4665 SMILES Strings for Indoleamine 2,3-dioxygenase 1

Compound Name
SMILES String
COC(=O)[C@H]1C[C@H]1c1ccc(N(CC(C)C)CC(C)C)c(c1)[N+]([O-])=O |r|
COC(=O)C1CC1c1ccc(N(CC(C)C)CC(C)C)c(c1)[N+]([O-])=O
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(cc1)C(F)(F)F)[C@H]1C[C@H]1C(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1C[C@H]1C(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccccc1Cl)[C@H]1C[C@H]1C(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1Cl)[C@H]1C[C@H]1C(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(CC#C)cc1)[C@H]1C[C@H]1C(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cccc(C)c1)[C@@H]1C[C@@H]1C(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(cc1)C1CC1)[C@@H]1C[C@@H]1C(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cc(C)no1)[C@H]1C[C@H]1C(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cc(C)no1)[C@@H]1C[C@@H]1C(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cc(no1)C1CC1)[C@H]1C[C@H]1C(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cc(no1)C(F)(F)F)[C@H]1C[C@H]1C(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cc(no1)C(F)(F)F)[C@@H]1C[C@@H]1C(O)=O |r|
COCCN(Cc1ccc(Cl)cc1)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)[C@H]1C[C@H]1C(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Cc1ccc(C)cc1)[C@H]1C[C@H]1C(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Cc1cc(C)no1)[C@@H]1C[C@@H]1C(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cc(C)on1)C1C[C@@H]1C(O)=O |r|
CCOC(=O)Nc1ccc(NC(=O)Nc2cc(ccc2N(CC(C)C)CC(C)C)[C@@H]2C[C@@H]2C(O)=O)cc1 |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(OCC(F)(F)F)cc1)[C@@H]1C[C@@H]1C(O)=O |r|
Cc1ccc(NC(=O)Nc2cc(ccc2N(CCCC(F)(F)F)C2CCCCC2)[C@H]2C[C@H]2C(O)=O)cc1 |r|
OC(=O)[C@@H]1C[C@@H]1c1ccc(N(CCCC(F)(F)F)C2CCCCC2)c(NC(=O)Nc2cncnc2)c1 |r|
Cc1ccc(NC(=O)Nc2cc(ccc2N(CCCC(F)(F)F)C2CCCCC2)[C@@H]2C[C@@H]2C(O)=O)cc1 |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cnc(C)nc1)[C@@H]1C[C@@H]1C(O)=O |r|
OC(=O)[C@@H]1C[C@@H]1c1ccc(N(CCC(F)(F)F)C2CCCCC2)c(NC(=O)Nc2cncnc2)c1 |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Cc1ccc(F)cc1)[C@H]1C[C@H]1C(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Cc1ccc(C)nc1)[C@H]1C[C@H]1C(O)=O |r|
CC(C)CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1cc(C)no1)[C@H]1C[C@H]1C(O)=O |r|
NS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(Br)c1)=NO |w:23.25|
CS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(Br)c1)=NO |w:23.25|
NS(=O)(=O)NCCCNc1nonc1C(Nc1ccc(F)c(Br)c1)=NO |w:24.26|
CS(=O)(=O)NCCCNc1nonc1C(Nc1ccc(F)c(Br)c1)=NO |w:24.26|
NS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(Cl)c1)=NO |w:23.25|
CS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(Cl)c1)=NO |w:23.25|
NS(=O)(=O)NCCCNc1nonc1C(Nc1ccc(F)c(Cl)c1)=NO |w:24.26|
CS(=O)(=O)NCCCNc1nonc1C(Nc1ccc(F)c(Cl)c1)=NO |w:24.26|
NS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(c1)C(F)(F)F)=NO |w:26.28|
CS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(c1)C(F)(F)F)=NO |w:26.28|
NS(=O)(=O)NCCCNc1nonc1C(Nc1ccc(F)c(c1)C(F)(F)F)=NO |w:27.29|
CS(=O)(=O)NCCCNc1nonc1C(Nc1ccc(F)c(c1)C(F)(F)F)=NO |w:27.29|
NS(=O)(=O)NCCNc1nonc1C(Nc1cccc(c1)C(F)(F)F)=NO |w:25.27|
CS(=O)(=O)NCCNc1nonc1C(Nc1cccc(c1)C(F)(F)F)=NO |w:25.27|
NS(=O)(=O)NCCCNc1nonc1C(Nc1cccc(c1)C(F)(F)F)=NO |w:26.28|
CS(=O)(=O)NCCCNc1nonc1C(Nc1cccc(c1)C(F)(F)F)=NO |w:26.28|
Cc1cc(NC(=NO)c2nonc2NCCNS(C)(=O)=O)ccc1F |w:6.6|
NS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(c1)C#N)=NO |w:24.26|
CS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(c1)C#N)=NO |w:24.26|
NS(=O)(=O)NCCNc1nonc1C(NCc1cc(Br)co1)=NO |w:22.24|
NS(=O)(=O)NCCNc1nonc1C(NCc1cc(Cl)co1)=NO |w:22.24|
CS(=O)(=O)NCCNc1nonc1\C(Nc1cccc(c1)C(F)(F)F)=N\O
CN(CCNc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O)S(N)(=O)=O
Fc1ccc2[nH]cc(C3CC(=O)NC3=O)c2c1
c1cc2c(cc1F)c(c[nH]2)[C@H]3CC(=O)NC3=O
c1cc2c(cc1F)c(c[nH]2)[C@@H]3CC(=O)NC3=O
O=C1CC(C(=O)N1)c1c[nH]c2ccccc12
O=C1C[C@@H](C(=O)N1)c1c[nH]c2ccccc12 |r|
O=C1C[C@H](C(=O)N1)c1c[nH]c2ccccc12 |r|
Clc1ccc2[nH]cc(C3CC(=O)NC3=O)c2c1
Clc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r|
Clc1ccc2[nH]cc([C@@H]3CC(=O)NC3=O)c2c1 |r|
Fc1cc2c(c[nH]c2cc1Cl)C1CC(=O)NC1=O
Fc1cc2c(c[nH]c2cc1Br)C1CC(=O)NC1=O
Fc1cc2c(c[nH]c2cc1Br)[C@H]1CC(=O)NC1=O |r|
Fc1cc2c(c[nH]c2cc1Br)[C@@H]1CC(=O)NC1=O |r|
Brc1ccc2[nH]cc(C3CC(=O)NC3=O)c2c1
Cc1ccc2[nH]cc(C3CC(=O)NC3=O)c2c1
OCc1ccc2[nH]cc(C3CC(=O)NC3=O)c2c1
O=C1CC(C(=O)N1)c1c[nH]c2ccc(cc12)[N+]#[C-]
Fc1cc2[nH]cc(C3CC(=O)NC3=O)c2cc1F
Cc1cc2[nH]cc(C3CC(=O)NC3=O)c2cc1F
Fc1ccc2c(c[nH]c2c1)C1CC(=O)NC1=O
Clc1ccc2c(c[nH]c2c1)C1CC(=O)NC1=O
Brc1ccc2c(c[nH]c2c1)C1CC(=O)NC1=O
Cc1ccc2c(c[nH]c2c1)C1CC(=O)NC1=O
O=C1CC(C(=O)N1)c1c[nH]c2cc(ccc12)[N+]#[C-]
O=C1CC(C(=O)N1)c1cccc2ccccc12
Fc1ccc2c(cccc2c1)C1CC(=O)NC1=O
Fc1ccc2cccc(C3CC(=O)NC3=O)c2c1
OC(CC1c2cncn2-c2ccccc12)C1CCCCC1
O=C(CC1c2cncn2-c2ccccc12)C1CCCCC1
C1c2cn[nH]c2-c2ccccc12
OC(CC1c2ccccc2-c2cnnn12)C1CCCCC1
O=C(CC1c2ccccc2-c2cnnn12)C1CCCCC1
FC1(F)CCC(CC1)C(=O)CC1c2ccccc2-c2cnnn12
Cc1ccc(NC(=O)N2CCC(CC2)C(O)CC2c3ccccc3-c3cnnn23)cc1
OC(CC1c2ccccc2-c2cnnn12)C1CCC(F)(F)CC1
OC(CC1c2ccccc2-c2nncn12)C1CCCCC1
O=C(CC1c2ccccc2-c2nncn12)C1CCCCC1
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)C1(CC(O)=O)COC1
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cc(C)no1)C(C)CC(O)=O
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(F)cc1F)C(CC(O)=O)C(F)(F)F
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cncnc1)[C@H](C)CC(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cncnc1)[C@@H](C)CC(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cnc(C)nc1)[C@@H](C)CC(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cnc(C)nc1)[C@H](C)CC(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)[C@@H](C)CC(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cc(C)on1)[C@@H](C)CC(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Cc1ccc(cc1)C#N)[C@H](C)CC(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cc(no1)C(F)(F)F)C(C)CC(O)=O
CC(C)CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)C(C)CC(O)=O
Cc1ccc(NC(=O)Nc2cc(ccc2Oc2ccccc2C(C)(C)C)-c2ccc(Cl)c(c2)C(O)=O)cc1
Cc1ccc(NC(=O)Nc2cc(ccc2Oc2ccccc2C(C)(C)C)-c2ccccc2C(O)=O)cc1
CCOc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C(C)(C)C)c(NC(=O)Nc2ccc(C)cc2)c1
COc1ccc(cc1NS(=O)(=O)C(F)(F)F)-c1ccc(Oc2ccccc2C(C)(C)C)c(NC(=O)Nc2ccc(C)cc2)c1
CCCOc1c(NC(=O)Nc2ccc(C)cc2)cc(cc1C(C=C)c1ccccc1)-c1ccccc1-c1nnn[nH]1
CCCOc1c(CCC)cc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
CCCOc1c(C\C=C\C)cc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
CCCCc1cc(cc(NC(=O)Nc2ccc(C)cc2)c1OCCC)-c1ccccc1-c1nnn[nH]1
CCCOc1c(NC(=O)Nc2ccc(C)cc2)cc(cc1\C=C\CC(F)(F)F)-c1ccccc1-c1nnn[nH]1
CCCOc1c(NC(=O)Nc2ccc(C)cc2)cc(cc1\C=C\C=C(F)F)-c1ccccc1-c1nnn[nH]1 |(4.67,1.15,;3.33,.38,;2,1.15,;.67,.38,;-.67,1.15,;-.67,2.69,;.67,3.46,;.67,5,;-.67,5.77,;2,5.77,;3.33,5,;3.33,3.46,;4.67,2.69,;6,3.46,;7.34,2.69,;6,5,;4.67,5.77,;-2,3.46,;-3.33,2.69,;-3.33,1.15,;-2,.38,;-2,-1.16,;-.67,-1.93,;-.67,-3.47,;.67,-4.24,;.67,-5.77,;2,-3.47,;-4.67,3.46,;-4.67,5,;-6,5.77,;-7.34,5,;-7.34,3.46,;-6,2.69,;-6,1.15,;-4.76,.25,;-5.23,-1.21,;-6.77,-1.21,;-7.25,.25,)|
CCCOc1c(CCCC(F)(F)F)cc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
CCCOc1c(C\C=C/C(F)(F)F)cc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
CCCOc1c(CCCc2ccccc2)cc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O
COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C(C)(C)C)c(NC(=O)Nc2ccccc2Cl)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C(C)(C)C)c(NC(=O)Nc2ccccc2C(F)(F)F)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C(C)C)c(NC(=O)Nc2ccc(C)cc2)c1
COc1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccc(OC)c(c1)C(O)=O
COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C)c(NC(=O)Nc2ccc(C)cc2)c1
CCCc1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccc(OC)c(c1)C(O)=O
COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C(C)(C)C)c(NC(=O)Nc2ccccc2F)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C(C)(C)C)c(NC(=O)Nc2ccc(Cl)cc2Cl)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc(c2)C(C)(C)C)c(NC(=O)Nc2ccc(C)cc2)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2Cl)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2C)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2cccc(C)c2)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc(C)c2C)c(NC(=O)Nc2ccccc2Cl)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc(C)c2C)c(NC(=O)Nc2cccc(C)c2)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc(C)c2C)c(NC(=O)Nc2ccc(C)cc2)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C2CC2)c(NC(=O)Nc2ccc(C)cc2)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3ccccc23)c(NC(=O)Nc2ccccc2C)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3ccccc23)c(NC(=O)Nc2ccc(C)cc2)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CC(C)(C)Oc23)c(NC(=O)Nc2ccc(C)cc2)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc(OCC#C)c2C)c(NC(=O)Nc2ccccc2Cl)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc(OCC#C)c2C)c(NC(=O)Nc2ccc(C)cc2)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCc23)c(NC(=O)Nc2ccccc2Cl)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCc23)c(NC(=O)Nc2ccccc2C)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCc23)c(NC(=O)Nc2ccc(C)cc2)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccc3CCCCc3c2)c(NC(=O)Nc2ccc(C)cc2)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2F)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccc(C)c(C)c2)c1
CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(OC(F)F)cc1)-c1cccc(c1)C(O)=O
Cc1ccccc1NC(=O)Nc1cc(ccc1Oc1ccccc1C(C)(C)C)-c1cccc(c1)C(O)=O
Cc1cccc(NC(=O)Nc2cc(ccc2Oc2ccccc2C(C)(C)C)-c2cccc(c2)C(O)=O)c1
Cc1ccc(NC(=O)Nc2cc(ccc2Oc2ccccc2C(C)(C)C)-c2cccc(c2)C(O)=O)cc1
COc1cccc(NC(=O)Nc2cc(ccc2Oc2ccccc2C(C)(C)C)-c2cccc(c2)C(O)=O)c1
COc1ccc(NC(=O)Nc2cc(ccc2Oc2ccccc2C(C)(C)C)-c2cccc(c2)C(O)=O)cc1
CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(Cl)cc1)-c1cccc(c1)C(O)=O
CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(Br)cc1)-c1cccc(c1)C(O)=O
Cc1ccc(NC(=O)Nc2cc(ccc2Oc2cccc(Cl)c2)-c2cccc(c2)C(O)=O)cc1
Cc1ccccc1NC(=O)Nc1cc(ccc1Oc1ccccc1C(C)(C)C)-c1cc(F)cc(c1)C(O)=O
CCCOc1c(Br)cc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
CCCOc1c(C\C=C\CC)cc(cc1NC(=O)Nc1ccccc1F)-c1ccccc1-c1nnn[nH]1
CCCC(CCC)Oc1c(Br)cc(cc1NC(=O)Nc1ccccc1F)-c1ccccc1-c1nnn[nH]1
CCCCCc1cc(cc(NC(=O)Nc2ccc(C)cc2)c1OCCC)-c1ccccc1-c1nnn[nH]1
CCCCCc1cc(cc(NC(=O)Nc2ccccc2F)c1OCCC)-c1ccccc1-c1nnn[nH]1
CCCOc1c(NC(=O)Nc2ccc(C)cc2)cc(cc1C(CC)CCCc1ccccc1)-c1ccccc1-c1nnn[nH]1
CCCOc1c(NC(=O)Nc2ccc(C)cc2)cc(cc1C(CC)c1ccccc1)-c1ccccc1-c1nnn[nH]1
CCCC(Oc1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1)c1ccccc1Cl
FC(F)(F)CCOc1c(CC2CC2)cc(cc1NC(=O)Nc1ccc(cc1)C1CC1)-c1ccccc1-c1nnn[nH]1
FC(F)(F)CCOc1c(CC2CC2)cc(cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1ccccc1-c1nnn[nH]1
FC(F)(F)Oc1ccc(NC(=O)Nc2cc(cc(CC3CC3)c2OCC2CC2)-c2ccccc2-c2nnn[nH]2)cc1
Cc1cccc(NC(=O)Nc2cc(cc(CC3CC3)c2Oc2ccccc2)-c2ccccc2-c2nnn[nH]2)c1
Cc1ccc(NC(=O)Nc2cc(cnc2Oc2ccccc2C(C)(C)C)-c2cc(Cl)cc(c2)C(O)=O)cc1
Cc1ccc(NC(=O)Nc2cc(cnc2Oc2ccccc2)-c2cncc(c2)C(O)=O)cc1
O=C(CC1c2ccccc2-c2cncn12)C12CC3CC(CC(C3)C1)C2 |TLB:24:15:22:18.19.20,THB:24:19:22:15.23.16,23:15:18:22.21.20,23:21:18:15.24.16,1:15:22:18.19.20|
O=C(C[C@H]1c2ccccc2-c2cncn12)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:24:15:22:20.19.18,THB:24:19:22:15.16.23,16:15:20:22.17.18,16:17:20:15.24.23,1:15:22:20.19.18|
O=C(C[C@H]1c2ccccc2-c2cncn12)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:1:15:18:20.21.22,THB:23:15:18:20.21.22,23:21:18:15.16.24,16:15:20:18.17.22,16:17:20:15.23.24|
O=C(C[C@@H]1c2ccccc2-c2cncn12)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:24:15:22:20.19.18,THB:24:19:22:15.16.23,16:15:20:22.17.18,16:17:20:15.24.23,1:15:22:20.19.18|
O=C(C[C@@H]1c2ccccc2-c2cncn12)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:1:15:18:20.21.22,THB:23:15:18:20.21.22,23:21:18:15.16.24,16:15:20:18.17.22,16:17:20:15.23.24|
OC(CC1c2cccnc2-c2cncn12)C1CCCCC1
OC(CC1c2ncccc2-c2cncn12)C1CCCCC1
OC(CC1c2ncccc2-c2cncn12)C12CC3CC(CC(C3)C1)C2 |TLB:24:15:22:18.19.20,THB:24:19:22:15.23.16,23:15:18:22.21.20,23:21:18:15.24.16,1:15:22:18.19.20|
OC(CC1c2cc(F)ccc2-c2cncn12)C12CC3CC(CC(C3)C1)C2 |TLB:25:16:23:19.20.21,THB:25:20:23:16.24.17,24:16:19:23.22.21,24:22:19:16.25.17,1:16:23:19.20.21|
OC(CC1c2cccc(F)c2-c2cncn12)C12CC3CC(CC(C3)C1)C2 |TLB:25:16:23:19.20.21,THB:25:20:23:16.24.17,24:16:19:23.22.21,24:22:19:16.25.17,1:16:23:19.20.21|
OC(CC1c2ccccc2-c2cncn12)C12CC3CC(CC(O)(C3)C1)C2 |TLB:25:15:23:18.19.20,THB:25:19:23:15.24.16,24:15:18:23.21.20,24:21:18:15.25.16,22:21:18:15.25.16,1:15:23:18.19.20|
OC(CC1c2ccccc2-c2cncn12)C12CC3CC(C1)C(O)C(C3)C2 |TLB:22:21:18:15.16.20,1:15:21:18.17.24,THB:16:15:21:18.17.24,16:17:21:15.25.20,25:15:18:21.23.24,25:23:18:15.16.20,(.35,-1.49,;.35,.05,;-.98,.82,;-2.31,.05,;-3.72,.68,;-4.2,2.14,;-5.7,2.46,;-6.73,1.32,;-6.26,-.15,;-4.75,-.47,;-3.98,-1.8,;-4.14,-3.33,;-2.74,-3.96,;-1.71,-2.81,;-2.48,-1.48,;1.69,.82,;1.69,2.36,;3.01,3.13,;4.35,2.36,;4.35,.82,;3.01,.05,;5.18,-1.08,;6.26,-2.18,;3.79,-.43,;3.77,1.97,;2.58,-1.1,)|
OC(CC1c2ccccc2-c2cncn12)C12CC3CC(C1)[C@H](O)C(C3)C2 |r,wU:21.25,TLB:20:15:24:21.19.18,22:21:24:15.16.25,1:15:21:24.17.18,THB:16:15:21:24.17.18,16:17:21:15.20.25,20:19:24:15.16.25,(.35,-1.49,;.35,.05,;-.98,.82,;-2.31,.05,;-3.72,.68,;-4.2,2.14,;-5.7,2.46,;-6.73,1.32,;-6.26,-.15,;-4.75,-.47,;-3.98,-1.8,;-4.14,-3.33,;-2.74,-3.96,;-1.71,-2.81,;-2.48,-1.48,;1.69,.82,;1.69,2.36,;3.01,3.13,;3.77,1.97,;3.79,-.43,;2.58,-1.1,;5.18,-1.08,;6.26,-2.18,;4.35,.82,;4.35,2.36,;3.01,.05,)|
OC(CC1c2ccccc2-c2cncn12)C12CC3CC(C1)[C@H](O)C(C3)C2 |r,wD:21.25,TLB:22:21:18:15.16.20,1:15:21:18.17.24,THB:16:15:21:18.17.24,16:17:21:15.25.20,25:15:18:21.23.24,25:23:18:15.16.20,(.35,-1.49,;.35,.05,;-.98,.82,;-2.31,.05,;-3.72,.68,;-4.2,2.14,;-5.7,2.46,;-6.73,1.32,;-6.26,-.15,;-4.75,-.47,;-3.98,-1.8,;-4.14,-3.33,;-2.74,-3.96,;-1.71,-2.81,;-2.48,-1.48,;1.69,.82,;1.69,2.36,;3.01,3.13,;4.35,2.36,;4.35,.82,;3.01,.05,;5.18,-1.08,;6.26,-2.18,;3.79,-.43,;3.77,1.97,;2.58,-1.1,)|
O[C@@H](CC1c2ccccc2-c2cncn12)C12CC3CC(C1)C(O)C(C3)C2 |r,wU:1.0,TLB:22:21:18:15.16.20,1:15:21:18.17.24,THB:16:15:21:18.17.24,16:17:21:15.25.20,25:15:18:21.23.24,25:23:18:15.16.20,(.35,-1.49,;.35,.05,;-.98,.82,;-2.31,.05,;-3.72,.68,;-4.2,2.14,;-5.7,2.46,;-6.73,1.32,;-6.26,-.15,;-4.75,-.47,;-3.98,-1.8,;-4.14,-3.33,;-2.74,-3.96,;-1.71,-2.81,;-2.48,-1.48,;1.69,.82,;1.69,2.36,;3.01,3.13,;4.35,2.36,;4.35,.82,;3.01,.05,;5.18,-1.08,;6.26,-2.18,;3.79,-.43,;3.77,1.97,;2.58,-1.1,)|
CC1(O)C2CC3CC1CC(C3)(C2)C(O)CC1c2ccccc2-c2cncn12 |TLB:2:1:4:9.10.11,2:1:9.8.11:4.5.6,12:9:1:4.5.6,THB:10:9:1:4.5.6,10:5:1:9.8.11,8:9:4:1.7.6,8:7:4:9.10.11,0:1:9.8.11:4.5.6,(5.5,-2.58,;5.18,-1.08,;6.65,-.61,;4.35,.82,;4.35,2.36,;3.01,3.13,;3.77,1.97,;3.79,-.43,;2.58,-1.1,;1.69,.82,;1.69,2.36,;3.01,.05,;.35,.05,;.35,-1.49,;-.98,.82,;-2.31,.05,;-3.72,.68,;-4.2,2.14,;-5.7,2.46,;-6.73,1.32,;-6.26,-.15,;-4.75,-.47,;-3.98,-1.8,;-4.14,-3.33,;-2.74,-3.96,;-1.71,-2.81,;-2.48,-1.48,)|
C[C@@]1(O)C2CC3CC1CC(C3)(C2)C(O)CC1c2ccccc2-c2cncn12 |r,wU:1.0,wD:1.1,TLB:11:9:6:1.3.4,2:1:6:9.10.8,2:1:9.11.8:6.5.4,12:9:1:6.5.4,THB:10:9:1:6.5.4,10:5:1:9.11.8,11:3:6:9.10.8,0:1:9.11.8:6.5.4,(5.5,-2.58,;5.18,-1.08,;6.65,-.61,;3.79,-.43,;3.77,1.97,;3.01,3.13,;4.35,2.36,;4.35,.82,;3.01,.05,;1.69,.82,;1.69,2.36,;2.58,-1.1,;.35,.05,;.35,-1.49,;-.98,.82,;-2.31,.05,;-3.72,.68,;-4.2,2.14,;-5.7,2.46,;-6.73,1.32,;-6.26,-.15,;-4.75,-.47,;-3.98,-1.8,;-4.14,-3.33,;-2.74,-3.96,;-1.71,-2.81,;-2.48,-1.48,)|
OC(CC1c2ccccc2-c2cncn12)C12CC3CC(C1)C(O)C(C3)C2 |TLB:22:21:18:15.16.20,22:21:15.25.20:18.17.24,1:15:21:18.17.24,THB:16:15:21:18.17.24,16:17:21:15.25.20,25:15:18:21.23.24,25:23:18:15.16.20,(.35,-1.49,;.35,.05,;-.98,.82,;-2.31,.05,;-3.72,.68,;-4.2,2.14,;-5.7,2.46,;-6.73,1.32,;-6.26,-.15,;-4.75,-.47,;-3.98,-1.8,;-4.14,-3.33,;-2.74,-3.96,;-1.71,-2.81,;-2.48,-1.48,;1.69,.82,;1.69,2.36,;3.01,3.13,;4.35,2.36,;4.35,.82,;3.01,.05,;5.18,-1.08,;6.65,-.61,;3.79,-.43,;3.77,1.97,;2.58,-1.1,)|
OC(CC1c2ccccc2-c2cncn12)C12CC3CC(CC(C3)C1)C2 |TLB:24:15:22:18.19.20,THB:24:19:22:15.23.16,23:15:18:22.21.20,23:21:18:15.24.16,1:15:22:18.19.20|
C[C@@]1(O)C2CC3CC1CC(C3)(C2)[C@H](O)CC1c2ccccc2-c2cncn12 |r,wU:1.1,wD:12.15,1.0,TLB:2:1:4:9.10.11,2:1:9.8.11:4.5.6,12:9:1:4.5.6,THB:10:9:1:4.5.6,10:5:1:9.8.11,8:9:4:1.7.6,8:7:4:9.10.11,0:1:9.8.11:4.5.6,(5.5,-2.58,;5.18,-1.08,;6.65,-.61,;4.35,.82,;4.35,2.36,;3.01,3.13,;3.77,1.97,;3.79,-.43,;2.58,-1.1,;1.69,.82,;1.69,2.36,;3.01,.05,;.35,.05,;.35,-1.49,;-.98,.82,;-2.31,.05,;-3.72,.68,;-4.2,2.14,;-5.7,2.46,;-6.73,1.32,;-6.26,-.15,;-4.75,-.47,;-3.98,-1.8,;-4.14,-3.33,;-2.74,-3.96,;-1.71,-2.81,;-2.48,-1.48,)|
C[C@@]1(O)C2CC3CC1CC(C3)(C2)[C@@H](O)CC1c2ccccc2-c2cncn12 |r,wU:12.15,1.1,wD:1.0,TLB:2:1:4:9.10.11,2:1:9.8.11:4.5.6,12:9:1:4.5.6,THB:10:9:1:4.5.6,10:5:1:9.8.11,8:9:4:1.7.6,8:7:4:9.10.11,0:1:9.8.11:4.5.6,(5.5,-2.58,;5.18,-1.08,;6.65,-.61,;4.35,.82,;4.35,2.36,;3.01,3.13,;3.77,1.97,;3.79,-.43,;2.58,-1.1,;1.69,.82,;1.69,2.36,;3.01,.05,;.35,.05,;.35,-1.49,;-.98,.82,;-2.31,.05,;-3.72,.68,;-4.2,2.14,;-5.7,2.46,;-6.73,1.32,;-6.26,-.15,;-4.75,-.47,;-3.98,-1.8,;-4.14,-3.33,;-2.74,-3.96,;-1.71,-2.81,;-2.48,-1.48,)|
OC(CC1c2c(cccc2F)-c2cncn12)C12CC3CC(CC(C3)C1)C2 |TLB:25:16:23:19.20.21,THB:25:20:23:16.24.17,24:16:19:23.22.21,24:22:19:16.25.17,1:16:23:19.20.21|
OC(CC1c2c(cccc2F)-c2cncn12)C12CC3CC(CC(O)(C3)C1)C2 |TLB:26:16:24:19.20.21,THB:26:20:24:16.25.17,25:16:19:24.22.21,25:22:19:16.26.17,23:22:19:16.26.17,1:16:24:19.20.21|
O[C@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)C(O)C(C3)C2 |r,wD:1.0,TLB:23:22:19:16.17.21,23:22:16.26.21:19.18.25,1:16:22:19.18.25,THB:17:16:22:19.18.25,17:18:22:16.26.21,26:16:19:22.24.25,26:24:19:16.17.21,(.35,-1.49,;.35,.05,;-.98,.82,;-2.31,.05,;-3.72,.68,;-4.75,-.47,;-6.26,-.15,;-6.73,1.32,;-5.7,2.46,;-4.2,2.14,;-3.17,3.29,;-3.98,-1.8,;-4.14,-3.33,;-2.74,-3.96,;-1.71,-2.81,;-2.48,-1.48,;1.69,.82,;1.69,2.36,;3.01,3.13,;4.35,2.36,;4.35,.82,;3.01,.05,;5.18,-1.08,;6.65,-.61,;3.79,-.43,;3.77,1.97,;2.58,-1.1,)|
O[C@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](O)C(C3)C2 |r,wD:1.0,22.26,TLB:23:22:19:16.17.21,23:22:16.26.21:19.18.25,1:16:22:19.18.25,THB:17:16:22:19.18.25,17:18:22:16.26.21,26:16:19:22.24.25,26:24:19:16.17.21,(.35,-1.49,;.35,.05,;-.98,.82,;-2.31,.05,;-3.72,.68,;-4.75,-.47,;-6.26,-.15,;-6.73,1.32,;-5.7,2.46,;-4.2,2.14,;-3.17,3.29,;-3.98,-1.8,;-4.14,-3.33,;-2.74,-3.96,;-1.71,-2.81,;-2.48,-1.48,;1.69,.82,;1.69,2.36,;3.01,3.13,;4.35,2.36,;4.35,.82,;3.01,.05,;5.18,-1.08,;6.65,-.61,;3.79,-.43,;3.77,1.97,;2.58,-1.1,)|
