Nc2ccc(OCCSC(=S)NCC=C)cc2)nc1Nc1cccc(NC(=O)C=C)c1
CN(C)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
CCCN(CCC)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
CCCCN(CCCC)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Fc1cnc(Nc2ccc(OCCSC(=S)N3CCOCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
CC1CN(CC(C)O1)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
CN1CCN(CC1)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
CC(=O)N1CCN(CC1)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Fc1cnc(Nc2ccc(OCCSC(=S)N3CCN(CC3)c3ccccc3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
Fc1cccc(CNC(=S)SCCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)c1
COc1cc(CNC(=S)SCCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)cc(OC)c1OC
Fc1cnc(Nc2ccc(OCCSC(=S)NCc3cccnc3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
Fc1cnc(Nc2ccc(OCCSC(=S)NCc3ccccn3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
CN(Cc1cccnc1)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
CN(C)C(=S)SCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
CN(C)C(=S)SCCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Fc1cnc(Nc2ccc(OCCCCSC(=S)NCc3cccnc3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
Fc1cnc(Nc2ccc(NC(=O)CCSC(=S)NCc3cccnc3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
CNC(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
CC(C)N1CCN(CC1)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Fc1cnc(Nc2ccc(OCCSC(=S)NCc3ccccc3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
Fc1cnc(Nc2ccc(OCCSC(=S)NCc3ccncc3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
Fc1cnc(Nc2ccc(OCCSC(=S)NC3CCCCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
Fc1cnc(Nc2ccc(OCCSC(=S)NCc3ccc(cc3)C#N)cc2)nc1Nc1cccc(NC(=O)C=C)c1
CC(C)N1CCN(CC1)C(=S)SCCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
CCNC(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
CCN(CC)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Fc1cnc(Nc2ccc(OCCSC(=S)N3CCCCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
OCCN1CCN(CC1)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
COc1ccc(CNC(=S)SCCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)cc1
Fc1cnc(Nc2ccc(OCCSC(=S)N3CCc4ccccc4C3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
CC(C)N1CCN(CC1)C(=S)SCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCSC(=S)NCc4cccnc4)cc3)ncc2F)c1
Fc1cnc(Nc2ccc(OCCSC(=S)NC3CC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
Fc1cnc(Nc2ccc(OCCCSC(=S)NCc3cccnc3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
CN1CCC(CC1)Nc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc2OCOc2c1
Cc1c(NC(=O)c2ccc(cc2)C2CC2)cc(F)cc1-c1cc(N)ncn1
CN(CC\C=C\c1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2)C2CC2)c1C)C(=O)C=C
CN(C\C=C\c1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2)C2CC2)c1C)C(=O)C=C
Cc1c(NC(=O)c2ccc(cc2)C2CC2)cc(F)cc1-c1ncnc(N)c1OC1CCN(C1)C(=O)C=C
Cc1c(NC(=O)c2ccc(c(F)c2F)C(C)(C)O)cc(F)cc1-c1ncnc(N)c1OC1CN(C1)C(=O)C=C
Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1NCCNC(=O)C=C
Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@H]1CCCN1C(=O)C=C |r|
CN(C)C\C=C\C(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C
CCC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C
Cc1c(NC(=O)c2ccc(cc2)C2CC2)cc(F)cc1-c1ncnc2[nH]cc(C3=CCN(CC3)C(=O)C=C)c12 |t:31|
Cc1c(NC(=O)c2ccc(cc2F)C(C)(C)O)cc(F)cc1-c1ncnc(N)c1OC1CN(C1)C(=O)C=C
Cc1c(NC(=O)c2ccc(cc2)C2CC2)cc(F)cc1-c1ncnc(N)c1OC1CN(C1)C(=O)C=C
CN(C\C=C\c1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1C
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(O)=O)-c2cccc(NC(=O)c3ccccc3F)c2)cc1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1c[nH]c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(N)=O)-c2cccc(NC(=O)c3ccc(cn3)C(F)(F)F)c2)cc1
CCOC(=O)c1sc(nc1Nc1ccc(cc1)N1CCN(C)CC1)-c1cccc(NC(=O)c2ccco2)c1
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(N)=O)-c2cccc(NC(=O)c3ccco3)c2)cc1
C[C@H]1CC[C@@H](CC1)C(=O)Nc1cccc(c1)-c1nc(Nc2ccc(cc2)N2CCN(C)CC2)c(s1)C(N)=O |r,wU:4.7,wD:1.0,(53.81,-34.93,;54.96,-33.91,;56.43,-34.39,;57.58,-33.36,;57.25,-31.86,;55.79,-31.38,;54.65,-32.4,;58.39,-30.83,;58.07,-29.32,;59.86,-31.31,;60.18,-32.81,;59.03,-33.84,;59.36,-35.36,;60.82,-35.82,;61.96,-34.8,;61.64,-33.29,;63.42,-35.27,;63.89,-36.73,;65.43,-36.73,;66.34,-37.98,;67.87,-37.82,;68.76,-39.07,;70.3,-38.91,;70.92,-37.5,;70.01,-36.25,;68.49,-36.41,;72.45,-37.34,;73.35,-38.59,;74.88,-38.43,;75.51,-37.03,;77.04,-36.87,;74.61,-35.78,;73.07,-35.94,;65.91,-35.27,;64.66,-34.36,;67.38,-34.79,;67.71,-33.28,;68.53,-35.82,)|
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(N)=O)-c2cccc(NC(=O)c3ccc(F)c(Cl)c3)c2)cc1
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(O)=O)-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(N)=O)-c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1
CNC(=O)c1sc(nc1Nc1ccc(cc1)N1CCOCC1)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1
CC(C)NC(=O)c1sc(nc1Nc1ccc(cc1)N1CCOCC1)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1
CCOC(=O)c1sc(nc1Nc1ccc(cc1)N1CCN(C)CC1)-c1cccc(NC(=O)c2cccc(F)c2)c1
CCOC(=O)c1sc(nc1Nc1ccc(cc1)N1CCN(C)CC1)-c1cccc(NC(=O)c2ccccc2F)c1
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(N)=O)-c2cccc(NC(=O)c3ccc(cc3)C(F)(F)F)c2)cc1
NC(=O)c1sc(nc1Nc1ccc(cc1)N1CCOCC1)-c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
NC(=O)c1sc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)-c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
NC(=O)c1sc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)-c1cccc(NC(=O)c2ccc(F)cc2)c1
OC(=O)c1sc(nc1Nc1ccc(cc1)N1CCOCC1)-c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc(Nc2ccc(cc2)N2CCOCC2)c(s1)C(O)=O
CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc(Nc2ccc(cc2)N2CCOCC2)c(s1)C(O)=O
CCOC(=O)c1sc(nc1Nc1ccc(cc1)N1CCOCC1)-c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(O)=O)-c2cccc(NC(=O)c3cccc(F)c3)c2)cc1
CCOC(=O)c1sc(nc1Nc1ccc(cc1)N1CCN(C)CC1)-c1cccc(NC(=O)c2ccccc2)c1
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c(s1)C(N)=O
CCOC(=O)c1sc(nc1Nc1ccc(cc1)N1CCOCC1)-c1cccc(NC(=O)c2ccc(cc2)N(C)C)c1
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(N)=O)-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(N)=O)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2)cc1
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc(Nc2ccc(cc2)N2CCOCC2)c(s1)C(N)=O
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(N)=O)-c2cccc(NC(=O)c3csnn3)c2)cc1
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(N)=O)-c2cccc(NC(=O)c3ccccc3F)c2)cc1
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(N)=O)-c2cccc(NC(=O)c3ccccc3)c2)cc1
CCOC(=O)c1sc(nc1Nc1ccc(cc1)N1CCN(C)CC1)-c1cccc(NC(=O)c2ccc(cc2)C#N)c1
NC(=O)c1sc(nc1Nc1ccc(cc1)N1CCOCC1)-c1cccc(NC(=O)c2ccc(F)cc2)c1
OC(=O)c1sc(nc1Nc1ccc(cc1)N1CCOCC1)-c1cccc(NC(=O)c2ccc(F)cc2)c1
Nc1ncnc2n(nc(C#CCOc3ccccc3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
CC#CC(=O)N1CCC[C@H](C1)n1nc(C#CCOc2ccccc2)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(C#CCOc3ccccc3)c12)[C@@H]1CCCN(C1)C(=O)C#C |r|
Nc1ncnc2n(nc(C#CCOc3ccccc3)c12)[C@@H]1CCCN(C1)S(=O)(=O)C=C |r|
CC(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(C#CCOc2ccccc2)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(C#CCOc3ccccc3)c12)[C@@H]1CCCN(C1)C(=O)C(=C\C1CC1)\C#N |r|
Nc1ncnc2n(nc(C#CCOc3ccccc3)c12)[C@@H]1CCCN(C1)C(=O)\C=C\CBr |r|
Nc1ncnc2n(nc(C#CCOc3ccccc3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:20.22,23.29,(17.52,-8.8,;17.53,-10.34,;16.2,-11.11,;16.2,-12.66,;17.53,-13.43,;18.86,-12.66,;20.34,-13.14,;21.25,-11.88,;20.34,-10.63,;20.81,-9.17,;21.28,-7.71,;21.76,-6.24,;23.27,-5.92,;23.74,-4.46,;25.25,-4.15,;25.72,-2.68,;24.69,-1.54,;23.18,-1.86,;22.71,-3.33,;18.86,-11.11,;20.81,-14.6,;19.78,-15.74,;20.25,-17.2,;21.76,-17.53,;22.79,-16.39,;22.32,-14.91,;22.23,-19,;23.73,-19.32,;24.2,-20.79,;24.77,-18.18,;26.27,-18.51,)|
C\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(C#CCOc2ccccc2)c2c(N)ncnc12 |r|
CC(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1
C=CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2ccccc12 |r|
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1C(F)(F)F |(9.74,-40.62,;11.08,-39.85,;12.41,-40.62,;13.75,-39.85,;13.74,-38.3,;12.41,-37.53,;12.4,-35.99,;13.74,-35.22,;15.07,-35.99,;15.07,-37.52,;16.39,-38.29,;17.73,-37.52,;17.73,-35.98,;16.39,-35.2,;19.06,-38.29,;19.06,-39.83,;20.4,-37.52,;21.73,-38.29,;11.08,-38.31,;9.75,-37.54,;8.42,-38.3,;7.09,-37.54,;7.09,-35.99,;5.75,-35.23,;4.42,-36,;3.09,-35.23,;1.76,-36,;1.76,-37.54,;3.1,-38.31,;4.43,-37.53,;8.42,-35.22,;9.75,-35.99,;10.83,-34.89,;12.33,-35.27,;10.42,-33.41,;11.92,-33.79,)|
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc(C)cc2cc(sc12)-c1cn([C@H]2CCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
CS(=O)(=O)Nc1cc(cnc1Cl)-c1ccncc1
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccc(F)cc2F)cc1 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cn2)cc1)[C@@H]1CCCN(C1)C#N |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)[C@@H]1CCCN(C1)C#N |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)[C@@H]1CCCN(C1)C(=O)\C=C\C(F)F |r|
C\C=C\C(=O)N1CCC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccc(F)cc2F)cc1 |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C#N |r|
CC(=C)C(=O)N1CCC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccc(F)cc2F)cc1 |r|
O=C(NCCC#CCCNc1ncnc2[nH]ccc12)Nc1ccccc1
c1cc(cc(c1)NC(=O)Nc2c(cccc2F)N3CCCC3)[C@@H]4CN(CCN4CCO)c5c6cc[nH]c6ncn5
N#C\N=C(/Nc1ccccc1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
O=C(NCCCC1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1
O=C(Nc1ccccc1)Nc1cccc(CCNc2ncnc3[nH]ccc23)c1
O=C(NCCCCCNc1ncnc2[nH]ccc12)Nc1ccccc1
O=C(NCCCCCCNc1ncnc2[nH]ccc12)Nc1ccccc1
O=C(NCCc1cccc(Nc2ncnc3[nH]ccc23)c1)Nc1ccccc1
C1CC(CN(C1)c1ncnc2[nH]ccc12)c1cccc(Nc2nc3ccccc3[nH]2)c1
COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c(=O)n(CCc1ccccc1)c2=O)N1CCC(CC1)N(C)C
Cn1c(=O)n(-c2cccc(NC(=O)C=C)c2)c2nc(Nc3ccccc3)ncc2c1=O
COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c(=O)n(C)c2=O)N1CCOCC1
COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c(=O)n(C)c2=O)N1CCN(CC1)C(C)=O
CCn1c(=O)n(-c2cccc(NC(=O)C=C)c2)c2nc(Nc3ccc(cc3OC)N3CCC(CC3)N(C)C)ncc2c1=O
COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c(=O)n(Cc1ccccc1)c2=O)N1CCC(CC1)N(C)C
COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c(=O)n(CCCc1ccccc1)c2=O)N1CCC(CC1)N(C)C
COc1cc(OCCN(C)C)ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c(=O)n(C(C)C)c2=O
COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c(=O)n(C(C)C)c2=O)N1CCC(CC1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c(=O)n(C)c2=O)N1CCC(CC1)N(C)C
COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c(=O)n(C(C)C)c2=O)N1CCN(C)CC1
COc1ccccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c(=O)n(C)c2=O
COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c(=O)n(C(C)C)c2=O)N1CCC(CC1)N(C)C
COc1cc(Nc2ncc3c(n2)n(-c2cccc(NC(=O)C=C)c2)c(=O)n(C(C)C)c3=O)ccc1N1CCN(C)CC1
COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c(=O)n(C)c2=O)N1CCSCC1
CCCn1c(=O)n(-c2cccc(NC(=O)C=C)c2)c2nc(Nc3ccc(cc3OC)N3CCC(CC3)N(C)C)ncc2c1=O
COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c(=O)n(C(C)C)c2=O)N(C)CCN(C)C
CC(C)n1c(=O)n(-c2cccc(NC(=O)C=C)c2)c2nc(Nc3ccc(N4CCN(C)CC4)c(C)c3)ncc2c1=O
COc1ccccc1\C=C\c1nc2ccccc2c(=O)[nH]1
Oc1cccc(Nc2nc(\C=C\c3cccc(c3)[N+]([O-])=O)nc3ccccc23)c1
COc1ccccc1\C=C\c1nc(Nc2ccc3OCOc3c2)c2ccccc2n1
Oc1cccc(Nc2nc(\C=C\c3cc4OCOc4cc3Br)nc3ccccc23)c1
CCN(CC)CCCC(C)Nc1nc(\C=C\c2cc(OC)c(OC)cc2Cl)nc2cc(Cl)ccc12
CN(C)CC(=O)Nc1ccc(cc1)-n1c2c(ccc1=O)oc1ccc(cc21)-c1cccnc1
CN(C)CC(=O)Nc1ccc(cc1)-n1c2c(ccc1=O)oc1ccc(cc21)-c1ccc(O)cc1
Fc1ccc(cn1)-c1ccc2oc3ccc(=O)n(-c4cccc(NC(=O)C=C)c4)c3c2c1
COc1ccc(cn1)-c1cnc2oc3ccc(=O)n(-c4ccc(NC(=O)CN(C)C)cc4)c3c2c1
COc1ccc(cn1)-c1cnc2oc3ccc(=O)n(-c4ccc(NC(=O)CN5CCCCC5)cc4)c3c2c1
C=CC(=O)Nc1cccc(c1)-n1c2c(ccc1=O)oc1ccc(cc21)-c1cccnc1
COc1ccc(cn1)-c1ccc2oc3ccc(=O)n(-c4cccc(NC(=O)C=C)c4)c3c2c1
Cc1c(cccc1-n1cnc2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccc(F)cn4)c3C)c21)C(N)=O
CC(C)Nc1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccc(F)cc4)c3C)c21)C(N)=O
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(N4Cc5ccccc5C4=O)c3C)c21)C(N)=O
Cc1c(cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)N1CCc2ccccc2C1=O
Cc1c(cccc1-n1ccc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Cc1c(cccc1-n1cnc2ccc(F)cc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Cc1c(cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)N1Cc2ccccc2C1=O
Cc1c(cccc1-n1cnc2cc(F)ccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(CO)ccc3c12
Cc1c(cccc1-n1cnc2cccc(F)c2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Cc1c(cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)N1Cc2ccc(F)cc2C1=O
Cn1cc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCO2)n1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)C=C)cccc2[nH]1
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCC3(CC3)NC(=O)C=C)cccc2[nH]1
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OC3CN(C3)C(=O)C=C)cccc2[nH]1
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OC3CCN(C3)C(=O)C=C)cccc2[nH]1
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)CCl)cccc2[nH]1
C\C=C\C(=O)NCCOc1cccc2[nH]c(cc12)-c1n[nH]c2cc(ccc12)C(F)F
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)\C=C\C(F)(F)F)cccc2[nH]1
CN(C)C\C=C\C(=O)NCCOc1cccc2[nH]c(cc12)-c1n[nH]c2cc(ccc12)C(F)F
CC#CC(=O)NCCOc1cccc2[nH]c(cc12)-c1n[nH]c2cc(ccc12)C(F)F
OC(c1ccccc1)(c1ccccc1)c1cc(OCCNC(=O)C=C)c2cc([nH]c2c1)-c1n[nH]c2cc(ccc12)C(F)F
OC(c1ccccc1)c1cc(OCCNC(=O)C=C)c2cc([nH]c2c1)-c1n[nH]c2cc(ccc12)C(F)F
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)C=C)cc(Cc3ccccc3)cc2[nH]1
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)C=C)cc(cc2[nH]1)C(OC1CCOCC1)c1ccccc1
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)C=C)cc(cc2[nH]1)C(OCCC#C)c1ccccc1
CS(=O)(=O)CCOC(c1ccccc1)c1cc(OCCNC(=O)C=C)c2cc([nH]c2c1)-c1n[nH]c2cc(ccc12)C(F)F
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)C=C)cc(Cc3cccc(Cl)c3)cc2[nH]1
FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)C=C)cc(Cc3cccc(c3)C(F)(F)F)cc2[nH]1
Cc1cccc(Cc2cc(OCCNC(=O)C=C)c3cc([nH]c3c2)-c2n[nH]c3cc(ccc23)C(F)F)c1
COc1ccccc1Cc1cc(OCCNC(=O)C=C)c2cc([nH]c2c1)-c1n[nH]c2cc(ccc12)C(F)F
COc1cccc(Cc2cc(OCCNC(=O)C=C)c3cc([nH]c3c2)-c2n[nH]c3cc(ccc23)C(F)F)c1
COc1ccc(Cc2cc(OCCNC(=O)C=C)c3cc([nH]c3c2)-c2n[nH]c3cc(ccc23)C(F)F)cc1
COc1cccc(OC)c1Cc1cc(OCCNC(=O)C=C)c2cc([nH]c2c1)-c1n[nH]c2cc(ccc12)C(F)F
Cc1cc(C)c(Cc2cc(OCCNC(=O)C=C)c3cc([nH]c3c2)-c2n[nH]c3cc(ccc23)C(F)F)c(C)c1
C=CC(=O)NCCOc1cc(Cc2ccccc2)cc2[nH]c(cc12)-c1n[nH]c2cc(ccc12)-c1cn[nH]c1
FC(F)(F)c1cnc(NNc2ccccc2)nc1Nc1cccc(NC(=O)C=C)c1
OB(O)c1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)cc1
OB(O)c1cccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c1
OB1OCc2cc(Nc3ncc(c(NC4CCCN(C4)C(=O)C=C)n3)C(F)(F)F)ccc12
CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccc4B(O)OCc4c3)ncc2C(F)(F)F)c1
OB1OCc2cc(Nc3ncc(c(Oc4cccc(NC(=O)C=C)c4)n3)C(F)(F)F)ccc12
COc1cnc(Nc2ccc3B(O)OCc3c2)nc1Oc1cccc(NC(=O)C=C)c1
COc1cnc(Nc2ccc3B(O)OCc3c2)nc1Nc1cccc(NC(=O)C=C)c1
OB1OCc2cc(F)c(Nc3ncc(c(Nc4cccc(NC(=O)C=C)c4)n3)C(F)(F)F)cc12
CC1(C)OB(O)c2cc(Nc3ncc(c(Nc4cccc(NC(=O)C=C)c4)n3)C(F)(F)F)ccc12
OB1OCCc2ccc(Nc3ncc(c(Nc4cccc(NC(=O)C=C)c4)n3)C(F)(F)F)cc12
OB1OCc2cc(Nc3ncc(c(Nc4cccc(NC(=O)C=C)c4)n3)C(F)(F)F)ccc12
OB1OCc2c1cccc2Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
OB1OCc2cccc(Nc3ncc(c(Nc4cccc(NC(=O)C=C)c4)n3)C(F)(F)F)c12
OB1OCc2ccc(Oc3ncc(c(Nc4cccc(NC(=O)C=C)c4)n3)C(F)(F)F)cc12
COc1ccc(NC(=O)C=C)cc1Nc1nc(Nc2ccc3COB(O)c3c2)ncc1C(F)(F)F
Cc1cnc(Nc2ccc3COB(O)c3c2)nc1Nc1cccc(NC(=O)C=C)c1
OB1OCc2ccc(Nc3ncc(Cl)c(Nc4cccc(NC(=O)C=C)c4)n3)cc12
OB1OCc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc12
OB1OCc2ccc(Nc3ncc(c(Nc4cccc(NC(=O)C=C)c4)n3)C(F)(F)F)cc12
C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(CN4CCOCC4)cc3)nc3ccsc23)c1
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(CN4CCOCC4)cc3)nc3ccsc23)c1
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(OCCN4CCOCC4)cc3)nc3ccsc23)c1
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(OCCCN4CCOCC4)cc3)nc3ccsc23)c1
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(SCCCN4CCOCC4)cc3)nc3ccsc23)c1
Clc1cnc(Nc2ccc(NC(=O)CN3CCOCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
Cc1[nH]c2c(ccc(N[C@H]3CCN(C3)C(=O)C=C)c2c1C)C(N)=O |r|
Cc1[nH]c2c(ccc(N[C@H]3CCN(C3)C(=O)C#C)c2c1C)C(N)=O |r|
Cn1cc(cc(N)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Cn1cc(cc(NC(=O)C2CC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
CC(=O)Nc1cc(cn(C)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
CCC(=O)Nc1cc(cn(C)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
CCCC(=O)Nc1cc(cn(C)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
CC(C)C(=O)Nc1cc(cn(C)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Cn1cc(cc(NC(=O)C2CCC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Cn1cc(cc(NC(=O)CC2CC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Cn1cc(cc(NC(=O)C2COC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
COCC(=O)Nc1cc(cn(C)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Cn1cc(cc(NC(=O)[C@@H]2CCCO2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO |r|
Cn1cc(cc(NC(=O)C2(F)CC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Cn1cc(cc(NC(=O)[C@@H]2C[C@@H]2F)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO |r|
Cn1cc(cc(NC(=O)[C@H]2C[C@H]2F)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO |r|
Cn1cc(cc(NC(=O)C2CC2)c1=O)-c1ccnc(N2CCc3c(cc4CCCCn34)C2=O)c1CO
Cn1cc(cc(NC(=O)C2CC2)c1=O)-c1ccnc(c1CO)-n1ncc2c3CCCCc3sc2c1=O
Cn1cc(cc(NC(=O)C2CC2)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Cn1cc(cc(NC(=O)[C@H]2C[C@H]2F)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r|
CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=CN(C(=O)C(=C4)NC(=O)[C@@H]5C[C@@H]5F)C)CO
Cn1cc(cc(NC(=O)[C@H]2C[C@@H]2F)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r|
Cn1cc(cc(NC(=O)[C@@H]2C[C@H]2F)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r|
Cn1cc(nc(NC(=O)[C@@H]2C[C@@H]2F)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r|
Cn1nc(cc(NC(=O)[C@@H]2C[C@@H]2F)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r|
Cn1cc(cc(NC(=O)C2(O)CC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Cn1cc(cc(NC(=O)c2cccnc2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Cn1cc(cc(NC(=O)[C@@H]2C[C@@H]2F)c1=O)-c1cc(F)cc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r|
Cn1cc(cc(NC(=O)[C@H]2C[C@H]2F)c1=O)-c1cc(F)cc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r|
CN(Cc1c[nH]c2ncnc(-c3cccc(NC(=O)c4ccc(cc4)C(C)(C)C)c3C)c12)C(=O)C=C
CN(Cc1c[nH]c2ncnc(-c3cccc(NC(=O)c4ccc(cc4)C4CC4)c3C)c12)C(=O)C=C
CN(Cc1c[nH]c2ncnc(-c3cc(F)cc(NC(=O)c4ccc(cc4)C4CC4)c3C)c12)C(=O)C=C
CN(C(=O)Cc1c[nH]c2ncnc(-c3cc(F)cc(NC(=O)c4ccc(cc4)C4CC4)c3C)c12)C(=O)C=C
Cc1c(NC(=O)c2ccc(cc2)C2CC2)cc(F)cc1-c1ncnc2[nH]cc(c12)C1(O)CN(C1)C(=O)C=C
Cc1c(NC(=O)c2ccc(cc2)C2CC2)cc(F)cc1-c1ncnc2[nH]cc(C3CCN(C3)C(=O)C=C)c12
Cc1c(NC(=O)c2ccc(cc2)C2CC2)cc(F)cc1-c1ncnc2[nH]cc(C3CCCN(C3)C(=O)C=C)c12
Cc1c(NC(=O)c2ccc(cc2)C2CC2)cc(F)cc1-c1ncnc2[nH]cc(C3CCN(CC3)C(=O)C=C)c12
Cc1c(NC(=O)c2ccc(cc2)C2CC2)cc(F)cc1-c1ncnc2[nH]cc(C3=CCN(CC3)C(=O)\C=C\CN3CCCC3)c12 |t:31|
C\C=C\C(=O)N1CCC(=CC1)c1c[nH]c2ncnc(-c3cc(F)cc(NC(=O)c4ccc(cc4)C4CC4)c3C)c12 |c:8|
CCC(=O)N(C)Cc1c[nH]c2ncnc(-c3cccc(NC(=O)c4ccc(cc4)C(C)(C)C)c3C)c12
NC(=O)[C@H]1CCN(C[C@@H]1N1CCC[C@@H](Nc2cc(Cl)cc(c2)C(F)(F)F)C1=O)c1ncnc(N)c1F |r|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCN(CCCCCCNC(=O)CNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)n1
Cc1c(cccc1-n1c(=O)cc2ccccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(36.26,-27.65,;34.93,-28.42,;33.61,-27.65,;32.27,-28.43,;32.27,-29.97,;33.6,-30.73,;34.94,-29.96,;36.27,-30.72,;36.28,-32.26,;34.95,-33.04,;37.62,-33.03,;38.95,-32.25,;40.29,-33.02,;41.62,-32.24,;41.61,-30.69,;40.27,-29.94,;38.94,-30.71,;37.61,-29.95,;37.6,-28.41,;33.6,-26.12,;34.94,-25.35,;34.93,-23.8,;33.6,-23.03,;33.6,-21.49,;34.92,-20.72,;32.26,-20.73,;32.26,-23.81,;30.8,-23.34,;29.9,-24.59,;28.37,-24.76,;27.76,-26.16,;28.67,-27.4,;30.19,-27.23,;30.81,-25.83,;32.27,-25.35,;26.23,-26.34,;25.31,-25.1,;25.6,-27.74,;24.73,-26.73,)|
COc1ccn2c(c1)cc(=O)n(-c1cccc(c1C)-c1ccc(C(N)=O)c3[nH]c4cc(ccc4c13)C(C)(C)O)c2=O |(66.87,-34.3,;66.86,-32.77,;65.53,-32.02,;65.52,-30.47,;64.18,-29.71,;62.85,-30.49,;62.86,-32.03,;64.19,-32.8,;61.52,-32.81,;60.19,-32.04,;58.85,-32.82,;60.18,-30.5,;58.84,-29.74,;57.51,-30.51,;56.18,-29.74,;56.18,-28.2,;57.52,-27.43,;58.84,-28.2,;60.17,-27.42,;57.51,-25.89,;58.84,-25.13,;58.84,-23.57,;57.51,-22.81,;57.5,-21.27,;58.83,-20.49,;56.17,-20.5,;56.17,-23.59,;54.7,-23.12,;53.8,-24.36,;52.28,-24.54,;51.66,-25.94,;52.58,-27.18,;54.1,-27.01,;54.71,-25.6,;56.18,-25.13,;50.13,-26.11,;49.22,-24.87,;49.51,-27.52,;48.63,-26.51,;61.51,-29.73,;61.51,-28.19,)|
Cc1c(cccc1-n1c(=O)cc2cc(Cl)ccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(14.13,-49.58,;12.8,-50.36,;11.47,-49.59,;10.14,-50.36,;10.13,-51.9,;11.47,-52.67,;12.8,-51.89,;14.14,-52.65,;14.15,-54.2,;12.81,-54.97,;15.48,-54.96,;16.82,-54.19,;18.15,-54.95,;19.49,-54.17,;20.82,-54.93,;19.47,-52.62,;18.13,-51.87,;16.81,-52.64,;15.47,-51.88,;15.47,-50.34,;11.47,-48.05,;12.8,-47.28,;12.8,-45.73,;11.47,-44.96,;11.46,-43.42,;12.79,-42.65,;10.13,-42.66,;10.13,-45.74,;8.66,-45.28,;7.76,-46.52,;6.24,-46.7,;5.62,-48.09,;6.54,-49.34,;8.06,-49.16,;8.67,-47.76,;10.14,-47.28,;4.09,-48.27,;3.18,-47.03,;3.47,-49.68,;2.59,-48.67,)|
C\C(O)=C(/C#N)C(=O)Nc1cc(Br)ccc1Br
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)-c1ncnc2[nH]ccc12
Cc1cc(ccc1CNC(=O)c1ccc(cc1)C(C)(C)C)-c1ncnc2[nH]ccc12
CCc1cc(ccc1CNC(=O)c1ccc(cc1)C(C)(C)C)-c1ncnc2[nH]ccc12
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1C(F)(F)F)-c1ncnc2[nH]ccc12
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1C(N)=O)-c1ncnc2[nH]ccc12
Cc1cc(ccc1CNC(=O)c1cnc(s1)C(C)(C)C)-c1ncnc2[nH]ccc12
Cc1cc(ccc1CNC(=O)c1cnc(s1)C(C)(C)C)-c1cc(N)ncn1
Cc1cc(ccc1CNC(=O)c1cnc(s1)C(C)(C)C)-c1ccnc(N)n1
Cc1cc(ccc1CNC(=O)c1cnc(s1)C(C)(C)C)-c1ccnc(Nc2ccccc2)n1
Cc1cc(ccc1CNC(=O)c1cnc(s1)C(C)(C)C)-c1ccnc(Nc2ccccn2)n1
Cc1cc(ccc1CNC(=O)c1cnc(s1)C(C)(C)C)-c1ccnc(Nc2ccncc2)n1
Cc1nnc(Nc2nccc(n2)-c2ccc(CNC(=O)c3cnc(s3)C(C)(C)C)c(C)c2)s1
Cc1nocc1Nc1nccc(n1)-c1ccc(CNC(=O)c2cnc(s2)C(C)(C)C)c(C)c1
Cc1cc(ccc1CNC(=O)c1cnc(s1)C(C)(C)C)-c1ccnc(Nc2cn(C)nn2)n1
