2954 SMILES Strings for Tyrosine-protein kinase ABL1

Compound Name
SMILES String
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
COc1cc(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1cc(Nc2c(cnc3cc(OCCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1cc(Nc2c(cnc3cc(OCCCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1cc(Nc2c(cnc3cc(OC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1cc(Nc2c(cnc3cc(OCC4CCCCN4C)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1cc(Nc2c(cnc3cc(OCC4CCCN(C)C4)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1cc2c(Nc3ccc(Cl)cc3Cl)c(cnc2cc1OCC1CCN(C)CC1)C#N
COc1cc2c(Nc3cc(OC)c(OC)c(OC)c3)c(cnc2cc1OCC1CCN(C)CC1)C#N
COc1ccc(Cl)c(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c1
COc1ccc(C)c(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c1
COc1cc2c(Nc3ccc(C)cc3C)c(cnc2cc1OCC1CCN(C)CC1)C#N
COc1cc(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c(C)cc1C
CCOc1cc(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
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
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
Cc1cc(C)n2B(F)[N+]3=C(CCC(=O)NCCCCC(=O)NCCOc4ccc(Nc5ncnc(n5)-c5cccnc5Nc5cc(NC(=O)c6cccc(c6)C(F)(F)F)ccc5C)cc4)C=CC3=Cc12 |c:8,70,73|
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1ncnc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)n1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1cc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)ncn1
COc1ccccc1-c1c[nH]c2ncc(cc12)-c1cncc(c1)C(=O)N(C)C
COc1ccccc1-c1c[nH]c2ncc(cc12)-c1cccc(c1)C(=O)N(C)C
COc1ccccc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(C)=O)c1
Cc1ccc2[nH]ncc2c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12
CP(C)(=O)c1ccc(Nc2ncnc3n(\C=C\c4cccc5[nH]ncc45)cnc23)cc1
Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12
CP(C)(=O)c1ccc(Nc2ncnc3n(\C=C\c4cccc5[nH]ccc45)cnc23)cc1
Cc1nc(cc(n1)N1CCN(CCO)CC1)N=C1NCC(S1)C(=O)Nc1c(C)cccc1Cl |w:16.17|
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(\C=C\n3cnc4c(NC5CC5)ncnc34)c2)cc(c1)C(F)(F)F
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(\C=C\n3cnc4cncnc34)c2)cc(c1)C(F)(F)F
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Ic1ccc(cc1)C(=O)Nc1nnc(CCc2ccccc2)s1
Clc1cccc(CSc2nnc(NC(=O)c3ccccc3Cl)s2)c1
Clc1ccc(cc1)C(=O)Nc1nnc(SCc2cccc(Cl)c2)s1
Fc1ccc(cc1)C(=O)Nc1nnc(SCc2cccc(Cl)c2)s1
Fc1cccc(CSc2nnc(NC(=O)c3ccccc3Cl)s2)c1
Fc1cccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1
Fc1ccc(cc1)C(=O)Nc1nnc(SCc2cccc(F)c2)s1
Clc1ccccc1C(=O)Nc1nnc(SCc2ccc(Br)cc2)s1
Clc1ccc(cc1)C(=O)Nc1nnc(SCc2ccc(Br)cc2)s1
Fc1ccc(cc1)C(=O)Nc1nnc(SCc2ccc(Br)cc2)s1
Fc1ccc(CSc2nnc(NC(=O)c3ccccc3Cl)s2)cc1
Fc1ccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1
Fc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1
COc1ccc(CSc2nnc(NC(=O)c3ccccc3Cl)s2)cc1
COc1ccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1
COc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1
[O-][N+](=O)c1ccc(CSc2nnc(NC(=O)c3ccccc3Cl)s2)cc1
[O-][N+](=O)c1ccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1
[O-][N+](=O)c1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1
Clc1ccccc1C(=O)Nc1nnc(SCc2ccccc2)s1
Clc1ccc(cc1)C(=O)Nc1nnc(SCc2ccccc2)s1
Fc1ccc(cc1)C(=O)Nc1nnc(SCc2ccccc2)s1
CC(=O)Nc1cc2n(Cc3ccc(Br)cc3)c(C)nc2nc1C
CCOC(=O)c1c(C)n(C(=O)c2ccco2)c(=O)n1C(=O)c1ccco1
O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
CCOC(=O)CN1C2NC(=O)NC2NC1=O
CCC(C)(C)n1nnnc1C(N1CCCc2ccccc12)c1cccnc1
N#CC12CCCCC1CC1CCCCC1(C#N)N2Cc1cccnc1
CCCCC(=O)C1CCN(Cc2ccccc2)CC1
CN1CCN(CC1)C(=O)CSc1nc(ccc1C#N)-c1ccncc1
Cc1nnc(SCc2nc3ccccc3[nH]2)s1
OCCN1CCN(CC1)c1ncnc2c1sc1nc(N3CCOCC3)c3CCCc3c21
Clc1cccc(NC(=O)CC2SCCNC2=O)c1
COc1cc(ccc1OC(C)=O)C(=O)Nc1ccc(O)cc1C(O)=O
Clc1ccc(cc1)C(=O)N1CCN(CC1)c1ccccc1NC(=O)c1cccnc1
COC(=O)c1ccc(COC(=O)c2ccc(cc2)-n2cnnn2)o1
[H]C12CC3([H])CC(O)(C1)CC(C2)(C3)C(=O)OCc1ccc(o1)C(=O)OC |TLB:5:3:11:6.9.8,THB:7:6:11:3.12.2,5:6:11:3.12.2,2:3:9:1.11.8|
Cc1oc2nc(SCCCC(=O)NCCO)nc(N)c2c1C
COC(=O)CCSCc1cn2cc(Cl)ccc2n1
OC1(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O
CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1Cn1ccnc1
CCc1nnc(NC(=O)CCc2nc(no2)C2=CCN(C)CC2)s1 |t:17|
CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc2ccccc2[nH]1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC=C1C(=O)CNC1=O |w:14.16,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
COc1ccccc1OCc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccco1
CCOC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ncnc2c1sc1cccc(F)c21
Cn1ncnc2c1nc(=O)n(C)c2=O
COC(=O)c1ccc(CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)o1
COc1ccc(CCNc2cc(=O)[nH]c(N)n2)cc1
CC1NC(=O)NC1CCCCCC(=O)Nc1ccc(C)cc1
CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CN1CCOCC1
OC(=O)c1cc(O)ccc1NC(=O)c1cccc(Br)c1
CC1(C)Cc2nc3sc4c([nH]cnc4=O)c3cc2CS1
CCC(N1C(=O)c2ccccc2C1=O)c1nc2ccccc2c(=O)n1CCCn1ccnc1
Clc1cc(Cl)cc(NC(=O)CC2SCCNC2=O)c1
CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(C)cc(=O)[nH]1
CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1Cn1cnc2ccccc12
COC(=O)c1ccc(CSc2nnc(o2)-c2ccncc2)o1
COc1ccc2nc(NC(=O)CCc3nc(no3)C3=CCN(C)CC3)sc2c1 |t:19|
COc1ccc(CCNC(=O)CSc2nc(C)nc3n(C)c(=O)n(C)c(=O)c23)cc1OC
COC(=O)c1ccc(CSc2nnc(-c3c[nH]c4ccccc34)n2C)o1
CCCCSCc1[nH]c(=O)[nH]c1C(=O)CCCCC(=O)OCC
CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(C)cc(C)n1
Cn1c2nc(-n3ccnc3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O
CCSCCOC(=O)C1=C(C)N=C2CCCC(=O)C2C1c1coc2ccccc2c1=O |c:8,t:11|
COC(=O)c1c(C)nc(C)c2c1c1ccccc1oc2=O
CCCCN1C2NC(=O)NC2NC1=O
Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
CCOCc1nnc(NC(=O)c2c(OC)cccc2OC)s1
CCCCN1C2NC(=O)NC2N(C)C1=O
O=C(NN=c1c(=O)c2ccccc2c1=O)c1ccccc1 |(12.72,1.32,;11.95,-.02,;10.41,-.02,;9.64,1.32,;8.1,1.32,;7.2,.08,;7.68,-1.39,;5.75,.55,;4.41,-.22,;3.08,.55,;3.08,2.09,;4.41,2.86,;5.75,2.09,;7.2,2.56,;7.68,4.02,;12.72,-1.35,;11.95,-2.69,;12.72,-4.02,;14.26,-4.02,;15.03,-2.69,;14.26,-1.35,)|
CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSCCO
COc1cc2c(cn(C)c(=O)c2cc1OC)C(=O)N1CCN(CC1)c1cccc(Cl)c1
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2
COc1cccc(CSc2nnc(CSc3nc4nc(C)cc(C)n4n3)s2)c1
COCCNC(=O)c1cc2c3ccccc3n(C)c2s1
CCOc1c(Cl)cc(cc1Cl)C(=O)Nc1ccccc1C(O)=O
CCCn1c2ccccc2c2nnc(SCc3[nH]c(=O)[nH]c3C(=O)CCCCC(=O)OCC)nc12
Cc1[nH]c(=O)[nH]c1C(=O)CCCCC(O)=O
CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nnc2c3ccccc3n(CC=C)c2n1
CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nnc2c3ccccc3n(C(C)C)c2n1
CC(=O)C(C(C)=O)C1(O)C(=O)c2ccccc2C1=O
Clc1cccc(c1)N1C(N2CCCN2C1=O)c1ccccc1
Clc1ccc(cc1)C1N2CCCN2C(=O)N1c1cccc(Cl)c1
COc1ccc(\C=N\NC(=O)Cn2c(Cc3ccc(OC)c(OC)c3)nc3ccccc23)cc1
Cc1ccc(c(C)c1)-n1c(SCC(=O)N2Cc3ccccc3CC2C(O)=O)nnc1-c1cccnc1 |(3.08,-.34,;4.54,-.82,;4.86,-2.32,;6.33,-2.8,;7.47,-1.77,;7.15,-.26,;8.3,.77,;5.69,.21,;8.94,-2.24,;10.18,-1.34,;10.18,.2,;11.52,.97,;11.52,2.51,;10.18,3.28,;12.85,3.28,;14.19,2.51,;15.52,3.28,;16.9,2.46,;18.29,3.25,;18.29,4.85,;16.9,5.64,;15.52,4.82,;14.19,5.59,;12.85,4.82,;11.52,5.59,;11.52,7.13,;10.18,4.82,;11.43,-2.24,;10.95,-3.71,;9.41,-3.71,;8.51,-4.96,;9.14,-6.36,;8.23,-7.61,;6.7,-7.45,;6.07,-6.04,;6.98,-4.79,)|
CC(=O)Nc1ccc(NC(=O)C2CCN(CC2)C(=O)c2cccs2)cc1
CC1NC(=O)NC1CCCCCC(=O)Nc1ccc(F)cc1
Fc1ccc(NC(=O)CC2SCCNC2=O)cc1Cl
CC1NC(=O)NC1CCCCCC(=O)Nc1c(C)cccc1C
CCc1cccc(NC(=O)CCCCCC2NC(=O)NC2C)c1
CCOC(=O)c1ccc(NC(=O)COc2ccccc2CNC2CCCC2)cc1
COc1ccccc1CN1C[C@@H]2C[C@H](N3CCC[C@@]23C1=O)c1ccc2nsnc2c1
OC(=O)c1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)cc1
CCOC(=O)c1ccc(NC(=O)COc2ccccc2CNCCO)cc1
OC(CN1C(=O)CNC1=O)Cn1c2ccccc2c2ccccc12
CCOC(=O)c1ccc(NC(=O)COc2ccccc2CNCCc2ccccc2)cc1
Cc1ccccc1CN1C[C@@H]2C[C@H](N3CCC[C@@]23C1=O)c1ccc2nsnc2c1
[H]C12CCC([H])(CC(C1)NC(=O)Nc1ccc(cc1)C(=O)OCC)N2
CCOC(=O)N1CCN(CC1)C(=O)Nc1ccc(NC(=O)N2CCN(CC2)C(=O)OCC)cc1
CC(=O)OC1CC2(C)C(CCC2C(C)=O)C2CCC3CC4(CC(=O)C3(C)C12)OCCO4
CCn1nc(\C=C\c2ccccc2)nc2c1nc(=O)n(C)c2=O
Cn1c2nc(NCc3ccco3)n(Cc3ccccc3Cl)c2c(=O)[nH]c1=O
CC1NC(=O)NC1CCCCCC(=O)Nc1ccc(F)c(Cl)c1
CC1NC(=O)NC1CCCCCC(=O)Nc1cccc(F)c1C
CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1C[n+]1ccc(C)cc1
COc1ccccc1CNC(=O)CSc1nnc2ccc(nn12)-c1cccnc1
COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2C)o1
CN1CCN(CC1)C(c1ccccn1)c1cc(Cl)c2cccnc2c1O
Oc1ccc(C=NN2CCOCC2)c(O)c1O |w:6.6|
Cc1ccc(cc1S(=O)(=O)NCC1CCCO1)-c1nn2c(nnc2c2ccccc12)-c1ccco1
OCCC(=O)c1ccc(O)cc1
OCC1OC(OC(CCc2ccccc2)CC(O)=O)C(O)C(O)C1O
COc1cc2c(ccc3cc(OC)c(OC)c(O)c23)cc1O
COc1cc(\C=N\NC(=O)CSc2ccccn2)ccc1OC(C)C
CCCOc1ccc(\C=N\NC(=O)CSc2ccccn2)cc1OC
Cc1nc(Nc2cccc(O)c2)c2c3CCCc3sc2n1
CC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:3|
CCOC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:5|
Cc1ccc(cc1)C1N2CCCN2C(=O)N1c1cccc(Cl)c1
Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
COC(=O)Nc1csc2CCCCC(=O)Nc12
CCCCSc1cc(=O)[nH]c(N)n1
OC1CC(CC(O)C1OC(=O)\C=C\c1ccc(O)c(O)c1)(OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |(6.57,-.33,;7.91,.44,;7.91,1.98,;9.24,2.75,;10.58,1.98,;10.58,.44,;11.91,-.33,;9.24,-.33,;9.24,-1.87,;7.91,-2.64,;6.57,-1.87,;7.91,-4.18,;6.57,-4.95,;6.57,-6.49,;7.91,-7.26,;7.91,-8.8,;6.57,-9.57,;6.57,-11.11,;5.24,-8.8,;3.91,-9.57,;5.24,-7.26,;10.01,4.09,;11.55,4.09,;12.32,2.75,;12.32,5.42,;13.86,5.42,;14.63,6.76,;13.86,8.09,;14.63,9.42,;16.17,9.42,;16.94,10.76,;16.94,8.09,;18.48,8.09,;16.17,6.76,;8.47,4.09,;6.93,4.09,;9.24,5.42,)|
CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1
CC1(CC(=NO1)c1ccc(F)cc1)c1nnc(o1)-c1ccncc1 |c:3|
COc1cc(O)c(C(C)=O)c(CC(O)=O)c1
COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(O)=O
OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O
OC[C@@H]1CC[C@@H](O1)n1ccc(NC(=O)c2ccccc2)nc1=O
CCOC(=O)C1CCCN(C1)C(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12
C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O
[H][C@@]12CC(=C[C@H](C3C1=C([C@H](C)n1n2c(=O)n(-c2ccccc2)c1=O)C(=O)C3(CC)CC)C(=O)OC)C(=O)OC |c:3,8|
COC(=O)c1cccc(NC(=O)c2ccc[n+]([O-])c2)c1
Cc1nc(cc(n1)N1CCOCC1)N=NCc1ccc(O)cc1O |w:13.14|
CCN(CC)C(=O)CSc1nc(Cc2ccccc2)nc2ccccc12
O=c1[nH]cnc2Oc3nc[nH]c(=O)c3C(c3ccccc3)c12
COc1ccc(cc1)C1c2c(Oc3nc[nH]c(=O)c13)nc[nH]c2=O
Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1O
O=c1nccc(N=NCc2ccccc2)[nH]1 |w:6.5|
Oc1ccc(C=NN2CCCCC2)c(O)c1O |w:6.6|
CCOc1ccc2nc(sc2c1)N(CCN(C)C)C(=O)c1cc2ccccc2cc1OC
CC(C)n1cc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)cn1
CC(C)n1cc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cscn2)cn1
CCOc1ccc(CCNC(=O)CN2c3cc(C)ccc3Oc3ncccc3C2=O)cc1OCC
CCOc1ccccc1N(C(C(=O)NCc1ccccc1)c1ccc(O)cc1)C(=O)c1snc(C(N)=O)c1N
CC(C)c1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)cc1
CCOc1ccccc1N(C(C(=O)NCC1CCCO1)c1ccc2ncccc2c1)C(=O)c1snc(C(N)=O)c1N
CCOc1ccc(CCNC(=O)CN2c3cc(Cl)ccc3Oc3ncccc3C2=O)cc1
CSc1ccccc1OCc1cc(no1)C(=O)N1CCNC(=O)C1
COc1ccccc1N(C(C(=O)NCc1ccccc1)c1ccc(O)cc1)C(=O)c1snc(C(N)=O)c1N
CC1CC(C)CN(C1)C(=O)c1ccc(C)c(NC2=NC3CS(=O)(=O)CC3S2)c1 |t:18|
COc1ccc(CCNC(=O)c2ccc(NC3=NC4CS(=O)(=O)CC4S3)cc2)cc1OC |t:16|
CN(Cc1cnccn1)C(=O)C1CCC(=O)N(CCc2ccccc2)C1
COc1ccc(OC)c(NC(=O)Cc2ccc(NC3=NC4CS(=O)(=O)CC4S3)cc2)c1 |t:18|
CCCc1ncc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cscn2)cn1
CC12CCC(=O)N1C(CS2)C(=O)Nc1nnc(SCc2ccccc2F)s1
COc1ccc(CC(=O)Oc2ccc(C)cc2Br)cc1OC
CC12CCC(=O)N1C(CS2)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Br)cc1Cl
COc1ccc2oc(C(=O)NCC(N(C)C)c3ccco3)c(C)c2c1
CN(C)C(CNC(=O)c1oc2c(Cl)cccc2c1C)c1ccco1
CCN(CC)C(=O)c1ccc(NC(=O)c2cc(ccc2OC)S(=O)(=O)N2CCCCCC2)cc1
CN(Cc1c(F)cccc1Cl)C(=O)CNC(=O)c1ccc2OCOc2c1
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccccc1SCc1c(C)noc1C
O=C(NCC(N1CCCC1)c1ccco1)c1ccccc1Sc1ccccc1C#N
Cc1ccc(c(C)c1)-n1c(SCc2cc(=O)n3ccsc3n2)nnc1-c1cccnc1 |(7.42,4.25,;7.74,2.75,;6.6,1.72,;6.92,.21,;8.39,-.27,;9.53,.76,;10.99,.29,;9.21,2.27,;8.71,-1.77,;10.11,-2.4,;11.45,-1.63,;12.78,-2.4,;14.11,-1.63,;14.11,-.09,;15.45,.68,;15.45,2.22,;16.78,-.09,;18.24,.38,;19.14,-.86,;18.24,-2.1,;16.78,-1.63,;15.45,-2.4,;9.95,-3.93,;8.45,-4.25,;7.68,-2.92,;6.14,-2.76,;5.24,-4,;3.71,-3.84,;3.08,-2.44,;3.99,-1.19,;5.52,-1.35,)|
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc(nc2ccccc12)-c1ccncc1
COC(=O)c1ccc(COC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(C)c(C)c2)o1
COc1ccc(NC(=O)CN(C)C(=O)Cc2ccc(s2)S(=O)(=O)N2CCOCC2)cc1
Cc1c(oc2ccc(Br)cc12)C(=O)NCCN1CCOCC1
Cc1cccc(c1)N(Cc1ccccc1)C(=O)Cc1ccc(s1)S(=O)(=O)N1CCOCC1
CC(C)n1nccc1NC(=O)C(C)OC(=O)c1ccccc1NCCO
CCCCc1nnc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)s1
COCCN(CCOC)C(=O)CSc1ccc(cn1)S(=O)(=O)N1CCN(C)CC1
O=c1cc(OCc2ccccc2)cc[nH]1
Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)C(=O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12
CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N1CCC1
COc1ccc(cc1C(=O)Nc1ccc(cc1)C(=O)N(C)C)S(=O)(=O)N1CCCCCC1
CCCn1nc(C(=O)N(C)CC(=O)Nc2ccc(OCC)c(OCC)c2)c2ccccc2c1=O
CN(C1CC1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(CC3)C(=O)C3CC3)cc2)cc1
CN(C1CC1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(CC3)C(=O)c3ccccc3)cc2)cc1
COc1cc(cc(OC)c1OC)C(=O)OCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
CCOC(=O)CCCCCC(=O)Nc1ccc2O[C@@H](CN(C)Cc3ccc4OCOc4c3)[C@H](C)CN([C@H](C)CO)C(=O)Cc2c1
C[C@]12CCC3C(C1CCC2=O)C(=O)C[C@H]1C[C@@H](O)CC[C@]31C
Cc1cc(ccc1Br)S(=O)(=O)N1CCN(CC1)C(=O)CCC(=O)N1CCOCC1
O=c1cc(SCc2ccccc2)nc[nH]1
CC[C@@]12[C@H](C[C@H](CC(=O)NCCCN(C)C)C(=O)N1CCc1c2[nH]c2ccc(Cl)cc12)C(=O)N1CCN(CC1)C(=O)c1ccco1
COc1cc(OC)c(cc1OC)-c1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12 |(10.68,5.5,;9.35,4.73,;9.35,3.19,;10.68,2.42,;10.68,.88,;12.01,.11,;13.35,.88,;9.35,.11,;8.01,.88,;8.01,2.42,;6.68,3.19,;6.68,4.73,;9.35,-1.43,;10.68,-2.2,;12.06,-1.38,;13.45,-2.17,;14.78,-1.39,;13.45,-3.77,;14.78,-4.55,;12.06,-4.56,;10.68,-3.74,;9.35,-4.51,;8.01,-3.74,;6.63,-4.56,;5.24,-3.77,;3.91,-4.55,;5.24,-2.17,;3.91,-1.39,;6.63,-1.38,;8.01,-2.2,)|
CCOC(=O)N1CCC(CC1)NC(=O)CCc1nc(no1)C1=CCN(C)CC1 |t:23|
[H]C12CC3([H])CC([H])(C1)CC(CNC(=O)CC1C[C@H](C(=O)N4CCN(CC4)C(=O)C4CC4)[C@]4(CC)N(CCc5c4[nH]c4ccc(OC)cc54)C1=O)(C2)C3 |TLB:5:3:51:6.9.8,THB:2:3:9:1.51.8,5:6:51:3.52.2|
[H]C12CC3([H])CC([H])(C1)CC(CNC(=O)CC1C[C@H](C(=O)N4CCN(CC4)C(=O)c4ccco4)[C@]4(CC)N(CCc5c4[nH]c4ccc(OC)cc54)C1=O)(C2)C3 |TLB:5:3:53:6.9.8,THB:2:3:9:1.53.8,2:1:9:3.54.5|
CC[C@@]12[C@H](CC(CC(=O)NCc3cccc(c3)C(F)(F)F)C(=O)N1CCc1c2[nH]c2ccc(OC)cc12)C(=O)N1CCN(CC1)C(=O)c1ccco1
CC[C@@]12[C@H](CC(CC(=O)NCCCN(C)C)C(=O)N1CCc1c2[nH]c2ccc(OC)cc12)C(=O)N1CCN(CC1)C(=O)c1ccco1
CN(C)CCNc1ncnc2c1sc1nc(N3CCOCC3)c3CSC(C)(C)Cc3c21
Clc1ccc(cc1)S(=O)(=O)Nc1cc2nc3ccccc3nc2n1Cc1ccccc1
On1ccc(=N)c(CCc2ccccc2)c1
CN(C1CC1)C(=O)c1ccc(NC(=O)Cc2cccc(NC(=O)C3CCN(CC3)C(=O)C3CCCC3)c2)cc1
CN(C1CCCC1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(CC3)C(=O)C3CCCC3)cc2)cc1
CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(CC3)C(=O)C3CCCC3)cc2)cc1
CN(CCc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(CC3)C(=O)C3CCCC3)cc2)cc1
O=C(Cc1ccc(NC(=O)C2CCN(CC2)C(=O)C2CCCCC2)cc1)Nc1ccc(cc1)C(=O)N1CCOCC1
CN(CCc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(CC3)C(=O)C3CCCCC3)cc2)cc1
O=C(Cc1ccc(NC(=O)C2CCN(CC2)C(=O)C2CCCC2)cc1)Nc1ccc(cc1)C(=O)N1CCOCC1
CN(C1CC1)C(=O)c1ccc(NC(=O)Cc2cccc(NC(=O)C3CCN(CC3)C(=O)C3CCCCC3)c2)cc1
O=C(Cc1ccc(NC(=O)C2CCN(CC2)C(=O)C2CCC2)cc1)Nc1ccc(cc1)C(=O)N1CCOCC1
CN(CCc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(CC3)C(=O)C3CCC3)cc2)cc1
O=C(Cc1ccc(NC(=O)C2CCN(CC2)C(=O)C2CCCC2)cc1)Nc1cccc(c1)C(=O)N1CCCCC1
O=C(Cc1ccc(NC(=O)C2CCN(CC2)C(=O)c2ccccc2)cc1)Nc1ccc(cc1)C(=O)N1CCOCC1
CN(C1CC1)C(=O)c1ccc(NC(=O)Cc2cccc(NC(=O)C3CCN(CC3)C(=O)c3ccccc3)c2)cc1
CN(CCc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(CC3)C(=O)c3ccccc3)cc2)cc1
Nc1nc(NC2CCCC2)cc(=O)[nH]1
Cn1c(O)csc1=NN=C1SC(=C)C(=O)N1CC=C |w:7.8,9.10|
CC(=C)CN1C(SC(=C)C1=O)=NN=c1scc(O)n1C |w:12.12,5.5|
CN(C)Cc1sc(=NN=c2scc(O)n2C)n(CC(C)=C)c1O |w:8.7|
CC(=C)Cn1c(O)csc1=NN=c1scc(O)n1C |w:11.11|
Cc1sc(=NN=c2scc(O)n2C)n(CC=C)c1O |w:5.4|
CC(=C)Cn1c(O)c(C)sc1=NN=c1scc(O)n1C |w:12.12|
CC(=C)Cn1c(O)c(O)sc1=NN=c1scc(O)n1C |w:12.12|
CC(=C)Cn1c(O)c(CO)sc1=NN=c1scc(O)n1C |w:13.13|
Cn1c(O)csc1=NN=c1sc(CC(O)=O)c(O)n1CC=C |w:7.8|
CC(=C)Cn1c(O)c(OS(O)=O)sc1=NN=c1scc(O)n1C |w:15.15|
c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccc2nc(Nc3ccc(OCCN)cc3)ncc2c1
CN(C)CCCNC(=O)c1cc2cc(NC(=O)c3ccccc3Br)cnc2[nH]1
COC(=O)c1cc2cc(NC(=O)c3ccccc3Br)cnc2[nH]1
Brc1ccccc1C(=O)Nc1cnc2[nH]c(Cc3ccc[nH]3)cc2c1
COC(=O)c1cc2cc(NC(=O)c3c(F)cccc3OC)cnc2[nH]1
Cc1n(C)nc2cc(Nc3ccnc(Nc4ccc(cc4)S(N)(=O)=O)n3)ccc12
Cc1n(C)nc2cc(Nc3ccnc(Nc4ccc(cc4)S(=O)(=O)Nc4ncccn4)n3)ccc12
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)n1
Cc1n(C)nc2cc(Nc3ccnc(Nc4ccc(cc4)S(=O)(=O)Nc4nccc(C)n4)n3)ccc12
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nccc(C)n2)n1
Cc1n(C)nc2cc(Nc3ccnc(Nc4ccc(cc4)S(=O)(=O)Nc4nc(C)cc(C)n4)n3)ccc12
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nc(C)cc(C)n2)n1
Cc1cc(NS(=O)(=O)c2ccc(Nc3nccc(Nc4ccc5c(C)n(C)nc5c4)n3)cc2)no1
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2cc(C)on2)n1
Cc1n(C)nc2cc(Nc3ccnc(Nc4ccc(cc4)S(=O)(=O)NC(N)=N)n3)ccc12
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(cc2)S(=O)(=O)NC(N)=N)n1
O=C(Nc1cc2ccc(cc2cn1)N1CCCCC1)C1CC1
Clc1ccccc1-c1ccc2cc(Nc3ncccn3)ncc2c1
Clc1ccccc1-c1ccc2cc(Nc3ccccn3)ncc2c1
CSCNc1cc2ccc(cc2cn1)-c1cc(F)ccc1Cl
CNc1cc2ccc(cc2cn1)-c1cc(F)ccc1Cl
COc1ccc(Cl)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(F)cc1-c1ccc2cc(N)ncc2c1
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCC3)ncc2c1
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCCC3)ncc2c1
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCCCC3)ncc2c1
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)c3ccccc3)ncc2c1
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)c3ccc(F)cc3)ncc2c1
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3(F)CC3)ncc2c1
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3(C)CC3)ncc2c1
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CC3F)ncc2c1
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CC3(F)F)ncc2c1
Cc1cnc(C)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Nc1ccc(cn1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
O=C(Nc1cc2ccc(cc2cn1)-c1cnccc1C#N)C1CC1
Fc1cnc(C#N)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1c(Cl)cccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1cc(F)ccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1cc(Cl)ccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
COc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
CC(C)Oc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cn1cc(cn1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1n[nH]c(C)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Oc1ccc(Cl)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1cc(F)c(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(F)cc1-c1ccc2cc(N=C3NC(C)(C)CO3)ncc2c1 |w:14.14|
O=C(Nc1cc2ccc(cc2cn1)N1CCCC1)C1CC1
O=C(Nc1cc2ccc(cc2cn1)C1CCCCC1)C1CC1
CN1CCN(CC1)c1ccc2cc(NC(=O)C3CC3)ncc2c1
O=C(Nc1cc2ccc(cc2cn1)C1CCCC1)C1CC1
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCOCC3)ncc2c1
CN1CCC(CC1)C(=O)Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)c3ccncc3)ncc2c1
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)c3ccccc3F)ncc2c1
COc1ccc(cc1)C(=O)Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C
Cc1cccnc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ncccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
O=C(Nc1cc2ccc(cc2cn1)-c1ccc2[nH]ccc2c1)C1CC1
OC1CCN(CC1)c1ccc2cc(NC(=O)C3CC3)ncc2c1
O=C(Nc1cc2ccc(cc2cn1)N1CCNCC1)C1CC1
Cn1c(cccc1=O)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
CC(=O)Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)CC(F)(F)F)ncc2c1
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C(C)(C)C)ncc2c1
COCC(=O)Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C
Cc1ccc(cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)C#N
COc1cccc(C#N)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
O=C(Nc1cc2ccc(cc2cn1)-c1ccccn1)C1CC1
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1 |r|
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3C[C@H]3F)ncc2c1 |r|
CN(C)CC(=O)Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C
CCn1nccc1C(=O)Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)c3cccc(F)c3)ncc2c1
COc1ccccc1C(=O)Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C
COc1cccc(c1)C(=O)Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C
O=C(Nc1cc2ccc(cc2cn1)-c1cccc2[nH]ccc12)C1CC1
Fc1cc(C#N)c(cc1F)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(O)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
CCC(=O)Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C
CC(C)C(=O)Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C
O=C(Nc1cc2ccc(cc2cn1)-c1cncnc1)C1CC1
Cc1cc(C)c(cn1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1nc(cs1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
O=C(Nc1cc2ccc(cc2cn1)-c1cc[nH]n1)C1CC1
Cc1ncc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cn1ccc(=O)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C(F)(F)F)ncc2c1
Fc1ccc(C#N)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Clc1ccc(C#N)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Fc1ccc(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c(c1)C#N
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C(F)F)ncc2c1
Cc1ccc(F)cc1-c1ccc2cc(NS(C)(=O)=O)ncc2c1
Cc1ccc(F)cc1-c1ccc2cc(NS(=O)(=O)C3CC3)ncc2c1
CNC(=O)Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C
O=C(Nc1cc2ccc(Nc3ccccc3)cc2cn1)C1CC1
Cc1ncncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
COc1ccc(C)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)C(F)(F)F
CN(C)c1ccc(C)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1cnccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
CN(C)C(=O)Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C
Cc1ccnc(C)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ncnc(C)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
O=C(Nc1cc2ccc(OC3CCCCC3)cc2cn1)C1CC1
O=C(Nc1cc2ccc(Sc3ccccc3)cc2cn1)C1CC1
Cn1nccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Fc1cncc(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3(O)CC3)ncc2c1
O=C(Nc1cc2ccc(cc2cn1)-c1ccc[nH]1)C1CC1
Oc1ccc(C#N)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1c(O)cccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
CC(Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C)C(F)(F)F
Cc1ccc(F)cc1-c1ccc2cc(NCC3CC3)ncc2c1
CC(C)Oc1ccc2cc(NC(=O)C3CC3)ncc2c1
FC(F)Oc1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(F)cc1-c1ccc2c(Cl)c(N)ncc2c1
Cc1cc(F)c(O)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(CO)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Oc1cc(ccc1F)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)C(N)=O
CCNC(=O)Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C
Cc1ccc(F)cc1-c1ccc2c(Cl)c(NC(=O)C3CC3)ncc2c1
Cc1ccncc1-c1ccc2cc(NC(=O)C3CC3F)ncc2c1
Cc1c[nH]nc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(F)cc1-c1ccc2c(Br)c(NC(=O)C3CC3)ncc2c1
O=C(Nc1cc2ccc(Oc3ccccc3)cc2cn1)C1CC1
Clc1ccccc1Oc1ccc2cc(NC(=O)C3CC3)ncc2c1
Fc1cccc(Oc2ccc3cc(NC(=O)C4CC4)ncc3c2)c1
Clc1cccc(Oc2ccc3cc(NC(=O)C4CC4)ncc3c2)c1
Fc1ccc(Oc2ccc3cc(NC(=O)C4CC4)ncc3c2)cc1
O=C(Nc1cc2ccc(Oc3cccnc3)cc2cn1)C1CC1
COCCNC(=O)Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCNCC3)ncc2c1
CN1CCC(C1)C(=O)Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C
CCN1CCC(CC1)C(=O)Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C
CN1CCC(CC1)C(=O)Nc1cc2ccc(cc2cn1)-c1cnccc1C
Cc1ccc(F)cc1-c1ccc2c(F)c(NC(=O)C3CC3)ncc2c1
CCNC(=O)Nc1ncc2cc(ccc2c1Cl)-c1cc(F)ccc1C
CCNC(=O)Nc1ncc2cc(ccc2c1F)-c1cc(F)ccc1C
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)CC3CC3)ncc2c1
Cc1ccc(F)cc1-c1ccc2cc(Nc3cc(CO)ccn3)ncc2c1
O=C(Nc1cc2ccc(cc2cn1)-c1cnccn1)C1CC1
Cc1cnc(cn1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
O=C(Nc1cc2ccc(Oc3cncnc3)cc2cn1)C1CC1
CC(C)NC(=O)Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)NC3COC3)ncc2c1
Cc1ccc(F)cc1-c1ccc2cc(Nc3cccc(=O)[nH]3)ncc2c1
Cc1ncc(cc1F)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)C(C)(C)O
COc1cccc(Nc2cc3ccc(cc3cn2)-c2cc(F)ccc2C)n1
CN1CCN(CC1)C(=O)Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C
Cc1ccc(C)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1cc(ccn1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cn1ccc(Oc2ccc3cc(NC(=O)C4CC4)ncc3c2)n1
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)NC3CCOCC3)ncc2c1
O=C(Nc1cc2ccc(cc2cn1)-c1cccc2[nH]ncc12)C1CC1
O=C(Nc1cc2ccc(cc2cn1)-c1ccc2cn[nH]c2c1)C1CC1
O=C(Nc1cc2ccc(cc2cn1)-c1ccnnc1)C1CC1
Cc1nccnc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
CC(C)Nc1ccc2cc(NC(=O)C3CC3)ncc2c1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc3cc(NC(=O)C4CC4)ncc3c2)CC1
CN1CCN(Cc2ccc(cc2Cl)C(=O)Nc2ccc(C)c(c2)-c2ccc3cc(NC(=O)C4CC4)ncc3c2)CC1
CC(C)COc1ccc2cc(NC(=O)C3CC3)ncc2c1
CC(C)OC(=O)Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C
