480 SMILES Strings for Cyclin-K/Cyclin-dependent kinase 12

Compound Name
SMILES String
COc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)c(OC)n1 |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc3N(CCOc3c2)C(=O)C=C)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc3N(CCCc3c2)C(=O)C=C)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(c2)-c2cnn(C)c2)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(Cl)c2)ncc1Cl |r|
Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(Cl)c2)nc1 |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2csc(NC(=O)C=C)n2)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2cnc(NC(=O)C=C)s2)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(c2)N2CCN(C)CC2)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(c2)N2CCOCC2)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(c2)N2CCCCC2)ncc1Cl |r|
Cn1cc(cn1)-c1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(F)c(OC2CC2)n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Br)c(OC)n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)c(OC2CC2)n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(C)c(OC2CC2)n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Br)cn1 |r|
Brc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1 |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Br |r|
Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1OC1CC1 |r|
Cc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1OC1CC1 |r|
Fc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1OC1CC1 |r|
FC(F)(F)COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(cc2)N(C)C(=O)C=C)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(C)c2)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc3N(CCc3c2)C(=O)C=C)ncc1Cl |r|
CN(C(=O)C=C)c1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|
Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|
Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc3N(CCc3c2)C(=O)C=C)nc1 |r|
COc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|
Cc1cc(NC(=O)C=C)ccc1C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|
Cc1cc(cc(C)c1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|
Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc3N(CCOc3c2)C(=O)C=C)nc1 |r|
Cn1nccc1-c1ccnc(N[C@@H]2CCCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)n1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1nccc(n1)N1CCOCC1 |r|
CCOc1ccnc(N[C@@H]2CCCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)n1 |r|
Clc1cnc(N[C@@H]2CCCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)cn1 |r|
Cn1cc(cn1)-c1ccnc(N[C@@H]2CCCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)n1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1nccc(OC2CCCC2)n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1nccc(n1)-c1cn[nH]c1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1nccc(n1)N1CCOCC1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1nccc(n1)-c1cn[nH]c1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1nccc(n1)-c1cn[nH]c1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1nccc(OC2CCCC2)n1 |r|
Cn1cc(Oc2ccnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)n2)cn1 |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1nccc(n1)-c1cncs1 |r|
Cc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|
Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)cn1 |r|
COc1cc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|
Cc1cc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|
Cc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(cn1)C1CC1 |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1F |r|
FC(F)(F)c1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)cn1 |r|
Cc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)cn1 |r|
CNc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|
Clc1ccc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1 |r|
CN(C(=O)C=C)c1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(cn1)C#N |r|
Cc1ccc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1 |r|
Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Br)cn1 |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(cn2)N(C)C(=O)C=C)ncc1Cl |r|
Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(cn1)C(F)(F)F |r|
Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)c(C)n1 |r|
CCC(=C)C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|
Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NS(=O)(=O)C=C)cc2)nc1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ccc(cn1)C1CC1 |r|