Cc1cc(ccc1CNC(=O)c1cnc(s1)C(C)(C)C)-c1ccnc(Nc2ccn(C)n2)n1
Cc1cc(ccc1CNC(=O)c1cnc(s1)C(C)(C)C)-c1ccnc(Nc2cnn(C)c2)n1
Cc1cc(ccc1CNC(=O)c1nnc(s1)C(C)(C)C)-c1ccnc(Nc2cnn(C)c2)n1
Cc1cc(ccc1CNC(=O)C1CCC(C1)C(C)(C)C)-c1ccnc(Nc2cnn(C)c2)n1
Cc1cc(ccc1CNC(=O)N1CCC(C1)C(C)(C)C)-c1ccnc(Nc2cnn(C)c2)n1
CC(C)CC1CN(C1)C(=O)NCc1ccc(cc1C)-c1ccnc(Nc2cnn(C)c2)n1
CC(C)OC1CN(C1)C(=O)NCc1ccc(cc1C)-c1ccnc(Nc2cnn(C)c2)n1
O=C(NCc1ccc(cc1)-c1ncnc2[nH]ccc12)c1ccccc1
NC(=O)c1ccc([C@@H]2CCCN(C2)C(=O)C=C)c2cc[nH]c12
CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCN(CC1)C1COC1
CC#CC(=O)N1CCC[C@@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccc2n([C@@H]3CCCN(C3)C(=O)C=C)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
C[C@H]1CC[C@H](CN1C(=O)C1CCCO1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(=O)C1(O)CCC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(=O)C(C)(C)O)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(=O)C(C)(C)CO)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H](O)C(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@@H](O)C(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(=O)c1cnoc1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C[C@H]1CC[C@H](CN1C(C)=O)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1C[C@@H](CC[C@@H]1C(F)(F)F)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(C(=O)Nc3cc(ccn3)C(F)(F)F)c(F)c2F)c2c(N)nccn12 |r|
COc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@@H]2CCCN(C2)C(=O)C2(C)COC2)n2ccnc(N)c12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2OC(F)(F)F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2ncc(s2)C#N)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2nccs2)c2c(N)nccn12 |r|
Cc1cnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4ccnc(N)c34)c(F)c2)cn1 |r|
Cc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4ccnc(N)c34)c(F)c2)n1 |r|
CCc1cc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4ccnc(N)c34)c(F)c2)ncn1 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cccnn2)c2c(N)nccn12 |r|
Cc1cccnc1NC(=O)c1ccc(-c2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n3ccnc(N)c23)c(F)c1 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(OC(F)(F)Cl)ccn2)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)-n2cccn2)c2c(N)nccn12 |r|
CCOc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4ccnc(N)c34)c(F)c2)c1 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r|
Cc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4ccnc(N)c34)c(F)c2)c1 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1ncnc2n(CC3CCN(CC3)S(=O)(=O)C=C)nc(-c3ccc4OCOc4c3)c12
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)nc(-c3ccc4OCOc4c3)c12
Nc1ncnc2n(CC3CCN(CC3)S(=O)(=O)C=C)nc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)nc(-c3ccc(Oc4ccccc4)cc3)c12
CN(C)C\C=C\C(=O)N1CCC(Cn2cc(-c3ccc4OCOc4c3)c3c(N)ncnc23)CC1
Nc1ncnc2n(CC3CCN(CC3)S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12
CN(C)C\C=C\C(=O)N1CCC(Cn2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc23)CC1
Nc1ncnc2n(CC3CCN(CC3)S(=O)(=O)C=C)cc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncnc2n(CCC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Nc1ncnc2n(CCC3CCN(CC3)C(=O)C=C)cc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncnc2n(C[C@H]3CCCN(C3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r|
Nc1ncnc2n(C[C@H]3CCCN(C3)C(=O)C=C)cc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Nc1ncnc2n(C[C@@H]3CCCN(C3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r|
Nc1ncnc2n(C[C@@H]3CCCN(C3)C(=O)C=C)cc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc(OCc4ccccc4)cc3)c12
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc(Oc4ccccc4)cc3)c12
C=CC(=O)Nc1ccc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2c1
CCc1ccnc(NC(=O)c2ccc(Oc3ccnc4ccc(NC(=O)C=C)cc34)cc2)c1
CN(C)C\C=C\C(=O)Nc1ccc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2c1
CC#CC(=O)Nc1ccc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2c1
COCC#CC(=O)Nc1ccc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2c1
OCC#CC(=O)Nc1ccc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2c1
O=C(Nc1ccc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2c1)C#CCN1CCOCC1
O=C(Nc1ccc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2c1)C#CCCN1CCOCC1
CCN1CCN(CC#CC(=O)Nc2ccc3nccc(Oc4ccc(cc4)C(=O)Nc4ccccn4)c3c2)CC1
COc1cc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2cc1NC(=O)C#CC
CC#CC(=O)Nc1cc2c(Oc3ccc(cc3)C(=O)Nc3ccccn3)ccnc2cc1OC1CCOCC1
CC#CC(=O)Nc1cc2c(Oc3ccc(cc3)C(=O)Nc3ccccn3)ccnc2cc1OCCCN1CCN(C)CC1
CC#CC(=O)Nc1cc2c(Oc3ccc(cc3)C(=O)Nc3ccccn3)ccnc2cc1OCCN1CCOCC1
COCC#CC(=O)Nc1cc2c(Oc3ccc(cc3)C(=O)Nc3ccccn3)ccnc2cc1OC
COc1cc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2cc1NC(=O)C#CCCN1CCOCC1
COc1cc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2cc1NC(=O)C#CCN1CCOCC1
C=CC(=O)Nc1ccc2ncnc(Nc3ccc(cc3)C(=O)Nc3ccccn3)c2c1
C=CC(=O)Nc1ccc2ncnc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2c1
[H][C@]12COC(=O)N1C[C@@H](CC2)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
[H][C@]12COC(=O)N1C[C@@H](OC2)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
[H][C@@]12CC[C@H](CN1C(=O)CN(C)C2)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
[H][C@]12CCC(=O)N1C[C@@H](CC2)c1nc(-c2ccc(cc2Oc2ccccc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
[H][C@]12CCC(=O)N1C[C@@H](CC2)c1nc(-c2ccc(cc2C(F)(F)F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
[H][C@]12CCC(=O)N1C[C@@H](CC2)c1nc(-c2ccc(cc2OC(F)(F)F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
C=CC(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]c3ccc(Oc4ccccc4)cc3c(=O)c12 |r|
Nc1ncnc(N[C@@H]2CCCN(C2)C(=O)C=C)c1-n1ncc2cc(Oc3ccccc3)ccc12 |r,wU:7.6,(42.22,-11.56,;42.22,-13.1,;40.9,-13.86,;40.9,-15.41,;42.22,-16.18,;43.57,-15.41,;44.9,-16.18,;44.91,-17.72,;43.57,-18.48,;43.56,-20.01,;44.9,-20.79,;46.23,-20.02,;46.24,-18.47,;47.57,-20.8,;47.57,-22.34,;48.9,-20.02,;50.24,-20.8,;43.56,-13.86,;44.89,-13.08,;46.3,-13.7,;47.33,-12.55,;46.55,-11.22,;47.03,-9.76,;45.99,-8.62,;46.46,-7.16,;47.97,-6.83,;49,-7.97,;50.5,-7.65,;50.97,-6.18,;49.93,-5.03,;48.43,-5.36,;44.48,-8.95,;44.02,-10.41,;45.04,-11.55,)|
C=CC(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]c(=O)c(cc12)-c1ccc(Oc2ccccc2)cc1 |r|
Nc1ncnc2cc3n(nc(-c4ccc(Oc5ccccc5)cc4)c3cc12)C1CCCN(C1)C(=O)C=C
Nc1noc2cc3n(nc(-c4ccc(Oc5ccccc5)cc4)c3cc12)C1CCCN(C1)C(=O)C=C
Nc1noc(=O)c2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Cn1nc(N)c2c(nn([C@@H]3CCCN(C3)C(=O)C=C)c2c1=O)-c1ccc(Oc2ccccc2)cc1 |r|
CCn1nc(N)c2c(nn([C@@H]3CCCN(C3)C(=O)C=C)c2c1=O)-c1ccc(Oc2ccccc2)cc1 |r|
Nc1nn(CC(F)(F)F)c(=O)c2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
Nc1n[nH]c(=O)c2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CN(C1)C(=O)C=C
Nc1n[nH]c(=O)c2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCCN(C1)C(=O)C=C
Nc1n[nH]c(=O)c2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC2(C1)CN(C2)C(=O)C=C
Nc1n[nH]c(=O)c2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:24.27,27.34,(43.01,-9.46,;43.02,-11,;41.69,-11.77,;41.7,-13.31,;43.04,-14.08,;43.05,-15.63,;44.36,-13.3,;45.84,-13.77,;46.73,-12.51,;45.82,-11.26,;46.28,-9.79,;47.78,-9.46,;48.24,-7.99,;47.2,-6.85,;47.66,-5.38,;49.17,-5.05,;50.21,-6.19,;51.71,-5.85,;52.17,-4.38,;51.12,-3.24,;49.62,-3.58,;45.69,-7.19,;45.24,-8.66,;44.35,-11.75,;46.32,-15.22,;45.3,-16.37,;45.78,-17.82,;47.29,-18.13,;48.31,-16.99,;47.83,-15.52,;47.76,-19.59,;49.27,-19.91,;50.29,-18.76,;49.74,-21.36,;51.25,-21.68,)|
Nc1n[nH]c(=O)c2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCC(C1)NC(=O)C=C |r|
CN(CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12)C(=O)C=C
CN(C)C\C=C\C(=O)N(C)CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
Nc1n[nH]c(=O)c2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)S(=O)(=O)C=C |r|
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12 |r|
Nc1n[nH]c(=O)c2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)\C=C\CN1CCOCC1 |r|
Nc1n[nH]c(=O)c2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=C\C1CC1)\C#N |r|
CC#CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12 |r|
C=CC(=O)Nc1cccc(Nc2ncnc(Nc3ccc(cc3)C(=O)N3CCCCC3)n2)c1
Cc1ccc(Nc2ncnc(Nc3ccc(cc3)C(=O)N3CCCCC3)n2)cc1NC(=O)C=C
C\C=C\C(=O)Nc1cccc(Nc2ncnc(Nc3ccc(cc3)C(=O)N3CCCCC3)n2)c1
C=CC(=O)N1CCc2ccc(Nc3ncnc(Nc4ccc(cc4)C(=O)N4CCCCC4)n3)cc12
CC#CC(=O)Nc1cccc(Nc2ncnc(Nc3ccc(cc3)C(=O)N3CCCCC3)n2)c1
C1CN(CCO1)c1ccc(Nc2nc(nc3[nH]ncc23)-c2ccc3cn[nH]c3c2)cc1
C1CN(CCO1)c1ccc(Nc2nc(nc3cc[nH]c23)-c2ccc3cn[nH]c3c2)cc1
C1CN(CCO1)c1ccc(Nc2nc(nc3[nH]cnc23)-c2ccc3cn[nH]c3c2)cc1
C1CN(CCO1)c1ccc(Nc2cc(nc3[nH]cnc23)-c2ccc3cn[nH]c3c2)cc1
C1CN(CCO1)c1ccc(Nc2nc(cc3[nH]cnc23)-c2ccc3cn[nH]c3c2)cc1
C1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
CNC(=O)[C@H]1Cc2c(CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)c1c[nH]c(c1)C(N)=O)[nH]c1ccccc21 |r|
CNC(=O)[C@H]1Cc2c(CN1C(=O)C[C@H]1CCCN(C1)C(=O)C=C)[nH]c1ccccc21 |r|
[H][C@]12C[C@H](N(C(=O)C=C)[C@@]1([H])CCCC2)C(=O)N[C@@H](Cc1ccc(cc1)C#N)C(=O)NC |r|
CNC(=O)[C@H]1Cc2c(CN1C(=O)C[C@@H](Cc1cccc(F)c1)NC(=O)C1CO1)[nH]c1ccccc21 |r|
CNC(=O)[C@@H](Cc1ccc(cc1)C#N)NC(=O)[C@@H](NC(=O)[C@]1(C)CO1)[C@@H](C)OC(C)(C)C |r|
CNC(=O)[C@@H](Cc1ccc(cc1)C#N)NC(=O)[C@@H](NC(=O)[C@@H]1CO1)c1ccccc1 |r|
CC(C)Oc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Fc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.78,4.35,;-3.12,3.58,;-4.45,4.35,;-5.78,3.58,;-7.12,4.35,;-8.45,3.58,;-9.78,4.35,;-11.12,3.58,;-11.12,2.04,;-9.78,1.27,;-8.45,2.04,;-5.78,2.04,;-4.45,1.27,;-3.12,2.04,;-1.78,1.27,;-1.78,-.27,;-3.12,-1.04,;-3.12,-2.58,;-1.78,-3.35,;-.45,-2.58,;1.04,-2.98,;1.88,-1.68,;3.42,-1.68,;4.19,-.35,;4.19,-3.02,;5.73,-3.02,;6.5,-4.35,;8.04,-4.35,;8.81,-3.02,;8.04,-1.68,;6.5,-1.68,;8.81,-.35,;8.04,.98,;10.35,-.35,;11.12,-1.68,;.89,-.27,;.89,1.27,;-.45,2.04,;-.45,3.58,;-.45,-1.04,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NCCNC(=O)C=C)c([nH]c1=O)c23 |(6.38,-11.63,;6.38,-10.09,;5.04,-9.32,;5.05,-7.78,;3.71,-7.01,;3.71,-5.47,;5.05,-4.7,;5.05,-3.16,;3.71,-2.39,;2.38,-3.17,;2.38,-4.71,;6.37,-7.01,;7.71,-7.77,;7.71,-9.32,;9.05,-10.09,;9.05,-11.63,;7.73,-12.39,;7.73,-13.92,;9.06,-14.68,;10.38,-13.91,;12.23,-14.07,;12.86,-12.67,;14.36,-12.35,;15.39,-13.49,;14.84,-10.88,;16.35,-10.57,;16.83,-9.1,;18.33,-8.78,;18.81,-7.32,;17.78,-6.17,;20.32,-7,;20.79,-5.54,;11.71,-11.63,;11.71,-10.09,;10.37,-9.31,;10.37,-7.77,;10.38,-12.4,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@@H](CC(=O)C=C)C4)c([nH]c1=O)c23 |r,wU:28.30,wD:25.26,(55.67,-29.88,;55.67,-28.34,;54.33,-27.57,;54.33,-26.03,;53,-25.26,;53,-23.72,;54.34,-22.95,;54.34,-21.41,;53,-20.64,;51.67,-21.42,;51.67,-22.95,;55.66,-25.25,;57,-26.02,;57,-27.57,;58.33,-28.34,;58.34,-29.88,;57.02,-30.64,;57.01,-32.16,;58.34,-32.93,;59.66,-32.16,;61.52,-32.32,;62.15,-30.91,;63.65,-30.59,;64.68,-31.74,;64.13,-29.13,;65.64,-28.81,;66.26,-27.4,;67.79,-27.56,;68.11,-29.07,;69.52,-29.7,;70.76,-28.79,;70.61,-27.26,;72.17,-29.42,;73.42,-28.52,;66.78,-29.84,;61,-29.88,;61,-28.34,;59.66,-27.56,;59.66,-26.02,;59.67,-30.65,)|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc2[nH]cnc2c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1cc2[nH]cnc2c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2ccccc2)cccc1-c1cc2[nH]cnc2c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2cccc(c2)C(C)(C)C)cccc1-c1cc2[nH]cnc2c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2cccnc2)cccc1-c1cc2[nH]cnc2c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2ccccn2)cccc1-c1cc2[nH]cnc2c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)C2CCCCC2)cccc1-c1cc2[nH]cnc2c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
