939 SMILES Strings for Smoothened homolog
Compound Name
SMILES String
Brc1ccc2[nH]c(-c3ccccc3)c(C(=O)c3ccccc3)c(=O)c2c1
C(C1CCCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
C(c1ccccc1)c1nnc(N2CCN(CC2)c2ccccc2)c2ccccc12
C(c1ccccc1)c1nnc(N2CCN(CC2)c2ccccn2)c2ccccc12
C(c1ccncc1)c1nnc(N2CCN(CC2)c2ccccn2)c2ccccc12
C1CCC(CC1)n1cnc2c(Nc3ccc(cc3)N3CCOCC3)nc(Oc3cccc4ccccc34)nc12
CC(=O)N1CCC(CC1)NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
CC(=O)N1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
CC(=O)N1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
CC(=O)N1CCN(CC1)c1ncc(Cl)c(n1)-c1ncccc1C
CC(=O)N1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12
CC(=O)N1CCn2c(C1)c(O)n([C@H]1C[C@@H]1c1ccccc1)c2=O |r|
CC(=O)NC1(CNC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)CCCC1
CC(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
CC(=O)NCc1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
CC(=O)N[C@@H]1C\C=C\CCC(=O)N[C@@H](COC1=O)c1ccccc1 |r,t:6|
CC(=O)Nc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(cc4)C(F)(F)F)cc3C2)cc1 |r|
CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)C2CC2)c1
CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)Cc2ccccc2)c1
CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2ccc(C)cc2)c1
CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2ccc(Cl)cc2)c1
CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2ccc(F)cc2)c1
CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2cccc(Cl)c2)c1
CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2cccc(F)c2)c1
CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2ccccc2)c1
CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2ccccc2Cl)c1
CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(=O)c2ccccc2F)c1
CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NC(C#N)c2ccccc2)c1
CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NCc2ccccc2)c1
CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
CC(=O)c1cccc(c1)C(=O)Nc1ccc(cc1)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@@](C)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
CC(C)(C)C(=O)N1CCn2c(C1)c(O)n([C@H]1C[C@@H]1c1ccccc1)c2=O |r|
CC(C)(C)C(=O)NCc1ccc2n(ncc2c1)-c1ccc(F)cc1
CC(C)(C)OC(=O)C[C@@H]1C\C=C\CCC(=O)N[C@@H](COC1=O)c1ccccc1 |r,t:10|
CC(C)(C)OC(=O)NC1(CNC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)CCCC1
CC(C)(CNC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1)N1CCOCC1
CC(C)(N)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
CC(C)(O)CC(=O)N1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
CC(C)(O)CC(=O)NC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
CC(C)(O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
CC(C)C(=O)N1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
CC(C)C(=O)NCc1ccc2n(ncc2c1)-c1ccc(F)cc1
CC(C)CNC(=O)C1CCN(CC1)c1nnc(s1)-n1cccc1CNc1ccc(C)cc1
CC(C)COC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
CC(C)N1CCCC1CNC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
CC(C)NC(=O)C1CCN(CC1)c1nnc(s1)-n1cccc1CNc1ccc(C)cc1
CC(C)NC1(CNC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)CCCC1
CC(C)N[C@H]1C\C=C\C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)NC[C@H](OC1=O)c1ccccc1 |r,t:6|
CC(C)OC(=O)c1cn2CCN(Cc2n1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
CC(C)Oc1ccc(cc1)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1C
CC(C)[C@@H]1COC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C\C=C\CCC(=O)N1 |r,t:23|
CC(C)c1ccc(NC(=O)c2cc(ccc2F)S(=O)(=O)N2CCN(CC2)c2ccccc2F)cc1
CC(C)c1ccc(cc1)-c1nnc(N2CCN(C[C@H]2C)C(=O)c2ccccc2)c2ccccc12 |r|
CC(C)c1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
CC(C)c1ccccc1NC(=O)N1CCn2c(C1)c(O)n([C@H]1C[C@@H]1c1ccccc1)c2=O |r|
CC(C)c1nn(C)c2CCN(Cc12)C(=O)C1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
CC(CNC(=O)c1ccc2NC(CS(=O)(=O)Cc3ccc(F)cc3Cl)C(=O)Nc2c1)N1CCC(C)CC1
CC(NC(=O)C1CCN(CC1)c1nccn2nc(cc12)-c1ccc(C)c(C)c1)c1ccccc1
CC(N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1)c1ccccc1 |r|
CC(O)(CO)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
CC(O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
CC(O)c1ccnn1-c1nnc(s1)N1CCC(CC1)C(=O)NC1CCCCC1C
CC1(CCN(CC1)C(=O)Nc1ccccc1Cl)c1nc(no1)-c1ccc2ccccc2n1
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-c1ccccc1CNc1ccc(C)cn1
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-c1ccnn1C
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-c1cnn(C)c1CNc1ccc(C)cn1
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1cccc1CNc1ccc(C)cc1
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1cccc1CNc1ccc(C)cn1
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1cccc1CNc1ccc(C)nc1
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1cccn1
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nc(C)cc1C
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CCc1ccc(C)cn1
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ccc(C)cc1
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ccc(C)cn1
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ccc(C)nc1
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ccc(C)nn1
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ccccn1
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1cccnc1
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1cnc(C)cn1
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ncc(C)cn1
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CO
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1COc1ccc(C)cn1
CC1CN(CC(C)N1)C(=O)c1cn2CCN(Cc2n1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
CC1CN(CCC1c1nc(no1)-c1ccc2ccccc2n1)C(=O)Nc1ccccc1Cl
CC1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)N2CCN(CC2)c2ccccc2)n1
CC1N(Cc2ccccc2)C(=O)N(C1=O)c1ccc(Cl)cc1
CCC(=O)Nc1cn2CCN(Cc2n1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
CCC(CC)C(=O)NCc1ccc2n(ncc2c1)-c1ccc(F)cc1
CCC(Sc1nnc2n1ccn(-c1ccc(C)c(C)c1)c2=O)C(=O)Nc1ccccc1C
CCCC(C)(C)C(=O)NCc1ccc2n(ncc2c1)-c1ccc(F)cc1
CCCC(C)C(=O)NCc1ccc2n(ncc2c1)-c1ccc(F)cc1
CCCC(CCC)C(=O)N(C)Cc1ccc2n(ncc2c1)-c1ccc(F)cc1
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1c(C)cccc1C |(26.82,-4.39,;26.05,-5.72,;24.51,-5.72,;23.74,-7.06,;24.51,-8.39,;26.05,-8.39,;26.82,-9.72,;22.2,-7.06,;21.43,-5.72,;21.43,-8.39,;19.89,-8.39,;19.12,-9.72,;17.58,-9.72,;16.81,-11.06,;17.58,-12.39,;17.1,-13.85,;18.35,-14.76,;19.6,-13.85,;19.12,-12.39,;19.89,-11.06,;15.64,-14.33,;14.5,-13.3,;14.82,-11.79,;13.03,-13.78,;12.71,-15.28,;13.86,-16.31,;15.32,-15.84,;16.46,-16.87,)|
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1ccc(C)cc1
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1ccc(Cl)cc1
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1ccc(F)cc1
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1ccc(OC)cc1
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1ccc(OC)nc1
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1ccc(cc1)C(=O)OC(C)(C)C
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1ccc(cc1)C(C)=O
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1cccc(C)c1
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1cccc(C)c1C
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1cccc(F)c1
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1cccc(OC)c1
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1cccc2CCCCc12
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1ccccc1
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1ccccc1C
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1ccccc1F
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1ccccc1OC
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1ccccn1
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1cccnc1
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1cccnc1OC
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1ccncc1
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1cnccn1
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1ncccn1
CCCCC(=O)NCc1ccc2n(ncc2c1)-c1ccc(F)cc1
CCCCCCNC(=O)N1CCn2c(C1)c(O)n([C@H]1C[C@@H]1c1ccccc1)c2=O |r|
CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)NCCCC)c1=O
CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OC(C)(C)C)c1=O
CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OC(C)C)c1=O
CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCC)c1=O
CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c1=O
CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCCCC)c1=O
CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCc2ccccc2)c1=O
CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(O)=O)c1=O
CCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCC)c1=O
CCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c1=O
CCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCCCC)c1=O
CCCCN(CCCC)C(=O)N1CCn2c(C1)c(O)n([C@H]1C[C@@H]1c1ccccc1)c2=O |r|
CCCC[C@@H]1COC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C\C=C\CCC(=O)N1 |r,t:24|
CCCCn1c(O)c2CN(CCn2c1=O)C(=O)Nc1ccccc1-c1ccccc1
CCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c1=O
CCCN(CCC)C(=O)N(C)Cc1ccc2n(ncc2c1)-c1ccc(F)cc1
CCCN(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1ccc(F)cc1
CCCNC(=O)COC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(C)ccc3n(CCC)c2=O)cc1
CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(Cl)ccc3n(CCC)c2=O)cc1
CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(F)ccc3n(CCC)c2=O)cc1
CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(OC)c(OC)cc3n(CCC)c2=O)cc1
CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cccc4CCCn(c34)c2=O)cc1
CCCOC(=O)c1ccc(NC(=O)c2c(O)c3ccccc3n(CC=C)c2=O)cc1
CCCOC(=O)c1ccc(NC(=O)c2c(O)c3ccccc3n(CCC)c2=O)cc1
CCN(CC)C(=O)COC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
CCN(CC)C1(CNC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)CCCC1
CCN1CCCC1CNC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
CCN1CCCCC1CNC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
CCN1CCOCC1CNC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
CCNC(=O)C1CCN(CC1)c1nnc(s1)-n1cccc1CNc1ccc(C)cc1
CCNC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
CCNC(=O)c1cn2CCN(Cc2n1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
CCNC1(CNC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)CCCC1
CCOC(=O)N1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