Nc1cncc(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Nc1cc(ccn1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
[#6]\[#6](-[#6])=[#6]\c1ccc2cc(-[#7]-[#6](=O)-[#6]-3-[#6]-[#6]-3)ncc2c1
Cc1cc(Cl)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Clc1ccncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
CC(C)Cc1ccc2cc(NC(=O)C3CC3)ncc2c1
Cn1ncc2c(cccc12)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
O=C(Nc1cc2ccc(cc2cn1)-c1cccc2NC(=O)Cc12)C1CC1
Cc1c(F)cncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CC3c3ccccc3)ncc2c1
Cc1cc(CO)cc(Nc2cc3ccc(cc3cn2)-c2cc(F)ccc2C)n1
Cc1cc(cc(Nc2cc3ccc(cc3cn2)-c2cc(F)ccc2C)n1)C(C)(C)O
Cc1cc(N)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccncc1-c1ccc2cc(Nc3cc(CO)ccn3)ncc2c1
Cc1ncc(CO)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
COc1ccc2cc(NC(=O)C3CC3)ncc2c1
C[C@@H](CO)Oc1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
CC(C)(CO)Oc1ccc2cc(NC(=O)C3CC3)ncc2c1
CC(O)c1ccc(C)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
OCc1cccc(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
OCc1ccc(Cl)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
OCc1ccc(F)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
CCOc1ccc2cc(NC(=O)C3CC3)ncc2c1
OCCOc1ccc2cc(NC(=O)C3CC3)ncc2c1
CC(CO)Cc1ccc2cc(NC(=O)C3CC3)ncc2c1
C[C@H](CO)Oc1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
COC[C@H](C)Oc1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
C[C@H]1CC1C(=O)Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C |r|
C[C@@H]1CC1C(=O)Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C |r|
Cc1ccc(NC(=O)c2cnn(C)c2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
OCc1ncccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1cc(ccn1)C(=O)Nc1ccc(C)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(NC(=O)C2CCOCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
CN1CCC(CC1)C(=O)Nc1ccc(C)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
CN(C)Cc1ccc(cc1)C(=O)Nc1ccc(C)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1c(N)cncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1c(O)cncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1cc(CO)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccnc(CO)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
OC1CCN(C1)c1ccc2cc(NC(=O)C3CC3)ncc2c1
NCc1cccc(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1c(CO)cncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
CC(C)(C)Oc1ccc2cc(NC(=O)C3CC3)ncc2c1
CC(N(C)C)c1ccc(cc1)C(=O)Nc1ccc(C)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccncc1-c1ccc2cc(Nc3cccc(CO)n3)ncc2c1
COC[C@@H](C)Oc1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
C[C@H](CCO)Oc1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
O=C(Nc1cc2ccc(OC3CCC3)cc2cn1)C1CC1
OCc1ccncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
C[C@H](CNC(=O)c1ccc(CN2CCN(C)CC2)cc1)Cc1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
C[C@@H](CNC(=O)c1ccc(CN2CCN(C)CC2)cc1)Cc1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
C[C@@H](CCO)Oc1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
Clc1ccc(NC(=O)C2CCOCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Fc1ccc(NC(=O)C2CCOCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccccc1-c1ccc2cnc(NC(=O)C3CC3)cc2c1
Cc1ccc(NC(=O)[C@H]2CCCO2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(F)c(c2)-c2ccc3cc(NC(=O)C4CC4)ncc3c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)c(c2)-c2ccc3cc(NC(=O)C4CC4)ncc3c2)CC1
Cc1ccc(NC(=O)C2CCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
C[C@H](CO)Cc1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
C[C@@H](CO)Cc1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
Cc1ccc(NC(=O)C2CCOC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1cc(ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)C(C)(C)O
CNC(=O)c1cc(C)c(cn1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(NC(=O)N2CCOCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
CN1CCOC(C1)C(=O)Nc1ccc(C)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(NC(=O)N2CCCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(NC(=O)N2CCOC(CO)C2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
CC(C)Sc1ccc2cc(NC(=O)C3CC3)ncc2c1
CC(C)S(=O)c1ccc2cc(NC(=O)C3CC3)ncc2c1
CC(C)S(=O)(=O)c1ccc2cc(NC(=O)C3CC3)ncc2c1
FC(F)(F)c1ccncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1c(F)c(CO)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
COc1cc(C)c(cn1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
O[C@H]1COCC1Oc1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
O[C@@H]1COCC1Oc1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
CN1CCCC1c1ccc(cc1)C(=O)Nc1ccc(C)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
CN1CCC(C1)c1ccc(cc1)C(=O)Nc1ccc(C)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1nc(N)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1c(NC(=O)C2CCOCC2)cncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccncc1-c1ccc2cc(N)ncc2c1
CC[C@@H](O)c1cc(C)c(cn1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
CC[C@H](O)c1cc(C)c(cn1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
Cc1ccc(NC(=O)C2COCCO2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ncc(N)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
C[C@@H](O)c1cc(C)c(cn1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
C[C@H](O)c1cc(C)c(cn1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
O[C@H]1CCCC1Oc1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
O[C@@H]1CCCCC1Oc1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
O[C@H]1CCCCC1Oc1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
Cc1ncc(NC(=O)C2CCOCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
OCCNc1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc2[nH]ncc2c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ncc2[nH]ncc2c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc3cc(N)ncc3c2)CC1
Cc1ccncc1-c1ccc2cc(NC(=O)[C@H]3C[C@H]3F)ncc2c1 |r|
Cc1ccncc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1 |r|
Cc1ccncc1-c1ccc2cc(NC(=O)C3C4COCC34)ncc2c1
Cc1cnc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1cc(c(C)cn1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)C(=O)NC1CCOCC1
O=C(Nc1cc2ccc(cc2cn1)-c1cncc2[nH]ncc12)C1CC1
CN(C)Cc1ccc(cc1)C1CC1C(=O)Nc1cc2ccc(cc2cn1)-c1cc(F)ccc1C
COCC(=O)Nc1ccc(C)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
CO[C@H](C)C(=O)Nc1ccc(C)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
CO[C@@H](C)C(=O)Nc1ccc(C)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
O[C@@H]1CCCC1Oc1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
O=C(Nc1cc2ccc(cc2cn1)-c1cccc2[nH]cnc12)C1CC1
COC(C)(C)C(=O)Nc1ccc(C)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)C(=O)NC1COC1
CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2cnc(C)c(c2)-c2ccc3cc(NC(=O)C4CC4)ncc3c2)CC1
CCS(=O)(=O)Nc1ccc(C)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(NC(=O)C2(O)CCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(F)cc1-c1ccc2cc(ncc2c1)C(=O)NC1CC1
Cc1cc(ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)[C@H](O)C(F)(F)F |r|
Cc1cc(ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)[C@@H](O)C(F)(F)F |r|
COc1ccncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(NS(=O)(=O)C2CCCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(NC(=O)N2CCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(NC(=O)N2CCS(=O)(=O)CC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(NC(=O)N2CCC[C@@H]2CO)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
Cc1ccc(NC(=O)N2CCC[C@H]2CO)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
Cc1ccc(NC(=O)N2CC[C@@H](O)C2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
Cc1ccc(NC(=O)N2CC[C@H](O)C2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 |r|
Cc1cnc(CO)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ncc(O)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccncc1-c1ccc2cc(NC(=O)C3CC3(F)F)ncc2c1
Cc1ccncc1-c1ccc2cc(NC(=O)C3C[C@H]3F)ncc2c1 |r|
Cc1ccncc1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1 |r|
Cc1ccc(cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)C(=O)NC1(C)CCC1
Cc1ccc(cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)C(=O)NC1(C)CCS(=O)(=O)C1
Cc1ccc(cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)C(=O)NC1CCCC1
Cc1ccc(cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)C(=O)NC1CCOC1
COCCNC(=O)c1ccc(C)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)C(=O)NC(C)(C)CO
Cc1ccc(cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)C(=O)Nc1cnn(C)c1
Cc1ccc(cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)C(=O)N1CCOCC1
Cc1cncc(C)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccncc1-c1ccc2c(C#N)c(N)ncc2c1
Cc1ccncc1-c1ccc2c(C#N)c(NC(=O)C3CC3)ncc2c1
Cc1cc(ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)C(O)=O
Cc1ccc(F)cc1-c1ccc2cc(ncc2c1)C(=O)NC1CCC1
Cc1c(F)cc(cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)C(=O)NC1COC1
Cc1ccc(C(=O)NC2COC2)c(F)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(C(=O)NC2CCOCC2)c(F)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1c(F)cc(NC(=O)C2CCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1cc(ccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)C(C)(C)O
Cc1ccc(NC(=O)C2CCC2)c(F)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)C(=O)NC1(C)COC1
Cc1ccc(cc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1)C(=O)NC1(C)COC1 |r|
Cc1cc(ncc1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1)[C@H](O)C(F)(F)F |r|
Cc1cc(ncc1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1)[C@@H](O)C(F)(F)F |r|
CNC(=O)Nc1cc2ccc(cc2cn1)-c1cnccc1C
Fc1ccc(Cl)c(c1)-c1cc2cnc(NC(=O)C3CC3)cc2cn1
Clc1ccccc1-c1cc2cnc(NC(=O)C3CC3)cc2c(Cl)n1
Cc1nc(cc2cnc(NC(=O)C3CC3)cc12)-c1ccccc1Cl
Clc1ccccc1-c1cc2cnc(NC(=O)C3CC3)cc2cn1
Oc1c(ncc2cc(NC(=O)C3CC3)ncc12)-c1ccccc1Cl
Clc1ccccc1-c1cc2cnc(NC(=O)C3CC3)cc2c(=O)[nH]1
[O-][n+]1cc2cc(NC(=O)C3CC3)ncc2cc1-c1ccccc1Cl
COc1nc(cc2cnc(NC(=O)C3CC3)cc12)-c1ccccc1Cl
CCc1nc(cc2cnc(NC(=O)C3CC3)cc12)-c1ccccc1Cl
Clc1ccccc1-c1cc2cnc(NC(=O)C3CC3)cc2c(n1)C1CC1
O=C(Nc1cc2cnc(cc2cn1)C1CCCCC1)C1CC1
Cc1ccncc1-c1cc2cnc(NC(=O)C3CC3)cc2cn1
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2cn1
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(C)[n+]1[O-]
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c[n+]1[O-]
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(C)n1
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(n1)C#N
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(n1)N1CCCCC1
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(OC2CCCC2)n1
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(CO)n1
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(Oc2ccccc2)n1
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(n1)-c1cccnc1
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(Nc2ccccc2)n1
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(NC2CCCC2)n1
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(CF)n1
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(n1)-c1ccnn1C
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(n1)S(C)(=O)=O
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(n1)-c1ccccc1
Cc1nc(C)c(s1)-c1nc(cc2cnc(NC(=O)C3CC3)cc12)-c1cc(F)ccc1C
Cc1ccncc1-c1nc(cc2cnc(NC(=O)C3CC3)cc12)-c1cc(F)ccc1C
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(n1)-c1ccncc1
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(n1)-c1cc[nH]n1
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(n1)-c1cnn(C)c1
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(n1)-c1cn[nH]c1
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(n1)C(C)(C)O
Cc1[n+]([O-])c(cc2cnc(NC(=O)C3CC3)cc12)-c1ccccc1Cl
Cc1ccc(CO)cc1-c1cc2cnc(NC(=O)C3CC3)cc2cn1
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(OC2CCNCC2)n1
CN(C)Cc1nc(cc2cnc(NC(=O)C3CC3)cc12)-c1cc(F)ccc1C
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(n1)N1CCNCC1
CNCc1nc(cc2cnc(NC(=O)C3CC3)cc12)-c1cc(F)ccc1C
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(OC2CCNC2)n1
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(n1)C1CCOC1
Cc1ccncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1 |r|
Cc1ccc2[nH]ncc2c1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1 |r|
Cc1ccc(cc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1)C(=O)NC1(C)COC1 |r|
Fc1ccc(Cl)c(c1)-c1cnc2cc(NC(=O)C3CC3)ncc2c1
CCc1nc2cc(NC(=O)C3CC3)ncc2cc1-c1ccccc1Cl
Clc1cccc(Cl)c1-c1ccc2cc(NC(=O)C3CC3)ncc2n1
OCc1cccc(Nc2cc3ccc(nc3cn2)-c2ccccc2Cl)c1
Clc1ccccc1-c1ccc2cc(NC(=O)C3CC3)ncc2n1
Cc1cc2cc(NC(=O)C3CC3)ncc2nc1-c1cc(F)ccc1Cl
Cc1ccc(F)cc1-c1cc(C)c2cc(NC(=O)C3CC3)ncc2n1
Cc1ccc(F)cc1-c1cc(O)c2cc(NC(=O)C3CC3)ncc2n1
OC1(CCCCC1)c1ccc2cc(NC(=O)C3CC3)ncc2n1
Oc1cc(nc2cnc(NC(=O)C3CC3)cc12)-c1ccccc1Cl
OC1(CCCC1)c1ccc2cc(NC(=O)C3CC3)ncc2n1
Cc1nc(Cl)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccncc1-c1ccc2cc(NC(=O)C3CCO3)ncc2c1
Brc1ccc2cc(NC(=O)C3CC3)ncc2c1
Fc1cc(F)c(c(Cl)c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Fc1ccc(F)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1Cl
Cc1cccc(F)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1cccc(Cl)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Fc1ccc(F)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Fc1cccc(F)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccc(Cl)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Clc1cnccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
O=C(Nc1cc2ccc(cc2cn1)-c1ccncc1)C1CC1
O=C(Nc1cc2ccc(cc2cn1)-c1cccnc1)C1CC1
Cc1cccc(C)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
FC(F)(F)c1cccc(Cl)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
O=C(Nc1cc2ccc(cc2cn1)-c1ccccc1C#N)C1CC1
Clc1ccccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Fc1ccccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
CN1CCN(CC1)c1nccc(Nc2cc3ccc(cc3cn2)-c2c(Cl)cccc2Cl)n1
Clc1cccc(Cl)c1-c1ccc2cc(Nc3ccnc(n3)N3CCOCC3)ncc2c1
CCc1cc(Nc2cc3ccc(cc3cn2)-c2c(Cl)cccc2Cl)nc(n1)N1CCOCC1
CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1ccc2cc(NC(C)=O)ncc2c1
Cc1c(Cl)c(ncc1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1)[C@@H](O)C(F)(F)F |r|
Cc1c(Cl)c(ncc1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1)[C@H](O)C(F)(F)F |r|
Cc1ccncc1-c1cc2cnc(NC(=O)C3CC3F)cc2cn1
CC1CC(C)N1c1ccc2cc(NC(=O)C3CC3F)ncc2c1
Cc1c(F)cncc1-c1cc2cnc(NC(=O)C3CC3F)cc2c[n+]1[O-]
Cc1c(F)cncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1 |r|
O=C(Nc1cc2ccc(cc2cn1)-c1cccc2[nH]nnc12)C1CC1
Fc1cc(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c2cn[nH]c2c1
Cc1c(F)c(ncc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1)C(C)(C)O |r|
Cc1c(F)cncc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1 |r|
Cc1ccc[n+]([O-])c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1cc(ncc1-c1ccc2cc(NC(=O)C3CC3F)ncc2c1)S(C)=O
Cc1cc(ncc1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1)[C@@H](N)C(F)(F)F |r|
Cc1cc(ncc1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1)[C@H](N)C(F)(F)F |r|
CCO[C@@H]1CC1C(=O)Nc1cc2ccc(cc2cn1)-c1cnccc1C |r|
CCO[C@H]1CC1C(=O)Nc1cc2ccc(cc2cn1)-c1cnccc1C |r|
C[C@@H](O)c1nccc(C)c1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1 |r|
Cc1ccnc([C@@H](O)C(F)(F)F)c1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1 |r|
Cc1ccnc([C@H](O)C(F)(F)F)c1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1 |r|
C[C@H](O)c1nccc(C)c1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1 |r|
CC(C)C(=O)Nc1cc2ccc(cc2cn1)-c1cnc(cc1C)[C@H](O)C(F)(F)F |r|
CC(C)C(=O)Nc1cc2ccc(cc2cn1)-c1cnc(cc1C)[C@@H](O)C(F)(F)F |r|
Cc1cc(ncc1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1)C(O)C(F)F |r,w:24.28|
C[C@@H]1CCC(=O)N1c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1 |r|
C[C@H]1CCC(=O)N1c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1 |r|
Cc1ccc(cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)C(=O)NC1CC(F)(F)C1
Cc1cc(ncc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1)C(C)(C)O |r|
Cc1cc(ncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1)C(C)(C)O |r|
Cc1cc(ncc1-c1cc2cnc(NC(=O)C3C[C@@H]3F)cc2cn1)[C@H](O)C(F)(F)F |r|
Cc1cc(ncc1-c1cc2cnc(NC(=O)C3C[C@@H]3F)cc2cn1)[C@@H](O)C(F)(F)F |r|
Cc1cc[n+]([O-])cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Cc1ccncc1-c1cc2c[n+]([O-])c(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1 |r|
Cc1ccc(cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)C(=O)NC1(CO)CCC1
Cc1ccnc(CO)c1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1 |r|
F[C@H]1C[C@H]1C(=O)Nc1cc2cnc(cc2cn1)-c1ccccc1OC(F)(F)F |r|
Cc1ccc2[nH]ncc2c1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1 |r|
Cc1ccc(cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)C(=O)NC1CCC1
Cc1ccc(cc1-c1ccc2cc(N)ncc2c1)C(=O)NC1(C)CCC1
Cc1ccc(cc1-c1ccc2cc(N)ncc2c1)C(=O)NC1(C)COC1
Cc1ncc(cc1-c1ccc2cc(N)ncc2c1)C(=O)NC1CCC1
Cc1ncc(cc1-c1ccc2cc(N)ncc2c1)C(=O)NC1(C)CCC1
Cc1ccc(C(=O)NC2(C)COC2)c(F)c1-c1ccc2cc(N)ncc2c1
Cc1ccc(cc1-c1ccc2c(Cl)c(N)ncc2c1)C(=O)NC1(C)CCC1
CN1CCN(CC1)C1CCc2cc(ccc12)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Cc1ccc(NC(=O)c2ccc3C(CCc3c2)N2CCN(CC2)C(=O)OC(C)(C)C)cc1Nc1nccc(n1)-c1cccnc1
Cc1ccc(NC(=O)c2ccc3C(CCc3c2)N2CCNCC2)cc1Nc1nccc(n1)-c1cccnc1
CCN1CCN(CC1)C1CCc2cc(ccc12)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
CC(C)N1CCN(CC1)C1CCc2cc(ccc12)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Cc1ccc(NC(=O)c2ccc3C(CCc3c2)N2CCN(CCO)CC2)cc1Nc1nccc(n1)-c1cccnc1
CC(=O)N1CCN(CC1)C1CCc2cc(ccc12)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
CN1CCN(CC1)C1CCc2cc(ccc12)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cncnc2)c1
CN(C)C1CCN(C1)C1CCc2cc(ccc12)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
CN(C)[C@@H]1CCN(C1)C1CCc2cc(ccc12)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1 |r|
CN1CCN(CC1)[C@H]1CCc2cc(ccc12)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1 |r|
CN1CCN(CC1)C1CCc2cc(ccc12)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2ccncc2)c1
CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(Sc2ccc(F)cc2)c1=O
CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:23
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CSc1nc(N)cc(Oc2ccc(cc2)-c2nnc(Nc3cccc(c3)C(F)(F)F)[nH]2)n1
O[C@@H]1CCN(C1)c1ccc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r|
COc1ncc(cn1)-c1cc(ccc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r|
O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r|
O[C@@H]1CCN(C1)c1ncc(cc1-c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r|
NC[C@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r|
Cc1ncc(cn1)-c1cc(cnc1N1CC(C)(O)C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
CC(C)(O)C1CN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r|
O[C@@H]1CCN(C1)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r|
CN(CCO)c1ncc(cc1-c1cncc(c1)C#N)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(SC(F)(F)F)cc1 |r|
O[C@@H]1CCN(C1)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(SC(F)(F)F)cc1 |r|
OC[C@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)c(F)c1 |r|
O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(cc1)C(F)(F)C(F)(F)F |r|
O[C@@H]1CCN(C1)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(OC(F)(F)C(F)F)cc1 |r|
CC(F)(F)Oc1ccc(NC(=O)c2cnc(N3CC[C@@H](O)C3)c(c2)-c2cncnc2)cc1 |r|
O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(cc1)S(F)(F)(F)(F)F |r|
O[C@@H]1CCN(C1)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(SC(F)(F)Cl)cc1 |r|
O[C@@H]1CCN(C1)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(cc1)S(=O)C(F)(F)F |r|
O[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r|
O[C@H]1CN(C[C@H]1O)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r|
OC[C@@H]1CCN(C[C@@H]1O)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r|
O[C@H]1CN(C[C@H]1O)c1ncc(cc1-c1cncc(c1)C#N)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r|
O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(cc1)C(F)(F)C(F)(F)Cl |r|
Cc1ncncc1-c1cc(cnc1N1C[C@H](O)[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r|
N[C@H]1CN(C[C@@H]1O)c1ccc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r|
Cc1ncncc1-c1cc(ccc1N1C[C@H](O)[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r|
COc1ncc(c(OC)n1)-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r|
COC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
CCOC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
CC(C)OC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)OCC=C
CCCCOC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
CC(C)COC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CC2)C(=O)Oc2ccccc2)s1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)OCc1ccccc1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)OCCCl
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)OCCN1CCOCC1
CN(C)CCOC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)C=C
C\C=C\C(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
COC(=O)N1CCC(C1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
CCOC(=O)N1CCC(C1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
CC(C)OC(=O)N1CCC(C1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)C1CCN(C1)C(=O)OCC=C
CCCCOC(=O)N1CCC(C1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
CC(C)COC(=O)N1CCC(C1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)C1CCN(C1)C(=O)Oc1ccccc1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)C1CCN(C1)C(=O)OCc1ccccc1
Cc1nc(NC2CCN(C2)S(C)(=O)=O)cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)n1
CCS(=O)(=O)N1CCC(C1)Nc1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Cc1nc(NC2CCN(C2)C(=O)C=C)cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)n1
CCC(=O)N1CCC(C1)Nc1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c1cccc2c(N)nccc12
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4ccccn34)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cn3cnc4ccccc34)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4cc(ccn34)C(O)=O)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4cc(ccn34)C(N)=O)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4cccnn34)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4cc(cnn34)C(O)=O)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cn3cnc4cc(ccc34)C(O)=O)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(F)c(c3)C#Cc3nnc4ccccn34)cc2C(F)(F)F)CC1
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(c3)C(F)(F)F)cc2)ccn1
CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccncc4)cc3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5ncncc5c4)cc3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Nc4ccc5ncccc5c4)cc3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5ncccc5c4)cc3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5cccnc5c4)cc3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)cc2C(F)(F)F)CC1
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc4ncncc4c3)cc2)n(n1)-c1ccc2ncccc2c1
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc4cccnc4c3)cc2)n(n1)-c1ccc2ncccc2c1
CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12
CC(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N
CC(C)(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N
c1ccc2c(c1)cccc2Cc3c4c(ncnc4n(n3)CC5CCNCC5)N
CCN1CCC(CC1)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
CCN1CCC(Cn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1
CCN1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1
CS(=O)(=O)N1CCC(CC1)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
CC(C)n1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)ncnc12
CC(C)c1cccc(c1)-c1nn(C(C)C)c2ncnc(N)c12
CC(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12
COc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
CC(C)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc12
CC(C)Oc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
CCCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
COc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N
CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N
Nc1ncnc2n(CC3CCNCC3)nc(-c3cnc4ccccc4c3)c12
CC(C)Oc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
CCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccccc5)ccc4c3)c12
CCCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCC=C)ccc4c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccccc5Cl)ccc4c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5cccc(Cl)c5)ccc4c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccc(Cl)cc5)ccc4c3)c12
CC(C)n1nc(-c2ccc3cc(OCc4ccccc4)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCC=C)ccc3c2)c2c(N)ncnc12
CC(C)COc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
CC(C)COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc(Cl)cc3)c12
c1c2c(ncnc2n(n1)CC3CCNCC3)N
Cc1cc(ccc1-c1ccccc1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4oc(nc4c3)-c3ccccc3)c12
CC(C)(C)n1ncc2c(N)ncnc12
CC(C)COc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