CC(=O)Nc1cccc(c1C)-c1cc2[nH]cnc2c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2ncc[nH]2)cccc1-c1cc2[nH]cnc2c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2c[nH]cn2)cccc1-c1cc2[nH]cnc2c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Cc1c(NC(=O)c2nc3ccccc3[nH]2)cccc1-c1cc2[nH]cnc2c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
COc1ccc(Cn2cnc3c(Nc4ccc(cc4)C(=O)N4CCOCC4)nc(cc23)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc2n(C)cnc2c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
COc1cc(Nc2nc(NCc3cccc(NC(=O)CCl)c3)n3ccnc3c2C(N)=O)cc(OC)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc2C(CCCc2c1)NC(=O)c1nc(no1)C(C)(C)C
CC(C)n1nc(C)c(c1C)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@@H](CCCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r|
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CN1CCN(CC1)c1ccc(cc1)-c1cc2c(ncnc2s1)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCCN3C(=O)C=C)n(N)c2C(N)=O)c1 |r|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C=C)n(N)c2C(N)=O)c1 |r|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C(C)=C)n(N)c2C(N)=O)c1 |r|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)\C=C\C)n(N)c2C(N)=O)c1 |r|
[#6]-[#6]-c1ccnc(-[#7]-[#6](=O)-c2ccc(cc2)-c2nc(-[#6@@H]-3-[#6]-[#6]-[#6]-[#6]-[#7]-3-[#6](=O)\[#6]=[#6](\[#6])-[#6])n(-[#7])c2-[#6](-[#7])=O)c1 |r|
CC\C=C\C(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(CC)ccn1 |r|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#C)n(N)c2C(N)=O)c1 |r|
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C#N |r|
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1ccccc1 |r|
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cccnc1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
CCOC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
CC(=C)C(=O)N1CCC(CC1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccccc2)cc1
C\C=C\C(=O)N1CCC(CC1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccccc2)cc1
CC(C)=CC(=O)N1CCC(CC1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccccc2)cc1 |(26.73,-39.11,;25.4,-38.34,;24.07,-39.11,;25.4,-36.81,;24.08,-36.04,;22.74,-36.8,;24.08,-34.5,;22.74,-33.72,;22.74,-32.18,;24.08,-31.41,;25.42,-32.17,;25.42,-33.72,;24.08,-29.88,;22.84,-28.97,;23.31,-27.51,;24.85,-27.51,;26.1,-26.6,;26.1,-25.05,;27.43,-24.28,;24.76,-24.28,;27.35,-27.5,;26.87,-28.97,;25.33,-28.97,;28.81,-27.03,;29.95,-28.06,;31.42,-27.59,;31.74,-26.08,;33.21,-25.6,;34.36,-26.64,;34.03,-28.14,;35.17,-29.17,;36.64,-28.7,;36.96,-27.18,;35.82,-26.15,;30.59,-25.05,;29.13,-25.52,)|
CC\C=C\C(=O)N1CCC(CC1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccccc2)cc1
CN(C)C\C=C\C(=O)N1CCC(CC1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccccc2)cc1
CC#CC(=O)N1CCC(CC1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C#C)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C#N)-c1ccc(Oc2ccccc2)cc1
Cn1c(c(C(N)=O)n2ncc(C3CCN(CC3)C(=O)C=C)c12)-c1ccc(Oc2ccccc2)cc1
CC#CC(=O)N1CCC(CC1)c1cnn2c(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)n(C)c12
NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)n(N)c2c(cnn12)C1CCN(CC1)C(=O)C=C
CC#CC(=O)N1CCC(CC1)c1cnn2c(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)n(N)c12
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C=C)-c1ccc(Oc2ccc(F)cc2)cc1
CC#CC(=O)N1CCC(CC1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccc(F)cc2)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C#C)-c1ccc(Oc2ccc(F)cc2)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C=C)-c1ccc(Oc2ccccc2F)cc1
CC#CC(=O)N1CCC(CC1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccccc2F)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C#C)-c1ccc(Oc2ccccc2F)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C=C)-c1ccc(Oc2cccc(F)c2)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C#C)-c1ccc(Oc2cccc(F)c2)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C=C)-c1ccc(Oc2ccc(F)cc2F)cc1
CC#CC(=O)N1CCC(CC1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccc(F)cc2F)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C#C)-c1ccc(Oc2ccc(F)cc2F)cc1
COc1ccc(Oc2ccc(cc2)-c2[nH]c3c(cnn3c2C(N)=O)C2CCN(CC2)C(=O)C=C)cc1
COc1ccc(Oc2ccc(cc2)-c2[nH]c3c(cnn3c2C(N)=O)C2CCN(CC2)C(=O)C#CC)cc1
COc1ccc(Oc2ccc(cc2)-c2[nH]c3c(cnn3c2C(N)=O)C2CCN(CC2)C(=O)C#C)cc1
COc1ccccc1Oc1ccc(cc1)-c1[nH]c2c(cnn2c1C(N)=O)C1CCN(CC1)C(=O)C=C
COc1ccccc1Oc1ccc(cc1)-c1[nH]c2c(cnn2c1C(N)=O)C1CCN(CC1)C(=O)C#CC
COc1ccccc1Oc1ccc(cc1)-c1[nH]c2c(cnn2c1C(N)=O)C1CCN(CC1)C(=O)C#C
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C=C)-c1ccc(Oc2ccc(Br)cc2)cc1
CC#CC(=O)N1CCC(CC1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccc(Br)cc2)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C#C)-c1ccc(Oc2ccc(Br)cc2)cc1
Cc1ccc(Oc2ccc(cc2)-c2[nH]c3c(cnn3c2C(N)=O)C2CCN(CC2)C(=O)C=C)cc1
CC#CC(=O)N1CCC(CC1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccc(C)cc2)cc1
Cc1ccc(Oc2ccc(cc2)-c2[nH]c3c(cnn3c2C(N)=O)C2CCN(CC2)C(=O)C#C)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CCN(C1)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
CC#CC(=O)N1CCC(C1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CCN(C1)C(=O)C#C)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CCN(C1)C(=O)C=C)-c1ccc(Oc2ccc(F)cc2)cc1
CC#CC(=O)N1CCC(C1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccc(F)cc2)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CCN(C1)C(=O)C#C)-c1ccc(Oc2ccc(F)cc2)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CCN(C1)C(=O)C=C)-c1ccc(Oc2ccccc2F)cc1
CC#CC(=O)N1CCC(C1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccccc2F)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CCN(C1)C(=O)C#C)-c1ccc(Oc2ccccc2F)cc1
COc1ccc(Oc2ccc(cc2)-c2[nH]c3c(cnn3c2C(N)=O)C2CCN(C2)C(=O)C=C)cc1
COc1ccc(Oc2ccc(cc2)-c2[nH]c3c(cnn3c2C(N)=O)C2CCN(C2)C(=O)C#CC)cc1
COc1ccc(Oc2ccc(cc2)-c2[nH]c3c(cnn3c2C(N)=O)C2CCN(C2)C(=O)C#C)cc1
COc1ccccc1Oc1ccc(cc1)-c1[nH]c2c(cnn2c1C(N)=O)C1CCN(C1)C(=O)C=C
COc1ccccc1Oc1ccc(cc1)-c1[nH]c2c(cnn2c1C(N)=O)C1CCN(C1)C(=O)C#CC
COc1ccccc1Oc1ccc(cc1)-c1[nH]c2c(cnn2c1C(N)=O)C1CCN(C1)C(=O)C#C
NC(=O)c1c([nH]c2c(cnn12)C1CN(C1)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
CC#CC(=O)N1CC(C1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CN(C1)C(=O)C#C)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CN(C1)C(=O)C=C)-c1ccc(Oc2ccc(F)cc2)cc1
CC#CC(=O)N1CC(C1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccc(F)cc2)cc1
NC(=O)c1c([nH]c2c(cnn12)C1CN(C1)C(=O)C#C)-c1ccc(Oc2ccc(F)cc2)cc1
COc1ccc(Oc2ccc(cc2)-c2[nH]c3c(cnn3c2C(N)=O)C2CN(C2)C(=O)C=C)cc1
COc1ccc(Oc2ccc(cc2)-c2[nH]c3c(cnn3c2C(N)=O)C2CN(C2)C(=O)C#CC)cc1
COc1ccc(Oc2ccc(cc2)-c2[nH]c3c(cnn3c2C(N)=O)C2CN(C2)C(=O)C#C)cc1
NC(=O)c1c([nH]c2c(cnn12)-c1ccc(NC(=O)C=C)cc1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c([nH]c2c(cnn12)-c1ccc(NC(=O)C#C)cc1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c([nH]c2c(cnn12)-c1cccc(NC(=O)C=C)c1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c([nH]c2c3CN(CCc3nn12)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
CN(C)C\C=C\C(=O)N1CCc2nn3c(C(N)=O)c([nH]c3c2C1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c([nH]c2c3CN(CCCc3nn12)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c([nH]c2c3CCN(CCc3nn12)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
c1ccc2c(c1)[nH]c(n2)C3=NNC(=O)N3
Oc1n[nH]c(n1)-c1ccccc1
O=c1[nH]nc([nH]1)-c1ccccn1
O=c1[nH]nc([nH]1)-c1cccnc1
COc1cccc(n1)-c1n[nH]c(=O)[nH]1
COc1ncccc1-c1n[nH]c(=O)[nH]1
CCOc1cccc(n1)-c1n[nH]c(=O)[nH]1
CCOc1ncccc1-c1n[nH]c(=O)[nH]1
CC(C)COc1cccc(n1)-c1n[nH]c(=O)[nH]1
CC(C)Oc1cc(C)cc(n1)-c1n[nH]c(=O)[nH]1
O=c1[nH]nc([nH]1)-c1cc2ccccc2cn1
COc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
COc1nc2ccccc2cc1-c1n[nH]c(=O)[nH]1
CCOc1c2ccccc2cc(n1)C3=NNC(=O)N3
CCNc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
CC(C)Nc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
CC(C)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
CCCOc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
CC(=O)N1CC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|
CN1CC(N(C)C(=O)C1)c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1
CC(C)OC1CN(C1)C(=O)NCc1ccc(cc1Cl)-c1ccnc(Nc2cnn(C)c2)n1
CC(C)OC1CN(C1)C(=O)NCc1ccc(cc1C(F)(F)F)-c1ccnc(Nc2cnn(C)c2)n1
CC(C)OC1CN(C1)C(=O)NCc1cc(F)c(cc1C)-c1ccnc(Nc2cnn(C)c2)n1
CC(C)OC1CN(C1)C(=O)NCc1ccc(c(F)c1C)-c1ccnc(Nc2cnn(C)c2)n1
CC(C)OC1CN(C1)C(=O)NC(C)c1ccc(cc1C)-c1ccnc(Nc2cnn(C)c2)n1
CC(C)OC1CN(C1)C(=O)NC1CCCc2cc(ccc12)-c1ccnc(Nc2cnn(C)c2)n1
CC(C)OC1CN(C1)C(=O)NC1CCCCC2C=C(C=CC12)c1ccnc(Nc2cnn(C)c2)n1 |c:18,20|
CC(C)OC1CN(C1)C(=O)N[C@@H]1CCCCc2cc(ccc12)-c1ccnc(Nc2cnn(C)c2)n1 |r|
CC(C)OC1C(C)N(C1C)C(=O)NC1CCCCc2cc(ccc12)-c1ccnc(Nc2cnn(C)c2)n1
CC(C)CC1(O)CN(C1)C(=O)NC1CCCCc2cc(ccc12)-c1ccnc(Nc2cnn(C)c2)n1
CC(C)C1CCN(C1)C(=O)NC1CCCCc2cc(ccc12)-c1ccnc(Nc2cnn(C)c2)n1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)N2CC[C@H](C2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2cnc(nc2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2cnc(s2)C(C)(C)C)cn1
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2nc(no2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CNCCc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCNCc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
CN1CC[C@@H](NC(=O)c2cn(nn2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
CN1CCc2cc(ccc2[C@@H](C1)NC(=O)c1cn(nn1)C(C)(C)C)-c1ccnc(Nc2cnn(C)c2)n1 |r|
COc1ccc(Nc2ncc3nc(-c4ccccc4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COc1ccc(Nc2ncc3nc(Cc4ccccc4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COc1ccc(Nc2ncc3nc(Oc4ccccc4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COCCOc1ccc(Nc2ncc3nc(C)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COCCOc1ccc(Nc2ncc3nc(-c4ccccc4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COCCOc1ccc(Nc2ncc3nc(-c4ccccc4F)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COCCOc1ccc(Nc2ncc3nc(-c4ccccc4Cl)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COCCOc1ccc(Nc2ncc3nc(C4CCCCC4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COCCOc1ccc(Nc2ncc3nc(C4CCCC4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COCCOc1ccc(Nc2ncc3nc(C4CC4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COCCOc1ccc(Nc2ncc3nc(c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)C(C)(C)C)cc1
COCCOc1ccc(Nc2ncc3nc(C(C)C)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
CCc1nc2cnc(Nc3ccc(OCCOC)cc3)nc2n(-c2cccc(NC(=O)C=C)c2)c1=O
COc1ccc(Nc2ncc3nc(C)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COCCOc1cccc(Nc2ncc3nc(C4CCCCC4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)c1
CN1CCN(CC1)c1cccc(Nc2ncc3nc(C4CCCCC4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)c1
NC(=O)COc1cccc(Nc2ncc3nc(C4CCCCC4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)c1