CN(C)c1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|
Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1 |r|
COCCOc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|
Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1N1CCC1 |r|
Nc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|
Nc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1C(F)(F)F |r|
FC(F)(F)c1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|
Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2csc(NC(=O)C=C)n2)nc1 |r|
Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1Oc1ccccc1 |r|
CCOc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|
Oc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1C1CC1 |r|
FC(F)(F)c1cnc(N[C@@H]2CCN(C2)C(=O)c2csc(NC(=O)C=C)n2)nc1 |r|
COc1nc(N[C@@H]2CCCN(C2)C(=O)c2csc(NC(=O)C=C)n2)ncc1Cl |r|
Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1OCCC#N |r|
Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(OC3CCOC3)c2)nc1 |r|
CN(C(=O)C=C)c1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Br)cn1 |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2cccc(NC(=O)C=C)c2)ncc1Cl |r|
COc1nc(N[C@@H]2CCCN(C2)C(=O)c2cccc(NC(=O)C=C)c2)ncc1Cl |r|
CC(C)Cc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1 |r|
C[C@@]1(CCN(C1)C(=O)c1ccc(NC(=O)C=C)cc1)Nc1ncc(Cl)cn1 |r|
C[C@]1(CCN(C1)C(=O)c1ccc(NC(=O)C=C)cc1)Nc1ncc(Cl)cn1 |r|
Cn1nc(cc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|
CN(C)CCOc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|
CN(C(=O)C=C)c1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(cn1)C#C |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN(C)C)cc2)ncc1Cl |r|
Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2cccc(c2)N2C(=O)C=CC2=O)nc1 |r,c:24|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN(C)C)c(C)c2)ncc1Cl |r|
CN(C)c1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1C(F)(F)F |r|
CCOc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(c2)N2CCN(C)CC2)ncc1Cl |r|
CNc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1C(F)(F)F |r|
CCOc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(CNC(=O)\C=C\CN(C)C)cc2)ncc1Cl |r|
CN(C)C\C=C\C(=O)NCc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|
CCOCCOc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(c2)N2CCN(C)CC2)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C#C)cc2)ncc1Cl |r|
Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C#C)cc2)nc1 |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(cc2)N2C(=O)C=CC2=O)ncc1Cl |r,c:24|
CN(C)C1CCN(C1)c1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2cccc(c2)N2C(=O)C=CC2=O)ncc1Cl |r,c:24|
CN(C)C\C=C\C(=O)N1CCOc2c1cccc2C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|
Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc3CCN(Cc3c2)C(=O)C=C)nc1 |r|
C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|
Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc3CN(CCc3c2)C(=O)C=C)nc1 |r|
Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)CC#N)cc2)nc1 |r|
CN(C)\C=C(/C#N)C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|
CN(C)\C=C(/C#N)C(=O)Nc1cccc(c1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|
Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc3CCN(C(=O)C=C)c3c2)nc1 |r|
OCCOc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|
Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(cc2)N2C(=O)C=CC2=O)nc1 |r,c:24|
Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C3CO3)cc2)nc1 |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C3CO3)cc2)ncc1Cl |r|
CCOc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(OC3CCOC3)c2)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(OCCN(C)C)c2)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN(C)C)c(F)c2)ncc1Cl |r|
CN(C)C\C=C\C(=O)N1CCc2ccc(cc12)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ccc(cn1)C#N |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(cn1)C#N |r|
CN(C)C\C=C\C(=O)N1CCc2cc(ccc2C1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\C)cn2)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C#CC)cc2)ncc1Cl |r|
CCOc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cn2)ncc1Cl |r|
CCOCCOc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|
Clc1cnc(N[C@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1 |r|
Brc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(OCCN3CCOCC3)c2)nc1 |r|
CN(C)CCOc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Br)cn1 |r|