O[C@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](O)C(C3)C2 |r,wU:22.26,wD:1.0,TLB:21:16:25:22.20.19,23:22:25:16.17.26,23:22:16.21.26:25.18.19,1:16:22:25.18.19,THB:17:16:22:25.18.19,17:18:22:16.21.26,21:20:25:16.17.26,(.35,-1.49,;.35,.05,;-.98,.82,;-2.31,.05,;-3.72,.68,;-4.75,-.47,;-6.26,-.15,;-6.73,1.32,;-5.7,2.46,;-4.2,2.14,;-3.17,3.29,;-3.98,-1.8,;-4.14,-3.33,;-2.74,-3.96,;-1.71,-2.81,;-2.48,-1.48,;1.69,.82,;1.69,2.36,;3.01,3.13,;3.77,1.97,;3.79,-.43,;2.58,-1.1,;5.18,-1.08,;6.65,-.61,;4.35,.82,;4.35,2.36,;3.01,.05,)|
O[C@@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](O)C(C3)C2 |r,wU:1.0,wD:22.26,TLB:23:22:19:16.17.21,23:22:16.26.21:19.18.25,1:16:22:19.18.25,THB:17:16:22:19.18.25,17:18:22:16.26.21,26:16:19:22.24.25,26:24:19:16.17.21,(.35,-1.49,;.35,.05,;-.98,.82,;-2.31,.05,;-3.72,.68,;-4.75,-.47,;-6.26,-.15,;-6.73,1.32,;-5.7,2.46,;-4.2,2.14,;-3.17,3.29,;-3.98,-1.8,;-4.14,-3.33,;-2.74,-3.96,;-1.71,-2.81,;-2.48,-1.48,;1.69,.82,;1.69,2.36,;3.01,3.13,;4.35,2.36,;4.35,.82,;3.01,.05,;5.18,-1.08,;6.65,-.61,;3.79,-.43,;3.77,1.97,;2.58,-1.1,)|
O[C@@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](O)C(C3)C2 |r,wU:1.0,22.26,TLB:21:16:25:22.20.19,23:22:25:16.17.26,23:22:16.21.26:25.18.19,1:16:22:25.18.19,THB:17:16:22:25.18.19,17:18:22:16.21.26,21:20:25:16.17.26,(.35,-1.49,;.35,.05,;-.98,.82,;-2.31,.05,;-3.72,.68,;-4.75,-.47,;-6.26,-.15,;-6.73,1.32,;-5.7,2.46,;-4.2,2.14,;-3.17,3.29,;-3.98,-1.8,;-4.14,-3.33,;-2.74,-3.96,;-1.71,-2.81,;-2.48,-1.48,;1.69,.82,;1.69,2.36,;3.01,3.13,;3.77,1.97,;3.79,-.43,;2.58,-1.1,;5.18,-1.08,;6.65,-.61,;4.35,.82,;4.35,2.36,;3.01,.05,)|
O[C@@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)C(O)C(C3)C2 |r,wU:1.0,TLB:23:22:19:16.17.21,23:22:16.26.21:19.18.25,1:16:22:19.18.25,THB:17:16:22:19.18.25,17:18:22:16.26.21,26:16:19:22.24.25,26:24:19:16.17.21,(.35,-1.49,;.35,.05,;-.98,.82,;-2.31,.05,;-3.72,.68,;-4.75,-.47,;-6.26,-.15,;-6.73,1.32,;-5.7,2.46,;-4.2,2.14,;-3.17,3.29,;-3.98,-1.8,;-4.14,-3.33,;-2.74,-3.96,;-1.71,-2.81,;-2.48,-1.48,;1.69,.82,;1.69,2.36,;3.01,3.13,;4.35,2.36,;4.35,.82,;3.01,.05,;5.18,-1.08,;6.65,-.61,;3.79,-.43,;3.77,1.97,;2.58,-1.1,)|
OC(Cn1c2cncn2c2ccccc12)C12CC3CC(CC(C3)C1)C2 |TLB:1:15:18:22.21.20,24:15:22:18.19.20,THB:23:15:18:22.21.20,23:21:18:15.24.16,24:19:22:15.23.16|
OC(CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)C(NS(=O)(=O)Cc1ccccc1)C(C3)C2 |w:22.26,TLB:35:34:21:17.19.18,1:16:22:19.35.18,THB:17:16:22:19.35.18,17:18:22:16.21.36,35:18:21:22.34.36,TEB:23:22:21:17.19.18,23:22:16.21.36:19.35.18,23:22:16.21.17:19,(-2.55,-8.1,;-2.55,-6.56,;-3.89,-5.79,;-5.22,-6.56,;-6.37,-5.53,;-7.7,-6.3,;-9.03,-5.53,;-9.03,-3.99,;-7.7,-3.22,;-6.37,-3.99,;-5.03,-3.22,;-7.38,-7.81,;-8.01,-9.21,;-6.86,-10.24,;-5.53,-9.47,;-5.85,-7.97,;-1.22,-5.79,;-1.22,-4.25,;-.13,-3.16,;1.21,-4.58,;1.21,-6.12,;-.13,-6.88,;2.75,-6.12,;4.08,-6.89,;5.17,-5.8,;4.08,-4.71,;6.26,-4.71,;6.66,-6.2,;7.75,-5.11,;9.23,-5.51,;10.32,-4.42,;9.92,-2.93,;8.44,-2.53,;7.35,-3.62,;1.66,-5.03,;1.66,-3.49,;.32,-5.79,)|
O[C@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](NS(=O)(=O)Cc1ccccc1)C(C3)C2 |r,wD:22.26,1.0,TLB:19:20:36:17.35.18,19:18:36:22.20.21,1:16:22:35.19.18,THB:17:16:22:35.19.18,17:18:22:16.36.21,23:22:36:17.35.18,(-2.55,-8.1,;-2.55,-6.56,;-3.89,-5.79,;-5.22,-6.56,;-6.37,-5.53,;-7.7,-6.3,;-9.03,-5.53,;-9.03,-3.99,;-7.7,-3.22,;-6.37,-3.99,;-5.03,-3.22,;-7.38,-7.81,;-8.01,-9.21,;-6.86,-10.24,;-5.53,-9.47,;-5.85,-7.97,;-1.22,-5.79,;-1.22,-4.25,;-.13,-3.16,;1.66,-3.49,;1.66,-5.03,;.32,-5.79,;2.75,-6.12,;4.08,-6.89,;5.17,-5.8,;4.08,-4.71,;6.26,-4.71,;6.66,-6.2,;7.75,-5.11,;9.23,-5.51,;10.32,-4.42,;9.92,-2.93,;8.44,-2.53,;7.35,-3.62,;1.21,-6.12,;1.21,-4.58,;-.13,-6.88,)|
O[C@@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](NS(=O)(=O)Cc1ccccc1)C(C3)C2 |r,wU:22.26,1.0,TLB:35:34:21:17.19.18,1:16:22:19.35.18,THB:17:16:22:19.35.18,17:18:22:16.21.36,35:18:21:22.34.36,23:22:21:17.19.18,(-2.55,-8.1,;-2.55,-6.56,;-3.89,-5.79,;-5.22,-6.56,;-6.37,-5.53,;-7.7,-6.3,;-9.03,-5.53,;-9.03,-3.99,;-7.7,-3.22,;-6.37,-3.99,;-5.03,-3.22,;-7.38,-7.81,;-8.01,-9.21,;-6.86,-10.24,;-5.53,-9.47,;-5.85,-7.97,;-1.22,-5.79,;-1.22,-4.25,;-.13,-3.16,;1.21,-4.58,;1.21,-6.12,;-.13,-6.88,;2.75,-6.12,;4.08,-6.89,;5.17,-5.8,;4.08,-4.71,;6.26,-4.71,;6.66,-6.2,;7.75,-5.11,;9.23,-5.51,;10.32,-4.42,;9.92,-2.93,;8.44,-2.53,;7.35,-3.62,;1.66,-5.03,;1.66,-3.49,;.32,-5.79,)|
CS(=O)(=O)NC1C2CC3CC1CC(C3)(C2)C(O)CC1c2c(cccc2F)-c2cncn12 |w:5.4,TLB:15:12:5:7.8.9,THB:13:12:5:7.8.9,13:8:5:12.11.14,11:12:7:5.10.9,11:10:7:12.13.14,TEB:4:5:7:12.13.14,4:5:12.11.14:7.8.9,4:5:7.13.8:14,(8.09,-.4,;6.76,.37,;7.53,1.7,;5.99,1.7,;5.42,-.4,;3.93,-0,;3.1,1.25,;3.1,2.79,;1.77,3.56,;2.52,2.39,;2.54,-.01,;1.34,-.68,;.44,1.25,;.44,2.79,;1.77,.48,;-.89,.48,;-.89,-1.06,;-2.23,1.25,;-3.56,.48,;-5.03,.95,;-5.93,-.29,;-7.46,-.13,;-8.09,1.27,;-7.18,2.52,;-5.65,2.36,;-4.56,3.45,;-5.03,-1.54,;-5.03,-3.08,;-3.56,-3.56,;-2.66,-2.31,;-3.56,-1.06,)|
OC(CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)C(NC(=O)CC1CCCCC1)C(C3)C2 |w:23.26,TLB:19:20:35:17.34.18,19:18:35:22.21.20,THB:22:33:17:21.20.19,22:20:17:33.35.34,TEB:23:22:21:17.19.18,23:22:35:17.34.18,(-1.47,-8.04,;-1.07,-6.55,;-2.16,-5.46,;-3.65,-5.86,;-4.79,-4.83,;-6.13,-5.6,;-7.46,-4.83,;-7.46,-3.29,;-6.13,-2.52,;-4.79,-3.29,;-3.46,-2.52,;-5.8,-7.11,;-6.43,-8.51,;-5.28,-9.54,;-3.95,-8.77,;-4.27,-7.27,;.42,-6.15,;.42,-4.38,;1.8,-3.44,;3.29,-3.84,;3.29,-5.38,;1.96,-6.15,;4.53,-6.45,;6.01,-6.85,;7.1,-5.76,;8.59,-6.16,;6.7,-4.27,;7.79,-3.18,;7.39,-1.69,;8.48,-.61,;9.97,-1,;10.37,-2.49,;9.28,-3.58,;2.84,-6.47,;2.84,-4.93,;1.51,-7.24,)|
OC(CC1c2ccccc2-c2cncn12)C12CC3CC(C1)C(NC(=O)c1ccccc1)C(C3)C2 |w:21.25,TLB:1:15:18:31.32.21,THB:16:15:18.17.32:21,16:17:15.33.20:21,33:15:18:31.32.21,33:31:18:15.16.20,TEB:22:21:18:15.16.20,22:21:18.16.17:20,22:21:15.33.20:18.17.32,(-2.86,-1.18,;-2.46,.3,;-3.55,1.39,;-5.04,.99,;-6.5,1.47,;-7.13,2.88,;-8.66,3.04,;-9.56,1.79,;-8.94,.38,;-7.41,.22,;-6.5,-1.02,;-6.5,-2.56,;-5.04,-3.04,;-4.13,-1.79,;-5.04,-.55,;-.97,.7,;-.97,2.24,;.36,3.01,;1.69,2.24,;1.69,.7,;.36,-.07,;2.52,-1.2,;4.01,-1.6,;5.1,-.51,;4.7,.98,;6.59,-.91,;6.99,-2.39,;8.47,-2.79,;9.56,-1.7,;9.16,-.22,;7.68,.18,;1.13,-.56,;1.11,1.85,;-.08,-1.22,)|
OC(CC1c2ccccc2-c2cncn12)C12CC3CC(C1)[C@H](NC(=O)c1ccccc1)C(C3)C2 |r,wD:21.25,TLB:1:15:18:31.32.21,22:21:18:15.16.20,22:21:15.33.20:18.17.32,THB:16:15:18.17.32:21,16:17:15.33.20:21,33:15:18:31.32.21,33:31:18:15.16.20,(-2.86,-1.18,;-2.46,.3,;-3.55,1.39,;-5.04,.99,;-6.5,1.47,;-7.13,2.88,;-8.66,3.04,;-9.56,1.79,;-8.94,.38,;-7.41,.22,;-6.5,-1.02,;-6.5,-2.56,;-5.04,-3.04,;-4.13,-1.79,;-5.04,-.55,;-.97,.7,;-.97,2.24,;.36,3.01,;1.69,2.24,;1.69,.7,;.36,-.07,;2.52,-1.2,;4.01,-1.6,;5.1,-.51,;4.7,.98,;6.59,-.91,;6.99,-2.39,;8.47,-2.79,;9.56,-1.7,;9.16,-.22,;7.68,.18,;1.13,-.56,;1.11,1.85,;-.08,-1.22,)|
OC(CC1c2ccccc2-c2cncn12)C12CC3CC(C1)C(NC(=O)Cc1ccccc1)C(C3)C2 |TLB:1:15:18:32.33.21,22:21:18:15.16.20,22:21:15.34.20:18.17.33,THB:16:15:18.17.33:21,16:17:15.34.20:21,34:15:18:32.33.21,34:32:18:15.16.20,(-2.51,-.02,;-2.11,1.47,;-3.2,2.56,;-4.69,2.16,;-6.15,2.64,;-6.78,4.04,;-8.31,4.2,;-9.22,2.96,;-8.59,1.55,;-7.06,1.39,;-6.15,.14,;-6.15,-1.4,;-4.69,-1.87,;-3.79,-.63,;-4.69,.62,;-.63,1.87,;-.63,3.41,;.7,4.18,;2.04,3.41,;2.04,1.87,;.7,1.1,;2.87,-.03,;4.36,-.43,;5.45,.66,;5.05,2.14,;6.93,.26,;7.33,-1.23,;6.24,-2.32,;6.64,-3.81,;8.13,-4.2,;9.22,-3.11,;8.82,-1.63,;1.47,.61,;1.46,3.01,;.27,-.06,)|
OC(CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)C(NC(=O)Nc1ccccc1)C(C3)C2 |w:22.26,TLB:1:16:19.18.34:22,THB:17:16:19.18.34:22,17:18:16.35.21:22,35:16:19:33.34.22,35:33:19:16.17.21,TEB:23:22:19:16.17.21,23:22:19.17.18:21,23:22:16.35.21:19.18.34,(-2.35,-.56,;-2.35,.98,;-3.68,1.75,;-5.02,.98,;-6.16,2.01,;-7.49,1.24,;-8.83,2.01,;-8.83,3.55,;-7.49,4.32,;-6.16,3.55,;-4.83,4.32,;-7.17,-.27,;-7.8,-1.67,;-6.66,-2.7,;-5.32,-1.93,;-5.64,-.43,;-1.02,1.75,;-1.02,3.29,;.31,4.06,;1.65,3.29,;1.65,1.75,;.31,.98,;2.48,-.15,;3.97,-.55,;5.06,.54,;4.66,2.03,;6.54,.14,;6.94,-1.35,;5.85,-2.44,;6.25,-3.92,;7.74,-4.32,;8.83,-3.23,;8.43,-1.74,;1.08,.49,;1.07,2.89,;-.12,-.17,)|
CC(C)(O)CCOC1C2CC3CC1CC(C3)(C2)C(O)CC1c2c(cccc2F)-c2cncn12 |w:7.6,TLB:7:8:12.13.11:15,11:12:16:9.15.10,11:10:16:7.12.13,THB:7:12:16.8.9:15,TEB:6:7:16:9.15.10,6:7:13:11.15.10,(9.57,-2.56,;9.97,-4.05,;11.45,-4.45,;10.37,-5.53,;8.88,-5.14,;7.39,-4.74,;6.3,-5.83,;4.81,-5.43,;3.27,-5.43,;3.27,-3.51,;2.24,-2.53,;3.72,-2.8,;3.72,-4.34,;2.39,-5.1,;.85,-5.1,;.85,-3.56,;1.94,-6.19,;-.49,-5.87,;-.49,-7.41,;-1.82,-5.1,;-3.15,-5.87,;-4.62,-5.4,;-5.52,-6.64,;-7.06,-6.48,;-7.68,-5.07,;-6.78,-3.83,;-5.25,-3.99,;-4.48,-2.65,;-4.62,-7.89,;-4.62,-9.43,;-3.15,-9.9,;-2.25,-8.66,;-3.15,-7.41,)|
OCCO[C@H]1C2CC3CC1CC(C3)(C2)C(O)CC1c2c(cccc2F)-c2cncn12 |r,wU:4.3,TLB:4:5:9.10.8:12,8:9:13:6.12.7,8:7:13:4.9.10,THB:4:9:13.5.6:12,3:4:13:6.12.7,(9.97,-4.05,;8.88,-5.13,;7.39,-4.74,;6.3,-5.83,;4.81,-5.43,;3.27,-5.43,;3.27,-3.51,;2.24,-2.53,;3.72,-2.8,;3.72,-4.34,;2.39,-5.1,;.85,-5.1,;.85,-3.56,;1.94,-6.19,;-.49,-5.87,;-.49,-7.41,;-1.82,-5.1,;-3.15,-5.87,;-4.62,-5.39,;-5.52,-6.64,;-7.06,-6.48,;-7.68,-5.07,;-6.78,-3.83,;-5.25,-3.99,;-4.48,-2.65,;-4.62,-7.89,;-4.62,-9.43,;-3.15,-9.9,;-2.25,-8.66,;-3.15,-7.41,)|
OC(CC1c2ccccc2-c2cncn12)C12CC3CC(C1)C(C(C3)C2)c1ccccc1 |w:21.30,TLB:1:15:21:18.23.17,23:22:20:18.16.17,THB:23:17:20:21.22.24,16:15:21:18.23.17,16:17:21:15.20.24,TEB:25:21:20:18.16.17,25:21:15.20.24:18.23.17,25:21:18:15.20.16,(-6.52,-.3,;-6.52,1.24,;-7.85,2.01,;-9.19,1.24,;-10.59,1.86,;-11.07,3.33,;-12.58,3.65,;-13.61,2.5,;-13.13,1.04,;-11.63,.72,;-10.86,-.62,;-11.02,-2.15,;-9.61,-2.77,;-8.58,-1.63,;-9.35,-.3,;-5.19,2.01,;-5.19,3.55,;-3.8,4.58,;-2.76,3.6,;-2.76,1.68,;-4.1,.92,;-1.22,1.68,;-2.31,2.77,;-2.31,4.31,;-3.65,2.01,;.27,1.28,;.67,-.21,;2.15,-.61,;3.24,.48,;2.84,1.97,;1.36,2.37,)|
CS(=O)(=O)NCCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O |w:25.26|
NS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
CS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O |w:24.25|
NS(=O)(=O)NCCCNc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O |w:25.26|
OCCC1c2ccccc2-c2cncn12
CCOC(=O)CC1c2ccccc2-c2cncn12
OC(=O)CC1c2ccccc2-c2cncn12
CNC(=O)CC1c2ccccc2-c2cncn12
Brc1ccccc1\C=C\C1c2ccccc2-c2cncn12
OC(CC1c2c(cccc2Cl)-c2cncn12)C1CCCCC1
Clc1cccc2-c3cncn3C(CC(=O)C3CCCCC3)c12
CC(C)[C@H]1CC[C@H](C)C[C@H]1OCC(=O)OCCC1c2ccccc2-c2cncn12 |r|
CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)CC1c2ccccc2-c2cncn12
Nc1ccc(cc1)C(=O)CC1c2ccccc2-c2cncn12
CC(C)(C)OC(=O)Nc1ccc(cc1)C(O)CC1c2ccccc2-c2cncn12
Nc1ccc(cc1)C(O)CC1c2ccccc2-c2cncn12
c1ccc2c(c1)-c3cncn3[C@H]2C[C@H](C4CCCCC4)O
O=[NH+]c1cccc(c1)C(=O)CC1c2ccccc2-c2cncn12
OC(CC1c2ccccc2-c2cncn12)c1cccc(c1)[NH+]=O
[O-][N+](=O)c1ccccc1C(=O)CC1c2ccccc2-c2cncn12
OC(CC1c2ccccc2-c2cncn12)c1ccccc1[N+]([O-])=O
CC(C)(C)OC(=O)Nc1ccccc1C(=O)CC1c2ccccc2-c2cncn12
CC(C)(C)OC(=O)Nc1ccccc1C(O)CC1c2ccccc2-c2cncn12
Nc1ccccc1C(=O)CC1c2ccccc2-c2cncn12
Nc1ccccc1C(O)CC1c2ccccc2-c2cncn12
Clc1ccccc1C(=O)CC1c2ccccc2-c2cncn12
CC(C)(O)CC1c2ccccc2-c2cncn12
OC(CC1c2ccccc2-c2cncn12)c1ccccc1Cl
OC(CC1c2ccccc2-c2cncn12)c1cccc(Cl)c1
O=C(CC1c2ccccc2-c2cncn12)c1ccccc1
OC(CC1c2ccccc2-c2cncn12)c1ccccc1
Cc1coc(C)c1C(O)CC1c2c(cccc2F)-c2cncn12
Clc1cccc(c1)C(=O)CC1c2ccccc2-c2cncn12
c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)CC(=O)C4CCCCC4
OC(CC1c2c(cccc2F)-c2cncn12)C1CCCCC1
OC(CC1c2ccccc2-c2cncn12)C1CCOCC1
OC(CC1c2cc(Cl)ccc2-c2cncn12)C1CCCCC1
O\N=C(\CC1c2ccccc2-c2cncn12)C1CCCCC1
OC(CC1c2ccccc2-c2cncn12)C1CCCC1
CC(C)(C)OC(=O)N1CCC(CC1)C(O)CC1c2ccccc2-c2cncn12
NC(CC1c2ccccc2-c2cncn12)C1CCCCC1
CC(C)(C)OC(=O)Nc1cccc(c1)C(O)CC1c2ccccc2-c2cncn12
Nc1cccc(c1)C(O)CC1c2ccccc2-c2cncn12
OC(CC1c2ccccc2-c2cncn12)C1CCNCC1
OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(O)CC1 |(2.62,3.33,;1.85,2,;.31,2,;-.46,.67,;-2,.51,;-2.32,-1,;-3.78,-1.48,;-4.93,-.45,;-4.61,1.06,;-3.14,1.54,;-2.74,3.02,;-.98,-1.77,;-.36,-3.18,;1.18,-3.02,;1.5,-1.51,;.16,-.74,;2.62,.67,;1.85,-.67,;2.62,-2,;4.16,-2,;4.93,-3.33,;4.93,-.67,;4.16,.67,)|
COc1cccc2C(CC(O)C3CCCCC3)n3cncc3-c12
OC(CC1c2cccc(O)c2-c2cncn12)C1CCCCC1
OC(CC1c2ccc(Cl)cc2-c2cncn12)C1CCCCC1
OC(CC1c2ccccc2-c2cncn12)C1=CCCCC1 |t:18|
OC(CC1c2ccc(F)cc2-c2cncn12)C1CCCCC1
OC(CC1c2c(cccc2F)-c2cncn12)C1CCC2(CC1)OCCO2
OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(=O)CC1
OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(=C)CC1
OC(CC1c2ccccc2-c2cncn12)C1CCC=CC1 |c:21|
OCC1CCC(CC1)C(O)CC1c2ccccc2-c2cncn12 |(5.93,-1.89,;4.44,-2.29,;3.35,-1.2,;1.87,-1.6,;.78,-.51,;1.18,.98,;2.66,1.38,;3.75,.29,;.09,2.07,;.49,3.56,;-1.4,1.67,;-1.8,.18,;-3.26,-.29,;-4.6,.48,;-5.93,-.29,;-5.93,-1.83,;-4.6,-2.6,;-3.26,-1.83,;-1.8,-2.31,;-.89,-3.56,;.57,-3.08,;.57,-1.54,;-.89,-1.06,)|
OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)c1cccs1
CC(=O)N1CCC(CC1)C(O)CC1c2ccccc2-c2cncn12
OC(CC1c2ccccc2-c2cncn12)C1CCC(=C)CC1
CC1CCC(CC1)C(O)CC1c2c(cccc2F)-c2cncn12 |(4.97,-3.33,;4.2,-2,;2.66,-2,;1.89,-.67,;2.66,.67,;4.2,.67,;4.97,-.67,;1.89,2,;2.66,3.33,;.35,2,;-.42,.67,;-1.96,.67,;-2.43,-.8,;-3.94,-1.12,;-4.97,.03,;-4.5,1.49,;-2.99,1.81,;-2.59,3.3,;-1.19,-1.7,;-.71,-3.17,;.83,-3.17,;1.3,-1.7,;.06,-.8,)|
Cn1cnc(c1)C(O)CC1c2ccccc2-c2cncn12
OC(CC1c2ccccc2-c2cncn12)c1cscn1
OC(CC1c2ccccc2-c2cncn12)c1cncs1
CC(C)(C)C(=O)N1CCC(CC1)C(O)CC1c2ccccc2-c2cncn12
OC(CC1c2c(cccc2F)-c2cncn12)c1ccco1
Cn1ccnc1C(O)CC1c2c(cccc2F)-c2cncn12
OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(CC1)=CI |(.49,3.56,;.09,2.07,;-1.4,1.67,;-1.8,.18,;-3.26,-.29,;-3.26,-1.83,;-4.6,-2.6,;-5.93,-1.83,;-5.93,-.29,;-4.6,.48,;-4.6,2.02,;-1.8,-2.31,;-.89,-3.56,;.57,-3.08,;.57,-1.54,;-.89,-1.06,;1.18,.98,;.78,-.51,;1.87,-1.6,;3.35,-1.2,;3.75,.29,;2.66,1.38,;4.44,-2.29,;5.93,-1.89,)|
CC(C(O)C1CCCCC1)C1c2ccccc2-c2cncn12
N#CCC1c2ccccc2-c2cncn12
OC(CC1c2c(cccc2F)-c2cncn12)CC1CCCCC1
OC(CC1c2ccccc2-c2cncn12)CC1CCCCC1
OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccccc1
OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(F)(F)CC1
OC(CC1c2ccccc2-c2cncn12)C1CCC(F)(F)CC1
Cn1cncc1C(O)CC1c2c(cccc2F)-c2cncn12
OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(CC1)=CC1CC1 |(-.26,3.56,;-.66,2.07,;-2.14,1.67,;-2.54,.18,;-4.01,-.29,;-4.01,-1.83,;-5.34,-2.6,;-6.67,-1.83,;-6.67,-.29,;-5.34,.48,;-5.34,2.02,;-2.54,-2.31,;-1.64,-3.56,;-.17,-3.08,;-.17,-1.54,;-1.64,-1.06,;.43,.98,;.03,-.51,;1.12,-1.6,;2.61,-1.2,;3.01,.29,;1.92,1.38,;3.7,-2.29,;5.19,-1.89,;6.67,-2.29,;6.28,-.8,)|
[#6]\[#6](-[#6])=[#6]-1\[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6](-[#8])-[#6]-[#6]-1-c2c(cccc2F)-c2cncn-12
C1CCC(CC1)\C=C\C1c2ccccc2-c2cncn12
CC1CCC(CC1)C(O)CC1c2cccc(F)c2-c2cncn12 |(4.04,-3.52,;3.64,-2.03,;2.15,-1.63,;1.75,-.15,;2.84,.94,;4.33,.54,;4.73,-.94,;2.44,2.43,;3.53,3.52,;.96,2.83,;-.13,1.74,;-1.66,1.9,;-2.57,3.15,;-4.1,2.99,;-4.73,1.58,;-3.82,.33,;-4.59,-1,;-2.29,.49,;-1.15,-.54,;-.83,-2.04,;.71,-2.2,;1.33,-.8,;.19,.23,)|
OC(CC1c2c(cccc2F)-c2cncn12)C1CCC=CC1 |c:22|
O[C@H](C[C@@H]1c2ccccc2-c2cncn12)C1CCCCC1 |r|
O[C@@H](C[C@@H]1c2ccccc2-c2cncn12)C1CCCCC1 |r|
O[C@@H](C[C@H]1c2ccccc2-c2cncn12)C1CCCCC1 |r|
O[C@H](C[C@H]1c2ccccc2-c2cncn12)C1CCCCC1 |r|
OC(C=c1c2ccccc2c2cncn12)C1CCCCC1 |w:2.1|
CC(=O)OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
OC(CC1c2ccccc2-c2cncn12)C1CCC(CC1)=CCOCc1ccccc1 |(-4.24,-2.01,;-3.84,-.52,;-4.93,.57,;-6.42,.17,;-7.57,1.2,;-7.57,2.74,;-8.9,3.51,;-10.23,2.74,;-10.23,1.2,;-8.9,.43,;-8.58,-1.07,;-9.21,-2.48,;-8.06,-3.51,;-6.73,-2.74,;-7.05,-1.24,;-2.36,-.12,;-1.27,-1.21,;.22,-.81,;.62,.68,;-.47,1.77,;-1.96,1.37,;2.11,1.08,;3.19,-.01,;4.68,.38,;5.77,-.7,;7.26,-.31,;8.35,-1.39,;9.83,-1,;10.23,.49,;9.14,1.58,;7.66,1.18,)|
OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)S(=O)(=O)Cc1ccccc1
OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1cncnc1
OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccc(F)c(F)c1
OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)C1CCCCC1
COC(=O)C1CCC(CC1)C(O)CC1c2ccccc2-c2cncn12 |(7.1,-3.03,;5.56,-3.03,;4.79,-1.7,;5.56,-.37,;3.25,-1.7,;2.48,-3.03,;.94,-3.03,;.17,-1.7,;.94,-.37,;2.48,-.37,;-1.37,-1.7,;-2.14,-3.03,;-2.14,-.37,;-3.68,-.37,;-4.52,.92,;-4.12,2.41,;-5.21,3.5,;-6.7,3.1,;-7.1,1.61,;-6.01,.53,;-6.09,-1.01,;-7.06,-2.21,;-6.22,-3.5,;-4.73,-3.1,;-4.65,-1.56,)|
O=C(Nc1ccccc1)OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
OC(=O)CCC(=O)OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
OC(CC1c2ccccc2-c2cncn12)C1CCC(O)CC1 |(-.18,-2.01,;.22,-.52,;-.87,.57,;-2.36,.17,;-3.5,1.2,;-3.5,2.74,;-4.84,3.51,;-6.17,2.74,;-6.17,1.2,;-4.84,.43,;-4.52,-1.07,;-5.14,-2.48,;-4,-3.51,;-2.66,-2.74,;-2.98,-1.24,;1.71,-.12,;2.8,-1.21,;4.28,-.81,;4.68,.68,;6.17,1.08,;3.59,1.77,;2.11,1.37,)|
OCC1CCC(CC1)C(O)CC1c2ccccc2-c2cncn12 |(6.98,.51,;5.89,1.6,;4.4,1.2,;4.01,-.28,;2.52,-.68,;1.43,.41,;1.83,1.89,;3.32,2.29,;-.06,.01,;-.46,-1.48,;-1.15,1.1,;-2.63,.7,;-4.01,1.4,;-4.4,2.89,;-5.89,3.28,;-6.98,2.19,;-6.58,.71,;-5.1,.31,;-4.4,-1.06,;-4.64,-2.58,;-3.26,-3.28,;-2.18,-2.19,;-2.88,-.82,)|
O=C(OC(CC1c2ccccc2-c2cncn12)C1CCCCC1)c1ccccc1
CS(=O)(=O)NCCNC(=O)C1CCC(CC1)C(O)CC1c2ccccc2-c2cncn12 |(7.95,-4.88,;6.86,-3.79,;7.95,-2.71,;5.77,-4.88,;5.77,-2.71,;6.17,-1.22,;5.08,-.13,;5.48,1.36,;4.39,2.45,;4.79,3.93,;2.9,2.05,;2.5,.56,;1.02,.16,;-.07,1.25,;.33,2.74,;1.81,3.14,;-1.56,.85,;-1.96,-.63,;-2.65,1.94,;-4.14,1.54,;-5.28,2.57,;-5.28,4.11,;-6.61,4.88,;-7.95,4.11,;-7.95,2.57,;-6.61,1.8,;-6.29,.3,;-6.92,-1.11,;-5.78,-2.14,;-4.44,-1.37,;-4.76,.14,)|
CC(C)C([NH3+])C(=O)OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
[O-]P([O-])(=O)OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
OC(CC1c2ccccc2-c2cncn12)C1CCC(CC1)C(O)=O |(-.46,-1.48,;-.06,.01,;-1.15,1.1,;-2.63,.7,;-4.01,1.4,;-4.4,2.89,;-5.89,3.28,;-6.98,2.19,;-6.58,.71,;-5.1,.31,;-4.4,-1.06,;-4.64,-2.58,;-3.26,-3.28,;-2.18,-2.19,;-2.88,-.82,;1.43,.41,;2.52,-.68,;4.01,-.28,;4.4,1.2,;3.32,2.29,;1.83,1.89,;5.89,1.6,;6.98,.51,;6.29,3.09,)|
OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccncc1
OC(CC1c2ccccc2-c2cncn12)C1CCC2(CC2)CC1
OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccc(F)cc1
C[C@H](N)C(=O)OC(CC1c2ccccc2-c2cncn12)C1CCCCC1 |r|
OCC=C1CCC(CC1)C(O)CC1c2ccccc2-c2cncn12 |(7.46,.38,;5.97,-.01,;4.88,1.08,;3.39,.68,;2.99,-.81,;1.51,-1.21,;.42,-.12,;.82,1.37,;2.3,1.77,;-1.07,-.52,;-1.47,-2.01,;-2.16,.57,;-3.65,.17,;-4.79,1.2,;-4.79,2.74,;-6.12,3.51,;-7.46,2.74,;-7.46,1.2,;-6.12,.43,;-5.8,-1.07,;-6.43,-2.48,;-5.29,-3.51,;-3.95,-2.74,;-4.27,-1.24,)|