CC(=O)COc1cccc(Nc2ncc3nc(C4CCCCC4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)c1
CC(=O)c1cccc(Nc2ncc3nc(C4CCCCC4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)c1
CN1CCN(CC1)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
COc1cc(ccc1Nc1ncc2ncc(=O)n([C@H]3CCN(C3)C(=O)C=C)c2n1)N1CCN(C)CC1 |r|
COc1cc(ccc1Nc1ncc2ncc(=O)n([C@@H]3CCN(C3)C(=O)C=C)c2n1)N1CCN(C)CC1 |r|
COc1cc(ccc1Nc1ncc2ncc(=O)n([C@H]3CCCN(C3)C(=O)C=C)c2n1)N1CCN(C)CC1 |r|
COc1cc(ccc1Nc1ncc2ncc(=O)n([C@@H]3CCCN(C3)C(=O)C=C)c2n1)N1CCN(C)CC1 |r|
COc1cc(ccc1Nc1ncc2ncc(=O)n(C3CCN(CC3)C(=O)C=C)c2n1)N1CCN(C)CC1
COc1ccc(Nc2ncc3N=CC(=O)C(c4cccc(NC(=O)C=C)c4)c3n2)cc1 |c:11|
COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
CCC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(OC)cc3)ncc2ncc1=O
COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(N)c4)c3n2)cc1
CN(C)C(=O)c1ccc(Nc2ncc(c(N[C@@H]3CC[C@H](N)CC3)n2)C(F)(F)F)cc1 |r,wU:16.15,19.19,(85.12,-20.14,;83.79,-20.91,;83.79,-22.45,;82.45,-20.15,;82.45,-18.61,;81.12,-20.92,;81.12,-22.46,;79.79,-23.23,;78.46,-22.46,;77.13,-23.24,;75.79,-22.47,;74.46,-23.24,;73.12,-22.47,;73.12,-20.92,;74.45,-20.15,;74.45,-18.61,;75.78,-17.84,;77.11,-18.61,;78.44,-17.84,;78.44,-16.3,;79.78,-15.53,;77.11,-15.53,;75.77,-16.3,;75.79,-20.92,;71.79,-20.15,;71.79,-18.61,;70.46,-20.93,;70.45,-19.38,;78.45,-20.93,;79.78,-20.15,)|
Cn1ccc2cc(Nc3ncc(c(N[C@@H]4CC[C@H](N)CC4)n3)C(F)(F)F)ccc2c1=O |r,wU:14.13,17.17,(14.79,-47.72,;13.46,-48.49,;13.46,-50.03,;12.13,-50.8,;10.79,-50.04,;9.46,-50.81,;8.13,-50.04,;6.8,-50.81,;5.46,-50.05,;4.13,-50.82,;2.79,-50.05,;2.79,-48.5,;4.12,-47.73,;4.12,-46.19,;5.45,-45.42,;6.78,-46.19,;8.11,-45.42,;8.11,-43.88,;9.45,-43.11,;6.78,-43.11,;5.44,-43.88,;5.46,-48.5,;1.46,-47.73,;1.46,-46.19,;.13,-48.5,;.12,-46.96,;8.12,-48.51,;9.45,-47.73,;10.79,-48.5,;12.12,-47.72,;12.12,-46.18,)|
CC(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:6|
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCCCC1 |t:39|
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCN(CC1)C(=O)CN1CCOCC1 |t:39|
CCOC(=O)CNc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
OC(=O)CNc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
CCNC(=O)CNc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12
CCNC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:9.12,6.5,(44.84,-21.24,;43.51,-22.02,;42.18,-21.25,;40.84,-22.02,;40.84,-23.56,;39.51,-21.25,;38.17,-22.02,;38.17,-23.56,;36.84,-24.33,;35.51,-23.56,;35.5,-22.03,;36.83,-21.25,;34.18,-24.34,;34.19,-25.88,;35.52,-26.64,;35.53,-28.19,;34.19,-28.96,;32.85,-28.19,;31.39,-28.67,;30.49,-27.42,;31.39,-26.18,;30.92,-24.71,;31.95,-23.57,;29.41,-24.39,;28.39,-25.53,;26.89,-25.21,;26.4,-23.74,;24.9,-23.42,;24.42,-21.95,;25.45,-20.82,;24.98,-19.35,;23.47,-19.03,;22.44,-20.18,;22.92,-21.64,;27.44,-22.6,;28.94,-22.92,;29.98,-21.78,;32.86,-26.65,)|
Clc1cc(Oc2ccccc2)ccc1C(=O)c1c[nH]c2ncnc(NCC(=O)NCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12
Clc1cc(Oc2ccccc2)ccc1C(=O)c1c[nH]c2ncnc(NCC(=O)NCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12
Clc1cc(Oc2ccccc2)ccc1C(=O)c1c[nH]c2ncnc(NCC(=O)NCCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12
Clc1cc(Oc2ccccc2)ccc1C(=O)c1c[nH]c2ncnc(NCC(=O)NCCOCCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12
Clc1cc(Oc2ccccc2)ccc1C(=O)c1c[nH]c2ncnc(NCC(=O)NCCOCCOCCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12
Clc1cc(Oc2ccccc2)ccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CC3)NC(=O)NCCCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:28.33,25.26,(36.47,-31.23,;35.43,-32.37,;33.93,-32.05,;32.9,-33.19,;31.39,-32.87,;30.91,-31.41,;29.41,-31.1,;28.93,-29.64,;29.96,-28.48,;31.47,-28.8,;31.94,-30.27,;33.38,-34.66,;34.88,-34.98,;35.9,-33.84,;37.41,-34.16,;38.44,-33.02,;37.88,-35.63,;36.98,-36.87,;37.88,-38.12,;39.34,-37.64,;40.68,-38.41,;42.02,-37.64,;42.01,-36.09,;40.68,-35.33,;40.67,-33.79,;42,-33.01,;43.33,-33.78,;44.66,-33.01,;44.66,-31.47,;43.32,-30.7,;41.98,-31.48,;45.99,-30.7,;47.33,-31.47,;47.33,-33.01,;48.66,-30.7,;50,-31.47,;51.33,-30.7,;52.65,-31.46,;53.97,-30.69,;55.29,-31.45,;55.35,-32.99,;54.04,-33.81,;54.11,-35.35,;55.47,-36.07,;56.78,-35.24,;58.27,-35.65,;58.81,-37.09,;59.11,-34.36,;60.64,-34.29,;61.35,-32.92,;62.89,-32.86,;63.72,-34.16,;65.26,-34.09,;63.01,-35.52,;61.47,-35.59,;60.76,-36.95,;58.15,-33.16,;58.56,-31.68,;56.71,-33.7,;39.35,-36.1,)|
Clc1cc(Oc2ccccc2)ccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CC3)NC(=O)NCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:25.26,28.33,(17.97,-38.98,;16.93,-40.12,;15.43,-39.8,;14.4,-40.94,;12.89,-40.62,;12.41,-39.16,;13.44,-38.02,;12.97,-36.56,;11.46,-36.23,;10.43,-37.39,;10.91,-38.85,;14.88,-42.41,;16.38,-42.73,;17.4,-41.59,;18.91,-41.91,;19.94,-40.77,;19.38,-43.38,;18.47,-44.62,;19.38,-45.86,;20.84,-45.39,;22.18,-46.16,;23.51,-45.39,;23.51,-43.84,;22.17,-43.08,;22.17,-41.54,;23.5,-40.76,;24.83,-41.53,;26.16,-40.76,;26.16,-39.22,;24.82,-38.45,;23.48,-39.23,;27.49,-38.45,;28.82,-39.22,;28.83,-40.76,;30.16,-38.45,;31.49,-39.22,;32.82,-38.45,;34.16,-39.22,;35.49,-38.44,;36.81,-39.21,;38.13,-38.44,;39.48,-39.18,;39.51,-40.72,;40.87,-41.46,;40.83,-43,;39.47,-43.73,;39.42,-45.27,;40.74,-46.08,;42.1,-45.34,;43.55,-45.85,;43.99,-47.33,;44.48,-44.63,;46.02,-44.66,;46.82,-43.34,;48.37,-43.38,;49.1,-44.74,;50.63,-44.78,;48.3,-46.05,;46.75,-46.01,;45.95,-47.33,;43.61,-43.36,;44.12,-41.91,;42.14,-43.8,;20.84,-43.85,)|
Clc1cc(Oc2ccccc2)ccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CC3)NC(=O)NCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:25.26,28.33,(10.54,-27.41,;9.51,-28.55,;8,-28.23,;6.97,-29.37,;5.46,-29.05,;4.99,-27.58,;3.48,-27.27,;3,-25.82,;4.03,-24.66,;5.54,-24.98,;6.02,-26.45,;7.45,-30.84,;8.95,-31.16,;9.97,-30.02,;11.48,-30.34,;12.51,-29.2,;11.95,-31.8,;11.05,-33.05,;11.95,-34.29,;13.41,-33.82,;14.75,-34.59,;16.09,-33.82,;16.08,-32.27,;14.75,-31.51,;14.74,-29.97,;16.07,-29.19,;17.4,-29.96,;18.73,-29.19,;18.73,-27.65,;17.39,-26.88,;16.05,-27.66,;20.06,-26.88,;21.4,-27.65,;21.4,-29.19,;22.73,-26.88,;24.06,-27.65,;25.4,-26.87,;26.73,-27.64,;28.07,-26.87,;29.39,-27.63,;30.7,-26.87,;32.02,-27.65,;32,-29.19,;33.33,-29.98,;33.31,-31.52,;34.63,-32.31,;34.73,-33.85,;33.4,-34.63,;32.06,-33.87,;30.73,-34.65,;30.75,-36.2,;32.1,-36.96,;32.44,-38.45,;31.43,-39.61,;33.97,-38.59,;34.76,-39.91,;36.3,-39.88,;37.09,-41.21,;36.33,-42.56,;37.12,-43.88,;34.79,-42.57,;34.01,-41.25,;32.47,-41.27,;34.58,-37.18,;36.08,-36.84,;33.42,-36.17,;13.42,-32.28,)|
Clc1cc(Oc2ccccc2)ccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CC3)NC(=O)NCCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:28.33,25.26,(10.99,-25.86,;9.95,-27,;8.45,-26.67,;7.42,-27.82,;5.91,-27.5,;5.43,-26.03,;6.46,-24.89,;5.99,-23.43,;4.48,-23.11,;3.45,-24.26,;3.93,-25.72,;7.9,-29.29,;9.4,-29.6,;10.42,-28.46,;11.93,-28.78,;12.96,-27.64,;12.4,-30.25,;11.5,-31.49,;12.4,-32.74,;13.86,-32.27,;15.2,-33.04,;16.53,-32.27,;16.53,-30.72,;15.19,-29.95,;15.19,-28.41,;16.52,-27.64,;17.85,-28.41,;19.18,-27.64,;19.18,-26.1,;17.84,-25.33,;16.5,-26.1,;20.51,-25.33,;21.84,-26.09,;21.85,-27.63,;23.18,-25.32,;24.51,-26.09,;25.85,-25.32,;27.18,-26.09,;28.51,-25.32,;29.83,-26.08,;31.15,-25.32,;32.51,-26.05,;32.56,-27.59,;33.91,-28.32,;33.96,-29.86,;35.32,-30.59,;35.36,-32.13,;36.72,-32.86,;36.77,-34.4,;38.13,-35.13,;38.1,-36.67,;36.74,-37.41,;36.71,-38.95,;38.03,-39.75,;39.38,-39,;40.84,-39.5,;41.29,-40.97,;41.76,-38.27,;43.3,-38.3,;44.08,-36.97,;45.63,-37.01,;46.37,-38.36,;47.91,-38.39,;45.57,-39.68,;44.04,-39.65,;43.24,-40.96,;40.88,-37.02,;41.38,-35.56,;39.41,-37.47,;13.86,-30.73,)|
Clc1cc(Oc2ccccc2)ccc1C(=O)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CC3)NC(=O)NCCOCCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:28.33,25.26,(11.24,-25.74,;10.2,-26.88,;8.7,-26.56,;7.66,-27.7,;6.16,-27.38,;5.67,-25.91,;6.71,-24.78,;6.24,-23.31,;4.72,-22.99,;3.69,-24.14,;4.17,-25.6,;8.14,-29.17,;9.65,-29.49,;10.67,-28.34,;12.17,-28.67,;13.21,-27.52,;12.65,-30.13,;11.74,-31.38,;12.64,-32.62,;14.11,-32.15,;15.44,-32.92,;16.78,-32.15,;16.77,-30.6,;15.44,-29.83,;15.43,-28.29,;16.76,-27.52,;18.1,-28.29,;19.42,-27.52,;19.42,-25.98,;18.09,-25.21,;16.75,-25.98,;20.76,-25.21,;22.09,-25.98,;22.09,-27.52,;23.42,-25.21,;24.76,-25.98,;26.09,-25.2,;27.42,-25.97,;28.76,-25.2,;30.08,-25.96,;31.39,-25.2,;32.72,-25.98,;32.71,-27.52,;34.04,-28.31,;34.02,-29.85,;35.35,-30.63,;35.34,-32.17,;36.66,-32.95,;36.65,-34.49,;37.98,-35.27,;37.96,-36.81,;39.29,-37.59,;39.39,-39.13,;38.07,-39.92,;36.72,-39.16,;35.4,-39.95,;35.42,-41.5,;36.78,-42.25,;37.12,-43.75,;36.11,-44.91,;38.65,-43.88,;39.45,-45.19,;40.98,-45.16,;41.78,-46.49,;41.03,-47.83,;41.81,-49.16,;39.48,-47.85,;38.7,-46.54,;37.16,-46.56,;39.25,-42.46,;40.75,-42.12,;38.09,-41.46,;14.11,-30.61,)|
C[C@H]1CCN(C[C@@H]1NC(=O)[C@H](Nc1cc(F)cc(Cl)c1)C1CC1)c1ncnc2[nH]ncc12 |r|
Fc1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@H]2CN(CC[C@@H]2C(F)(F)F)c2ncnc3[nH]ncc23)c1 |r|
Fc1ccc(Cl)cc1NCC(=O)NC1CCCN(C1)c1ncnc2[nH]ccc12
Clc1cc(Cl)cc(NCC(=O)NC2CCCN(C2)c2ncnc3[nH]ccc23)c1
FC(F)(F)c1cc(Cl)cc(NCC(=O)NC2CCCN(C2)c2ncnc3[nH]ccc23)c1
Clc1cc(Cl)cc(NCC(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ccc23)c1 |r|
C1CC(CN(C1)c1ncnc2[nH]ccc12)c1cccc(Nc2ccccc2)c1
O=C(CNc1ccccc1)NC1CCCN(C1)c1ncnc2[nH]ccc12
FC(F)(F)c1ccccc1NCC(=O)NC1CCCN(C1)c1ncnc2[nH]ccc12
FC(F)(F)c1cccc(NCC(=O)NC2CCCN(C2)c2ncnc3[nH]ccc23)c1
FC(F)(F)c1ccc(NCC(=O)NC2CCCN(C2)c2ncnc3[nH]ccc23)cc1
CC(C)c1cccc(NCC(=O)NC2CCCN(C2)c2ncnc3[nH]ccc23)c1
O=C(CNc1cccc(c1)C#N)NC1CCCN(C1)c1ncnc2[nH]ccc12
FC(F)(F)S(=O)(=O)c1cccc(NCC(=O)NC2CCCN(C2)c2ncnc3[nH]ccc23)c1
FC(F)(F)Oc1cccc(NCC(=O)NC2CCCN(C2)c2ncnc3[nH]ccc23)c1
Fc1cccc(NCC(=O)NC2CCCN(C2)c2ncnc3[nH]ccc23)c1
c1cc(cc(c1)Cl)NCC(=O)N[C@@H]2CCCN(C2)c3c4cc[nH]c4ncn3
Fc1c(Cl)cccc1NCC(=O)NC1CCCN(C1)c1ncnc2[nH]ccc12
Fc1ccc(NCC(=O)NC2CCCN(C2)c2ncnc3[nH]ccc23)cc1Cl
Fc1cc(Cl)cc(NCC(=O)NC2CCCN(C2)c2ncnc3[nH]ccc23)c1
CN([C@@H]1CCCN(C1)c1ncnc2[nH]ncc12)C(=O)[C@H](Nc1cc(F)cc(Cl)c1)C1CC1 |r|
Clc1cc(Cl)cc(NCC(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ncc23)c1 |r|
Clc1cc(Cl)cc(NCC(=O)N[C@@H]2CCCN(C2)c2ncnc3NC(=O)Cc23)c1 |r|
Nc1cc(ncn1)N1CCC[C@H](C1)NC(=O)CNc1cc(Cl)cc(Cl)c1 |r|
Nc1nccc(n1)N1CCC[C@H](C1)NC(=O)CNc1cc(Cl)cc(Cl)c1 |r|
Nc1ncnc(n1)N1CCC[C@H](C1)NC(=O)CNc1cc(Cl)cc(Cl)c1 |r|
Clc1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ncc23)c1 |r|
C[C@@H](Nc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CCCN(C1)c1ncnc2[nH]ccc12 |r|
C[C@H](Nc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CCCN(C1)c1ncnc2[nH]ccc12 |r|
CC(C)(Nc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CCCN(C1)c1ncnc2[nH]ccc12 |r|
CC[C@@H](Nc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CCCN(C1)c1ncnc2[nH]ccc12 |r|
Clc1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ccc23)c1 |r|
CC(C)[C@@H](Nc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CCCN(C1)c1ncnc2[nH]ccc12 |r|
CC(C)(O)[C@@H](Nc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CCCN(C1)c1ncnc2[nH]ccc12 |r|
Clc1cc(Cl)cc(N[C@H](C2COC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ccc23)c1 |r|
Fc1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ncc23)c1 |r|
FC(F)(F)c1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ncc23)c1 |r|