CN(C)C1CCN(CC1)c1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Br)cn1 |r|
CN(C)CCN(C)c1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Br)cn1 |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1C#N |r|
FC1(F)CCN(CCOc2cc(ccc2NC(=O)C=C)C(=O)N2CC[C@H](C2)Nc2ncc(Br)cn2)CC1 |r|
CN1CC[C@H](C1)Oc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Br)cn1 |r|
CN1CC[C@@H](C1)Oc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Br)cn1 |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(OCCN(C)C)c2)ncc1C#N |r|
CN(C)CCOc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(cn1)C#N |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CC[C@@H](F)C3)cc2)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CCOCC3)cc2)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CC[C@H](F)C3)cc2)ncc1Cl |r|
COc1nc(NC2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CC[C@@H](F)C3)cn2)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CC[C@H](F)C3)cn2)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(OCCN3CCCC(F)(F)C3)c2)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CCCC(F)(F)C3)cc2)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CCOCC3)cn2)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CCC[C@H](F)C3)cn2)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CCC[C@@H](F)C3)cn2)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CCC[C@H](F)C3)cc2)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CCC[C@@H](F)C3)cc2)ncc1Cl |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CC[C@@H](F)C3)nc2)ncc1Cl |r|
COc1nc(N[C@@H]2C[C@H](C)N(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(cn1)C#C |r|
COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1C#C |r|
COc1nc(N[C@@H]2C[C@@H](C)N(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|
FC(F)(F)c1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccccc2n1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1cc2ccccc2cn1 |r|
Clc1ccc2nc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|
COc1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
COc1ccc2nc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|
Cc1ccc2nc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|
Cc1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
CS(=O)(=O)c1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
CN(C)C(=O)c1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
NC(=O)c1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
OC(=O)c1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
CC(C)n1c2nc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2ccc1=O |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccc(=O)[nH]c2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccccc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1cc2ccccc2cn1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2cc(Cl)ccc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccc(OC)cc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccc(cc2n1)S(C)(=O)=O |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccc(Cl)cc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccc(F)cc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r|
Clc1ccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1cc2ccccc2cn1 |r|
Fc1ccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|
COc1ccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|
Cc1ccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccncc2n1 |r|
Cc1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
CS(=O)(=O)c1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
COc1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
Fc1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
Clc1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(cc2n1)C#N |r|
OC(=O)c1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
NC(=O)c1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
CNC(=O)c1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
CN(C)C(=O)c1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(=O)[nH]c2n1 |r|