COc1ccc(cc1C)-c1nn(c2ncnc(N)c12)C(C)(C)C
Cc1cccc(c1)-c1nn(c2ncnc(N)c12)C(C)(C)C
COc1ccc2cc(ccc2c1)-c1nn(c2ncnc(N)c12)C(C)(C)C
CCOc1ccc2cc(ccc2c1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Cn1ccc2cc(ccc12)-c1nn(c2ncnc(N)c12)C(C)(C)C
CC(C)(C)n1nc(-c2ccccc2)c2c(N)ncnc12
Cc1cc(ccc1OC)c2c3c(ncnc3n(n2)CC4CCNCC4)N
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccccc3)c12
CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(CCNC(=O)CC2[C@H]3CC4C[C@@H](C[C@@H]2C4)C3)CC1 |r,wU:46.50,40.43,44.46,THB:41:42:45:39.40.48,43:42:39:44.45.48,(-2,-2.7,;-2,-1.16,;-.67,-.39,;.67,-1.16,;2,-.39,;2,1.15,;.67,1.92,;-.67,1.15,;-2,1.92,;-3.33,1.15,;-3.33,-.39,;-4.67,-1.16,;-6,-.39,;-7.34,-1.15,;-6,1.15,;-7.34,1.92,;-8.67,1.15,;-10,1.92,;-10,3.46,;-11.34,4.23,;-12.67,3.46,;-12.67,1.92,;-14,1.15,;-15.34,1.92,;-15.34,3.46,;-16.67,1.15,;-18,1.92,;-11.34,1.15,;-4.67,1.93,;3.33,-1.16,;3.33,-2.7,;4.67,-3.47,;6,-2.7,;7.34,-3.47,;8.67,-2.7,;10,-3.47,;11.34,-2.7,;11.34,-1.16,;12.67,-3.47,;14,-2.7,;14,-1.16,;15.34,-.39,;16.67,-1.16,;18,-1.93,;18,-3.47,;16.67,-4.23,;15.34,-3.46,;16.67,-2.7,;16.23,-1.83,;6,-1.16,;4.67,-.39,)|
COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(CCCNC(=O)CC2[C@H]3C[C@@H]4C[C@H](C[C@@H]2C4)C3)CC1 |r,wD:41.54,45.53,47.49,43.46,THB:46:45:40.47.48:42,44:45:40:48.43.42,(2.67,-1.92,;2.67,-.38,;1.33,.39,;,-.38,;-1.33,.39,;-1.33,1.93,;,2.7,;1.33,1.93,;2.67,2.7,;4,1.93,;4,.39,;5.33,-.38,;6.67,.39,;8,-.38,;6.67,1.93,;8,2.7,;9.34,1.93,;10.67,2.7,;10.67,4.24,;12,5.01,;13.34,4.24,;13.34,2.7,;14.67,1.93,;16,2.7,;16,4.24,;17.34,1.93,;18.67,2.7,;12,1.93,;5.33,2.7,;-2.67,-.38,;-2.67,-1.92,;-4,-2.69,;-5.33,-1.92,;-6.67,-2.69,;-8,-1.92,;-9.34,-2.69,;-10.67,-1.92,;-12,-2.69,;-12,-4.23,;-13.34,-1.92,;-14.67,-2.69,;-14.67,-4.23,;-16.4,-3.74,;-18.67,-1.92,;-18.67,-3.46,;-17.34,-4.23,;-17.34,-2.69,;-16,-1.92,;-17.34,-1.15,;-16,-5.01,;-5.33,-.38,;-4,.39,)|
Clc1cnc(Nc2ccc(cc2)N2CCN(CCCNC(=O)CC3[C@H]4C[C@@H]5C[C@H](C[C@@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1 |r,wD:30.32,26.33,24.25,28.28,THB:25:26:23.24.32:29,27:26:23:32.28.29,(-8,-.38,;-6.67,.39,;-5.33,-.38,;-4,.39,;-4,1.93,;-2.67,2.7,;-1.33,1.93,;-1.33,.39,;,-.38,;1.33,.39,;1.33,1.93,;,2.7,;2.67,-.38,;2.67,-1.92,;4,-2.69,;5.33,-1.92,;6.67,-2.69,;8,-1.92,;9.34,-2.69,;10.67,-1.92,;12,-2.69,;12,-4.23,;13.34,-1.92,;14.67,-2.69,;16,-1.92,;17.34,-2.69,;17.34,-4.23,;18.67,-3.46,;18.67,-1.92,;16.4,-3.74,;14.67,-4.23,;16,-5.01,;17.34,-1.15,;5.33,-.38,;4,.39,;-5.33,2.7,;-6.67,1.93,;-8,2.7,;-9.34,1.93,;-10.67,2.7,;-10.67,4.24,;-12,5.01,;-13.34,4.24,;-13.34,2.7,;-14.67,1.93,;-16,2.7,;-16,4.24,;-17.34,1.93,;-18.67,2.7,;-12,1.93,)|
Clc1cnc(Nc2ccc(cc2)N2CCN(CCCCNC(=O)CC3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1 |r,wU:25.36,29.35,31.31,27.28,THB:30:29:26:24.31.32,28:29:24:27.26.32,(-8.67,-1.15,;-7.34,-.38,;-6,-1.15,;-4.67,-.38,;-4.67,1.15,;-3.33,1.93,;-2,1.15,;-2,-.38,;-.67,-1.15,;.67,-.38,;.67,1.15,;-.67,1.93,;2,-1.15,;2,-2.69,;3.33,-3.47,;4.67,-2.69,;6,-3.47,;7.34,-2.7,;8.67,-3.47,;10,-2.7,;11.34,-3.47,;12.67,-2.7,;12.67,-1.16,;14,-3.47,;15.34,-2.7,;16.67,-3.47,;18,-4.23,;19.34,-3.47,;19.34,-1.93,;18,-1.16,;16.67,-.39,;15.34,-1.16,;17.56,-1.83,;18,-2.7,;4.67,-1.15,;3.33,-.38,;-6,1.93,;-7.34,1.15,;-8.67,1.93,;-10,1.15,;-11.34,1.93,;-11.34,3.47,;-12.67,4.23,;-14,3.47,;-14,1.93,;-15.34,1.15,;-16.67,1.93,;-16.67,3.47,;-18,1.15,;-19.34,1.93,;-12.67,1.15,)|
Clc1cnc(Nc2cnn(CCN3CCN(CC3)C(=O)CC3C4C[C@@H]5CC(C4)C[C@H]3C5)c2)nc1NCc1cccc(NC(=O)C=C)c1 |r,wU:29.30,24.25,TLB:27:26:21.22.23:30,THB:25:26:21:23.24.30,(5.44,-3.59,;4.67,-2.25,;3.13,-2.25,;2.36,-.92,;3.13,.41,;2.36,1.75,;.82,1.75,;-.09,2.99,;-1.55,2.52,;-1.55,.98,;-2.88,.21,;-4.22,.98,;-5.55,.21,;-5.55,-1.33,;-6.88,-2.1,;-8.22,-1.33,;-8.22,.21,;-6.88,.98,;-9.55,-2.1,;-9.55,-3.64,;-10.89,-1.33,;-12.22,-2.1,;-13.55,-1.33,;-14.89,-.56,;-16.22,-1.33,;-16.22,-2.87,;-14.89,-3.64,;-14.89,-2.1,;-13.55,-4.41,;-12.22,-3.64,;-13.95,-3.15,;-.09,.5,;4.67,.41,;5.44,-.92,;6.98,-.92,;7.75,.41,;9.29,.41,;10.06,-.92,;11.6,-.92,;12.37,.41,;11.6,1.75,;12.37,3.08,;13.91,3.08,;14.68,1.75,;14.68,4.41,;16.22,4.41,;10.06,1.75,)|
Clc1cnc(Nc2cnn(c2)C2CCN(CC2)C(=O)CC2[C@H]3CC4C[C@@H](C[C@H]2C4)C3)nc1NCc1cccc(NC(=O)C=C)c1 |r,wD:27.30,21.23,25.26,THB:22:23:20.21.29:26,24:23:20:29.25.26,(4.11,-3.59,;3.34,-2.25,;1.8,-2.25,;1.03,-.92,;1.8,.41,;1.03,1.75,;-.51,1.75,;-1.42,2.99,;-2.88,2.52,;-2.88,.98,;-1.42,.5,;-4.22,.21,;-4.22,-1.33,;-5.55,-2.1,;-6.88,-1.33,;-6.88,.21,;-5.55,.98,;-8.22,-2.1,;-8.22,-3.64,;-9.55,-1.33,;-10.89,-2.1,;-12.22,-1.33,;-13.55,-2.1,;-13.55,-3.64,;-14.89,-2.87,;-14.89,-1.33,;-12.61,-3.15,;-10.89,-3.64,;-12.22,-4.41,;-13.55,-.56,;3.34,.41,;4.11,-.92,;5.65,-.92,;6.42,.41,;7.96,.41,;8.73,-.92,;10.27,-.92,;11.04,.41,;10.27,1.75,;11.04,3.08,;12.58,3.08,;13.35,1.75,;13.35,4.41,;14.89,4.41,;8.73,1.75,)|
Clc1cnc(Nc2cnn(c2)C2CCN(CCNC(=O)CC3[C@H]4C[C@@H]5C[C@H](C[C@@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1 |r,wU:22.33,26.32,28.28,24.25,THB:23:24:27:22.30.21,21:28:25:22.30.23,(-6.11,4,;-5.34,2.67,;-3.8,2.67,;-3.03,1.33,;-3.8,,;-3.03,-1.33,;-1.49,-1.33,;-.58,-2.58,;.88,-2.1,;.88,-.56,;-.58,-.09,;2.22,.21,;3.55,-.56,;4.88,.21,;4.88,1.75,;6.22,2.52,;7.55,1.75,;8.88,2.52,;10.22,1.75,;10.22,.21,;11.55,2.52,;12.89,1.75,;12.89,.21,;14.61,.7,;16.89,2.52,;16.89,.98,;15.55,.21,;15.55,1.75,;14.22,2.52,;15.55,3.29,;14.22,-.56,;3.55,2.52,;2.22,1.75,;-5.34,,;-6.11,1.33,;-7.65,1.33,;-8.42,,;-9.96,,;-10.73,1.33,;-12.27,1.33,;-13.04,,;-12.27,-1.33,;-13.04,-2.67,;-14.58,-2.67,;-15.35,-1.33,;-15.35,-4,;-16.89,-4,;-10.73,-1.33,)|
CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|
COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N2CCCC2)c2ncnc(N)c12
COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N2CCCCC2)c2ncnc(N)c12
COc1cc(ccc1NCc1ccccc1)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
CN(C)C1CCN(CCn2nc(-c3ccc(CC(=O)OC(C)(C)C)cc3)c3c(N)ncnc23)CC1
COC1CCN(CCn2nc(-c3ccc(NC(=O)OC(C)(C)C)c(OC)c3)c3c(N)ncnc23)CC1
CN1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
CN(C)CCN1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
CN(C)C1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
CN(C)CC1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
CN(C)CCC1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
CN(C)CC1CCN(CCn2nc(-c3cnc4[nH]ccc4c3)c3c(N)ncnc23)CC1
CN(C)C1CCN(CCn2nc(-c3cnc4[nH]ccc4c3)c3c(N)ncnc23)CC1
COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CN(C)C)CC2)c2ncnc(N)c12
COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
COc1cc(ccc1NC(=O)NC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
CN(C)C1CCN(CCn2nc(-c3ccc(NC(=O)OC(C)(C)C)cc3)c3c(N)ncnc23)CC1
CN(C)C1CCN(CCn2nc(-c3ccc(CC(O)=O)cc3)c3c(N)ncnc23)CC1
COc1cc(ccc1CC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
COc1cc(ccc1Cc1ncc(C)o1)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
Cc1ccc(C(=O)NC2=CC(Cl)C(CN3CCN(CCO)CC3)C=C2)cc1C#Cc1cnc2cccnn12
Cc1ccc(C(=O)NC2=CC(C3CC3)C(CN3CCN(CCO)CC3)C=C2)cc1C#Cc1cnc2cccnn12
COCCN1CCN(CC2C=CC(NC(=O)c3ccc(C)c(C#Cc4cnc5cccnn45)c3)=CC2C2CC2)CC1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
Cc1ccc(C(=O)NC2=CC(Cl)C(CN3CCc4cn[nH]c4C3)C=C2)cc1C#Cc1cnc2cccnn12
Cc1ccc(C(=O)NC2=CC(Cl)C(CN3CC4C=NNC4C3)C=C2)cc1C#Cc1cnc2cccnn12
Cc1ccc(C(=O)NC2=CC(Cl)C(CN3CCc4cn[nH]c4C3)C=C2)cc1C#Cc1cnc2cccnn12
CC(C)c1nc(-c2cnc3ccccc3c2)c2c(N)nccn12
CC(C)n1nc(-c2ccc3n(C)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2cc3ccccc3[nH]2)c2c(N)ncnc12
CC(C)n1nc(-c2cc3c(C)cccc3[nH]2)c2c(N)ncnc12
CC(C)n1nc(-c2cc3c(Cl)cccc3[nH]2)c2c(N)ncnc12
CCCCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
CC(C)n1nc(-c2ccc3cc(OCc4cc(C)ccc4C)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4ccccc4C)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4cc(ccc4C)C(F)(F)F)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4ccc(CC(F)(F)F)c(Cl)c4)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4cc(F)cc(Cl)c4)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OC(C)c4ccccc4)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4ccc(cc4)C(C)(C)C)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4ccncc4)ccc3c2)c2c(N)ncnc12
Cn1ccc2cc(ccc12)-c1nn(CC2CCNCC2)c2ncnc(N)c12
CN(C)c1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nc(n2ccnc(N)c12)C(C)(C)C
Cn1ccc2cc(ccc12)-c1nc(n2ccnc(N)c12)C(C)(C)C
COc1ccc2cc(ccc2c1)-c1nc(n2ccnc(N)c12)C(C)(C)C
CC(C)(C)c1nc(-c2cnc3ccccc3c2)c2c(N)nccn12
Cc1cccc2[nH]c(cc12)-c1nc(n2ccnc(N)c12)C(C)(C)C
CC(C)(C)c1nc(-c2ccc3ccccc3c2)c2c(N)nccn12
CC(C)n1nc(-c2ccc3cc(OC(=O)c4cccc(Cl)c4)ccc3c2)c2c(N)ncnc12
OCCNC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
O=C(NCCC1CCCNC1)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
NCCC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
Cc1cccc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1cccc(Cl)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1cccc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1ccncc1-c1ccc2nc(NC(=O)C3CC3)sc2c1
Cc1ccncc1-c1ccc2sc(NC(=O)[C@@H]3C[C@@H]3F)nc2c1 |r|
Cc1ccncc1-c1ccc2sc(NC(=O)C3CC3)nc2c1
Cc1c(F)cncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3CO)sc2c1 |r|
CC(=O)Nc1ccc(C)c(c1)-c1ccc2nc(NC(=O)C3CC3)sc2c1
Cc1ccnc(Cl)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1ccnc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1ccncc1-c1cnc2nc(NC(=O)C3CC3)sc2c1
Cc1ccc(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)C(C)(C)O |r|
CC(=C)c1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1ccncc1-c1cnc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Nc1ccc(cn1)-c1ccc2nc(NC(=O)C3CC3)sc2c1
Cc1cccc(F)c1-c1cnc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
CC(=O)c1cc(C)c(cn1)-c1ccc2sc(NC(=O)[C@@H]3C[C@@H]3F)nc2c1 |r|
Cc1c(O)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1cc(N)nc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1ccc2NCCc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1ccc2n(COCC[Si](C)(C)C)ccc2c1-c1ccc2sc(NC(=O)[C@@H]3C[C@@H]3F)nc2c1 |r|
Cc1cccc(F)c1-c1cc2sc(NC(=O)[C@@H]3C[C@@H]3F)nc2cn1 |r|
Cc1ccncc1-c1ccc2nc(N)sc2c1
CC(O)c1cc(C)c(cn1)-c1ccc2sc(NC(=O)[C@@H]3C[C@@H]3F)nc2c1 |r|
Cc1cc(CO)ncc1-c1ccc2sc(NC(=O)[C@@H]3C[C@@H]3F)nc2c1 |r|
Cc1cccc(F)c1-c1ccc2sc(NC(=O)C3CC3)nc2c1
Cc1ccc2[nH]ccc2c1-c1ccc2sc(NC(=O)[C@@H]3C[C@@H]3F)nc2c1 |r|
CC(=O)N1CCc2c1ccc(C)c2-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1cccc(F)c1-c1ccc2sc(NC(=O)C3C[C@H]3CO)nc2c1 |r|
Cc1cccc(F)c1-c1ccc2nc(NC(=O)C3CCC3)sc2c1
Cc1c(F)cncc1-c1cnc2nc(NC(=O)C3CC3)sc2c1
Cc1ccncc1-c1ccc2nc(NC(=O)C3CC3(F)F)sc2c1
Cc1ccncc1-c1ccc2nc(NC(=O)C3C[C@H](F)C3)sc2c1 |r,wU:18.19,(6.1,-1.79,;6.5,-.31,;7.98,.09,;8.38,1.58,;7.29,2.67,;5.81,2.27,;5.41,.78,;3.87,.78,;3.39,2.25,;1.88,2.57,;.85,1.42,;-.69,1.42,;-1.16,-.04,;-2.5,-.81,;-3.83,-.04,;-3.83,1.5,;-5.16,-.81,;-6.65,-.41,;-7.05,-1.9,;-8.38,-2.67,;-5.56,-2.3,;.08,-.95,;1.33,-.04,;2.84,-.36,)|
Cc1ccncc1-c1ccc2nc(NC(=O)C3C[C@H](F)C3)sc2c1 |r,wD:18.19,(4.69,-2.14,;5.78,-1.05,;7.27,-1.45,;8.36,-.36,;7.96,1.13,;6.47,1.52,;5.38,.44,;3.89,.83,;3.42,2.3,;1.91,2.62,;.88,1.47,;-.66,1.47,;-1.14,.01,;-2.47,-.76,;-3.8,.01,;-3.8,1.55,;-5.14,-.76,;-5.53,-2.25,;-7.02,-1.85,;-8.36,-2.62,;-6.62,-.36,;.11,-.9,;1.36,.01,;2.86,-.31,)|
Cc1cccc(F)c1-c1ccc2nc(NC(=O)C3CC3(F)F)sc2c1
Cc1cccc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@H](F)C3)sc2c1 |r,wU:17.17,19.20,(5.21,-1.76,;5.98,-.43,;7.52,-.43,;8.29,.91,;7.52,2.24,;5.98,2.24,;5.21,3.57,;5.21,.91,;3.67,.91,;2.9,2.24,;1.36,2.24,;.59,.91,;-.91,.59,;-1.07,-.95,;-2.41,-1.72,;-3.74,-.95,;-3.74,.59,;-5.07,-1.72,;-6.56,-1.32,;-6.96,-2.8,;-8.29,-3.57,;-5.47,-3.2,;.33,-1.57,;1.36,-.43,;2.9,-.43,)|
Cc1cccc(F)c1-c1ccc2nc(NC(=O)C3C[C@H](F)C3)sc2c1 |r,wD:19.20,(5.21,-1.76,;5.98,-.43,;7.52,-.43,;8.29,.91,;7.52,2.24,;5.98,2.24,;5.21,3.57,;5.21,.91,;3.67,.91,;2.9,2.24,;1.36,2.24,;.59,.91,;-.91,.59,;-1.07,-.95,;-2.41,-1.72,;-3.74,-.95,;-3.74,.59,;-5.07,-1.72,;-5.47,-3.2,;-6.96,-2.8,;-8.29,-3.57,;-6.56,-1.32,;.33,-1.57,;1.36,-.43,;2.9,-.43,)|
Cc1cccc(F)c1-c1ccc2nc(NC(=O)C3CC(F)(F)C3)sc2c1
Cc1ccncc1-c1ccc2nc(NC(=O)C3CCC3)sc2c1
Cc1ccncc1-c1ccc2nc(NC(=O)C3CC(F)(F)C3)sc2c1
CN(C(=O)OC(C)(C)C)c1ccc(C)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)sc3c2)c1F |r|
CNc1ccc(C)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)sc3c2)c1F |r|
Cc1c(F)cncc1-c1ccc2nc(NC(=O)C3CC3)sc2c1
Cc1c(F)cncc1-c1ccc2nc(NC(=O)C3CC3(F)F)sc2c1
Cc1c(F)cncc1-c1ccc2nc(NC(=O)C3CCC3)sc2c1
Cc1c(F)cncc1-c1ccc2nc(NC(=O)C3CC(F)C3)sc2c1 |(5.21,-1.09,;5.98,.24,;7.52,.24,;8.29,-1.09,;8.29,1.57,;7.52,2.91,;5.98,2.91,;5.21,1.57,;3.67,1.57,;2.9,2.91,;1.36,2.91,;.59,1.57,;-.91,1.25,;-1.07,-.28,;-2.41,-1.05,;-3.74,-.28,;-3.74,1.26,;-5.07,-1.05,;-6.56,-.65,;-6.96,-2.14,;-8.29,-2.91,;-5.47,-2.54,;.33,-.9,;1.36,.24,;2.9,.24,)|
Cc1c(F)cncc1-c1ccc2nc(NC(=O)C3CC(F)(F)C3)sc2c1
Cc1ccncc1-c1ccc2nc(NC(=O)c3ccccc3)sc2c1
CNc1nc2ccc(cc2s1)-c1cnccc1C
Cc1ccncc1-c1ccc2n(C)c(=N)sc2c1
COc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1ccsc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1cc[n+]([O-])cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
OB(O)c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1cccc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3CO)sc2c1 |r|
Cc1cccc(F)c1-c1ccc2nc(NC(=O)[C@H]3C[C@H]3CO)sc2c1 |r|
Cc1ncncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
CC(=O)c1cc(C)c(cn1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1cccc(F)c1-c1ccc2nc(NC(=O)C3C[C@H]3CO)sc2c1 |r|
Cc1c(F)cncc1-c1ccc2nc(NC(=O)C3C[C@H]3CO)sc2c1 |r|
Cc1cc(C)c(cn1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1cc(Cl)ncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1cc(ncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)C(F)(F)F |r|
OCc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1cc(CO)ncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
CC(O)c1cc(C)c(cn1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
CNC[C@@H]1CC1C(=O)Nc1nc2ccc(cc2s1)-c1c(C)cccc1F |r|
F[C@H]1C[C@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cnccc1C(F)(F)F |r|
F[C@H]1C[C@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cc[nH]n1 |r|
Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)C#Cc1ccccn1 |r|
Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)-n1cccn1 |r|
CNC[C@@H]1CC1C(=O)Nc1nc2ccc(cc2s1)-c1cncc(F)c1C |r|
Cc1ccc2[nH]ccc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1cccc(F)c1-c1ccc2nc(NC(=O)C3CC3)sc2c1
Cc1c(CO)cncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1ccncc1-c1cc(F)c2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1cccc(F)c1-c1cc(F)c2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1scnc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1ncnc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1c2NC(=O)Cc2ccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)C#C |r|
F[C@H]1C[C@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cnccc1Cl |r|
F[C@H]1C[C@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cnccc1C#N |r|
Cc1ccnc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
F[C@H]1C[C@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cncnc1C(F)(F)F |r|
O=C(Nc1nc2ccc(cc2s1)-c1cnc2[nH]ccc2c1)C1CC1
Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)-c1cc[nH]c1 |r|
Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)-c1nccs1 |r|
Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)C#N |r|
Cc1cn(nc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)C1CCCCO1 |r|
Cc1c[nH]nc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)-c1ccc[nH]1 |r|
Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)-c1cc[nH]n1 |r|
Cc1ccc2NC(=O)Cc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1c(ccc2sc(=O)[nH]c12)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1c[nH]c2ncc(cc12)-c1ccc2nc(NC(=O)C3CC3)sc2c1
F[C@H]1CC1C(=O)Nc1nc2ccc(cc2s1)-c1cnc2[nH]ccc2c1 |r|
O=C(Nc1nc2ccc(cc2s1)-c1cnc2[nH]ncc2c1)C1CC1
O=C(Nc1nc2ccc(cc2s1)-c1cnc2NC(=O)Cc2c1)C1CC1
O=C(Nc1nc2ccc(cc2s1)-c1cnc2NCCc2c1)C1CC1
Cc1cc(sn1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1nsc(c1Cl)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1ccc(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)sc3c2)c2cn[nH]c12 |r|
Cc1c(ccc2cn[nH]c12)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1nsc(c1C)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)-c1ncc[nH]1 |r|
Cc1ccc2ncsc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
CN(C(=O)[C@@H]1C[C@@H]1F)c1nc2ccc(cc2s1)-c1cnccc1C |r|
Cc1cc(CF)ncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1cc(F)ncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1ccncc1-c1ccc2nc(NC(=O)[C@H]3C[C@H]3F)sc2c1 |r|
Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@H]3F)sc2c1 |r|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3cccnc3)c2)CC1 |c:39,t:37|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3ccccn3)c2)CC1 |c:39,t:37|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3ccnc(C)c3)c2)CC1 |c:39,t:37|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3ccn[nH]3)c2)CC1 |c:39,t:37|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3[nH]ncc3C)c2)CC1 |c:39,t:37|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3cc(C)n[nH]3)c2)CC1 |c:39,t:37|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3cc(n[nH]3)C(O)=O)c2)CC1 |c:39,t:37|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3cc(n[nH]3)C(N)=O)c2)CC1 |c:39,t:37|
CNC(=O)c1cc(NC(=O)C2=NN=C(C2)c2cncc(c2)-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)[nH]n1 |c:12,t:10|
CN(C)C(=O)c1cc(NC(=O)C2=NN=C(C2)c2cncc(c2)-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)[nH]n1 |c:13,t:11|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3cn[nH]c3)c2)CC1 |c:39,t:37|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3cn[nH]c3C)c2)CC1 |c:39,t:37|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3ncco3)c2)CC1 |c:39,t:37|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3nc(C)co3)c2)CC1 |c:39,t:37|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3nc(co3)C(N)=O)c2)CC1 |c:39,t:37|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3cc(C)no3)c2)CC1 |c:39,t:37|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)C3N=CC=N3)c2)CC1 |c:39,46,48,t:37|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)N3CCCC3)c2)CC1 |c:39,t:37|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3ccccc3)c2)CC1 |c:39,t:37|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3cccc(C)c3)c2)CC1 |c:39,t:37|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3ccc(C)cc3)c2)CC1 |c:39,t:37|
COc1cccc(NC(=O)C2=NN=C(C2)c2cncc(c2)-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)c1 |c:12,t:10|
COc1ccc(NC(=O)C2=NN=C(C2)c2cncc(c2)-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)cc1 |c:11,t:9|
Cc1cc(on1)-c1cncc(c1)-c1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCNCC4)cc3)ccc2C)n1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3oncc3C)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3ccc(C)cn3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cc(C)ccn3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3ccn(C)n3)c2)CC1
Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(n1)-c1cncc(c1)-c1ccccn1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3nnco3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3nnc(C)o3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3ccns3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3sncc3C)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cc(C)ns3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cnsc3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3snnc3C)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3nncs3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3nnc(C)s3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3nccs3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3ncc(C)s3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3nc(C)cs3)c2)CC1
Cc1ccncc1-c1ccc2nc(NC(=O)C3C[C@@H]3F)sc2c1 |r|
Cc1ccnc(C)c1-c1ccc2nc(NC(=O)C3C[C@@H]3F)sc2c1 |r|
Cc1ccncc1-c1ccc2sc(NC(=O)C3CC3)nc2n1
Cc1ccncc1-c1cnc2nc(NC(=O)OC(C)(C)C)sc2c1
CC(=O)c1cc(C)c(cn1)-c1ccc2sc(NC(=O)C3C[C@@H]3F)nc2n1 |r|
Cc1ccc2n(COCCCS(C)(C)C)ccc2c1-c1ccc2sc(NC(=O)C3C[C@@H]3F)nc2n1 |r|
CC(C)[Si](OCc1cc(C)c(cn1)-c1ccc2sc(NC(=O)[C@@H]3C[C@@H]3F)nc2c1)(C(C)C)C(C)C |r|
COC(=O)[C@@H]1CC1C(=O)Nc1nc2cc(ccc2s1)-c1c(C)cccc1F |r|
Cc1ccncc1-c1ccc2nc(NC(=O)[C@H]3C[C@H](F)C3)sc2c1 |r,wU:16.16,wD:18.19,(4.93,-2.43,;6.01,-1.34,;7.5,-1.74,;8.59,-.65,;8.19,.84,;6.71,1.23,;5.62,.15,;4.13,.54,;3.73,2.03,;2.24,2.43,;1.15,1.34,;-.38,1.42,;-.94,-.02,;-2.42,-.41,;-3.51,.67,;-3.11,2.16,;-5,.28,;-5.77,-1.06,;-7.1,-.29,;-8.59,-.69,;-6.33,1.05,;.26,-.98,;1.55,-.15,;3.04,-.54,)|
CN(C(=O)OC(C)(C)C)c1ccc(C)c(-c2cnc3nc(NC(=O)C4C[C@@H]4F)sc3c2)c1F |r|
CN(C(=O)OC(C)(C)C)c1nc2ccc(cc2s1)-c1cnccc1C
Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1
Cc1cccc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)c(Cl)n2c1 |r|
Cc1cccc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)c(Cl)n2c1 |r|
Cc1c(NC(=O)[C@@H]2C[C@@H]2F)nc2ccc(cn12)-c1cnccc1C |r|
Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)c(Cl)n2c1 |r|
Cc1c(NC(=O)[C@@H]2C[C@@H]2F)nc2ccc(cn12)-c1cccc(F)c1C |r|
Cc1c(NC(=O)[C@@H]2C[C@@H]2F)nc2ccc(cn12)-c1c(C)cccc1F |r|
Cc1c(NC(=O)[C@@H]2C[C@@H]2F)nc2ccc(cn12)-c1cncc(F)c1C |r|
Cc1ccc(F)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1ccc(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
COC(=O)c1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(F)cncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1ccc2[nH]ccc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1
Cc1c(F)cncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)c(Cl)n2c1 |r|
Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1)C#N |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cc[nH]n1 |r|
Cc1c[nH]nc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(O)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cnccc1Cl |r|
Cc1cccc(c1C)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1ccc(N)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
CNc1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
CC(=O)Nc1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1ccc(Cl)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cnc2[nH]ccc2c1 |r|
Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1)-c1cc[nH]n1 |r|
Cc1cc(Cl)ccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(Cl)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cnccc1C(F)(F)F |r|
Cc1ccc(c(C)c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)c(F)n2c1 |r|
Cc1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1ccc2CC(=O)Nc2c1 |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cnccc1C#N |r|
Cc1c(F)ccc(c1C)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1cc(F)cc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1cc(F)ccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1)-c1cc[nH]c1 |r|
Cc1ccsc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1cccc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1cc(F)c(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(F)c(F)ccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(F)ccc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(F)c(Cl)ccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1ccnc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
COc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1cc(N)ncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(F)cc(N)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1ccc2NC(=O)Cc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1cccc(Cl)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c[nH]c2ncc(cc12)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1ccc2sc(=O)[nH]c2c1 |r|
Nc1ccc(cn1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1)-n1cccn1 |r|
OCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)c(Br)n2c1 |r|
COc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cccc(F)c1C#N |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cccc(F)c1F |r|
Cc1c[nH]c2ccc(C)c(-c3ccc4nc(NC(=O)[C@@H]5C[C@@H]5F)cn4c3)c12 |r|
COCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cccc(F)c1-c1ccco1 |r|
CSc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1cc(F)ncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
CC(=O)c1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
CN(C)c1cc(C)c(cn1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(F)cccc1-c1ccc2nc(NC(=O)C3CC3)cn2c1
Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@H]3F)cn2c1 |r|
Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@H]3C[C@H]3F)cn2c1 |r|
NCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
CC(=O)NCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(F)cccc1-c1ccc2nc(NC(=O)C3CCC3)cn2c1
Cc1c(F)cccc1-c1ccc2nc(NC(=O)C3CC3(F)F)cn2c1