c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)NC(=O)[C@@H](C4CC4)Nc5cc(cc(c5)Cl)F
FC(F)(F)c1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ccc23)c1 |r|
[H][C@]12CCN(C(=O)[C@H](Nc3cc(F)cc(Cl)c3)C3CC3)[C@@]1([H])CN(CC2)c1ncnc2[nH]ncc12 |r|
Fc1cc(Cl)cc(N[C@@H]2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ncc34)C2=O)c1 |r|
Clc1cc(Cl)cc(N[C@@H]2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ncc34)C2=O)c1 |r|
Fc1cc(N[C@@H]2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ncc34)C2=O)cc(Cl)c1F |r|
Fc1c(Cl)cc(N[C@@H]2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ncc34)C2=O)cc1Cl |r|
CC(C)Nc1ccc2nnc(-c3cc(cnc3N)-c3cnn(c3)C3CCN(CCO)CC3)n2n1
Cn1cc(cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
CN1CCN(CC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
CN(C)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
CC(C)(N)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
CC1(COC1)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
CC(C)(CO)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
CC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3F)c12)[C@@H]1CCCN(C1)C(=O)C(=C\C1CC1)\C#N |r|
[H][C@](C)(Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)NC(=O)C(=C\C(C)C)\C#N |r|
CC(C)\C=C(/C#N)C(=O)N[C@H](C)Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
CC(C)\C=C(/C#N)C(=O)N1CCC1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
CC(C)\C=C(/C#N)C(=O)N1CC(Cn2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc23)C1
CC(C)\C=C(/C#N)C(=O)N1CCC[C@@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
CC(C)\C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
CC(C)\C=C(\C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
C[C@H]1CN(C[C@@H](C)N1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
CC(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCOCC1 |r|
Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=C/C3CC3)\C#N)nc(-c3ccc(Oc4ccccc4)cc3F)c12 |r|
CC(C)(C)\C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
CC(C)(N)\C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
CC(C)(\C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCOCC1 |r|
CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCNCC1 |r|
CN1CCN(CC1=O)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCNC(=O)C1
COC(=O)N1CCN(CC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
CC(=O)N1CCN(CC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
C[C@H]1CN(C[C@@H](C)N1C)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
COCCN1CCN(CC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)NCCc4ccccc4)c23)CC1
C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)NCc4ccccc4)c23)CC1
C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)Nc4ccccc4)c23)CC1
C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)NCCOc4ccccc4)c23)CC1
C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)N4CCC(CC4)Oc4ccccc4)c23)CC1
C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)N4CC(C4)Oc4ccccc4)c23)CC1
CC#CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)N4CC(C4)Oc4ccccc4)c23)CC1
C=CC(=O)N1CCC(CC1)Nc1ncnc2[nH]cc(C(=O)N3CC(C3)Oc3ccccc3)c12
CC#CC(=O)N1CCC(CC1)Nc1ncnc2[nH]cc(C(=O)N3CC(C3)Oc3ccccc3)c12
C=CC(=O)N1CCCC(C1)Nc1ncnc2[nH]cc(C(=O)N3CC(C3)Oc3ccccc3)c12
CC#CC(=O)N1CCCC(C1)Nc1ncnc2[nH]cc(C(=O)N3CC(C3)Oc3ccccc3)c12
C=CC(=O)N1CCC(C1)Nc1ncnc2[nH]cc(C(=O)N3CC(C3)Oc3ccccc3)c12
CC#CC(=O)N1CCC(C1)Nc1ncnc2[nH]cc(C(=O)N3CC(C3)Oc3ccccc3)c12
C=CC(=O)NC1CCCN(C1)c1ncnc2[nH]cc(C(=O)N3CC(C3)Oc3ccccc3)c12
CC#CC(=O)NC1CCCN(C1)c1ncnc2[nH]cc(C(=O)N3CC(C3)Oc3ccccc3)c12
OC1(CNc2ncnc3[nH]cc(C(=O)N4CC(C4)Oc4ccccc4)c23)CCN(CC1)C(=O)C=C
C=CC(=O)NCCNc1ncnc2[nH]cc(C(=O)N3CC(C3)Oc3ccccc3)c12
Fc1ccc(OC2CN(C2)C(=O)c2c[nH]c3ncnc(NCC4CCN(CC4)C(=O)C=C)c23)cc1
Fc1cccc(OC2CN(C2)C(=O)c2c[nH]c3ncnc(NCC4CCN(CC4)C(=O)C=C)c23)c1
Cc1cccc(OC2CN(C2)C(=O)c2c[nH]c3ncnc(NCC4CCN(CC4)C(=O)C=C)c23)c1
Clc1cccc(OC2CN(C2)C(=O)c2c[nH]c3ncnc(NCC4CCN(CC4)C(=O)C=C)c23)c1
FC(F)(F)c1cccc(OC2CN(C2)C(=O)c2c[nH]c3ncnc(NCC4CCN(CC4)C(=O)C=C)c23)c1
C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)N4CC(C4)Oc4cccc5ccccc45)c23)CC1
C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)N4CC(C4)Oc4ccc5ccccc5c4)c23)CC1
C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)N4CC(C4)Oc4ccccn4)c23)CC1
C=CC(=O)N1CCC(CNc2ncnc3[nH]cc(C(=O)N4CC(C4)OCc4ccccc4)c23)CC1
CC(C)OC1CN(C1)C(=O)c1c[nH]c2ncnc(NCC3CCN(CC3)C(=O)C=C)c12
Cc1cc(ccc1CNC(=O)c1ccc(cc1)C(C)(C)C)-c1ncnc2[nH]cc(C3=CCN(CC3)C(=O)C=C)c12 |t:31|
CC#CC(=O)N1CCC(=CC1)c1c[nH]c2ncnc(-c3ccc(CNC(=O)c4ccc(cc4)C(C)(C)C)c(C)c3)c12 |c:8|
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1F)-c1ncnc2[nH]cc(C3=CCN(CC3)C(=O)C=C)c12 |t:31|
CC#CC(=O)N1CCC(=CC1)c1c[nH]c2ncnc(-c3ccc(CNC(=O)c4ccc(cc4)C(C)(C)C)c(F)c3)c12 |c:8|
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)-c1ncnc2[nH]cc(C3=CCN(CC3)C(=O)C=C)c12 |t:30|
CC#CC(=O)N1CCC(=CC1)c1c[nH]c2ncnc(-c3ccc(CNC(=O)c4ccc(cc4)C(C)(C)C)cc3)c12 |c:8|
Cc1cc(ccc1CNC(=O)c1ccc(cc1)C(C)(C)C)-c1ncnc2[nH]cc(C3CCN(CC3)C(=O)C=C)c12
CC#CC(=O)N1CCC(CC1)c1c[nH]c2ncnc(-c3ccc(CNC(=O)c4ccc(cc4)C(C)(C)C)c(C)c3)c12
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1F)-c1ncnc2[nH]cc(C3CCN(CC3)C(=O)C=C)c12
CC#CC(=O)N1CCC(CC1)c1c[nH]c2ncnc(-c3ccc(CNC(=O)c4ccc(cc4)C(C)(C)C)c(F)c3)c12
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)-c1ncnc2[nH]cc(C3CCN(CC3)C(=O)C=C)c12
CC#CC(=O)N1CCC(CC1)c1c[nH]c2ncnc(-c3ccc(CNC(=O)c4ccc(cc4)C(C)(C)C)cc3)c12
Fc1cc(ccc1CNC(=O)c1ccc(cc1)C1CC1)-c1ncnc2[nH]cc(C3=CCN(CC3)C(=O)C=C)c12 |t:31|
CC#CC(=O)N1CCC(=CC1)c1c[nH]c2ncnc(-c3ccc(CNC(=O)c4ccc(cc4)C4CC4)c(F)c3)c12 |c:8|
Fc1cc(ccc1CNC(=O)c1ccccc1)-c1ncnc2[nH]cc(C3=CCN(CC3)C(=O)C=C)c12 |t:27|
CC#CC(=O)N1CCC(=CC1)c1c[nH]c2ncnc(-c3ccc(CNC(=O)c4ccccc4)c(F)c3)c12 |c:8|
Fc1cc(ccc1CNC(=O)Nc1ccccc1)-c1ncnc2[nH]cc(C3=CCN(CC3)C(=O)C=C)c12 |t:28|
CC#CC(=O)N1CCC(=CC1)c1c[nH]c2ncnc(-c3ccc(CNC(=O)Nc4ccccc4)c(F)c3)c12 |c:8|
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@H]1CCCN1C |r|
COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)[C@H]4CCN(C4)C(=O)C=C)N
COCC1CN(C1)C1CCN(CC1)c1cc(OC)c(Nc2ncc(Br)c(Nc3ccc4OCCOc4c3P(C)(C)=O)n2)cc1C
Nc1ncnc2n(C3CCN(C3)C(=O)C=C)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12
CCC(=O)N1CCC(C1)n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O
CC#CC(=O)N1CCCC1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
COCCN1CCn2nc(Nc3cc(cn(C)c3=O)-c3ccnc(N4CCn5c6CC(C)(C)Cc6cc5C4=O)c3CO)cc2C1
CN1CCn2nc(Nc3cc(nn4ccnc34)-c3ccnc(N4CCn5c6CCCCc6cc5C4=O)c3CO)cc2C1
CCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Cc3ccccc3)cc2)c2c(N)ncnc12 |r|
Cc1cc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nn1C
Cc1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nc1
CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=CN(C(=O)C(=C4)Nc5ccncn5)C)CO
OC[C@H]1CCC[C@H](Nc2ncnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)O1 |r|
[H][C@]12CCC(=O)N1C[C@H](CC2)c1nc(-c2ccc(cc2OCCO)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Cc1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1-c1cccc(c1O)-n1c(=O)[nH]c2c(F)cccc2c1=O)C(C)(C)O |(3.12,1.54,;1.79,2.31,;1.79,3.85,;.47,4.61,;.47,6.15,;1.8,6.92,;-.87,6.92,;-.86,3.85,;-2.33,4.32,;-3.23,3.08,;-4.77,2.91,;-5.39,1.5,;-4.49,.27,;-2.95,.43,;-2.33,1.83,;-.86,2.31,;.47,1.55,;.47,.01,;-.87,-.77,;-.86,-2.31,;.47,-3.07,;1.8,-2.3,;1.8,-.76,;3.14,.01,;3.13,-3.07,;3.13,-4.61,;1.8,-5.38,;4.47,-5.38,;5.8,-4.61,;7.14,-5.38,;7.14,-6.92,;8.47,-4.6,;8.47,-3.07,;7.13,-2.3,;5.8,-3.07,;4.47,-2.3,;4.47,-.76,;-6.93,1.5,;-7.7,.17,;-7.7,2.84,;-8.47,1.5,)|
[H][C@]12CCC(=O)N1C[C@H](CC2)c1nc(-c2ccc(cc2OCc2ccccc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC#CC(=O)N1CCC[C@H]1n1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)ncnc12 |r|
NC(=O)C1C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1c1ccc(Oc2ccccc2)cc1 |r,c:22|
COc1ccc(F)cc1C(=O)NCc1ccc(cc1)-c1nn([C@@H](C)C(F)(F)F)c(N)c1C(N)=O |r|
CN1CN(Cc2cnc(Nc3cc(C)nn3C)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
CC(C)Cc1nc2cc3n(CCCN4CCCCC4)c(NC(=O)c4ccc(cc4)-c4ccncc4)nc3cc2[nH]c1=O
C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)c3cccs3)cc12
CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|
CNc1nc(Nc2cc[nH]n2)nc(n1)N1CC2CC1CN2C(=O)C=C
CNc1nc(NCc2cccc(NC(=O)C=C)c2)nc(Nc2cc([nH]n2)C(C)(C)C)n1
CNc1nc(NCc2cccc(NC(=O)CCl)c2)nc(Nc2cc([nH]n2)C(C)(C)C)n1
CNc1nc(NCC(NC(=O)CCl)c2ccccc2)nc(Nc2cc([nH]n2)C(C)(C)C)n1
CCN1CCN(Cc2ccc(cc2C)-c2ccnc(Nc3cnn(C)c3)n2)C(=O)C1
Cc1cc(ccc1CN1CCN(CC(F)(F)F)CC1=O)-c1ccnc(Nc2cnn(C)c2)n1
Cc1cc(ccc1CN1CCN(CC1=O)C(C)(C)C)-c1ccnc(Nc2cnn(C)c2)n1
Cc1cc(ccc1CN1CCN(CC1=O)C1CCC1)-c1ccnc(Nc2cnn(C)c2)n1
Cc1cc(ccc1CN1CCN(CC2CCC2)CC1=O)-c1ccnc(Nc2cnn(C)c2)n1
Cc1cc(ccc1CN1CCN(CC2CNC2)CC1=O)-c1ccnc(Nc2cnn(C)c2)n1
CN1CC(CN2CCN(Cc3ccc(cc3C)-c3ccnc(Nc4cnn(C)c4)n3)C(=O)C2)C1
Cc1cc(ccc1CN1CCN(CC2CN(O)C2)CC1=O)-c1ccnc(Nc2cnn(C)c2)n1
Cc1cc(ccc1CN1CCN(CC2CC(F)(F)C2)CC1=O)-c1ccnc(Nc2cnn(C)c2)n1
Cc1cc(ccc1CN1CCN(CC2CCOC2)CC1=O)-c1ccnc(Nc2cnn(C)c2)n1
CC(C)CN1CCN(Cc2ccc(cc2C)-c2ccnc(Nc3cnn(C)c3)n2)C(=O)C1
Cc1cc(ccc1CN1CCN(CC(C)(C)C)CC1=O)-c1ccnc(Nc2cnn(C)c2)n1
Cc1cc(ccc1CN1CCN(CC2(C)CC2)CC1=O)-c1ccnc(Nc2cnn(C)c2)n1
Cc1cc(ccc1CN1CCN(CC(C)(C)C#N)CC1=O)-c1ccnc(Nc2cnn(C)c2)n1
CC(C)CN1CCN(Cc2ccc(cc2C)-c2ccnc(Nc3cnn(c3)C3CN(C)C3)n2)C(=O)C1
CC(C)CN1CCN(Cc2ccc(cc2C)-c2ccnc(Nc3cnn(CCO)c3)n2)C(=O)C1
CC(C)CN1CCN(Cc2ccc(cc2Cl)-c2ccnc(Nc3cnn(CCO)c3)n2)C(=O)C1
CC(C)CN1CCN(Cc2ccc(cc2C(F)(F)F)-c2ccnc(Nc3cnn(CCO)c3)n2)C(=O)C1
CC(C)(C)CN1CCN(Cc2ccc(cc2C(F)(F)F)-c2ccnc(Nc3cnn(CCO)c3)n2)C(=O)C1
Cc1cc(ccc1CN1CCN(CC(C)(C)C)CC1=O)-c1ccnc(Nc2cnn(CCO)c2)n1
CN1CC(C1)n1cc(Nc2nccc(n2)-c2ccc(CN3CCN(CC(C)(C)C)CC3=O)c(C)c2)cn1
CN(CCOc1cncnc1-c1ccc(CN2CCN(CC(C)(C)C)CC2=O)c(C)c1)C(C)=O
CN(CCOc1cncnc1-c1ccc(CN2CCN(CC(C)(C)C)CC2=O)c(C)c1)C(=O)C=C
CN(CCOc1cnccc1-c1ccc(CN2CCN(CC(C)(C)C)CC2=O)c(C)c1)C(=O)C=C
CC(C)CN1CCN(Cc2ccc(cc2C)-c2ccncc2OCCN(C)C(=O)C=C)C(=O)C1
CN(CCOc1cnccc1-c1ccc(CN2CCN(CC3CCC3)CC2=O)c(C)c1)C(=O)C=C
CCCN1CCN(Cc2ccc(cc2C)-c2ccncc2OCCN(C)C(=O)C=C)C(=O)C1
CC(C)N1CCN(Cc2ccc(cc2C)-c2ccncc2OCCN(C)C(=O)C=C)C(=O)C1
CCN1CCN(Cc2ccc(cc2C)-c2ccncc2OCCN(C)C(=O)C=C)C(=O)C1
CN(CCOc1cnccc1-c1ccc(CN2CCN(C)CC2=O)c(C)c1)C(=O)C=C
CN(CCOc1cncnc1-c1ccc(CN2CCN(CC3(C)CC3)CC2=O)c(C)c1)C(=O)C=C
CC(C)CN1CCN(Cc2ccc(cc2C)-c2ncncc2OCCN(C)C(=O)C=C)C(=O)C1
CN(CCOc1cncnc1-c1ccc(CN2CCN(CC3CCC3)CC2=O)c(C)c1)C(=O)C=C
CN(CCOc1cncnc1-c1ccc(CN2CCN(CC(F)(F)F)CC2=O)c(C)c1)C(=O)C=C
CN(CCOc1cncnc1-c1ccc(CN2CCN(CC(C)(C)C)CC2=O)cc1)C(=O)C=C
CN(CCOc1cncnc1-c1ccc(CN2CCN(CC(C)(C)C)CC2=O)c(F)c1)C(=O)C=C
CN(CCOc1cncnc1-c1ccc(CN2CCN(CC2=O)C2CCOC2)c(F)c1)C(=O)C=C
CC(C)CN1CCN(Cc2ccc(cc2C)-c2ccnc(N)c2OCCN(C)C(=O)C=C)C(=O)C1
CC(C)CN1CCN(Cc2ccc(cc2C)-c2ncnc(N)c2OCCN(C)C(=O)C=C)C(=O)C1