CC(C)n1c2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2ccc1=O |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1cc2ccccc2cn1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2cc(F)ccc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2cc(Cl)ccc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2cc(OC)ccc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2cc(C)ccc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccncc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(OC)cc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(cc2n1)S(C)(=O)=O |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(Cl)cc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(F)cc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(cc2n1)C#N |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(cc2n1)C(O)=O |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(cc2n1)C(N)=O |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(cc2n1)C(=O)N(C)C |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(=O)[nH]c2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r|
Fc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
F[C@H]1CN(C[C@@H]1Nc1ncc2ccccc2n1)C(=O)c1ccc(NC(=O)C=C)cc1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CC(C1)Nc1ncc2ccccc2n1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccccc2n1 |r|
C=CC(=O)Nc1ccc(cn1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1F)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
Fc1ccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)c(F)c3)ncc2c1 |r|
O=C(Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1)C#C |r|
COc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
COc1cc(NC(=O)C=C)ccc1C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
CN(C(=O)C=C)c1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
Cc1cc(cc(F)c1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2cc(F)ccc2n1 |r|
CC#CC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
Cc1cc(NC(=O)C=C)ccc1C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
C=CC(=O)N1CCCc2cc(ccc12)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
C=CC(=O)N1CCOc2cc(ccc12)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
COc1cc(ccc1NC(=O)\C=C\CN(C)C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1Cl)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
CN(C)C\C=C\C(=O)N1CCOc2cc(ccc12)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
COc1cc(NC(=O)\C=C\CN(C)C)ccc1C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
CN(C)C\C=C\C(=O)N(C)c1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
C=CC(=O)Nc1cccc(c1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
Clc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
CN(C)C\C=C\C(=O)N1CCCc2cc(ccc12)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
Fc1cccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc12 |r|
Fc1cccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc12 |r|
Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2cc(F)ccc2n1 |r|
Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(cc2n1)S(C)(=O)=O |r|
CCC(=C)C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
C=CS(=O)(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
C[C@H]1CN(C[C@@H]1Nc1ncc2ccccc2n1)C(=O)c1ccc(NC(=O)C=C)cc1 |r|
CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(O[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(ccc12)N1CCCCC1=O |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(ccc12)N1CCCC1=O |r|
CN1CCC[C@@H](C1)Nc1ncc(c(n1)-c1c[nH]c2cc(ccc12)N1CCCC1=O)C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(ccc12)N1CCCOC1=O |r|
CC1(C)COC(Nc2ccc3c(c[nH]c3c2Br)-c2nc(N[C@H]3CCCNC3)ncc2C(F)(F)F)=N1 |r,c:37|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(NC(=O)C3CC3)ccc12 |r|
CC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
CC(=O)Nc1ccc2c(c[nH]c2c1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cc(NC(=O)C3CC3)ccc12 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(ccc12)N1CCOC1=O |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cc(ccc12)N1CCCC1=O |r|
COC(=O)Nc1ccc2c(c[nH]c2c1P(C)(C)=O)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
CC(=O)Nc1ccc2c(c[nH]c2c1P(C)(C)=O)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(Br)c(ccc12)N1CCC1=O |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(NC2CC3(CNC3)C2)ncc1C(F)(F)F
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC[C@H](N)C2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC[C@@H](N)C2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@@H]2CCC[C@H](N)C2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@@H]2CCC[C@@H](N)C2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@@H]2[C@H]3CNC[C@@H]23)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2[C@H]3CNC[C@@H]23)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(NC2C3CCNC23)ncc1C(F)(F)F
COC(=O)Nc1ccc2c(c[nH]c2c1C#N)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(NC2CC3CNCC3C2)ncc1C(F)(F)F