Cc1c(F)cccc1-c1ccc2nc(NC(=O)C3CC(F)C3)cn2c1 |w:15.17,19.20,(4.93,-.52,;6.02,.57,;7.5,.17,;7.9,-1.32,;8.59,1.26,;8.19,2.74,;6.71,3.14,;5.62,2.05,;4.13,2.45,;3.73,3.94,;2.24,4.34,;1.08,3.23,;-.46,3.23,;-.94,1.76,;-2.43,1.36,;-3.51,2.45,;-3.12,3.94,;-5,2.05,;-6.34,2.82,;-7.11,1.49,;-8.59,1.09,;-5.77,.72,;.31,.86,;1.55,1.76,;3.04,1.36,)|
Cc1c(F)cccc1-c1ccc2nc(NC(=O)C3CC(F)(F)C3)cn2c1
CNCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
CC(C)NCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
COCCOCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
OCCOCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
CN(C)Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(cnc2[nH]ccc12)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cnc2[nH]ccc2c1Cl |r|
Cc1ccccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Oc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Nc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1cc2cc[nH]c2cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1cc2[nH]ccc2cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
CN(C)c1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1cc2nc[nH]c2cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
CCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1ccccc1C(F)(F)F |r|
F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cccc(F)c1C1CC1 |r|
CNc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1cc2ncoc2cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1ccc2[nH]cnc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1cc2scnc2cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1ccc2ocnc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1cc2ncsc2cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1c(ccc2ncsc12)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
CC(C)c1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)oc3n2)ccc1F |(-8,-2.69,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;-1.33,-.38,;,.38,;1.33,-.38,;2.67,.38,;4,-.38,;5.33,.38,;5.33,1.93,;4,2.69,;6.67,2.69,;8,1.93,;8,.38,;6.67,-.38,;6.67,-1.93,;4,-1.93,;5.33,-2.69,;2.67,-2.69,;1.33,-1.93,;,-2.69,;-4,-.38,;-5.33,.38,;-6.67,-.38,;-8,.38,)|
SCc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)oc3n2)c1 |(-9.34,-1.16,;-8,-1.93,;-6.67,-1.15,;-6.67,.38,;-5.33,1.15,;-4,.38,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;-1.33,.38,;,1.15,;1.33,.38,;2.67,1.15,;4,.38,;5.33,1.15,;5.33,2.69,;4,3.47,;6.67,3.47,;8,2.69,;8,1.15,;6.67,.38,;6.67,-1.15,;4,-1.15,;5.33,-1.93,;2.67,-1.93,;1.33,-1.15,;,-1.93,;-5.33,-1.93,)|
Nc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)oc3n2)c1 |(-8,-2.69,;-6.67,-1.93,;-6.67,-.38,;-5.33,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;-1.33,-.38,;,.38,;1.33,-.38,;2.67,.38,;4,-.38,;5.33,.38,;5.33,1.93,;4,2.69,;6.67,2.69,;8,1.93,;8,.38,;6.67,-.38,;6.67,-1.93,;4,-1.93,;5.33,-2.69,;2.67,-2.69,;1.33,-1.93,;,-2.69,;-5.33,-2.69,)|
Clc1cccc(Cl)c1-c1cc2cnc(Nc3cccc(c3)[N+]#[C-])nc2oc1=O |(4.67,3.08,;6,2.31,;7.34,3.08,;8.67,2.31,;8.67,.77,;7.34,,;7.34,-1.54,;6,.77,;4.67,,;3.33,.77,;2,,;.67,.77,;-.67,,;-.67,-1.54,;-2,-2.31,;-3.33,-1.54,;-3.33,,;-4.67,.77,;-6,,;-6,-1.54,;-4.67,-2.31,;-7.34,-2.31,;-8.67,-1.54,;.67,-2.31,;2,-1.54,;3.33,-2.31,;4.67,-1.54,;6,-2.31,)|
OCc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)oc3n2)c1 |(-9.34,-1.16,;-8,-1.93,;-6.67,-1.15,;-6.67,.38,;-5.33,1.15,;-4,.38,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;-1.33,.38,;,1.15,;1.33,.38,;2.67,1.15,;4,.38,;5.33,1.15,;5.33,2.69,;4,3.47,;6.67,3.47,;8,2.69,;8,1.15,;6.67,.38,;6.67,-1.15,;4,-1.15,;5.33,-1.93,;2.67,-1.93,;1.33,-1.15,;,-1.93,;-5.33,-1.93,)|
CN(C)c1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)oc3n2)cc1 |(-8.67,-.38,;-7.34,.38,;-7.34,1.93,;-6,-.38,;-6,-1.93,;-4.67,-2.69,;-3.33,-1.93,;-2,-2.69,;-.67,-1.93,;-.67,-.38,;.67,.38,;2,-.38,;3.33,.38,;4.67,-.38,;6,.38,;6,1.93,;4.67,2.69,;7.34,2.69,;8.67,1.93,;8.67,.38,;7.34,-.38,;7.34,-1.93,;4.67,-1.93,;6,-2.69,;3.33,-2.69,;2,-1.93,;.67,-2.69,;-3.33,-.38,;-4.67,.38,)|
CC(=O)Nc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)oc3n2)c1 |(-9.34,-2.69,;-8,-1.93,;-8,-.38,;-6.67,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;,-.38,;1.33,.38,;2.67,-.38,;4,.38,;5.33,-.38,;6.67,.38,;6.67,1.93,;5.33,2.69,;8,2.69,;9.34,1.93,;9.34,.38,;8,-.38,;8,-1.93,;5.33,-1.93,;6.67,-2.69,;4,-2.69,;2.67,-1.93,;1.33,-2.69,;-4,-2.69,)|
Cc1cccc(C)c1-c1cc2cnc(Nc3cccc(N)c3)nc2oc1=O |(4,2.69,;5.33,1.93,;6.67,2.69,;8,1.93,;8,.38,;6.67,-.38,;6.67,-1.93,;5.33,.38,;4,-.38,;2.67,.38,;1.33,-.38,;,.38,;-1.33,-.38,;-1.33,-1.93,;-2.67,-2.69,;-4,-1.93,;-4,-.38,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-8,-2.69,;-5.33,-2.69,;,-2.69,;1.33,-1.93,;2.67,-2.69,;4,-1.93,;5.33,-2.69,)|
CC(=O)Nc1cccc(Nc2ncc3cc(-c4c(C)cccc4C)c(=O)oc3n2)c1 |(-9.34,-2.69,;-8,-1.93,;-8,-.38,;-6.67,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;,-.38,;1.33,.38,;2.67,-.38,;4,.38,;5.33,-.38,;6.67,.38,;6.67,1.93,;5.33,2.69,;8,2.69,;9.34,1.93,;9.34,.38,;8,-.38,;8,-1.93,;5.33,-1.93,;6.67,-2.69,;4,-2.69,;2.67,-1.93,;1.33,-2.69,;-4,-2.69,)|
CCOC(=O)N1CCC(CC1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1
CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCN(CC2)C(C)=O)n1)-c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1
FC(F)(F)Oc1ccc2c(NC(=O)c3cc(ccc3S2(=O)=O)-c2ccnc(c2)N2CCOCC2)c1
OCc1ccc2Nc3ccc(cc3C(=O)Nc2c1)-c1ccnc(c1)N1CCOCC1
OCc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1ccnc(c1)N1CCOCC1
CS(=O)(=O)Nc1cccc(c1)-c1ccc2Nc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
FC(F)(F)COc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1ccnc(c1)N1CCOCC1
FC(F)(F)Oc1ccc2c(NC(=O)c3cc(ccc3S2=O)-c2ccnc(c2)N2CCOCC2)c1
CS(=O)(=O)Nc1cccc(c1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
O=C1Nc2cc(ccc2Oc2ccc(cc12)-c1ccnc(c1)N1CCOCC1)C#N
FC(F)(F)Oc1ccc2Nc3ccc(cc3C(=O)Nc2c1)-c1cccc(c1)C(=O)N1CCOCC1
CNS(=O)(=O)c1cccc(c1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
CC(C)(O)c1cccc(c1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
CN(C)S(=O)(=O)c1cccc(c1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
CS(=O)(=O)Nc1ccc(cc1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
CS(=O)(=O)Nc1ccc(cc1)-c1ccc2Nc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
FC(F)(F)Oc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1ccc(CN2CCOCC2)s1
FC(F)(F)Oc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1ccc2[nH]ncc2c1
FC(F)(F)Oc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1cnc2ccnn2c1
FC(F)(F)Oc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1cccc(c1)-c1ccn[nH]1
FC(F)(F)Oc1ccc2Sc3ccc(cc3C(=O)Nc2c1)-c1ccnc(c1)N1CCOCC1
FC(F)(F)CCOc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1ccnc(c1)N1CCOCC1
FC(F)(F)Oc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1cccc(c1)C(=O)N1CCOCC1
OCCNS(=O)(=O)c1cccc(c1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
CC(=O)NCc1ccc(s1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
OCCNC(=O)c1cccc(c1)-c1ccc2Nc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
COc1ccc(cc1O)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
FC(F)(F)Oc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1cnn(CCC#N)c1
CC(C)(O)Cn1cc(cn1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
OB(O)c1cccc(c1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
FC(F)(F)Oc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1ccnc(c1)N1CCNCC1
CC(=O)c1csc(c1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
FC(F)(F)Oc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1ccc(CN2CCNCC2)s1
FC(F)(F)Oc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1ccncc1
NS(=O)(=O)c1cccc(c1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
Nc1cc(ccn1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
CS(=O)(=O)Nc1cccc(c1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NCc2c1
FC(F)(F)Oc1ccc2Nc3ccc(cc3C(=O)Nc2c1)-c1cccc(c1)C(=O)N1CCNCC1
CN1CCN(CC1)c1cc(ccn1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
FC(F)(F)Oc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1cnn(c1)C1COC1
CC(C)(CO)n1cc(cn1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
FC(F)(F)c1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1ccnc(c1)N1CCOCC1
FC(F)(F)Oc1ccc2Nc3ccc(cc3C(=O)Nc2c1)-c1cccc(c1)C(=O)NCCN1CCOCC1
CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(Oc3ccc(OC(F)(F)F)cc3NC2=O)c1
OCCNC(=O)c1cccc(c1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
CN(C)CCn1cc(cn1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
FC(F)(F)Oc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1cnn(CCN2CCOCC2)c1
CN(C)CCNC(=O)c1cccc(c1)-c1ccc2Nc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
OB(O)CCCc1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
NC(=O)c1cccc(c1)-c1ccc2Nc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
FC(F)(F)Oc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1cnn(CC#N)c1
CS(=O)(=O)Nc1cccc(c1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3N=C(N)c2c1 |t:29|
FC(F)(F)Oc1ccc2Nc3ccc(cc3C(=O)Nc2c1)-c1cn[nH]c1
NC(=O)c1cccc(c1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
OB(O)c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
NCCNC(=O)c1cccc(c1)-c1ccc2Nc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
NCc1ccc(s1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
CN1c2cc(OC(F)(F)F)ccc2Oc2cc(ccc2C1=O)-c1cccc(NS(C)(=O)=O)c1
CN(c1cccc(c1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3N(C)C(=O)c2c1)S(C)(=O)=O
CN1CCN(CC1)C(=O)c1cccc(c1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
OCc1cccc(c1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
CS(=O)(=O)Nc1cccc(c1)-c1ccc2Oc3ccc(cc3NC(=O)c2c1)-c1ccc(OC(F)(F)F)cc1
CS(=O)(=O)Nc1cccc(c1)-c1ccc2Oc3ccc(CO)cc3NC(=O)c2c1
CN(c1cccc(c1)-c1ccc2c(Oc3ccc(OC(F)(F)F)cc3N(C)C2=O)c1)S(C)(=O)=O
CS(=O)(=O)Nc1cccc(c1)-c1ccc2NC(=O)c3cc(OC(F)(F)F)ccc3Oc2c1
OCCn1cc(cn1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(Oc3cc(OC(F)(F)F)ccc3NC2=O)c1
OB(O)CCc1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
CN1c2cc(OC(F)(F)F)ccc2Oc2ccc(cc2C1=O)-c1cccc(NS(C)(=O)=O)c1
FC(F)(F)Oc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1ccnc2[nH]ccc12
OCCOc1cccc(n1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
OCCOc1cc(ccn1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
O[C@H]1CCN(C1)c1cc(ccn1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 |r|
O[C@H]1CCN(C1)c1cccc(n1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 |r|
CN(CCO)c1cc(ccn1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
O[C@@H]1CCN(C1)c1cc(ccn1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 |r|
O[C@@H]1CCN(C1)c1cccc(n1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 |r|
CN(CCO)c1cccc(n1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1
c1cc(cc(c1)C(=O)N)c2cc(ncn2)Nc3ccc(cc3)OC(F)(F)F
OCCNC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
O[C@@H]1CCN(C1)c1ncc(cc1-c1cc[nH]n1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r|
CCC(NC(=O)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1)c1cccc(c1)C(F)(F)F
CC(NC(=O)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1)c1cccc(c1)C(F)(F)F
CC(NC(=O)c1cccc(c1)C(F)(F)F)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1
CCc1ccc(cc1-c1ccc2nc(Nc3cnn(C)c3)ncc2c1)C(C)NC(=O)c1cccc(c1)C(F)(F)F
FC(F)(F)c1cccc(NC(=O)c2ccc(C3CC3)c(c2)-c2ccc3nc(Nc4cnn(c4)C4CC4)ncc3c2)c1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cccnc3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3ccccn3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3ccncc3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3ccn[nH]3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3[nH]ncc3C)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cc(C)n[nH]3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cc(n[nH]3)C(N)=O)c2)CC1
CNC(=O)c1cc([nH]n1)-c1cncc(c1)-c1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc2C)n1
CN(C)C(=O)c1cc([nH]n1)-c1cncc(c1)-c1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc2C)n1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cn[nH]c3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cn[nH]c3C)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3ncco3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3nc(C)co3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3nc(co3)C(N)=O)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cc(C)no3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-n3cccn3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)N3CCCC3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3ccccc3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cccc(C)c3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3ccc(C)cc3)c2)CC1
COc1cccc(c1)-c1cncc(c1)-c1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc2C)n1
COc1ccc(cc1)-c1cncc(c1)-c1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc2C)n1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cnns3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cnn(C)c3)c2)CC1
Cc1c(F)cccc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Cc1c(cnc2[nH]ccc12)-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccc2[nH]ccc2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cccc2[nH]ccc12 |r|
Cc1c(F)cc2[nH]ncc2c1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Cc1c(ccc2[nH]ccc12)-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1ccnc2[nH]ccc12 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1c[nH]c2ccccc12 |r|
Nc1nc2ccc(cn2c1C(=O)[C@@H]1C[C@@H]1F)-c1cc(F)cc2[nH]ccc12 |r|
Cc1c(F)cc2[nH]ccc2c1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1 |r|
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C#Cc1cnc2c(Nc3cnn(C)c3)nccn12
Cc1ccc(cc1C#Cc1cnc2c(Nc3cnn(C)c3)nccn12)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1C#Cc1cnc2c(Nc3cnn(C)c3)nccn12
Cc1cn(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(c1)C#Cc1cnc2c(Nc3cnn(C)c3)nccn12
CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cnc3c(Nc4cnn(C)c4)nccn23)CC1
Cc1ccc(NC(=O)c2cc(on2)C(C)(C)C)cc1C#Cc1cnc2c(Nc3cnn(C)c3)nccn12
Cc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1C#Cc1cnc2c(Nc3cnn(C)c3)nccn12
COCCn1cc(Nc2nccn3c(cnc23)C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1
COCCn1cc(Nc2nccn3c(cnc23)C#Cc2cc(NC(=O)c3ccnc(c3)C(F)(F)F)ccc2C)cn1
COCCn1cc(Nc2nccn3c(cnc23)C#Cc2cc(NC(=O)c3cc(on3)C(C)(C)C)ccc2C)cn1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C#Cc1cnc2c(Nc3cnn(C)c3)ccnn12
Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1C#Cc1cnc2c(Nc3cnn(C)c3)ccnn12
Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1cnc2c(Nc3cnn(C)c3)ccnn12
Cc1ccc(cc1C#Cc1cnc2c(Nc3cnn(C)c3)ccnn12)C(=O)Nc1cccc(c1)C(F)(F)F
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4c(Nc5cnn(C)c5)ccnn34)cc2C(F)(F)F)CC1
Cc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1C#Cc1cnc2c(Nc3cnn(C)c3)ccnn12
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]ccc2c1
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]ccc2c1Cl
Cc1nc2[nH]ccc2cc1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cc2cc[nH]c2nc1Cl
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]ccc2c1F
COc1c(cnc2[nH]ccc12)-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]cc(F)c2c1
Cc1cc2cc(cnc2[nH]1)-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
Cc1c(cnc2[nH]ccc12)-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
Nc1c(cnc2[nH]ccc12)-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]cc(Cl)c2c1
Cc1c[nH]c2ncc(cc12)-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
CCc1c(cnc2[nH]ccc12)-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
CSc1c(cnc2[nH]ccc12)-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
CC(C)c1c(cnc2[nH]ccc12)-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]ccc2c1C1CC1
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]ccc2c1C#N
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]c(Cl)cc2c1
Cc1c(cnc2[nH]ccc12)-c1ccn2nc(NC(=O)[C@H]3C[C@H]3F)cc2c1
Cc1c(cnc2[nH]ccc12)-c1ccn2nc(NC(=O)[C@H]3C[C@@H]3F)cc2c1
Cc1c(cnc2[nH]ccc12)-c1ccn2nc(NC(=O)[C@@H]3C[C@H]3F)cc2c1
Clc1c(cnc2[nH]ccc12)-c1ccn2nc(NC(=O)C3CC3)cc2c1
Cc1c(cnc2[nH]cc(F)c12)-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
Cc1c(cnc2[nH]cc(Cl)c12)-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
F[C@@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]ccc2c1Cl
F[C@H]1C[C@@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]ccc2c1Cl
F[C@@H]1C[C@@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]ccc2c1Cl
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]cc(Cl)c2c1Cl
F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]cc(F)c2c1Cl
Cc1ccnc(C)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1cccnc1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)nccc2Br)cc(n1)N1CCN(CCO)CC1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cncc2Cl)cc(n1)N1CCN(CCO)CC1
Cc1cncc(C)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1nc(Nc2ncc(s2)C(=O)Nc2cccnc2C)cc(n1)N1CCN(CCO)CC1
Cc1csc(Cl)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1nn(C)c(C)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1noc(C)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
CN1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(Cl)ccnc2C)nc(C)n1
Cc1nc(NCCO)cc(Nc2ncc(s2)C(=O)Nc2c(Cl)ccnc2C)n1
Cc5nc(Nc3ncc(C(=O)NC1CN2CCC1CC2)s3)cc(N4CCN(CCO)CC4)n5
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)nccc2Cl)cc(n1)N1CCN(CCO)CC1
CCc1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)nccn12
CCc1nc(C#Cc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)c2c(N)nccn12
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nc(C)n4ccnc(N)c34)cc2C(F)(F)F)CC1
CC(C)c1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)nccn12
CCn1cc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
CCn1cc(C#Cc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
CCn1cc(C#Cc2cc(ccc2C)C(=O)Nc2cccc(n2)C(F)(F)F)c2c(N)ncnc12
CCn1cc(C#Cc2cccc(c2)C(=O)Nc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
CCn1cc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN(C)C)c(c2)C(F)(F)F)c2c(N)ncnc12
CCn1cc(C#Cc2cc(ccc2C)C(=O)Nc2cc(cc(c2)C(F)(F)F)-n2cnc(C)c2)c2c(N)ncnc12
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(c2)C#Cc2cn(C)c3ncnc(N)c23)cc(c1)C(F)(F)F
CC(C)n1cc(C#Cc2cc(ccc2C)C(=O)Nc2cc(cc(c2)C(F)(F)F)-n2cnc(C)c2)c2c(N)ncnc12
CC(C)n1cc(C#Cc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
Cc1ccc(cc1C#Cc1cn(C)c2ncnc(N)c12)C(=O)Nc1cccc(c1)C(F)(F)F
CC(C)n1cc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cn(C)c4ncnc(N)c34)cc2C(F)(F)F)CC1
CCn1cc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
CCn1cc(C#Cc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)c(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cn(C)c3ncnc(N)c23)CC1
Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1cn(C2CCCC2)c2ncnc(N)c12
CCn1cc(C#Cc2cc(NC(=O)c3cc(cc(c3)C(F)(F)F)-n3cnc(C)c3)ccc2C)c2c(N)ncnc12
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cn([C@H]4CC[C@H](O)CC4)c4ncnc(N)c34)cc2C(F)(F)F)CC1 |r,wU:25.25,wD:28.29,(10.32,10.28,;9.55,8.95,;10.32,7.62,;9.55,6.28,;8.01,6.28,;7.24,4.95,;5.7,4.95,;4.93,6.28,;3.39,6.28,;2.62,4.95,;1.08,4.95,;.31,3.61,;1.08,2.28,;-1.23,3.61,;-2,4.95,;-3.54,4.95,;-4.31,3.61,;-5.85,3.61,;-3.54,2.28,;-2,2.28,;-4.31,.95,;-5.08,-.39,;-5.85,-1.72,;-5.23,-3.13,;-6.37,-4.16,;-6.21,-5.69,;-4.81,-6.31,;-4.65,-7.85,;-5.89,-8.75,;-5.73,-10.28,;-7.3,-8.12,;-7.46,-6.59,;-7.71,-3.39,;-9.17,-3.86,;-10.32,-2.83,;-10,-1.32,;-8.53,-.85,;-8.21,.66,;-7.39,-1.88,;3.39,3.61,;4.95,3.57,;5.72,2.23,;6.49,.9,;7.06,3,;4.39,1.46,;7.24,7.62,;8.01,8.95,)|
Cc1ccc(cc1C#Cc1cn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12)C(=O)Nc1cccc(c1)C(F)(F)F |r,wU:12.12,wD:15.16,(-4.21,5.61,;-2.67,5.61,;-1.9,6.95,;-.36,6.95,;.41,5.61,;-.36,4.28,;-1.9,4.28,;-2.67,2.95,;-3.44,1.61,;-4.21,.28,;-3.59,-1.13,;-4.73,-2.16,;-4.57,-3.69,;-3.16,-4.31,;-3,-5.85,;-4.25,-6.75,;-4.09,-8.28,;-5.65,-6.12,;-5.82,-4.59,;-6.06,-1.39,;-7.53,-1.86,;-8.67,-.83,;-8.35,.68,;-6.89,1.15,;-6.57,2.66,;-5.74,.12,;1.95,5.61,;2.72,4.28,;2.72,6.95,;4.26,6.95,;5.03,8.28,;6.57,8.28,;7.34,6.95,;6.6,5.57,;5.03,5.61,;7.37,4.23,;8.14,2.9,;6.03,3.46,;8.7,5,)|
Cc1ccc(cc1C#Cc1cn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12)C(=O)Nc1ccc(C)c(c1)C(F)(F)F |r,wU:12.12,wD:15.16,(-4.31,5.61,;-2.77,5.61,;-2,6.95,;-.46,6.95,;.31,5.61,;-.46,4.28,;-2,4.28,;-2.77,2.95,;-3.54,1.61,;-4.31,.28,;-3.69,-1.13,;-4.83,-2.16,;-4.67,-3.69,;-3.27,-4.31,;-3.11,-5.85,;-4.35,-6.75,;-4.19,-8.28,;-5.76,-6.12,;-5.92,-4.59,;-6.17,-1.39,;-7.63,-1.86,;-8.78,-.83,;-8.46,.68,;-6.99,1.15,;-6.67,2.66,;-5.85,.12,;1.85,5.61,;2.62,4.28,;2.62,6.95,;4.16,6.95,;4.93,8.28,;6.47,8.28,;7.24,6.95,;8.78,6.95,;6.49,5.57,;4.93,5.61,;7.26,4.23,;8.03,2.9,;8.6,5,;5.93,3.46,)|
CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cn([C@H]3CC[C@H](O)CC3)c3ncnc(N)c23)CC1 |r,wU:31.32,wD:34.36,(10.32,10.28,;9.55,8.95,;10.32,7.62,;9.55,6.28,;8.01,6.28,;7.24,4.95,;5.7,4.95,;4.93,6.28,;3.39,6.28,;2.62,4.95,;3.39,3.61,;4.95,3.57,;5.72,2.23,;6.49,.9,;7.06,3,;4.39,1.46,;1.08,4.95,;.31,6.28,;.31,3.61,;-1.23,3.61,;-2,4.95,;-3.54,4.95,;-4.31,3.61,;-5.85,3.61,;-3.54,2.28,;-2,2.28,;-4.31,.95,;-5.08,-.39,;-5.85,-1.72,;-5.23,-3.13,;-6.37,-4.16,;-6.21,-5.69,;-4.81,-6.31,;-4.65,-7.85,;-5.89,-8.75,;-5.73,-10.28,;-7.3,-8.12,;-7.46,-6.59,;-7.71,-3.39,;-9.17,-3.86,;-10.32,-2.83,;-10,-1.32,;-8.53,-.85,;-8.21,.66,;-7.39,-1.88,;7.24,7.62,;8.01,8.95,)|
COc1cc2nccc(Oc3c(F)cc(NC(=O)NC4CC4)c(Cl)c3F)c2cc1C(N)=O
COc1cc2c(cc1C(=O)N)c(ccn2)Oc3ccc(c(c3)Cl)NC(=O)NC4CC4
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCCN1C(=O)C=C |r|
C[C@@H]1COC2NC=NC=C2c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc3nc(C(F)F)n1c23
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
CN(CCCC1CCCCC1)C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(C)=O
CN(CCCC1CCCCC1)C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC1CCCCC1)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(O)=O
CC[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(C)=O)C(=O)N(C)CCCC1CCCCC1
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
CC[C@H](NC(=O)[C@H](Cc1ccc(cc1)P(O)(O)=O)NC(C)=O)C(=O)N(C)CCCC1CCCCC1
CC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N(C)CCCC1CCCCC1
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(O)=O
CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1
CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCN(CC1)C1CCNCC1
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2nnc3n(C)nc(C)c3n2)cc1
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCOCC3)nc12
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCNCC3)nc12
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCO)nc12
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCNCC3)nc12
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)nc12
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCCC3)nc12
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN)nc12
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(N)(=O)=O)nc12
CC(C)C(CO)NS(=O)(=O)c1ccc(Nc2nnc3n(C)nc(C)c3n2)cc1
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCOCC3)nc12
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCC(O)CO)nc12
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Fc1ccc(Nc2ncnc3sc(NC(=O)C=C)cc23)cc1Cl
Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5CCC4C(=O)C5)cc23)cc1Cl
Nc1ncnc2scc(-c3ccc4c(cccc4c3)C(=O)Nc3ccccc3)c12
CN1CCN(CCC(=O)Nc2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c2C)CC1
CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1
CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|
C1Oc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2O1
C1COc2cc3c(Nc4cccc(c4)-c4ccccc4)ncnc3cc2O1
C1COc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2OC1
C1COc2cc3c(Nc4cccc(c4)-c4ccco4)ncnc3cc2O1
C1COc2cc3c(Nc4cccc(c4)-c4cccs4)ncnc3cc2O1
C1COc2cc3c(Nc4cccc(c4)-c4ccccn4)ncnc3cc2O1
C1COc2cc3c(Nc4nccc(n4)-c4ccccc4)ncnc3cc2O1
C1COc2cc3c(Nc4nc(cs4)-c4ccccc4)ncnc3cc2O1
C1COc2cc3c(Nc4cccc(c4)-c4ccc[nH]4)ncnc3cc2O1
COc1cc2ncnc(Nc3cccc(c3)-c3ccccc3)c2cc1OC
COc1ccc(cc1O)/C=C\c2cc(c(c(c2)OC)OC)OC
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C
CCCCCCN(CCCCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@H](C)C(=O)NCCC1CCCCC1
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@H](C)C(=O)NCCc1ccccc1
CCCCCCCCN(CCCCCCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C
CCCCN(CCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)NCCc1ccccc1
CCCCCN(CCCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C
CCCCCCN(CCCCCC)C(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C
Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)nc(CCC#N)nc12
CN1CCC(CC1)c1nc(Nc2ccc(cc2)P(C)(C)=O)c2ncn(\C=C\c3c(C)cccc3C)c2n1
COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
CN1CCC(O)(CC1)c1nc(c(o1)-c1ccncc1)-c1ccc(F)cc1
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
CNC(=O)c1ncc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(CCO)CC3)c(c2)C(F)(F)F)n1C
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)CN3CC[C@H](C3)C(=O)Nc4ccc(c(c4)Cl)O