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)CCC(=O)N1CCN(CC#Cc2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)CC1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)CC(=O)NCC#CCN1CCN(CC#Cc2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)CC1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)CCC(=O)NCC#CCN1CCN(CC#Cc2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)CC1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)CCCC(=O)NCC#CCN1CCN(CC#Cc2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)CC1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)CCCCC(=O)NCC#CCN1CCN(CC#Cc2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)CC1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)CCCCCCC(=O)NCC#CCN1CCN(CC#Cc2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)CC1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)\C=C\C(=O)NCC#CCN1CCN(CC#Cc2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)CC1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)\C=C\C(=O)N1CCN(CC#Cc2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)CC1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C1(CC1)C(=O)NCC#CCN1CCN(CC#Cc2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)CC1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C1(CC1)C(=O)N1CCN(CC#Cc2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)CC1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)[C@H]1CCCC[C@H]1C(=O)NCC#CCN1CCN(CC#Cc2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)CC1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)[C@H]1CCCC[C@H]1C(=O)N1CCN(CC#Cc2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)CC1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)[C@H]1CC[C@@H](CC1)C(=O)NCC#CCN1CCN(CC#Cc2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)CC1 |r,wU:34.42,wD:31.35,23.26,(19.52,-.95,;18.5,-2.08,;18.96,-3.57,;17.93,-4.69,;16.44,-4.39,;15.98,-2.9,;14.54,-2.28,;14.7,-.74,;16.24,-.44,;16.85,.95,;15.93,2.23,;16.55,3.62,;18.08,3.77,;18.7,5.16,;20.24,5.36,;20.86,6.75,;22.39,6.9,;23.32,5.67,;22.7,4.23,;21.16,4.08,;19.01,2.54,;18.39,1.1,;17.01,-1.77,;13.21,-3.05,;13.21,-4.59,;11.88,-5.36,;10.54,-4.59,;10.54,-3.05,;11.88,-2.28,;9.21,-2.28,;9.21,-.74,;7.88,-3.05,;6.54,-2.28,;5.21,-3.05,;5.21,-4.59,;6.54,-5.36,;7.88,-4.59,;3.87,-5.36,;3.87,-6.9,;2.54,-4.59,;1.21,-5.36,;-.13,-4.59,;-1.46,-3.82,;-2.8,-3.05,;-4.13,-3.82,;-4.13,-5.36,;-5.46,-6.13,;-6.8,-5.36,;-8.13,-6.13,;-9.47,-5.36,;-10.76,-4.61,;-12.1,-3.84,;-12.1,-2.3,;-13.43,-1.54,;-14.76,-2.3,;-16.25,-1.84,;-16.71,-.36,;-17.17,-3.07,;-16.25,-4.31,;-14.76,-3.84,;-13.43,-4.61,;-18.71,-3.07,;-19.48,-4.41,;-21.02,-4.41,;-21.79,-3.07,;-23.33,-3.07,;-21.02,-1.74,;-19.48,-1.74,;-18.71,-.41,;-6.8,-3.82,;-5.46,-3.05,)|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CCN(CC#Cc2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)CC1 |r,wU:34.42,wD:31.35,23.26,(-14.72,-2.08,;-14.76,-.55,;-16.11,.19,;-16.14,1.72,;-14.83,2.52,;-13.48,1.79,;-12.01,2.28,;-11.06,1.07,;-11.95,-.18,;-11.45,-1.65,;-9.91,-1.92,;-9.42,-3.39,;-10.41,-4.54,;-9.92,-6.02,;-8.43,-6.29,;-7.43,-5.09,;-5.89,-5.41,;-5.39,-6.83,;-6.39,-8.03,;-7.88,-7.71,;-11.96,-4.27,;-12.45,-2.8,;-13.44,.25,;-11.58,3.78,;-12.63,4.88,;-12.2,6.37,;-10.68,6.72,;-9.63,5.56,;-10.05,4.12,;-8.15,5.95,;-7.77,7.45,;-7.05,4.85,;-7.37,3.41,;-6.27,2.31,;-4.8,2.76,;-4.42,4.25,;-5.57,5.3,;-3.7,1.71,;-4.07,.21,;-2.22,2.15,;-1.12,1.05,;.35,1.49,;.73,2.99,;2.2,3.43,;3.3,2.38,;4.43,1.31,;5.55,.23,;5.14,-1.25,;6.22,-2.33,;7.7,-1.92,;8.98,-2.74,;8.98,-4.27,;10.16,-1.82,;9.65,-.38,;8.11,-.44,;7.04,.64,;11.65,-2.18,;12.77,-1.1,;14.26,-1.51,;14.62,-2.99,;16.1,-3.4,;13.54,-4.07,;12.06,-3.66,;10.98,-4.79,;-.37,4.04,;-1.85,3.64,)|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(CC1)C1CCN(CC#Cc2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)CC1
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(Cc4cccc(NC(=O)C=C)c4)c3n2)cc1
CCc1nc(C)cn1Cc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
CCc1nc(C)cn1Cc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CC2CN(CC2C1)C(=O)C=C
Nc1cccc(Cn2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc23)c1
Nc1ccc(Cn2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc23)cc1
Nc1ncnc2n(Cc3cccc(NC(=O)CCl)c3)nc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)nc3)c12)C1CCCN(C1)C(=O)CCl
CN1CCN(CC1)c1ccc(Nc2nc(Nc3ccc(F)c(F)c3)c3ncn(CC4CC4)c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2nc(Nc3ccc(F)c(F)c3)c3ncn(CC4CC4)c3n2)cc1F
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C(Cl)=C |r|
COc1cc(ccc1Nc1ncc2COC(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc2C(C)OC(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1
CC(C)Cc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)NCCNC(=O)C=C)c([nH]c1=O)c23 |(-10.11,3.45,;-8.77,2.68,;-8.77,1.14,;-7.44,3.45,;-6.11,2.68,;-6.11,1.14,;-4.78,.37,;-4.78,-1.17,;-3.44,1.14,;-3.44,2.69,;-4.78,3.45,;-2.11,.37,;-2.11,-1.17,;-3.44,-1.94,;-3.44,-3.48,;-2.11,-4.25,;-.77,-3.48,;.88,-3.59,;1.65,-2.25,;3.17,-2.05,;4.11,-3.27,;3.76,-.63,;5.29,-.43,;5.88,1,;7.4,1.2,;7.99,2.62,;6.9,3.71,;9.52,2.82,;10.11,4.25,;.56,-1.17,;.56,.37,;-.78,1.14,;-.78,2.68,;-.77,-1.94,)|
CC(C)CC1=NC[C@H](C(C)=C1)n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,c:9,t:4|
Cc1ccc(NC(=O)c2cccc(c2)-c2ccccc2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Cc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Cc1ccc(NC(=O)c2ccc3cc4ccccc4cc3c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Cc1ccc(NC(=O)OCc2ccccc2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Cc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1 |TLB:8:9:12:16.15.14,THB:14:15:12.13.18:10,14:13:10:16.15.17,17:15:12:18.9.10,17:9:12:16.15.14|
Cc1ccc(NC(=O)c2cccc(c2)-c2ccc(F)cc2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Cc1ccc(NC(=O)c2cccc(c2)-c2cccnc2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Cc1ccc(NC(=O)c2cccc(c2)-c2ccc(F)nc2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Cc1ccc(NC(=O)c2cccc(c2)-c2ccco2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Cc1ccc(NC(=O)c2ccc3cc(Br)ccc3c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Cc1ccc(NC(=O)c2ccc3cc(O)ccc3c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
COc1ccc2cc(ccc2c1)C(=O)Nc1ccc(C)c(c1)C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Cc1ccc(NC(=O)c2ccc3cnccc3c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Cc1ccc(NC(=O)c2ccc3cnccc3c2)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1
Cc1ccc(NC(=O)c2ccc3cnccc3c2)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)CCNC(=O)C=C)c2)nc1
Cc1ccc(NC(=O)c2ccc3cnccc3c2)cc1C(=O)Nc1cnc(Nc2cccc(NC3CCN(CC3)C(=O)C=C)c2)nc1
Cc1ccc(NC(=O)c2ccc3cnccc3c2)cc1C(=O)Nc1cnc(Nc2cccc(NC3CCN(CC3)C(=O)CF)c2)nc1
CN(C)C\C=C\C(=O)N1CCC(CC1)Nc1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccc5cnccc5c4)ccc3C)cn2)c1
Cc1cc(cc(c1)OCc2ccc(cc2)CN3CCC[C@@H]3CO)CS(=O)(=O)c4ccccc4
Cc1cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)cc(CS(=O)(=O)c2ccccc2)c1Br |r|
CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCc3ccc(NC(=O)C(=C\C(C)(C)N)\C#N)cc3)c2n1
Clc1ccc(NCC(=O)N2CCC[C@H](C2)Nc2ncnc3[nH]ccc23)cc1 |r|
Clc1cccc(NCC(=O)N2CCC[C@H](C2)Nc2ncnc3[nH]ccc23)c1 |r|
FC(F)(F)c1cccc(NCC(=O)N2CCC[C@H](C2)Nc2ncnc3[nH]ccc23)c1 |r|
Fc1cc(NCC(=O)N2CCC[C@H](C2)Nc2ncnc3[nH]ccc23)cc(c1)C(F)(F)F |r|
FC(F)(F)c1cc(Cl)cc(NCC(=O)N2CCC[C@H](C2)Nc2ncnc3[nH]ccc23)c1 |r|
Fc1cc(Cl)cc(NCC(=O)N2CCC[C@@H](C2)Nc2ncnc3[nH]ccc23)c1 |r|
Fc1cc(Cl)cc(NCC(=O)N2CCC[C@H](C2)Nc2ncnc3[nH]ccc23)c1 |r|
Clc1cc(Cl)cc(NCC(=O)N2CCC[C@@H](C2)Nc2ncnc3[nH]ccc23)c1 |r|
Clc1cc(Cl)cc(NCC(=O)N2CCC[C@H](C2)Nc2ncnc3[nH]ccc23)c1 |r|
Clc1cc(Cl)cc(NCC(=O)N2CCOCC(C2)Nc2ncnc3[nH]ccc23)c1
CC[C@@H](Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCOCC(C1)Nc1ncnc2[nH]ccc12 |r|
CCC[C@@H](Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCOCC(C1)Nc1ncnc2[nH]ccc12 |r|
Clc1cc(Cl)cc(NCC(=O)N2CCCCC(C2)Nc2ncnc3[nH]ccc23)c1
Clc1cc(Cl)cc(NCC(=O)N2CCCCC(C2)Nc2ncnc3[nH]ncc23)c1
CN(C1CCCCN(C1)C(=O)CNc1cc(Cl)cc(Cl)c1)c1ncnc2[nH]ncc12
CN(C1CCCCN(C1)C(=O)CNc1cc(Cl)cc(Cl)c1)c1ncnc2[nH]ccc12
CN(C1COCCN(C1)C(=O)CNc1cc(Cl)cc(Cl)c1)c1ncnc2[nH]ncc12
CN(C1COCCN(C1)C(=O)CNc1cc(Cl)cc(Cl)c1)c1ncnc2[nH]ccc12
CN(c1c2cc[nH]c2ncn1)[C@@H]3CCCN(C3)C(=O)CNc4cc(cc(c4)Cl)Cl
CN([C@H]1CCCN(C1)C(=O)CNc1cc(Cl)cc(Cl)c1)c1ncnc2[nH]ccc12 |r|
CC1CCC(CN1C(=O)CNc1cc(Cl)cc(Cl)c1)Nc1ncnc2[nH]ccc12
CC1CC(CN(C1)C(=O)CNc1cc(Cl)cc(Cl)c1)Nc1ncnc2[nH]ccc12
CC1CCN(CC1Nc1ncnc2[nH]ccc12)C(=O)CNc1cc(Cl)cc(Cl)c1
CC1C(CCCN1C(=O)CNc1cc(Cl)cc(Cl)c1)Nc1ncnc2[nH]ccc12
C[C@H]1[C@@H](CCCN1C(=O)CNc1cc(Cl)cc(Cl)c1)Nc1ncnc2[nH]ccc12 |r|
C[C@@H]1[C@@H](CCCN1C(=O)CNc1cc(Cl)cc(Cl)c1)Nc1ncnc2[nH]ccc12 |r|
CC1C(CCCN1C(=O)CNc1cc(Cl)cc(Cl)c1)N(C)c1ncnc2[nH]ccc12
[H][C@]12CCN(c3ncnc4[nH]ccc34)[C@@]1([H])CN(CC2)C(=O)CNc1cc(F)cc(Cl)c1 |r|
[H][C@]12CCN(c3ncnc4[nH]ccc34)[C@@]1([H])CN(CC2)C(=O)CNc1cc(Cl)cc(c1)C(F)(F)F |r|
[H][C@]12CCN(c3ncnc4[nH]ccc34)[C@@]1([H])CN(CC2)C(=O)CNc1cc(Cl)cc(Cl)c1 |r|
[H][C@]12CCN(c3ncnc4[nH]ccc34)[C@@]1([H])CN(CC2)C(=O)CNc1ccccc1S(=O)(=O)c1ccccc1 |r|
[H][C@]12CCN(c3ncnc4[nH]ccc34)[C@@]1([H])CN(CC2)C(=O)CNc1ccccc1S(=O)(=O)N1CCCCC1 |r|
[H][C@@]1(CCN(C1)C(=O)C#CC)n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r|
CC1C(=O)N(C(=O)c2cccc(F)c12)c1cccc(c1C)-c1c(F)cc(C(N)=O)c2[nH]c3C[C@H](CCc3c12)C(C)(C)O |r,wU:33.43,(.97,-6.93,;.97,-5.39,;-.37,-4.62,;-1.7,-5.39,;-.37,-3.08,;.97,-2.31,;.97,-.76,;2.3,-3.08,;3.63,-2.31,;4.96,-3.08,;4.97,-4.61,;3.64,-5.39,;3.64,-6.93,;2.3,-4.62,;-1.7,-2.31,;-3.03,-3.08,;-4.36,-2.31,;-4.37,-.77,;-3.03,0,;-1.7,-.77,;-.37,0,;-3.03,1.54,;-4.37,2.3,;-5.7,1.53,;-4.37,3.85,;-3.04,4.62,;-3.04,6.16,;-4.37,6.93,;-1.7,6.93,;-1.71,3.85,;-.21,4.32,;.67,3.1,;2.21,2.92,;2.83,1.51,;1.91,.26,;.37,.43,;-.25,1.85,;-1.71,2.31,;4.37,1.51,;4.37,-.03,;5.7,.74,;5.14,2.84,)|
NC(=O)[C@H]1CCN(C[C@@H]1N1CCCC(Nc2cc(Cl)cc(c2)C(F)(F)F)C1=O)c1ncnc(c1F)[N+]([O-])=O |r|
CC1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1
CN1CCN(CC1)c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)nc1
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(CC1)C(=O)C(Cl)=C
CC#CC(=O)N1CC[C@@H](C1)N1CN(c2c1ncnc2N)c1ccc(Oc2ccccc2)cc1 |r|
OC[C@@H]1CCC(CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
Cc1cccc(c1)C(=O)Nc1cc(C)cc(c1)C(=O)Nc1cnc(NC(=O)CNC(=O)C=C)nc1
Cn1cc(cn1)-c1ccc2ncc3CCC(=O)N(c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1
Nc1ncnc2n(Cc3ccccc3F)nc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncnc2n(Cc3cccc(NC(=O)C=C)c3)nc(-c3ccc(Oc4ccccc4)cc3)c12
CN1CCN(CC1)c1ccc(Nc2nc(Nc3ccc(F)cc3)c3ncn(CC4CC4)c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2nc(Nc3cccc(F)c3)c3ncn(CC4CC4)c3n2)cc1F
CN1CCN(CC1)c1ccc(Nc2nc(Nc3cccc(F)c3)c3ncn(CC4CC4)c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2nc(Nc3ccccc3)c3ncn(CC4CC4)c3n2)cc1
CC#CC(=O)NC1CCC[C@@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)nc3)c12)[C@@H]1CCCN(C1)C(=O)CCl |r|
C[C@@H]1CCN(C[C@@H]1n1ccc2cnc3[nH]ccc3c12)C(=O)CC#N |r|
C[C@@H]1CCN(C[C@@H]1n1ccc2cnc3[nH]cc(C#N)c3c12)C(=O)CC#N |r|
CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(ccc3n2)-c2cncnc2)cn1
CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(c(F)cc3n2)-c2cnc(C)nc2)cn1
CC(C)Nc1nc(Nc2cnn(c2)C2CC3(C2)CN(C)C3)nc2cc(F)c(nc12)-c1cnc(C)nc1
NC(=O)c1c2NCCC(C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)c(O)c1
COc1cc(cc(OC)c1Oc1ccccc1)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
Cc1cc(cc(C)c1C)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
NC(=O)c1c2NCCC(C3CCN(CC3)C(=O)C=C)n2nc1-c1cc(Cl)c(Cl)c(Cl)c1
NC(=O)c1c2NCCC(C3CCN(CC3)C(=O)C=C)n2nc1-c1cc(Cl)c(Br)c(Cl)c1
COc1cc(cc(Cl)c1Br)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
CCOc1cc(cc(Cl)c1Br)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
COc1cc(cc(OC)c1Br)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
COc1cc(cc(OC)c1OC)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