CCOC(=O)c1cn2CCN(Cc2n1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
CCS(=O)(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
CCS(=O)(=O)NC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
CCc1cc2n(C)c(C(=O)NC3CCN(CC3)C(=O)CO)c(OCC(F)(F)F)c2c(=O)n1CC(=O)c1ccccc1
CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)Cc1ccc(Cl)cc1
CN(C(=O)Cn1c2ccsc2c(=O)n(CCCC(=O)NCc2ccccc2)c1=O)c1ccccc1
CN(C(=O)N1CCn2c(C1)c(O)n([C@H]1C[C@@H]1c1ccccc1)c2=O)c1ccccc1-c1ccccc1 |r|
CN(C)C(=O)N1CCn2c(C1)c(O)n([C@H]1C[C@@H]1c1ccccc1)c2=O |r|
CN(C)C(=O)c1cc(Cl)c(NC(=O)N2CCn3c(C2)c(O)n([C@H]2C[C@@H]2c2ccccc2)c3=O)c(Cl)c1 |r|
CN(C)C1(CNC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)CCCC1
CN(C)CC(=O)N1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
CN(C)CC(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
CN(C)CC(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(F)cc1C
CN(C)CC(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
CN(C)CC(=O)NC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
CN(C)Cc1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
CN(C)c1cccc(c1)C(=O)Nc1ccc(C)c(NC(=O)c2ccc(OCc3ccccn3)cc2)c1
CN(C1CCN(CC1)C(=O)c1ccccc1Nc1ccc(cc1)-c1ccccc1)C(=O)c1ccc(F)cc1C(F)(F)F
CN(C1CCN(CC1)C(=O)c1ccccc1Nc1ccc(cc1)C#N)C(=O)c1ccc(F)cc1C(F)(F)F
CN(C1CCN(CC1)C(=O)c1ccccc1Nc1ccc(cc1)C(O)=O)C(=O)c1ccc(F)cc1C(F)(F)F
CN(C1CCN(CC1)C(=O)c1ccccc1Nc1ccccc1)C(=O)c1ccc(F)cc1C(F)(F)F
CN(C1CCN(CC1)C(=O)c1ccccc1Nc1ccccc1C#N)C(=O)c1ccc(F)cc1C(F)(F)F
CN(C1CCN(CC1)C(=O)c1ccccc1Nc1ccccn1)C(=O)c1ccc(F)cc1C(F)(F)F
CN(C1CCN(CC1)C(=O)c1ccccc1Nc1ccncc1)C(=O)c1ccc(F)cc1C(F)(F)F
CN(C1CCN(CC1)C(=O)c1ccccc1Nc1ccnn1C)C(=O)c1ccc(F)cc1
CN(C1CCN(CC1)C(=O)c1ccccc1Nc1ccnn1C)C(=O)c1ccc(F)cc1C(F)(F)F
CN(C1CCN(CC1)C(=O)c1ccccc1Nc1ccnn1C)C(=O)c1ccc(cc1)C#N
CN(C1CCN(CC1)C(=O)c1ccccc1Nc1ccnn1C)C(=O)c1ccc(cc1)C(C)=O
CN(C1CCN(CC1)C(=O)c1ccccc1Nc1ccnn1C)C(=O)c1ccc(cc1)C(F)(F)F
CN(C1CCN(CC1)C(=O)c1ccccc1Nc1ccnn1C)C(=O)c1ccc(cc1)S(C)(=O)=O
CN(C1CCN(CC1)C(=O)c1ccccc1Nc1ccnn1C)C(=O)c1ccc(cc1)[N+]([O-])=O
CN(C1CCN(CC1)C(=O)c1cccnc1Nc1ccccc1)C(=O)c1ccc(F)cc1C(F)(F)F
CN(C1CCN(CC1)c1nnc(-c2ccnn2C)c2ccccc12)C(=O)c1ccc(F)cc1C(F)(F)F
CN(C1CCN(CC1)c1nnc(s1)-c1ccnn1C)C(=O)c1ccc(F)cc1C(F)(F)F
CN(CCO)C(=O)c1cn2CCN(Cc2n1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
CN([C@@H]1CS(=O)(=O)C[C@H]1O)C(=O)C1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C |r|
CN([C@@H]1CS(=O)(=O)C[C@H]1O)C(=O)C1CN(C1)c1cc(c(Cl)cn1)-c1ncccc1C |r|
CN1CC2(CCN(CC2)c2cc(c(Cl)cn2)-c2ncccc2C)OC1=O
CN1CCC(CC1)NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
CN1CCC2(CC1)CC(CCO2)NC(=O)C1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
CN1CCN(CC1)C(=O)C[C@@H]1C\C=C\CCC(=O)O[C@@H](CNC1=O)c1ccccc1 |r,t:13|
CN1CCN(CC1)C1(CNC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)CCCC1
CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc(Cl)cc1 |r|
CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc(cc1)C#N |r|
CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc(cc1)C(F)(F)F |r|
CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc2OCCOc2c1 |r|
CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1cccc(c1)C#N |r|
CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccccc1 |r|
CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1cccnc1 |r|
CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)c1ccc2OCCOc2c1 |r|
CN1CCc2ccccc2C1CNC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
CN1C[C@H](OC(=O)CC\C=C\C[C@@H](Cc2ccc(Cl)cc2)C1=O)c1ccccc1 |r,t:9|
CNC(=O)c1cn2CCN(Cc2n1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccnc(OC)c1)C(=O)c1sc2ccccc2c1Cl |r,wU:5.8,wD:2.1,(20.16,-28.58,;19.54,-27.51,;20.3,-26.18,;21.84,-26.18,;22.61,-24.84,;21.85,-23.5,;20.3,-23.5,;19.53,-24.84,;22.61,-22.16,;21.84,-20.84,;20.3,-20.84,;19.52,-22.17,;17.98,-22.17,;17.22,-20.84,;17.98,-19.5,;19.52,-19.5,;17.22,-18.17,;15.67,-18.17,;14.9,-16.83,;15.67,-15.5,;17.21,-15.5,;17.99,-14.17,;19.22,-14.17,;17.98,-16.83,;24.15,-22.16,;24.76,-21.1,;24.93,-23.5,;24.3,-24.91,;25.45,-25.94,;25.45,-27.48,;26.78,-28.25,;28.12,-27.47,;28.12,-25.93,;26.78,-25.16,;26.46,-23.65,;27.28,-22.74,)|
CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccnc(OCCOCCOCCOCCn2cc(COCCO)nn2)c1)C(=O)c1sc2ccccc2c1Cl |r,wU:5.8,wD:2.1,(41.05,-21.39,;40.43,-22.46,;38.89,-22.46,;38.12,-21.13,;36.59,-21.13,;35.82,-22.46,;36.59,-23.79,;38.12,-23.79,;34.27,-22.46,;33.5,-21.13,;34.27,-19.79,;35.81,-19.79,;36.57,-18.45,;35.8,-17.13,;34.26,-17.13,;33.49,-18.46,;33.49,-15.8,;34.25,-14.46,;33.47,-13.13,;31.93,-13.13,;31.17,-14.48,;29.63,-14.48,;28.87,-15.82,;27.33,-15.82,;26.57,-17.17,;25.03,-17.17,;24.27,-18.52,;22.73,-18.52,;21.97,-19.87,;20.43,-19.87,;19.67,-21.22,;18.12,-21.22,;17.36,-22.58,;15.82,-22.58,;14.94,-21.34,;13.48,-21.83,;12.23,-20.93,;10.82,-21.57,;9.57,-20.67,;8.17,-21.3,;7.17,-20.59,;13.48,-23.36,;14.96,-23.83,;31.95,-15.8,;33.5,-23.79,;32.27,-23.79,;34.28,-25.12,;35.81,-25.28,;36.13,-26.78,;37.46,-27.55,;37.46,-29.09,;36.14,-29.87,;34.8,-29.1,;34.8,-27.56,;33.65,-26.53,;32.45,-26.79,)|
CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccncc1)C(=O)c1sc2ccccc2c1Cl |r,wU:5.8,wD:2.1,(8.79,-24.79,;10.12,-24.01,;10.12,-22.47,;11.45,-21.7,;11.45,-20.15,;10.12,-19.4,;8.78,-20.17,;8.78,-21.7,;10.11,-17.86,;8.77,-17.1,;7.44,-17.87,;7.45,-19.42,;6.11,-20.19,;4.78,-19.43,;4.78,-17.88,;6.11,-17.11,;3.45,-17.12,;2.12,-17.89,;.78,-17.12,;.78,-15.57,;2.11,-14.8,;3.45,-15.57,;11.44,-17.08,;11.43,-15.54,;12.67,-18,;12.65,-19.54,;14.11,-20.02,;14.71,-21.43,;16.24,-21.62,;17.16,-20.38,;16.55,-18.97,;15.03,-18.79,;14.14,-17.54,;14.63,-16.08,)|
COC(=O)N1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
COC(=O)N1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
COC(=O)N1CCN(CC1)c1ncc(Cl)c(n1)-c1ncccc1C
COC(=O)N1CCn2c(C1)c(O)n([C@H]1C[C@@H]1c1ccccc1)c2=O |r|
COC(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
COC(=O)NC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1
COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1 |r|
COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1 |r|
COC(=O)[C@H](C)c1ccc(C)c2ccc(nc12)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r|
COC(=O)c1ccc(COc2cc(ccc2OC)-c2coc3cc(OC)cc(OC)c3c2=O)cc1
COC(=O)c1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1
COC(=O)c1cccc(NC(=O)N2CCn3c(C2)c(O)n([C@H]2C[C@@H]2c2ccccc2)c3=O)c1Cl |r|
COC1CCN(CC1)C1(CNC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)CCCC1
COCC(=O)N1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
COCC(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
COCC(=O)Nc1cn2CCN(Cc2n1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
COCCC(=O)N1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
COCCC(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
COCCS(=O)(=O)N1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
COCCS(=O)(=O)N1CCN(CC1)c1cc(ccn1)-c1ncc(C)cc1C
COCCS(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
COCCS(=O)(=O)NC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
COC[C@H]1CCCN1C(=O)c1cn2CCN(Cc2n1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C |r|
COc1cc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc32)cnc1-c1ccnc(C)c1
COc1cc(F)ccc1S(=O)(=O)NCCNc1nc(nc2ccccc12)-c1ccc(F)cc1
COc1cc(OC)c2c(c1)occ(-c1ccc(OC)c(OCc3ccc(cc3)C#N)c1)c2=O
COc1cc(OC)c2c(c1)occ(-c1ccc(OC)c(OCc3ccc(cc3)C(F)(F)F)c1)c2=O
COc1cc(OC)c2c(c1)occ(-c1ccc(OC)c(OCc3ccc(cc3)C(N)=O)c1)c2=O
COc1cc(OC)c2c(c1)occ(-c1ccc(OC)c(OCc3ccc(cc3)[N+]([O-])=O)c1)c2=O
COc1cc(OC)c2c(c1)occ(-c1ccc(OC)c(OCc3ccccc3)c1)c2=O
COc1cc(OC)c2c(c1)occ(-c1ccc(OCc3ccc(cc3)C(F)(F)F)c(OC)c1)c2=O
COc1cc(OC)c2c(c1)occ(-c1ccc(OCc3ccccc3)c(OC)c1)c2=O
COc1cc(OC)c2c(c1)occ(-c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)c2=O
COc1cc(OC)c2c(c1)occ(-c1cccc(O)c1)c2=O
COc1cc(OC)c2c(c1)occ(-c1cccc(OCc3ccc(cc3)C(F)(F)F)c1)c2=O
COc1cc(OC)cc(c1)C(=O)Nc1ccc(C)c(c1)-c1nc(c[nH]1)-c1ccccc1
COc1cc(OC)cc(c1)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccc(cc2[nH]1)N(C)C
COc1cc(cc(OC)c1OC)C(=O)NC(=N)Nc1cccc(NC(=O)c2cn3ccsc3n2)c1
COc1cc(cc(OC)c1OC)C(=O)NC(=O)Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1
COc1cc(cc(OC)c1OC)C(=O)NC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1
COc1cc(cc(OC)c1OC)C(=O)NC(=O)Nc1cccc(NC(=O)c2cc3ccccc3[nH]2)c1
COc1cc(cc(OC)c1OC)C(=O)NC(=O)Nc1cccc(NC(=O)c2ccccc2)c1
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)c1
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(C)c(c1)C(=O)Nc1ccccc1
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(Cl)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(Cl)c(c1)C(=O)Nc1ccccc1
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)c1
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(cc2)-c2ccccc2)c1
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1cccc(c1)-c1cc2ccccc2[nH]1
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1cccc(c1)-c1cn2ccccc2n1
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1cccc(c1)-c1cn2ccsc2n1
COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)c1 |w:17.18|
COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1 |w:17.18|
COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1ccc(C)c(NC(=O)c2cccc(c2)-c2ccccc2)c1 |w:17.18|
COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1ccc(C)c(c1)C(=O)Nc1ccccc1 |w:17.18|
COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1ccc(Cl)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1 |w:17.18|
COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1 |w:17.18|
COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1ccc(Cl)c(c1)C(=O)Nc1ccccc1 |w:17.18|
COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1cccc(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)c1 |w:17.18|
COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1cccc(NC(=O)c2ccc(cc2)N2CCOCC2)c1 |w:17.18|
COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1cccc(NC(=O)c2ccccc2)c1 |w:17.18|
COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1cccc(c1)-c1cc2ccccc2[nH]1 |w:17.18|
COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1cccc(c1)-n1ccc2ccccc12 |w:17.18|
COc1cc(nc2ccccc12)-c1noc(n1)C1CCN(CC1)C(=O)Nc1ccccc1Cl
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
COc1cc2ccccc2nc1-c1noc(n1)C1CCN(CC1)C(=O)Nc1ccccc1Cl
COc1ccc(-c2ccc(cc2)C(F)(F)F)c(c1)C(=O)Nc1ccc2CC(Cc2c1)NCc1ccccn1
COc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(cc4)C(F)(F)F)cc3C2)cc1 |r|