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC[C@@H](O)C2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(NC2CC3(CC(N)C3)C2)ncc1C(F)(F)F |(-8.58,5.38,;-8.58,3.84,;-7.25,3.07,;-7.25,1.53,;-5.91,3.84,;-4.58,3.07,;-4.58,1.53,;-3.25,.76,;-1.91,1.53,;-.45,1.06,;.46,2.3,;-.45,3.55,;-1.91,3.07,;-3.25,3.84,;-3.25,5.38,;-.05,-.43,;1.44,-.83,;1.84,-2.32,;3.32,-2.72,;4.41,-1.63,;5.95,-1.63,;5.95,-.09,;7.49,-.09,;7.49,1.45,;8.58,2.54,;5.95,1.45,;4.41,-.09,;.75,-3.41,;-.74,-3.01,;-1.14,-1.52,;-2.63,-1.12,;-3.03,.36,;-3.72,-2.21,;-4.11,-.72,)|
COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1OC)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
CCOC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
CCOC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@@H]2CNCC(C)(C)C2)ncc1C(F)(F)F |r|
CC(C)OC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(O[C@H]2CCCN(C)C2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1-c1ccccc1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COCCOC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1S(=O)(=O)C(C)C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1S(=O)(=O)C(C)C)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1S(=O)C(C)C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1SC(C)C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC[C@@H]2N)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1-c1cnn(C)c1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(C)C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(C)=C)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1Br |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|
CCOC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C1COC1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1OCC(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1Cl |r|
COC(=O)Nc1ccc2c(c[nH]c2c1CC(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1Cl |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CCCNC2)ncc1Cl |r|
COC(=O)Nc1ccc2c(c[nH]c2c1OC(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1Cl |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|
COC(=O)N(C)c1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C1CC(F)(F)C1)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1OC(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1OC(F)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
CCOC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CCC(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C1CC1)-c1nc(N[C@H]2CC[C@H](C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1OC)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(C)=O)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(C)=O)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(C)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(C)(F)F)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|
CCOc1c(NC(=O)OC)ccc2c(c[nH]c12)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1OCC(F)(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1OC)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Br)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1OCC(F)(F)F)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1OCC(F)(F)F)-c1nc(N[C@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F |r|
CCOC(=O)Nc1ccc2c(c[nH]c2c1C(C)(F)F)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1OC(F)F)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(F)F)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1C(F)F)-c1nc(N[C@H]2CCCN(C)C2)ncc1C(F)(F)F |r|
CCOc1c(NC(=O)OC)ccc2c(c[nH]c12)-c1nc(N[C@H]2CCCN(C)C2)ncc1C(F)(F)F |r|
COC(=O)N(C)c1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)N(C)c1ccc2c(c[nH]c2c1C(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)N(C)c1ccc2c(c[nH]c2c1C(F)(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)N(C)c1ccc2c(c[nH]c2c1OC(F)F)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
COC(=O)Nc1ccc2c(c[nH]c2c1Cl)-c1nc(N[C@H]2CCCN(C)C2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCOCC1 |r|
C[C@@H]1CN([C@H](C)CO1)c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
OC1CCN(CC1)c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
OCC1CCN(CC1)c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CC2COCC2C1 |r|
CC1(O)CCN(C1)c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCCC2(CCOC2)C1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCC2(COC2)C1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCC2(CCOC2)CC1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCCC2(CCOCC2)C1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CC2(C1)CCOC2 |r|