O=C(OC(CC1c2ccccc2-c2cncn12)C1CCCCC1)[C@@H]1CCCN1 |r|
COC(=O)[C@@H](N)CCC(=O)OC(CC1c2ccccc2-c2cncn12)C1CCCCC1 |r|
O[C@@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccccc1 |r|
OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)c1cccc(F)c1O
OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Nc1ccccc1
OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)c1ccc(F)cc1
N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)C(O)CC1c2ccccc2-c2cncn12 |r|
OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)[C@@H]1CCCN1 |r|
OC(CC1c2c(cccc2F)-c2cncn12)[C@@H]1CC[C@@H](CC1)OC(=O)c1ccccc1 |r,wD:16.18,19.25,(-4.03,-2.7,;-2.94,-1.61,;-3.34,-.13,;-4.82,.27,;-5.3,1.74,;-6.84,1.74,;-7.61,3.07,;-6.84,4.4,;-5.3,4.4,;-4.53,3.07,;-2.99,3.07,;-7.32,.27,;-8.56,-.63,;-8.09,-2.1,;-6.55,-2.1,;-6.07,-.63,;-1.45,-2.01,;-.36,-.92,;1.13,-1.32,;1.52,-2.81,;.43,-3.9,;-1.05,-3.5,;3.01,-3.21,;4.1,-2.12,;3.7,-.63,;5.59,-2.52,;5.99,-4.01,;7.47,-4.4,;8.56,-3.32,;8.16,-1.83,;6.68,-1.43,)|
OC(C[C@H]1c2c(cccc2F)-c2cncn12)C1CCC(O)CC1 |r,wD:3.2,(-.47,-2.65,;.3,-1.32,;-.47,.01,;-2.01,.01,;-2.92,1.26,;-4.38,.78,;-5.53,1.81,;-5.21,3.32,;-3.74,3.8,;-2.6,2.77,;-1.11,3.16,;-4.38,-.76,;-5.29,-2,;-4.38,-3.25,;-2.92,-2.77,;-2.92,-1.23,;1.79,-.92,;2.56,-2.26,;4.05,-1.87,;5.53,-2.26,;5.53,-3.8,;4.76,-.92,;3.27,-1.31,)|
OC(CC1c2ccccc2-c2cncn12)C1CN(C1)C(=O)Cc1ccccc1
OC(CC1c2ccccc2-c2cncn12)C1CN(C1)C(=O)Nc1ccccc1
CC(C)(C)OC(=O)N1CC(C1)C(O)CC1c2ccccc2-c2cncn12
OC(CC1c2ccccc2-c2cncn12)C1CNC1
CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](O)C[C@@H]1c2ccccc2-c2cncn12 |r|
CC(C)(C)OC(=O)N1CCC(CC1)[C@H](O)C[C@@H]1c2ccccc2-c2cncn12 |r|
CC(C)(C)OC(=O)N1CCC(CC1)[C@H](O)C[C@H]1c2ccccc2-c2cncn12 |r|
CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](O)C[C@H]1c2ccccc2-c2cncn12 |r|
OC(CC1c2c(cccc2F)-c2cncn12)[C@@H]1CC[C@@H](CC1)OCc1ccccc1 |r,wU:16.18,19.25,(-2.96,-2.01,;-2.56,-.52,;-3.65,.57,;-5.13,.17,;-6.28,1.2,;-7.61,.43,;-8.94,1.2,;-8.94,2.74,;-7.61,3.51,;-6.28,2.74,;-4.94,3.51,;-7.29,-1.07,;-7.92,-2.48,;-6.77,-3.51,;-5.44,-2.74,;-5.76,-1.24,;-1.07,-.12,;.02,-1.21,;1.51,-.81,;1.91,.68,;.82,1.77,;-.67,1.37,;3.39,1.08,;4.48,-.01,;5.97,.38,;7.06,-.7,;8.55,-.31,;8.94,1.18,;7.86,2.27,;6.37,1.87,)|
OC(CC1c2ccccc2-c2cncn12)c1cccnc1
OC(CC1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1 |r,wU:19.22,wD:16.18,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-3.03,;3.63,-3.03,;4.4,-1.7,;5.94,-1.7,;3.63,-.37,;2.09,-.37,)|
O[C@@H](C[C@@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Nc1ccccc1 |r|
O[C@H](C[C@@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Nc1ccccc1 |r|
O[C@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Nc1ccccc1 |r|
O[C@@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Nc1ccccc1 |r|
O[C@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccccc1 |r|
O[C@@H](C[C@@H]1c2c(cccc2F)-c2cncn12)[C@@H]1CC[C@H](O)CC1 |r,wU:3.2,1.0,wD:16.25,19.22,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-.37,;3.63,-.37,;4.4,-1.7,;5.94,-1.7,;3.63,-3.03,;2.09,-3.03,)|
O[C@H](C[C@@H]1c2c(cccc2F)-c2cncn12)[C@@H]1CC[C@H](O)CC1 |r,wU:3.2,wD:1.0,16.25,19.22,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-.37,;3.63,-.37,;4.4,-1.7,;5.94,-1.7,;3.63,-3.03,;2.09,-3.03,)|
O[C@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@@H]1CC[C@H](O)CC1 |r,wD:3.2,1.0,16.25,19.22,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-.37,;3.63,-.37,;4.4,-1.7,;5.94,-1.7,;3.63,-3.03,;2.09,-3.03,)|
O[C@@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@@H]1CC[C@H](O)CC1 |r,wU:1.0,wD:3.2,16.25,19.22,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-.37,;3.63,-.37,;4.4,-1.7,;5.94,-1.7,;3.63,-3.03,;2.09,-3.03,)|
O[C@@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1 |r,wU:1.0,19.22,wD:3.2,16.19,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-3.03,;3.63,-3.03,;4.4,-1.7,;5.94,-1.7,;3.63,-.37,;2.09,-.37,)|
O[C@@H](C[C@@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1 |r,wU:3.2,1.0,19.22,wD:16.19,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-3.03,;3.63,-3.03,;4.4,-1.7,;5.94,-1.7,;3.63,-.37,;2.09,-.37,)|
O[C@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1 |r,wU:19.22,wD:3.2,1.0,16.19,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-3.03,;3.63,-3.03,;4.4,-1.7,;5.94,-1.7,;3.63,-.37,;2.09,-.37,)|
O[C@H](C[C@@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1 |r,wU:3.2,19.22,wD:1.0,16.19,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-3.03,;3.63,-3.03,;4.4,-1.7,;5.94,-1.7,;3.63,-.37,;2.09,-.37,)|
O[C@@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)CC1CCOCC1 |r|
O[C@H](C[C@@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccccc1 |r|
OC(CC1c2ccccc2-c2cncn12)[C@@H]1CC[C@@H](CC1)NC(=O)c1ccccc1 |r,wU:15.17,18.24,(-2.83,-1.79,;-2.43,-.3,;-3.52,.78,;-5.01,.39,;-6.26,1.29,;-6.42,2.82,;-7.82,3.45,;-9.07,2.54,;-8.91,1.01,;-7.5,.39,;-7.03,-1.08,;-7.5,-2.54,;-6.26,-3.45,;-5.01,-2.54,;-5.49,-1.08,;-.95,.09,;.14,-1,;1.63,-.6,;2.03,.89,;.94,1.98,;-.55,1.58,;3.52,1.29,;4.61,.2,;4.21,-1.29,;6.09,.6,;7.18,-.49,;8.67,-.09,;9.07,1.4,;7.98,2.49,;6.49,2.09,)|
O[C@@H](C[C@@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccccc1 |r|
O=C(Nc1ccccc1)OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Nc1ccccc1
O[C@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:3.2,1.0,27.31,(-3.7,-2.01,;-3.3,-.52,;-4.39,.57,;-5.88,.17,;-7.02,1.2,;-7.02,2.74,;-8.36,3.51,;-9.69,2.74,;-9.69,1.2,;-8.36,.43,;-8.03,-1.07,;-8.66,-2.48,;-7.52,-3.51,;-6.18,-2.74,;-6.5,-1.24,;-1.81,-.12,;-.72,-1.21,;.76,-.81,;1.16,.68,;.07,1.77,;-1.41,1.37,;2.65,1.08,;3.05,2.56,;3.74,-.01,;5.23,.38,;5.62,1.87,;7.11,2.27,;8.2,1.18,;9.69,1.58,;7.8,-.31,;6.32,-.7,)|
O[C@@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)NC1CCOCC1 |r|
O[C@@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:1.0,24.27,wD:3.2,27.31,(-3.7,-2.01,;-3.3,-.52,;-4.39,.57,;-5.88,.17,;-7.02,1.2,;-7.02,2.74,;-8.36,3.51,;-9.69,2.74,;-9.69,1.2,;-8.36,.43,;-8.03,-1.07,;-8.66,-2.48,;-7.52,-3.51,;-6.18,-2.74,;-6.5,-1.24,;-1.81,-.12,;-.72,-1.21,;.76,-.81,;1.16,.68,;.07,1.77,;-1.41,1.37,;2.65,1.08,;3.05,2.56,;3.74,-.01,;5.23,.38,;5.62,1.87,;7.11,2.27,;8.2,1.18,;9.69,1.58,;7.8,-.31,;6.32,-.7,)|
OC(CC1c2ccccc2-c2cncn12)[C@H]1CC[C@@H](CC1)OCc1ccccc1 |r,wU:18.24,wD:15.17,(-2.72,-1.55,;-2.32,-.06,;-3.41,1.03,;-4.89,.63,;-6.24,1.38,;-6.59,2.88,;-8.06,3.33,;-9.19,2.28,;-8.84,.78,;-7.37,.33,;-6.72,-1.07,;-7.01,-2.58,;-5.66,-3.33,;-4.54,-2.28,;-5.19,-.88,;-.83,.34,;-.43,-1.15,;1.06,-1.55,;2.15,-.46,;1.75,1.03,;.26,1.43,;3.63,-.86,;4.72,.23,;6.21,-.17,;6.61,-1.65,;8.1,-2.05,;9.19,-.96,;8.79,.52,;7.3,.92,)|
OC(CC1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@@H](CC1)OCc1ccccc1 |r,wU:19.25,wD:16.18,(-2.61,-2.67,;-2.21,-1.19,;-3.3,-.1,;-4.79,-.5,;-5.93,.53,;-7.27,-.24,;-8.6,.53,;-8.6,2.07,;-7.27,2.84,;-5.93,2.07,;-4.6,2.84,;-6.95,-1.74,;-7.57,-3.15,;-6.43,-4.18,;-5.09,-3.41,;-5.41,-1.9,;-.72,-.79,;.36,-1.88,;1.85,-1.48,;2.25,.01,;1.16,1.1,;-.33,.7,;3.74,.41,;4.14,1.9,;5.62,2.29,;6.71,1.2,;8.2,1.6,;8.6,3.09,;7.51,4.18,;6.02,3.78,)|
O[C@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)CC1CCOCC1 |r|
OC(CC1c2ccccc2-c2cncn12)c1ccncc1
OC(CC1c2ccccc2-c2cncn12)c1ccccn1
O[C@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)NC1CCOCC1 |r|
O[C@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)NC1CCCCC1 |r|
OC(CC1c2ccccc2-c2cncn12)[C@H]1CC[C@@H](CC1)NC(=O)c1ccccc1 |r,wU:15.17,wD:18.24,(-3.63,-2.93,;-2.86,-1.59,;-3.63,-.26,;-5.17,-.26,;-6.08,.99,;-5.76,2.49,;-6.9,3.52,;-8.37,3.05,;-8.69,1.54,;-7.54,.51,;-7.54,-1.03,;-8.45,-2.28,;-7.54,-3.52,;-6.08,-3.05,;-6.08,-1.51,;-1.32,-1.59,;-.55,-.26,;.99,-.26,;1.76,-1.59,;.99,-2.93,;-.55,-2.93,;3.3,-1.59,;4.07,-.26,;3.3,1.07,;5.61,-.26,;6.38,-1.59,;7.92,-1.59,;8.69,-.26,;7.92,1.07,;6.38,1.07,)|
OC(CC1c2ccccc2-c2cncn12)[C@H]1CC[C@@H](CC1)OCc1ccccc1 |r,wU:18.24,wD:15.17,(-3.68,-3.03,;-2.91,-1.7,;-3.68,-.37,;-5.22,-.37,;-6.06,.92,;-5.66,2.41,;-6.75,3.5,;-8.24,3.1,;-8.64,1.61,;-7.55,.53,;-7.63,-1.01,;-8.6,-2.21,;-7.76,-3.5,;-6.27,-3.1,;-6.19,-1.56,;-1.37,-1.7,;-.6,-3.03,;.94,-3.03,;1.71,-1.7,;.94,-.37,;-.6,-.37,;3.25,-1.7,;4.02,-.37,;5.56,-.37,;6.33,-1.7,;7.87,-1.7,;8.64,-.37,;7.87,.97,;6.33,.97,)|
O[C@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)NC1CCCC1 |r|
OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(CC1)C(F)(F)F |(-.92,-2.01,;-.52,-.52,;-1.61,.57,;-3.1,.17,;-4.25,1.2,;-5.58,.43,;-6.91,1.2,;-6.91,2.74,;-5.58,3.51,;-4.25,2.74,;-2.91,3.51,;-5.26,-1.07,;-5.89,-2.48,;-4.74,-3.51,;-3.41,-2.74,;-3.73,-1.24,;.96,-.12,;2.05,-1.21,;3.54,-.81,;3.94,.68,;2.85,1.77,;1.36,1.37,;5.43,1.08,;6.91,1.47,;5.03,2.56,;5.82,-.41,)|
OC(CC1c2ccccc2-c2cncn12)C1CCC(CC1)C(F)(F)F |(-.92,-2.01,;-.52,-.52,;-1.61,.57,;-3.1,.17,;-4.25,1.2,;-4.25,2.74,;-5.58,3.51,;-6.91,2.74,;-6.91,1.2,;-5.58,.43,;-5.26,-1.07,;-5.89,-2.48,;-4.74,-3.51,;-3.41,-2.74,;-3.73,-1.24,;.96,-.12,;2.05,-1.21,;3.54,-.81,;3.94,.68,;2.85,1.77,;1.36,1.37,;5.43,1.08,;6.91,1.47,;5.03,2.56,;5.82,-.41,)|
O[C@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccc(F)cc1 |r|
O[C@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Nc1ccc(cc1)C(F)(F)F |r|
Cn1cc(c2c1cccc2)C[C@@H](C(=O)O)N
CN1C(=O)N(C)[C@@]2(Oc3c(O)cc4c(CC[N+]4(C)C)c3C3=C2C(=O)c2c(CCN)c[nH]c2C3=O)C1=O |r,c:22|
O=C(NCCc1c[nH]c2c1C(=O)C=CC2=O)OCc1ccccc1 |c:13|
O=C(NCCc1c[nH]c2c1C(=O)C(=CC2=O)C1(C(=O)c2ccccc2C1=O)c1ccccc1)OCc1ccccc1 |c:13|
Oc1cccc2[nH]ccc12
O=C1C=CC(=O)c2[nH]ccc12 |c:2|
CCCN1C(=O)N(C)C(C(=O)OC)(C1=O)C1=CC(=O)c2[nH]ccc2C1=O |t:16|
CCCN1C(=O)N(C)C(C(=O)OC)(C1=O)C1=CC(=O)c2[nH]cc(CCNC(=O)OCc3ccccc3)c2C1=O |t:16|
CCCn1c(O)c(C2=CC(=O)c3[nH]cc(CCN)c3C2=O)n(C)c1=O |t:7|
NCCc1c[nH]c2c1C(=O)c1c(C2=O)c(-c2ccccc2)c2ccccc2c1-c1ccccc1
CCCN1C(=O)N(C)C(C(=O)OC)(C1=O)C1=CC(=O)c2[nH]cc(CCNC(=O)CCc3ccccc3)c2C1=O |t:16|
C(c1ccccc1)n1cncc1-c1ccccc1
c1nc(c[nH]1)-c1ccccc1
Cn1cnc(c1)-c1ccccc1
C(c1ccccc1)n1cnc(c1)-c1ccccc1
NCCn1cnc(c1)-c1ccccc1
NCCCn1cnc(c1)-c1ccccc1
OCc1nc(c[nH]1)-c1ccccc1
CNCc1nc(c[nH]1)-c1ccccc1
Oc1ccccc1-c1c[nH]cn1
Oc1cccc(O)c1-c1c[nH]cn1
Sc1cccc(c1)-c1c[nH]cn1
Sc1ccc(cc1)-c1c[nH]cn1
Sc1ccccc1-c1c[nH]cn1
CSc1ccccc1-c1c[nH]cn1
N#Cc1cccc(c1)-c1c[nH]cn1
CSc1cccc(c1)-c1c[nH]cn1
Fc1ccc(cc1)-c1c[nH]cn1
Fc1ccccc1-c1c[nH]cn1
CSc1ccc(cc1)-c1c[nH]cn1
Oc1cccc(c1)-c1c[nH]cn1
COc1cccc(OC)c1-c1c[nH]cn1
O=Cc1cccc(c1)-c1c[nH]cn1
Oc1ccc(cc1)-c1c[nH]cn1
Oc1ccc(F)cc1-c1cc[nH]n1
Oc1ccccc1-c1cc[nH]n1
c1ccc(cc1)-c1cccnc1
c1csc(c1)-c1c[nH]cn1
c1ncc(s1)-c1ccccc1
c1n[nH]cc1-c1ccccc1
Fc1cccc(c1)-c1c[nH]cn1
c1nc(c[nH]1)-c1cccnc1
c1coc(c1)-c1cccnc1
ClC1=C(Cl)C(=O)c2ccccc2C1=O |c:1|
COC1=CC(=O)c2ccccc2C1=O |t:2|
O=C1C=CC(=O)c2ccccc12 |c:2|
c1cc2c(c(c1)O)C(=O)C=CC2=O
CC1=CC(=O)c2ccccc2C1=O
O=C1C=Cc2ccccc2C1=O |c:2|
O=C1CC(=O)c2ccccc2C1=O
C1=CC(=O)C=CC1=O
CC1=CC(=O)C=CC1=O
c1ccc(cc1)C2=CC(=O)C=CC2=O
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O |w:18.18,c:20|
O=c1ccoc2ccccc12
CC1=C(C(=O)c2ccccc2C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
Cc1c(O)c2ccccc2c(O)c1SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O |r|
CC1(C)OC2=C(C=C1)C(=O)c1ccccc1C2=O |c:4,6|
COC(=O)C1(C)OC2=C(C=C1)C(=O)c1ccccc1C2=O |c:7,9|
CC1(C)OC2=C(C=C1)C(=O)c1c(O)cccc1C2=O |c:4,6|
COc1cccc2C(=O)C3=C(C=CC(C)(C)O3)C(=O)c12 |c:11,t:9|
CC1(C)OC2=C(C=C1)C(=O)c1cc(O)ccc1C2=O |c:4,6|
COc1ccc2C(=O)C3=C(C=CC(C)(C)O3)C(=O)c2c1 |c:10,t:8|
CC1(C)OC2=C(C=C1)C(=O)c1ccc(O)cc1C2=O |c:4,6|
COc1ccc2C(=O)C3=C(OC(C)(C)C=C3)C(=O)c2c1 |c:14,t:8|
CC1(C)OC2=C(C=C1)C(=O)c1cccc(O)c1C2=O |c:4,6|
COc1cccc2C(=O)C3=C(OC(C)(C)C=C3)C(=O)c12 |c:15,t:9|
CC1(C)OC2=C([C@@H]3O[C@H]13)C(=O)c1ccccc1C2=O |r,c:4|
CC1(C)OC2=C([C@H](NCc3ccccc3)[C@@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
CC1(C)OC2=C([C@H](NCc3ccccc3)[C@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
CC1(C)OC2=C([C@H](NCC=C)[C@@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
CC1(C)OC2=C([C@H](NCC=C)[C@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
CCCCN[C@@H]1[C@H](O)C(C)(C)OC2=C1C(=O)c1ccccc1C2=O |r,c:12|
CCCCN[C@@H]1[C@@H](O)C(C)(C)OC2=C1C(=O)c1ccccc1C2=O |r,c:12|
CC1(C)OC2=C([C@@H]([C@@H]1O)N1CCOCC1)C(=O)c1ccccc1C2=O |r,c:4|
CC1(C)OC2=C([C@@H]([C@H]1O)N1CCOCC1)C(=O)c1ccccc1C2=O |r,c:4|
CO[C@@H]1[C@H](O)C(C)(C)OC2=C1C(=O)c1ccccc1C2=O |r,c:9|
CO[C@@H]1[C@@H](O)C(C)(C)OC2=C1C(=O)c1ccccc1C2=O |r,c:9|
CC1(C)OC2=C([C@H](OCc3ccccc3)[C@@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
CC1(C)OC2=C([C@H](SCc3ccccc3)[C@@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
CC1(C)OC2=C([C@H](SCc3ccccc3)[C@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
CC1(C)CCC2=C(O1)C(=O)c1ccccc1C2=O |c:5|
CC1(C)OC2=C([C@@H](O)[C@@H]1Br)C(=O)c1ccccc1C2=O |r,c:4|
CC1(C)OC2=C([C@@H](O)[C@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
CSC(=S)NCc1c[nH]c2ccccc12
CSC(=S)NCCc1c[nH]c2ccccc12
CSC(=S)NCCc1csc2ccccc12
CSC(=S)NCCCc1c[nH]c2ccccc12
CSC(=S)NC1Cc2ccccc2C1
CSC(=S)NC1C2CC3CC(C2)CC1C3 |TLB:4:5:8.7.14:10.11.12,14:13:9.8.7:11,THB:4:5:9.8.7:11,9:8:5:10.11.12,9:10:5:8.7.14,14:8:11:5.13.12,(2.8,2.34,;1.58,1.4,;.16,1.97,;-.06,3.5,;-1.06,1.02,;-2.48,1.6,;-2.8,.35,;-4.35,.27,;-6.36,1.56,;-7.42,.47,;-5.99,.53,;-3.89,-.74,;-5.45,2.65,;-4.01,3.05,;-6.03,2.85,)|
CSC(=S)NCc1ccc2ccccc2c1
CSC(=S)NCc1ccccc1
CSC(=S)NCCc1ccccc1
CSC(=S)NCCc1ccc(F)cc1
CSC(=S)N(C)CCc1ccccc1
C=CCSC(=S)NCc1c[nH]c2ccccc12
S=C(NCc1c[nH]c2ccccc12)SCc1ccccc1
CCCCCCSC(=S)NCc1c[nH]c2ccccc12
S=C(NCCc1c[nH]c2ccccc12)SCc1ccccc1
S=C(NCCc1c[nH]c2ccccc12)SCc1ccc2ccccc2c1
S=C(NCCc1c[nH]c2ccccc12)SCc1cccnc1
S=C(NCCc1c[nH]c2ccccc12)SCc1ccncc1
CNC(=S)NCc1c[nH]c2ccccc12
CNC(=S)NCCc1c[nH]c2ccccc12
CSC(=O)NCc1c[nH]c2ccccc12
CCC(=S)NCc1c[nH]c2ccccc12
C(c1cscn1)c1c[nH]c2ccccc12
Cc1nc(Cc2c[nH]c3ccccc23)cs1
Nc1oc2cccnc2c1Nc1ccc(F)c(Cl)c1
Nc1oc2cnccc2c1Nc1ccc(F)c(Cl)c1
Nc1oc2cnccc2c1Nc1ccccc1
Nc1oc2cnccc2c1Nc1ccccc1Cl
Nc1oc2cnccc2c1Nc1ccc(F)cc1
Nc1oc2cnccc2c1Nc1ccc(cc1)C(F)(F)F
Nc1oc2cnccc2c1Nc1ccc(Cl)cc1Cl
Nc1oc2cnccc2c1Nc1cccc(Cl)c1
COc1cc(Nc2c(N)oc3cnccc23)ccc1Cl
Nc1oc2cnccc2c1Nc1ccc(F)cc1Br
Nc1oc2cnccc2c1Nc1ccc(cc1)N1CCOCC1
Nc1oc2cnccc2c1Nc1cc(F)c(F)cc1F
Cc1ccc(Nc2c(N)oc3cnccc23)cc1C
Cc1cc(C)cc(Nc2c(N)oc3cnccc23)c1
Nc1oc2cnccc2c1Nc1ccc(Cl)c(Cl)c1
Nc1oc2cnccc2c1Nc1ccc(Br)cc1
Nc1oc2cnccc2c1Nc1ccc(Cl)cc1
Nc1oc2cnccc2c1Nc1ccc(I)c(Cl)c1
CCc1cccc(Nc2c(N)oc3cnccc23)c1
Nc1oc2cnccc2c1Nc1cccc(I)c1
Cc1ccc(Nc2c(N)oc3cnccc23)cc1Br
Nc1oc2cnccc2c1Nc1cc(F)c(F)c(Br)c1
Nc1oc2cnccc2c1Nc1ccc(Cc2ccccc2)cc1
Nc1oc2cnccc2c1Nc1ccccc1N1CCCCC1
COc1ccc(Cl)cc1Nc1c(N)oc2cnccc12
Nc1oc2cnccc2c1Nc1cccc(c1)C(F)(F)F
Cc1cc(Nc2c(N)oc3cnccc23)ccc1F
Nc1oc2cnccc2c1Nc1cccc(C#N)c1F
Nc1oc2cnccc2c1Nc1ccc(Oc2ccccc2)cc1
Nc1oc2cnccc2c1Nc1ccc(F)cc1Cl
Nc1oc2cnccc2c1Nc1ccc(Cl)c(Cl)c1Cl
CC(C)(C)c1cc(Nc2c(N)oc3cnccc23)cc(c1)C(C)(C)C
Cc1ccc(Nc2c(N)oc3cnccc23)cc1Cl
COc1ccc(Nc2c(N)oc3cnccc23)c(OC)c1
Nc1oc2cnccc2c1Nc1ccc2OCOc2c1
Nc1oc2cnccc2c1Nc1ccc(cc1)C#C
CC(C)Oc1cccc(Nc2c(N)oc3cnccc23)c1
COc1cc(Nc2c(N)oc3cnccc23)cc(OC)c1
Nc1oc2cnccc2c1Nc1ccc(cc1)C#N
Cc1ccc(Nc2c(N)oc3cnccc23)cc1
CC(=O)c1ccc(Nc2c(N)oc3cnccc23)cc1
Nc1oc2cnccc2c1Nc1cccc(c1)C1CC1
CC(C)c1cccc(Nc2c(N)oc3cnccc23)c1
Nc1oc2cnccc2c1Nc1ccc(F)c(Cl)c1F
Nc1oc2cnccc2c1Nc1ccc(F)c(Cl)c1Cl
Nc1oc2cnccc2c1Nc1cccc(F)c1
Nc1oc2cnccc2c1Nc1cc(Cl)c(F)c(Cl)c1
Cc1cccc(Nc2c(N)oc3cnccc23)c1
Nc1oc2cnccc2c1Nc1cccnc1
Nc1oc2cnccc2c1Nc1ccc(OC(F)(F)F)cc1
Nc1oc2cnccc2c1Nc1cc(Cl)c(F)cc1F
Nc1oc2cnccc2c1Nc1cncc(Cl)c1
Nc1oc2cnccc2c1Nc1cccc(c1)-c1ccccc1
Cc1ccc(Nc2c(N)oc3cnccc23)c(C)c1
Nc1oc2cnccc2c1Nc1cc(Cl)ccc1Cl
Cc1ncc(CO)c2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
Nc1oc2cncc(Cl)c2c1Nc1ccc(Cl)c(F)c1
Nc1oc2cnccc2c1Nc1ccc(F)c(Br)c1
Nc1oc2cnccc2c1Nc1ccc(F)c(F)c1
Nc1oc2cnccc2c1Nc1ccc(F)c(c1)C(F)(F)F
CC(C)(C)c1cccc(Nc2c(N)oc3cnccc23)c1
Nc1oc2cnccc2c1Nc1ccc(F)c(OC(F)(F)F)c1
Nc1oc2cnccc2c1Nc1cccc2CCCCc12
COc1cc2c(Nc3ccc(F)c(Cl)c3)c(N)oc2cn1
Nc1oc2cnccc2c1Nc1cccc(c1)C(F)F
Cc1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
COc1cncc2oc(N)c(Nc3ccc(F)c(Cl)c3)c12
Nc1oc2cnccc2c1Nc1cccc(c1)C#C
CC(F)(F)c1cc(Nc2c(N)oc3cnccc23)ccc1F
Cc1cc(Nc2c(N)oc3cnccc23)ccc1Cl
Nc1oc2cnccc2c1Nc1ccc2CCCCc2c1
Cc1cnc(C)c2oc(N)c(Nc3ccc(F)c(Cl)c3)c12
CCc1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
CCc1nccc2c(Nc3ccc(F)c(c3)C(F)(F)F)c(N)oc12
Nc1oc2cnccc2c1Nc1cccc(Cc2ccccc2)c1
CCc1nccc2c(Nc3cccc(c3)C(F)(F)F)c(N)oc12
CCCc1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
CCCc1nccc2c(Nc3cccc(c3)C(F)(F)F)c(N)oc12
CCCc1nccc2c(Nc3ccc(F)c(c3)C(F)(F)F)c(N)oc12
Cc1nccc2c(Nc3cccc(c3)C(F)(F)F)c(N)oc12
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccccc1
Nc1oc2c(nccc2c1Nc1cccc(c1)C(F)(F)F)-c1ccccc1
CC(C)c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
Nc1oc2cnccc2c1Nc1cccc(CC2CC2)c1
COc1cc2c(Nc3ccc(F)c(Cl)c3)c(N)oc2c(C)n1
Nc1oc2c(Cc3ccccc3)nccc2c1Nc1ccc(F)c(Cl)c1
Cc1cc(Cl)cc(Nc2c(N)oc3cnccc23)c1
Nc1oc2cnccc2c1Nc1cccc(c1)C1CCCCC1
Nc1oc2cnccc2c1Nc1cccc(CC2CCC2)c1
COc1cccc(c1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccc(Cl)cc1
Nc1oc2c(nccc2c1Nc1cccc(c1)C#C)-c1ccccc1
Cc1nccc2c(Nc3cccc(c3)C#C)c(N)oc12
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1cccnc1
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccccc1Cl
CCc1nccc2c(Nc3cccc(c3)C#C)c(N)oc12
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccncc1
COc1ccccc1-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
Nc1oc2cnccc2c1Nc1cccc(c1)C#N
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1cccc(Cl)c1
COc1ccc(cc1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
CCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)c(N)oc2c(n1)-c1ccccc1
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)C#N
Nc1oc2c(nc(Oc3ccccc3)cc2c1Nc1ccc(F)c(Cl)c1)-c1ccccc1
CCOc1cc2c(Nc3ccc(F)c(Cl)c3)c(N)oc2c(n1)-c1ccccc1
CC(C)(C)Oc1cc2c(Nc3ccc(F)c(Cl)c3)c(N)oc2c(n1)-c1ccccc1
CC(C)Oc1cc2c(Nc3ccc(F)c(Cl)c3)c(N)oc2c(n1)-c1ccccc1
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)C1CCCCC1
CCc1cc2c(Nc3ccc(F)c(Cl)c3)c(N)oc2c(n1)-c1ccccc1
Nc1oc2c(nccc2c1Nc1ccc(F)c(c1)C#C)-c1ccccc1
Nc1oc2c(nccc2c1Nc1ccc(F)c(c1)C#C)-c1ccncc1
Nc1oc2cc(ccc2c1Nc1ccc(F)c(Cl)c1)C#N
Nc1oc2cc(ccc2c1Nc1cccc(c1)C(F)(F)F)C#N
Cc1cccc(Nc2c(N)oc3cc(ccc23)C#N)c1
Nc1oc2cc(ccc2c1Nc1cccc(Br)c1)C#N
Nc1oc2cc(ccc2c1Nc1ccccc1Cl)C#N
Nc1sc2ccccc2c1Nc1ccc(F)c(Cl)c1
Nc1sc2ccccc2c1Nc1ccccc1
Nc1sc2ccccc2c1Nc1cccc(c1)C(F)(F)F
Nc1sc2ccccc2c1Nc1cccc(F)c1
Nc1sc2cnccc2c1Nc1ccc(F)c(Cl)c1
Nc1sc2ccccc2c1Sc1cccc(Cl)c1
Nc1sc2ccc(Br)cc2c1Nc1ccc(F)c(Cl)c1
Nc1sc2ccccc2c1Nc1ccc(Cl)c(c1)C(F)(F)F