COc1ccc(Cl)cc1NC(=O)c1ccc(cc1)-n1nc(OCc2cccc(F)c2)ccc1=O
COc1ccc(NC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)cc1
COc1ccc(NC(=O)N[C@@H]2CCN(C)[C@H](C2)c2nc3ccccc3[nH]2)cc1 |r|
COc1ccc(Nc2ccccc2C(=O)N2CCC(CC2)N(C)C(=O)c2ccc(F)cc2C(F)(F)F)cc1
COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1
COc1ccc(cc1)-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12
COc1ccc(cc1)-n1nc(C(=O)NCC(=O)Nc2nc3ccccc3s2)c2ccccc2c1=O
COc1ccc(cc1)C(=O)N(C)C1CCN(CC1)C(=O)c1ccccc1Nc1ccnn1C
COc1ccc(cc1)N1CCN(Cc2c(C)nn(c2C)-c2ccc(F)cc2)CC1
COc1ccc(cc1)N1CCN(Cc2cn(nc2C)-c2ccccc2)CC1
COc1ccc(cc1)N1CCN(Cc2cnn(c2C)-c2ccccc2)CC1
COc1ccc2[nH]cc(CCNC(=O)c3ccccc3NC(=O)c3nsc4ccccc34)c2c1
COc1ccc2ccc(nc2c1)-c1noc(n1)C1CCN(CC1)C(=O)Nc1ccccc1Cl
COc1ccc2nc(ccc2c1)-c1noc(n1)C1CCN(CC1)C(=O)Nc1ccccc1Cl
COc1cccc(CN([C@H]2C[C@H](N(Cc3ccc4OCOc4c3)C2)C(=O)N2CCNCC2)C(=O)CC(C)(C)C)c1 |r|
COc1cccc(F)c1OC1CN(Cc2cnn(c2C)-c2ccccc2)C1
COc1cccc(NC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)c1
COc1cccc(c1)-c1ncccc1NC(=O)N1CCn2c(C1)c(O)n([C@H]1C[C@@H]1c1ccccc1)c2=O |r|
COc1cccc(c1)-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12
COc1cccc(c1)C(=O)Nc1ccc(cc1)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@@](C)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
COc1cccc(c1)C(=O)c1c([nH]c2ccccc2c1=O)-c1ccccc1
COc1cccc(c1)N1CCN(Cc2c(C)nn(c2C)-c2ccc(F)cc2)CC1
COc1cccc(c1)N1CCN(Cc2cnn(c2C)-c2ccc(F)cc2)CC1
COc1cccc2C3CC(C)(Oc12)N(C(=O)N3)c1cccc(c1)C(=O)N1CCN(CC1)c1ccccc1F |TLB:5:6:13.14.16:8,17:13:12.6.11:8,THB:15:14:12.6.11:8|
COc1cccc2ccc(nc12)-c1noc(n1)C1CCN(CC1)C(=O)Nc1ccccc1Cl
COc1cccc2nc(ccc12)-c1noc(n1)C1CCN(CC1)C(=O)Nc1ccccc1Cl
COc1ccccc1CNC(=O)C1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
COc1ccccc1N(C)C(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
COc1ccccc1N1CCN(Cc2c(C)nn(c2C)-c2ccccc2)CC1
COc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1cc2ccccc2cn1
COc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2c1
COc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
COc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccccc1
COc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccccc1C
COc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccccn1
COc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1cccnc1
COc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccncc1
COc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1cnc2ccccc2c1
COc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1cnccn1
COc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1nccc2ccccc12
COc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ncccn1
COc1ccccc1NC(=O)N1CCC(CC1)c1nnc(o1)-c1ccc2ccccc2n1
COc1ccccc1NC(=O)N1CCC(CC1)c1noc(n1)-c1ccc2ccccc2n1
COc1ccccc1NC(=O)N1CCn2c(C1)c(O)n([C@H]1C[C@@H]1c1ccccc1)c2=O |r|
COc1ccccc1Nc1ccccc1C(=O)N1CCC(CC1)N(C)C(=O)c1ccc(F)cc1C(F)(F)F
COc1ccccc1OC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
COc1cnc(NC(=O)C2CCN(CC2)c2cc(c(Cl)cn2)-c2ncccc2C)cn1
CS(=O)(=O)CC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
CS(=O)(=O)CC1CCN(CC1)c1ncc(Cl)c(n1)-c1ccccn1
CS(=O)(=O)CCC(=O)N1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
CS(=O)(=O)CCC(=O)NC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
CS(=O)(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ccc(Cl)cn1
CS(=O)(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ccc(F)cn1
CS(=O)(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ccc(cn1)C(F)(F)F
CS(=O)(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(Cl)cc1Cl
CS(=O)(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(Cl)cc1F
CS(=O)(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1Cl
CS(=O)(=O)NC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
CS(=O)(=O)NC1CCN(CC1)c1ncc(Cl)c(c1F)-c1ccccn1
CS(=O)(=O)NC1CCN(CC1)c1ncc(Cl)c(n1)-c1ccccn1
CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCn3c(C2)c(O)n([C@H]2C[C@@H]2c2ccccc2)c3=O)c(Cl)c1 |r|
CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)Nc3ccc(cc3Cl)C(F)(F)F)c2)c(Cl)c1
CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1
CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)C(=O)Nc2cccc(O)c2)c(Cl)c1
CS(=O)(=O)c1ccc(Cl)c(NC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)c1
CS(=O)(=O)c1ccc(NC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)c(Cl)c1
C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ccc(C)cn1 |r|
C[C@@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccccc2)c2ccccc12 |r|
C[C@@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccc(Cl)cc12 |r|
C[C@@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccc(cc12)C#N |r|
C[C@@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccccc12 |r|
C[C@@H]1CN(CCN1c1cnc(cn1)C(C)(C)O)c1nnc(Cc2ccccc2)c(C)c1C |r|
C[C@@H]1CN(CCN1c1cnc(cn1)C(C)(C)O)c1nnc(Cc2ccccc2)s1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2ccc(C)cc2)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2ccc(CC(N)=O)cc2)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2ccc(CO)cc2)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2ccc(Cl)cc2)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2ccc(OC(C)=O)cc2)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C#N)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(C)(C)C)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(F)(F)F)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(F)(F)F)c2ccncc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(N)=O)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(O)=O)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C2CC2)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)N(C)C)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)N2CCOCC2)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2ccccc2)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2ccccc2)c2cccnc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2ccccc2)c2ccncc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2ccccc2)c2cnccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2ccccc2)c2ncccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2ccccn2)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2cccnc2)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2ccncc2)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2cncnc2)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-c2ncco2)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-n2ccc3ccccc23)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-n2cccc2)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(-n2ccnc2)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nnc(Cc2ccccc2)c2ccccc12)c1ccc(cn1)C#N |r|
C[C@@H]1CN(CCN1c1nnc(N2C=CCC=N2)c2ccccc12)C(=O)c1ccccc1 |r,c:13,16|
C[C@@H]1CN(CCO1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)nccc2c1 |r|
C[C@@H]1CN(CCO1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)nccc2n1 |r|
C[C@@H]1C[C@@H](CCN1C(=O)Nc1ccccc1Cl)c1nc(no1)-c1ccc2ccccc2n1 |r|
C[C@@H]1C\C=C\CCC(=O)N[C@@H](COC1=O)c1ccccc1 |r,t:3|
C[C@@H]1N(C(=O)N(C1=O)c1ccc(Cl)cc1)c1ccccc1 |r|
C[C@@H]1N(CC2CCCCC2)C(=O)N(C1=O)c1ccc(Cl)cc1 |r|
C[C@@H]1N(CCc2ccccc2)C(=O)N(C1=O)c1ccc(Cl)cc1 |r|
C[C@@H]1N(Cc2c(F)c(F)c(F)c(F)c2F)C(=O)N(C1=O)c1ccc(Cl)cc1 |r|
C[C@@H]1N(Cc2ccc(cc2)N=[N+]=[N-])C(=O)N(C1=O)c1ccc(Cl)cc1 |r|
C[C@@H]1N(Cc2ccc(cc2)N=[N+]=[N-])C(=O)N(C1=O)c1ccc(OCC#C)cc1 |r|
C[C@@H]1N(Cc2ccccc2)C(=O)N(C1=O)c1c(F)c(F)c(F)c(F)c1F |r|
C[C@@H]1N(Cc2ccccc2)C(=O)N(C1=O)c1ccc(Cl)cc1 |r|
C[C@@H]1N(Cc2ccccc2)C(=O)N(C1=O)c1ccc(cc1)N=[N+]=[N-] |r|
C[C@@H]1N(Cc2ccccc2)C(=O)N(C2CCCCC2)C1=O |r|
C[C@@H]1N(Cc2ccccc2)C(=O)N(Cc2ccc(Cl)cc2)C1=O |r|
C[C@@H]1N(Cc2ccccc2)C(=S)N(C1=O)c1ccc(Cl)cc1 |r|
C[C@@H]1NC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C\C=C\CCC(=O)O[C@@H]1c1ccccc1 |r,t:20|
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C |r,c:32,t:18|
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)NS(C)(=O)=O |r,t:31|
C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(N)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)NN)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)Oc3ccccc3)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccc(O)cc3)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3cccc(O)c3)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccccc3)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccccc3O)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccccn3)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3cccnc3)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccncc3)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccoc3)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccsc3)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(cc2)-n2cn[nH]c2=O)O1)c1ccc(Cl)cc1Cl |r|
C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)O1)c1ccc(Cl)cc1Cl |r|
C[C@@]12CN(CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O)C(=O)Nc1ccccc1-c1ccccc1 |r|
C[C@@]12CN(CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O)C(=O)Nc1ccnn1-c1ccccc1 |r|
C[C@H]1CCCC[C@H]1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ccc(C)cn1 |r|
C[C@H]1CN(C(=O)N1Cc1ccccc1)c1ccc(Cl)cc1 |r|
C[C@H]1CN(CC(=O)N2CCN(CC2)c2cc(ccn2)-c2ncc(C)cc2C)C[C@@H](C)O1 |r|
C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccc(C)cc2)c2ccccc12 |r|
C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccc(Cl)cc2)c2ccccc12 |r|
C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccc(F)cc2)c2ccccc12 |r|
C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccc(cc2)C(F)(F)F)c2ccccc12 |r|
C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccccc2)c2ccccc12 |r|
C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccccn2)c2ccccc12 |r|
C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2cccnc2)c2ccccc12 |r|
C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccncc2)c2ccccc12 |r|
C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ncco2)c2ccccc12 |r|
C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(N2CC=CC=N2)c2ccccc12 |r,c:23,25|
C[C@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccccc12 |r|
C[C@H]1CN(CCN1c1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@H]1CN(CCN1c1nnc(-c2ccccc2)c2ccccc12)C(=O)c1ccccc1 |r|
C[C@H]1CN(CCN1c1nnc(Cc2ccccc2)c2ccccc12)c1ccc(cn1)C#N |r|