C[C@@H]1OCC2(CCN(CC2)c2ccc3c(c[nH]c3n2)-c2nc(N[C@H]3CCCNC3)ncc2C(F)(F)F)[C@@H]1N |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1C[C@@H]2C[C@H]1CO2 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CC2(COC2)C1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCC2(COC2)CC1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCC2(CCO2)CC1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CC2(C1)CCCOC2 |r|
C[C@H]1COCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
C[C@@H]1COCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCC(CC1)C#N |r|
CC1(CN(C1)c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F)C#N |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCCOCC1 |r|
CC1(O)CCN(CC1)c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCN(CC1)C1COC1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCS(=O)(=O)CC1 |r|
C[C@H]1COCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C1=CCOCC1 |r,t:30|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C1CCOCC1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C1CCOC1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C1CCCCO1
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C12CC1COCC2 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CC2CCC1CO2 |r|
FC(F)(F)[C@H]1COCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CC2CC(C1)O2 |r|
FC(F)(F)c1cnc(N[C@@H]2[C@@H]3CC[C@H]2NC3)nc1-c1c[nH]c2nc(ccc12)N1CCOCC1 |r|
FC(F)(F)c1cnc(N[C@@H]2CN3CCC2CC3)nc1-c1c[nH]c2nc(ccc12)N1CCOCC1 |r,wD:9.8,(4.34,1.3,;4.82,-.17,;6.33,-.49,;5.85,.98,;3.79,-1.31,;4.27,-2.78,;3.23,-3.92,;1.73,-3.6,;.7,-4.74,;-.81,-4.42,;-1.84,-5.57,;-3.35,-5.25,;-3.82,-3.78,;-2.79,-2.64,;-1.28,-2.96,;-2.44,-3.28,;-3.14,-3.87,;1.25,-2.14,;2.28,-.99,;1.81,.47,;2.71,1.72,;1.81,2.97,;.34,2.49,;-.99,3.26,;-2.32,2.49,;-2.32,.95,;-.99,.18,;.34,.95,;-3.66,3.26,;-3.66,4.8,;-4.99,5.57,;-6.33,4.8,;-6.33,3.26,;-4.99,2.49,)|
CC1(C)CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2nc(ccc12)N1CCOCC1)C(F)(F)F |r|
C[C@H]1CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2nc(ccc12)N1CCCOC[C@@H]1C)C(F)(F)F |r|
C[C@H]1COCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|
C[C@H]1COCCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@@H]2CNCC(F)(F)C2)ncc1C(F)(F)F |r|
C[C@H]1CNC[C@H](C1)Nc1ncc(c(n1)-c1c[nH]c2nc(ccc12)N1CCCOC[C@@H]1C)C(F)(F)F |r|
C[C@H]1COCCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@@H]2CNC[C@@H](F)C2)ncc1C(F)(F)F |r|
C[C@H]1COCCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@@H]2CNC[C@H](F)C2)ncc1C(F)(F)F |r|
C[C@H]1COCCCN1c1nc2[nH]cc(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c2cc1F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cc(ccc12)N1CCCC1
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1C2CC1COC2 |r|
CC[C@H]1COCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C1=CCOC1 |r,t:30|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C1=CCCCO1 |r,t:30|
CC1COCCC1c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
CP(C)(=O)c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
C[C@@H]1CNC[C@H](C1)Nc1ncc(c(n1)-c1c[nH]c2nc(ccc12)N1CCOC[C@@H]1C)C(F)(F)F |r|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
FC(F)(F)c1ccc(-c2nnc(CNc3nc(N4CCOCC4)nc4c(Br)cnn34)[nH]2)cc1
FC(F)(F)Oc1ccc(-c2nnc(CNc3nc(N4CCOCC4)nc4c(Br)cnn34)[nH]2)cc1
FC(F)(F)c1ccc(-c2cnc(CNc3nc(N4CCOCC4)nc4c(Br)cnn34)[nH]2)cc1
FC(F)(F)Oc1ccc(-c2cnc(CNc3nc(N4CCOCC4)nc4c(Br)cnn34)[nH]2)cc1
FC(F)(F)Oc1ccc(-c2nnc(CNc3nc(N4CCOCC4)nc4c(C(F)(F)F)cnn34)[nH]2)cc1
FC(F)(F)c1ccc(-c2nnc(CNc3nc(N4CCOCC4)nc4c(C(F)(F)F)cnn34)[nH]2)cc1
FC(F)(F)c1ccc(-c2cnc(CNc3nc(N4CCOCC4)nn4c(C(F)(F)F)cnc34)[nH]2)cc1
FC(F)(F)Oc1ccc(-c2cnc(CNc3nc(N4CCOCC4)nn4c(C(F)(F)F)cnc34)[nH]2)cc1
FC(F)(F)c1ccc(-c2cnc(CNc3nc(N4CCOCC4)nc4c(C(F)(F)F)cnn34)[nH]2)cc1
FC(F)(F)Oc1ccc(-c2cnc(CNc3nc(N4CCOCC4)nc4c(C(F)(F)F)cnn34)[nH]2)cc1
FC(F)(F)c1ccc(-c2nnc(CNc3nc(N4CCOCC4)nn4c(C(F)(F)F)cnc34)[nH]2)cc1
FC(F)(F)c1ccc(-c2cnc(CNc3nc(N4CCOCC4)nn4c(C(F)(F)F)cnc34)[nH]2)cn1
COc1ccc(-c2cnc(CNc3nc(N4CCOCC4)nn4c(C(F)(F)F)cnc34)[nH]2)cc1
COc1ccc(-c2nnc(CNc3nc(N4CCOCC4)nc4c(C(F)(F)F)cnn34)[nH]2)cn1
FC(F)(F)c1ccc(-c2nnc(CNc3nc(N4CCOCC4)nc4c(C(F)(F)F)cnn34)[nH]2)cn1
FC(F)(F)Oc1ccc(-c2nnc(CNc3nc(N4CCOCC4)nc4c(C(F)(F)F)cnn34)[nH]2)cn1
COc1ccc(-c2nnc(CNc3nc(N4CCOCC4)nn4c(C(F)(F)F)cnc34)[nH]2)cn1
FC(F)(F)Oc1ccc(-c2nnc(CNc3nc(N4CCOCC4)nn4c(C(F)(F)F)cnc34)[nH]2)cn1