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C
CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN)c2)ncc1Cl
OC1(CCNCC1)c1nc(c(o1)-c1ccnc(NC2CCCCC2)c1)-c1ccc(F)cc1
CN1CCC(O)(CC1)c1cn(c(n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NC2CCCC2)n1
CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
CCNC(=O)Nc1ccc2ncc(cc2n1)-c1ccc(OC)cc1
CCNC(=O)Nc1ccc2ncc(cc2n1)-c1ccc(OC)c(OC)c1
COc1ccc(cc1OC)-c1cnc2ccc(NC(=O)NC(C)(C)C)nc2c1
COc1cc(ccc1O)-c1cnc2ccc(NC(=O)NC(C)(C)C)nc2c1
Cn1cc(cn1)-c1cnc2ccc(NC(=O)NC(C)(C)C)nc2c1
Cn1cc(cn1)-c1cnc2ccc(NC(=O)Nc3ccccc3)nc2c1
Cn1cc(cn1)-c1cnc2ccc(NC(=O)NCc3ccccc3)nc2c1
Cn1cc(cn1)-c1cnc2ccc(NC(=O)NCCc3ccccc3)nc2c1
Cc1ccc(NC(=O)Nc2cccc(c2)N2CCCC2)cc1Nc1nccc(n1)-c1cccnc1
CN(Cc1ccccc1NC(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1)C1CCCCC1
Cc1ccc(NC(=O)N2CCCCC2)cc1Nc1nccc(n1)-c1cccnc1
CCN(CC)c1ccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1
CN(C)c1cccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
CCN(CC)c1cccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1Nc1nccc(n1)-c1cccnc1
Cc1ccc(NC(=O)Nc2cccnc2)cc1Nc1nccc(n1)-c1cccnc1
CN(C)c1ccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1
CCCc1nn(C)c2nnc(nc12)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCN(C)CC1
CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)NC(C)(CO)CO
CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)NC(C)(C)CO
CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCNCC1
CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCOCC1
CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCCCC1
CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCCC1
CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCCNCC1
CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)NCCN
CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)NCCN1CCOCC1
CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N(CC)CC
CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)NCCO
COc1cc2Cc3c(Nc4cccc(F)c4)[nH]nc3-c2cc1OC
CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NC[C@H]4CCCO4)Cl
CN1CCN(CC1)c1ccc(NC(=O)c2cc(c[nH]c2=O)-c2ccc3OCOc3c2)cc1
CN1CCN(CCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1
CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1
CN1CCN(CCCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1
Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(O)ccc2[nH]1
O=C(Nc1nnc(Cc2ccccc2)s1)Nc1ccccc1
Ic1ccc(C=C2C(=O)NN(C2=O)c2ccc(I)cc2)cc1 |w:5.4|
Nc1ncnc2n[nH]c(-c3ccc(Cl)cc3)c12
Cc1ccc(cc1C)N1NC(=O)C(=Cc2ccc(o2)-c2ccc(C)c(Cl)c2)C1=O |w:13.14|
COc1cc(SC)ccc1C(=O)Nc1nnc(CCc2ccccc2)s1
Brc1cc2OCOc2cc1C=C1C(=O)NN(C1=O)c1ccc(I)cc1 |w:10.11|
Ic1ccc(cc1)N1NC(=O)C(=Cc2ccccc2)C1=O |w:12.13|
Clc1ccc(cc1Cl)N1NC(=O)C(=Cc2cccc(OCc3ccccc3)c2)C1=O |w:13.14|
Ic1ccccc1C(=O)Nc1nnc(CCc2ccccc2)s1
Ic1ccc(cc1)N1NC(=O)C(=Cc2ccc(cc2)N2CCOCC2)C1=O |w:12.13|
OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
N#Cc1ccc(cc1)-c1cnc2ccc(NCc3ccccc3)nn12
NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
ClC(Cn1ncc2c(Nc3cccc(Br)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Oc1cccc(Nc2nc(SC3CCCC3)nc3n(CC(Cl)c4ccccc4)ncc23)c1
CC(C)Sc1nc(Nc2cccc(O)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1
ClC(Cn1ncc2c(Nc3cccc(Cl)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Cl.CC(Cn1ncc2c(Nc3cccc(O)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1
CSc1nc(Nc2cccc(O)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
Cl.Oc1cccc(Nc2nc(SCCN3CCOCC3)nc3n(CCc4ccccc4)ncc23)c1
Cc1ccc(NC(=O)c2ccc(CN3CCN(CCO)CC3)cc2)cc1-n1cc(cn1)-c1cccnc1
CCN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-n2cc(cn2)-c2cccnc2)CC1
Cc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1-n1cc(cn1)-c1cccnc1
CN1CCCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-n2cc(cn2)-c2cccnc2)CC1
CCN(CC)Cc1ccc(cc1)C(=O)Nc1ccc(C)c(c1)-n1cc(cn1)-c1cccnc1
Cc1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1-n1cc(cn1)-c1cccnc1
Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1-n1cc(cn1)-c1cccnc1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-n2cc(cn2)-c2cccnc2)CC1
COc1ccc(cc1)C(=O)Nc1ccc(C)c(c1)-n1cc(cn1)-c1cccnc1
Cc1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1-n1cc(cn1)-c1cccnc1
CCc1ccc(cc1)C(=O)Nc1ccc(C)c(c1)-n1cc(cn1)-c1cccnc1
Cc1ccc(NC(=O)c2ccc(F)cc2)cc1-n1cc(cn1)-c1cccnc1
Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1-n1cc(cn1)-c1cccnc1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-n1cc(cn1)-c1cccnc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12)C(C)(C)C
Cc1ccc(NC(=O)c2ccc(N)c(c2)C(F)(F)F)cc1Nc1nccc(n1)-c1cccnc1
CN(CO)N=Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Cc1ccc(NC(=O)c2ccc(N)cc2)cc1Nc1nccc(n1)-c1cccnc1
Cc1ccc(NC(=O)c2ccc(cc2)N(CCCl)CCCl)cc1Nc1nccc(n1)-c1cccnc1
Cc1ccc(NC(=O)c2ccc(CN(CCCl)CCCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
CN(CO)N=Nc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
CN=NNc1ccc(cc1Cl)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1 |w:1.0|
CN(CCCl)Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
CN(C)N=Nc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
CN=NNc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1 |w:1.0|
COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1
c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F
COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCN1CCOCC1)C#N
N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1cccc(CN2CCOCC2)c1
COc1ccc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2c1)C#N
COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCc1ccccc1
COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCCN1CCOCC1
COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCCc1cccnc1
COCCOc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC
COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC
COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCc1cccnc1)C#N
COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCN1CCOCC1
N#Cc1cnc2cc(ccc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1ccc(CN2CCOCC2)cc1
COc1ccc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2c1
N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1ccc(CN2CCOCC2)cc1
NCc1ccc(cc1)-c1ccc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2c1
COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OC1CCN(C)CC1)C#N
COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCN1CCN(C)CC1)C#N
Cc1cc(cc2nnc(Nc3ccc(CCCN4CCCC4)cc3)nc12)-c1cc(O)ccc1Cl
Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1c(O)cccc1Cl
CN1CCN(CC1)C(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(O)ccc2Cl)cc1
Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cc(N)ccc1Cl
Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cc(O)ccc1Cl
Cc1cc(cc2nnc(Nc3ccc(cc3)S(N)(=O)=O)nc12)-c1cc(O)ccc1Cl
Cc1cc(cc2nnc(Nc3ccc(cc3)C(=O)NCCN3CCCC3)nc12)-c1cc(O)ccc1Cl
CN(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(O)ccc2Cl)cc1
Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1c(Cl)ccc(O)c1Cl
Cc1cc(cc2nnc(Nc3ccc(cc3)C(=O)N3CCS(=O)(=O)CC3)nc12)-c1cc(O)ccc1Cl
Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cc(O)ccc1Br
CN(CCN1CCOCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(O)ccc2Cl)cc1
Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)CCCN3CCCC3)nc12)-c1cc(O)ccc1Cl
Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1c(Cl)ccc(O)c1F
Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)C3CCNCC3)nc12)-c1cc(O)ccc1Cl
CCN(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(O)ccc2Cl)cc1
CCN(CC)CCN1CCC(CC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(O)ccc2Cl)cc1
Cc1cc(cc2nnc(Nc3ccc(cc3)C(=O)N3CCNCC3)nc12)-c1cc(O)ccc1Cl
Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCNCC3)nc12)-c1cc(O)ccc1Cl
Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cccc2[nH]ccc12
Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1cc(O)ccc1Cl
Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1c(F)ccc(O)c1F
Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
CC(C)N(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(O)ccc2Cl)cc1
Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1ccccc1Cl
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCF)CC1
CCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1
O=C(CCCCCC(=O)N1CCC[C@@H]1c1ccco1)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 |r|
C[C@@H](NC(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1)c1ccco1 |r|
C=CC(=O)N1CCCC1c1ccco1
CCN(CC)CCOc1ccc(Nc2cc(NC(=O)Nc3c(Cl)cccc3Cl)ncn2)cc1
N[C@@H](CCCCN=CC1C(=O)Nc2ccccc12)C(O)=O |r,w:7.7|
N[C@@H](CCCCN=CC1C(=O)Nc2ccc(Br)cc12)C(O)=O |r,w:7.7|
N[C@@H](CCCN=CC1C(=O)Nc2ccc(Br)cc12)C(O)=O |r,w:6.6|
N[C@@H](CCCN=CC1C(=O)Nc2ccccc12)C(O)=O |r,w:6.6|
CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
CCCNc1nc(SC)nc2n(CC(Cl)c3ccccc3)ncc12
CCCCNc1nc(SC)nc2n(CC(Cl)c3ccccc3)ncc12
CCOCCNc1nc(SC)nc2n(CC(Cl)c3ccccc3)ncc12
CCN(CC)c1nc(SC)nc2n(CC(Cl)c3ccccc3)ncc12
CSc1nc(Nc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
CSc1nc(Nc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
CSc1nc(NCCc2ccccc2F)c2cnn(CC(Cl)c3ccccc3)c2n1
CCCNc1nc(SC)nc2n(CC(Cl)c3ccc(F)cc3)ncc12
CCCCNc1nc(SC)nc2n(CC(Cl)c3ccc(F)cc3)ncc12
CSc1nc(N2CCOCC2)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1
CSc1nc(NCc2ccc(F)cc2)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1
CSc1nc(NCc2ccccc2F)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1
CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1
CSc1nc(Nc2cccc(F)c2)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1
CCCNc1nc(SC)nc2n(CC(Cl)c3ccc(Cl)cc3)ncc12
CCCCNc1nc(SC)nc2n(CC(Cl)c3ccc(Cl)cc3)ncc12
CCN(CC)c1nc(SC)nc2n(CC(Cl)c3ccc(Cl)cc3)ncc12
CSc1nc(N2CCOCC2)c2cnn(CC(Cl)c3ccc(Cl)cc3)c2n1
CCSc1nc(N(CC)CC)c2cnn(CC(Cl)c3ccccc3)c2n1
CCCNc1nc(SCCC)nc2n(CC(Cl)c3ccccc3)ncc12
CCCCNc1nc(SCCC)nc2n(CC(Cl)c3ccccc3)ncc12
CCCSc1nc(N(CC)CC)c2cnn(CC(Cl)c3ccccc3)c2n1
CCCSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
CCCNc1nc(SC)nc2n(CC(Br)c3ccccc3)ncc12
CCCCNc1nc(SC)nc2n(CC(Br)c3ccccc3)ncc12
CCOCCNc1nc(SC)nc2n(CC(Br)c3ccccc3)ncc12
CSc1nc(N2CCCC2)c2cnn(CC(Br)c3ccccc3)c2n1
CSc1nc(N2CCCCC2)c2cnn(CC(Br)c3ccccc3)c2n1
CSc1nc(N2CCOCC2)c2cnn(CC(Br)c3ccccc3)c2n1
CSc1nc(NCc2ccccc2)c2cnn(CC(Br)c3ccccc3)c2n1
CSc1nc(NCCc2ccccc2)c2cnn(CC(Br)c3ccccc3)c2n1
CCCNc1nc(nc2n(CC(Cl)c3ccccc3)ncc12)N(C)C
CN(C)c1nc(N2CCOCC2)c2cnn(CC(Cl)c3ccccc3)c2n1
CN(C)c1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
CC(C)(C)N1CN(C(=N)c2cn[nH]c12)c1ccc(Cl)cc1
Cc1ccn(-c2ccc(cc2)-c2ncco2)c(=O)c1-c1ccc2nc(N)ncc2c1
CC1=C(C(=O)N(C=C1)c2cccc(c2)C(F)(F)F)c3ccc4c(c3)cnc(n4)N
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cncnc1
CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
O=C(Nc1ncc(Cc2ccccc2)s1)c1cccs1
O=C(Nc1nnc(COc2ccccc2)s1)c1cccs1
O=C(Nc1nnc(Cc2ccccc2)s1)c1cccs1
COc1ccc-2c(Cc3sc(NC(=O)c4cccs4)nc-23)c1
Cc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1
COc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1
Clc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)c(Cl)c1
Clc1ccc(Cl)c(Cc2cnc(NC(=O)c3cccs3)s2)c1
FC(F)(F)c1ccc(Cl)c(Cc2cnc(NC(=O)c3cccs3)s2)c1
FC(F)(F)c1cccc(Cc2cnc(NC(=O)c3cccs3)s2)c1
Cc1cccc(Cc2cnc(NC(=O)c3cccs3)s2)c1
Clc1ccc(cc1)-c1cnc(NC(=O)c2cccs2)s1
Fc1ccc(cc1)-c1cnc(NC(=O)c2cccs2)s1
Fc1ccccc1Cc1cnc(NC(=O)c2cccs2)s1
Clc1ccccc1Cc1cnc(NC(=O)c2cccs2)s1
Clc1cccc(Cc2cnc(NC(=O)c3cccs3)s2)c1
Clc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1
Fc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1
CCCP(=O)(CCC)c1ccc(Nc2nc(nc3n(\C=C\c4c(C)cccc4C)cnc23)C(C)C)cc1
Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)nc(nc12)C1CCCC1
CC(C)c1nc(Nc2ccc(cc2)P(C)(C)=O)c2ncn(\C=C\c3c(C)cccc3C)c2n1
Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)nc(Oc3cccnc3)nc12
COCCOc1nc(Nc2ccc(cc2)P(C)(C)=O)c2ncn(\C=C\c3c(C)cccc3C)c2n1
CC(C)Oc1nc(Nc2ccc(cc2)P(C)(C)=O)c2ncn(\C=C\c3c(C)cccc3C)c2n1
COc1nc(Nc2ccc(cc2)P(C)(C)=O)c2ncn(\C=C\c3c(C)cccc3C)c2n1
Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)nc(nc12)-n1ccnc1
CN1CCN(CC1)c1nc(Nc2ccc(cc2)P(C)(C)=O)c2ncn(\C=C\c3c(C)cccc3C)c2n1
Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)nc(nc12)N1CCOCC1
Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)nc(nc12)N1CCCC1
CN(C)c1nc(Nc2ccc(cc2)P(C)(C)=O)c2ncn(\C=C\c3c(C)cccc3C)c2n1
CCCP(=O)(CCC)c1ccc(Nc2ncnc3n(\C=C\c4c(C)cccc4C)cnc23)cc1
CP(C)(=O)c1ccc(Nc2ncnc3n(\C=C\c4ccccc4Cl)cnc23)cc1
Cc1cccc(Cl)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12
CCCP(=O)(CCC)c1ccc(Nc2nc(nc3n(\C=C/c4ccccc4)cnc23)C(C)C)cc1
CCCP(=O)(CCC)c1ccc(Nc2nc(nc3n(\C=C\c4ccccc4)cnc23)C(C)C)cc1
CCCP(=O)(CCC)c1ccc(Nc2nc(nc3n(\C=C/c4c(C)cccc4C)cnc23)C(C)C)cc1
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|
CN(C)CCNC(=O)\C=C\c1ccc(\C=C2/Oc3ccccc3N(C)C2=O)s1
O=C(Nc1ccc(cc1)N1CCOCC1)\C=C\c1ccc(\C=C2/Oc3ccccc3NC2=O)s1
CN1C(=O)\C(Oc2ccccc12)=C\c1ccc(\C=C\C(=O)NCc2ccncc2)s1
CN1C(=O)\C(Oc2ccccc12)=C\c1ccc(\C=C\C(=O)NCc2cccnc2)s1
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Cc1ccc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1Nc1nccc(n1)-c1cccnc1
Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)s2)cc1Nc1ncc(s1)-c1cccnc1
Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1Nc1ncc(s1)-c1cccnc1
ONC(=O)\C=C\c1ccc(s1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1
ONC(=O)\C=C\c1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1
Cc1ccc(NC(=O)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(cn1)-c1cccnc1
Nc1ccccc1NC(=O)c1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(cn2)-c2cccnc2)c1
Cc1ccc(NC(=O)c2ccc(cc2)C(=O)NO)cc1Nc1ncc(s1)-c1cccnc1
Cc1ccc(NCc2ccc(\C=C\C(=O)NO)cc2)cc1Nc1nccc(n1)-c1cccnc1
ONC(=O)c1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1
Nc1ccccc1NC(=O)c1ccc(cn1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1
Nc1ccccc1NC(=O)c1ccc(s1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1
Cc1ccc(NC(=O)c2ccc(s2)C(=O)Nc2ccccc2N)cc1Nc1ncc(s1)-c1cccnc1
Cc1ccc(NC(=O)c2ccc(s2)C(=O)Nc2ccccc2N)cc1Nc1ncc(cn1)-c1cccnc1
CN(C(=O)c1ccc(cc1)C(=O)Nc1ccccc1N)c1cccc(Nc2nccc(n2)-c2cccnc2)c1
Cc1ccc(NC(=O)c2ccc(nc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(cn1)-c1cccnc1
Cc1ccc(NC(=O)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(s1)-c1cccnc1
Cc1ccc(NC(=O)c2ccc(nc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(s1)-c1cccnc1
Nc1ccccc1NC(=O)c1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1
Nc1ccccc1NC(=O)c1ccc(CNCOC(=O)c2cccnc2)cc1
c1ccc(cc1)NC(=O)CCCCCCC(=O)NO
COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Cn1cc(cn1)-c1cnc(Nc2cccc(Cn3nc(ccc3=O)-c3cnn(C)c3)c2)nc1
CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC1CCCCC1)C(N)=O
CN(CCCC1CCCCC1)C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(cc1)P(O)(O)=O)NC(C)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(cc1)P(O)(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
CNc1nc(Nc2ccc(C)c(N)c2)ncc1C(=O)Nc1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
OC(=O)c1ccccc1C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(n1)-c1cccnc1
COC(=O)c1cccc(Nc2nccc(n2)-c2cccnc2)c1
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccc(cc1)C#N
Nc1cccc(Nc2nccc(n2)-c2ccncc2)c1
OC(=O)c1cccc(Nc2nccc(n2)-c2cccnc2)c1
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccncc1
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)C1CCCCC1
Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1Nc1nccc(n1)-c1cccnc1
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1cccs1
[O-][N+](=O)c1cccc(Nc2nccc(n2)-c2ccncc2)c1
FC(F)C(F)(F)Oc1cccc(Nc2nccc(n2)-c2ccncc2)c1
Clc1cccc(Nc2nccc(n2)-c2cccnc2)c1
CC(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccn1
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccc1
N(c1ccccc1)c1nccc(n1)-c1cccnc1
Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(n1)-c1cccnc1
[O-][N+](=O)c1cccc(Nc2nccc(n2)-c2cccnc2)c1
FC(F)C(F)(F)Oc1cccc(Nc2nccc(n2)-c2c[nH]c3ccccc23)c1
Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(Nc3nccc(n3)-c3cccnc3)c2)CC1
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1cccnc1
NCCCn1ccc2c(cccc12)-c1ccnc(Nc2cccc(OC(F)(F)C(F)F)c2)n1
Cc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
C(Cn1ccnc1)Oc1cccc(Nc2nccc(n2)-c2cccnc2)c1
COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
NCCCNC(=O)c1cccc(Nc2nccc(n2)-c2cccnc2)c1
COc1ccccc1C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
N(c1cccc(c1)-n1ccnc1)c1nccc(n1)-c1cccnc1
Fc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
FC(F)C(F)(F)Oc1cccc(Nc2nccc(n2)-c2ccc(Cl)cc2)c1
[O-][N+](=O)c1cccc(Nc2nccc(n2)-c2ccccn2)c1
CCCCCC(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
Cc1ccc(N)cc1Nc1nccc(n1)-c1cccnc1
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,)|
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,)|
[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,)|
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,)|
CC(NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(Cl)c1
CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1c(Cl)cncc1Cl
CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F
CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1
CC(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1
CC(C)C(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1
FC(F)(F)c1cc(NC(=O)CNc2ccc(cc2)-c2ccc(NC(=O)C3CC3)nc2)ccc1CN1CCNCC1
CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Nc1nc(Nc2ccc3CC[C@@H](CCc3c2)N2CCCC2)nn1-c1cc2CCCc3ccccc3-c2nn1 |r|
COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1
Cc1nn(-c2ccccc2)c2nc(CCl)n(C)c(=O)c12
Cc1nn(-c2ccccc2)c2nc(CCl)n(CC#N)c(=O)c12
CCOC(=O)Cn1c(CCl)nc2n(nc(C)c2c1=O)-c1ccccc1
Cc1nn(-c2ccccc2)c2nc(CCl)n(Cc3ccccc3)c(=O)c12
COCc1nc2n(nc(C)c2c(=O)[nH]1)-c1ccccc1
CCOCc1nc2n(nc(C)c2c(=O)[nH]1)-c1ccccc1
CCCOCc1nc2n(nc(C)c2c(=O)[nH]1)-c1ccccc1
COCc1nc2n(nc(C)c2c(=O)n1C)-c1ccccc1
COCc1nc2n(nc(C)c2c(=O)n1CC#N)-c1ccccc1
CCOC(=O)Cn1c(COC)nc2n(nc(C)c2c1=O)-c1ccccc1
COCc1nc2n(nc(C)c2c(=O)n1Cc1ccccc1)-c1ccccc1
CCOCc1nc2n(nc(C)c2c(=O)n1C)-c1ccccc1
CCOCc1nc2n(nc(C)c2c(=O)n1CC#N)-c1ccccc1
CCOCc1nc2n(nc(C)c2c(=O)n1CC(=O)OCC)-c1ccccc1
CCOCc1nc2n(nc(C)c2c(=O)n1Cc1ccccc1)-c1ccccc1
Cc1nn(-c2ccccc2)c2nc(CNc3ccccc3)[nH]c(=O)c12
Cc1nn(-c2ccccc2)c2nc(CNc3ccc(C)cc3)[nH]c(=O)c12
Cc1nn(-c2ccccc2)c2nc(CNc3ccc(O)cc3)[nH]c(=O)c12
Cc1nn(-c2ccccc2)c2nc(CNc3ccc(cc3)C(O)=O)[nH]c(=O)c12
Cc1nn(-c2ccccc2)c2nc(CNc3ccccc3)n(C)c(=O)c12
Cc1nn(-c2ccccc2)c2nc(CNc3ccc(O)cc3)n(C)c(=O)c12
Cc1nn(-c2ccccc2)c2nc(CNc3ccccc3)n(CC#N)c(=O)c12
Cc1nn(-c2ccccc2)c2nc(CNc3ccc(O)cc3)n(CC#N)c(=O)c12
CCN(CC)Cc1nc2n(nc(C)c2c(=O)[nH]1)-c1ccccc1
Cc1nn(-c2ccccc2)c2nc(CN3CCCCC3)[nH]c(=O)c12
Cc1nn(-c2ccccc2)c2nc(CN3CCOCC3)[nH]c(=O)c12
CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21
CCOC(Cn1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc12)OCC
Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCN(C)CC2)c2ncnc(N)c12
Cc1ccc(cc1\C=C\n1cnc2cncnc12)C(=O)Nc1cc(ccn1)C(F)(F)F
CNc1ncnc2n(CCc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cnc12
CNc1ncnc2n(\C=C\c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cnc12
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(NC3CC3)ncnc12
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(Nc3ccccn3)ncnc12
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(Nc3cccnc3)ncnc12
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(Nc3ccncc3)ncnc12
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(Nc3ccncn3)ncnc12
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12
CN(C)CCCNc1ncnc2n(\C=C\c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cnc12
Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(NC3CC3)ncnc12
Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(ccc1F)C(F)(F)F
Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cccc(c1)C(C)(C)C
CC(C)c1cccc(NC(=O)c2ccc(C)c(\C=C\n3cnc4c(NC5CC5)ncnc34)c2)c1
Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1ncc(s1)C(C)(C)C
Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(on1)C(C)(C)C
Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(nn1C)C(C)(C)C
Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(ccn1)C(F)(F)F
Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1ccnc1
Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)N1CCOCC1
CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(\C=C\n3cnc4c(NC5CC5)ncnc34)c2)cc(c1)C(F)(F)F
C1CCC(CC1)Nc1ncnc2n(\C=C\c3ccccc3)ncc12
C1CCCN(CC1)c1ncnc2n(\C=C\c3ccccc3)ncc12
CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
CSc1nc(NCc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20|
CSc1nc(NCc2ccccc2F)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20|
CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1 |w:18.19|
CSc1nc(NCc2ccc(F)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20|
COc1ccc(CNc2nc(SC)nc3n(CC(Cl)c4ccccc4)ncc23)cc1
CSc1nc(NCc2ccccc2Cl)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20|
CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccc(Cl)cc3)c2n1 |w:18.19|
CCSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:20.21|
CSc1nc(NCCc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:20.21|
CCSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20|
CCCSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:20.21|
CSc1nc(NCCc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:20.21|
CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:18.19|
CSc1nc(NCCc2ccc(Cl)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1
CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1 |w:18.19|
CSc1nc(NCCc2ccc(C)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:20.21|
CSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccc(Cl)cc3)c2n1 |w:19.20|
CSc1nc(NCCc2ccccc2Cl)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:20.21|
CNCCOc1ccc(cc1)-c1sc2nc(nc(NN3C(=O)C=C(C)C3=O)c2c1C)-c1cccs1
CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1
COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
COc1ccc(cc1)C(=O)NNc1nc2n(ncc2c(=O)n1-c1ccccc1)-c1ccccc1
O=C(NNc1nc2n(ncc2c(=O)n1-c1ccccc1)-c1ccccc1)c1ccccc1
O=c1n(-c2ccccc2)c2nnc(-c3ccccc3)n2c2n(ncc12)-c1ccccc1
O=c1n(-c2ccccc2)c2nnc(Nc3ccccc3)n2c2n(ncc12)-c1ccccc1
Clc1ccc(cc1)C(=O)NNc1nc2n(ncc2c(=O)n1-c1ccccc1)-c1ccccc1
COc1ccc(cc1)-c1nnc2n(-c3ccccc3)c(=O)c3cnn(-c4ccccc4)c3n12
Fc1ccc(\C=N\Nc2nc3n(ncc3c(=O)n2-c2ccccc2)-c2ccccc2)cc1
Fc1cccc(CNc2ncnc3n(CC(Cl)c4ccccc4)ncc23)c1 |w:15.15|
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(19.66,-4.1,;20.99,-3.33,;21,-1.79,;22.32,-1.02,;23.66,-1.79,;23.67,-3.33,;22.33,-4.1,;24.99,-1.02,;24.99,.52,;26.33,-1.79,;26.32,-3.33,;27.66,-4.1,;28.99,-3.33,;30.33,-4.1,;31.66,-3.33,;31.65,-1.79,;32.98,-1.02,;34.32,-1.78,;35.65,-1.02,;36.98,-1.78,;38.3,-1,;38.29,.53,;36.95,1.29,;39.62,1.31,;40.96,.54,;40.97,-1,;39.64,-1.77,;39.64,-3.31,;36.98,-3.32,;38.32,-4.09,;35.65,-4.09,;35.65,-5.63,;34.32,-3.33,;32.99,-4.1,;28.99,-1.78,;27.65,-1.02,)|
Cn1c2nc(Nc3ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(11.49,-5.91,;11.49,-4.37,;10.16,-3.6,;8.83,-4.37,;7.5,-3.6,;6.17,-4.37,;4.84,-3.6,;3.5,-4.38,;2.17,-3.61,;2.17,-2.06,;.83,-1.29,;-.5,-2.06,;-.5,-3.6,;-1.83,-1.29,;-3.17,-2.06,;-4.5,-1.29,;-5.83,-2.06,;-5.83,-3.6,;-7.17,-1.29,;-8.5,-2.06,;-9.84,-1.29,;-8.5,-3.6,;-9.85,-2.82,;3.5,-1.29,;4.83,-2.05,;7.49,-2.06,;8.82,-1.29,;10.16,-2.06,;11.49,-1.29,;12.82,-2.05,;14.14,-1.28,;14.13,.26,;12.8,1.02,;15.46,1.03,;16.8,.27,;16.81,-1.27,;15.48,-2.05,;15.48,-3.59,;12.83,-3.6,;14.16,-4.36,)|
Cn1c2nc(Nc3ccc(NCC(O)CO)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(15.19,-18.34,;15.19,-16.8,;13.86,-16.03,;12.53,-16.81,;11.2,-16.04,;9.87,-16.81,;8.53,-16.04,;7.19,-16.81,;5.86,-16.04,;5.86,-14.5,;4.53,-13.73,;3.19,-14.5,;1.86,-13.73,;1.86,-12.19,;.53,-14.5,;-.81,-13.73,;7.19,-13.73,;8.53,-14.49,;11.19,-14.5,;12.51,-13.73,;13.86,-14.49,;15.18,-13.72,;16.52,-14.49,;17.84,-13.71,;17.83,-12.18,;16.49,-11.42,;19.15,-11.4,;20.5,-12.17,;20.5,-13.71,;19.17,-14.48,;19.18,-16.02,;16.52,-16.03,;17.86,-16.8,)|
Cn1c2nc(Nc3ccc(NC(=O)CCN)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(28.74,-40.46,;28.74,-38.92,;27.41,-38.15,;26.08,-38.92,;24.76,-38.15,;23.42,-38.92,;22.09,-38.15,;20.75,-38.93,;19.42,-38.15,;19.42,-36.61,;18.08,-35.84,;16.75,-36.61,;16.75,-38.15,;15.42,-35.84,;14.08,-36.61,;12.75,-35.84,;20.75,-35.84,;22.08,-36.6,;24.74,-36.61,;26.07,-35.84,;27.41,-36.61,;28.74,-35.84,;30.07,-36.6,;31.39,-35.83,;31.39,-34.29,;30.05,-33.53,;32.71,-33.51,;34.06,-34.28,;34.06,-35.82,;32.73,-36.59,;32.74,-38.13,;30.08,-38.15,;31.41,-38.91,)|
CN1c2c(cnc(n2)Nc3cccc(c3)CO)C=C(C1=O)c4c(cccc4Cl)Cl
CCc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-9.87,-15.85,;-8.54,-16.62,;-7.21,-15.85,;-7.2,-14.3,;-5.88,-13.53,;-4.54,-14.3,;-4.54,-15.85,;-3.2,-16.61,;-1.87,-15.84,;-1.88,-14.31,;-.55,-13.53,;.79,-14.3,;2.12,-13.53,;3.45,-14.29,;4.77,-13.52,;4.76,-11.99,;3.42,-11.22,;6.09,-11.21,;7.43,-11.97,;7.44,-13.51,;6.11,-14.29,;6.11,-15.83,;3.45,-15.84,;4.79,-16.61,;2.12,-16.61,;2.12,-18.15,;.79,-15.84,;-.54,-16.61,;-5.87,-16.62,)|