C[C@H]1CN(C[C@@H](C)N1)c1ccc(cn1)C(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)c2cccc(c2C)-c2ccc(OC(F)(F)F)cc2)cn1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)cccc2n1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)ccnc2c1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)nccc2c1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)nccc2n1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1cnc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)cccc2n1 |r|
C[C@H]1C[C@@H](CCN1C(=O)Nc1ccccc1Cl)c1nc(no1)-c1ccc2ccccc2n1 |r|
C[C@H]1C\C=C/C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)OC[C@H](NC1=O)c1ccccc1 |r,c:3|
C[C@H]1C\C=C\C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)OC[C@H](NC1=O)c1ccccc1 |r,t:3|
C[C@H]1NC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C\C=C\CCC(=O)O[C@@H]1c1ccccc1 |r,t:20|
C[C@H]1[C@H](OC(=O)CCCCC[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N1C)c1ccccc1 |r|
C[C@H]1[C@H](OC(=O)CC\C=C\C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N1C)c1ccccc1 |r,t:8|
C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(N)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)NN)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)Oc3ccccc3)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccc(O)cc3)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3cccc(O)c3)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccccc3)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccccc3O)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccccn3)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3cccnc3)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccncc3)cc2)O1)c1ccc(Cl)cc1Cl |r|
C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(cc2)-n2cn[nH]c2=O)O1)c1ccc(Cl)cc1Cl |r|
C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)O1)c1ccc(Cl)cc1Cl |r|
C[C@]12CN(CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O)C(=O)Nc1ccccc1-c1ccccc1 |r|
Cc1[nH]cnc1-c1ccc(C)c(NC(=O)c2ccc(OCc3ccccn3)cc2)c1
Cc1c(C)c(nnc1N1CCC(CC1)NC(=O)Nc1ccc(Nc2nc(NC3CCOCC3)ncc2Cl)cc1)-c1ccnn1C
Cc1c(C)c(nnc1N1CCC(CC1)NC(=O)Nc1ccc(Oc2nc(NC3CCOCC3)ncc2C(F)(F)F)cc1)-c1ccnn1C
Cc1c(C)c(nnc1N1CCC(CC1)NC(=O)Nc1ccc(Oc2nc(NC3CCOCC3)ncc2Cl)cc1)-c1cnn(C)c1
Cc1c(C)c(nnc1N1CCC(CC1)NC(=O)Nc1ccc(Oc2nc(Nc3cnn(C)c3)ncc2Cl)cc1)-c1ccnn1C
Cc1c(C)c(nnc1N1CCC(CC1)NC(=O)Nc1ccc(Sc2nc(NC3CCOCC3)ncc2C(F)(F)F)cc1)-c1ccnn1C
Cc1c(C)c(nnc1N1CCC(CC1)NC(=O)Nc1ccc(Sc2nc(NC3CCOCC3)ncc2Cl)cc1)-c1ccnn1C
Cc1c(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)cnn1-c1ccccc1
Cc1c(CN2CCN(CC2)c2ccccc2)cnn1-c1ccccc1
Cc1c(Cl)cccc1NC(=O)N1CCn2c(C1)c(O)n([C@H]1C[C@@H]1c1ccccc1)c2=O |r|
Cc1c(sc2ncn(CC(=O)Nc3cccc(c3)C(F)(F)F)c(=O)c12)C(=O)NC1CCCCC1
Cc1c[nH]c(n1)-c1ccc(C)c(NC(=O)c2ccc(OCc3ccccn3)cc2)c1
Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ccc(N)cn1
Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ccc(N)nn1
Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1cccc(N)n1
Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ccccn1
Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1cccnc1
Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1cn(C)cn1
Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1nc2ccccc2[nH]1
Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncc[nH]1
Cc1cc(Cl)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1cn(C)cn1
Cc1cc(Cl)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncc[nH]1
Cc1cc(Cl)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1nccn1C
Cc1cc(Cl)cnc1-c1cc(ncc1Cl)N1CCC(CC1)NS(C)(=O)=O
Cc1cc(F)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncc[nH]1
Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCC(CC1)NC(=O)CC(C)(C)O
Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCC(CC1)NC(=O)CCS(C)(=O)=O
Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCC(CC1)NS(=O)(=O)CC(C)(C)O
Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCC(CC1)NS(=O)(=O)CCO
Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCC(CC1)NS(C)(=O)=O
Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CC(C)(C)O
Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CCS(C)(=O)=O
Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCN(CC1)S(=O)(=O)CC(C)(C)O
Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCN(CC1)S(=O)(=O)CCO
Cc1cc(F)cnc1-c1nc(ccc1Cl)N1CCC(CC1)NS(C)(=O)=O
Cc1cc(cc(Cl)c1NC(=O)N1CCn2c(C1)c(O)n([C@H]1C[C@@H]1c1ccccc1)c2=O)C#N |r|
Cc1cc(ccn1)-c1ncc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc32)cc1C#N
Cc1cc(ccn1)-c1ncc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc32)cc1F
Cc1cc(cnc1-c1cc(ncc1Cl)N1CCC(CC1)NS(C)(=O)=O)C#N
Cc1ccc(-c2ccc(cc2)C(F)(F)F)c(c1)C(=O)Nc1ccc2CC(Cc2c1)NCc1ccccn1
Cc1ccc(-c2ncc[nH]2)c(C)c1NC(=O)c1ccc(OCc2ccccn2)cc1
Cc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(cc4)C(F)(F)F)cc3C2)o1 |r|
Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)cc1Cl
Cc1ccc(NC(=O)c2cc(F)cc(c2)N2CCCC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
Cc1ccc(NC(=O)c2ccc(cc2)N2CCOCC2)cc1-c1nc(c[nH]1)-c1ccccc1
Cc1ccc(NC(=O)c2cccc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
Cc1ccc(NC(=O)c2cccc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2cscn2)cc1
Cc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)N2CCC(O)C2)cc1
Cc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)N2CCCC2)cc1
Cc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NC2CC2)cc1
Cc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NC2CCCC2)cc1
Cc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NC2CCCCC2)cc1
Cc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NCC(C)(C)O)cc1
Cc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NCC2CC2)cc1
Cc1ccc(NCc2ccnn2-c2nnc(s2)N2CCC(CC2)C(=O)Nc2ccccc2C)nc1
Cc1ccc(NCc2ccnn2-c2nnc(s2)N2CCC(CC2)C(=O)Nc2cccnc2C)nc1
Cc1ccc(NCc2ccnn2-c2nnc(s2)N2CCC(CC2)C(=O)Nc2ccncc2C)nc1
Cc1ccc(NCc2ccnn2-c2nnc(s2)N2CCC(CC2)C(=O)Nc2cnccc2C)nc1
Cc1ccc(NCc2ccnn2-c2nnc(s2)N2CCC(CC2)C(=O)Nc2ncccc2C)nc1
Cc1ccc(cc1)-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12
Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1c[nH]cn1
Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1cc([nH]n1)C(F)(F)F
Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ccc(N)nn1
Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ccccn1
Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1cccnc1
Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ccncc1
Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1cn(C)cn1
Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1nc2ccccc2[nH]1
Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncc(CN2CCOCC2)s1
Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncc([nH]1)C(F)(F)F
Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncc[nH]1
Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1nccn1C
Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1nccs1
Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncnc2nc[nH]c12
Cc1ccc(nc1)-c1cc(ncc1Cl)N1CCC(CC1)NS(C)(=O)=O
Cc1ccc(nc1)-c1cccc(n1)N1CCC(CC1)NS(C)(=O)=O
Cc1ccc(nc1)-c1nc(ccc1Br)N1CCC(CC1)NS(C)(=O)=O
Cc1ccc(nc1)-c1nc(ccc1Cl)N1CCC(CC1)NS(C)(=O)=O
Cc1ccc(nc1)-c1nc(ccc1Cl)N1CCN(CC1)C(=O)CCS(C)(=O)=O
Cc1ccc(nc1)-c1nc(ncc1Cl)N1CCC(CC1)NS(C)(=O)=O
Cc1cccc(C(=O)Nc2ccc3CC(Cc3c2)NCc2ccccn2)c1-c1ccc(cc1)C(F)(F)F
Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NC(c2ccccc2)C(F)(F)F)c1-c1ccc(cc1)C(F)(F)F |r|
Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NCC2CCOC2)c1-c1ccc(cc1)C(F)(F)F |r|
Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NCc2ccccc2)c1-c1ccc(cc1)C(F)(F)F |r|
Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NCc2ccccn2)c1-c1ccc(cc1)C(F)(F)F |r|
Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NCc2ccco2)c1-c1ccc(cc1)C(F)(F)F |r|
Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NCc2cccs2)c1-c1ccc(cc1)C(F)(F)F |r|
Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NCc2ccncc2)c1-c1ccc(cc1)C(F)(F)F |r|
Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NCc2cnc3ccccc3c2)c1-c1ccc(cc1)C(F)(F)F |r|
Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NCc2nccs2)c1-c1ccc(cc1)C(F)(F)F |r|
Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)Nc2ccccc2)c1-c1ccc(cc1)C(F)(F)F |r|
Cc1cccc(C(=O)Nc2ccc3C[C@H](Cc3c2)NCc2ccccn2)c1-c1ccc(cc1)C(F)(F)F |r|
Cc1cccc(C(=O)Nc2ccc3C[C@H](Cc3c2)NCc2nccs2)c1-c1ccc(cc1)C(F)(F)F |r|
Cc1cccc(CNC(=O)Cc2cccc(c2)N(Cc2ccccc2)C(=O)c2ccc(cc2)C#N)c1
Cc1cccc(Cl)c1NC(=O)N1CCn2c(C1)c(O)n([C@H]1C[C@@H]1c1ccccc1)c2=O |r|
Cc1cccc(NC(=O)c2cc(NC(=O)c3ccc(cc3Cl)S(C)(=O)=O)ccc2Cl)c1C
Cc1ccccc1-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12
Cc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N1CC(C1)S(=O)(=O)CC1CC1
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N1CCC(CC1)Nc1ccccn1
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N1CCCC(O)C1CO
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N1CCCC[C@H]1CO |r|
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccc(O)nn1
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NC1(CC1)c1ccccn1
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NC1(CO)CCCC1
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NC1CCCCC1O
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NC1CCOC1
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NC1CCOCC1
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NC1CCS(=O)(=O)CC1
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NCC1(O)CCC1
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NCC1CCCCO1
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NCC1CN(CC2CC2)C(=O)CO1
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NCCC1C(=O)Nc2ccccc12
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NCCS(C)(=O)=O
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NCCc1c[nH]cn1
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NCCc1nc2cccnc2n1C
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NC[C@H]1CCCO1 |r|
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NCc1ncc[nH]1
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N[C@@H]1CCCC[C@H]1O |r|
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N[C@@H]1CCN(C1)S(C)(=O)=O |r|
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N[C@@H]1CC[C@@H](O)C1 |r|
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N[C@@H]1CC[C@H](O)CC1 |r,wU:23.25,26.29,(,9.24,;1.33,8.47,;2.67,9.24,;4,8.47,;4,6.93,;2.67,6.16,;1.33,6.93,;,6.16,;,4.62,;-1.33,3.85,;-2.67,4.62,;-2.67,6.16,;-1.33,6.93,;-1.33,8.47,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-1.33,-.77,;;,1.54,;-1.33,-2.31,;,-3.08,;-2.67,-3.08,;-2.67,-4.62,;-4,-5.39,;-4,-6.93,;-2.67,-7.7,;-2.67,-9.24,;-1.33,-6.93,;-1.33,-5.39,)|