COc1cc(cc(OC)c1Cl)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
COc1cc(cc(OC)c1C)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
CCc1c(OC)cc(cc1OC)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
CCCc1c(OC)cc(cc1OC)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
COc1cc(cc(OC)c1C(C)C)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
COc1cc(cc(OC)c1C1CC1)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
COc1cc(cc(OC)c1C1(C)CC1)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
COc1cc(cc(OC)c1C1CCCC1)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
COc1cc(cc2occc12)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
COc1cc(cc2sccc12)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
COc1cc(cc2scc(C)c12)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
COc1cc(cc2OCC(C)(C)c12)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
COc1cc(cc(OC)c1Br)-c1nn2[C@@H](CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C |r|
COc1cc(cc(OC)c1Br)-c1nn2[C@H](CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C |r|
COc1cc(cc(OC)c1C)-c1nn2[C@@H](CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C |r|
COc1cc(cc(OC)c1C)-c1nn2[C@H](CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C |r|
COc1cc(cc(OC)c1C1CC1)-c1nn2[C@@H](CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C |r|
COc1cc(cc(OC)c1C1CC1)-c1nn2[C@H](CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C |r|
COc1cc(cc(OC)c1C)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C#CC
COc1cc(cc(OC)c1C)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C
COc1cc(cc(OC)c1C1CC1)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C
COc1cc(cc2n(C)ccc12)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
COc1cc(cc2OCCCc12)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
COc1cc(cc2OC(C)(C)Cc12)-c1nn2C(CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C
CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
COc1ccncc1NC(=O)c2ccnc(c2)NC(=O)C3CC3
O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1)C1CC1
Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
Clc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
Cc1cc(Oc2ccccc2)ccc1-c1nn([C@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
Cc1cc(Oc2ccccc2)cc(C)c1-c1nn([C@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r,wD:18.19,(1.35,.46,;.58,1.79,;1.37,3.12,;.61,4.46,;1.39,5.78,;2.93,5.76,;3.72,7.09,;5.27,7.08,;6.02,5.73,;5.23,4.4,;3.69,4.43,;-.93,4.47,;-1.71,3.14,;-3.25,3.14,;-.96,1.81,;-1.65,.43,;-.93,-.93,;-2.01,-2.04,;-1.75,-3.56,;-2.85,-4.63,;-2.48,-6.12,;-1,-6.55,;.11,-5.48,;-.26,-3.98,;1.59,-5.89,;1.9,-7.09,;2.7,-4.83,;3.88,-5.17,;-3.38,-1.35,;-4.81,-1.92,;-6.02,-.97,;-5.8,.55,;-4.37,1.12,;-4.2,2.34,;-3.16,.17,)|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4ccc(F)cc4)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4ccc(cc4)C#N)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
CN(C)c1cccc(c1)C(=O)Nc1ccc(c2OCOc12)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
CN(C)c1ccccc1C(=O)Nc1ccc(c2OCOc12)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4ccco4)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4ccc(cc4)-c4ccccc4)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
CN1CCC(CC1)C(=O)Nc1ccc(c2OCOc12)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
Nc1ncnc2n(nc(-c3ccc(NC(=O)C45CCC(CC4)C5)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Nc1ncnc2n(nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C=C |r,TLB:23:22:25:19.18.17,23:18:25:22.24.21,THB:21:22:25.20.19:17,21:20:22.24.23:17|
CC#CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(NC(=O)c3ccccc3)c3OCOc23)c2c(N)ncnc12 |r|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4ccccc4)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)C(=C\C1CC1)\C#N |r|
Nc1ncnc2n(nc(-c3ccc(NC(=O)c4ccccc4)c4OCOc34)c12)[C@@H]1CCCN(C1)C(=O)CC#N |r|
CCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(NC(=O)c3ccccc3)c3OCOc23)c2c(N)ncnc12 |r|
Nc1ncnc2n(Cc3cccc(NC(=O)C=C)c3)nc(-c3ccc(NC(=O)c4ccccc4)c4OCOc34)c12
CN(C)c1ccc(cc1)C(=O)Nc1ccc(c2OCOc12)-c1nn(C[C@H]2CCCN2C(=O)C=C)c2ncnc(N)c12 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C(=O)CNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C(=O)c1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r|
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C(=O)CCCCCCCCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r|
Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(Nc2ccc(cc2)C#N)n1
Fc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccc(F)cc2)cc1
NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(C[C@H]2CCN(C2)c2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)CC1)N1CCCCC1 |r|
Cn1nc(N)c2c[nH]c3ncnc1c23
COc1ccc(Nc2nn([C@H]3CC[C@H](CO)CC3)c3ncnc4[nH]cc2c34)cc1 |r,wU:13.13,wD:10.9,(8,1.54,;6.67,2.31,;5.33,1.54,;4,2.31,;2.67,1.54,;2.67,-0,;1.33,-.77,;0,-0,;-1.33,-.77,;-2.67,-.01,;-4,-.78,;-5.33,-.01,;-6.67,-.78,;-6.67,-2.32,;-8,-3.09,;-8,-4.63,;-5.33,-3.09,;-4,-2.32,;-2.67,1.53,;-4.01,2.3,;-4.01,3.85,;-2.67,4.63,;-1.34,3.85,;.22,4.21,;.92,2.96,;-0,1.79,;-1.34,2.31,;4.01,-.77,;5.34,0,)|
COc1ccc(Nc2nn(C3CCN(CC3)C(=O)C=C)c3ncnc4[nH]cc2c34)cc1
C=CC(=O)N1CCC(CC1)n1nc(Nc2ccccc2)c2c[nH]c3ncnc1c23
C=CC(=O)N1CCC(CC1)n1nc(Nc2ccc(OC3CCCC3)cc2)c2c[nH]c3ncnc1c23
C=CC(=O)N1CCC(CC1)n1nc(Nc2ccc(OCC3CCCC3)cc2)c2c[nH]c3ncnc1c23
C=CC(=O)N1CCC(CC1)n1nc(Nc2ccc(cc2)N2CCOCC2)c2c[nH]c3ncnc1c23
COCCOc1ccc(Nc2nn(C3CCN(CC3)C(=O)C=C)c3ncnc4[nH]cc2c34)cc1
C=CC(=O)N1CCC(CC1)n1nc(Nc2ccc(Oc3ccccc3)cc2)c2c[nH]c3ncnc1c23
Clc1cc(Oc2ccccc2)ccc1Nc1nn(C2CCN(CC2)C(=O)C=C)c2ncnc3[nH]cc1c23
Cc1cc(Oc2ccccc2)ccc1Nc1nn(C2CCN(CC2)C(=O)C=C)c2ncnc3[nH]cc1c23
Fc1cc(Nc2nn(C3CCN(CC3)C(=O)C=C)c3ncnc4[nH]cc2c34)ccc1Oc1ccccc1
C=CC(=O)N1CCC(CC1)n1nc(Nc2ccc(Oc3ccccc3)cn2)c2c[nH]c3ncnc1c23
C=CC(=O)N1CCC(CC1)n1nc(Nc2cccc(Oc3ccccc3)c2)c2c[nH]c3ncnc1c23
C=CC(=O)N1CCC(CC1)n1nc(Nc2ccc(Oc3ccccn3)cc2)c2c[nH]c3ncnc1c23
C=CC(=O)N1CCC(CC1)n1nc(Nc2ccc(Oc3cccnc3)cc2)c2c[nH]c3ncnc1c23
C=CC(=O)N1CCC(CC1)n1nc(Nc2ccc(Oc3ccncc3)cc2)c2c[nH]c3ncnc1c23
Cn1cc(Oc2ccc(Nc3nn(C4CCN(CC4)C(=O)C=C)c4ncnc5[nH]cc3c45)cc2)cn1
C=CC(=O)N1CCC(CC1)n1nc(Nc2ccc(Nc3ccccc3)cc2)c2c[nH]c3ncnc1c23
C=CC(=O)N1CCC(CC1)n1nc(Nc2ccc(cc2)C(=O)Nc2ccccc2)c2c[nH]c3ncnc1c23
C=CC(=O)N1CCC(CC1)n1nc(Nc2ccc(cc2)C(=O)Nc2ccccn2)c2c[nH]c3ncnc1c23
C=CC(=O)N1CCC(CC1)n1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2c[nH]c3ncnc1c23
C=CC(=O)N1CCC(CC1)n1nc(Nc2ccc(cc2)C(=O)NC2CCCCC2)c2c[nH]c3ncnc1c23
C=CC(=O)N1CCC(CC1)n1nc(Nc2ccc(cc2)C(=O)NC2CC2)c2c[nH]c3ncnc1c23
CCC(=O)N1CCC(CC1)n1nc(Nc2ccc(Oc3ccccc3)cc2)c2c[nH]c3ncnc1c23
C\C=C\C(=O)N1CCC(CC1)n1nc(Nc2ccc(Oc3ccccc3)cc2)c2c[nH]c3ncnc1c23
CC(=C)C(=O)N1CCC(CC1)n1nc(Nc2ccc(Oc3ccccc3)cc2)c2c[nH]c3ncnc1c23
CC#CC(=O)N1CCC(CC1)n1nc(Nc2ccc(Oc3ccccc3)cc2)c2c[nH]c3ncnc1c23
ClCC(=O)N1CCC(CC1)n1nc(Nc2ccc(Oc3ccccc3)cc2)c2c[nH]c3ncnc1c23
C=CS(=O)(=O)N1CCC(CC1)n1nc(Nc2ccc(Oc3ccccc3)cc2)c2c[nH]c3ncnc1c23
O=C(C#C)N1CCC(CC1)n1nc(Nc2ccc(Oc3ccccc3)cc2)c2c[nH]c3ncnc1c23
CN(C)C\C=C\C(=O)N1CCC(CC1)n1nc(Nc2ccc(Oc3ccccc3)cc2)c2c[nH]c3ncnc1c23
O=C(\C=C\CN1CCOCC1)N1CCC(CC1)n1nc(Nc2ccc(Oc3ccccc3)cc2)c2c[nH]c3ncnc1c23
C=CC(=O)NC1CCC(CC1)n1nc(Nc2ccc(Oc3ccccc3)cc2)c2c[nH]c3ncnc1c23 |(-11.33,-3.09,;-10,-3.86,;-8.66,-3.09,;-8.66,-1.55,;-7.33,-3.86,;-6,-3.09,;-4.66,-3.86,;-3.33,-3.09,;-3.33,-1.55,;-4.66,-.78,;-6,-1.55,;-2,-.78,;-.66,-1.54,;.67,-.77,;2,-1.54,;3.34,-.77,;3.34,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;10,1.53,;11.33,.77,;11.33,-.77,;10.01,-1.54,;8.67,-.78,;6.01,-.77,;4.68,-1.54,;.67,.85,;1.59,2.19,;.89,3.44,;-.67,3.08,;-2,3.86,;-3.34,3.08,;-3.34,1.53,;-2,.76,;-.67,1.54,)|
C=CC(=O)N1CCC(Cn2nc(Nc3ccc(Oc4ccccc4)cc3)c3c[nH]c4ncnc2c34)CC1
C=CC(=O)N1CCCC(C1)n1nc(Nc2ccc(Oc3ccccc3)cc2)c2c[nH]c3ncnc1c23
C=CC(=O)N1CC[C@@H](C1)n1nc(Nc2ccc(Oc3ccccc3)cc2)c2c[nH]c3ncnc1c23 |r|
C=CC(=O)N1CC[C@H](C1)n1nc(Nc2ccc(Oc3ccccc3)cc2)c2c[nH]c3ncnc1c23 |r|
C=CC(=O)N1CCCC(CC1)n1nc(Nc2ccc(Oc3ccccc3)cc2)c2c[nH]c3ncnc1c23
C=CC(=O)N1CC(C1)n1nc(Nc2cccc(Oc3ccccc3)c2)c2c[nH]c3ncnc1c23
C=CC(=O)NC1CC(C1)n1nc(Nc2cccc(Oc3ccccc3)c2)c2c[nH]c3ncnc1c23 |(-10.28,-4.03,;-8.95,-4.8,;-7.61,-4.03,;-6.28,-4.8,;-7.61,-2.49,;-6.28,-1.72,;-4.79,-2.12,;-4.39,-.6,;-5.88,-.21,;-3.05,.17,;-1.72,-.6,;-.39,.17,;.95,-.6,;2.28,.17,;2.28,1.71,;3.61,2.48,;4.94,1.71,;4.95,.17,;6.28,-.59,;7.61,.17,;7.61,1.71,;8.94,2.48,;10.28,1.71,;10.28,.18,;8.95,-.6,;3.62,-.6,;-.39,1.79,;.53,3.13,;-.17,4.38,;-1.73,4.03,;-3.06,4.8,;-4.4,4.02,;-4.4,2.47,;-3.06,1.71,;-1.73,2.48,)|
C=CC(=O)NCCCn1nc(Nc2cccc(Oc3ccccc3)c2)c2c[nH]c3ncnc1c23
COc1ccc(F)cc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2c1c(N)n[nH]c2=O
Cc1ccc(NC(=O)c2ccc(cc2)-c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Cc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Cc1ccc(NC(=O)Cc2ccc(cc2)-c2ccccc2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CC(=O)Nc1ccc(C)c(c1)C(=O)Nc1cnc(Nc4cccc(N)c4)nc1)(C2)C3 |r,TLB:40:10:8:2.3.5,THB:40:3:8:10.9.39,9:6:2:40.10.39,9:10:2:6.8.5,11:10:8:2.3.5|
[H][C@]12C[C@]3([H])C[C@](O)(C1)C[C@](CC(=O)Nc1ccc(C)c(c1)C(=O)Nc1cnc(Nc4cccc(N)c4)nc1)(C2)C3 |r,TLB:11:10:5:2.1.8,THB:39:1:5:10.9.40,39:10:5:2.1.8,9:6:2:39.10.40,9:10:2:6.5.8|
CS(=O)(=O)N1CCc2cc(Nc3ncc(c(NCCCN)n3)C(F)(F)F)ccc2C1
NNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1F
CN1CCN(CC1)c1ccc(Nc2ncc(F)c(Nc3ccccc3C(=O)NN)n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(F)c(Nc3ccccc3C(=O)NN)n2)cc1F
CN1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1
C=CC(=O)N1CC[C@H](n2cc(-c3ccncc3)c(-c3cccc(/C=C/c4ncc(C5CC5)o4)c3)n2)C1
CC(C)(C)OC(=O)/C=C/C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
C[C@@H]1COCCN1c1nc(-c2ccnc3[nH]ccc23)nc2c1ccn2S(C)(=O)=O
C[C@@H]1COCCN1c1nc(-c2cncc3[nH]ccc23)nc2c1ccn2S(C)(=O)=O
C=CC(=O)N1CC(Oc2nn(C(C)(C)C)c3ncnc(N)c23)C1
CCC(=O)N1CC(C1)Oc2c3c(ncnc3n(n2)C(C)(C)C)N
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCN(C(=O)CN2CCN(CC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)CC1
Cc1cc(-c2nc(Nc3cnn(C4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)c3)ncc2F)ccc1CNC(=O)c1cn(C(C)(C)C)nn1
Cc1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
COC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
CCOC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
CNC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
CC(=O)N[C@H]1CC[C@H](c2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)CC1
N#CC1(CNc2cccc(-c3cc(Nc4cnn(Cc5ccc(C(=O)Nc6ccccc6N)cc5)c4)ncc3Cl)n2)CCOCC1
CCCNNC(=O)c1ccc(Cn2cc(Nc3ncc(Cl)c(-c4cnc5ccccn45)n3)cn2)cc1
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3O[C@H]3C[C@@H](O)C3)OC(C)(C)C4)n2)cn1
CNC(C)(C)/C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21
C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@]3(CCc4c3ccc(c4)NC(=O)NC)OC2=O
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F
C(Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)[C@@H]1CCCO1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)|
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl
CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc(c4)NC(=O)C=C)Cl
CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r|
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)s1
CC(NCc1ccc(cc1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1)C(C)(C)C