[NH]c1sc2ccccc2c1Sc1cccc(Cl)c1 |^1:0|
Nc1sc2ccccc2c1Nc1ccc(Br)c(c1)C(F)(F)F
Nc1sc2ccccc2c1Oc1cccc(Cl)c1
Nc1sc2ccccc2c1Nc1ccc(F)c(c1)C(F)(F)F
[NH]c1sc2ccc(Cl)cc2c1Nc1ccc(F)c(c1)C(F)(F)F |^1:0|
Nc1sc2ccc(Cl)cc2c1Nc1ccccc1
Nc1sc2ccc(Cl)cc2c1Nc1ccc(F)cc1
Nc1sc2ccc(Cl)cc2c1Nc1ccc(F)c(c1)C(F)(F)F
[NH]c1sc2ccc(Cl)cc2c1Nc1cccc(c1)C(F)(F)F |^1:0|
Nc1sc2ccc(cc2c1Nc1ccc(F)c(Cl)c1)-c1ccccc1
CN(c1c([NH])sc2ccccc12)c1ccccc1 |^1:4|
Nc1sc2cc(ccc2c1Nc1ccc(F)c(Cl)c1)C#N
Nc1sc2ccccc2c1Nc1cccc(c1)C#C
Cc1cccc(Nc2c(N)sc3ccccc23)c1C
Fc1ccc(Nc2c(NC(=O)OCc3ccccc3)oc3cnccc23)cc1Cl
Fc1ccc(cc1Cl)N(C(=O)OCc1ccccc1)c1c(NC(=O)OCc2ccccc2)oc2cnccc12
CCOC(=O)Nc1oc2cnccc2c1Nc1ccc(F)c(Cl)c1
CCOC(=O)Nc1oc2cnccc2c1N(C(=O)OCC)c1ccc(F)c(Cl)c1
COC(=O)Nc1oc2cnccc2c1Nc1ccc(F)c(Cl)c1
COC(=O)Nc1oc2cnccc2c1N(C(=O)OC)c1ccc(F)c(Cl)c1
CCOC(=O)Nc1oc2c(nccc2c1N(C(=O)OCC)c1ccc(F)c(Cl)c1)C#N
CCOC(=O)Nc1oc2c(nccc2c1N(C(=O)OCC)c1ccc(F)c(Cl)c1)-c1cccc(c1)C#N
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccc(F)cc1
Cn1cc(cn1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccc(cc1)C#N
NC(=O)c1ccc(cc1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
COC(=O)c1ccc(cc1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccnc(c1)N1CCOCC1
Fc1ccc(Nc2c(NC(=O)OCc3ccccc3)oc3c(nccc23)C#N)cc1Cl
CCOC(=O)Nc1oc2c(I)nccc2c1N(C(=O)OCC)c1ccc(F)c(Cl)c1
CCOC(=O)Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccc(cc1)C(N)=O
Cc1cc(ccn1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
Nc1oc2c(Br)nccc2c1Nc1ccc(F)c(Cl)c1
CCOC(=O)Nc1oc2c(nccc2c1N(C(=O)OCC)c1ccc(F)c(Cl)c1)C#Cc1ccc(cc1)C(N)=O
CCOC(=O)Nc1oc2c(Br)nccc2c1N(C(=O)OCC)c1ccc(F)c(Cl)c1
CCOC(=O)Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccccc1
CCOC(=O)Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1cc(C)nc(C)c1
Cc1cc(cc(C)n1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
CCOC(=O)Nc1oc2c(nccc2c1N(C(=O)OCC)c1ccc(F)c(Cl)c1)-c1cc(C)nc(C)c1
Nc1oc2c(Cl)nccc2c1Nc1ccc(F)c(Cl)c1
COCCNC(=O)c1ccc(cc1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccc(F)c(F)c1
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccc(F)c(F)c1F
COc1cc2c(Nc3ccc(F)c(Cl)c3)c(N)oc2c(Br)n1
COc1cc2c(Nc3ccc(F)c(Cl)c3)c(N)oc2c(n1)-c1ccc(cc1)C#N
COc1cc2c(Nc3ccc(F)c(Cl)c3)c(N)oc2c(n1)-c1ccc(F)cc1
COc1cc2c(Nc3ccc(F)c(Cl)c3)c(N)oc2c(n1)-c1ccc(cc1)C(N)=O
Nc1oc2c(F)nccc2c1Nc1ccc(F)c(Cl)c1
Nc1oc2cnc(Cl)cc2c1Nc1ccc(F)c(Cl)c1
Nc1oc2cc(ccc2c1Nc1ccc(F)c(Cl)c1)[N+]([O-])=O
Nc1oc2c(nc(F)cc2c1Nc1ccc(F)c(Cl)c1)-c1ccncc1
Nc1oc2cnc(F)cc2c1Nc1ccc(F)c(Cl)c1
Nc1oc2c(nccc2c1Nc1ccccc1Cl)C#N
Nc1oc2c(nccc2c1Nc1ccc(F)c(c1)C(F)(F)F)C#N
Nc1oc2c(nccc2c1Nc1ccc(F)c(F)c1)-c1ccncc1
Nc1oc2c(nccc2c1Nc1ccc(F)c(F)c1)C#N
Nc1oc2c(nccc2c1Nc1cc(F)cc(F)c1)C#N
Nc1oc2c(nccc2c1Nc1cc(F)cc(F)c1)-c1ccncc1
Nc1oc2c(nc(F)cc2c1Nc1ccc(F)c(F)c1)-c1ccncc1
Nc1oc2c(F)nccc2c1Nc1ccc(F)c(c1)C(F)(F)F
Nc1oc2c(F)nc(F)cc2c1Nc1ccc(F)c(Cl)c1
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1cc(F)nc(F)c1
Nc1oc2c(nccc2c1Nc1ccc(F)c(c1)C(F)(F)F)-c1ccncc1
CCOC(=O)Nc1oc2c(nccc2c1N(C(=O)OCC)c1ccc(F)c(c1)C(F)(F)F)-c1ccncc1
CCOC(=O)Nc1oc2c(nccc2c1N(C(=O)OCC)c1ccc(F)c(c1)C(F)(F)F)C#N
CNC(=O)c1cc(ccn1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
COc1ccccc1-c1nccc2c(Nc3ccc(F)c(F)c3)c(N)oc12
Nc1oc2c(nccc2c1Nc1ccc(F)c(F)c1)-c1ccccc1Cl
Cc1cc(ccn1)-c1nccc2c(Nc3ccc(F)c(F)c3)c(N)oc12
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1cccc(c1)C(F)(F)F
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)N(c1ccccc1)c1ccccc1
Nc1oc2c(nccc2c1Nc1ccc(F)cc1)-c1ccncc1
Nc1oc2c(nccc2c1Nc1ccccc1Cl)-c1ccncc1
Nc1oc2c(nccc2c1Nc1cccc(c1)C(F)(F)F)-c1ccncc1
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1cccc2ccccc12
Cc1cc(ccn1)-c1nccc2c(Nc3ccc(F)c(c3)C(F)(F)F)c(N)oc12
Cc1cc(ccn1)-c1nccc2c(Nc3ccccc3Cl)c(N)oc12
Cc1cc(ccn1)-c1nccc2c(Nc3cccc(c3)C(F)(F)F)c(N)oc12
Cc1cc(ccn1)-c1nccc2c(Nc3ccc(F)cc3)c(N)oc12
CCOC(=O)Nc1sc2ccccc2c1Nc1ccc(F)c(Cl)c1
Nc1sc2c(Br)cccc2c1Nc1ccc(F)c(Cl)c1
Nc1sc2ccccc2c1Nc1ccc(F)c(F)c1
Nc1sc2c(cccc2c1Nc1ccc(F)c(Cl)c1)-c1ccc(cc1)C#N
Nc1sc2c(cccc2c1Nc1ccc(F)c(Cl)c1)-c1ccncc1
Cc1ccc2sc(N)c(Nc3ccc(F)c(Cl)c3)c2c1
Cc1ccc2sc(N)c(Nc3ccc(F)c(F)c3)c2c1
Nc1oc2cnc(F)cc2c1Nc1ccc(F)c(F)c1
Nc1oc2c(nccc2c1Nc1cccc(Cl)c1)-c1ccncc1
Nc1oc2cnc(F)cc2c1Nc1ccccc1Cl
CNC(=O)c1cc(ccn1)-c1nccc2c(Nc3ccccc3Cl)c(N)oc12
Nc1oc2cnc(F)cc2c1Nc1cccc(Cl)c1
Nc1oc2cnc(F)cc2c1Nc1cccc(c1)C(F)(F)F
Nc1oc2cnc(F)cc2c1Nc1ccc(F)c(c1)C(F)(F)F
CNC(=O)c1cc(ccn1)-c1nccc2c(Nc3ccc(F)c(F)c3)c(N)oc12
CNC(=O)c1cc(ccn1)-c1nccc2c(Nc3ccc(F)cc3)c(N)oc12
CNC(=O)c1cc(ccn1)-c1nccc2c(Nc3cccc(Cl)c3)c(N)oc12
CNC(=O)c1cc(ccn1)-c1nccc2c(Nc3cccc(c3)C(F)(F)F)c(N)oc12
CNC(=O)c1cc(ccn1)-c1nccc2c(Nc3ccc(F)c(c3)C(F)(F)F)c(N)oc12
Nc1oc2cnc(F)cc2c1Nc1ccc(F)cc1
COc1cc(ccn1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
Nc1sc2ccccc2c1Nc1cccc(Br)c1
Nc1sc2ccccc2c1Nc1ccc(F)cc1
CCc1ccccc1Nc1c(N)sc2ccccc12
Nc1sc2c(cccc2c1Nc1ccc(F)c(Cl)c1)-c1ccccc1
Nc1sc2ccccc2c1Nc1cccc(Cl)c1
COc1cccc(Nc2c(N)sc3ccccc23)c1
Nc1sc2ccccc2c1Nc1ccc2OCOc2c1
Cc1cc(Br)ccc1Nc1c(N)sc2ccccc12
Cc1cc(ccn1)-c1nccc2c(Nc3cccc(Cl)c3)c(N)oc12
Cc1cc(ccn1)-c1nccc2c(Nc3ccccc3)c(N)oc12
Cc1cc(ccn1)-c1cccc2c(Nc3ccc(F)c(Cl)c3)c(N)sc12
Cc1cc(ccn1)-c1nc(F)cc2c(Nc3ccc(F)cc3)c(N)oc12
Cc1cc(ccn1)-c1nccc2c(Nc3ccccc3N3CCCCC3)c(N)oc12
Cc1cc(ccn1)-c1nccc2c(Nc3cccc(F)c3)c(N)oc12
Cc1cc(ccn1)-c1nc(F)cc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)N1CCOCC1
Cc1cc(ccn1)-c1nc(F)cc2c(Nc3ccc(F)c(F)c3)c(N)oc12
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccc2ccccc2c1
Cc1cc(ccn1)-c1cccc2c(Nc3cccc(Cl)c3)c(N)sc12
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccnc(c1)C(=O)Nc1ccccc1
CCCCNC(=O)c1cc(ccn1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
CC(C)(C)NC(=O)c1cc(ccn1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
CC(C)CNC(=O)c1cc(ccn1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
CCCNC(=O)c1cc(ccn1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
Cc1cc(ccn1)-c1nc(F)cc2c(Nc3cccc(Cl)c3)c(N)oc12
Cc1cc(ccn1)-c1nccc2c(Nc3ccc(F)cc3F)c(N)oc12
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccnc(c1)C(=O)NC1CCCCC1
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1cc(Cl)cc(Cl)c1
CC(C)(C)c1cc(ccn1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
Nc1oc2c[n+]([O-])ccc2c1Nc1ccc(F)c(Cl)c1
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccc2OCOc2c1
CCc1cc(ccn1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
Cc1cc(ccn1)-c1nccc2c(Nc3cc(Cl)ccc3F)c(N)oc12
Cc1cc(ccn1)-c1nccc2c(Nc3cccc(Cl)c3F)c(N)oc12
Cc1cc(ccn1)-c1cccc2c(Nc3ccccc3)c(N)sc12
Cc1cc(ccn1)-c1cccc2c(Nc3ccc(F)cc3)c(N)sc12
Cc1cc(ccn1)-c1nc(C)cc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccnc(c1)C(F)(F)F
CCOC(=O)Nc1oc2c(nccc2c1N(C(=O)OCC)c1ccc(F)c(Cl)c1)-c1ccnc(C)c1
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccnc(c1)C(=O)N1CCCCC1
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccnc(c1)C(=O)N1CCOCC1
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccnc(c1)C(=O)Nc1ccccn1
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccnc(c1)C(=O)NCCN1CCOCC1
CCCCCNC(=O)c1cc(ccn1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1cc(F)ccc1Cl
Cc1cc(C)cc(c1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1cc(F)cc(F)c1
CCOC(=O)Nc1oc2c(nccc2c1N(C(=O)OCC)c1ccc(F)c(F)c1)-c1ccnc(C)c1
Nc1oc2c(\C=C\c3ccccc3)nccc2c1Nc1ccc(F)c(Cl)c1
O=C1CC(C(=O)N1)c1c[nH]c2ccc(cc12)C#N
O=C1CC(C(=O)N1)c1c[nH]c2cc(ccc12)C#N
Fc1cc2c(c[nH]c2cc1Cl)[C@H]1CC(=O)NC1=O |r|
Cn1cc(cn1)C1(CC1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
CCn1cc(cn1)C1(CC1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Cn1cc(cn1)C1(CC1)NC(=O)c1cc2cc(Br)ccc2[nH]1
C[C@H]1C[C@@]1(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(C)c1 |r|
C[C@H]1C[C@]1(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(C)c1 |r|
C[C@H]1CC1(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(C)c1 |r|
C[C@H]1C[C@@]1(NC(=O)c1cc2cc(Br)ccc2[nH]1)c1cnn(C)c1 |r|
C[C@H]1C[C@]1(NC(=O)c1cc2cc(Br)ccc2[nH]1)c1cnn(C)c1 |r|
C[C@H]1CC1(NC(=O)c1cc2cc(Br)ccc2[nH]1)c1cnn(C)c1 |r|
CCc1nn(C)cc1C1(CC1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
CC(C)c1nn(C)cc1C1(CC1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Clc1ccc2[nH]c(cc2c1)C(=O)NC1(CC1)c1cnn(c1)-c1ccccc1
Cn1cc(cn1)C1(CC1)NC(=O)c1cc2cc(Br)cc(F)c2[nH]1
C[C@H]1CC1(NC(=O)c1cc2c(F)c(Cl)ccc2[nH]1)c1cnn(C)c1 |r|
OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F
OC12CC3CC(C1)CC(C3)(C2)C(=O)CC1c2ccccc2-c2cncn12 |TLB:9:8:6:3.2.4,THB:7:8:2:5.6.4,7:5:2:10.8.9,9:3:10.8.7:6,11:8:6:3.2.4|
OC12CC3CC(C1)CC(C3)(C2)C(=O)CC1c2c(cccc2F)-c2cncn12 |TLB:9:8:6:3.2.4,THB:7:8:2:5.6.4,7:5:2:10.8.9,9:3:10.8.7:6,11:8:6:3.2.4|
O[C@@]12CC3CC(C1)CC(C3)(C2)C(=O)C[C@H]1c2c(cccc2F)-c2cncn12 |r,TLB:9:8:6:3.2.4,THB:7:8:2:5.6.4,7:5:2:10.8.9,9:3:10.8.7:6,11:8:6:3.2.4|
O[C@@]12CC3CC(C1)CC(C3)(C2)C(=O)C[C@@H]1c2c(cccc2F)-c2cncn12 |r,TLB:9:8:6:3.2.4,THB:7:8:2:5.6.4,7:5:2:10.8.9,9:3:10.8.7:6,11:8:6:3.2.4|
O[C@@]12CC3CC(C1)CC(C3)(C2)C(=O)C[C@H]1c2c(cccc2F)-c2cncn12 |r,TLB:9:8:6:3.2.4,11:8:2:5.6.4,THB:9:3:6:10.8.7,7:5:10.8.9:2,7:8:2:5.6.4|
O[C@@]12CC3CC(C1)CC(C3)(C2)C(=O)C[C@@H]1c2c(cccc2F)-c2cncn12 |r,TLB:9:8:6:3.2.4,11:8:2:5.6.4,THB:9:3:6:10.8.7,7:5:10.8.9:2,7:8:2:5.6.4|
Fc1cccc2-c3cncn3C(CC(=O)C34CC5CC(CC(C5)C3)C4)c12 |TLB:24:15:22:19.18.20,THB:23:15:18:21.22.20,23:21:18:16.15.24,24:19:16.15.23:22,13:15:22:19.18.20|
OC(CC1c2c(cccc2F)-c2cncn12)C12CCC(O)(CC1)CC2
OC1C2CC3CC1CC(C3)(C2)C(=O)CC1c2c(cccc2F)-c2cncn12 |TLB:0:1:4.3.5:10.8.7,0:1:10.8.9:3,11:8:3:6.1.5,THB:9:8:1:4.3.5,9:4:1:10.8.7,7:6:10.8.9:3,7:8:3:6.1.5,(-1.15,-3.05,;.21,-3.78,;1.05,-2.31,;1.05,-.91,;2.42,-.22,;1.58,-1.69,;1.58,-3.09,;2.95,-3.78,;3.79,-2.31,;3.79,-.91,;2.42,-3.01,;5.28,-2.7,;6.37,-1.61,;5.68,-4.19,;7.17,-4.58,;8.32,-3.55,;9.65,-4.32,;10.98,-3.55,;10.98,-2.01,;9.65,-1.24,;8.32,-2.01,;6.98,-1.24,;9.33,-5.83,;9.96,-7.24,;8.81,-8.27,;7.48,-7.5,;7.8,-5.99,)|
OC(C[C@@H]1c2c(cccc2F)-c2cncn12)C12CC3CC(CC(O)(C3)C1)C2 |r,TLB:26:16:24:20.21.19,1:16:21:18.24.19,THB:26:20:24:25.16.17,17:18:25.16.26:21,17:16:21:18.24.19|
OC(C[C@H]1c2c(cccc2F)-c2cncn12)C12CC3CC(CC(O)(C3)C1)C2 |r,TLB:26:16:24:20.21.19,1:16:21:18.24.19,THB:26:20:24:25.16.17,17:18:25.16.26:21,17:16:21:18.24.19|
O=C(Nc1cccn2cncc12)c1ccccc1
CC(=O)N1CCN(CC1)c1cc(cn2cncc12)C(F)(F)F
CS(=O)(=O)N1CCN(CC1)c1cc(cn2cncc12)C(F)(F)F
CC(=O)N1CCC(CC1)c1cc(cn2cncc12)C(F)(F)F
CS(=O)(=O)N1CCC(CC1)c1cc(cn2cncc12)C(F)(F)F
CS(=O)(=O)N1CCN(CC1)c1cc(Cl)cn2cncc12
CS(=O)(=O)c1ccc(cc1)-c1cc(cn2cncc12)C(F)(F)F
OCCc1cc(cn2cncc12)C(F)(F)F
CS(=O)(=O)N1CCC(CC1)Nc1cc(cn2cncc12)C(F)(F)F
CS(=O)(=O)N1CCC(CC1)c1cc(Cl)cn2cncc12
CS(=O)(=O)N1CCC(CC1)Nc1cccn2cncc12
CS(=O)(=O)c1ccc(cc1)-c1cc(Cl)cc2cncn12
CS(=O)(=O)N1CCN(CC1)c1cc(Cl)cc2cncn12
CC1(C)CN(CCN1S(C)(=O)=O)c1cc(cn2cncc12)C(F)(F)F
CS(=O)(=O)c1ccc(cc1)-c1cc(cc2cncn12)C(F)(F)F
CC1(C)CN(CCN1S(C)(=O)=O)c1cc(Cl)cn2cncc12
CS(=O)(=O)N1CCN(CC1)c1cc(cc2cncn12)C(F)(F)F
CC(=O)N1CCN(CC1)c1cc(cc2cncn12)C(F)(F)F
OC(=O)N1CCN(CC1)c1cc(cc2cncn12)C(F)(F)F
CC1(C)CN(CCN1C(O)=O)c1cc(Br)cc2cncn12
CC1(C)CN(CCN1S(C)(=O)=O)c1cc(Br)cc2cncn12
CS(=O)(=O)Nc1ccc(cc1)C1CCN(CC1)c1cc(cc2cncn12)C(F)(F)F
CC(=O)Nc1ccc(cc1)C1CCN(CC1)c1cc(cc2cncn12)C(F)(F)F
CNC(=O)c1ccc(cc1)C1CCN(CC1)c1cc(cc2cncn12)C(F)(F)F
CC1(C)CN(CCN1S(C)(=O)=O)c1cc(cc2cncn12)C(F)(F)F
CS(=O)(=O)C1CCN(CC1)c1cc(cc2cncn12)C(F)(F)F
OC1(CCCCC1)C1=CC(=CN2C=NCN12)C(F)(F)F |c:10,13,t:8|
CC(=O)N1CCN(CC1(C)C)c1cc(cn2cncc12)C(F)(F)F
CS(=O)(=O)N1CCC(CC1)Nc1cc(Cl)cc2cncn12
CC(=O)N1CCN(Cc2cc(Cl)cc3cncn23)CC1(C)C
CC1(C)CN(Cc2cc(Cl)cc3cncn23)CCN1S(C)(=O)=O
CC(=O)N1CCN(CC2=CC(Cl)=CN3C=NCN23)CC1(C)C |c:11,14,t:8|
CN1C(=O)C(N2CCN(Cc3cc(cn4cncc34)C(F)(F)F)CC2)C(=O)C1(C)C
Cc1noc(C2CCN(CC2)c2cc(cc3cncn23)C(F)(F)F)c1C(N)=O
CNC(=O)c1c(C)noc1C1CCN(CC1)c1cc(cc2cncn12)C(F)(F)F
Cn1c(N)c(N2CCN(CC2)c2cc(cc3cncn23)C(F)(F)F)c(=O)n(C)c1=O
FC(F)(F)c1cc(N2CCC(CC2)n2cnnn2)n2cncc2c1
CC(C)(C)OC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
c1cc(c(cc1N/C(=N\O)/c2c(non2)SCCNS(=O)(=O)N)Br)F
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1O
CC(=O)NCCOc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
OCCNC(=O)COc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CCOP(=O)(CCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)OCC
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCCP(O)(O)=O
CC(C)OC(=O)OCOP(O)(=O)CCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CC(C)OC(=O)OCOP(=O)(CCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)OCOC(=O)OC(C)C
CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
COC(=O)NCCSc1nsnc1\C(Nc1ccc(F)c(Br)c1)=N\O
CCOC(=O)CCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCCC(O)=O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCC(O)=O
CC(Sc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)C(O)=O
OCC(O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CC(O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
OCCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
OCCCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
COC(=O)C1(CCC1)Sc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
COC(=O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCC1CNC1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SC1CNC1
CC(C)(CO)NC(=O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CC(C)(O)CNC(=O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CC(C)(O)[C@H](O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O |r|
CC(C)(O)[C@@H](O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O |r|
COCCNS(=O)(=O)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Cl)c1)c1nonc1SC[C@H]1CNS(=O)(=O)N1 |r|
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SC[C@H]1CNS(=O)(=O)N1 |r|
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCc1n[nH]c(=O)[nH]1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCc1ccc(=O)[nH]n1
CNc1c(NCCSc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)c(=O)c1=O
CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C#N)=N\O
CC(C)(O)[C@@H](O)CSc1nonc1\C(Nc1ccc(F)c(c1)C#N)=N\O |r|
CC(C)(O)[C@H](O)CSc1nonc1\C(Nc1ccc(F)c(c1)C#N)=N\O |r|
O\N=C(/Nc1ccc(F)c(c1)C#N)c1nonc1SCCNC(=O)C1CC1
CNC(=O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
OC[C@H](O)CNC(=O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O |r|
CN1[C@@H](CSc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)CNC1=O |r|
COC(=O)CNP(=O)(CCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)NCC(=O)OC
CNC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NS(=O)(=O)NCCSc1nsnc1\C(Nc1ccc(F)c(Br)c1)=N\O
COC(=O)[C@@H](N)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O |r|
CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)(F)F)=N\O
OCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)(F)F)=N\O
CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(C)c1)=N\O
CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(OC(F)(F)F)c1)=N\O
OCCCCCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CC(C)C(O)CCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CCNc1c(NCCSc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)c(=O)c1=O
NC(=N)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NC(CCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)C(O)=O
CC(=O)NCCSc1nonc1\C(Nc1cc(Br)c(F)cc1F)=N\O
CC(=O)NCCSc1nonc1\C(Nc1cccc(Br)c1)=N\O
CN\C(NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)=C/[N+]([O-])=O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCC(=O)Nc1ccccc1
CC(=O)NCCSc1nonc1\C(Nc1ccc(F)cc1)=N\O
CCc1cccc(N\C(=N/O)c2nonc2SCCNC(C)=O)c1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SC1CCNC1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCC#N
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCC1(CC1)C#N
CNC(=O)C1(CSc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)CC1
CNC(=O)CCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NS(=O)(=O)c1ccc(CCSc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)cc1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SC1CCNCC1
Nc1c(NCCSc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)c(=O)c1=O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCC(O)c1ccccc1
OCC(O)CNc1c(NCCSc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)c(=O)c1=O
NS(=O)(=O)N1CCC(CC1)Sc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NC(=O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CN1CCOC(CSc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)C1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCCNC(=O)C(F)(F)F
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCC12CC(C1)(C2)C#N
CNC(=O)N1CC(C1)Sc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SC1CCS(=O)(=O)CC1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SC[C@H]1CCC(=O)N1 |r|
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SC[C@@H]1CCC(=O)N1 |r|
N\C(NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)=N/C#N
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCc1cccc(=O)[nH]1
CC(=O)N1CCC(CC1)Sc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCc1cc(cc(=O)[nH]1)C(F)(F)F
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCCNc1c(NCC2CC2)c(=O)c1=O
OCCNc1c(NCCSc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)c(=O)c1=O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCCNc1c(N2CCOCC2)c(=O)c1=O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCc1cc(c(=O)[nH]n1)C(F)(F)F
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCCNc1c(N2CCCCC2)c(=O)c1=O
CC(C)Nc1c(NCCSc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)c(=O)c1=O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCCNc1c(NCc2ccncc2)c(=O)c1=O
NC(=O)CCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CC(C)OC(=O)[C@H](C)NP(=O)(CCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)N[C@@H](C)C(=O)OC(C)C |r|
Cn1c(CSc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)n[nH]c1=O
N\C(NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)=C/[N+]([O-])=O
COCCNP(=O)(CCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)NCCOC
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCCP(=O)(Oc1ccccc1)Oc1ccccc1
Cc1cc(CSc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)[nH]c(=O)c1
CNP(=O)(CCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)NC
CNC(=O)N1CCC(CC1)Sc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CCOC(=O)CNP(=O)(CC)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
COCCNC(=O)CCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
OCCNC(=O)CCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CCOC(=O)CNP(=O)(CCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)NCC(=O)OCC
CC(C)OC(=O)OCOP(=O)(CCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)OCOC(=O)OC(C)C