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O |r|
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCN(C1)S(C)(=O)=O |r|
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N[C@H]1CC[C@H](CO)CC1 |r,wU:23.25,wD:26.29,(,9.63,;1.33,8.85,;2.67,9.63,;4,8.85,;4,7.31,;2.67,6.54,;1.33,7.31,;,6.54,;,5,;-1.33,4.23,;-2.67,5,;-2.67,6.54,;-1.33,7.31,;-1.33,8.85,;-1.33,2.69,;-2.67,1.93,;-2.67,.38,;-1.33,-.38,;,.38,;,1.93,;-1.33,-1.93,;,-2.69,;-2.67,-2.69,;-2.67,-4.23,;-1.33,-5,;-1.33,-6.54,;-2.67,-7.31,;-2.67,-8.85,;-1.33,-9.63,;-4,-6.54,;-4,-5,)|
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N[C@H]1[C@@H](O)Cc2ccccc12 |r|
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)Nc1cccc(CO)n1
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)Nc1cnn(C)n1
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)NC(=O)CC(C)(C)O
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)NC(=O)CCS(C)(=O)=O
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)NCCS(C)(=O)=O
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)NS(C)(=O)=O
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)OCC(=O)NC(C)(C)C
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CNCCS(C)(=O)=O)CC1
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CNS(C)(=O)=O)CC1
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(COCCCO)CC1
Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CS(C)(=O)=O)CC1
Cc1cccnc1-c1cc(ncc1Cl)N1CCC2(CNC(=O)O2)CC1
Cc1cccnc1-c1cc(ncc1Cl)N1CCN(CC1)C(=O)C(C)(C)C
Cc1cccnc1-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CC(C)(C)O
Cc1cccnc1-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CCS(C)(=O)=O
Cc1cccnc1-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CO
Cc1cccnc1-c1cc(ncc1Cl)N1CCN(CC1)S(C)(=O)=O
Cc1cccnc1-c1cc(ncc1Cl)N1CCN(CC1)c1ccc(cn1)C#N
Cc1cccnc1-c1cc(ncc1Cl)N1CCN(CC1)c1ncc(Br)cn1
Cc1cccnc1-c1cc(ncc1Cl)N1[C@@H]2CC[C@H]1[C@H](C2)NS(C)(=O)=O |r,TLB:9:14:17.16:20.19,THB:21:19:14:17.16|
Cc1cccnc1-c1cc(ncc1Cl)N1[C@H]2CC[C@@H]1CN(C2)C(=O)CC(C)(C)O |r,THB:9:14:19.20.21:16.17|
Cc1cccnc1-c1ccnc(n1)N1CCC(CC1)NS(C)(=O)=O
Cc1cccnc1-c1nc(ccc1Cl)N1CCC(CC1)NS(C)(=O)=O
Cc1cccnc1-c1nc(ncc1Cl)N1CCC(CC1)NS(C)(=O)=O
Cc1cccnc1-c1nc(ncc1Cl)N1CCC(CS(C)(=O)=O)CC1
Cc1cccnc1-c1nc(ncc1Cl)N1CCC(O)CC1
Cc1cccnc1-c1nc(ncc1Cl)N1CCN(CC1)S(C)(=O)=O
Cc1cnc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)n1C
Cc1cnc(NC2CCOCC2)nc1Oc1ccc(NC(=O)NC2CCN(CC2)c2nnc(-c3ccnn3C)c(C)c2C)cc1
Cc1cnc(c(C)c1)-c1c(Cl)cnc(N2CCC(CC2)NC(=O)CCS(C)(=O)=O)c1F |(-10,-2.03,;-8.67,-1.26,;-7.33,-2.03,;-6,-1.26,;-6,.28,;-7.33,1.05,;-7.33,2.59,;-8.67,.28,;-4.67,1.05,;-4.67,2.59,;-6,3.36,;-3.33,3.36,;-2,2.59,;-2,1.05,;-.67,.28,;-.67,-1.26,;.67,-2.03,;2,-1.26,;2,.28,;.67,1.05,;3.33,-2.03,;4.67,-1.26,;4.67,.28,;6,-2.03,;7.33,-1.26,;8.67,-2.03,;10,-1.26,;7.9,-3.36,;9.44,-3.36,;-3.33,.28,;-3.33,-1.26,)|
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CC1)NC(=O)CCS(C)(=O)=O
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CC1)NC(=O)CO
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CC1)NS(=O)(=O)C1CC1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CC1)NS(C)(=O)=O
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CC1)S(C)(=O)=O
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CS(C)(=O)=O)CC1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CS(N)(=O)=O)CC1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(O)CC1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CC(C)(C)O
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CCO
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CCS(C)(=O)=O
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CO
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)S(=O)(=O)CCO
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)S(C)(=O)=O
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CCS(C)(=O)=O)CC1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCn2cc(CN3CCOCC3)nc2C1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCn2cc(CO)nc2C1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCn2cc(NC(=O)C(F)(F)F)nc2C1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCn2cc(nc2C1)C(=O)N1CC(O)C1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCn2cc(nc2C1)C(=O)N1CCC(O)C1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCn2cc(nc2C1)C(=O)N1CCC(O)CC1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCn2cc(nc2C1)C(=O)N1CCCC1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCn2cc(nc2C1)C(=O)N1CCOCC1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCn2cc(nc2C1)C(=O)NCC1CC1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCn2cc(nc2C1)C(=O)Nc1ccc(F)c(F)c1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCn2cc(nc2C1)C(=O)Nc1ccc(F)cc1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCn2cc(nc2C1)C(=O)Nc1cccc(F)c1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCn2cc(nc2C1)C(=O)Nc1ccccc1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCn2cc(nc2C1)C(=O)Nc1ccccc1F
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCn2cc(nc2C1)C(=O)Nc1ccccn1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCn2cc(nc2C1)C(=O)Nc1cccnc1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCn2cc(nc2C1)C(=O)OC1CCCC1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCn2cc(nc2C1)C(=O)OCC1CC1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCn2cc(nc2C1)C(=O)Oc1ccccc1
Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCn2cc(nc2C1)C(O)=O
Cc1cnc(c(C)c1)-c1cc(ncc1F)N1CCN(CC1)C(=O)CCS(C)(=O)=O
Cc1cnc(c(C)c1)-c1ccnc(c1)N1CCC(CC1)NS(C)(=O)=O
Cc1cnc(c(C)c1)-c1ccnc(c1)N1CCN(CC1)C(=O)CCS(C)(=O)=O
Cc1cnc(c(C)c1)-c1ccnc(c1)N1CCN(CC1)C(=O)CN1CCOCC1
Cc1cnc(c(C)c1)-c1nc(ccc1Cl)N1CCC(CC1)NC(=O)CO
Cc1csc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(cc4)C(F)(F)F)cc3C2)n1 |r|
Cc1csc(n1)-c1cc(NC(=O)c2ccc(OCc3ccccn3)cc2)c(C)cc1C
Cc1n[nH]cc1-c1cc(NC(=O)c2ccc(OCc3ccccn3)cc2)c(C)cc1C
Cc1nc(c[nH]1)-c1ccc(C)c(NC(=O)c2ccc(OCc3ccccn3)cc2)c1
Cc1nc(cn1C)-c1cc(NC(=O)c2ccc(OCc3ccccn3)cc2)c(C)cc1Cl
Cc1nc(cn1C)-c1ccc(C)c(NC(=O)c2ccc(OCc3ccccn3)cc2)c1
Cc1ncc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)n1C
Cc1ncc([nH]1)-c1cc(NC(=O)c2ccc(OCc3ccccn3)cc2)c(C)cc1C
Cc1ncsc1CN[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1 |r|
Cc1nn(C)c(C)c1-c1cc(NC(=O)c2ccc(OCc3ccccn3)cc2)c(C)cc1C |(5.51,-12.35,;5.9,-10.86,;4.88,-9.72,;5.64,-8.39,;4.87,-7.06,;7.15,-8.7,;8.24,-7.61,;7.31,-10.24,;8.64,-11.01,;9.98,-10.24,;11.3,-11.01,;12.63,-10.24,;13.97,-11.01,;13.97,-12.55,;15.3,-10.24,;15.31,-8.7,;16.63,-7.93,;17.96,-8.7,;19.3,-7.93,;20.63,-8.7,;21.97,-7.93,;21.97,-6.39,;23.3,-5.63,;24.63,-6.39,;24.64,-7.92,;23.31,-8.7,;17.97,-10.23,;16.64,-11.01,;11.3,-12.55,;12.63,-13.31,;9.98,-13.31,;8.64,-12.55,;7.31,-13.32,)|
Cc1nn(C)c(C)c1-c1ccc(C)c(NC(=O)c2ccc(OCc3ccccn3)cc2)c1
Cc1nn(c(C)c1C=NN1CCN(Cc2ccccc2)CC1)-c1ccccc1 |w:7.7|
Cc1nn(c(Cl)c1CN1CCN(CC1)c1ccc(F)cc1)-c1ccccc1
Cc1nn(cc1CN1CCN(CC1)c1ccc(F)cc1)-c1ccccc1
Cc1noc(C)c1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
Cc1oc(nc1-c1ccccc1)-c1ccc(NC(=O)c2ccccc2Cl)cc1
Cc1oc(nc1CN1CCC(CC1)C(=O)NC1CCCc2ccccc12)-c1cccc(Cl)c1
Cl.COc1cc(cc(OC)c1OC)C(=O)NC(=N)Nc1cccc(NC(=O)c2ccc(cc2)-c2ccccc2)c1
Clc1cc(ccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1)C#N
Clc1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2nnc3c(Cl)cccn23)c(Cl)n1
Clc1ccc(CNC(=O)CN2C\C=C\CCC(=O)N[C@@H](COC2=O)c2ccccc2)cc1 |r,t:12|
Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@@H](COC2=O)C2CCCCC2)cc1 |r,t:12|
Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@@H](COC2=O)c2ccc(Cl)cc2)cc1 |r,t:12|
Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@@H](COC2=O)c2ccc(Cl)cn2)cc1 |r,t:12|
Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@@H](COC2=O)c2ccccc2)cc1 |r,t:12|
Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@H](COC2=O)c2ccccc2)cc1 |r,t:12|
Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@H](Cc3ccccc3)COC2=O)cc1 |r,t:12|
Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@H]3[C@H](Cc4ccccc34)OC2=O)cc1 |r,t:12|
Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)OCCNC2=O)cc1 |r,t:12|
Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)OC[C@@H]3CCCN3C2=O)cc1 |r,t:12|
Clc1ccc(CNC(=O)C[C@@H]2C\C=C\C[C@H](Cc3ccccc3)C(=O)N[C@@H](COC2=O)c2ccccc2)cc1 |r,t:12|
Clc1ccc(CNC(=O)C[C@H](CC=C)C(=O)NC[C@H](OC(=O)CCC=C)c2ccccc2)cc1 |r|
Clc1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1
Clc1ccc(NC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)cc1
Clc1ccc(NC(=O)c2ccc(cc2Cl)S(=O)(=O)CCOCCOCCOCCOCCOCCN=[N+]=[N-])cc1-c1ccccn1
Clc1ccc(Nc2nccc3cc(ccc23)N2CCCCC2)cc1-c1nc(c[nH]1)-c1ccccc1
Clc1ccc(Nc2nccc3cc(ccc23)N2CCOCC2)cc1-c1nc(c[nH]1)-c1ccccc1
Clc1ccc(Nc2nccc3cc(ccc23)N2CCS(=O)(=O)CC2)cc1-c1nc(c[nH]1)-c1ccccc1
Clc1ccc(Nc2nccc3ccccc23)cc1-c1nc(c[nH]1)-c1ccccc1
Clc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc2CC(Cc2c1)NCc1ccccn1
Clc1ccc(cc1)-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12
Clc1ccc(cc1Cl)-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12
Clc1ccc(cc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1)C#N
Clc1ccc(nc1-c1ccccn1)N1CCC(CC1)NS(=O)(=O)C1CC1
Clc1cccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)O[C@@H](CNC2=O)c2ccccc2)c1 |r,t:13|
Clc1cccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)c1
Clc1cccc(c1)C(=O)Nc1cc(cnc1Cl)-c1ccc2nc(NC3CC3)sc2c1
Clc1cccc(c1)C(=O)Nc1cc(cnc1Cl)-c1ccc2nc(NCC3CC3)sc2c1
Clc1cccc(c1)C(=O)Nc1ccc(Cl)c(c1)-c1nnc2c(Cl)cccn12
Clc1ccccc1-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12
Clc1ccccc1C(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
Clc1ccccc1C(=O)Nc1ccc(CC(=O)c2ccccc2)cc1
Clc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
Clc1ccccc1C(=O)Nc1ccc(\C=C\c2ccccc2)cc1
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccccc1
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1cc(ncn1)-c1ccccc1
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1cccc(c1)-c1ccccc1
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1cccc(n1)-c1ccccc1
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1ccnc(c1)-c1ccccc1
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1ccnc(n1)-c1ccccc1
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1cncc(c1)-c1ccccc1