Cn1c2nc(Nc3cccc(COCC(O)CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(27.07,-18.27,;27.07,-16.73,;25.74,-15.96,;24.41,-16.73,;23.08,-15.96,;21.75,-16.73,;20.42,-15.96,;20.41,-14.41,;19.08,-13.65,;17.75,-14.42,;17.74,-15.96,;16.41,-16.73,;15.08,-15.96,;13.74,-16.73,;12.41,-15.96,;12.41,-14.42,;11.08,-16.73,;9.74,-15.96,;19.08,-16.74,;23.07,-14.42,;24.4,-13.65,;25.74,-14.42,;27.07,-13.65,;28.4,-14.41,;29.72,-13.64,;29.71,-12.1,;28.37,-11.34,;31.04,-11.32,;32.38,-12.09,;32.39,-13.63,;31.06,-14.4,;31.06,-15.94,;28.41,-15.96,;29.74,-16.72,)|
Cn1c2nc(Nc3cccc(N)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(1.69,-30.93,;1.69,-29.39,;.36,-28.62,;-.97,-29.39,;-2.3,-28.62,;-3.63,-29.39,;-4.96,-28.63,;-4.97,-27.08,;-6.3,-26.31,;-7.63,-27.08,;-7.63,-28.63,;-8.97,-29.4,;-6.3,-29.4,;-2.31,-27.09,;-.98,-26.31,;.36,-27.08,;1.69,-26.31,;3.02,-27.07,;4.34,-26.3,;4.33,-24.76,;3,-24,;5.66,-23.99,;7,-24.75,;7.01,-26.29,;5.68,-27.07,;5.68,-28.61,;3.03,-28.62,;4.36,-29.39,)|
CC(=O)Nc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(11.58,-29.56,;12.91,-28.79,;12.92,-27.25,;14.25,-29.56,;15.58,-28.79,;15.58,-27.25,;16.91,-26.47,;18.25,-27.24,;18.25,-28.79,;19.59,-29.56,;20.92,-28.78,;20.91,-27.25,;22.24,-26.47,;23.58,-27.24,;24.91,-26.47,;26.24,-27.23,;27.56,-26.46,;27.55,-24.93,;26.21,-24.17,;28.88,-24.15,;30.22,-24.91,;30.23,-26.46,;28.9,-27.23,;28.9,-28.77,;26.24,-28.78,;27.58,-29.55,;24.91,-29.55,;24.91,-31.09,;23.58,-28.78,;22.25,-29.55,;16.92,-29.56,)|
Cn1c2nc(Nc3ccc(O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-8.15,-6.59,;-9.48,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
Cn1c2nc(Nc3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(23.87,-44.74,;23.87,-43.2,;22.54,-42.43,;21.22,-43.2,;19.89,-42.43,;18.55,-43.21,;17.22,-42.44,;15.88,-43.21,;14.55,-42.44,;14.55,-40.9,;13.22,-40.13,;13.22,-38.59,;14.55,-37.82,;14.56,-36.29,;15.89,-35.52,;15.9,-33.98,;13.23,-35.51,;13.23,-33.97,;11.89,-36.28,;10.56,-35.5,;11.88,-37.82,;10.55,-38.59,;15.88,-40.12,;17.21,-40.89,;19.87,-40.9,;21.2,-40.12,;22.55,-40.89,;23.87,-40.12,;25.2,-40.88,;26.52,-40.11,;26.52,-38.58,;25.18,-37.82,;27.84,-37.8,;29.19,-38.56,;29.19,-40.11,;27.86,-40.88,;27.87,-42.42,;25.21,-42.43,;26.54,-43.2,)|
Cn1c2nc(Nc3ccc(I)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(2.42,-5.46,;2.42,-3.92,;1.09,-3.15,;-.24,-3.92,;-1.56,-3.15,;-2.9,-3.92,;-4.23,-3.15,;-5.57,-3.93,;-6.9,-3.15,;-6.9,-1.61,;-8.24,-.84,;-5.57,-.84,;-4.24,-1.6,;-1.58,-1.61,;-.25,-.84,;1.09,-1.61,;2.42,-.84,;3.75,-1.6,;5.07,-.83,;5.07,.71,;3.73,1.47,;6.39,1.49,;7.74,.72,;7.74,-.82,;6.41,-1.59,;6.42,-3.13,;3.76,-3.15,;5.09,-3.91,)|
Cn1c2nc(Nc3ccc(F)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.18,-.45,;-.18,1.09,;-1.51,1.86,;-2.84,1.08,;-4.18,1.85,;-5.51,1.08,;-6.84,1.86,;-6.84,3.4,;-8.18,4.17,;-9.51,3.4,;-10.84,4.17,;-9.51,1.86,;-8.18,1.08,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,)|
Cc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.15,-6.59,;-8.15,-5.05,;-9.48,-4.28,;-9.48,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-6.82,-2.74,;-6.82,-4.28,)|
Cn1c2nc(Nc3ccc(CCO)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(25.94,-17.71,;25.94,-16.17,;24.6,-15.4,;23.28,-16.18,;21.95,-15.41,;20.62,-16.18,;19.28,-15.41,;17.94,-16.18,;16.61,-15.41,;16.61,-13.87,;15.28,-13.1,;15.28,-11.56,;13.94,-10.79,;17.94,-13.1,;19.27,-13.86,;21.94,-13.87,;23.26,-13.1,;24.61,-13.86,;25.93,-13.09,;27.26,-13.86,;28.59,-13.08,;28.58,-11.55,;27.24,-10.79,;29.9,-10.77,;31.25,-11.54,;31.25,-13.08,;29.92,-13.85,;29.93,-15.39,;27.27,-15.4,;28.6,-16.17,)|
Cn1c2nc(Nc3ccc(N)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(3.54,-27.86,;3.54,-26.32,;2.21,-25.55,;.88,-26.33,;-.44,-25.56,;-1.78,-26.33,;-3.11,-25.56,;-4.45,-26.33,;-5.78,-25.56,;-5.78,-24.02,;-7.12,-23.25,;-4.45,-23.25,;-3.12,-24.01,;-.46,-24.02,;.87,-23.25,;2.21,-24.01,;3.54,-23.24,;4.87,-24.01,;6.19,-23.23,;6.19,-21.7,;4.85,-20.94,;7.51,-20.92,;8.86,-21.69,;8.86,-23.23,;7.53,-24,;7.54,-25.54,;4.88,-25.55,;6.21,-26.32,)|
CC(=O)Nc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(12.66,-24.01,;14,-24.78,;14,-26.32,;15.33,-24.01,;16.67,-24.78,;16.66,-26.32,;18,-27.1,;19.33,-26.32,;20.67,-27.09,;22,-26.32,;21.99,-24.78,;23.32,-24.01,;24.66,-24.78,;25.99,-24.01,;27.32,-24.77,;28.64,-24,;28.63,-22.46,;27.29,-21.7,;29.96,-21.68,;31.3,-22.45,;31.31,-23.99,;29.98,-24.76,;29.98,-26.3,;27.32,-26.32,;28.66,-27.08,;25.99,-27.09,;25.99,-28.63,;24.66,-26.32,;23.33,-27.09,;19.33,-24.77,;17.99,-24.01,)|
Cn1c2nc(Nc3ccc(NC(=O)CCl)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(4.94,-40.11,;4.94,-38.57,;3.61,-37.8,;2.28,-38.57,;.96,-37.8,;-.38,-38.57,;-1.71,-37.8,;-3.05,-38.58,;-4.38,-37.8,;-4.38,-36.26,;-5.72,-35.49,;-7.05,-36.26,;-7.05,-37.8,;-8.38,-35.49,;-9.72,-36.26,;-3.05,-35.49,;-1.72,-36.25,;.94,-36.26,;2.27,-35.49,;3.61,-36.26,;4.94,-35.49,;6.27,-36.25,;7.59,-35.48,;7.59,-33.94,;6.25,-33.18,;8.91,-33.16,;10.26,-33.93,;10.26,-35.47,;8.93,-36.24,;8.94,-37.78,;6.28,-37.8,;7.61,-38.56,)|
Cn1c2nc(Nc3cccc(O)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-10.82,-5.05,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
NC(=O)c1c(N)c([nH]c1-c1ccc(Oc2ccccc2)cc1)C(=O)c1c(F)cccc1F
C[C@@H](Oc1ccc2ncc(\C=C\C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1ccc2ncccc2c1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1ccc2ncc(cc2c1)C1CC1C(N)=O)c1c(Cl)ccc(F)c1Cl |r|
CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO
[2H]C([2H])([2H])N5CCN(Cc4ccc(C(=O)Nc3ccc(C)c(Nc2nccc(c1cccnc1)n2)c3)cc4)CC5
CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccccn3)c2)CC1
CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3cncc(C)c3)c2)CC1
CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccncc3)c2)CC1
CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1
CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3cnccc3C)c2)CC1
CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(\C=C\N3CNc4c3ncnc4NC3CC3)c2)cc(c1)C(F)(F)F
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2cc(nn12)-c1ccncc1
Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Fc1cc(cc(F)c1CN1CCOCC1)-c1cccc2ncc(nc12)-c1cnn(c1)C1CCNCC1
CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
COc1cc(Nc2c(cnc3cc(\C=C\CCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1ccc(cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1
CCn1cnc2c(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)nc(nc12)[C@H]1CC[C@H](N)CC1 |r,wU:26.28,wD:29.32,(30.94,-9.82,;29.4,-9.81,;28.64,-8.49,;29.54,-7.24,;28.63,-6,;27.17,-6.48,;25.83,-5.71,;25.82,-4.17,;27.15,-3.4,;28.49,-4.17,;29.82,-3.4,;29.82,-1.86,;28.47,-1.09,;27.14,-1.87,;31.15,-1.08,;31.03,-2.56,;31.14,.46,;32.48,-1.85,;33.81,-1.07,;35.15,-1.84,;33.8,-2.61,;33.81,.47,;24.5,-6.48,;24.5,-8.02,;25.83,-8.79,;27.17,-8.02,;23.17,-8.79,;23.17,-10.33,;21.82,-11.1,;20.49,-10.33,;19.16,-11.1,;20.49,-8.79,;21.82,-8.01,)|
CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl
Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CC(C)COC(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1ccc(cc1)N1CCN(C)CC1
Fc1ccc(cc1)C(Cl)Cn1ncc2c(Nc3cccc(F)c3)ncnc12
O=C(CSc1nc2CCCCc2c(-c2ccsc2)c1C#N)c1ccccc1
Nc1nc(SCC(=O)c2ccccc2)c(C#N)c(-c2ccsc2)c1C#N
Nc1nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c(-c2ccsc2)c1C#N
Fc1ccc(CSc2nc3CCCCc3c(-c3cccs3)c2C#N)cc1
N#Cc1c(SCc2ccccc2)nc2CCCCc2c1-c1cccs1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(\C=C\n3cnc4c(N)ncnc34)c2)cc(c1)C(F)(F)F
Cc1ccc(cc1C#Cn1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(ccn1)C(F)(F)F
Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C
Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(on1)C(F)(F)F
Cc1ccc(cc1C#Cn1cnc2c(NC3CC3)cccc12)C(=O)Nc1cc(on1)C(F)(F)F
Cc1ccc(cc1C#Cc1cnc2c(N)cccn12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1ccnc1
CC(=O)Nc1cccn2c(cnc12)C#Cc1cc(ccc1C)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1ccnc1
Cc1ccc(cc1C#Cc1cnc2ccccn12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1ccnc1
CN(C)Cc1nccn1-c1cc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3ccccn23)cc(c1)C(F)(F)F
Cc1ccc(cc1C#Cc1cnc2ccccn12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(CN2CCCC2)c1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ccccn34)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cnc3ccccn23)CC1
CN1CCN(Cc2cc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ccccn34)cc(c2)C(F)(F)F)CC1
Cc1ccc(cc1C#Cc1cnc2ccccn12)C(=O)Nc1ccc(CN2CCOCC2)c(c1)C(F)(F)F
CN(C)[C@H]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ccccn34)cc2C(F)(F)F)C1 |r|
CN1CCCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ccccn34)cc2C(F)(F)F)CC1
CN1CCC(CC1)Oc1ccc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3ccccn23)cc1C(F)(F)F
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ccccn34)cc2C(F)(F)F)CC1
CC(C)N1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ccccn34)cc2C(F)(F)F)CC1
Cc1ccc(cc1C#Cc1cnc2ccccn12)C(=O)Nc1ccc(CN2CCN(CCO)CC2)c(c1)C(F)(F)F
Cc1ccc(cc1C#Cc1cnc2ccccn12)C(=O)Nc1ccc(CN2CCN(CCF)CC2)c(c1)C(F)(F)F
Cc1ccc(cc1C#Cc1cnc2ccccn12)C(=O)Nc1ccc(CN2CCNCC2)c(c1)C(F)(F)F
CC1CN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ccccn34)cc2C(F)(F)F)CCN1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4[nH]ccc4c3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4nc[nH]c4c3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4[nH]c(=O)[nH]c4c3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4NC(=O)COc4c3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ncccn34)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cnccn34)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCN(CCO)CC2)c(c1)C(F)(F)F
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCNCC2)c(c1)C(F)(F)F
CN1CCN(Cc2ccc(NC(=O)c3cccc(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(F)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2Cl)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C2CC2)CC1
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1cccc(c1)C(F)(F)F
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(CCc4cnc5cccnn45)c3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(\C=C\c4cnc5cccnn45)c3)cc2C(F)(F)F)CC1
CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
CN1C(=O)N(Cc2cnc(Nc3ccccc3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)CC1
FC(F)(F)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)ccc1Cl
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1)C(C)(C)C
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)cc2)ccn1
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1
FC(F)(F)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)ccc1Cl
[O-][N+](=O)c1ccc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1
Clc1ccc(Cn2cc(CCC(=O)Nc3ccncc3)c3ccccc23)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|
CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 |r|
CN1C[C@@H]2C[C@H]1CN2c1cc(F)c(c(F)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |r,wU:3.3,5.4,(24.13,-33.61,;24.13,-35.15,;22.8,-35.94,;22.81,-37.47,;23.89,-36.37,;25.47,-35.92,;25.48,-37.46,;24.14,-38.23,;24.15,-39.77,;22.82,-40.55,;22.83,-42.09,;21.5,-42.86,;24.16,-42.85,;25.5,-42.07,;26.83,-42.84,;25.49,-40.53,;24.17,-44.38,;22.84,-45.15,;22.84,-46.7,;24.17,-47.47,;25.51,-46.7,;26.98,-47.18,;27.89,-45.92,;26.98,-44.67,;25.51,-45.15,;29.43,-45.92,;30.2,-47.26,;31.74,-47.26,;32.51,-45.92,;31.73,-44.58,;30.2,-44.59,;27.46,-48.64,;28.96,-48.96,;29.44,-50.42,;28.41,-51.57,;26.9,-51.25,;25.65,-52.15,;24.41,-51.24,;24.9,-49.78,;26.43,-49.79,)|
COc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
ONC(=O)\C=C\c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
ONC(=O)\C=C\c1ccc(s1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
ONC(=O)\C=C\c1cccc(c1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
ONC(=O)\C=C\c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Nc1ccccc1NC(=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Nc1ccccc1NC(=O)c1ccc(s1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Nc1ccccc1NC(=O)\C=C\c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Nc1ccccc1NC(=O)\C=C\c1cccc(c1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Nc1ccccc1NC(=O)CCc1ccc(cc1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
ONC(=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
ONC(=O)c1ccc(s1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
c1cc(c(cc1[N+](=O)[O-])Cl)NC(=O)c2cc(ccc2O)Cl
CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|
CC(=O)NC[C@H]1CC[C@@H](CC1)c1nc(-c2cc3ccccc3[nH]2)c2c(N)nccn12 |r,wU:8.11,wD:5.4,(30.4,-52.78,;31.44,-51.63,;32.94,-51.96,;30.97,-50.17,;32,-49.03,;31.53,-47.56,;32.56,-46.41,;32.09,-44.94,;30.58,-44.63,;29.54,-45.77,;30.01,-47.24,;30.1,-43.16,;31.01,-41.9,;30.1,-40.65,;30.58,-39.19,;29.67,-37.94,;30.58,-36.7,;30.27,-35.2,;31.41,-34.17,;32.87,-34.65,;33.19,-36.15,;32.04,-37.18,;32.04,-38.72,;28.62,-41.13,;27.29,-40.37,;27.29,-38.83,;25.96,-41.14,;25.96,-42.68,;27.29,-43.45,;28.63,-42.68,)|
CN(C)C(=O)N1CCC(CC1)c1nc(-c2cc3ccccc3[nH]2)c2c(N)nccn12
Cc1ccc(NC(=O)c2ccc(CCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Cc1ccc(NC(=O)c2ccc(CN)cc2)cc1Nc1nccc(n1)-c1cccnc1
Cc1ccc(NC(=O)c2ccc(CNC(=O)CCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
C\C=C\C(=O)NCc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
CC(=C)C(=O)NCc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
CC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
ClC(Cn1ncc2c(NCc3ccncc3)ncnc12)c1ccc(Cl)cc1
ClC(Cn1ncc2c(NCc3ccccn3)ncnc12)c1ccc(Cl)cc1
CS(=O)(=O)c1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
CCCNc1nc(nc2n(\C=C/c3ccccc3)ncc12)S(C)(=O)=O
OCCNc1nc(NCCc2ccccc2)c2cnn(\C=C/c3ccccc3)c2n1
Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccncc3)ncnc12
Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccccn3)ncnc12
Fc1ccc(CNc2ncnc3n(CC(Cl)c4ccc(Cl)cc4)ncc23)cc1 |w:14.14|
ClC(Cn1ncc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCOCC1)c1ccccc1
CCCNc1nc(SCCN2CCOCC2)nc2n(CC(Cl)c3ccccc3)ncc12
ClC(Cn1ncc2c(NCc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Fc1ccc(CNc2nc(SCCN3CCOCC3)nc3n(CC(Cl)c4ccccc4)ncc23)cc1
ClC(Cn1ncc2c(NCCc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1
CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc(NC(C)=O)s3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc(N)s3)cc2C(F)(F)F)CC1
Cc1ccc(cc1C#Cc1cnc(C(N)=O)n1C)C(=O)Nc1ccc(CN2CCN(CC(O)=O)CC2)c(c1)C(F)(F)F
COCCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc(C(N)=O)n3C)cc2C(F)(F)F)CC1
Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)N)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc(C(=O)NCCO)n3C)cc2C(F)(F)F)CC1
CNC(=O)c1ncc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)n1C
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc(C(N)=O)n3C)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc(C)n3C)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncn3C)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc[nH]3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc(NC4CC4)nc3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3ccc(nc3)C(N)=O)cc2C(F)(F)F)CC1
CCC(=O)Nc1ccc(cn1)C#Cc1cc(ccc1C)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncnc3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cccnc3)cc2C(F)(F)F)CC1
Nc1n(nc2cc([nH]c(=O)c12)-c1ccccc1)-c1ccccc1
CN1CCN(CC1)c1ccc(cc1)-c1cc2n(C)nc(N)c2c(=O)[nH]1
Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4scc(-c5ccccc5)c34)c(F)c2)c1=O
CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
CSc1nc(NCc2ccccc2F)c2cnn(CC(C)c3ccccc3)c2n1
CSc1nc(NCc2ccc(F)cc2)c2cnn(CC(C)c3ccccc3)c2n1
CSc1nc(NCc2ccccc2Cl)c2cnn(CC(C)c3ccccc3)c2n1
CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1
Fc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1
CSc1nc(NCc2cccc(Br)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
ClC(Cn1ncc2c(Nc3cccc(Cl)c3)ncnc12)c1ccccc1 |w:1.0|
ClC(Cn1ncc2c(NCc3ccccc3)ncnc12)c1ccccc1
Fc1ccccc1CNc1ncnc2n(CC(Cl)c3ccccc3)ncc12 |w:16.17|
Fc1ccc(CNc2ncnc3n(CC(Cl)c4ccccc4)ncc23)cc1 |w:14.14|
CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl
CSc1nc(NCc2ccccc2)c2ccn(Cc3ccc(F)cc3)c2n1
CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)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,)|
Cc1ccc(NC(=O)c2ccc(N)c(N)c2)cc1Nc1nccc(n1)-c1cccnc1
CSc1cccc(c1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C
Fc1ccc2[nH]c(cc2c1)C(=O)N1C[C@]2(CCN(C2)C2CCCNC2)c2ccccc12 |r|
Fc1ccc2cc([nH]c2c1)C(=O)N1C[C@]2(CCN(C2)C2CCNC2)c2ccccc12 |r|
C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccccc3[nH]1)c1ccccc21 |r|
C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccc(F)cc3[nH]1)c1ccccc21 |r|
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(c3)C#Cc3cncc(c3)N3CCOCC3)cc2C(F)(F)F)CC1
Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1
COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@@H](O)CO |r|
COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@H](O)CO |r|
Nc1nc(Nc2ccc(cc2)[C@H]2CC[C@@H](CC2)N2CCOCC2)nn1-c1ccccn1 |r,wU:11.11,wD:14.18,(-9.05,.18,;-7.58,.64,;-7.09,2.1,;-5.55,2.08,;-4.8,3.43,;-3.26,3.44,;-2.48,2.12,;-.94,2.14,;-.18,3.48,;-.98,4.81,;-2.52,4.79,;1.35,3.5,;2.1,4.85,;3.65,4.86,;4.44,3.53,;3.68,2.19,;2.14,2.18,;5.97,3.55,;6.75,2.22,;8.29,2.23,;9.05,3.57,;8.27,4.9,;6.73,4.89,;-5.09,.62,;-6.35,-.28,;-6.36,-1.81,;-5.04,-2.59,;-5.05,-4.13,;-6.39,-4.89,;-7.72,-4.11,;-7.71,-2.57,)|
COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12
CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
Cc1c2ccc(cc2[nH]n1)Nc3nc4ccoc4c(n3)NC5CC5
FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12
CN1CCN(CCOC(=O)N(c2cccc(Br)c2)c2nc(SCCN3CCOCC3)nc3n(CC(Cl)c4ccccc4)ncc23)CC1
CSc1nc(N(C(=O)OCCN2CCN(C)CC2)c2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1
CSc1nc(N(C(=O)OC(C)CN2CCN(C)CC2)c2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1
CSc1nc(N(C(=O)OC(CN2CCN(C)CC2)Cc2ccccc2)c2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1
ClC(Cn1ncc2c(Nc3ccccc3)ncnc12)c1ccc(Br)cc1
C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccc2ocnc2c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(Cl)ccc1O |r|
OC[C@H](Nc1cnc(-c2cc(Cl)ccc2O)c(c1)-c1ccc2cnccc2c1)c1ccccc1 |r|
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1ccc(F)cc1O |r|
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(F)ccc1O |r|
CC(c1cc2cc(cnc2cc1F)-c1cnn(C)c1)n1nnc2ncc(nc12)-c1cnn(CCO)c1
Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1
NC(=S)C(Cc1ccc(O)c(O)c1)C#N
C=C(CN1CCCCC1)C(=O)c1ccc(OCc2ccccc2)cc1
CN(C)CC(CSc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1
CN(C)CC(CSc1ccc(C)c(C)c1)C(=O)c1ccc(OCc2ccccc2)cc1
CN(C)CC(=C)C(=O)c1ccc(OS(=O)(=O)c2ccc(cc2)C(=O)N(C)C)cc1
CN(C)CC(=C)C(=O)c1ccc(OCc2ccccc2)c(O)c1
COC(=O)c1ccccc1SCC(CN(C)C)C(=O)c1ccc(OCc2ccccc2)cc1
CN(C)CC(=C)C(=O)c1ccc(OS(=O)(=O)c2ccc(cc2)C(O)=O)cc1
CN(C)CC(=C)C(=O)c1ccc(OCc2ccccc2)cc1
C=C(CN1CCOCC1)C(=O)c1ccc(OCc2ccccc2)cc1
CN(C)CCC(=O)c1ccc(OCc2ccccc2)c(O)c1
O=C(CCN1CCOCC1)c1ccc(OCc2ccccc2)cc1
CN(C)CC(CSCCN)C(=O)c1ccc(OCc2ccccc2)cc1
CN(C)CCC(=O)c1ccc(OCc2ccccc2)cc1
C=C(CN1CCNCC1)C(=O)c1ccc(OCc2ccccc2)cc1
CN(C)CC(=C)C(=O)c1ccc(OS(=O)(=O)c2ccc(C(O)=O)c(O)c2)cc1
O=C(CCN1CCCCC1)c1ccc(OCc2ccccc2)cc1
CN(C)CC(=C)C(=O)c1ccccc1
CN(C)CCCC(=O)c1ccc(OCc2ccccc2)cc1
CN(C)CC(CNNC(N)=O)C(=O)c1ccc(OCc2ccccc2)cc1
CCOC(=O)C1CCN(CCC(=O)c2ccc(OCc3ccccc3)cc2)CC1
NC(=O)C1CCN(CC1)c1ccc(cn1)C(F)(F)F
Nc1ncnc2[nH]c(nc12)C(F)(F)F
O=C(Nc1cccc(c1)-c1cncc2ccccc12)c1ccccc1NCc1ccncc1
c1ccc(c(c1)C(=O)Nc2cccc(c2)C(F)(F)F)NCc3ccncc3
Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2\C\1=N/OCCN1CCNCC1
COCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1
CN(CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12)CC(O)CO
Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2\C\1=N/OCCN1CCCC1
OCCOCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1
COc1cccc(Oc2ccc3[nH]nc(-c4nc5ccc(cc5[nH]4)N4CCC(CC4)N4CCCCC4)c3c2)c1
COc1cc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c2cc1OCc1ccccc1
C1CCN(CC1)C1CCN(CC1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ccccc12
COc1ccccc1Oc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c2c1
O=C(Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c2c1)c1ccco1
C1CCN(CC1)C1CCN(CC1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ccc(Oc3ccccc3)cc12
C(Oc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c2c1)c1ccccc1
COc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c2c1
C(Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c2c1)c1nccs1
C(N1CCC(CC1)Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c2c1)c1ccccc1
COc1ccc(Oc2ccc3[nH]nc(-c4nc5ccc(cc5[nH]4)N4CCC(CC4)N4CCCCC4)c3c2)cc1
C(Oc1ccc2c(n[nH]c2c1)-c1nc2ccc(cc2[nH]1)N1CCC(CC1)N1CCCCC1)c1ccccc1
C(Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c2c1)c1ccco1
C(Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c2c1)c1ccccc1
CC(C)(C)NC(=O)Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c2c1
C(Oc1cc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c2cc1OCc1ccccc1)c1ccccc1
C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1
CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)CC1
CN(C)[C@@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1
CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN(C)C[C@@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1 |w:19.20|
CN1CCN(Cc2ccc(cc2Br)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN(C)C1CN(Cc2ccc(cc2C(F)(F)F)C(O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1 |w:17.18|
CN1CCN(Cc2ccc(cc2F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CC(C)NCc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cc1
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3cccc(Cl)c3)ncnc12 |w:7.8|
Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccccc3F)ncnc12 |w:7.8|
Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3cccc(F)c3)ncnc12 |w:7.8|
Fc1ccc(CNc2ncnc3n(CC(Cl)c4ccc(F)cc4)ncc23)cc1 |w:14.14|
Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccccc3)ncnc12 |w:7.8|
Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccccc3Cl)ncnc12 |w:7.8|
ClC(Cn1ncc2c(NCc3cccc(Cl)c3)ncnc12)c1ccc(Cl)cc1 |w:1.0|
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |wU:26.30,28.33,(7.04,-25.52,;7.05,-27.06,;5.72,-27.83,;5.72,-29.37,;7.05,-30.15,;8.39,-29.37,;9.86,-29.85,;10.77,-28.6,;9.86,-27.34,;10.64,-26.02,;9.88,-24.69,;10.64,-23.36,;12.19,-23.36,;12.96,-22.02,;14.5,-22.04,;15.28,-23.37,;14.5,-24.71,;12.96,-24.7,;12.18,-26.03,;16.82,-23.38,;17.59,-24.72,;19.13,-24.72,;19.9,-23.38,;19.12,-22.05,;17.59,-22.05,;8.39,-27.82,;10.34,-31.32,;9.65,-32.69,;11.02,-33.38,;11.5,-34.85,;10.47,-35.99,;8.93,-36.07,;9.01,-37.61,;10.55,-37.53,;11.72,-32.01,)|
Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)NC5CC5
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC
Cc1cc(cc2nnc(Nc3ccc(OCC[N+]4([O-])CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1 |w:19.20|
O=C(NC1CC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
COc1ccc(NC(=S)NN=C2C(=O)Nc3ccccc23)cc1 |w:10.9|
Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r|
C[C@H]1Cc2c(CN1C(C)=O)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1CC1 |r|
CC1(C)CC(CC(C)(C)N1[O])NC(=O)c1cccc(c1)-c1cc2nccc(Nc3cccc(O)c3)n2n1 |^1:10|
CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1
O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Oc1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
CN(C)c1ccc(\C=C2/C(=O)Nc3cccc(C)c23)c2ccccc12
Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(N)cc23)[nH]1
Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(cc23)-c2cccnc2)[nH]1
CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
c1n[nH]cc1-c1cnc2ncc(cn12)-c1cn[nH]c1
NCc1ccc(cc1)-c1cn2c(cnc2cn1)-c1cn[nH]c1
OCc1ccc(cc1)-c1cn2c(cnc2cn1)-c1cn[nH]c1
NS(=O)(=O)c1ccc(Nc2nc(nc3nc[nH]c23)N2CCOCC2)cc1
O=C1NCCc2[nH]c(cc12)-c1ccncc1
Cn1c2nc(NCc3cccc(N)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(2.87,-2.98,;2.87,-1.44,;1.55,-.68,;.22,-1.45,;-1.11,-.68,;-2.44,-1.45,;-3.78,-.69,;-5.11,-1.46,;-5.1,-3.01,;-6.44,-3.78,;-7.77,-3.01,;-7.77,-1.47,;-9.1,-.7,;-6.44,-.7,;-1.12,.85,;.2,1.63,;1.55,.87,;2.88,1.64,;4.21,.86,;5.54,1.63,;5.54,3.16,;4.21,3.93,;6.87,3.93,;8.21,3.16,;8.21,1.62,;6.87,.85,;6.87,-.69,;4.21,-.68,;5.54,-1.45,)|
Cn1c2nc(NCc3cccc(N)c3)ncc2cc(-c2ccccc2Cl)c1=O
Cn1c2nc(NCc3cccc(N)c3)ncc2cc(-c2ccccc2)c1=O
Cn1c2nc(NCc3cccc(N)c3)ncc2cc(-c2c(F)cccc2F)c1=O |(4.09,-13.59,;4.09,-12.05,;2.77,-11.29,;1.44,-12.06,;.11,-11.29,;-1.22,-12.06,;-2.56,-11.3,;-3.89,-12.07,;-3.88,-13.62,;-5.22,-14.39,;-6.55,-13.62,;-6.55,-12.08,;-7.88,-11.31,;-5.22,-11.31,;.1,-9.76,;1.42,-8.98,;2.77,-9.74,;4.1,-8.97,;5.43,-9.75,;6.76,-8.98,;6.76,-7.45,;5.43,-6.68,;8.09,-6.68,;9.43,-7.45,;9.43,-8.99,;8.09,-9.76,;8.09,-11.3,;5.43,-11.29,;6.76,-12.06,)|
Cn1c2nc(NCc3cccc(N)c3)ncc2cc(-c2ccccc2Br)c1=O