CCNC(=O)CSc1nonc1C(=N)Nc1ccc(F)c(Br)c1
CN(C)C(=O)CSc1nonc1C(=N)Nc1ccc(F)c(Br)c1
OCCNC(=O)CSc1nonc1C(=N)Nc1ccc(F)c(Br)c1
Fc1ccc(NC(=N)c2nonc2SCC(=O)NC2CC2)cc1Br
Fc1ccc(NC(=N)c2nonc2SCC(=O)NC2CCC2)cc1Br
CC(=O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCCP(=O)(NCc1ccccc1)NCc1ccccc1
CNP(=O)(CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)NC
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCCCP(O)(=O)Oc1ccccc1
CCOC(=O)CNP(=O)(CCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)Oc1ccccc1
COC(=O)CNP(=O)(CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)NCC(=O)OC
CN1[C@H](CSc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)CNC1=O |r|
CN1C[C@@H](CSc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)NC1=O |r|
CN1C[C@H](CSc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)NC1=O |r|
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCC1CNC(=O)O1
N[C@H](CO)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O |r|
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCCN1CCOCC1
CCCCNC(=O)NCCSc1nonc1C(=N)Nc1ccc(F)c(Br)c1
CCOC(=O)NC(=O)NCCSc1nonc1C(=N)Nc1ccc(F)c(Br)c1
Fc1ccc(NC(=N)c2nonc2SCCNC(=O)NC2CCCC2)cc1Br
Fc1ccc(NC(=N)c2nonc2SCCNC(=O)NCC2CCOCC2)cc1Br
Fc1ccc(NC(=N)c2nonc2SCCNC(=O)NCc2ccco2)cc1Br
COCCNC(=O)NCCSc1nonc1C(=N)Nc1ccc(F)c(Br)c1
Cn1c(CSc2nonc2\C(Nc2ccc(F)c(Cl)c2)=N\O)n[nH]c1=O
OC[C@@H]1CCCN1C(=O)CSc1nonc1C(=N)Nc1ccc(F)c(Br)c1 |r|
OC[C@H]1CCCN1C(=O)CSc1nonc1C(=N)Nc1ccc(F)c(Br)c1 |r|
Fc1ccc(NC(=N)c2nonc2SCC(=O)N2CCCC2)cc1Br
FCCNC(=O)CSc1nonc1C(=N)Nc1ccc(F)c(Br)c1
CC(O)CNC(=O)CSc1nonc1C(=N)Nc1ccc(F)c(Br)c1
CN(C)P(=O)(CCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)N(C)C
OC[C@H](O)CSc1nonc1\C(Nc1ccc(F)c(c1)C#N)=N\O |r|
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCCc1n[nH]c(=O)o1
CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)F)=N\O
C[C@@H](O)[C@@H](CO)NC(=O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O |r|
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCC(=O)N[C@H]1C[C@H](O)[C@H](O)C1 |r|
OCC(CO)NC(=O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CN1[C@H](CSc2nonc2\C(Nc2ccc(F)c(c2)C#N)=N\O)CNC1=O |r|
OC[C@@H](O)CSc1nonc1\C(Nc1ccc(F)c(c1)C#N)=N\O |r|
O\N=C(/Nc1ccc(F)c(c1)C#N)c1nonc1SC[C@H]1CCC(=O)N1 |r|
O\N=C(/Nc1ccc(F)c(c1)C#N)c1nonc1SC[C@@H]1CCC(=O)N1 |r|
CN1[C@@H](CSc2nonc2\C(Nc2ccc(F)c(c2)C#N)=N\O)CNC1=O |r|
Cc1nccn1CCSc1nonc1C(=N)Nc1ccc(F)c(Br)c1
Fc1ccc(NC(=N)c2nonc2SCCc2cscn2)cc1Br
Cn1ccnc1CSc1nonc1C(=N)Nc1ccc(F)c(Br)c1
Fc1ccc(NC(=N)c2nonc2SCCn2cncn2)cc1Br
Cc1nc(CSc2nonc2C(=N)Nc2ccc(F)c(Br)c2)no1
Fc1ccc(NC(=N)c2nonc2SCc2ncon2)cc1Br
Fc1ccc(NC(=N)c2nonc2SCc2nccs2)cc1Br
Fc1ccc(NC(=N)c2nonc2SCC2CCCNC2)cc1Br
Fc1ccc(NC(=N)c2nonc2SCc2c[nH]cn2)cc1Br
FCCSc1nonc1C(=N)Nc1ccc(F)c(Br)c1
CC#CCSc1nonc1C(=N)Nc1ccc(F)c(Br)c1
Fc1ccc(NC(=N)c2nonc2SCC2CCOCC2)cc1Br
Fc1ccc(NC(=N)c2nonc2SCCN2CCNCC2)cc1Br
CN1CCN(CCSc2nonc2C(=N)Nc2ccc(F)c(Br)c2)CC1
OC[C@@H](O)CSc1nonc1\C(Nc1ccc(F)c(c1)C(F)(F)F)=N\O |r|
OC[C@H](O)CSc1nonc1\C(Nc1ccc(F)c(c1)C(F)(F)F)=N\O |r|
OC[C@H](O)CSc1nonc1\C(Nc1ccc(F)c(c1)C(F)F)=N\O |r|
OC[C@@H](O)CSc1nonc1\C(Nc1ccc(F)c(c1)C(F)F)=N\O |r|
OC[C@@H](O)CSc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O |r|
OC[C@H](O)CSc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O |r|
CS(=O)(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C#N)=N\O
Fc1ccc(NC(=N)c2nonc2SCCn2ccnc2)cc1Br
CC(=O)N[C@H](CO)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O |r|
CC(CO)(CO)NC(=O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
OC[C@@H](O)CNC(=O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O |r|
CC(O)C(CO)NC(=O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCC(=O)N[C@@H]1C[C@H](O)[C@H](O)C1 |r|
O\N=C(/Nc1ccc(F)c(c1)C#N)c1nonc1SCCNS(=O)(=O)C1CC1
C[C@H](CSc1nonc1\C(Nc1ccc(F)c(c1)C#N)=N\O)NC(C)=O |r|
C[C@@H](CSc1nonc1\C(Nc1ccc(F)c(c1)C#N)=N\O)NC(C)=O |r|
NS(=O)(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C#N)=N\O
OCC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C#N)=N\O
CS(=O)(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)F)=N\O
CS(=O)(=O)NCCSc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
CNC(=O)CSc1nonc1\C(Nc1ccc(F)c(c1)C#N)=N\O
O\N=C(/Nc1ccc(F)c(c1)C#N)c1nonc1SCC(=O)NC1COC1
O\N=C(/Nc1ccc(F)c(c1)C#N)c1nonc1SCCNC(=O)[C@H]1CC1(F)F |r|
O\N=C(/Nc1ccc(F)c(c1)C#N)c1nonc1SCCNC(=O)[C@@H]1CC1(F)F |r|
CC(C)(O)C(O)CSc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCc1nnc[nH]1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCC(=O)N1CCOCC1
NS(=O)(=O)N[C@H](CO)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O |r|
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCC(=O)N1C[C@H](O)[C@H](O)C1 |r|
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCC(=O)N1CC[C@H](O)[C@@H](O)C1 |r|
C[C@H](CO)NC(=O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O |r|
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCC(=O)N[C@H]1CCOC[C@H]1O |r|
CNS(=O)(=O)NC(=O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
C[C@H](O)CNC(=O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O |r|
C[C@@H](O)CNC(=O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O |r|
OCC1(CC1)NC(=O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CC(C)(Sc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)C(=O)NC[C@@H](O)CO |r|
C[C@@H](CO)NC(=O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O |r|
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1SCC(=O)NCC(O)CN1CCOCC1
CC(C)(NC(=O)CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)C(O)CO
CN(C)CCSc1nsnc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nsnc1SCCNc1c(NCC2CC2)c(=O)c1=O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nsnc1SCCNc1c(NC2CC2)c(=O)c1=O
NS(=O)(=O)NCCOc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NCCOc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CS(=O)(=O)NCCOc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O=C1c2ccccc2-n2c1nc1ccccc1c2=O
O=C1c2ccccc2-n2c1nc1ncccc1c2=O
O=C1c2ccccc2-n2c1nc1cnccc1c2=O
Cc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Cc1ccc-2c(c1)C(=O)c1nc3ncccc3c(=O)n-21
Fc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Fc1ccc-2c(c1)C(=O)c1nc3ncccc3c(=O)n-21
Fc1ccc-2c(c1)C(=O)c1nc3cnccc3c(=O)n-21
[O-][N+](=O)c1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
[O-][N+](=O)c1ccc-2c(c1)C(=O)c1nc3ncccc3c(=O)n-21
FC(F)(F)Oc1ccc-2c(c1)C(=O)c1nc3ncccc3c(=O)n-21
Clc1ccc-2c(c1)C(=O)c1nc3ncccc3c(=O)n-21
COc1ccc-2c(c1)C(=O)c1nc3ncccc3c(=O)n-21
COc1ccc-2c(c1)C(=O)c1nc3cnccc3c(=O)n-21
Clc1ccc-2c(c1)C(=O)c1nc3cnccc3c(=O)n-21
ON=C1c2ccccc2-n2c1nc1ncccc1c2=O |w:1.0|
ON=C1c2cc(Cl)ccc2-n2c1nc1ncccc1c2=O |w:1.0|
Cc1ccc-2c(c1)C(=NO)c1nc3ncccc3c(=O)n-21 |w:8.9|
COc1ccc-2c(c1)C(=NO)c1nc3ncccc3c(=O)n-21 |w:9.10|
Nc1nonc1C(NO)=Nc1ccc(F)c(Cl)c1 |w:9.10|
CN(C)CCON=C1c2ccccc2-n2c1nc1ncccc1c2=O |w:6.5|
CN(C)CCON=C1c2cc(ccc2-n2c1nc1ncccc1c2=O)[N+]([O-])=O |w:6.5|
CN(C)CCON=C1c2cc(Cl)ccc2-n2c1nc1ncccc1c2=O |w:6.5|
CN(C)CCON=C1c2cc(F)ccc2-n2c1nc1ncccc1c2=O |w:6.5|
CN(C)CCCON=C1c2cc(Cl)ccc2-n2c1nc1ncccc1c2=O |w:7.6|
OCCON=C1c2cc(ccc2-n2c1nc1ncccc1c2=O)[N+]([O-])=O |w:4.3|
CN(C)C(=S)NN=C1c2cc(ccc2-n2c1nc1ncccc1c2=O)[N+]([O-])=O |w:6.5|
NC(=N)NN=C1c2cc(ccc2-n2c1nc1ncccc1c2=O)[N+]([O-])=O |w:4.3|
OS(=O)(=O)ON=C1c2cc(ccc2-n2c1nc1ncccc1c2=O)[N+]([O-])=O |w:5.4|
CON=C1c2cc(ccc2-n2c1nc1ncccc1c2=O)[N+]([O-])=O |w:2.1|
CCON=C1c2cc(ccc2-n2c1nc1ncccc1c2=O)[N+]([O-])=O |w:3.2|
[O-][N+](=O)c1ccc-2c(c1)C(=NOCC=C)c1nc3ncccc3c(=O)n-21 |w:10.11|
OC(=O)CON=C1c2cc(ccc2-n2c1nc1ncccc1c2=O)[N+]([O-])=O |w:5.4|
NC(=S)NN=C1c2cc(ccc2-n2c1nc1ncccc1c2=O)[N+]([O-])=O |w:4.3|
COc1ccc-2c(c1)C(=NNC(=S)N(C)C)c1nc3ncccc3c(=O)n-21 |w:9.10|
O=C1c2cnccc2-n2c1nc1ncccc1c2=O
Cc1nc2onc(N)c2c(C)c1Br
Nc1noc2ncccc12
Cc1nc2onc(N)c2c(C)c1Cl
Cc1cc(C)c2c(N)noc2n1
Cc1nc2onc(N)c2c(C)c1C
Nc1noc2ncc(Br)cc12
Cc1ccc2c(N)noc2n1
Nc1noc2ncc(Cl)cc12
Nc1noc2nc3ccccc3cc12
Nc1noc2nc3CCCCc3cc12
Nc1noc2nc(Cl)ccc12
Nc1noc2ncncc12
Nc1noc2nccc(-c3ccccc3)c12
Nc1noc2ncc(F)cc12
Nc1noc2nc(ccc12)-c1ccccc1
Nc1noc2ncc(I)cc12
Nc1noc2ccncc12
CN(C)c1ccc2c(N)noc2n1
CN(C)c1ccnc2onc(N)c12
CNc1noc2nc(C)c(Cl)c(C)c12
Nc1noc2ncc(cc12)-c1ccccc1O
Nc1noc2ncc(cc12)-c1ccc(F)cc1
COc1c(F)cc(F)cc1-c1cnc2onc(N)c2c1
Cc1cc(Cl)nc2onc(N)c12
Nc1noc2nc(N)ccc12
Cc1cnc2onc(N)c2c1
Cc1cc2c(N)noc2nc1C
Cc1cc(c2c(N)noc2n1)C(F)(F)F
Nc1noc2nc(ccc12)C(F)(F)F
CC(C)c1ccc2c(N)noc2n1
Nc1noc2ncc(cc12)[N+]([O-])=O
CCOC(=O)c1cc2c(N)noc2nc1C(F)(F)F
COc1ccnc2onc(N)c12
Cc1nc2onc(N)c2c(C)c1OC(F)F
CCOC(=O)c1cc2c(N)noc2nc1C
CCOC(=O)c1cc2c(N)noc2nc1C(F)F
Nc1noc2nc(N3CCOCC3)c(F)cc12
Nc1noc2nc(NC3CC3)c(F)cc12
CN(C)c1nc2onc(N)c2cc1F
Nc1noc2nc(ccc12)-c1ccco1
Nc1noc2nc3CCCc3cc12
Nc1noc2nc3CCCCCc3cc12
CC1(C)CCc2nc3onc(N)c3cc2C1
Nc1noc2nc3CCOCc3cc12
CSc1ncc2c(N)noc2n1
Cc1ncc2c(N)noc2n1
CSc1nc(nc2onc(N)c12)-c1ccccc1
Nc1noc2nc(Cl)c(F)cc12
Nc1noc2nc(Cl)c(Cl)cc12
Nc1noc2nc(Cl)cc(c12)C(F)(F)F
COCC#Cc1cnc2onc(N)c2c1
COc1ccc(cc1)-c1ccc2c(N)noc2n1
Nc1noc2nc(ccc12)-c1ccc(F)cc1
Nc1noc2nc(ccc12)-c1ccc(Cl)cc1Cl
Nc1noc2nc(ccc12)-c1ccc(F)cc1F
Nc1noc2nc(ccc12)-c1cccs1
Cn1nccc1-c1ccc2c(N)noc2n1
CN(C)CCCOc1ccc2c(N)noc2n1
CN(C)CCOc1ccc2c(N)noc2n1
Nc1noc2nc(OCCN3CCOCC3)ccc12
CSc1ccc2c(N)noc2n1
CS(=O)(=O)c1ccc2c(N)noc2n1
Nc1noc2nc(ccc12)C(O)=O
COC(=O)c1ccc2cnoc2n1
Nc1noc2nc(Oc3ccccc3)ccc12
Nc1noc2nc(Oc3ccccc3Cl)ccc12
Nc1noc2nc(Oc3cccc(Cl)c3)ccc12
Nc1noc2nc(Oc3ccc(Cl)cc3)ccc12
Nc1noc2nc(Oc3ccccc3OC(F)(F)F)ccc12
Nc1noc2nc(Oc3cccc(OC(F)(F)F)c3)ccc12
Nc1noc2nc(Oc3ccc(OC(F)(F)F)cc3)ccc12
COc1ccccc1Oc1ccc2c(N)noc2n1
COc1cccc(Oc2ccc3c(N)noc3n2)c1
COc1ccc(Oc2ccc3c(N)noc3n2)cc1
Nc1noc2nc(Oc3cccc(c3)C(F)(F)F)ccc12
Nc1noc2nc(Nc3ccccc3)ccc12
COc1cccc(Nc2ccc3c(N)noc3n2)c1
COc1ccc(Nc2ccc3c(N)noc3n2)cc1
Fc1cccc2-c3cncn3C(C3CCN(CC3)c3ccccc3)c12
Fc1cccc(c1)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12
COc1ccc(cc1)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12
Fc1cccc2-c3cncn3C(C3CCN(CC3)c3ccc(cc3)C#N)c12
Cn1cc(cn1)-c1cccc(c1)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12
Cn1cc(cn1)-c1ccc(cc1)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12
Fc1cccc2-c3cncn3C(C3CCN(CC3)c3ccc(cc3)C(=O)NC3CCOCC3)c12
CC(=O)Nc1cccc(c1)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12
Fc1cccc2-c3cncn3C(C3CCN(CC3)c3ncc(cn3)-c3cnn(c3)C3CCOCC3)c12
Fc1cccc2-c3cncn3C(C3CCN(CC3)C(=O)Nc3ccc(cc3)C#N)c12
Fc1cccc2-c3cncn3C(C3CCN(CC3)c3ncc(Br)s3)c12
Cn1cc(cn1)-c1ccc(cc1)N1CCC(CC1)[C@H]1c2c(cccc2F)-c2cncn12 |r|
CC1(C)OC[C@H](Cn2cc(cn2)-c2ccc(cc2)N2CCC(CC2)C2c3c(cccc3F)-c3cncn23)O1 |r|
CC1(C)OCC(Cn2cc(cn2)-c2ccc(cc2)N2CCC(CC2)C2c3c(cccc3F)-c3cncn23)O1
CS(=O)(=O)N1CCC(CC1)n1cc(cn1)-c1ccc(cc1)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12
Fc1cccc2-c3cncn3C(C3CCN(CC3)c3ccc(cc3)-c3cnn(c3)[C@@H]3CCOC3)c12 |r|
COc1cccc(NC(=O)[C@H]2CCC(CC2)[C@@H]2c3c(cccc3F)-c3cncn23)c1 |r,wU:16.16,wD:10.9,(8.98,-19.03,;7.44,-19.03,;6.67,-17.69,;7.44,-16.36,;6.67,-15.02,;5.13,-15.02,;4.36,-16.36,;2.82,-16.36,;2.05,-15.02,;2.82,-13.69,;.51,-15.02,;-.26,-13.69,;-1.8,-13.69,;-2.57,-15.02,;-1.8,-16.36,;-.26,-16.36,;-4.11,-15.02,;-5.02,-13.78,;-6.48,-14.25,;-7.63,-13.22,;-7.31,-11.72,;-5.84,-11.24,;-4.7,-12.27,;-3.23,-11.8,;-6.48,-15.79,;-7.39,-17.04,;-6.48,-18.29,;-5.02,-17.81,;-5.02,-16.27,;5.13,-17.69,)|
Cn1cc(cn1)-c1ccc(N2CCC(CC2)C2c3c(cccc3F)-c3cncn23)c(F)c1
Cn1cc(cn1)-c1ccc(cc1F)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12
COc1ccc(CNc2cc(ccn2)-c2nnc(s2)N2CCC(CC2)C2c3c(cccc3F)-c3cncn23)cc1
CS(=O)(=O)N1CCCC(C1)Oc1cnc(nc1)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12
Fc1cccc2-c3cncn3C(C3CCN(CC3)c3ccc(OC4CCOC4)cc3)c12
CS(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12
OCCn1cc(cn1)-c1ccc(cc1)N1CCC(CC1)[C@H]1c2c(cccc2F)-c2cncn12 |r|
COCCn1cc(cn1)-c1ccc(cc1)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12
CC(=O)NCCn1cc(cn1)-c1ccc(cc1)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12
Fc1cccc2-c3cncn3C(C3CCN(CC3)c3ccc(cc3)-c3cnn(c3)C3CCOC3)c12
Fc1cccc2-c3cncn3C(C3CCN(CC3)c3ccc(C#N)c(F)c3)c12
Fc1cccc2-c3cncn3C(C3CCN(CC3)c3ccc(F)c(F)c3)c12
Fc1cccc2-c3cncn3C(C3CCN(CC3)c3ccc(Cl)cn3)c12
C[S@](=N)(=O)CCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
C[S@@](=N)(=O)CCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1N[C@H]1C[S@@](=N)(=O)C1 |r|
O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1N[C@H]1C[S@](=N)(=O)C1 |r|
O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1NC[C@H]1C[S@@](=N)(=O)C1 |r|
O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1NC[C@H]1C[S@](=N)(=O)C1 |r|
OCC[S@](=N)(=O)CCNc1nonc1C(N[C@H]1Cc2ccc(F)cc12)=NO |w:25.28|
CS(=N)(=O)NCCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CS(=N)(=O)CCNC(=O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CS(=O)(\C=C\Nc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O)=NC#N |r|
CS(=O)(CCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O)=NC(N)=O |r|
CS(=O)(CCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O)=NC#N |r|
CS(=N)(=O)N1CCC(CC1)Nc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1NCC1CCS1(=N)=O |r|
CS(=N)(=O)CCCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CS(=N)(=O)CC(O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
C[S@@](=N)(=O)CCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
C[S@](=N)(=O)CCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CS(=N)(=O)CCCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CN=S(C)(=O)CCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CS(=N)(=O)N1CC(O)(CNc2nonc2\C(N[C@H]2Cc3ccc(F)cc23)=N\O)C1 |r|
CS(=N)(=O)CCCCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CN=S(C)(=O)CCNC(=O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CS(=N)(=O)N1CC(C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CS(=N)(=O)N1CCC(C1)Nc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CS(=N)(=O)CCOCCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CS(=N)(=O)CC(=O)N1CC(C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CS(=N)(=O)NCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CS(=N)(=O)NCCCCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CN(CCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N/O)S(C)(=N)=O |r|
CS(=N)(=O)NCC(O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N/O |r|
CS(=O)(CCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N/O)=NCCO |r|
CS(=N)(=O)N1CCO[C@@H](CNc2nonc2\C(N[C@H]2Cc3ccc(F)cc23)=N/O)C1 |r|
CS(=N)(=O)N[C@H]1C[C@H](C1)Oc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O |r,wU:7.9,5.4,wD:17.18,(9.22,-.62,;7.88,-1.39,;8.65,-2.72,;7.11,-.05,;6.55,-2.16,;5.22,-1.39,;3.73,-1.79,;3.33,-.3,;4.82,.1,;2,.47,;.79,-.25,;.87,-1.79,;-.57,-2.34,;-1.54,-1.15,;-.7,.15,;-1.1,1.63,;-2.59,2.03,;-3.68,.94,;-3.68,-.6,;-5.22,-.6,;-6.55,-1.37,;-7.88,-.6,;-7.88,.94,;-9.22,1.71,;-6.55,1.71,;-5.22,.94,;-.01,2.72,;1.48,2.32,)|
CS(=N)(=O)N1CCO[C@@H](CNc2nonc2\C(N[C@@H]2Cc3ccc(F)cc23)=N/O)C1 |r|
NS(=N)(=O)CCCNc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O |r|
CN=S(C)(=O)NCCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N/O |r|
O\N=C(\N[C@@H]1Cc2ccc(F)cc12)c1nonc1NCCS(=N)(=O)C1CC1 |r|
CS(=N)(=O)N1CC(CNc2nonc2\C(N[C@@H]2Cc3ccc(F)cc23)=N/O)C1 |r|
C[S@](=N)(=O)C1C[C@@H](C1)Nc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O |r,wU:1.0,wD:16.17,6.8,(8.59,-2.62,;7.25,-1.85,;6.48,-3.18,;8.02,-.51,;5.92,-1.08,;4.43,-1.48,;4.03,.01,;5.52,.41,;2.7,.78,;1.37,.01,;1.29,-1.53,;-.2,-1.92,;-1.04,-.63,;-.07,.56,;-.47,2.05,;-1.96,2.45,;-3.05,1.36,;-3.05,-.18,;-4.59,-.18,;-5.92,-.95,;-7.25,-.18,;-7.25,1.36,;-8.59,2.13,;-5.92,2.13,;-4.59,1.36,;.62,3.14,;2.16,3.18,)|
CS(=N)(=O)C1CC2(CC(C2)Nc2nonc2\C(N[C@@H]2Cc3ccc(F)cc23)=N/O)C1 |r,wD:18.19,(9.53,-3.16,;8.2,-2.39,;7.43,-3.73,;8.97,-1.06,;6.86,-1.62,;5.38,-2.02,;4.98,-.53,;3.49,-.93,;3.09,.56,;4.58,.95,;1.76,1.33,;.42,.56,;.34,-.98,;-1.14,-1.38,;-1.98,-.09,;-1.01,1.11,;-1.41,2.6,;-2.9,2.99,;-3.99,1.91,;-3.99,.37,;-5.53,.37,;-6.86,-.4,;-8.2,.37,;-8.2,1.91,;-9.53,2.68,;-6.86,2.68,;-5.53,1.91,;-.32,3.68,;1.22,3.73,;6.46,-.13,)|
CS(=N)(=O)N1CC2(CC(C2)Nc2nonc2\C(N[C@@H]2Cc3ccc(F)cc23)=N/O)C1 |r|
CS(=N)(=O)CCC(O)CNc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O |r|
CS(=N)(=O)CC12CC(C1)(C2)Nc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O |r|
CC(O)CS(=N)(=O)CCNc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O |r|
CS(=N)(=O)CCNc1nonc1\C(N[C@@H]1Cc2cccc(F)c12)=N/O |r|
CON=[S@](C)(=O)CCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CON=[S@@](C)(=O)CCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
NS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1 |r,wU:6.5,wD:9.12,(-11.57,9.09,;-9.93,9.09,;-9.93,10.73,;-9.93,7.45,;-8.29,9.09,;-7.08,10.51,;-5.44,10.51,;-4.62,11.93,;-2.97,11.93,;-2.15,10.51,;-2.97,9.09,;-4.62,9.09,;-.51,10.51,;-.04,9.05,;-.94,7.8,;-.04,6.56,;1.43,7.03,;1.43,8.57,;2.67,9.48,;2.67,11.02,;4.14,11.49,;5.04,10.25,;6.58,10.25,;4.14,9,;4.61,7.54,;3.58,6.39,;4.06,4.93,;5.57,4.61,;6.04,3.14,;6.6,5.75,;8.2,5.41,;6.12,7.22,)|
NS(=O)(=O)NCC[C@H]1CC[C@@H](CC1)Nc1nonc1C(Nc1ccc(F)c(Br)c1)=NO |r,w:29.32,wU:7.6,wD:10.13,(8.77,3.12,;8.15,1.71,;6.74,2.34,;9.55,1.09,;7.52,.31,;5.99,.15,;5.08,1.4,;3.55,1.24,;2.92,-.17,;1.39,-.33,;.49,.92,;1.12,2.32,;2.65,2.48,;-1.04,.76,;-1.95,2.01,;-1.47,3.47,;-2.71,4.38,;-3.96,3.47,;-3.49,2.01,;-4.39,.76,;-5.93,.93,;-6.83,-.32,;-8.36,-.15,;-9.27,-1.4,;-8.65,-2.81,;-9.55,-4.05,;-7.11,-2.97,;-6.49,-4.38,;-6.21,-1.73,;-3.77,-.64,;-3.05,-2.05,)|
NS(=O)(=O)N[C@H]1CC[C@H](CNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)CC1 |r,w:26.28,wU:5.4,wD:8.8,(9.52,-.66,;8.19,.11,;8.96,1.44,;7.42,-1.23,;6.86,.88,;5.52,.11,;5.52,-1.43,;4.19,-2.2,;2.86,-1.43,;1.52,-2.2,;.19,-1.43,;.19,.11,;1.43,1.01,;.96,2.48,;-.58,2.48,;-1.06,1.01,;-2.52,.54,;-3.67,1.57,;-5.13,1.09,;-6.28,2.12,;-7.74,1.65,;-8.06,.14,;-9.52,-.34,;-6.92,-.89,;-7.24,-2.4,;-5.45,-.42,;-2.84,-.97,;-3.16,-2.48,;2.86,.11,;4.19,.88,)|
NS(=O)(=O)NC1CCC(CCNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)CC1 |w:27.29,(8.05,-4.55,;7.28,-3.22,;8.61,-2.45,;5.94,-3.99,;6.51,-1.89,;4.97,-1.89,;4.2,-3.22,;2.66,-3.22,;1.89,-1.89,;.35,-1.89,;-.42,-.55,;.35,.78,;-.42,2.12,;.2,3.52,;-.94,4.55,;-2.27,3.78,;-1.95,2.28,;-2.98,1.13,;-4.49,1.45,;-5.52,.31,;-7.03,.63,;-8.06,-.52,;-7.58,-1.98,;-8.61,-3.13,;-6.08,-2.3,;-5.6,-3.77,;-5.04,-1.16,;-2.51,-.33,;-2.03,-1.8,;2.66,-.55,;4.2,-.55,)|
NS(=O)(=O)NCC1CCC(CNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)CC1 |w:27.29,(8.34,-.62,;8.03,.89,;9.53,1.21,;6.52,.57,;7.71,2.4,;6.25,2.88,;5.1,1.85,;5.42,.34,;4.27,-.69,;2.81,-.21,;1.66,-1.24,;.2,-.76,;-.12,.75,;.91,1.89,;.15,3.23,;-1.36,2.91,;-1.53,1.38,;-2.86,.61,;-4.19,1.39,;-5.53,.62,;-6.86,1.39,;-8.2,.63,;-8.2,-.91,;-9.53,-1.68,;-6.87,-1.69,;-6.87,-3.23,;-5.53,-.92,;-2.86,-.93,;-2.87,-2.47,;2.49,1.3,;3.64,2.33,)|