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1coc(n1)-c1ccccc1
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1csc(n1)-c1ccccc1
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nc(co1)-c1ccccc1
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nc(cs1)-c1ccccc1
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1ncc(o1)-c1ccccc1
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nccc(n1)-c1ccccc1
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
Clc1ccccc1CN1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
Clc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
Clc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccncc2n1
Clc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2cnccc2n1
Clc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ncccc2n1
Clc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccccc1
Clc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccccn1
Clc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1cccnc1
Clc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1cnc2ccccc2c1
Clc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1cnc2ccccc2n1
Clc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1cnccn1
Clc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ncc2ccccc2n1
Clc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1nccc2ccccc12
Clc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ncccn1
Clc1ccccc1NC(=O)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1
Clc1cccnc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
Clc1ccncc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
Clc1ncc(cc1NC(=O)c1ccccc1)-c1ccc2nc(NC3CC3)sc2c1
Clc1ncc(cc1NC(=O)c1ccccc1)-c1ccc2nc(NCC3CC3)sc2c1
Clc1ncccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
Cn1c(nc2ccccc12)-c1noc(n1)C1CCN(CC1)C(=O)NC1CCCCC1
Cn1c(nc2ccccc12)-c1noc(n1)C1CCN(CC1)C(=O)NC1CCS(=O)(=O)CC1
Cn1c(nc2ccccc12)-c1noc(n1)C1CCN(CC1)C(=O)NCC1(CCCC1)N1CCCCC1
Cn1c(nc2ccccc12)-c1noc(n1)C1CCN(CC1)C(=O)NCC1(CCCC1)N1CCOCC1
Cn1c(nc2ccccc12)-c1noc(n1)C1CCN(CC1)C(=O)Nc1ccccc1Cl
Cn1c(nc2ccccc12)-c1noc(n1)N1CCN(CC1)C(=O)NC1CCC(F)(F)CC1
Cn1c(nc2ccccc12)-c1noc(n1)N1CCN(CC1)C(=O)NC1CCCCC1
Cn1c(nc2ccccc12)-c1noc(n1)N1CCN(CC1)C(=O)NCC1(CCCC1)N1CCCCC1
Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)NC(=O)Nc1ccc(Oc2nc(NC3CCOCC3)ncc2Cl)cc1
Cn1cc(cn1)-c1ncccc1NC(=O)N1CCn2c(C1)c(O)n([C@H]1C[C@@H]1c1ccccc1)c2=O |r|
Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
Cn1nccc1Nc1ccccc1C(=O)N1CCN(CC1)C(=O)c1ccc(F)cc1C(F)(F)F
FC(F)(F)CCCNC(=O)C[C@@H]1C\C=C\CCC(=O)O[C@@H](CNC1=O)c1ccccc1 |r,t:13|
FC(F)(F)Oc1ccc(cc1)-c1ccnc(Nc2ccc3[nH]ncc3c2)n1
FC(F)(F)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2nnc3c(Cl)cccn23)c(Cl)n1
FC(F)(F)c1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1
FC(F)(F)c1ccc(cc1)-c1ccccc1C(=O)Nc1ccc2CC(Cc2c1)NCc1ccccn1
FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2[nH]cnc12
FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccoc12
FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2occc12
FC(F)(F)c1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
FC(F)(F)c1oc(nc1-c1ccccc1)-c1ccc(NC(=O)c2ccccc2Cl)cc1
FC1(CCN(CC1)C(=O)Nc1ccccc1Cl)c1nc(no1)-c1ccc2ccccc2n1
FC1(F)CCC(CC1)NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
FC1(F)CCC(CC1)NC(=O)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1
FC1(F)CCN(CC1)C1(CNC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)CCCC1
FC1CCN(CC1)C1(CNC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)CCCC1
Fc1cc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1nnc2c(Cl)cccn12)C(F)(F)F
Fc1ccc(C(=O)N2CCN(CC2)C(=O)c2ccccc2Nc2ccccc2)c(c1)C(F)(F)F
Fc1ccc(CN2CCCN(C2=O)c2cccc(NC(=O)OCc3ccccc3)c2)cc1F
Fc1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1
Fc1ccc(cc1)-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12
Fc1ccc(cc1)-n1ncc2cc(CNC(=O)C3CCCCC3)ccc12
Fc1ccc(cc1)-n1ncc2cc(CNC(=O)Cc3ccccc3)ccc12
Fc1ccc(cc1)-n1ncc2cc(CNC(=O)c3ccccc3)ccc12
Fc1ccc(cc1)N1C(=O)CC(NC2CCN(CC2)c2ccc(cn2)C(F)(F)F)C1=O
Fc1ccc(cc1)[C@@H]1COC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C\C=C\CCC(=O)N1 |r,t:28|
N#Cc1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1
N#Cc1ccc(cc1)C1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
N#Cc1ccc(nc1)N1CCC(CC1)c1cn(Cc2ccccc2)c2ccccc12
N#Cc1ccc(nc1)N1CCCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
N#Cc1ccc(nc1)N1CCN(CC1)c1cnc(Cc2ccccc2)c2ccccc12
N#Cc1ccc(nc1)N1CCN(CC1)c1ncc(Cc2ccccc2)c2ccccc12
N#Cc1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
NC(=O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
NC1(CNC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)CCCC1
NS(=O)(=O)CC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
NS(=O)(=O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
O=C(CC1CCCCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(CSc1nnc(CNC(=O)c2cccs2)n1-c1ccccc1)Nc1nc2ccccc2s1
O=C(N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1)N1CCCc2ccccc12
O=C(N1CCN(CC1)c1nnc(-c2cccc(c2)C#N)c2ccccc12)c1ccccc1
O=C(N1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12)c1ccccc1
O=C(N1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12)c1ccco1
O=C(N1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12)c1cccs1
O=C(N1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12)c1nccs1
O=C(NC1CCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NC1CCCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NC1CCCCC1)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NC1CCN(Cc2ccc(nc2)N2CCC(CC2)NC(=O)c2cccc(c2)-c2cccnc2)CC1)c1cccc(c1)-c1cccnc1
O=C(NC1CCNCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NC1CCOCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NC1CCS(=O)(=O)CC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NC1CCS(=O)CC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NCC(N1CCCCC1)c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NCC(N1CCOCC1)c1ccccn1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NCC(N1CCOCC1)c1cccnc1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NCC(N1CCOCC1)c1ccncc1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NCC1(CCCC1)C(=O)N1CCCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NCC1(CCCC1)N1CCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NCC1(CCCC1)N1CCCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NCC1(CCCC1)N1CCCCC1)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NCC1(CCCC1)N1CCOCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NCC1(CCCC1)N1CCOCC1)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NCC1(CCCC1)NC1CCCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NCC1(CCCC1)c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NCC1(CCCCC1)N1CCOCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NCC1(CCCCCC1)N1CCOCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NCC1CCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NCC1NCCc2ccccc12)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NCCN1CCOCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(N[C@@H]1CCC[C@@H](C1)c1nc2ccccc2[nH]1)c1ccc2OCCOc2c1 |r|
O=C(Nc1ccc2CC(Cc2c1)NCc1ccccn1)c1ccccc1-c1ccccc1
O=C(Nc1cccc(c1)-c1nc2ccccc2[nH]1)c1ccc2OCCOc2c1
O=C(Nc1cccc2cccnc12)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(Nc1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(CN([C@H]3C[C@@H]3c3ccccc3)C2=O)C1 |r|
O=C(Nc1ccccc1-c1ccccc1)c1ccc2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)c2c1 |r|
O=C(Nc1ccccc1C#N)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(C1)CC(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O |r|
O=C(Nc1ccnn1-c1ccccc1)N1CCN2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 |r|
O=C(OC1CCCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(OCc1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
OC(=O)c1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1
OC(=O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
OC(Cc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccccc1
OC1(CC1)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
OC1(CCN(CC1)C(=O)Nc1ccccc1Cl)c1nc(no1)-c1ccc2ccccc2n1
OC1CCC(CC1)NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 |(32.08,-6.47,;30.55,-6.51,;29.81,-7.87,;28.28,-7.92,;27.48,-6.61,;28.19,-5.25,;29.73,-5.2,;25.94,-6.66,;25.21,-8.02,;26.03,-9.33,;23.67,-8.07,;22.95,-9.43,;21.41,-9.49,;20.6,-8.17,;21.31,-6.82,;22.85,-6.77,;19.06,-8.23,;18.11,-7.02,;16.66,-7.55,;16.72,-9.09,;18.2,-9.51,;15.32,-6.78,;15.32,-5.24,;13.99,-4.48,;12.64,-5.26,;11.3,-4.51,;9.98,-5.3,;10.01,-6.84,;11.35,-7.59,;12.66,-6.8,;14,-7.56,)|
OCC1(CNC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)CCCC1
OCCC(=O)NC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
OCCS(=O)(=O)NC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
OCc1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
Oc1c2CN(CC3CCCCC3)CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1 |r|
Oc1c2CN(CCn2c(=O)n1-c1cccc(c1)-c1ccccc1)C(=O)Nc1ccccc1-c1ccccc1
Oc1c2CN(CCn2c(=O)n1-c1cccc2ccccc12)C(=O)Nc1ccccc1-c1ccccc1 |(3.06,-.63,;2.57,.84,;1.1,1.31,;-.23,.55,;-1.56,1.31,;-1.56,2.85,;-.23,3.63,;1.1,2.85,;2.56,3.33,;3.03,4.8,;3.47,2.09,;5.02,2.1,;5.77,3.43,;7.31,3.45,;8.09,2.11,;7.33,.77,;8.1,-.55,;7.35,-1.88,;5.81,-1.9,;5.03,-.57,;5.79,.77,;-2.9,.54,;-2.9,-1.01,;-4.23,1.3,;-5.57,.53,;-5.56,-1.01,;-6.89,-1.78,;-8.23,-1.01,;-8.24,.52,;-6.9,1.3,;-6.91,2.84,;-5.57,3.61,;-5.57,5.15,;-6.9,5.92,;-8.24,5.14,;-8.24,3.6,)|
Oc1c2CN(CCn2c(=O)n1C1CC11CCCCC1)C(=O)Nc1ccccc1-c1ccccc1
Oc1c2CN(CCn2c(=O)n1C1Cc2ccccc2C1)C(=O)Nc1ccccc1-c1ccccc1
Oc1c2CN(CCn2c(=O)n1CCc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1
Oc1c2CN(CCn2c(=O)n1Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1