CSc1cccc(CNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-11.39,-21.23,;-10.05,-20.46,;-8.72,-21.23,;-8.72,-22.77,;-7.39,-23.54,;-6.05,-22.77,;-6.05,-21.22,;-4.72,-20.45,;-3.39,-21.21,;-2.06,-20.44,;-2.07,-18.91,;-.75,-18.13,;.6,-18.89,;1.93,-18.12,;3.26,-18.9,;4.59,-18.13,;4.59,-16.6,;3.26,-15.83,;5.92,-15.83,;7.26,-16.6,;7.26,-18.14,;5.93,-18.91,;5.92,-20.45,;3.26,-20.44,;4.59,-21.21,;1.93,-21.2,;1.92,-22.74,;.6,-20.44,;-.73,-21.21,;-7.39,-20.46,)|
CCCCCCNc1cccc(CNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(8.22,-20.73,;9.56,-21.5,;10.89,-20.73,;12.22,-21.5,;13.56,-20.73,;14.89,-21.5,;16.22,-20.73,;17.56,-21.5,;17.56,-23.04,;18.89,-23.81,;20.23,-23.04,;20.22,-21.49,;21.55,-20.71,;22.89,-21.48,;24.22,-20.7,;24.21,-19.17,;25.53,-18.4,;26.88,-19.16,;28.21,-18.39,;29.54,-19.16,;30.87,-18.4,;30.87,-16.86,;29.54,-16.1,;32.2,-16.09,;33.54,-16.87,;33.54,-18.41,;32.21,-19.17,;32.2,-20.71,;29.54,-20.7,;30.88,-21.48,;28.21,-21.47,;28.2,-23.01,;26.88,-20.7,;25.55,-21.48,;18.89,-20.73,)|
Cn1c2nc(NCc3cccc(NC(=O)CN)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(51.48,-23.91,;51.49,-22.37,;50.16,-21.61,;48.83,-22.38,;47.5,-21.61,;46.17,-22.38,;44.83,-21.62,;43.5,-22.39,;43.51,-23.94,;42.17,-24.72,;40.84,-23.94,;40.84,-22.4,;39.5,-21.63,;38.17,-22.4,;38.17,-23.94,;36.84,-21.63,;36.84,-20.09,;42.17,-21.63,;47.49,-20.08,;48.81,-19.3,;50.16,-20.06,;51.49,-19.29,;52.82,-20.07,;54.16,-19.3,;54.16,-17.77,;52.82,-17,;55.48,-17,;56.83,-17.77,;56.82,-19.31,;55.49,-20.08,;55.49,-21.62,;52.82,-21.61,;54.16,-22.38,)|
Cn1c2nc(NCc3cccc(c3)C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |r,wU:19.19,27.27,22.23,(33.85,-43.02,;33.87,-41.48,;32.57,-40.68,;31.23,-41.44,;29.91,-40.64,;28.59,-41.42,;27.24,-40.66,;25.92,-41.44,;25.93,-42.99,;24.61,-43.76,;23.26,-43.01,;23.25,-41.47,;24.58,-40.69,;21.9,-40.71,;21.88,-39.18,;20.59,-41.5,;20.6,-43.04,;19.28,-43.82,;19.25,-45.36,;18.02,-46.28,;16.55,-45.82,;15.66,-47.08,;16.58,-48.32,;16.6,-49.86,;18.07,-50.31,;18.56,-51.77,;18.96,-49.05,;18.04,-47.82,;29.94,-39.11,;31.27,-38.35,;32.6,-39.14,;33.95,-38.4,;35.27,-39.2,;36.62,-38.46,;36.65,-36.92,;35.33,-36.13,;37.99,-36.18,;39.31,-36.97,;39.29,-38.52,;37.92,-39.26,;37.9,-40.79,;35.24,-40.74,;36.55,-41.54,)|
Cn1c2nc(Nc3cccc(NC(=O)CN)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(4.47,-45.1,;4.48,-43.56,;3.15,-42.79,;1.82,-43.56,;.49,-42.79,;-.84,-43.57,;-2.18,-42.8,;-2.18,-41.25,;-3.52,-40.49,;-4.85,-41.26,;-4.85,-42.8,;-6.18,-43.57,;-7.51,-42.8,;-7.51,-41.26,;-8.85,-43.57,;-10.18,-42.8,;-3.51,-43.57,;.48,-41.26,;1.8,-40.48,;3.15,-41.25,;4.48,-40.47,;5.81,-41.25,;7.14,-40.49,;7.14,-38.95,;5.81,-38.18,;8.47,-38.18,;9.81,-38.95,;9.81,-40.49,;8.48,-41.26,;8.47,-42.8,;5.81,-42.79,;7.14,-43.56,)|
CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 |r|
CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5
Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC
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
COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3ccccc3
c1ccc(cc1)C(=O)c2ccc3c(c2)n(c(n3)N)CC4CCNCC4
Nc1ncnc(Nc2ccc(OCc3ccccn3)c(Cl)c2)c1-c1nc(CNC(=O)C=C)co1
C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r|
O=C(NCCC1CCNCC1)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
CN1CCC(CCn2c(N)nc3ccc(cc23)C(=O)c2ccccc2)CC1
Nc1nc2ccc(cc2n1CC[C@@H]1CCCN1)C(=O)c1ccccc1 |r|
CN1CCN(CCn2c(N)nc3ccc(cc23)C(=O)c2ccccc2)CC1
Nc1nc2ccc(cc2n1CCC1CCNCC1)C(=O)c1ccccc1
C[C@@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1 |r|
C[C@@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1 |r|
CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(C2CCN(C)CC2)c2ncnc(N)c12
C(Cc1ccccc1)Nc1ncnc2n(\C=C/c3ccccc3)ncc12
C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|
CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Cc1ccc(cc1N2c3c(c(ncn3)N)C4=C(C2=O)CCCC4)O
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
COC(=O)C1CCN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1cccc(OCCOCCOCCNC(=O)c2cccc(c2)-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1 |r|
C[C@H](Nc1cc(ccn1)-c1sc(nc1-c1ccc(F)cc1)C1CCN(C)CC1)c1ccccc1
CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1cccc(OCCOCCOCCNC(=O)C2CCN(C2)c2ncc(cc2-c2ccn[nH]2)C(=O)Nc2ccc(OC(F)(F)Cl)cc2)c1 |r|
CN[C@@H](C)C(=O)N(C)[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1cccc(OCCOCCOCCNC(=O)C2CCN(C2)c2ncc(cc2-c2ccn[nH]2)C(=O)Nc2ccc(OC(F)(F)Cl)cc2)c1 |r|
NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c(Br)cc12 |t:1|
Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Cc1cn(cn1)-c1cc(F)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
Cc1cn(cn1)-c1cccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
Cc1cn(cn1)-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
Cc1ccc(cc1C#Cc2cc3cn[nH]c3nc2)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ncnn4c3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4n(C)ncc4c3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3ccc4[nH]ncc4c3)cc2C(F)(F)F)CC1
COc1n[nH]c2ncc(cc12)C#Cc1cc(ccc1C)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4[nH]nc(-c5ccccc5)c4c3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4[nH]nc(C5CC5)c4c3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4[nH]nc(C)c4c3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(c3)C#Cc3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C4CC4)c(c3)C#Cc3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1
CCc1ccc(cc1C#Cc1cnc2[nH]ncc2c1)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F
CN1CCN(Cc2ccc(NC(=O)c3cccc(c3)C#Cc3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1
c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl
Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)c1
COc1ccccc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O
COc1ccc(CCNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)cc1OC
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
Cc1ccc(NC(=O)c2ccc(Cn3ccnc3)c(c2)C(F)(F)F)cc1C#Cc1cncnc1
Cc1ccc(NC(=O)c2ccc(CN3CCN(CCO)CC3)c(c2)C(F)(F)F)cc1C#Cc1cnc2ccccn12
CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cnc3cccnn23)CC1
CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4ccc(N)nc4)n(C)n3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cccnc4)n(C)n3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5ccccn45)n(C)n3)cc2C(F)(F)F)CC1
Cc1ccc(NC(=O)c2ccc(Cn3ccnc3)c(c2)C(F)(F)F)cc1C#Cc1ncc(Nc2ccccc2)cn1
CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cccnn45)n(C)n3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cnccn45)n(C)n3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncc4nccn34)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cncc5nccn45)n(C)n3)cc2C(F)(F)F)CC1
CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cc(ccc1C)-c1cccc2[nH]ncc12
CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccc(F)cc1C
COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cc(O)ccc1C |(16.89,-42.99,;16.89,-41.45,;18.23,-40.68,;19.55,-41.45,;20.88,-40.68,;20.88,-39.14,;19.55,-38.38,;18.23,-39.15,;16.9,-38.38,;16.91,-36.84,;15.44,-36.35,;14.53,-37.6,;15.43,-38.85,;14.53,-40.09,;13.06,-39.61,;11.74,-40.37,;11.73,-41.91,;10.41,-39.61,;9.07,-40.38,;10.41,-38.07,;11.74,-37.29,;11.74,-35.75,;13.06,-38.07,;18.24,-36.06,;19.58,-36.83,;20.9,-36.05,;22.24,-36.81,;20.9,-34.51,;19.55,-33.75,;18.23,-34.53,;16.89,-33.77,)|
CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4ccccc4C
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4nc[nH]c34)c(F)c2)c1=O
Fc1cccc(c1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4nc[nH]c34)c(F)c2)c1=O
[O-][N+](=O)c1ccccc1-c1n[nH]cc1C=C1C(=O)Nc2ccccc12 |w:14.15|
C[C@@H](Oc1c[nH]c(=O)c(c1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1)c1c(Cl)ccc(F)c1Cl |r|
NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r,wU:100.108,111.119,7.6,11.11,25.27,36.38,50.54,86.92,75.81,61.65,(13.76,10.06,;12.41,9.29,;12.41,7.74,;11.08,10.06,;9.74,9.29,;9.74,7.82,;8.46,7.09,;8.46,5.61,;7.19,4.87,;7.19,3.4,;8.46,2.66,;5.91,2.66,;4.63,3.4,;4.63,4.94,;5.88,5.86,;5.4,7.32,;3.86,7.32,;2.83,8.45,;1.32,8.13,;.85,6.67,;1.89,5.54,;3.38,5.86,;5.91,1.19,;4.63,.45,;3.37,1.19,;4.63,-1.02,;3.37,-1.77,;2.08,-1.02,;.81,-1.77,;-.55,-1,;-.55,.55,;-1.89,1.33,;.79,1.33,;5.91,-1.77,;5.9,-3.23,;7.18,-3.98,;4.62,-3.97,;3.35,-3.22,;2,-3.99,;1.83,-5.53,;.32,-5.84,;-.45,-4.5,;-1.95,-4.17,;-2.42,-2.7,;-1.39,-1.56,;.12,-1.89,;.59,-3.36,;4.61,-5.44,;5.89,-6.18,;7.17,-5.45,;5.88,-7.66,;4.6,-8.39,;3.33,-7.64,;1.99,-8.41,;1.98,-9.96,;.64,-10.73,;.64,-12.28,;-.71,-9.95,;7.16,-8.4,;7.15,-9.94,;5.81,-10.71,;8.48,-10.72,;8.48,-12.27,;9.82,-13.04,;9.99,-14.58,;11.5,-14.9,;12.27,-13.56,;13.78,-13.24,;14.26,-11.78,;13.22,-10.63,;11.72,-10.95,;11.24,-12.41,;9.83,-9.95,;9.83,-8.4,;8.49,-7.63,;11.17,-7.63,;12.51,-8.41,;13.85,-7.64,;15.19,-8.42,;16.53,-7.65,;17.87,-8.42,;19.21,-7.65,;17.87,-9.97,;11.18,-6.09,;13.56,-3.23,;14.84,-3.97,;13.56,-1.77,;14.84,-1.02,;16.18,-1.79,;17.59,-1.15,;18.64,-2.3,;17.87,-3.64,;18.34,-5.1,;17.32,-6.25,;15.81,-5.93,;15.33,-4.47,;16.36,-3.32,;12.28,-1.02,;12.28,.45,;11.01,1.19,;13.56,1.19,;14.84,.45,;16.11,1.19,;17.45,.42,;18.8,1.18,;20.13,.41,;21.47,1.17,;20.12,-1.15,;13.56,2.66,;12.28,3.4,;11.01,2.66,;12.28,4.87,;13.56,5.61,;14.9,4.84,;15.07,3.29,;16.58,2.98,;17.35,4.31,;18.86,4.62,;19.34,6.09,;18.3,7.25,;16.8,6.93,;16.33,5.45,;11.01,5.61,;9.74,4.87,;9.74,3.4,)|
ClC(Cn1ncc2c(Nc3ccccc3)ncnc12)c1ccc(I)cc1
Cc1ccc(cc1)C(Cl)Cn1ncc2c(Nc3ccccc3)ncnc12
FC(F)(F)c1cc(CNc2ncnc3n(CC(Cl)c4ccc(Br)cc4)ncc23)cc(c1)C(F)(F)F
COc1cccc(CNc2ncnc3n(CC(Cl)c4ccc(Br)cc4)ncc23)c1
ClC(Cn1ncc2c(NCc3cccc(Br)c3)ncnc12)c1ccc(Br)cc1
ClC(Cn1ncc2c(NCc3ccc(Br)cc3)ncnc12)c1ccc(Br)cc1
Fc1ccc(F)c(CNc2ncnc3n(CC(Cl)c4ccc(Br)cc4)ncc23)c1
Fc1ccc(CNc2ncnc3n(CC(Cl)c4ccc(Br)cc4)ncc23)cc1
ClC(Cn1ncc2c(NCc3ccc(Cl)c(Cl)c3)ncnc12)c1ccc(Br)cc1
ClC(Cn1ncc2c(NCc3cc(Cl)ccc3Cl)ncnc12)c1ccc(Br)cc1
ClC(Cn1ncc2c(NCc3ccc(Cl)cc3)ncnc12)c1ccc(Br)cc1
ClC(Cn1ncc2c(NCc3ccccc3Cl)ncnc12)c1ccc(Br)cc1
ClC(Cn1ncc2c(NCc3cccc(Cl)c3)ncnc12)c1ccc(Br)cc1
ClC(Cn1ncc2c(NCc3ccccc3)ncnc12)c1ccc(Br)cc1
ClC(Cn1ncc2c(Nc3ccccc3)ncnc12)c1ccccc1
Fc1cccc(Nc2ncnc3n(CC(Cl)c4ccccc4)ncc23)c1
ClC(Cn1ncc2c(Nc3cccc(Br)c3)ncnc12)c1ccccc1
Fc1ccc(cc1)C(Cl)Cn1ncc2c(Nc3cccc(Br)c3)ncnc12
Fc1ccc(cc1)C(Cl)Cn1ncc2c(Nc3cccc(Cl)c3)ncnc12
Fc1cccc(CNc2ncnc3n(CC(Cl)c4ccc(Br)cc4)ncc23)c1
Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl
CCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(nn4-c4cccc(C)c4)C(C)(C)C)cc3)c2c1
CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ncnc4ccccc34)c2)n(n1)-c1cccc(N)c1
CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ncnc4ccccc34)c2)n(n1)-c1cccc(c1)[N+]([O-])=O
CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccc(NC(=O)CCN5CCOCC5)cc34)cc2)n(n1)-c1cccc(N)c1
CN1CCN(CCC(=O)Nc2ccc3ncnc(Nc4ccc(NC(=O)Nc5cc(nn5-c5cccc(N)c5)C(C)(C)C)cc4)c3c2)CC1
CN(C)CCCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(nn4-c4cccc(N)c4)C(C)(C)C)cc3)c2c1
CCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(nn4-c4cccc(N)c4)C(C)(C)C)cc3)c2c1
CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccc(N)cc34)cc2)n(n1)-c1cccc(NC(=O)OCC2c3ccccc3-c3ccccc23)c1
CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccccc34)cc2)n(n1)-c1cccc(N)c1
CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccc(N)cc34)cc2)n(n1)-c1cccc(N)c1
CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccccc34)cc2)n(n1)-c1cccc(c1)[N+]([O-])=O
CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccc(cc34)[N+]([O-])=O)cc2)n(n1)-c1cccc(c1)[N+]([O-])=O
CCCCNc1nc(SCC)nc2n(CC(Cl)c3ccccc3)ncc12
Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1CCCCCC(=O)NO
Oc1cc(OCC(=O)NCCN2CCOCC2)cc2oc(cc(=O)c12)-c1ccccc1
Oc1cc(OCC(=O)NCc2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
COc1cccc(NC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)c1
Oc1cc(OCC(=O)Nc2ccccc2Br)cc2oc(cc(=O)c12)-c1ccccc1
Oc1cc(OCC(=O)Nc2cccc(Br)c2)cc2oc(cc(=O)c12)-c1ccccc1
Oc1cc(OCC(=O)Nc2ccc(Br)cc2)cc2oc(cc(=O)c12)-c1ccccc1
Cc1ccc(NC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1
Cc1cccc(NC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)c1
Oc1cc(OCC(=O)Nc2ncccc2F)cc2oc(cc(=O)c12)-c1ccccc1
Oc1cc(OCC(=O)Nc2ccccn2)cc2oc(cc(=O)c12)-c1ccccc1
Cc1cc(NC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)ncc1Br
Oc1cc(OCC(=O)Nc2cc(Br)ccn2)cc2oc(cc(=O)c12)-c1ccccc1
Oc1cc(OCC(=O)Nc2ccc(Br)cn2)cc2oc(cc(=O)c12)-c1ccccc1
Cc1ccnc(NC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)c1
Cc1ccc(NC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)nc1
Cc1cccc(NC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2cc(F)ccc2F)n1
Cc1cccc(NC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)n1
C1CNCC2(C1)CCN(CC2)c1ncnc2nc[nH]c12
C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r|
Oc1ccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1Sc1nnc[nH]1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
C[C@@H](Sc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1
CCN(CC)CCCNC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)NCCN4CCCC4)cc23)cc1Cl |r|
C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C
CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)N(C(=O)C(=C4)C#N)C5CCCC5
COc1ccc(cc1OC)S(=O)(=O)Nc1cc(Sc2ncnc3nc[nH]c23)c(O)c2ccccc12
CCc1ccc(cc1C#Cc1cncnc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1cnc2ccccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1cnc2ccnn2c1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1cnc(C)n1C)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CN1CCN(Cc2cc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cnccn34)cc(c2)C(F)(F)F)CC1
CC(C)c1ccc(cc1C#Cc1cnc2ccccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1ccco1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CN1CCN(Cc2cc(NC(=O)c3ccc(c(c3)C#Cc3cnc4cnccn34)C(C)(C)C)cc(c2)C(F)(F)F)CC1
CCc1ccc(cc1C#Cc1ccsc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1cncn1C)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1cnc2cnccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CC(C)c1ccc(cc1C#Cc2cnc3n2ccnc3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CN5CCN(CC5)C
CN1CCN(Cc2cc(NC(=O)c3ccc(C4CC4)c(c3)C#Cc3cnc4cnccn34)cc(c2)C(F)(F)F)CC1
CC(C)c1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1ccoc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1cnc(NC)nc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1cnc(nc1)N(C)C)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1cnc(N)nc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CCO)cc2)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2N)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)\C=C\CN(C)C)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CCO)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(C)=O)c2)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)COCc3ccccc3)c2)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CO)c2)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCOCc3ccccc3)c2)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCO)c2)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)C=C)cc2)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(cc2)[N+]([O-])=O)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(N)cc2)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(C)=O)cc2)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(cc2)N=C=S)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(cc2)N=[N+]=[N-])n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)\C=C\CN(C)C)cc2)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)COCc3ccccc3)cc2)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CO)cc2)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CCOCc3ccccc3)cc2)n1)N1CCN(C)CC1
CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc(c4)NC(=O)C=C)Cl
COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)C=C)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2[N+]([O-])=O)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(C)=O)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2N=C=S)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2N=[N+]=[N-])n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)COCc2ccccc2)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CO)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(c2)[N+]([O-])=O)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(N)c2)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CCOCc2ccccc2)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(c2)N=C=S)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(c2)N=[N+]=[N-])n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)\C=C\CN(C)C)c2)n1)N1CCN(C)CC1
CN1CCN(Cc2cc(Cl)cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2O)CC1
c1cc(cc(c1)C(=O)Nc2ccc(cc2)OC(F)(F)F)CN3CCOCC3
COC(=O)c1ccc(cc1N)Cl
CCCCCCNc1ccc(Cl)c(Br)c1
O[C@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r|
FC(F)(F)Oc1ccc(NC(=O)c2cccc(c2)-c2cncnc2)cc1
FC(F)(F)Oc1ccc(NC(=O)c2cncc(c2)-c2cncnc2)cc1
COc1ccc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
FC(F)(F)Oc1ccc(NC(=O)c2ccc(OCCN3CCCC3)c(c2)-c2cncnc2)cc1
CN1CCN(CC1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
C[C@@]1(O)CCN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r|
O[C@@H]1CCN(C1)c1ncc(cc1-c1[nH]ncc1F)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r|
OCCCNc1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
CN1CCN(Cc2cc(Cl)cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2O)CC1
O[C@@H]1CCN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r|
CC(C)n1nc(C#Cc2cccc(NC(=O)c3cccc(c3)C(F)(F)F)c2)c2c(N)ncnc12
CC(C)n1nc(C#Cc2cccc3cc(ncc23)-c2ccc(Cl)c(c2)C(F)(F)F)c2c(N)ncnc12
CC(C)n1nc(C#Cc2c(C)ccc3cc(ncc23)-c2cccc(c2)C(F)(F)F)c2c(N)ncnc12
CCn1nc(C#Cc2cccc3cc(ncc23)-c2cccc(c2)C(F)(F)F)c2c(N)ncnc12
CC(C)n1nc(C#Cc2cccc3cc(ncc23)-c2cccc(c2)C(F)(F)F)c2c(N)ncnc12
CC(C)n1nc(C#Cc2cccc3cc(ncc23)-c2ccc(CN3CCN(C)CC3)cc2)c2c(N)ncnc12
CN(C)CCN(Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1)C(=O)c1cccnc1
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12
Cc1cccc(n1)-c1n[nH]cc1-c1ccc2ncccc2n1
C[C@H]1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccc(O)cc1 |r|
CC1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)c1
CCc1cccc(n1)-c1nn2CC(C)(C)C(C)c2c1-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)c1
CCc1cccc(n1)-c1nn2CC(C)(C)[C@@H](C)c2c1-c1ccc(O)cc1 |r|
CC1c2c(c(nn2CC1(C)C)-c1cccc(C)c1C#N)-c1ccc(O)cc1
CC1c2c(c(nn2CC1(C)C)-c1ccccc1C#N)-c1ccncc1
CC1(C)Cc2c(c(nn2C1)-c1ccccn1)-c1ccncc1
Cc1cccc(n1)-c1nn2CC(C)(C)C(CO)c2c1-c1ccncc1
CC1(C)Cc2c(c(nn2C1)-c1ccccc1C#N)-c1ccncc1
CC1(C)Cc2c(c(nn2C1)-c1ccccn1)-c1ccc(O)cc1
Cc1cccc(n1)-c1nn2CC(C)(C)Cc2c1-c1ccnc(Cl)c1
Cc1cccc(n1)-c1nn2CC(C)(C)Cc2c1-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)c1
Cc1cccc(n1)-c1nn2CC(C)(C)Cc2c1-c1ccc(O)cc1
CC1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccnc(Cl)c1
C[C@@H]1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccc(O)cc1 |r|
CC1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccnc(C)c1
CC1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccncc1
CCOC(=O)c1ccc(cc1)-c1c(nn2CC(C)(C)C(C)c12)-c1cccc(C)n1
CCc1cccc(n1)-c1nn2CC(C)(C)C(C)c2c1-c1ccncc1
CCc1cccc(n1)-c1nn2CC(C)(C)C(C)c2c1-c1ccnc(Cl)c1
CCc1cccc(n1)-c1nn2CC(C)(C)C(C)c2c1-c1ccc(OC)cc1
CC1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccc(O)cc1
CCc1cccc(n1)-c1nn2CC(C)(C)C(C)c2c1-c1ccc(O)cc1
CCc1cccc(n1)-c1nn2CC(C)(C)[C@H](C)c2c1-c1ccc(O)cc1 |r|
CC1c2c(c(nn2CC1(C)C)-c1ccccc1C#N)-c1ccc(O)cc1
CC1c2c(c(nn2CC1(C)C)-c1cccc(C)c1C#N)-c1ccncc1
COCC1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccncc1
Cc1cccc(n1)-c1nn2CC(C)(C)Cc2c1-c1ccncc1
COc1ccc(cc1)-c1c(nn2CC(C)(C)C(C)c12)-c1cccc(C)n1
CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(c4)C(C)(C)C)cnc3c2)ccn1
CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(c4)C(C)(C)C)ccc3c2)ccn1
CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(c4)C(C)(C)C)ncc3c2)ccn1
CCc1ccccc1-c1ccc2nc(NC(=O)NCCN3CCOCC3)sc2c1
CCOc1ccccc1-c1ccc2nc(NC(=O)NCCCO)sc2c1
CCOc1ccccc1-c1ccc2nc(NC(=O)NCCN3CCOCC3)sc2c1
COc1ccccc1-c1ccc2nc(NC(=O)NCCN3CCN(C)CC3)sc2c1
COc1ccccc1-c1ccc2nc(NC(=O)NCCO)sc2c1
CCNC(=O)Nc1nc2ccc(cc2s1)-c1ccc(N)cc1OC
CCNC(=O)Nc1nc2ccc(cc2s1)-c1ccncc1
CCNC(=O)Nc1nc2ccc(nc2s1)-c1ccccc1OC
CCNC(=O)Nc1nc2cc(OC)c(cc2s1)-c1ccccc1OC
CCNC(=O)Nc1nc2ccc(cc2s1)-c1ccccc1OC(F)(F)F
CCNC(=O)Nc1nc2ccc(cc2s1)-c1ccccc1OCC
CCNC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)N1CCN(C)CC1
CCNC(=O)Nc1nc2ccc(Oc3ccccc3Cl)cc2[nH]1
CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1ccncc1C
CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1ccnc(C)c1
CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1c(Cl)cccc1Cl
CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1c(C)cccc1Cl
CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1ccccc1Oc1ccccc1
CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1ccccc1OCC
CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1ccccc1OC
CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1cccc(C)c1
CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1ccccc1Cl
CCNC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1
COc1ccccc1-c1ccc2nc(NC(=O)NCCCO)sc2c1
CCNC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)Nc1ccncc1
CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1ccncc1
CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1ccccc1OC(F)(F)F
CCNC(=O)Nc1nc2ccc(cc2s1)-c1ccc(OC)cc1OC
CCNC(=O)Nc1nc2ccc(cc2o1)-c1ccccc1OC
CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1c(C)cccc1C
CCOc1ccccc1-c1ccc2nc(NC(=O)NCCO)sc2c1
COc1ccccc1-c1ccc2nc(NC(=O)NCCN3CCOCC3)sc2c1
CCNC(=O)Nc1nc2ccc(cc2s1)-c1ccc(OC)cc1
CCNC(=O)Nc1nc2ccc(cc2s1)-c1ccccc1OC
CCNC(=O)Nc1nc2cc(ccc2[nH]1)-c1cccnc1
CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1c(OC)cccc1OC
CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1ccccc1OC(C)C
CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1ccccc1CC
CCNC(=O)Nc1nc2ccc(cc2s1)-c1ccccc1
CCNC(=O)Nc1nc2cc(ccc2[nH]1)-c1ccccc1
CCNC(=O)Nc1nc2ccc(Oc3cccc(OC)c3)cc2[nH]1
CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1cccc(F)c1
CCCOc1ccccc1-c1ccc2nc(NC(=O)NCC)sc2c1
CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1cccc(c1)C#N
CCNC(=O)Nc1nc2ccc(cc2s1)-c1ccncc1OC
CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1ccnn1CC
CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1ccccc1C
CCOc1ccccc1-c1ccc2nc(NC(=O)NCCN3CCNCC3)sc2c1
CCc1ccccc1-c1ccc2nc(NC(=O)NCCN(C)C)sc2c1
COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1
CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1ccc(C)cc1
CN1CCC(CC1)NC(=O)c1cc([nH]c1-c1cc(Cl)ccc1C)-c1ccnc(N)n1
Cc1ccc(cc1-c1[nH]c(cc1C(N)=O)-c1ccnc(N)n1)C(F)(F)F
CNc1nccc(n1)-c1cc(C(N)=O)c([nH]1)-c1cc(Cl)ccc1C
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cc(C(N)=O)c(-c3cc(Cl)ccc3C)n2C)cc1 |(23.55,-21.98,;22.21,-21.21,;20.88,-21.99,;19.55,-21.23,;19.54,-19.69,;20.86,-18.9,;22.2,-19.67,;18.2,-18.93,;16.87,-19.71,;15.54,-18.95,;15.53,-17.41,;14.19,-16.65,;14.18,-15.11,;12.84,-14.35,;12.83,-12.81,;14.16,-12.03,;15.5,-12.79,;15.51,-14.33,;16.83,-12.01,;16.98,-10.48,;18.48,-10.15,;19.1,-8.74,;20.63,-8.57,;18.19,-7.5,;19.26,-11.48,;20.8,-11.63,;21.69,-10.38,;23.23,-10.53,;24.12,-9.28,;23.86,-11.93,;22.96,-13.18,;21.43,-13.03,;20.54,-14.28,;18.24,-12.63,;17.46,-13.95,;16.85,-16.63,;18.19,-17.38,)|
NC(=O)c1cc([nH]c1-c1cc(ccc1Cl)C(F)(F)F)-c1ccnc(N)n1
NC(=O)c1cc([nH]c1-c1cc(OC(F)(F)F)ccc1Cl)-c1ccnc(N)n1
CCc1ccc(Cl)cc1-c1[nH]c(cc1C(N)=O)-c1ccnc(N)n1
NC(=O)c1cc([nH]c1-c1cc(Cl)ccc1Cl)-c1ccnc(N)n1
CCc1ccc(cc1-c1[nH]c(cc1C(N)=O)-c1ccnc(N)n1)C(F)(F)F
NC(=O)c1cc([nH]c1-c1cc(ccc1C(F)(F)F)C(F)(F)F)-c1ccnc(N)n1
CNC(=O)c1cc([nH]c1-c1cc(Cl)ccc1C)-c1ccnc(N)n1
Cc1ccc(Cl)cc1-c1[nH]c(cc1C(N)=O)-c1ccnc(N)n1
CNCCNC(=O)c1cc([nH]c1-c1cc(Cl)ccc1C)-c1ccnc(N)n1
CC(C)n1c2c(c(n1)C#Cc3cccc(c3)O)c(ncn2)N
CC(C)n1nc(C#Cc2cccc(c2)C(=O)Nc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
CC(C)n1nc(C#Cc2cccc(Cl)c2)c2c(N)ncnc12
CC(C)n1nc(C#Cc2ccccc2)c2c(N)ncnc12
CC(C)n1nc(C#Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
COc1ccc(cc1)C#Cc1nn(C(C)C)c2ncnc(N)c12
CC(C)n1nc(C#Cc2ccccc2O)c2c(N)ncnc12
CC(C)n1nc(\C=C\c2cccc(O)c2)c2c(N)ncnc12
CC(C)n1nc(C#Cc2cccc(N)c2)c2c(N)ncnc12
CC(C)n1nc(C#Cc2cccc(C)c2)c2c(N)ncnc12
COc1ccccc1C#Cc1nn(C(C)C)c2ncnc(N)c12
CC(C)n1nc(C#Cc2ccc(O)cc2)c2c(N)ncnc12
COc1cccc(c1)C#Cc1nn(C(C)C)c2ncnc(N)c12
CC(C)n1nc(C#Cc2cccc(F)c2)c2c(N)ncnc12
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,)|
Cc1c(oc2ccc(C)cc12)-c1n(nc2c1c(N)n[nH]c2=O)-c1ccc(NC(=O)C=C)cc1 |(12.65,-38.72,;11.4,-37.83,;9.94,-38.31,;9.03,-37.07,;9.93,-35.82,;9.6,-34.32,;10.73,-33.29,;12.2,-33.76,;13.34,-32.72,;12.53,-35.26,;11.39,-36.29,;9.47,-39.77,;10.38,-41.01,;9.48,-42.26,;8.02,-41.79,;8.01,-40.26,;6.68,-39.48,;6.68,-37.94,;5.35,-40.26,;5.35,-41.8,;6.68,-42.56,;6.68,-44.1,;11.92,-41,;12.69,-42.33,;14.23,-42.32,;15,-40.98,;16.54,-40.97,;17.3,-39.63,;16.52,-38.3,;18.84,-39.62,;19.6,-38.28,;14.21,-39.65,;12.67,-39.66,)|