NS(=O)(=O)NCC1CCC(CCNc2nonc2C(=N)Nc2ccc(F)c(Br)c2)CC1 |(-7.25,-7.25,;-8.28,-6.11,;-9.43,-7.14,;-9.31,-4.96,;-7.14,-5.08,;-7.46,-3.57,;-6.31,-2.54,;-4.85,-3.02,;-3.7,-1.99,;-4.02,-.48,;-2.88,.55,;-1.42,.07,;-.27,1.1,;1.19,.63,;1.67,-.84,;3.21,-.84,;3.68,.63,;2.44,1.53,;2.44,3.07,;1.11,3.84,;3.77,3.84,;5.11,3.07,;5.11,1.53,;6.44,.76,;7.77,1.53,;9.11,.76,;7.77,3.07,;9.11,3.84,;6.44,3.84,;-5.49,-0,;-6.63,-1.03,)|
NS(=O)(=O)NCCC1CCC(CNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)CC1 |w:28.30,(10.21,.49,;8.96,1.4,;9.87,2.64,;8.06,.15,;7.72,2.3,;6.31,1.67,;6.15,.14,;4.74,-.48,;3.5,.42,;2.09,-.2,;1.93,-1.74,;.52,-2.36,;-.72,-1.46,;-.56,.07,;.77,.84,;.45,2.35,;-1.08,2.51,;-1.71,1.1,;-3.17,.63,;-4.26,1.72,;-5.75,1.32,;-6.84,2.41,;-8.32,2.01,;-8.72,.52,;-10.21,.12,;-7.63,-.57,;-8.03,-2.05,;-6.15,-.17,;-3.53,-.87,;-4.08,-2.31,;3.18,-2.64,;4.58,-2.01,)|
NS(=O)(=O)NCCC1CCC(CCNc2nonc2C(=N)Nc2ccc(F)c(Br)c2)CC1 |(-9.71,-7.7,;-8.21,-7.38,;-7.89,-8.89,;-6.7,-7.06,;-8.53,-5.88,;-7.38,-4.85,;-7.7,-3.34,;-6.56,-2.31,;-5.09,-2.79,;-3.95,-1.76,;-4.27,-.25,;-3.12,.78,;-1.66,.31,;-.52,1.34,;.95,.86,;1.43,-.6,;2.97,-.6,;3.44,.86,;2.2,1.76,;2.2,3.3,;.86,4.07,;3.53,4.07,;4.86,3.3,;4.86,1.76,;6.2,.99,;7.53,1.76,;8.86,.99,;7.53,3.3,;8.86,4.07,;6.2,4.07,;-5.73,.23,;-6.88,-.8,)|
NS(=O)(=O)NCC1CCCC(C1)Nc1nonc1C(Nc1ccc(F)c(Br)c1)=NO |w:28.31|
NS(=O)(=O)NCCC1CCCC(C1)Nc1nonc1C(Nc1ccc(F)c(Br)c1)=NO |w:29.32|
NS(=O)(=O)NC1CCCC(CNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)C1 |w:27.29|
NS(=O)(=O)NC1CCCC(CCNc2nonc2C(=N)Nc2ccc(F)c(Br)c2)C1
NS(=O)(=O)NCC1CCCC(CNc2nonc2C(=N)Nc2ccc(F)c(Br)c2)C1
NS(=O)(=O)NCC1CCCC(CCNc2nonc2C(=N)Nc2ccc(F)c(Br)c2)C1
NS(=O)(=O)NCCC1CCCC(CNc2nonc2C(=N)Nc2ccc(F)c(Br)c2)C1
NS(=O)(=O)NCCC1CCCC(CCNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)C1 |w:30.32|
NS(=O)(=O)NCCC1CCC(C1)Nc1nonc1C(=N)Nc1ccc(F)c(Br)c1
NS(=O)(=O)NCC1CCC(C1)Nc1nonc1C(=N)Nc1ccc(F)c(Br)c1
NS(=O)(=O)NC1CCC(CNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)C1 |w:26.28|
Nc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
Nc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N\O |r|
Nc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
Nc1nonc1\C(N[C@@H]1Cc2ccccc12)=N\O |r|
CC1(Cc2ccccc12)N\C(=N/O)c1nonc1N
C[C@]1(Cc2ccccc12)N\C(=N/O)c1nonc1N |r|
Nc1nonc1\C(N[C@H]1CCc2ccccc12)=N\O |r|
Nc1nonc1\C(N[C@@H]1CCc2ccccc12)=N\O |r|
Nc1nonc1\C(NC1C(F)c2ccccc12)=N\O
Nc1nonc1\C(NC1c2ccccc2C1(F)F)=N\O
Nc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
Nc1nonc1\C(NC1CCCc2ccccc12)=N\O
Nc1nonc1\C(N[C@H]1[C@H](F)Cc2ccccc12)=N\O |r|
Nc1nonc1\C(NC1CCc2cc(Cl)ccc12)=N\O
Cc1ccc2CCC(N\C(=N/O)c3nonc3N)c2c1
Nc1nonc1\C(NC1CCc2c1cccc2Cl)=N\O
Cc1cccc2C(CCc12)N\C(=N/O)c1nonc1N
Nc1nonc1\C(NC1CCc2c1cccc2F)=N\O
Nc1nonc1\C(NC1CCc2cc(F)ccc12)=N\O
Nc1nonc1\C(NC1CCc2ccc(Br)cc12)=N\O
C[C@H]1C[C@@H](N\C(=N/O)c2nonc2N)c2ccccc12 |r|
C[C@H]1C[C@H](N\C(=N/O)c2nonc2N)c2ccccc12 |r|
Nc1nonc1\C(NC1CCc2c1cc(F)cc2F)=N\O
CC1(Cc2ccc(F)cc12)N\C(=N/O)c1nonc1N
Nc1nonc1\C(NC1CCc2ccc(cc12)C#N)=N\O
Nc1nonc1\C(NC1CC(F)(F)c2ccccc12)=N\O
NS(=O)(=O)NCCSc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
CC(=O)NCCSc1nonc1\C(N[C@H]1CCc2ccccc12)=N\O |r|
CC(=O)NCCSc1nonc1\C(N[C@@H]1CCc2ccccc12)=N\O |r|
CC(=O)NCCSc1c(non1)/C(=N/O)/N[C@H]2Cc3c2cc(cc3)F
CC(=O)NCCSc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N\O |r|
CC(=O)NCCSc1nonc1\C(NC1Cc2c1cccc2F)=N\O
O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1SCc1cccc(=O)[nH]1 |r|
O\N=C(/N[C@@H]1Cc2ccc(F)cc12)c1nonc1SCc1cccc(=O)[nH]1 |r|
CC(=O)NCCSc1nonc1\C(N[C@H]1Cc2c1cccc2Cl)=N\O |r|
CC(=O)NCCSc1nonc1\C(N[C@@H]1Cc2c1cccc2Cl)=N\O |r|
CCNC(=O)CSc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
NS(=O)(=O)NCCSc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
NS(=O)(=O)NCCSc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N\O |r|
NC(=O)NCCSc1nonc1\C(N[C@H]1CCc2ccc(F)cc12)=N\O |r|
OCCNC(=O)CSc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
OC[C@@H](O)CSc1nonc1\C(N[C@H]1CCc2ccc(F)cc12)=N\O |r|
OC[C@@H](O)CSc1nonc1\C(N[C@@H]1CCc2ccc(F)cc12)=N\O |r|
OC[C@H](O)CSc1nonc1\C(N[C@H]1CCc2ccc(F)cc12)=N\O |r|
OC[C@H](O)CSc1nonc1\C(N[C@@H]1CCc2ccc(F)cc12)=N\O |r|
CCNC(=O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CCNC(=O)CNc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N\O |r|
OCCNC(=O)CNc1nonc1\C(N[C@H]1CCc2ccc(F)cc12)=N\O |r|
OCCNC(=O)CNc1nonc1\C(N[C@@H]1CCc2ccc(F)cc12)=N\O |r|
OCCNC(=O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
OCCNC(=O)CNc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N\O |r|
NS(=O)(=O)NCCNc1nonc1\C(NC1Cc2ccccc12)=N\O
CC(=O)NCCSc1nonc1\C(NC1CCc2ccc(Br)cc12)=N\O
CC(=O)NCCSc1nonc1\C(NC1CCc2ccc(Cl)cc12)=N\O
CNC(=O)CSc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
CNC(=O)CSc1nonc1\C(NC1Cc2c1cccc2Br)=N\O
CNC(=O)CSc1nonc1\C(NC1CCc2ccc(Br)cc12)=N\O
OCCNC(=O)CSc1nonc1\C(NC1Cc2c1cccc2F)=N\O
CNC(=O)CSc1nonc1\C(NC1Cc2ccccc12)=N\O
NC(=O)CSc1nonc1\C(NC1CCc2ccc(Br)cc12)=N\O
CNC(=O)CSc1nonc1\C(NC1Cc2c1cccc2Cl)=N\O
CC(=O)NCCSc1nonc1\C(NC1CCc2ccc(F)c(F)c12)=N/O
CC(=O)NCCSc1nonc1\C(NC1CCc2c1cc(F)cc2F)=N/O
NC(=O)CSc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
Cn1c(CSc2nonc2\C(NC2CCc3ccc(F)cc23)=N\O)n[nH]c1=O
NC(=O)CSc1nonc1\C(NC1Cc2ccccc12)=N\O
NC(=O)NCCSc1nonc1\C(NC1Cc2c1cccc2F)=N\O
CNC(=O)CSc1nonc1\C(NC1CCc2ccc(cc12)C(F)(F)F)=N\O
Cn1c(CSc2nonc2\C(NC2Cc3c2cccc3F)=N\O)n[nH]c1=O
Cn1c(CSc2nonc2\C(NC2Cc3ccc(F)cc23)=N\O)n[nH]c1=O
O\N=C(/NC1CCc2ccc(F)cc12)c1nonc1SCC(=O)NC1CC1
O\N=C(/NC1CCc2ccc(F)cc12)c1nonc1SCc1cccc(=O)[nH]1
CC(C)NC(=O)CSc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
Cc1cc(CSc2nonc2\C(NC2CCc3ccc(F)cc23)=N\O)[nH]c(=O)c1
NC(=O)CSc1nonc1\C(NC1Cc2c1cccc2F)=N\O
NC(=O)CSc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
CNC(=O)CSc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
CCNC(=O)CSc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
CC(C)NC(=O)CSc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
CC(C)NC(=O)CSc1nonc1\C(NC1Cc2c1cccc2F)=N\O
O\N=C(/NC1Cc2c1cccc2F)c1nonc1SCC(=O)NC1CC1
O\N=C(/NC1Cc2ccc(F)cc12)c1nonc1SCC(=O)NC1CC1
CNC(=O)CSc1nonc1\C(NC1Cc2c1cccc2F)=N\O
CNC(=O)CSc1nonc1\C(NC1CCc2ccc(cc12)C#N)=N\O
NC(=O)CSc1nonc1\C(NC1CCc2ccc(cc12)C#N)=N\O
O\N=C(/NC1CCc2ccc(cc12)C#N)c1nonc1SCC(=O)NC1CC1
CCNC(=O)CSc1nonc1\C(NC1CCc2ccc(cc12)C#N)=N\O
CC(C)NC(=O)CSc1nonc1\C(NC1CCc2ccc(cc12)C#N)=N\O
OCCNC(=O)CSc1nonc1\C(NC1CCc2ccc(cc12)C#N)=N\O
CS(=O)(=O)NCCSc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
CS(O)(O)NCCSc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
OCCNC(=O)CSc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
CS(=O)(=O)NCCSc1nonc1\C(NC1Cc2c1cccc2F)=N\O
CS(=O)(=O)NCCSc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
COCCNC(=O)NCCSc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
O\N=C(/NC1Cc2ccc(F)cc12)c1nonc1SCCNC(=O)NC1CC1
COCCNC(=O)NCCSc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
NC(=O)NCCSc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
OCC(O)CSc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
NS(=O)(=O)NCCNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
CCNC(=O)CNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
Cn1c(CNc2nonc2\C(NC2CCc3ccc(F)cc23)=N\O)n[nH]c1=O
CNC(=O)CNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
CC(C)NC(=O)CNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
O\N=C(/NC1CCc2ccc(F)cc12)c1nonc1NCc1cccc(=O)[nH]1
O\N=C(/NC1CCc2ccc(F)cc12)c1nonc1NCC(=O)NC1CC1
CNC(=O)CNc1nonc1\C(NC1CCc2ccc(cc12)C#N)=N\O
Cc1cc(CNc2nonc2\C(NC2CCc3ccc(F)cc23)=N\O)[nH]c(=O)c1
NC(=O)CNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
OC[C@H](O)CNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O |r|
OC[C@@H](O)CNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O |r|
CS(=O)(=O)NCCNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
CCNC(=O)CNc1nonc1\C(NC1CCc2ccc(cc12)C#N)=N\O
CN1C[C@@H](CNc2nonc2\C(NC2CCc3ccc(F)cc23)=N\O)NC1=O |r|
CNC(=O)CNc1nonc1\C(NC1CCc2ccc(cc12)C(F)(F)F)=N\O
OCCNC(=O)CNc1nonc1\C(NC1CCc2ccc(cc12)C#N)=N\O
NC(=O)NCCNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
NS(=O)(=O)NCCNc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
CC(C)NC(=O)CNc1nonc1\C(NC1CCc2ccc(cc12)C#N)=N\O
Cn1c(CNc2nonc2\C(NC2Cc3ccc(F)cc23)=N\O)n[nH]c1=O
CC(C)NC(=O)CNc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
CC(O)(CO)CNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
CS(=O)(=O)NCCNc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
CC(C)(O)[C@H](O)CNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O |r|
CC(C)(O)[C@@H](O)CNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O |r|
OC[C@H](O)CNc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O |r|
N[C@H](CO)CNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O |r|
CC(O)(CO)CNc1nonc1\C(NC1Cc2c1cccc2F)=N\O
NC(=O)NCCNc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
NC(=O)NCCNc1nonc1\C(NC1Cc2c1cccc2F)=N\O
NS(=O)(=O)NC[C@@H](O)CSc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
NS(=O)(=O)NC[C@@H](O)CSc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N\O |r|
CC(C)(O)C(O)CSc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
CC(C)(O)CNC(=O)CNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
CC(C)(CO)NC(=O)CNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
CC(C)(O)CNC(=O)CSc1nonc1\C(N[C@H]1CCc2ccc(F)cc12)=N\O |r|
OCCNC(=O)CNc1nonc1\C(NC1CCc2cc(F)c(F)cc12)=N\O
OCCNC(=O)CNc1nonc1C(NO)NC1CCc2ccc(F)c(F)c12
OC[C@H](O)CNC(=O)CNc1nonc1\C(NC1CCc2ccc(F)c(F)c12)=N\O |r|
OC[C@H](O)CNC(=O)CNc1nonc1\C(NC1CCc2cc(F)c(F)cc12)=N\O |r|
OCCNC(=O)CNc1nonc1\C(N[C@H]1Cc2ccc(Cl)cc12)=N\O |r|
OCC(O)CNC(=O)CNc1nonc1\C(N[C@H]1CCc2ccc(F)cc12)=N\O |r|
CC(O)CNC(=O)CNc1nonc1\C(N[C@H]1CCc2ccc(F)cc12)=N\O |r|
CC(O)CNC(=O)CSc1nonc1\C(N[C@H]1CCc2ccc(F)cc12)=N\O |r|
CC(C)(CO)NC(=O)CSc1nonc1\C(N[C@H]1CCc2ccc(F)cc12)=N\O |r|
O\N=C(/N[C@H]1CCc2ccc(F)cc12)c1nonc1SC[C@H]1CNS(=O)(=O)N1 |r|
NC(=O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CC(=O)NCCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CS(=O)(=O)CCNC(=O)CNc1nonc1\C(NC1CCc2ccc(F)c(F)c12)=N\O
C[C@@H](Nc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O)C(=O)NCCO |r|
C[C@H](Nc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O)C(=O)NCCO |r|
OCC(O)CNC(=O)CSc1nonc1\C(N[C@H]1CCc2ccc(F)cc12)=N\O |r|
CC(C)(O)CNC(=O)CNc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
OCC(O)CNC(=O)CSc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
CC(C)(O)CNC(=O)CSc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
CC(C)(CO)NC(=O)CNc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
CC(C)(CO)NC(=O)CSc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
CC(O)CNC(=O)CNc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
CC(O)CNC(=O)CSc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
O\N=C(/NC1Cc2ccc(F)cc12)c1nonc1NC1=CC(=O)CC1 |t:22|
O\N=C(/NC1Cc2ccc(F)cc12)c1nonc1NC1CCC2(CC1)NC(=O)NC2=O |(-1.99,-3.22,;-.87,-2.16,;-1.54,-.77,;-3.06,-.97,;-4.05,.06,;-4.05,1.58,;-5.56,1.58,;-6.88,2.33,;-8.19,1.57,;-8.19,.06,;-9.5,-.7,;-6.88,-.7,;-5.56,.06,;-.8,.58,;-1.46,1.97,;-.35,3.03,;1.01,2.29,;.72,.78,;1.81,-.31,;3.3,.09,;4.39,-1,;5.88,-.6,;6.28,.89,;5.19,1.98,;3.7,1.58,;6.93,2.28,;8.45,2.1,;9.5,3.22,;8.75,.59,;7.4,-.16,;7.22,-1.69,)|
O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1SCCNC(=O)CC#N |r|
OCC(=O)NCCSc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
OCCNC(=O)CNc1nonc1\C(N[C@H]1Cc2ccc(Br)cc12)=N\O |r|
O\N=C(/NC1Cc2ccc(F)cc12)c1nonc1NCCNC(=O)CC#N
NC1(CNc2nonc2\C(NC2Cc3ccc(F)cc23)=N\O)CC1
OCC(=O)NCCNc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
OCC(O)CNC(=O)CNc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
NC(=O)Nc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
NS(=O)(=O)NC1(CNc2nonc2\C(NC2Cc3ccc(F)cc23)=N\O)CC1
OCCNC(=O)CNc1nonc1\C(NC1Cc2cc(F)ccc12)=N\O
OCC(=O)N1CC(C1)Sc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
O\N=C(/NC1Cc2ccc(F)cc12)c1nonc1SC1CNC1
CC(CNC(C)=O)Nc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
OCCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
C[C@@H](CO)Nc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
NS(=O)(=O)N[C@H](CO)CSc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O |r|
OCCNC(=O)CSc1nonc1\C(NC1Cc2cc(F)c(Cl)cc12)=N\O
OCCNC(=O)CSc1nonc1\C(NC1Cc2cc(F)c(F)cc12)=N\O
OC[C@@H](O)C(=O)NCCSc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
OC[C@H](O)C(=O)NCCSc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
O\N=C(/NC1Cc2ccc(F)cc12)c1nonc1SC[C@H]1CNS(=O)(=O)N1 |r|
CS(=O)(=O)CCNc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
OCC(O)C(=O)N1CC(C1)Sc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CS(=O)(=O)NCC(O)CSc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
NS(=O)(=O)N[C@H]1CC(C1)Nc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r,wU:5.4,wD:17.18,(9.5,.63,;8.01,.23,;9.1,-.86,;7.61,-1.26,;6.92,1.32,;5.44,.92,;4.67,-.42,;3.33,.35,;4.1,1.69,;1.84,-.04,;.76,1.04,;.88,2.58,;-.54,3.17,;-1.54,2.01,;-.74,.69,;-1.41,-.7,;-2.81,-.87,;-3.96,.26,;-3.97,1.8,;-5.51,1.8,;-6.85,2.56,;-8.18,1.78,;-8.17,.24,;-9.5,-.53,;-6.83,-.52,;-5.5,.26,;-.58,-2.09,;-1.72,-3.17,)|
OCCS(=O)(=O)CCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
OCC(=O)NCC(O)CSc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
C[C@@H](CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O)OS(N)(=O)=O |r|
N[C@@H](CSc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O)C(N)=O |r|
OCCNS(=O)(=O)N1CC(C1)Sc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
NS(=O)(=O)N1CC(C1)Sc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1NC1CC2(CNC2)C1 |r|
O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1NC[C@H]1CNCCO1 |r|
N[C@H]1C[C@@H](C1)Nc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r,wU:3.5,wD:13.14,1.0,(8.07,2.05,;6.73,1.28,;5.24,1.68,;4.85,.19,;6.33,-.21,;3.51,-.58,;2.62,.68,;2.96,2.18,;1.64,2.97,;.48,1.95,;1.09,.54,;0,-.55,;-1.54,-.55,;-2.47,.67,;-2.26,2.2,;-3.79,2.41,;-5.01,3.35,;-6.43,2.77,;-6.64,1.24,;-8.07,.66,;-5.42,.3,;-4,.88,;.93,-2.04,;-.56,-3.35,)|
OOCC(=O)N1CC(C1)Sc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
COCC(=O)N1CC(C1)Sc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
OCCSc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CS(=O)(=O)CCC(O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
OCCC(=O)NCCSc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1NCc1cccc(c1)B(O)O |r|
O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1NCc1ccc(cc1)B(O)O |r|
C[Si](C)(O)CCCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
O\N=C(/NC1Cc2ccc(F)cc12)c1nonc1NCCNC(=O)c1cccc2CCOB(O)c12
NS(=O)(=O)NCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
OCC(=O)N1CC(C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CC(=O)NCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
OCCNC(=O)COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
OCC(=O)NCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CS(=O)(=O)NCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
C[C@@H](CO)NC(=O)COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
C[C@H](CO)NC(=O)COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
C[C@H](O)CNC(=O)COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
C[C@@H](O)CNC(=O)COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
NC(=O)NCCOc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
OCC(O)CNC(=O)COc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
OCCNC(=O)COc1nonc1\C(N[C@H]1CCc2ccc(F)cc12)=N\O |r|
CC(C)(O)CNC(=O)COc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
NC(=O)N(CCO)CCOc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
OC[C@H](O)CNC(=O)COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
NC(=O)COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
NC(=O)NCCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CC(C)(Oc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O)C(=O)NCCO
OC[C@@H](O)C(=O)NCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1OC1CNC1 |r|
O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1OCCNC(=O)c1nc[nH]n1 |r|
CC(Oc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O)C(=O)NCCO
NS(=O)(=O)NCCOc1nonc1\C(N[C@H]1CCc2ccc(F)cc12)=N\O |r|
OCC(=O)N1CC[C@@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
OC[C@H](O)C(=O)NCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CS(=O)(=O)CCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1OCCn1cnnc1 |r|
NS(=O)(=O)CCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1OC1CN(C1)C(=O)c1nc[nH]n1 |r|
NS(=O)(=O)N1CC[C@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
NS(=O)(=O)N1CC[C@@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CCC(=O)NCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
NS(=O)(=O)CCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CC(C)(COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O)NC(=O)CO |r|
CC(=O)N[C@H]1C[C@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r,wU:6.8,4.3,wD:16.17,(9.45,-1.09,;7.97,-.69,;7.57,.8,;6.88,-1.78,;5.39,-1.38,;4.06,-2.15,;3.29,-.81,;4.62,-.04,;1.8,-.41,;.71,.67,;1.03,2.18,;-.3,2.95,;-1.45,1.92,;-.82,.51,;-1.59,-.82,;-3.13,-.82,;-3.9,.51,;-3.5,2,;-4.99,2.4,;-6.08,3.49,;-7.57,3.09,;-7.97,1.6,;-9.45,1.2,;-6.88,.51,;-5.39,.91,;-.82,-2.15,;-1.59,-3.49,)|
CC(=O)N[C@H]1C[C@@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r,wU:4.3,wD:16.17,6.8,(9.45,-1.09,;7.97,-.69,;7.57,.8,;6.88,-1.78,;5.39,-1.38,;4.06,-2.15,;3.29,-.81,;4.62,-.04,;1.8,-.41,;.71,.67,;1.03,2.18,;-.3,2.95,;-1.45,1.92,;-.82,.51,;-1.59,-.82,;-3.13,-.82,;-3.9,.51,;-3.5,2,;-4.99,2.4,;-6.08,3.49,;-7.57,3.09,;-7.97,1.6,;-9.45,1.2,;-6.88,.51,;-5.39,.91,;-.82,-2.15,;-1.59,-3.49,)|
OCC(=O)N[C@H]1C[C@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r,wU:7.9,5.4,wD:17.18,(9.97,2.1,;8.64,2.87,;7.3,2.1,;7.3,.56,;5.97,2.87,;4.64,2.1,;4.24,.61,;2.75,1.01,;3.15,2.5,;1.42,.24,;.22,1.21,;.3,2.74,;-1.14,3.3,;-2.11,2.1,;-1.27,.81,;-1.82,-.63,;-3.34,-.87,;-4.43,.22,;-4.43,1.76,;-5.97,1.76,;-7.3,2.53,;-8.64,1.76,;-8.64,.22,;-9.97,-.55,;-7.3,-.55,;-5.97,.22,;-1.05,-1.96,;-1.82,-3.3,)|
CC(=O)NC(CO)COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
C[C@@H](CNC(C)=O)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
COC(=O)NCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