Oc1c2CN(CCn2c(=O)n1[C@@H]1C[C@H]1c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H](C1)c1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 |r,wU:11.12,wD:13.17,(3.22,-18.45,;2.74,-16.98,;1.27,-16.51,;-.07,-17.28,;-1.4,-16.51,;-1.4,-14.97,;-.07,-14.19,;1.26,-14.97,;2.72,-14.49,;3.19,-13.02,;3.64,-15.73,;5.18,-15.72,;6.26,-14.63,;7.35,-15.71,;6.27,-16.81,;8.89,-15.7,;9.67,-17.03,;11.21,-17.02,;11.97,-15.68,;11.18,-14.35,;9.65,-14.36,;-2.73,-17.28,;-2.73,-18.83,;-4.07,-16.52,;-5.4,-17.29,;-5.39,-18.83,;-6.72,-19.6,;-8.06,-18.83,;-8.07,-17.3,;-6.73,-16.52,;-6.74,-14.98,;-5.4,-14.21,;-5.4,-12.67,;-6.74,-11.9,;-8.08,-12.68,;-8.07,-14.22,)|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)C1CCCCC1 |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)NC1CCCCC1 |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)NCc1ccco1 |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1c(Cl)cc(F)cc1Cl |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1c(Cl)cc(OC(F)(F)F)cc1Cl |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1c(Cl)cc(cc1Cl)C#N |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1c(Cl)cc(cc1Cl)C(F)(F)F |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1c(Cl)cccc1Cl |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1Cl |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1ccc(F)cc1Cl |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1ccc(cc1)-c1ccccc1 |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1ccc2OCOc2c1 |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1ccccc1-c1ccsc1 |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1ccccc1-c1cnco1 |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1ccccc1C#N |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1cccnc1-c1ccc(Cl)cc1 |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1cccnc1-c1cccc(Cl)c1 |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1cccnc1-c1cccc(c1)C#N |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1cccnc1-c1cccc(c1)C(F)(F)F |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1cccnc1-c1ccccc1 |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1cccnc1-c1ccccc1Cl |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1cccnc1-c1ccsc1 |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1ccncc1-c1ccccc1 |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1ccnn1-c1cccc(Cl)c1 |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1ccnn1-c1cccc(F)c1 |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1ccnn1-c1ccccc1 |r|
Oc1c2CN(CCn2c(=O)n1[C@H]1C[C@H]1c1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 |r|
Oc1ccccc1CN1CCN(CC1)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cn1
[#6]-[#8]-c1cc(-[#8]-[#6])c2c(c1)occ(-c1ccc(-[#8]-[#6])c(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c1)c2=O
[#6]-[#8]-c1cc(-[#8]-[#6])c2c(c1)occ(-c1ccc(-[#8]-[#6])c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c1)c2=O
[#6]-[#8]-c1cc(-[#8]-[#6])c2c(c1)occ(-c1ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c1)c2=O
[#6]-[#8]-c1cc(-[#8]-[#6])c2c(c1)occ(-c1cccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c1)c2=O
[H][C@@]12CCC(C(C)(O)CCCCCCO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:26|
[H][C@@]12CCC(C(C)(O)CCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCc3cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c4ccc(C(=O)Nc5ccc(Cl)c(c5)-c5ccccn5)c(Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:103|
[H][C@@]12CCC(C(C)(O)CCCCCCOCCOCCOCCOCCOCCOCCOCc3cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c4ccc(C(=O)Nc5ccc(Cl)c(c5)-c5ccccn5)c(Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:97|
[H][C@@]12CCC(C(C)(O)CCCCCCOCCOCCOCCOCCOCc3cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c4ccc(C(=O)Nc5ccc(Cl)c(c5)-c5ccccn5)c(Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:91|
[H][C@@]12CCC(C(C)(O)CCCCCCOCCOCCOCc3cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c4ccc(C(=O)Nc5ccc(Cl)c(c5)-c5ccccn5)c(Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:85|
[H][C@@]12CCC(C(C)(O)CCCCCCOCCOCc3cn(CCOCCOCCOCCO)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:48|
[H][C@@]12CCC(C(C)(O)CCCCCCOCCOCc3cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c4ccc(C(=O)Nc5ccc(Cl)c(c5)-c5ccccn5)c(Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:82|
[H][C@@]12CCC(C(C)(O)CCCCCCOCCOCc3cn(CCOCCOCCOCCOCCS(=O)(=O)c4ccc(C(=O)Nc5ccc(Cl)c(c5)-c5ccccn5)c(Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:79|
[H][C@@]12CCC(C(C)(O)CCCCCCOCCOCc3cn(CCOCCOCCOCCS(=O)(=O)c4ccc(C(=O)Nc5ccc(Cl)c(c5)-c5ccccn5)c(Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:76|
[H][C@@]12CCC(C(C)(O)CCCCCCOCCOCc3cn(CCOCCOCCS(=O)(=O)c4ccc(C(=O)Nc5ccc(Cl)c(c5)-c5ccccn5)c(Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:73|
[H][C@@]12CCC(C(C)(O)CCCCCCOCc3cn(CCOCCOCCOc4cc(ccn4)-c4cccc(CN([C@H]5CC[C@@H](CC5)NC)C(=O)c5sc6ccccc6c5Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |wU:41.41,1.0,68.75,wD:44.48,70.78,76.84,80.90,64.71,t:81,(45.3,-6.47,;43.48,-6.56,;44.61,-7.58,;43.99,-8.99,;42.46,-8.83,;41.43,-9.97,;40.22,-9.71,;40.59,-10.88,;41.89,-11.44,;40.86,-12.57,;41.33,-14.04,;40.3,-15.19,;40.77,-16.65,;39.74,-17.8,;40.2,-19.26,;39.17,-20.4,;39.65,-21.88,;38.73,-23.09,;39.63,-24.34,;39.15,-25.81,;37.65,-26.12,;37.16,-27.58,;35.65,-27.9,;35.17,-29.37,;33.67,-29.68,;33.18,-31.15,;31.67,-31.46,;31.2,-32.93,;29.69,-33.24,;28.66,-32.09,;27.15,-32.41,;26.67,-33.87,;27.69,-35.02,;29.2,-34.7,;26.13,-31.26,;24.62,-31.57,;23.59,-30.41,;24.08,-28.96,;25.59,-28.64,;26.07,-27.18,;25.06,-26.02,;23.55,-26.34,;23.05,-27.79,;21.55,-28.1,;20.53,-26.94,;21.02,-25.48,;22.53,-25.18,;19.01,-27.25,;18.63,-28.42,;25.55,-24.57,;26.76,-24.32,;24.53,-23.41,;23.01,-23.58,;22.39,-22.17,;20.93,-21.68,;20.62,-20.17,;21.77,-19.15,;23.23,-19.64,;23.54,-21.14,;24.87,-21.92,;26,-21.44,;26.61,-29.79,;41.1,-23.87,;41.1,-22.33,;42.14,-7.33,;41.14,-8.06,;40.8,-6.56,;40.8,-5.03,;42.14,-4.25,;42.25,-6.28,;43.48,-5.03,;45.24,-5.31,;44.81,-4.25,;44.81,-2.72,;43.48,-1.94,;43.48,-.4,;42.14,.38,;42.14,1.6,;40.8,-.4,;40.8,-1.94,;42.14,-2.72,;41.08,-3.33,)|
[H][C@@]12CCC([C@@](C)(O)CCCCCCOCCOCCOCc3cn(CCOCCOCCOCCOc4cc(ccn4)-c4cccc(CN([C@H]5CC[C@@H](CC5)NC)C(=O)c5sc6ccccc6c5Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,wU:53.57,1.0,77.84,wD:50.50,5.5,79.87,85.93,89.99,73.80,t:90,(31.6,-19.32,;30.66,-19.75,;31.8,-20.76,;31.18,-22.16,;29.64,-22.01,;28.61,-23.16,;27.4,-22.89,;29.81,-23.41,;29.08,-24.62,;28.05,-25.76,;28.52,-27.24,;27.48,-28.37,;27.95,-29.84,;26.92,-30.98,;27.39,-32.45,;26.35,-33.59,;26.83,-35.05,;25.79,-36.2,;26.26,-37.67,;25.23,-38.81,;25.7,-40.28,;24.66,-41.43,;25.14,-42.89,;24.22,-44.12,;25.12,-45.37,;24.64,-46.83,;23.14,-47.14,;22.65,-48.61,;21.14,-48.92,;20.66,-50.39,;19.16,-50.71,;18.67,-52.17,;17.16,-52.49,;16.68,-53.95,;15.17,-54.27,;14.69,-55.74,;13.18,-56.05,;12.7,-57.51,;13.73,-58.66,;13.25,-60.13,;11.74,-60.44,;10.71,-59.3,;11.19,-57.84,;14.28,-61.28,;13.8,-62.74,;14.84,-63.89,;16.34,-63.56,;16.82,-62.1,;18.33,-61.78,;19.36,-62.92,;18.89,-64.38,;17.39,-64.71,;16.91,-66.18,;17.95,-67.32,;19.45,-67,;19.93,-65.52,;17.47,-68.79,;16.27,-69.05,;20.87,-62.6,;21.25,-61.42,;21.91,-63.74,;21.57,-65.23,;22.9,-65.99,;23.23,-67.51,;24.69,-67.98,;25.84,-66.94,;25.52,-65.44,;24.05,-64.96,;23.42,-63.56,;24.03,-62.49,;15.79,-60.95,;26.59,-44.89,;26.59,-43.34,;29.33,-20.51,;28.33,-21.24,;27.99,-19.75,;27.99,-18.2,;29.33,-17.43,;29.33,-18.46,;30.66,-18.2,;31.55,-18.72,;31.99,-17.43,;31.99,-15.89,;30.66,-15.12,;30.66,-13.58,;29.33,-12.81,;29.33,-11.57,;27.99,-13.58,;27.99,-15.12,;29.33,-15.89,;28.26,-16.5,)|
[H][C@@]12CCC([C@@](C)(O)CCCCCCOCc3cn(CCOCCOCCOCCOc4cc(ccn4)-c4cccc(CN([C@H]5CC[C@@H](CC5)NC)C(=O)c5sc6ccccc6c5Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,wU:47.51,1.0,71.78,wD:44.44,5.5,73.81,79.87,83.93,67.74,t:84,(30.74,-17.8,;29.81,-18.22,;30.95,-19.24,;30.32,-20.65,;28.79,-20.49,;27.76,-21.63,;26.55,-21.37,;28.96,-21.89,;28.23,-23.09,;27.19,-24.23,;27.66,-25.7,;26.63,-26.85,;27.1,-28.31,;26.06,-29.45,;26.54,-30.92,;25.5,-32.06,;25.97,-33.53,;25.06,-34.76,;25.97,-36,;25.49,-37.46,;23.97,-37.78,;23.49,-39.25,;21.99,-39.56,;21.51,-41.03,;19.99,-41.35,;19.51,-42.81,;18,-43.13,;17.52,-44.59,;16.01,-44.91,;15.53,-46.37,;14.02,-46.68,;13.54,-48.15,;14.57,-49.3,;14.09,-50.76,;12.59,-51.08,;11.56,-49.93,;12.03,-48.47,;15.12,-51.91,;14.65,-53.38,;15.67,-54.52,;17.19,-54.2,;17.67,-52.74,;19.17,-52.41,;20.2,-53.56,;19.73,-55.02,;18.22,-55.35,;17.76,-56.82,;18.79,-57.96,;20.3,-57.63,;20.76,-56.16,;18.32,-59.42,;17.11,-59.68,;21.71,-53.23,;22.09,-52.06,;22.74,-54.37,;22.41,-55.87,;23.75,-56.63,;24.06,-58.13,;25.53,-58.61,;26.68,-57.58,;26.36,-56.08,;24.89,-55.6,;24.26,-54.19,;24.87,-53.12,;16.63,-51.59,;27.43,-35.53,;27.43,-33.99,;28.47,-18.98,;27.48,-19.72,;27.14,-18.22,;27.14,-16.67,;28.47,-15.91,;28.47,-16.94,;29.81,-16.67,;30.7,-17.2,;31.14,-15.91,;31.14,-14.36,;29.81,-13.59,;29.81,-12.05,;28.47,-11.28,;28.47,-10.04,;27.14,-12.05,;27.14,-13.59,;28.47,-14.36,;27.4,-14.98,)|
[H][C@@]12CCC([C@H](C)CCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCc3cn(CCOCCOCCOCCOCCOCCOc4cc(ccn4)-c4cccc(CN([C@H]5CC[C@@H](CC5)NC)C(=O)c5sc6ccccc6c5Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,wU:108.116,112.122,102.110,96.103,5.5,73.73,wD:76.80,1.0,100.107,t:113,(63.84,-15.87,;63,-16.48,;62.69,-14.98,;61.16,-14.82,;60.53,-16.23,;59.03,-16.54,;58.21,-15.63,;58.56,-18.01,;57.05,-18.33,;56.58,-19.8,;55.07,-20.12,;54.59,-21.59,;53.09,-21.9,;52.61,-23.37,;51.11,-23.7,;50.63,-25.17,;49.12,-25.49,;48.65,-26.95,;47.14,-27.28,;46.67,-28.74,;45.16,-29.07,;44.69,-30.53,;43.18,-30.86,;42.7,-32.31,;41.2,-32.64,;40.72,-34.11,;39.22,-34.43,;38.74,-35.89,;37.24,-36.21,;36.76,-37.68,;35.25,-38,;34.78,-39.47,;33.27,-39.79,;32.8,-41.25,;31.29,-41.57,;30.82,-43.04,;29.31,-43.36,;28.83,-44.83,;27.33,-45.16,;26.85,-46.62,;25.4,-47.08,;25.4,-48.62,;24.16,-49.53,;24.33,-51.06,;23.09,-51.97,;23.26,-53.51,;22.01,-54.42,;22.18,-55.94,;20.94,-56.85,;21.11,-58.39,;19.87,-59.3,;20.03,-60.83,;18.79,-61.74,;18.95,-63.27,;17.72,-64.19,;17.88,-65.72,;16.64,-66.63,;16.81,-68.16,;15.56,-69.07,;15.73,-70.61,;14.49,-71.52,;14.66,-73.05,;13.41,-73.96,;12,-73.34,;11.84,-71.8,;13.09,-70.9,;13.58,-75.49,;12.34,-76.4,;12.5,-77.93,;13.91,-78.55,;15.15,-77.64,;16.55,-78.28,;16.72,-79.8,;15.47,-80.71,;15.63,-82.24,;14.38,-83.15,;12.97,-82.52,;12.82,-80.98,;14.06,-80.08,;11.73,-83.42,;11.86,-84.65,;18.12,-80.43,;19.12,-79.71,;18.29,-81.97,;17.14,-82.97,;17.76,-84.38,;17.13,-85.78,;18.03,-87.03,;19.57,-86.87,;20.2,-85.47,;19.29,-84.22,;19.62,-82.71,;20.74,-82.21,;14.99,-76.11,;26.87,-49.09,;27.77,-47.84,;61.68,-17.25,;60.55,-17.75,;61.68,-18.78,;63,-19.56,;64.35,-18.78,;64.35,-19.81,;64.35,-17.25,;64.35,-16.22,;65.68,-16.48,;67.01,-17.25,;67.01,-18.78,;68.35,-19.56,;68.35,-21.09,;69.41,-21.72,;67.01,-21.87,;65.68,-21.09,;65.68,-19.56,;64.78,-20.06,)|