FC(F)(F)c1ccc(-c2nnc(CNc3nc(N4CCOCC4)nn4c(C(F)(F)F)cnc34)[nH]2)cn1
Cc1ccc(-c2nnc(CNc3nc(N4CCOCC4)nc4c(C(F)(F)F)cnn34)[nH]2)cn1
Cc1ccc(-c2nnc(CNc3nc(N4CCOCC4)nn4c(C(F)(F)F)cnc34)[nH]2)cn1
FC(F)(F)c1ccc(-c2cnc(CNc3nc(N4CCOCC4)nc4c(C(F)(F)F)cnn34)[nH]2)cn1
CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cn3)nc(-c3cccnc3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)cn3)nc(-c3cccnc3)nc21
Cc1ccc(-c2ccc(CNc3nc(-c4cccnc4)nc4c3ncn4C(C)C)nc2)cn1
CC(C)n1cnc2c(NCc3ccc(-c4ccncc4)cn3)nc(-c3cccnc3)nc21
Cc1cc(-c2ccc(CNc3nc(-c4cccnc4)nc4c3ncn4C(C)C)nc2)ccn1
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3cccnc3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4ccncc4)nc3)nc(-c3cccnc3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3ccccc3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3cccc(C(N)=O)c3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3ccc(C(N)=O)cc3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3ccc4[nH]ccc4c3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3ccc4cn[nH]c4c3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3ccc4[nH]ncc4c3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3cnc4ccccc4c3)nc21
Cc1ccc(-c2nc(NCc3ccc(-c4cccnc4)nc3)c3ncn(C(C)C)c3n2)cn1
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3ccc(N)nc3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3ccnc(N)c3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3cncnc3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3cnc(N)nc3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3ccn[nH]3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3cn[nH]c3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3ccccc3N)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3cccc(N)c3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3ccc(N)cc3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3ccc(F)nc3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3ccnc(F)c3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3ccccc3NCCO)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3ccccc3NCCCO)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3cccc(NCCCO)c3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3ccc(NCCCO)cc3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3ccc(NCCO)nc3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3ccc(NCCCO)nc3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3ccnc(NCCO)c3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3ccnc(NCCCO)c3)nc21
Cc1cc(N)n(-c2nc(NCc3ccc(-c4cccnc4)nc3)c3ncn(C(C)C)c3n2)n1
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-n3cc(CO)nn3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-n3cc(CCO)nn3)nc21
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3cccc(O)c3)nc21
COc1cncc(-c2nc(NCc3ccc(-c4cccnc4)nc3)c3ncn(C(C)C)c3n2)c1
CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3ccc(N)nc3)nc21
CCn1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3cccnc3)nc21
c1cncc(-c2ccc(CNc3nc(-c4cccnc4)nc4c3ncn4C3CCCC3)cn2)c1
c1cncc(-c2ccc(CNc3nc(-c4cccnc4)nc4c3ncn4C3CCOCC3)cn2)c1
CCn1cnc2c(NCc3ccc(-c4ccnc(C)c4)nc3)nc(-c3ccc(N)nc3)nc21
CCn1cnc2c(NCc3ccc(-c4ccnc(C)c4)nc3)nc(-c3cnc(N)nc3)nc21
CCn1cnc2c(NCc3ccc(-c4ccnc(C)c4)nc3)nc(-c3cncnc3)nc21
CCn1cnc2c(NCc3ccc(-c4ccccn4)nc3)nc(-c3ccc(N)nc3)nc21
CCn1cnc2c(NCc3ccc(-c4ccccn4)nc3)nc(-c3cnc(N)nc3)nc21
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
O=C1NCCOCCN2CC[C@H](C2)Nc2ncc(C(F)(F)F)c(n2)-c2c[nH]c3cc1ccc23
O=C1NCCCCN2CC[C@H](C2)Nc2ncc(C(F)(F)F)c(n2)-c2c[nH]c3cc1ccc23
CP(C)(=O)c1c2ccc3c(c[nH]c13)-c1nc(ncc1C(F)(F)F)N[C@H]1CC[C@@H](C1)NCCCCNC2=O
CP(C)(=O)c1c2ccc3c(c[nH]c13)-c1nc(ncc1C(F)(F)F)N[C@H]1CC[C@@H](C1)NCCOCCNC2=O
CN1CC(F)(F)CCN(C)[C@@H]2CC[C@H](C2)Nc2ncc(C(F)(F)F)c(n2)-c2c[nH]c3c(P(C)(C)=O)c(ccc23)C1=O
CN1CC(F)CCN(C)[C@@H]2CC[C@H](C2)Nc2ncc(C(F)(F)F)c(n2)-c2c[nH]c3c(P(C)(C)=O)c(ccc23)C1=O
Cn1cc(ccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(17.35,-24.38,;18.11,-25.71,;19.66,-25.71,;20.43,-27.05,;19.66,-28.38,;18.11,-28.38,;17.35,-27.05,;15.8,-27.05,;21.97,-27.05,;22.74,-28.38,;24.28,-28.38,;25.05,-27.05,;24.28,-25.71,;22.74,-25.71,;26.6,-27.05,;27.37,-25.71,;26.6,-24.38,;27.37,-23.04,;28.91,-23.04,;29.68,-24.38,;28.91,-25.71,;29.68,-21.71,;31.22,-21.71,;31.99,-20.37,;33.54,-20.37,;34.3,-21.71,;33.54,-23.04,;31.99,-23.04,;35.85,-21.71,;37.39,-21.71,;27.37,-28.38,;26.6,-29.71,;28.91,-28.38,;29.68,-29.71,;31.22,-29.71,;31.99,-28.38,;33.54,-28.38,;34.3,-29.71,;33.54,-31.05,;31.99,-31.05,)|