NC(=O)N[C@H]1C[C@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r,wU:6.8,4.3,wD:16.17,(9.26,2.7,;7.77,2.3,;6.68,3.39,;7.37,.81,;5.88,.42,;5.11,-.92,;3.78,-.15,;4.55,1.19,;2.29,-.55,;1.2,.54,;1.52,2.05,;.19,2.82,;-.95,1.79,;-.33,.38,;-1.1,-.95,;-2.63,-1.11,;-3.72,-.02,;-3.72,1.52,;-5.26,1.52,;-6.59,2.29,;-7.92,1.52,;-7.92,-.02,;-9.26,-.79,;-6.59,-.79,;-5.26,-.02,;-.47,-2.36,;-1.62,-3.39,)|
NS(=O)(=O)N[C@H]1C[C@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r,wU:7.9,5.4,wD:17.18,(9.4,1.1,;8.32,.01,;9.4,-1.08,;7.23,-1.08,;7.23,1.1,;5.74,.7,;4.97,-.63,;3.64,.14,;4.41,1.47,;2.15,-.26,;1.06,.83,;1.38,2.33,;.05,3.1,;-1.1,2.07,;-.47,.67,;-1.24,-.67,;-2.77,-.83,;-3.86,.26,;-3.86,1.8,;-5.4,1.8,;-6.74,2.57,;-8.07,1.8,;-8.07,.26,;-9.4,-.51,;-6.74,-.51,;-5.4,.26,;-.62,-2.07,;-1.76,-3.1,)|
O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1OCC(=O)N1CC[C@@H](O)C1 |r|
O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1OCC(=O)N1CC[C@H](O)C1 |r|
C[C@@H](CNC(=O)CO)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1OC1CN(C1)C(=O)C1(O)CC1 |r|
C[C@H](O)C(=O)N1CC(C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
NS(=O)(=O)N1CCC(CC1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
OCC(=O)N1CCC(CC1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CC(=O)N[C@H](CO)COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CC(=O)N[C@@H](CO)COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CC(=O)NC[C@H](O)COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
OCC(=O)N1CC[C@H]1COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CC(=O)NC[C@@H](CO)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
OCC(=O)N[C@H]1C[C@@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r,wU:5.4,wD:7.9,17.18,(8.81,-2.57,;7.72,-1.48,;8.12,.01,;9.6,.41,;7.03,1.1,;5.54,.7,;4.77,-.63,;3.44,.14,;4.21,1.47,;1.95,-.26,;.86,.83,;1.18,2.33,;-.15,3.1,;-1.3,2.07,;-.67,.67,;-1.44,-.67,;-2.97,-.83,;-4.06,.26,;-4.06,1.8,;-5.6,1.8,;-6.94,2.57,;-8.27,1.8,;-8.27,.26,;-9.6,-.51,;-6.94,-.51,;-5.6,.26,;-.82,-2.07,;-1.96,-3.1,)|
NC(=O)N[C@H]1C[C@@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r,wU:4.3,wD:6.8,16.17,(9.26,2.7,;7.77,2.3,;6.68,3.39,;7.37,.81,;5.88,.42,;5.11,-.92,;3.78,-.15,;4.55,1.19,;2.29,-.55,;1.2,.54,;1.52,2.05,;.19,2.82,;-.95,1.79,;-.33,.38,;-1.1,-.95,;-2.63,-1.11,;-3.72,-.02,;-3.72,1.52,;-5.26,1.52,;-6.59,2.29,;-7.92,1.52,;-7.92,-.02,;-9.26,-.79,;-6.59,-.79,;-5.26,-.02,;-.47,-2.36,;-1.62,-3.39,)|
OCC(=O)N1CCC[C@@H]1COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
OCC(=O)N1CC(COc2nonc2\C(N[C@H]2Cc3ccc(F)cc23)=N\O)C1 |r|
OCC(=O)N1CC[C@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
C[C@@H](O)C(=O)N1CC(C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
NS(=O)(=O)N1CC(C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
NC(=O)N1CC(C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
NS(=O)(=O)NCCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1O[C@@H]1C[C@@H](C1)NC(=O)C1(O)CC1 |r,wU:19.21,21.26,wD:4.3,(-2.14,-3.52,;-1.37,-2.18,;-2.14,-.85,;-3.68,-.85,;-4.45,.48,;-4.06,1.97,;-5.54,2.37,;-6.63,3.46,;-8.12,3.06,;-8.52,1.57,;-10.01,1.17,;-7.43,.48,;-5.94,.88,;-1.37,.48,;-2,1.89,;-.86,2.92,;.48,2.15,;.16,.64,;1.25,-.44,;2.58,.33,;4.07,-.07,;4.47,1.41,;2.98,1.81,;5.8,2.18,;7.13,1.41,;7.13,-.13,;8.47,2.18,;7.38,3.27,;10.01,2.18,;9.24,3.52,)|
CC(C)(O)C(=O)N[C@H]1C[C@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r,wU:9.11,7.6,wD:19.20,(9.78,1.1,;8.69,2.18,;9.46,3.52,;7.6,3.27,;7.36,1.41,;7.36,-.13,;6.02,2.18,;4.69,1.41,;4.29,-.07,;2.8,.33,;3.2,1.81,;1.47,-.44,;.38,.64,;.7,2.15,;-.63,2.92,;-1.78,1.89,;-1.15,.48,;-1.92,-.85,;-3.46,-.85,;-4.23,.48,;-3.83,1.97,;-5.32,2.37,;-6.41,3.46,;-7.89,3.06,;-8.29,1.57,;-9.78,1.17,;-7.2,.48,;-5.72,.88,;-1.15,-2.18,;-1.92,-3.52,)|
C[C@@H](CNS(N)(=O)=O)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(O)=O |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(O)=O |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(Cl)cn1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(F)cn1 |r|
Fc1cc2ncn([C@@H]3C[C@H]4[C@H](CNC(c5ccc(Cl)cc5)C(F)(F)F)[C@H]4C3)c2cc1F |r|
COc1ccc(cn1)-c1ccc(NC(=O)[C@@H](C)[C@@H]2[C@H]3C[C@@H](C[C@@H]23)n2cnc3cc(F)c(F)cc23)cc1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(CO)(C1)C2 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(CC#N)(C1)C2 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(CCO)(C1)C2 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(C1)(C2)NC(=O)OC(C)(C)C |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(N)(C1)C2 |r|
CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)c1nc2cc(ccc2[nH]1)C(F)(F)F |r|
CC(O)C12CC(C1)(C2)NC(=O)C(C)[C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12 |r|
CC[C@@H](NC(=O)C12CC(C1)(C2)C(=O)OC)[C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12 |r|
CC[C@@H](NC(=O)C12CC(F)(C1)C2)[C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2ccc(cc12)C#N)C(=O)Nc1ccc(Cl)cc1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cn1)C#N |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cn1)C(F)(F)F |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(C)nc1 |r|
COc1ccc(NC(=O)C(C)[C@@H]2[C@H]3C[C@@H](C[C@@H]23)n2cnc3cc(F)c(F)cc23)cn1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(nc1)C(F)(F)F |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(Cl)cn1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NC12CC(C1)(C2)C#N |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NC12CC(C1)(C2)C(F)(F)F |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NC1CC(F)C1 |r,wU:3.3,7.6,wD:5.9,2.1,(3.83,.03,;3.06,-1.3,;1.52,-1.3,;.19,-2.07,;-1.27,-2.55,;-2.18,-1.3,;-1.27,-.06,;.19,-.53,;-3.72,-1.3,;-4.62,-2.55,;-6.09,-2.07,;-6.09,-.53,;-7.23,.5,;-6.91,2.01,;-8,3.09,;-5.45,2.48,;-5.05,3.97,;-4.3,1.45,;-4.62,-.06,;3.83,-2.64,;3.06,-3.97,;5.37,-2.64,;6.14,-1.3,;7.63,-.9,;7.23,.58,;8,1.92,;5.75,.19,)|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)C(F)(F)F |r|
COc1ccc(NC(=O)C(C)[C@@H]2[C@H]3C[C@@H](C[C@@H]23)n2cnc3cc(F)c(F)cc23)nc1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NC12CC(F)(C1)C2 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(C)cn1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NC1CC(F)(F)C1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1cnn(C)c1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NC1CCC(F)(F)C1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NC12CC(O)(C1)C2 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccn(C)n1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(F)cc1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)C#N |r|
Fc1cc2ncn([C@H]3C[C@H]4[C@@H](C3)[C@@H]4[C@H](NC(=O)c3ccc(Cl)cc3)C3CC3)c2cc1F |r|
Fc1ccc2nccc(O[C@H]3C[C@H]4[C@@H](C3)[C@@H]4[C@H](NC(=O)c3ccc(Cl)cc3)C3CC3)c2c1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NC12CC(C1)(C2)c1ccc(F)cc1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc2nccn2c1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1cnc(nc1)C(F)(F)F |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc2ncnn2c1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NC1CCC(F)(F)CC1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NCC(F)(F)F |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NCCC(F)(F)F |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(C#N)c(C)n1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1cnn(c1)C(F)F |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1cc(nn1C)C1CC1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc2cnoc2c1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1cnc2ccccn12 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1nc2ccccc2s1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc2cc(C)[nH]c2c1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1cnc(C)cn1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(Cl)nn1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1cc(nn1C)C(F)(F)F |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(nc1)C1CC1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1cnc(Br)cn1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1cccc2ccc(F)cc12)C(=O)Nc1ccc(cn1)C#N |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(cn1)C(F)(F)F |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(nc1)C(F)(F)F |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)OC1=CC=NC2CC=C(F)C=C12)C(=O)Nc1cnc(nc1)C(F)(F)F |r,c:13,t:11,17,20|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(nn1)C(F)(F)F |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(nc1)C1CC1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnn(c1)C(F)F |r|
C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1cnn(C)c1 |r|
C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1cnc(C)nc1 |r|
C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1ccc(C)nc1 |r|
C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1ccc(C)cn1 |r|
C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1cnn(COC=O)c1 |r|
C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1nnc(C)s1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cc([nH]n1)C(F)(F)F |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnc(C)cn1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc2cc(C)[nH]c2c1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1nnc([nH]1)C(F)(F)F |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnc(cn1)C#N |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(nn1)C#N |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1nc[nH]n1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc2[nH]ccc2c1 |r|
C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1ccc(nc1)C#N |r|
C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1nnc(C)o1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NC12CC(CO)(C1)C2 |r|
C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1ccc(cn1)C#N |r|
C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)cn1 |r|
C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1ccc(F)cn1 |r|
C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1ccc(nc1)C(F)(F)F |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cc2ccccn2n1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1nc2ccccn2n1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1nc2ncccn2n1 |r|
C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1cnc[nH]1 |r|
CC(C)n1cc(cn1)-c1ccc(NC(=O)[C@@H](C)[C@@H]2[C@H]3C[C@@H](C[C@@H]23)n2cnc3cc(F)c(F)cc23)cc1 |r|
C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1cncn1C |r|
C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1ccc(F)cc1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1nc2c(Br)cc(Cl)cc2s1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(cc1)-n1cncn1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(cc1)-c1nncn1C |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC1CCNCC1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(F)cc1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(C1)(C2)c1ccc(F)cc1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(CO)cn1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccn(c1)C(F)(F)F |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnn(c1)C(F)(F)F |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnn(c1)C1CCOCC1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccn(CC(F)(F)F)n1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnn(CC(F)(F)F)c1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1nc2ccccc2[nH]1 |r|
Fc1ccc2nccc(O[C@H]3C[C@H]4[C@@H](C3)[C@@H]4C(C3CC3)C(=O)Nc3ccc(Cl)cc3)c2c1 |r|
Fc1ccc2nccc(O[C@H]3C[C@H]4[C@@H](C3)[C@@H]4C(C3CC3)C(=O)Nc3cc([nH]n3)C(F)(F)F)c2c1 |r|
Fc1ccc2nccc(O[C@H]3C[C@H]4[C@@H](C3)[C@@H]4C(C3CC3)C(=O)Nc3ccc(nc3)C3CC3)c2c1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)c1nc2cc(Cl)ccc2[nH]1 |r|
Fc1ccc2nccc(O[C@H]3C[C@H]4[C@@H](C3)[C@@H]4C(C3CC3)C(=O)Nc3ccc(cn3)-n3cncn3)c2c1 |r|
Fc1ccc2nccc(O[C@H]3C[C@H]4[C@@H](C3)[C@@H]4C(C3CC3)C(=O)Nc3cnc(nc3)C(F)(F)F)c2c1 |r|
CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(Cl)cc1 |r|
CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cc([nH]n1)C(F)(F)F |r|
CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnc(nc1)C(F)(F)F |r|
CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(nc1)C1CC1 |r|
CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(cn1)C(N)=O |r|
CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(cn1)-n1cncn1 |r|
CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnc(C)cn1 |r|
Fc1ccc2nccc(O[C@H]3C[C@H]4[C@@H](C3)[C@@H]4C(C3CC3)C(=O)Nc3ccc(cn3)C#N)c2c1 |r|
Fc1ccc2nccc(O[C@H]3C[C@H]4[C@@H](C3)[C@@H]4C(C3CC3)C(=O)Nc3ccc(Cl)cn3)c2c1 |r|
Cc1cnc(NC(=O)C(C2CC2)[C@@H]2[C@H]3C[C@@H](C[C@@H]23)Oc2ccnc3ccc(F)cc23)cn1 |r|
Fc1ccc2nccc(O[C@H]3C[C@H]4[C@@H](C3)[C@@H]4C(C3CC3)C(=O)Nc3ccc(nn3)C#N)c2c1 |r|
Fc1ccc2nccc(O[C@H]3C[C@H]4[C@@H](C3)[C@@H]4C(C3CC3)C(=O)Nc3ccn(n3)C(F)(F)F)c2c1 |r|
FC(F)n1cc(NC(=O)C(C2CC2)[C@@H]2[C@H]3C[C@@H](C[C@@H]23)Oc2ccnc3ccc(F)cc23)cn1 |r|
OC(=O)C(C1CC1)[C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12 |r|
Fc1ccc2nccc(O[C@H]3C[C@H]4[C@@H](C3)[C@@H]4C(C3CC3)C(=O)Nc3cnc(cn3)C#N)c2c1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(C1)(C2)NC(=O)CO |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(C1)(C2)NC(=O)CC#N |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(C1)(C2)NC(=O)CC(F)(F)F |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(C1)(C2)NC(=O)CCO |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(C1)(C2)NC(C)=O |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)c1nc2cc(ccc2[nH]1)C(F)(F)F |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)c1nc2cc(Cl)ccc2[nH]1 |r|
CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)c1nc2cc(Cl)ccc2[nH]1 |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)c1nc2cc(ccc2[nH]1)C(F)(F)F |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)c1nc2cc(Cl)cnc2[nH]1 |r|
CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnn(c1)C1COC1 |r|
CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cn2cc(Cl)ccc2n1 |r|
CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1nc2ccc(Cl)cn2n1 |r|
CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(O)=O |r|
CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnn(c1)-c1ccccc1 |r|
CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(Cl)cn1 |r|
CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccnn1C(F)(F)F |r|
CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnc(cn1)C#N |r|
CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(cn1)C#N |r|
CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnn(c1)C(F)F |r|
CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(nn1)C#N |r|
O=C(Nc1ccc(cc1)C#N)Nc1cccc2cncn12
Clc1ccc(NC(=O)Nc2cccc3cncn23)cc1
Fc1ccc2cncn2c1NC(=O)Nc1ccc(cc1)C#N
COc1ccc2cncn2c1NC(=O)Nc1ccc(cc1)C#N
CCOc1ccc2cncn2c1NC(=O)Nc1ccc(cc1)C#N
O=C(Nc1ccc(cc1)C#N)Nc1c(ccc2cncn12)-c1ccccc1
Clc1ccc2cncn2c1NC(=O)Nc1ccc(cc1)C#N
Clc1cc(NC(=O)Nc2ccc(cc2)C#N)n2cncc2c1
Fc1ccc(cc1)-c1ccc2cncn2c1NC(=O)Nc1ccc(cc1)C#N
Fc1cccc(c1)-c1ccc2cncn2c1NC(=O)Nc1ccc(cc1)C#N
Fc1ccccc1-c1ccc2cncn2c1NC(=O)Nc1ccc(cc1)C#N
O=C(Nc1ccc(cc1)C#N)Nc1c(ccc2cncn12)C1=CCCC1 |t:24|
OC(=O)c1ccc(NC(=O)Nc2c(ccc3cncn23)-c2ccccc2)cc1
CNC(=O)c1ccc(NC(=O)Nc2c(ccc3cncn23)-c2ccccc2)cc1
NC(=O)c1ccc(NC(=O)Nc2c(ccc3cncn23)-c2ccccc2)cc1
OCCNC(=O)c1ccc(NC(=O)Nc2c(ccc3cncn23)-c2ccccc2)cc1
O=C(Nc1ccc(nc1)C#N)Nc1c(ccc2cncn12)-c1ccccc1
O=C(Nc1ccc(cn1)C#N)Nc1c(ccc2cncn12)-c1ccccc1
COc1cc(NC(=O)Nc2c(ccc3cncn23)-c2ccccc2)ccc1C#N
COc1cc(ccc1NC(=O)Nc1c(ccc2cncn12)-c1ccccc1)C#N
O=C(Cc1c(ccc2cncn12)-c1ccccc1)Nc1ccc(cc1)C#N
OCc1cc(ccc1NC(=O)Cc1c(ccc2cncn12)-c1ccccc1)C#N
Clc1cc(CC(=O)Nc2ccc(cc2)C#N)n2cncc2c1
N#Cc1ccc(CNCc2c(ccc3cncn23)-c2ccccc2)cc1
ON(C(=O)Cc1c(ccc2cncn12)-c1ccccc1)c1ccc(cc1)C#N
O=C(Cc1c(ccc2cncn12)-c1ccccc1)Nc1ccc(cc1)C(=O)N1CCOCC1
COC1CCN(CC1)C(=O)c1ccc(NC(=O)Cc2c(ccc3cncn23)-c2ccccc2)cc1
O=C(Cc1c(ccc2cncn12)-c1ccccc1)Nc1ccc(cc1)C(=O)NCCN1CCOCC1
O=C(Cc1c(ccc2cncn12)-c1ccccc1)Nc1ccc(cc1)C(=O)NCCCN1CCOCC1
O=C(Cc1c(ccc2cncn12)-c1ccccc1)Nc1ccc(cc1)-c1cn[nH]c1
COCCn1cc(cn1)-c1ccc(NC(=O)Cc2c(ccc3cncn23)-c2ccccc2)cc1
O=C(Cc1c(ccc2cncn12)-c1ccccc1)Nc1cc[nH]n1
O=C(Cc1c(ccc2cncn12)-c1ccccc1)Nc1cn[nH]c1
CN(Cc1ccc(cc1)C#N)Cc1c(ccc2cncn12)-c1ccccc1
C(NCc1c(ccc2cncn12)-c1ccccc1)c1ccccc1
C(NCc1c(ccc2cncn12)-c1ccccc1)C1CCCCC1
CC(C)CNCc1c(ccc2cncn12)-c1ccccc1
CC(C)(O)CNCc1c(ccc2cncn12)-c1ccccc1
Clc1cc(CC(=O)Nc2ccc(cc2)C#N)c2cn[nH]c2c1
CS(=N)(=O)CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
C[S@@](=N)(=O)CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O |r|
C[S@](=N)(=O)CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O |r|
CS(=N)(=O)CCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CS(=N)(=O)CCCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CS(=N)(=O)CCCCNc1nonc1\C(Nc1ccc(F)c(c1)C(F)(F)F)=N\O
CS(=N)(=O)CCCCNc1nonc1\C(Nc1cccc(c1)C(F)(F)F)=N\O
CS(=O)(CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)=NC#N
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCS(=N)(=O)c1ccccc1
CS(=N)(=O)CCCNc1nonc1\C(Nc1cccc(c1)S(F)(F)(F)(F)F)=N\O
CS(=O)(CCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)=NC#N
CS(=O)(CCCNc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O)=NC#N
CS(=O)(CCCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)=NC#N
CS(=O)(CCCCNc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O)=NC#N
CCC(C)(C)C(=O)O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCS(C)(=O)=NC#N
CC(C)C(=O)O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCS(C)(=O)=NC#N
CC(C)(C)C(=O)O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCS(C)(=O)=NC#N
c1ccc(cc1)c2cnc[nH]2
FC(F)(F)c1cc(N2CCC3(CC2)NC(=O)NC3=O)n2cncc2c1
Brc1cc(N2CCC3(CC2)NC(=O)NC3=O)n2cncc2c1
Clc1cc(N2CCC3(CC2)NC(=O)NC3=O)n2cncc2c1
FC(F)(F)c1cc(N2CCC3(CC2)NC(=O)NC3=O)c2cncn2c1
CC1(C)CN(CCC11NC(=O)NC1=O)c1cc(cc2cncn12)C(F)(F)F
CN1C(=O)NC2(CCN(CC2)c2cc(cc3cncn23)C(F)(F)F)C1=O
FC(F)(F)c1cc(N2CCC3(CC2)NC(=O)N(CC2CCOCC2)C3=O)n2cncc2c1
CC1(C)CN(CCC11NC(=O)NC1=O)c1cc(Cl)cc2cncn12
FC(F)(F)c1cc(N2CCC3(CC2)NC(=O)N(C3=O)c2ccccc2)n2cncc2c1
CN1C(=O)NC2(CCN(CC2(C)C)c2cc(cc3cncn23)C(F)(F)F)C1=O
CC1(C)CN(CCC11NC(=O)NC1=O)c1cc(cn2cncc12)C(F)(F)F
FC(F)(F)c1cc(N2CCC3(CC(=O)NC3=O)CC2)n2cncc2c1
CC1(C)CN(CCC11NC(=O)N(CC2CCOCC2)C1=O)c1cc(cc2cncn12)C(F)(F)F
CC1(C)CN(CCC11NC(=O)N(C1=O)c1ccccc1)c1cc(cc2cncn12)C(F)(F)F
CC1(C)CN(CCC11NC(=O)NC1=O)c1cc(Br)cc2cncn12
FC(F)(F)c1cc(N2CCC3(CCOC3=O)CC2)n2cncc2c1
CC1=NC2(CCN(CC2)c2cc(cc3cncn23)C(F)(F)F)C(=O)N1 |t:1|
FC(F)(F)c1cc(N2CCC3(CCNC3=O)CC2)n2cncc2c1
CC(=O)N1CCC2(CC1)CCN(CC2)c1cc(cc2cncn12)C(F)(F)F