Cc1c(oc2ccc(C)cc12)-c1n(nc2c1c(N)n[nH]c2=O)-c1ccc(CNC(=O)C=C)cc1 |(28.79,-8.39,;27.54,-7.5,;26.08,-7.98,;25.16,-6.74,;26.06,-5.49,;25.74,-3.99,;26.87,-2.96,;28.34,-3.43,;29.48,-2.39,;28.66,-4.93,;27.53,-5.96,;25.61,-9.44,;26.52,-10.68,;25.62,-11.92,;24.16,-11.46,;24.15,-9.93,;22.82,-9.15,;22.82,-7.61,;21.49,-9.93,;21.49,-11.47,;22.82,-12.23,;22.82,-13.77,;28.05,-10.67,;28.83,-12,;30.37,-11.99,;31.13,-10.65,;32.67,-10.64,;33.45,-11.97,;34.99,-11.96,;35.75,-10.62,;35.77,-13.29,;37.31,-13.28,;30.35,-9.32,;28.81,-9.33,)|
[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|
CN1CCC(CC1)Nc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cc(cs1)C#N
CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1cc2CN(C)C(=O)c2cc1OC
CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C
CN1CCC(CC1)Nc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc2OCOc2c1
CN1CCN(Cc2cc(NC(=O)c3cc(ccc3C)C#Cc3cnc4cnccn34)cc(c2)C(F)(F)F)CC1
CN1CCN(Cc2cc(NC(=O)c3cccc(C#Cc4cnc5cnc(cn45)-c4ccncc4)c3C)cc(c2)C(F)(F)F)CC1
CN1CCN(Cc2cc(NC(=O)c3cccc(C#Cc4cnc5cnccn45)c3C)cc(c2)C(F)(F)F)CC1
CN1CCN(Cc2cc(NC(=O)c3cccc(c3)C#Cc3cnc4cnccn34)cc(c2)C(F)(F)F)CC1
CN1CCN(Cc2cc(NC(=O)c3cccc(C#Cc4cnc5cnccn45)c3Cl)cc(c2)C(F)(F)F)CC1
CCc1c(cccc1C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)C#Cc1cnc2cnccn12
CCCc1c(cccc1C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)C#Cc1cnc2cnccn12
CN1CCN(Cc2cc(C)cc(NC(=O)c3cccc(C#Cc4cnc5cnc(cn45)-c4ccc(N)cc4)c3C)c2)CC1
CCc1cc(CN2CCN(C)CC2)cc(NC(=O)c2cccc(C#Cc3cnc4cnc(cn34)-c3ccc(N)cc3)c2C)c1
CC(C)c1cc(CN2CCN(C)CC2)cc(NC(=O)c2cccc(C#Cc3cnc4cnc(cn34)-c3ccc(N)cc3)c2C)c1
CN1CCN(Cc2cc(NC(=O)c3cc(C)cc(c3)C#Cc3cnc4cnccn34)cc(c2)C(F)(F)F)CC1
CN1CCN(Cc2cc(NC(=O)c3cccc(C#Cc4cnc5cnc(cn45)-c4ccc(N)cc4)c3C)cc(c2)C(C)(C)C)CC1
COc1c(cccc1C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)C#Cc1cnc2cnccn12
CN1CCN(Cc2cc(NC(=O)c3cccc(C#Cc4cnc5cnc(cn45)-c4ccccc4)c3C)cc(c2)C(F)(F)F)CC1
CN1CCN(Cc2cc(NC(=O)c3cccc(C#Cc4cnc5cnc(cn45)-c4ccc(N)cc4)c3C)cc(c2)-c2ccccc2)CC1
O[C@H]1CCN(C1)C(=O)Nc1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
CN1CCN(Cc2cc(NC(=O)c3cccc(C#Cc4cnc5cnc(cn45)-c4ccc(N)cc4)c3C)cc(c2)C(F)(F)F)CC1
CC(C)c1c(cccc1C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)C#Cc1cnc2cnccn12
Cc1ccc2n(c(CCN3C(=O)c4cccc5cccc(C3=O)c45)nc2c1)-c1ccncc1
COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F
Fc1ccc2NC(=O)\C(=C3/S\C(NC3=O)=N/c3ccccc3Cl)c2c1
[#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6](=[#6]/c2ccc(-[#8])c(-[#8]-[#6])c2)\[#6](=O)\[#6]=[#6]\c2ccc(-[#8])c(-[#8]-[#6])c2)ccc1-[#8]
Cc1ccc(CCCCN2C(=O)N[C@H](Cc3c[nH]c4c(Cl)cccc34)C2=O)cc1C#Cc1cnc2cccnn12 |r|
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
COc1cc(C)cc2cc(sc12)-c1cn([C@H]2CCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
CN1CCN(Cc2ccc(NC(=O)CCSc3ccc4c(\C=C\c5ccccn5)n[nH]c4c3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3ncc4cccnn34)cc2C(F)(F)F)CC1
COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1
CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
COc1ccccc1\C=C\c1nc2ccccc2c(=O)[nH]1
COc1ccccc1\C=C\c1nc(Nc2ccc3OCOc3c2)c2ccccc2n1
Clc1ccc(cc1Cl)-c1cc(NC(=O)CC#N)cs1
Clc1ccc(cc1Cl)-c1csc(NC(=O)C2CC2)n1
Clc1ccc(cc1Cl)-c1nc(NC(=O)CC#N)cs1
Cn1cnnc1SCC(=O)Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)N1CCC(NC(=O)c2cccnn2)=N1 |c:22|
Clc1ccc(cc1Cl)N1CCC(NC(=O)c2ccncn2)=N1 |c:22|
Clc1ccc(cc1Cl)N1CCC(NC(=O)c2cccnc2)=N1 |c:22|
C[C@@H]1CC(NC(C)=O)=NN1c1ccc(Cl)c(Cl)c1 |r,c:7|
Fc1cccc(F)c1C(=O)Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)-c1c[nH]c(NC(=O)CC#N)n1
Clc1ccc(cc1Cl)N1CCC(NC(=O)c2cncnc2)=N1 |c:22|
Fc1cccc(F)c1C(=O)NC1=NN(CC1)c1ccc(Cl)c(Cl)c1 |t:12|
Clc1ccc(cc1Cl)-c1csc(NC(=O)CC#N)n1
Clc1ccc(cc1Cl)-c1nc(NC(=O)CC#N)ns1
CC(=O)Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)-c1csc(NC(=O)c2cncs2)n1
Clc1ccc(cc1Cl)-c1csc(NC(=O)c2cccnc2)n1
CC(=O)Nc1nc(cs1)-c1ccc(Cl)cc1
CC(=O)Nc1nc(cs1)-c1ccc(Cl)c(F)c1
CC(=O)Nc1nc(cs1)-c1cc(Cl)c(Cl)s1
CC(=O)Nc1nc(cs1)-c1ccc(Br)s1
Clc1ccc(cc1Cl)-n1ccc(NC(=O)CC#N)n1
Clc1ccc(cc1Cl)-c1nsc(NC(=O)CC#N)n1
NC1=NN(CC1)c1ccc(Cl)c(Cl)c1 |t:1|
Clc1ccc(cc1Cl)N1CCC(NC(=O)CC#N)=N1 |c:18|
Clc1ccc(cc1Cl)N1CCC(NC(=O)C2CCCC(=O)N2)=N1 |c:23|
Clc1ccc(cc1Cl)N1CCC(NC(=O)c2ccncc2)=N1 |c:22|
Fc1ncccc1C(=O)NC1=NN(CC1)c1ccc(Cl)c(Cl)c1 |t:11|
Fc1cnccc1C(=O)NC1=NN(CC1)c1ccc(Cl)c(Cl)c1 |t:11|
Cc1ncncc1C(=O)NC1=NN(CC1)c1ccc(Cl)c(Cl)c1 |t:11|
C[C@H]1CC(NC(C)=O)=NN1c1ccc(Cl)c(Cl)c1 |r,c:7|
OCCC1CN(N=C1NC(=O)c1ccncc1)c1ccc(Cl)c(Cl)c1 |c:6|
Fc1ccc(cc1)-c1nn(cc1C1NC(=O)NC1=O)-c1ccccc1
Cn1ncc(c1C(=O)Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)[N+]([O-])=O
CC(=O)Nc1nc(cs1)-c1cccc(Cl)c1
CC(=O)Nc1nc(cs1)-c1ccc(F)c(Cl)c1
CC(=O)Nc1nc(cs1)-c1nc(C)no1
Clc1ccc(cc1Cl)-c1csc(NC(=O)CC#N)c1
C[C@H](NC(C)=O)C(=O)NC1=NN(CC1)c1ccc(Cl)c(Cl)c1 |r,t:9|
Clc1ccc(cc1Cl)N1CCC(NC(=O)c2ccccn2)=N1 |c:22|
Clc1ccc(cc1Cl)N1CCC(NC(=O)c2ccnnc2)=N1 |c:22|
CC1CN(N=C1NC(C)=O)c1ccc(Cl)c(Cl)c1 |c:4|
C[C@H]1CN(N=C1NC(=O)c1cncnc1)c1ccc(Cl)c(Cl)c1 |r,c:4|
Clc1ccc(cc1Cl)-c1cccc(NC(=O)CC#N)n1
CC(=O)Nc1nc(cs1)-c1ccc(Cl)c(C)c1
CC(=O)NC1=NN(CC1)c2ccc(c(c2)Cl)Cl
C[C@@H]1CN(N=C1NC(C)=O)c1ccc(Cl)c(Cl)c1 |r,c:4|
OCCC1CN(N=C1NC(=O)c1cccnc1)c1ccc(Cl)c(Cl)c1 |c:6|
C[C@H]1CN(N=C1NC(C)=O)c1ccc(Cl)c(Cl)c1 |r,c:4|
CC(=O)Nc1nc(cs1)-c1cccc(O)c1
Clc1ccc(cc1Cl)N1CCC(NC(=O)CCC#N)=N1 |c:19|
CS(=O)(=O)Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1
COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O
CC[C@@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r|
C[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cccnc3)cc(c2)C(F)(F)F)CC1
CC(C)[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r|
CC[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r|
C[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r|
CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cncnc3)cc(c2)C(F)(F)F)CC1
C[C@@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
CC(C)[C@@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r|
C[C@@H]1CN(Cc2c1ccc(c2)C(=O)Nc3cc(cc(c3)C(F)(F)F)CN4CCN(CC4)C)c5cncnc5
CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3ccccc3)cc(c2)C(F)(F)F)CC1
C[C@@H](c1cc2cccnc2cc1F)n1cnc2ncc(nc12)-c1cnn(C)c1 |r|
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)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCC3C=NNC3C2)c(Cl)c1 |c:33|
COCCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C2CC2)CC1
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCN(CCO)CC2)c(Cl)c1
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCN(CCO)CC2)c(c1)C1CC1
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2Cc3cn[nH]c3C2)c(Cl)c1
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2Cc3ccc(O)cc3C2)c(Cl)c1
CCCCNc1ncnc2n(CC(Cl)c3ccccc3)ncc12
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCN(CC2)C(=O)CCCc2cn(CCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)nn2)c(c1)C(F)(F)F
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
CN1CCN(CC1)c1cccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccc(F)cc3)c2)c1
CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccc(F)cc3)c2)cc(c1)-c1cc(C)no1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccc(F)cc3)c2)cc(c1)N1CCOCC1
Cc1cn(cn1)-c1cc(CN2CCCC[C@H]2C(N)=O)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccc(F)cc3)c2)c1 |r|
Cc1cn(cn1)-c1cc(CN2CCCC[C@H]2C(O)=O)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccc(F)cc3)c2)c1 |r|
Cc1cn(cn1)-c1cc(CN2CCC[C@H](N)C2)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccc(F)cc3)c2)c1 |r|
CCCCc1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(c1)-n1cnc(C)c1
Cc1cn(cn1)-c1cc(CCS(N)(=O)=O)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)c1
Cc1cn(cn1)-c1cc(CCC(O)=O)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)c1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(\C=C\C(O)=O)c1
CN1CCN(Cc2cc(NC(=O)c3ccc(C)c(Nc4nccc(n4)-c4ccccc4)c3)cc(c2)-n2cnc(C)c2)CC1
CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(c1)-n1cnc(C)c1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(c1)N1CCNCC1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(c1)C(F)(F)F
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Oc3ccccc3)c2)cc(c1)C(F)(F)F
CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)cc2)cc(c1)-n1cnc(C)c1
CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Oc3ccccc3)c2)cc(c1)-n1cnc(C)c1
CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Oc3cccc4ccncc34)c2)cc(c1)-n1cnc(C)c1
CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(c2)C(=O)c2cccc(c2)C#N)cc(c1)-n1cnc(C)c1
Cc1cn(cn1)-c1cc(CN2CCC[C@H](N)C2)cc(NC(=O)c2ccc(C)c(Oc3ccccc3)c2)c1 |r|
COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1OC
COc1cc(Nc2ccnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC
Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(cc1)C(O)=O
C#Cc1nc(Nc2ccccc2)nc2[nH]cnc12
CCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
CCCCNc1nc2ccc(cc2[nH]1)[N+]([O-])=O
CCCCNc1nc2cc(ccc2s1)[N+]([O-])=O
CN1CCN(CC(=O)Nc2nc(C)c(s2)-c2ccc3c(\C=C\c4ccccn4)n[nH]c3c2)CC1
Nc1n[nH]c2cccc(C#Cc3cccc(NC(=O)c4ccc(N5CCOCC5)c(c4)C(F)(F)F)c3)c12
COc1cc(Nc2nc(NCc3cccc(NC(=O)CCl)c3)n3ccnc3c2C(N)=O)cc(OC)c1
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1
Clc1ccc(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)c(Cl)c1
Cc1cc(c(cc1Br)CNc2ncc(c(n2)NC3CCCCC3)C(=O)NCCCN4CCOC4=O)Br
Cc1cc(c(cc1Br)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Br
CCN(Cc1ccc(Cl)cc1)c1ncc(C(=O)NCCCN2CCCC2=O)c(NC2CCCC2)n1
Cc1ccc(cc1C#Cc1cc(cnc1N)-c1cnn(C)c1)C(=O)Nc1ccc(Cl)cc1Cl
Cc1ccc(cc1C#Cc1cc(cnc1N)-c1cnn(C)c1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
F[C@H]1C[C@H]1C(=O)Nc1nc2ccc(cc2s1)-c1ccccc1 |r|
Cc1ccccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
F[C@H]1C[C@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cccnc1 |r|
Cc1cccnc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1cnccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Cc1ncccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
CC(=O)Nc1nc2ccc(cc2s1)-c1cnccc1C
Cc1ccncc1-c1ccc2nc(NC(=O)[C@H]3C[C@@H]3F)sc2c1
Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2n1 |r|
Cc1ccncc1-c1cc2sc(NC(=O)[C@@H]3C[C@@H]3F)nc2cc1F
Cc1csc(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1
COc1ccccc1-c1c[nH]c2ncc(cc12)-c1ccc(N)c(c1)C(=O)N(C)C
CCc1c[nH]c2ncc(cc12)-c1ccc(N)c(c1)C(=O)N(C)C
COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(cc2)C(F)(F)F)n1
COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1
Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(F)cc2)n1
Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1
CN1CCN(CCNc2nccc(n2)-c2c(nc3sccn23)-c2cccc(O)c2)S1(=O)=O
CS(=O)(=O)N1CCCC(C1)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnc3ccccn23)cc1
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc4ncccc4c3)cc2)n(n1)-c1ccc2ncccc2c1
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
CO[C@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r|
c1cc2c(cc1CN3CCOCC3)nc([nH]2)c4c(c[nH]n4)NC(=O)NC5CC5
CC(C)c1cc(CNc2nc(Nc3cc([nH]n3)C3CC3)cc(n2)N2CCN(C)CC2)on1
CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(CC(=O)Nc3ccc(NC(=O)C4CC4)nc3)cc2)CC1
CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1cccc(OCCCOCC(=O)N2CCN(CC2)c2cc(Nc3ncc(s3)C(=O)Nc3c(C)cccc3Cl)nc(C)n2)c1 |r|
CC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
FC(F)(F)Oc1ccc(NC(=O)c2cncc(c2)-c2cccnc2)cc1
Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ncc(s1)C(=O)Nc1c(C)cccc1Cl
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2)CC1
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1cc(nc(C)n1)N1CCN(CCO)CC1
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1cc(Br)cc(c1)C(F)(F)F
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cn(C)cn3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Nc4nccc(n4)-c4cccnc4)c3)cc2C(F)(F)F)CC1
COc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)C#Cc2cnc3cccnn23)CC1
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1ccnc1
CCc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3cccnn23)cc(c1)C(F)(F)F
CC(C)c1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3cccnn23)cc(c1)C(F)(F)F
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(c1)C1CC1
Cc1ccn(c1)-c1cc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3cccnn23)cc(c1)C(F)(F)F
CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3cccnn23)cc(c1)C(F)(F)F
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc2ccccc12
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(c1)-c1ccccc1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3cccnn23)cc(c1)C(F)(F)F
Cc1cn(cn1)-c1cc(NC(=O)c2cccc(c2)C#Cc2cnc3cccnn23)cc(c1)C(F)(F)F
COc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1
FC(F)(F)c1cc(NC(=O)c2cccc(c2)C#Cc2cnc3cccnn23)cc(c1)-n1ccnc1
COc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(c1)C1CC1
FC(F)(F)c1cc(NC(=O)c2cccc(c2)C#Cc2cnc3cccnn23)cc(c1)-n1cnc(c1)C1CC1
COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cnn(C)c1
COC(=O)c1ccc2c(C(Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)c(O)[nH]c2c1
Brc1c[nH]c2ccc(Nc3ncnc4ccc(NC(=O)C=C)cc34)cc12
ClCCC(=O)Nc1ccc2ncnc(Nc3ccc4[nH]cc(Br)c4c3)c2c1
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|
CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
Cn1cc(cn1)NC(=O)c2cc(c[nH]2)C(=O)c3c(ccc(c3F)Cl)Cl
Cc1ccc(cc1Nc1cc(ccn1)-c1cccnc1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-c1cnn(C)c1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3cc(ccn3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Cc1ccc(cc1Nc1cc(ccn1)-c1cccnc1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-c1ccnn1C
Cc1noc(C)c1-c1cc(NC(=O)c2ccc(C)c(Nc3cc(ccn3)-c3cccnc3)c2)cc(c1)C(F)(F)F
COc1ccc(cc1)-c1cc(NC(=O)c2ccc(C)c(Nc3cc(ccn3)-c3cccnc3)c2)cc(c1)C(F)(F)F
CN(C)CCN(C)c1cc(NC(=O)c2ccc(C)c(Nc3cc(ccn3)-c3cccnc3)c2)cc(c1)C(F)(F)F
CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Nc3cc(ccn3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Cc1ccc(cc1Nc1cc(ccn1)-c1cccnc1)C(=O)Nc1cc(F)cc(c1)-c1cnn(C)c1
COc1ccc(cc1)-c1cc(F)cc(NC(=O)c2ccc(C)c(Nc3cc(ccn3)-c3cccnc3)c2)c1
Cc1ccc(cc1Nc1cc(ccn1)-c1cccnc1)C(=O)Nc1cc(cc(c1)-c1cnn(C)c1)C1CC1
Cc1cn(cn1)-c1ccc(NC(=O)c2ccc(C)c(Nc3cc(ccn3)-c3cccnc3)c2)cc1C(F)(F)F
Cc1ccc(cc1Nc1cc(ccn1)-c1cccnc1)C(=O)Nc1ccc(-c2cnn(C)c2)c(c1)C(F)(F)F
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Nc4cc(ccn4)-c4cccnc4)c3)cc2C(F)(F)F)CC1
Cc1ccc(cc1Nc1cc(ccn1)-c1cncnc1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-c1cnn(C)c1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Nc4cc(ccn4)-c4cncnc4)c3)cc2C(F)(F)F)CC1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3cc(ccn3)-c3ccc(F)nc3)c2)cc(c1)C(F)(F)F
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Nc4cc(ccn4)-c4ccc(F)nc4)c3)cc2C(F)(F)F)CC1
COc1ccc(cn1)-c1ccnc(Nc2cc(ccc2C)C(=O)Nc2cc(cc(c2)C(F)(F)F)-n2cnc(C)c2)c1
COc1ccc(cc1)-c1cc(NC(=O)c2ccc(C)c(Nc3cc(ccn3)-c3ccc(OC)nc3)c2)cc(c1)C(F)(F)F
COc1ccc(cn1)-c1ccnc(Nc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c1
Cc1ccc(cc1Nc1cc(ccn1)-c1cnc2ccccc2c1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-c1cnn(C)c1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3cc(ccn3)-c3cnc4ccccc4c3)c2)cc(c1)C(F)(F)F
CCN1CCN(Cc2ccc(NC(=O)Nc3nc4ccc(Oc5ccnc(c5)C(=O)NC)cc4s3)cc2C(F)(F)F)CC1
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(Nc3ccc(F)c(F)c3)c3ncn(CC4CC4)c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2nc(Nc3ccccc3)c3ncn(CC4CC4)c3n2)cc1
C[C@@H]1[C@@H](COS(=O)(=O)C=C)O[C@H]([C@@H]1OCC#C)n1nc(-c2ccc(C)cc2)c2c(N)ncnc12 |r|
C[C@@H]1[C@@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)O[C@H]([C@@H]1OCC#C)n1nc(-c2ccc(C)cc2)c2c(N)ncnc12 |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|
CN1CCN(C[C@H]2CC[C@@H](CC2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 |r,wU:9.12,wD:6.5,(-10.84,3.85,;-10.04,2.53,;-10.78,1.18,;-9.98,-.1,;-8.44,-.1,;-7.64,-1.38,;-6.1,-1.38,;-5.3,-2.7,;-3.76,-2.7,;-3.02,-1.32,;-3.82,0,;-5.36,0,;-1.48,-1.32,;-.71,-2.62,;-.74,.1,;.8,.1,;1.54,1.49,;3.08,1.49,;3.88,.17,;5.42,.17,;3.14,-1.18,;3.91,-2.51,;5.45,-2.51,;6.23,-3.85,;7.76,-3.85,;8.53,-2.51,;7.76,-1.18,;6.22,-1.18,;8.53,.16,;10.08,.16,;10.84,1.49,;10.07,2.82,;8.53,2.82,;7.76,1.49,;1.6,-1.18,;-7.7,1.25,;-8.5,2.53,)|
CN1CCN(C[C@H]2CC[C@H](C2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 |r|
CN1CCN(C[C@H]2C[C@H](C2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 |r,wU:6.5,8.10,(-10.36,3.78,;-9.56,2.46,;-10.29,1.11,;-9.48,-.16,;-7.94,-.16,;-7.14,-1.43,;-5.6,-1.43,;-4.54,-.31,;-3.42,-1.37,;-4.48,-2.49,;-1.88,-1.37,;-1.07,-2.64,;-1.15,.07,;.39,.07,;1.13,1.47,;2.67,1.47,;3.47,.16,;5.01,.16,;2.74,-1.2,;3.55,-2.46,;5.09,-2.46,;5.89,-3.78,;7.43,-3.78,;8.17,-2.38,;7.36,-1.07,;5.82,-1.07,;8.09,.29,;9.63,.29,;10.36,1.69,;9.56,3,;8.02,3,;7.28,1.6,;1.2,-1.2,;-7.21,1.2,;-8.02,2.46,)|
CN1CCN(C[C@H]2C[C@@H](C2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 |r,wU:8.10,wD:6.5,(-10.36,3.78,;-9.56,2.46,;-10.29,1.11,;-9.48,-.16,;-7.94,-.16,;-7.14,-1.43,;-5.6,-1.43,;-4.48,-2.49,;-3.42,-1.37,;-4.54,-.31,;-1.88,-1.37,;-1.07,-2.64,;-1.15,.07,;.39,.07,;1.13,1.47,;2.67,1.47,;3.47,.16,;5.01,.16,;2.74,-1.2,;3.55,-2.46,;5.09,-2.46,;5.89,-3.78,;7.43,-3.78,;8.17,-2.38,;7.36,-1.07,;5.82,-1.07,;8.09,.29,;9.63,.29,;10.36,1.69,;9.56,3,;8.02,3,;7.28,1.6,;1.2,-1.2,;-7.21,1.2,;-8.02,2.46,)|
CN1CCN(C[C@@H]2C[C@H]2C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 |r|
CN1CCN(C[C@H]2C[C@@H]2C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 |r|
CN1CCN(CC23CC(C2)(C3)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN1CCN(CCCCC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN1CCN(CCCCCC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(N3CCC(CC3)N3CCN(CCCCCCSc4cccc5C(=O)N(Cc45)C4CCC(=O)NC4=O)CC3)c(c2)-c2ccn[nH]2)cc1
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(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1cc(Cl)ccc1O
Cc1cc(cc2nnc(Nc3ccc(OCCCN4CCCC4)cc3)nc12)-c1cc(Cl)ccc1O
Cc1cc(cc2nnc(Nc3ccc(cc3)C(=O)NCCN3CCCC3)nc12)-c1cc(Cl)ccc1O
Cc1cc(cc2nnc(Nc3ccc(cc3)C(=O)N3CCNCC3)nc12)-c1cc(Cl)ccc1O
CN1CCN(CC1)C(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(Cl)ccc2O)cc1
Cc1cc(cc2nnc(Nc3ccc(cc3)C(=O)N3CCS(=O)(=O)CC3)nc12)-c1cc(Cl)ccc1O
Cc1cc(cc2nnc(Nc3ccc(cc3)S(N)(=O)=O)nc12)-c1cc(Cl)ccc1O
Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cc(Cl)ccc1O
CN(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(Cl)ccc2O)cc1
CCN(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(Cl)ccc2O)cc1
CC(C)N(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(Cl)ccc2O)cc1
CN(CCN1CCOCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(Cl)ccc2O)cc1
Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCNCC3)nc12)-c1cc(Cl)ccc1O
Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)CCCN3CCCC3)nc12)-c1cc(Cl)ccc1O
Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)C3CCNCC3)nc12)-c1cc(Cl)ccc1O
CCN(CC)CCN1CCC(CC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(Cl)ccc2O)cc1
CNc1ncc2cc(-c3cc(F)ccc3F)c(=O)n(CCCCN)c2n1
Cc1ccc(cc1Nc1cccc(c1)-c1cccnc1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-c1cnn(C)c1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3cccc(c3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Cc1noc(C)c1-c1cc(NC(=O)c2ccc(C)c(Nc3cccc(c3)-c3cccnc3)c2)cc(c1)C(F)(F)F
CN1C(=O)C(=O)c2c1cccc2Nc1cc(ccc1C)C(=O)Nc1cc(cc(c1)C(F)(F)F)-c1cnn(C)c1
CN1C(=O)C(=O)c2c1cccc2Nc1cc(ccc1C)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F
Cc1ccc(cc1NC(=O)c1cnc2[nH]ccc2c1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-c1cnn(C)c1
Cc1noc(C)c1-c1cc(NC(=O)c2ccc(C)c(NC(=O)c3cnc4[nH]ccc4c3)c2)cc(c1)C(F)(F)F
Cc1ccc(cc1Nc1cc(ccn1)-c1cccnc1)C#Cc1cc(cc(c1)C(F)(F)F)-c1cnn(C)c1
Cc1cn(cn1)-c1cc(cc(c1)C(F)(F)F)C#Cc1ccc(C)c(Nc2cc(ccn2)-c2cccnc2)c1
Cc1ccc(cc1NC(=O)c1cnc2[nH]ccc2c1)C#Cc1cc(cc(c1)C(F)(F)F)-c1cnn(C)c1
Cc1cc(Nc2ncc(C)c(n2)-c2cnn(CCC#N)c2)sn1
Cc1cc(Nc2ncc(C)c(n2)N2CCC(CC#N)CC2)sn1
Cc1cc(Nc2ncc(C)c(n2)N2CCN(CC#N)CC2)sn1
CC1CN(CCN1CC#N)c1nc(Nc2cc(C)ns2)ncc1C
C[C@H]1CN(CCN1CC#N)c1nc(Nc2cc(C)ns2)ncc1C |r|
Cc1cc(Nc2ncc(C)c(n2)N2CC3CCC(C2)N3CC#N)sn1 |TLB:20:19:15.16:12.13.18|
Cc1cc(Nc2ncc(C)c(n2)N2CC3CCC(C2)N3CCC#N)sn1 |THB:10:12:19:15.16|
Cc1cc(Nc2ncc(C)c(n2)N2CC3CCCC(C2)N3CC#N)sn1 |TLB:21:20:12.19.13:15.16.17,THB:10:12:20:15.16.17|
Cc1cc(Nc2ncc(C)c(n2)N2CC3CCCC(C2)N3CCC#N)sn1 |TLB:21:20:12.19.13:15.16.17|
Cc1cnc(Nc2cnn(C)c2)nc1N1CC2CCCC(C1)N2CC#N |TLB:23:22:14.21.15:17.18.19|
Cc1cnc(Nc2cnn(C)c2)nc1N1CC2CCCC(C1)N2CCC#N |TLB:23:22:17.18.19:14.21.15,THB:13:14:22:17.18.19|
Cc1cc(Nc2ncc(C)c(n2)N2CC(CCC#N)C2)sn1
Cc1cc(Nc2ncc(C)c(n2)N2CC(CC#N)C2)sn1
Cc1cc(Nc2ncc(C)c(n2)N2CC(C2)C2CC2)sn1
Cc1cc(sn1)Nc2ncc(c(n2)N3CC(C3)(C4CC4)O)C
Cc1cc(Nc2ncc(C)c(n2)N2CC(CC#N)(C2)OC2CC3(CC3)C2)sn1
Cc1cc(Nc2ncc(C)c(n2)N2CC(CC#N)(C2)N2CCCC2)sn1
Cc1cc(Nc2ncc(C)c(n2)N2CC(CC#N)(C2)N2CCCCC2)sn1
Cc1cc(sn1)Nc2ncc(c(n2)N3CC(C3)(CC#N)N4CCN(CC4)C)C
CN1CCN(CC1)C1(CC#N)CN(C1)c1nc(Nc2cnn(C)c2)ncc1C
Cc1cnc(Nc2cnn(C)c2)nc1-c1cnn(c1)[C@H](CC#N)C1CCCC1 |r|
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc2cc(OCCN3CCOCC3)ccn12
CCN1CCN(CCCOc2cc3nccc(Oc4c(F)cc(NC(=O)NN5C(SCC5=O)c5ccc(F)cc5F)cc4F)c3cc2OC)CC1
CCOc1cc(ccc1Nc1ncc2cc(-c3cccc(NC(=O)c4cccc(c4)C(F)(F)F)c3)c(=O)n(C[C@H]3CCCO3)c2n1)N1CCN(C)CC1 |r|
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(N)=O)c(OC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)OC)c(OC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(CO)c(OC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(O)=O)c(OC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)NC)c(OC)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)NCC(F)(F)F)c(OC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)NC2CC2)c(OC)c1
CCNC(=O)c1c(OC)cc(cc1OC(F)F)-n1cnc2cc(ccc12)-c1cnn(CC)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(C)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CCO)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CC(N)=O)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CC#N)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CCOC)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(c1)C1CCOCC1
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-n1cnc2cc(ccc12)-c1cnn(C)c1
CCc1nnc(o1)-c1c(OC)cc(cc1OC)-c1cnc2cc(ccn12)-c1cnn(C)c1
CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
FCCc1ccccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
FCCOc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Cc1ccc(NC(=O)c2cn(CCNS(=O)(=O)c3ccccc3)nn2)cc1Nc1nccc(-c2cccnc2)n1
Cc1ccc(NC(=O)c2cn(CCNS(=O)(=O)c3ccc(F)cc3C)nn2)cc1Nc1nccc(-c2cccnc2)n1
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(N3CCN(C(=O)OCCN4CCOCC4)CC3)ncn2)s1
C#CCN(C)C(=O)c1cncc(-c2cnc3[nH]cc(-c4cc(C=O)c(C#C)cc4OC)c3c2)c1
COc1cc(S(=O)(=O)F)ccc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)cc12
C#Cc1cc(OC)c(-c2ccc3nc(NC(=O)NCO)sc3c2)cc1C=O
C[C@@H]1COCCN1c1nc(-c2ccnc3[nH]ccc23)nc2c1ccn2S(C)(=O)=O
C[C@@H]1COCCN1c1nc(-c2cncc3[nH]ccc23)nc2c1ccn2S(C)(=O)=O
CN1CCN([C@H]2CC(F)(F)c3cc(NC(=O)c4ccc(F)c(C#Cc5cncc(N6CCOCC6)c5)c4)ccc32)CC1
CN1CCN([C@H]2CC(F)(F)c3cc(NC(=O)c4ccc(F)c(C#Cc5cncc(N6CCC6)c5)c4)ccc32)CC1
COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1F
O=S1(=O)NCCCNc2nc(ncc2-c2ccc(Cl)c(Cl)c2)Nc2cccc1c2
COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1Br
COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)c(F)cc1F
COc1c(F)ccc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)c1F
COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)c(F)cc1Cl
COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cc(ccc2OC)N3)ccc1F
COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cc(ccc2O)N3)ccc1F
COCCOc1ccc2cc1S(=O)(=O)NCCCNc1nc(ncc1-c1ccc(F)c(OC)c1)N2
c1ccc(c(c1)NC(=O)c2cnc3n2cc(cc3)C4CCNCC4)Cl
COc1cc(-c2n[nH]c3ncc(-c4ccc(C)c(NCCO)c4)cc23)cc(OC)c1OC
COc1cc(-c2n[nH]c3ncc(-c4cccc(O)c4)cc23)cc(OC)c1OC
COc1cc(-c2n[nH]c3ncc(-c4ccc(N)nc4)cc23)cc(OC)c1OC
COc1cc(-c2n[nH]c3ncc(-c4ccc(C)c(N)c4)cc23)cc(OC)c1OC
COc1cc(-c2n[nH]c3ncc(-c4cccc(N)c4)cc23)cc(OC)c1OC
COc1cc(-c2n[nH]c3ncc(-c4cccc5[nH]ncc45)cc23)cc(OC)c1OC
CCOc1cn(nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1)-c1ccc(F)cc1C
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
COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC
C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
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|
CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(-c2ccc3c(c2)C[C@@H](C(=O)O)NC3)n1
CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(-c2ccc3ncccc3c2)n1
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3C)c(F)c2)ccn1
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc4c(c3)CCNC4)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
CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc4ccnc5c4cc[nH]5)C
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(/C=C/c4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1
CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CN1c2ccsc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)S(=O)(=O)N)C