[H][C@@]12CCC([C@H](C)CCCCCCOCCOCCOCCOCCOCCOCCOCCOCc3cn(CCOCCOCCOCCOCCOCCOc4cc(ccn4)-c4cccc(CN([C@H]5CC[C@@H](CC5)NC)C(=O)c5sc6ccccc6c5Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,wU:105.113,109.119,99.107,93.100,5.5,73.77,wD:70.70,1.0,97.104,t:110,(70.52,-4.33,;69.69,-4.92,;69.38,-3.43,;67.85,-3.27,;67.22,-4.67,;65.71,-4.99,;64.89,-4.08,;65.24,-6.47,;63.73,-6.78,;63.26,-8.25,;61.75,-8.57,;61.28,-10.04,;59.77,-10.36,;59.3,-11.83,;57.79,-12.15,;57.32,-13.61,;55.81,-13.93,;55.34,-15.4,;53.83,-15.72,;53.36,-17.19,;51.85,-17.51,;51.37,-18.97,;49.87,-19.3,;49.39,-20.77,;47.89,-21.09,;47.41,-22.55,;45.91,-22.87,;45.43,-24.34,;43.93,-24.66,;43.45,-26.12,;41.94,-26.45,;41.47,-27.91,;39.96,-28.23,;39.49,-29.7,;37.98,-30.03,;37.51,-31.49,;36,-31.81,;35.4,-33.21,;33.87,-33.05,;32.84,-34.19,;31.33,-33.87,;30.3,-35.01,;28.79,-34.69,;27.76,-35.83,;26.25,-35.5,;25.22,-36.65,;23.72,-36.32,;22.68,-37.46,;21.17,-37.14,;20.14,-38.28,;18.63,-37.96,;17.6,-39.1,;16.1,-38.78,;15.06,-39.92,;13.55,-39.6,;12.52,-40.74,;11.01,-40.41,;9.98,-41.56,;8.48,-41.24,;7.45,-42.38,;7.92,-43.84,;9.43,-44.16,;10.45,-43.02,;5.94,-42.06,;4.91,-43.2,;3.4,-42.89,;2.93,-41.42,;3.96,-40.27,;3.47,-38.81,;1.97,-38.5,;.94,-39.65,;-.57,-39.33,;-1.6,-40.48,;-1.11,-41.94,;.4,-42.26,;1.42,-41.11,;-2.15,-43.09,;-3.36,-42.83,;1.48,-37.03,;2.31,-36.12,;-.03,-36.71,;-1.14,-37.76,;-2.48,-36.99,;-3.94,-37.47,;-5.1,-36.45,;-4.78,-34.94,;-3.32,-34.46,;-2.17,-35.48,;-.63,-35.32,;-.02,-34.25,;5.46,-40.6,;33.55,-31.55,;34.88,-30.77,;68.36,-5.7,;67.24,-6.19,;68.36,-7.24,;69.69,-8.01,;71.03,-7.24,;71.03,-8.26,;71.03,-5.7,;71.03,-4.67,;72.36,-4.92,;73.69,-5.7,;73.69,-7.24,;75.03,-8.01,;75.03,-9.55,;76.09,-10.16,;73.69,-10.31,;72.36,-9.55,;72.36,-8.01,;71.47,-8.51,)|
[H][C@@]12CCC([C@H](C)CCCCCCOCCOCCOCCOCCOCCOCCOCc3cn(CCOCCOCCOCCOCCOCCOc4cc(ccn4)-c4cccc(CN([C@H]5CC[C@@H](CC5)NC)C(=O)c5sc6ccccc6c5Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,wU:102.110,106.116,96.104,90.97,5.5,67.67,wD:70.74,1.0,94.101,t:107,(56.72,-14.81,;55.88,-15.41,;55.57,-13.91,;54.04,-13.75,;53.41,-15.16,;51.91,-15.49,;51.08,-14.56,;51.43,-16.94,;49.93,-17.27,;49.45,-18.74,;47.94,-19.06,;47.47,-20.53,;45.96,-20.84,;45.49,-22.31,;43.98,-22.63,;43.51,-24.1,;42,-24.43,;41.52,-25.88,;40.02,-26.21,;39.54,-27.68,;38.03,-28,;37.56,-29.47,;36.05,-29.79,;35.58,-31.25,;34.07,-31.57,;33.6,-33.04,;32.09,-33.36,;31.61,-34.82,;30.11,-35.14,;29.63,-36.61,;28.12,-36.93,;27.65,-38.4,;26.14,-38.72,;25.67,-40.18,;24.22,-40.65,;24.22,-42.19,;22.98,-43.1,;23.15,-44.63,;21.9,-45.54,;22.07,-47.07,;20.83,-47.98,;21,-49.52,;19.76,-50.43,;19.92,-51.96,;18.68,-52.87,;18.84,-54.4,;17.61,-55.31,;17.77,-56.85,;16.53,-57.76,;16.7,-59.29,;15.45,-60.2,;15.63,-61.74,;14.38,-62.65,;14.55,-64.18,;13.31,-65.09,;13.47,-66.62,;12.23,-67.53,;10.82,-66.91,;10.65,-65.37,;11.9,-64.47,;12.39,-69.06,;11.15,-69.97,;11.31,-71.5,;12.72,-72.12,;13.97,-71.22,;15.37,-71.85,;15.53,-73.38,;14.29,-74.28,;14.44,-75.81,;13.2,-76.72,;11.79,-76.09,;11.63,-74.55,;12.88,-73.66,;10.54,-77,;10.68,-78.22,;16.95,-74,;17.94,-73.28,;17.1,-75.54,;15.95,-76.54,;16.58,-77.95,;15.95,-79.35,;16.85,-80.6,;18.38,-80.44,;19.01,-79.04,;18.11,-77.8,;18.43,-76.29,;19.55,-75.78,;13.8,-69.69,;25.69,-42.66,;26.58,-41.41,;54.55,-16.18,;53.42,-16.69,;54.55,-17.72,;55.88,-18.48,;57.22,-17.72,;57.22,-18.75,;57.22,-16.18,;57.22,-15.15,;58.55,-15.41,;59.88,-16.18,;59.88,-17.72,;61.22,-18.48,;61.22,-20.03,;62.28,-20.64,;59.88,-20.8,;58.55,-20.03,;58.55,-18.48,;57.66,-19.01,)|
[H][C@@]12CCC([C@H](C)CCCCCCOCCOCCOCCOCCOCCOCCOCc3cn(CCOCCOCCOCCOc4cc(ccn4)-c4cccc(CN([C@H]5CC[C@@H](CC5)NC)C(=O)c5sc6ccccc6c5Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,wU:96.104,100.110,90.98,84.91,5.5,61.61,wD:64.68,1.0,88.95,t:101,(52.75,-13.2,;51.91,-13.8,;51.6,-12.3,;50.07,-12.14,;49.44,-13.55,;47.94,-13.87,;47.11,-12.95,;47.46,-15.34,;45.95,-15.66,;45.47,-17.13,;43.97,-17.44,;43.5,-18.91,;41.99,-19.23,;41.51,-20.7,;40,-21.02,;39.53,-22.49,;38.02,-22.82,;37.55,-24.27,;36.04,-24.61,;35.56,-26.06,;34.05,-26.38,;33.58,-27.85,;32.07,-28.17,;31.6,-29.64,;30.09,-29.96,;29.62,-31.43,;28.11,-31.75,;27.63,-33.22,;26.13,-33.54,;25.65,-35.01,;24.15,-35.33,;23.67,-36.8,;22.16,-37.12,;21.69,-38.59,;20.23,-39.05,;20.23,-40.59,;19,-41.49,;19.16,-43.03,;17.92,-43.94,;18.09,-45.48,;16.84,-46.38,;17.01,-47.91,;15.77,-48.83,;15.94,-50.36,;14.69,-51.28,;14.86,-52.81,;13.62,-53.72,;13.78,-55.25,;12.54,-56.17,;12.71,-57.7,;11.46,-58.61,;10.05,-57.98,;9.89,-56.45,;11.13,-55.54,;11.63,-60.14,;10.38,-61.05,;10.55,-62.58,;11.96,-63.2,;13.2,-62.3,;14.61,-62.92,;14.77,-64.46,;13.52,-65.37,;13.68,-66.9,;12.44,-67.8,;11.03,-67.17,;10.87,-65.63,;12.12,-64.73,;9.78,-68.08,;9.91,-69.3,;16.18,-65.08,;17.18,-64.36,;16.33,-66.62,;15.19,-67.62,;15.81,-69.03,;15.19,-70.44,;16.09,-71.69,;17.62,-71.53,;18.25,-70.12,;17.34,-68.87,;17.67,-67.37,;18.79,-66.87,;13.04,-60.77,;21.7,-41.06,;22.6,-39.81,;50.58,-14.56,;49.46,-15.07,;50.58,-16.11,;51.91,-16.88,;53.25,-16.11,;53.25,-17.14,;53.25,-14.56,;53.25,-13.53,;54.58,-13.8,;55.92,-14.56,;55.92,-16.11,;57.25,-16.88,;57.25,-18.41,;58.32,-19.03,;55.92,-19.19,;54.58,-18.41,;54.58,-16.88,;53.69,-17.39,)|
[H][C@@]12CCC([C@H](C)CCCCCCOCCOCCOCCOCc3cn(CCOCCOCCOCCOc4cc(ccn4)-c4cccc(CN([C@H]5CC[C@@H](CC5)NC)C(=O)c5sc6ccccc6c5Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,wU:87.95,91.101,81.89,75.82,5.5,55.59,wD:52.52,1.0,79.86,t:92,(68.5,-8.44,;67.67,-9.05,;67.36,-7.56,;65.82,-7.4,;65.2,-8.8,;63.69,-9.12,;62.87,-8.21,;63.22,-10.59,;61.71,-10.91,;61.24,-12.37,;59.73,-12.69,;59.26,-14.15,;57.76,-14.48,;57.28,-15.95,;55.77,-16.27,;55.29,-17.74,;53.79,-18.06,;53.32,-19.52,;51.81,-19.84,;51.34,-21.31,;49.83,-21.63,;49.36,-23.1,;47.85,-23.42,;47.38,-24.88,;45.87,-25.21,;45.27,-26.61,;43.73,-26.44,;42.7,-27.58,;41.19,-27.26,;40.16,-28.4,;38.66,-28.08,;37.62,-29.22,;36.12,-28.9,;35.09,-30.04,;33.58,-29.72,;32.54,-30.85,;31.04,-30.53,;30.01,-31.68,;28.5,-31.35,;27.47,-32.49,;25.96,-32.17,;24.93,-33.31,;25.4,-34.78,;26.91,-35.1,;27.94,-33.96,;23.42,-32.99,;22.4,-34.14,;20.89,-33.82,;20.41,-32.35,;21.44,-31.21,;20.96,-29.75,;19.45,-29.44,;18.42,-30.58,;16.92,-30.26,;15.89,-31.42,;16.37,-32.87,;17.88,-33.19,;18.9,-32.04,;15.35,-34.02,;14.14,-33.77,;18.97,-27.97,;19.79,-27.06,;17.46,-27.65,;16.35,-28.69,;15.01,-27.93,;13.55,-28.41,;12.4,-27.39,;12.72,-25.88,;14.18,-25.4,;15.33,-26.42,;16.85,-26.25,;17.47,-25.19,;22.95,-31.53,;43.42,-24.94,;44.74,-24.17,;66.34,-9.82,;65.21,-10.32,;66.34,-11.36,;67.67,-12.12,;69,-11.36,;69,-12.38,;69,-9.82,;69,-8.79,;70.34,-9.05,;71.67,-9.82,;71.67,-11.36,;73,-12.12,;73,-13.66,;74.06,-14.28,;71.67,-14.43,;70.34,-13.66,;70.34,-12.12,;69.45,-12.64,)|
[H][C@@]12CCC([C@H](C)CCCCCCOCCOCc3cn(CCOCCOCCOCCOc4cc(ccn4)-c4cccc(CN([C@H]5CC[C@@H](CC5)NC)C(=O)c5sc6ccccc6c5Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,wU:46.46,5.5,1.0,73.80,wD:49.53,75.83,81.89,85.95,69.76,t:86,(29.65,-18.91,;28.71,-19.33,;29.86,-20.36,;29.22,-21.76,;27.69,-21.6,;26.67,-22.75,;25.46,-22.48,;27.14,-24.22,;26.11,-25.36,;26.58,-26.82,;25.55,-27.96,;26.02,-29.43,;24.99,-30.58,;25.47,-32.04,;24.44,-33.19,;24.91,-34.65,;23.88,-35.8,;24.35,-37.27,;23.32,-38.41,;23.64,-39.9,;22.31,-40.67,;22.15,-42.2,;23.39,-43.11,;23.23,-44.64,;24.48,-45.55,;24.32,-47.08,;25.57,-47.99,;25.4,-49.53,;26.64,-50.43,;26.49,-51.97,;27.73,-52.87,;27.57,-54.41,;28.82,-55.32,;28.65,-56.85,;27.24,-57.46,;27.08,-59,;28.32,-59.91,;29.73,-59.29,;29.89,-57.76,;25.67,-59.62,;25.5,-61.16,;24.09,-61.78,;22.85,-60.87,;23.01,-59.33,;21.78,-58.42,;20.36,-59.04,;20.19,-60.57,;21.43,-61.49,;21.26,-63.01,;19.84,-63.63,;18.61,-62.72,;18.78,-61.18,;19.67,-65.17,;20.67,-65.89,;19.12,-58.12,;19.26,-56.9,;17.71,-58.74,;17.4,-60.24,;15.87,-60.39,;14.95,-61.63,;13.42,-61.46,;12.8,-60.05,;13.72,-58.81,;15.25,-58.98,;16.39,-57.95,;16.28,-56.73,;24.43,-58.71,;21.17,-39.64,;21.8,-38.23,;27.38,-20.11,;26.38,-20.82,;26.05,-19.33,;26.05,-17.8,;27.38,-17.02,;27.38,-18.05,;28.71,-17.8,;29.61,-18.31,;30.05,-17.02,;30.05,-15.49,;28.71,-14.71,;28.71,-13.17,;27.38,-12.4,;27.38,-11.17,;26.05,-13.17,;26.05,-14.71,;27.38,-15.49,;26.31,-16.1,)|
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13C(O[C@]2(C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1)O4 |r|
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](CC(=O)Nc1ccc(Cl)c(c1)-c1ccccn1)[C@@H]2C)O4 |r|
[H][C@]1(CC[C@@H](C)[C@]2([H])C=CC(=O)C[C@]12[H])[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r,c:8|
[H][C@]1(CC[C@@H](C)[C@]2([H])CCC(=O)C=C12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r,t:12|
[H][C@]1(CC[C@@H](C)[C@]2([H])CCC(=O)C[C@]12[H])[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r|
[H][C@]1(CC[C@@H](C)[C@]2([H])CCC(O)C[C@]12[H])[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r|
[H][C@]1(CC[C@@H](C)[C@]2([H])Cc3c(C[C@]12[H])n(C)c1ccccc31)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r|
[H][C@]1(CC[C@@H](C)[C@]2([H])Cc3cnn(c3C[C@]12[H])-c1ccccc1)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r|
[H][C@]1(CC[C@@H](C)[C@]2([H])Cc3sc(C)nc3C[C@]12[H])[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r|
[H][C@]1(CC[C@@H](C)[C@]2([H])Cc3sc(NC(C)=O)nc3C[C@]12[H])[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r|
[H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccc(cn1)N1C[C@H](C)O[C@H](C)C1 |r|
[H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r|
[H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nc(no1)C1CC1 |r|
[H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nc2cc(OC(F)(F)F)ccc2n1C |r|
[H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccc(OC(F)(F)F)cc2n1C |r|
[H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1 |r|
[H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2n1C |r|
[H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2o1 |r|
[H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2s1 |r|
[H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nnc(o1)-c1ccnn1C |r|
[H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nnc(s1)-c1ccnn1C |r|
[H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1noc(C)n1 |r|
[H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1cccc(c1C)-c1ccc(OC(F)(F)F)cc1 |r|
[H][C@]1(CC[C@@H](C)c2ccc(CN3CCOCC3)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r|
[H][C@]12O[C@@]3(C)CC[C@@]4([H])[C@H](C)CC[C@@]([H])([C@@H](C)[C@@H](CC(=O)Nc5ccc(Cl)c(c5)-c5ccccn5)O1)[C@@]24O3 |r|