COCCOCc1nc2c(cccn2c1-c1cccc(F)c1F)-c1ccc(c(c1)C(=O)Nc1ccc(F)cc1)C(F)(F)F |(.12,30.38,;-.65,29.05,;-2.19,29.05,;-2.96,27.71,;-4.5,27.71,;-5.27,26.38,;-6.81,26.38,;-7.71,27.62,;-9.18,27.15,;-10.51,27.92,;-11.84,27.15,;-11.84,25.61,;-10.51,24.84,;-9.18,25.61,;-7.71,25.13,;-7.31,23.65,;-8.4,22.56,;-8,21.07,;-6.52,20.67,;-5.43,21.76,;-3.94,21.36,;-5.83,23.25,;-4.74,24.34,;-10.51,29.46,;-11.84,30.23,;-11.84,31.77,;-10.51,32.59,;-9.18,31.77,;-9.18,30.23,;-7.84,32.54,;-7.84,34.08,;-6.51,31.77,;-5.18,32.54,;-3.84,31.77,;-2.51,32.54,;-2.51,34.08,;-1.17,34.85,;-3.84,34.85,;-5.18,34.08,;-10.51,34.13,;-10.51,35.67,;-12.05,34.13,;-8.97,34.13,)|
Cc1ncc(cc1C(=O)Nc1ccc(F)cc1)-c1cccn2c(c(CO)nc12)-c1cncc(F)c1
Fc1ccc(NC(=O)c2cc(ncc2C(F)(F)F)-c2cccn3c(cnc23)-c2cccc(F)c2F)cc1
Cc1ccc(cn1)-c1cnc2c(cccn12)-c1ccc(c(c1)C(=O)Nc1ccc(F)cc1)C(F)(F)F
Cc1cccc(n1)-c1cnc2c(cccn12)-c1ccc(c(c1)C(=O)Nc1ccc(F)cc1)C(F)(F)F
Fc1ccc(NC(=O)c2cc(ccc2C(F)(F)F)-c2cccn3c(cnc23)-c2ccncc2)cc1
NCc1nc2c(cccn2c1-c1cccc(F)c1F)-c1ccc(c(c1)C(=O)Nc1ccc(F)cc1)C(F)(F)F |(2.24,21.72,;1.47,20.38,;-.07,20.38,;-.97,21.63,;-2.44,21.15,;-3.77,21.92,;-5.11,21.15,;-5.11,19.61,;-3.77,18.84,;-2.44,19.61,;-.97,19.14,;-.57,17.65,;-1.66,16.56,;-1.27,15.07,;.22,14.67,;1.31,15.76,;2.8,15.36,;.91,17.25,;2,18.34,;-3.77,23.46,;-5.11,24.23,;-5.11,25.77,;-3.77,26.54,;-2.44,25.77,;-2.44,24.23,;-1.1,26.54,;-1.1,28.08,;.23,25.77,;1.56,26.54,;2.9,25.77,;4.23,26.54,;4.23,28.08,;5.56,28.85,;2.9,28.85,;1.56,28.08,;-3.77,28.08,;-2.44,28.85,;-5.11,28.85,;-3.77,29.62,)|
Cc1cnc(cc1C(=O)Nc1ccc(F)cc1)-c1cccn2c(cnc12)-c1cccc(F)c1F
Cc1ncccc1-c1cnc2c(cccn12)-c1ccc(c(c1)C(=O)Nc1ccc(F)cc1)C(F)(F)F
Cc1ncc(cc1C(=O)Nc1ccc(F)cc1)-c1cccn2c(cnc12)-c1cccc(F)c1F
Cc1nc2c(cccn2c1-c1cccc(F)c1F)-c1ccc(C)c(c1)C(=O)Nc1ccc(F)cc1 |(-4.28,25.54,;-5.82,25.54,;-6.73,26.79,;-8.19,26.31,;-9.52,27.08,;-10.86,26.31,;-10.86,24.77,;-9.52,24,;-8.19,24.77,;-6.73,24.29,;-6.33,22.81,;-7.42,21.72,;-7.02,20.23,;-5.53,19.83,;-4.44,20.92,;-2.95,20.52,;-4.84,22.41,;-3.75,23.5,;-9.52,28.62,;-10.86,29.39,;-10.86,30.93,;-9.52,31.7,;-9.52,33.24,;-8.19,30.93,;-8.19,29.39,;-6.86,31.7,;-6.86,33.24,;-5.52,30.93,;-4.19,31.7,;-2.86,30.93,;-1.52,31.7,;-1.52,33.24,;-.19,34.01,;-2.86,34.01,;-4.19,33.24,)|
Cc1ncc(cc1C(=O)Nc1ccc(F)cc1)-c1ccnn2c(cnc12)-c1cccc(F)c1F
Cc1ncc(cc1C(=O)Nc1ccc(F)cc1)-c1cccn2c(c(CO)nc12)-c1cccc(F)c1F |(-9.39,30.41,;-9.39,28.87,;-10.72,28.1,;-10.72,26.56,;-9.39,25.79,;-8.05,26.56,;-8.05,28.1,;-6.72,28.87,;-6.72,30.41,;-5.39,28.1,;-4.05,28.87,;-2.72,28.1,;-1.39,28.87,;-1.39,30.41,;-.05,31.18,;-2.72,31.18,;-4.05,30.41,;-9.39,24.25,;-10.72,23.48,;-10.72,21.94,;-9.39,21.17,;-8.05,21.94,;-6.59,21.47,;-5.68,22.71,;-4.14,22.71,;-3.37,24.05,;-6.59,23.96,;-8.05,23.48,;-6.19,19.98,;-7.28,18.89,;-6.88,17.4,;-5.39,17.01,;-4.3,18.09,;-2.82,17.7,;-4.7,19.58,;-3.61,20.67,)|
OCc1nc2c(cccn2c1-c1cccnc1)-c1ccc(Cl)c(c1)C(=O)Nc1ccc(F)cc1
Cc1ccc(nc1C(=O)Nc1ccc(F)cc1)-c1cccn2c(cnc12)-c1cccc(F)c1F
Cc1ccc(cc1C(=O)Nc1ccc(F)cc1)-c1cccn2c(cnc12)-c1ccccc1
Cc1nc2c(cccn2c1-c1cccnc1)-c1ccc(c(c1)C(=O)Nc1ccc(F)cc1)C(F)(F)F
Cc1ccc(cc1C(=O)Nc1ccc(F)cc1)-c1cccn2c(cnc12)-c1cccc(F)c1
Fc1ccc(NC(=O)c2cc(cnc2C(F)(F)F)-c2cccn3c(cnc23)-c2cccc(F)c2F)cc1
OCc1nc2c(cccn2c1-c1cccnc1)-c1ccc(c(c1)C(=O)Nc1ccc(F)cc1)C(F)(F)F
Fc1ccc(NC(=O)c2cc(ccc2C(F)(F)F)-c2cccn3c(cnc23)-c2cccnc2F)cc1
Cc1ccc(cc1C(=O)Nc1ccc(F)cc1)-c1cccn2c(cnc12)-c1ccccc1F
Fc1ccc(NC(=O)c2nc(ccc2C(F)(F)F)-c2cccn3c(cnc23)-c2cccc(F)c2F)cc1
Fc1ccc(NC(=O)c2cc(ccc2C(F)(F)F)-c2cccn3c(cnc23)-c2cccnc2)cc1
Fc1ccc(NC(=O)c2cc(ccc2C(F)(F)F)-c2cccn3c(cnc23)-c2cncc(F)c2)cc1
Cc1ccc(cc1C(=O)Nc1ccc(F)cc1)-c1cccn2c(cnc12)-c1cccc(F)c1F
OCc1nc2c(cccn2c1-c1cccc(F)c1F)-c1ccc(c(c1)C(=O)Nc1ccc(F)cc1)C(F)(F)F |(-3.4,28.78,;-4.17,27.44,;-5.71,27.44,;-6.61,28.69,;-8.08,28.21,;-9.41,28.98,;-10.75,28.21,;-10.75,26.67,;-9.41,25.9,;-8.08,26.67,;-6.61,26.2,;-6.21,24.71,;-7.3,23.62,;-6.9,22.13,;-5.42,21.73,;-4.33,22.82,;-2.84,22.43,;-4.73,24.31,;-3.64,25.4,;-9.41,30.52,;-10.75,31.29,;-10.75,32.83,;-9.41,33.6,;-8.08,32.83,;-8.08,31.29,;-6.74,33.6,;-6.74,35.14,;-5.41,32.83,;-4.08,33.6,;-2.74,32.83,;-1.41,33.6,;-1.41,35.14,;-.08,35.91,;-2.74,35.91,;-4.08,35.14,;-9.41,35.14,;-10.75,35.91,;-8.08,35.91,;-9.41,36.68,)|
Fc1ccc(NC(=O)c2cc(ccc2C(F)(F)F)-c2cccn3c(cnc23)-c2cccc(F)c2F)cc1
Fc1ccc(NC(=O)c2cc(ccc2C(F)(F)F)-c2ccnn3c(cnc23)-c2cccc(F)c2F)cc1
Fc1ccc(NC(=O)c2cc(ccc2C(F)(F)F)-c2ccnn3c(cnc23)-c2cccnc2)cc1
Fc1ccc(NC(=O)c2cc(ccc2C(F)(F)F)-c2cccc3c(nc(Cl)n23)-c2cccc(F)c2F)cc1
Cc1ccc(cc1C(=O)Nc1ccc(F)cc1)-c1ccnn2c(cnc12)-c1cccc(F)c1F
Fc1ccc(NC(=O)c2cc(ccc2C(F)(F)F)-c2cccc3c(ncn23)-c2cccc(F)c2F)cc1
Fc1ccc(NC(=O)c2cc(ccc2C(F)(F)F)-c2cccc3c(cnn23)-c2cccc(F)c2F)cc1
Fc1ccc2[nH]c(nc2c1)-c1cc(ccc1C(F)(F)F)-c1cccn2c(cnc12)-c1cccc(F)c1F
CS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NS(=O)(=O)NCCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O |w:25.26|
CCCCONc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NOCCN1CCOCC1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NOCCN1CCCC1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NOCCN1C(=O)CCC1=O
O\N=C(/Nc1ccc(F)c(Cl)c1)c1nonc1NOCCN1C(=O)C=CC1=O |c:26|
CC(=O)NCCONc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(c1)C(F)(F)F)c1nonc1NOCCc1cccs1
Cc1ccc(CCONc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)cc1
O\N=C(/Nc1ccc(F)c(c1)C(F)(F)F)c1nonc1NOCCNC(=O)c1ccc(F)cc1
Nc1ncc(s1)C(=O)NCCONc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NOCCOc1ccccc1
NCCONc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CS(=O)(=O)NCCONc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
OCCONc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
OCCCONc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
NC(CCONc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)C(O)=O
NC(CCONc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)C(N)=O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NOCCCC(O)=O
COC(=O)C(N)CCONc1nonc1\C(Nc1ccc(F)c(F)c1)=N\O
NS(=O)(=O)NC1(CONc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)CC1
NS(=O)(=O)NCC1(CONc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)CC1
COC(=O)C(CCONc1nonc1\C(Nc1ccc(F)c(F)c1)=N\O)NS(N)(=O)=O
NS(=O)(=O)NC(CO)CONc1nonc1\C(Nc1ccc(F)cc1)=N\O
NS(=O)(=O)NCCONc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NS(=O)(=O)NCCONc1nonc1\C(NCc1ccccc1)=N\O
NS(=O)(=O)NCCCCONc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CC(N\C(=N/O)c1nonc1NOCCNS(N)(=O)=O)c1ccccc1
NC1CCC(CC1)ONc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O |(-7.44,2.07,;-6.45,.89,;-4.93,1.15,;-3.95,-.03,;-4.48,-1.47,;-6,-1.74,;-6.98,-.55,;-3.57,-2.56,;-2.08,-1.98,;-1.18,-3.23,;-1.65,-4.69,;-.41,-5.6,;.84,-4.69,;.36,-3.23,;1.13,-1.9,;2.67,-1.9,;3.44,-3.23,;2.67,-4.56,;3.44,-5.9,;4.98,-5.9,;5.75,-7.23,;5.75,-4.56,;7.29,-4.56,;4.98,-3.23,;.36,-.56,;1.13,.77,)|
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NOC1CCCNC1
NS(=O)(=O)N1CCC(CC1)ONc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NS(=O)(=O)NC1CCC(CC1)ONc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O |(-7.88,24.07,;-7.42,25.54,;-8.52,26.62,;-6.96,27.01,;-5.9,25.8,;-4.92,24.62,;-3.4,24.88,;-2.41,23.7,;-2.94,22.25,;-4.46,21.99,;-5.45,23.17,;-2.04,21.17,;-.55,21.74,;.36,20.5,;-.12,19.03,;1.13,18.13,;2.37,19.03,;1.9,20.5,;2.67,21.83,;4.21,21.83,;4.98,20.5,;4.21,19.16,;4.98,17.83,;6.52,17.83,;7.29,16.5,;7.29,19.16,;8.83,19.16,;6.52,20.5,;1.9,23.17,;2.67,24.5,)|
ONc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CONc1nonc1\C(Nc1ccc(F)c(F)c1)=N\O
O\N=C(/Nc1ccc(F)c(Cl)c1)c1nonc1NS
O\N=C(/Nc1ccc(F)c(F)c1)c1nonc1NOC1CCC(O)CC1 |(.47,-19.01,;-.3,-20.34,;.47,-21.67,;2.01,-21.67,;2.78,-23.01,;2.01,-24.34,;2.78,-25.67,;4.32,-25.67,;5.09,-27.01,;5.09,-24.34,;6.63,-24.34,;4.32,-23.01,;-.3,-23.01,;.18,-24.47,;-1.07,-25.38,;-2.31,-24.47,;-1.84,-23.01,;-2.74,-21.76,;-4.27,-21.92,;-5.23,-20.72,;-4.67,-19.29,;-5.63,-18.08,;-7.16,-18.31,;-8.12,-17.11,;-7.72,-19.75,;-6.76,-20.95,)|
CN(Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O)C(=O)Cc1ccccc1
CSNc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
O\N=C(/Nc1ccc(F)c(F)c1)c1nonc1N1CCCCO1
O\N=C(/Nc1ccc(F)c(F)c1)c1nonc1NOC1CCCCO1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NOCCNC(=O)Nc1cc(F)cc(F)c1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NOCCNC(=O)NC1CCCC1
CC(C)OC(=O)NCCONc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NOCCONc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NS(=O)(=O)NOCCONc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CC(=O)ONc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NOC(=O)c1ccccc1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NOC(=O)Nc1ccccc1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NOCCOCCNC(=O)Nc1cc(F)cc(F)c1
ON=C(/Nc1ccc(F)c(F)c1)c1nonc1NOC1CCC2(CC1)NC(=O)NC2=O
O\N=C(/Nc1ccc(F)c(F)c1)c1nonc1NOC1CCC(CCC(=O)Nc2ccc(F)cc2)CC1 |(5.49,-6.23,;4.72,-7.57,;5.49,-8.9,;7.03,-8.9,;7.8,-10.23,;7.03,-11.57,;7.8,-12.9,;9.34,-12.9,;10.11,-14.23,;10.11,-11.57,;11.65,-11.57,;9.34,-10.23,;4.72,-10.23,;5.35,-11.64,;4.21,-12.67,;2.87,-11.9,;3.19,-10.4,;2.16,-9.25,;.66,-9.57,;-.37,-8.43,;.1,-6.96,;-.93,-5.82,;-2.43,-6.14,;-3.46,-4.99,;-4.97,-5.31,;-6,-4.17,;-5.53,-2.7,;-7.51,-4.49,;-8.54,-3.34,;-8.06,-1.88,;-9.09,-.74,;-10.6,-1.06,;-11.63,.09,;-11.08,-2.52,;-10.04,-3.67,;-2.91,-7.6,;-1.88,-8.75,)|
COC(=O)CSNc1nonc1\C(Nc1ccc(F)cc1)=N\O
NS(=O)(=O)NCCNc1nonc1\C(NO)=N/c1ccc(F)c(Br)c1
OC(C1CCCCC1)c1c(sc2cncn12)C1CC1
O[C@@H](C1CCCCC1)c1c(sc2cncn12)C1CC1 |r|
OC(CC1CCCCC1)c1c(sc2cncn12)C1CC1
O[C@@H](CC1CCCCC1)c1c(sc2cncn12)C1CC1 |r|
CC(C)c1sc2cncn2c1[C@@H](O)C1CCCCC1
CC(C)c1sc2cncn2c1[C@@H](O)CC1CCCCC1
Cc1sc2cncn2c1[C@@H](O)CC1CCCCC1
Cc1sc2cncn2c1[C@@H](O)C1CCCCC1
Cc1sc2cncn2c1[C@H](O)C1CCCCC1
OC(C1CCCCC1)c1c(sc2cncn12)C1CCC1
O[C@H](C1CCCCC1)c1c(sc2cncn12)C1CCC1 |r|
O[C@@H](CC1CCCCC1)c1c(sc2cncn12)C1CCC1
O[C@H](CC1CCCCC1)c1c(sc2cncn12)C1CCC1
OC(C1CCCCC1)c1c(sc2cncn12)C1CCCC1
O[C@H](C1CCCCC1)c1c(sc2cncn12)C1CCCC1 |r|
OC(CC1CCCCC1)c1c(sc2cncn12)C1CCCC1
O[C@H](CC1CCCCC1)c1c(sc2cncn12)C1CCCC1 |r|
CC(C)(C)c1sc2cncn2c1C(O)C1CCCCC1
CC(C)(C)c1sc2cncn2c1C(O)CC1CCCCC1
OC(C1CCCCC1)c1c(Cl)sc2cncn12
O[C@@H](C1CCCCC1)c1c(Cl)sc2cncn12 |r|
OC(C1CCCCC1)c1c(Br)sc2cncn12
OC(c1cccs1)c1c(Cl)sc2cncn12
OC(CC1CCCCC1)c1c(Cl)sc2cncn12
O[C@H](CC1CCCCC1)c1c(Cl)sc2cncn12 |r|
OC(C1CCCCCC1)c1c(Cl)sc2cncn12
OC(C1CCCC1)c1c(Cl)sc2cncn12
OC(C1CC1)c1c(Cl)sc2cncn12
O[C@H]([C@@H]1C[C@H]2CCC1C2)c1c(sc2cncn12)C1CC1
OC(CC1CC(F)(F)C1)c1c(sc2cncn12)C1CC1
OC(CC12CCC(CC1)C2)c1c(sc2cncn12)C1CC1
CC1(CC(O)c2c(sc3cncn23)C2CC2)CCCCC1
OC(CC1CCCC1)c1c(sc2cncn12)C1CC1
O[C@H](CC1CCCC1)c1c(sc2cncn12)C1CC1 |r|
CC1(C)CCC(CC(O)c2c(sc3cncn23)C2CC2)CC1
CC1(C)CCC(CC1)C(O)c1c(sc2cncn12)C1CC1
CC1CCCC(C1)C(O)c1c(sc2cncn12)C1CC1
OC(CC1CCCCCC1)c1c(sc2cncn12)C1CC1
O[C@H](CC1CCCCCC1)c1c(sc2cncn12)C1CC1 |r|
CC1CCCC(CC(O)c2c(sc3cncn23)C2CC2)C1
CC1CCC(C1)C(O)c1c(sc2cncn12)C1CC1
CC1CCCCC1CC(O)c1c(sc2cncn12)C1CC1
OC(c1cccs1)c1c(Br)sc2cncn12
OC(CC1CCCCC1)c1c(Br)sc2cncn12
CC1(C)CCC(CC(O)c2c(sc3cncn23)C2CC2)C1
CC1(C)CCC(C[C@@H](O)c2c(sc3cncn23)C2CC2)C1 |r|
OC(CC1CCC(C1)c1ccccc1)c1c(sc2cncn12)C1CC1
CC1(C)CC(C1)C(O)c1c(sc2cncn12)C1CC1
CC1(C)CC(C1)[C@H](O)c1c(sc2cncn12)C1CC1 |r|
OC(CC1CCC(CC1)c1ccccc1)c1c(sc2cncn12)C1CC1 |(-1.98,-4.28,;-.48,-3.96,;.55,-5.1,;.08,-6.57,;1.11,-7.71,;.63,-9.17,;-.87,-9.49,;-1.9,-8.35,;-1.43,-6.89,;-1.35,-10.96,;-.32,-12.1,;-.79,-13.57,;-2.3,-13.89,;-3.33,-12.74,;-2.86,-11.28,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,)|
OC(CC1CC2CC1C=C2)c1c(sc2cncn12)C1CC1 |c:9|
CC1(CC(O)c2c(sc3cncn23)C2CC2)CCC1
OC(CC1CCC1)c1c(sc2cncn12)C1CC1
OC(CC1CC2CCC1O2)c1c(sc2cncn12)C1CC1
OC(CC1CCC(CC1)C(F)(F)F)c1c(sc2cncn12)C1CC1 |(-1.98,-4.28,;-.48,-3.96,;.55,-5.1,;.08,-6.57,;1.11,-7.71,;.63,-9.17,;-.87,-9.49,;-1.9,-8.35,;-1.43,-6.89,;-1.35,-10.96,;-1.82,-12.42,;-2.81,-10.48,;.12,-11.44,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,)|
OC(C1CCC1)c1c(sc2cncn12)C1CC1
CC1CCC(CC1)C(O)c1c(sc2cncn12)C1CC1 |(-6.5,-5.24,;-4.99,-4.92,;-3.96,-6.06,;-2.46,-5.74,;-1.98,-4.28,;-3.01,-3.13,;-4.52,-3.45,;-.48,-3.96,;.55,-5.1,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,)|
CCC1CCC(CC1)C(O)c1c(sc2cncn12)C1CC1 |(-6.98,-6.7,;-6.5,-5.24,;-4.99,-4.92,;-3.96,-6.06,;-2.46,-5.74,;-1.98,-4.28,;-3.01,-3.13,;-4.52,-3.45,;-.48,-3.96,;.55,-5.1,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,)|
OC(C1CCCC1)c1c(sc2cncn12)C1CC1
CC1(C)CCC(C1)C(O)c1c(sc2cncn12)C1CC1
CC1CCCC1C(O)c1c(sc2cncn12)C1CC1
CC1CCC(CC(O)c2c(sc3cncn23)C2CC2)CC1 |(-1.35,-10.96,;-.87,-9.49,;.63,-9.17,;1.11,-7.71,;.08,-6.57,;.55,-5.1,;-.48,-3.96,;-1.98,-4.28,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,;-1.43,-6.89,;-1.9,-8.35,)|
OC(c1c(sc2cncn12)C1CC1)c1ccccc1
Cc1ccc(cc1)C(O)c1c(sc2cncn12)C1CC1
Cc1cccc(c1)C(O)c1c(sc2cncn12)C1CC1
CCc1ccc(cc1)C(O)c1c(sc2cncn12)C1CC1
CCc1cccc(c1)C(O)c1c(sc2cncn12)C1CC1
COc1ccc(cc1)C(O)c1c(sc2cncn12)C1CC1
COc1cccc(c1)C(O)c1c(sc2cncn12)C1CC1
Cc1sc2cncn2c1C(O)c1cccs1
CNc1ccc(cc1)C(O)c1c(C)sc2cncn12
OC(Cc1ccccc1)c1c(sc2cncn12)C1CC1
OC(Cc1c(Cl)cccc1Cl)c1c(sc2cncn12)C1CC1
Cc1ccccc1CC(O)c1c(sc2cncn12)C1CC1
COc1cccc(CC(O)c2c(C)sc3cncn23)c1
OC(C1CCCCC1)c1c(sc2cncn12)C(F)(F)F
OC(CC1CCCCC1)c1c(sc2cncn12)C(F)(F)F
CC(CC(O)c1c(sc2cncn12)C1CC1)C1CCCCC1
CC1(C)CC[C@@H](C1)[C@H](O)c1c(sc2cncn12)C1CC1
CC1(C)CC[C@@H](C1)[C@@H](O)c1c(sc2cncn12)C1CC1
CC1(CCCC1)[C@H](O)c1c(sc2cncn12)C1CC1
O[C@H](c1c(sc2cncn12)C1CC1)c1ccccc1
O[C@@H](C1CCCCC1)c1c(sc2cncn12)C(F)(F)F
CCC(C(O)c1c(sc2cncn12)C1CC1)C1CCCCC1
OC(Cc1cccc2ccccc12)c1c(sc2cncn12)C1CC1
OC(C1CCCCC1)c1c(C=C)sc2cncn12
O[C@@H](C1CCCCC1)c1c(C=C)sc2cncn12 |r|
CC1(C)CCCC(C1)C(O)c1c(sc2cncn12)C1CC1
OC(C1CCC2(CCCC2)CC1)c1c(sc2cncn12)C1CC1
OC(CC1CCC(F)(F)CC1)c1c(sc2cncn12)C1CC1
CC(C)C1CCC(CC1)C(O)c1c(sc2cncn12)C1CC1 |(-6.98,-6.7,;-6.5,-5.24,;-7.53,-4.09,;-4.99,-4.92,;-3.96,-6.06,;-2.46,-5.74,;-1.98,-4.28,;-3.01,-3.13,;-4.52,-3.45,;-.48,-3.96,;.55,-5.1,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,)|
OC(C1CCC(CC1)c1ccccc1)c1c(sc2cncn12)C1CC1 |(.55,-5.1,;-.48,-3.96,;-1.98,-4.28,;-2.46,-5.74,;-3.96,-6.06,;-4.99,-4.92,;-4.52,-3.45,;-3.01,-3.13,;-6.5,-5.24,;-6.98,-6.7,;-8.48,-7.02,;-9.51,-5.88,;-9.04,-4.41,;-7.53,-4.09,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,)|
O[C@H](C1CCC(CC1)c1ccccc1)c1c(sc2cncn12)C1CC1 |r,wD:1.0,(.55,-5.1,;-.48,-3.96,;-1.98,-4.28,;-2.46,-5.74,;-3.96,-6.06,;-4.99,-4.92,;-4.52,-3.45,;-3.01,-3.13,;-6.5,-5.24,;-6.98,-6.7,;-8.48,-7.02,;-9.51,-5.88,;-9.04,-4.41,;-7.53,-4.09,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,)|
CC(C)(C)C1CCC(CC(O)c2c(sc3cncn23)C2CC2)CC1 |(-1.82,-12.42,;-1.35,-10.96,;.12,-11.44,;-2.81,-10.48,;-.87,-9.49,;-1.9,-8.35,;-1.43,-6.89,;.08,-6.57,;.55,-5.1,;-.48,-3.96,;-1.98,-4.28,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,;1.11,-7.71,;.63,-9.17,)|
OC(CC1CCCCC1c1ccccc1)c1c(sc2cncn12)C1CC1
CC1(C)CCCCC1CC(O)c1c(sc2cncn12)C1CC1
OC(C1CCC(Cc2ccccc2)C1)c1c(sc2cncn12)C1CC1
CC(C)CC1CCC(C1)C(O)c1c(sc2cncn12)C1CC1
COC1CCCC(C1)C(O)c1c(sc2cncn12)C1CC1
OC(C1CCc2ccccc2C1)c1c(sc2cncn12)C1CC1
OC(C1CCC(CC1)C(F)(F)F)c1c(sc2cncn12)C1CC1 |(.55,-5.1,;-.48,-3.96,;-1.98,-4.28,;-2.46,-5.74,;-3.96,-6.06,;-4.99,-4.92,;-4.52,-3.45,;-3.01,-3.13,;-6.5,-5.24,;-8.01,-5.56,;-6.82,-3.73,;-6.18,-6.74,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,)|
CC(C(O)c1c(sc2cncn12)C1CC1)C1CCCCC1
OC(C1CCCC1c1ccccc1)c1c(sc2cncn12)C1CC1
CC1(C)CCCC1C(O)c1c(sc2cncn12)C1CC1
CC(C)C1CCC(CC(O)c2c(sc3cncn23)C2CC2)CC1 |(-.32,-12.1,;-1.35,-10.96,;-2.86,-11.28,;-.87,-9.49,;.63,-9.17,;1.11,-7.71,;.08,-6.57,;.55,-5.1,;-.48,-3.96,;-1.98,-4.28,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,;-1.43,-6.89,;-1.9,-8.35,)|
CC(C)(C)C1CCC(CC1)C(O)c1c(sc2cncn12)C1CC1 |(4.68,-9.68,;3.65,-8.53,;4.79,-7.5,;2.5,-9.56,;2.62,-7.39,;1.11,-7.71,;.08,-6.57,;.55,-5.1,;2.06,-4.78,;3.09,-5.93,;-.48,-3.96,;-1.98,-4.28,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,)|
OC(CC1CCC(CC1)C1CCC1)c1c(sc2cncn12)C1CC1 |(-1.98,-4.28,;-.48,-3.96,;.55,-5.1,;.08,-6.57,;-1.43,-6.89,;-1.9,-8.35,;-.87,-9.49,;.63,-9.17,;1.11,-7.71,;-1.35,-10.96,;-.65,-12.33,;-2.02,-13.03,;-2.72,-11.66,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,)|
CC1(CCC(C1)C(O)c1c(sc2cncn12)C1CC1)c1ccccc1
OC(CC1CCCC2CCCCC12)c1c(sc2cncn12)C1CC1
OC(C1CCC2CCCCC2C1)c1c(sc2cncn12)C1CC1
OC(C1CCCC1Cc1ccccc1)c1c(sc2cncn12)C1CC1
OC(C1CCCCC1)c1c(sc2cncn12)-c1ccccc1
O[C@@H](C1CCCCC1)c1c(sc2cncn12)-c1ccccc1 |r|
OC(CC1CCCCC1)c1c(sc2cncn12)-c1ccccc1
OC(C1CCCCC1)c1c(sc2cncn12)-c1ccsc1
OC(CC1CCCCC1)c1c(sc2cncn12)-c1ccsc1
CCc1sc2cncn2c1C(O)C1CCCCC1
OC(CC1CCCCC1)c1c(C=C)sc2cncn12
CC(C)Cc1sc2cncn2c1C(O)C1CCCCC1
CC(C)Cc1sc2cncn2c1C(O)CC1CCCCC1
CCc1sc2cncn2c1C(O)CC1CCCCC1
CCc1sc2cncn2c1[C@@H](O)CC1CCCCC1 |r|
CCc1sc2cncn2c1[C@H](O)CC1CCCCC1 |r|
OC(CC1CCC2CCCCC2C1)c1c(sc2cncn12)C1CC1
OC(CC1CCCC(C1)C(F)(F)F)c1c(sc2cncn12)C1CC1
OC(C1CCC(CC1)C1CCC1)c1c(sc2cncn12)C1CC1 |(-1.98,-4.28,;-.48,-3.96,;.55,-5.1,;.08,-6.57,;1.11,-7.71,;2.62,-7.39,;3.09,-5.93,;2.06,-4.78,;3.65,-8.53,;5.18,-8.61,;5.1,-10.15,;3.57,-10.07,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,)|
OC(C1CCCC(C1)C(F)(F)F)c1c(sc2cncn12)C1CC1
CC1(CCCCC1)C(O)c1c(sc2cncn12)C1CC1
CC1(C)CCCC(CC(O)c2c(sc3cncn23)C2CC2)C1
Cc1sc2cncn2c1C(O)CC1CCC(C1)c1ccccc1
CC1(C)CCC(C1)C(O)c1c(sc2cncn12)C(F)(F)F
Cc1sc2cncn2c1C(O)C1CC(C)(C)C1
CC1(C)CC(C1)C(O)c1c(sc2cncn12)C(F)(F)F
OC(CC1CCCC1)c1c(sc2cncn12)C(F)(F)F
OC(CC1CCC(C1)c1ccccc1)c1c(sc2cncn12)C(F)(F)F
Cc1sc2cncn2c1C(O)C1CCCC1
COC1CCCC(CC(O)c2c(sc3cncn23)C2CC2)C1
CC1CCC(CC1)C(O)c1c(sc2cncn12)C(F)(F)F |(3.65,-8.53,;2.62,-7.39,;1.11,-7.71,;.08,-6.57,;.55,-5.1,;2.06,-4.78,;3.09,-5.93,;-.48,-3.96,;-1.98,-4.28,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.99,-1.25,;-2.45,.29,;-2.45,-2.79,)|
CC1CCC(C1)C(O)c1c(sc2cncn12)C(F)(F)F
CC1CCCCC1CC(O)c1c(sc2cncn12)C(F)(F)F
CC1(C)CCC(CC(O)c2c(sc3cncn23)C(F)(F)F)CC1
CC1CCCC1C(O)c1c(sc2cncn12)C(F)(F)F
CC1CC(C)(C)CC1C(O)c1c(sc2cncn12)C1CC1
CC1(C)CCC(CC(O)c2c(sc3cncn23)C(F)(F)F)C1
CC1CCCC(CC(O)c2c(sc3cncn23)C(F)(F)F)C1
CCC1CCCC1C(O)c1c(sc2cncn12)C1CC1
OC(C1CCCCC1)c1c(sc2cncn12)-c1cccnc1
Cn1cc(cn1)-c1sc2cncn2c1C(O)C1CCCCC1
Cc1ccc(cc1)-c1sc2cncn2c1C(O)C1CCCCC1
COc1ccc(cc1)-c1sc2cncn2c1C(O)C1CCCCC1
Cc1cscc1-c1sc2cncn2c1C(O)C1CCCCC1
CCCc1sc2cncn2c1C(O)CC1CCCCC1
CCCc1sc2cncn2c1C(O)C1CCCCC1
COC1CCC(CC(O)c2c(sc3cncn23)C2CC2)CC1 |(-.32,-12.1,;-1.35,-10.96,;-.87,-9.49,;.63,-9.17,;1.11,-7.71,;.08,-6.57,;.55,-5.1,;-.48,-3.96,;-1.98,-4.28,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,;-1.43,-6.89,;-1.9,-8.35,)|
OC(C1CCCC1)c1c(sc2cncn12)C(F)(F)F
OC(C1CC2CCCC2C1)c1c(sc2cncn12)C1CC1
OC(CC1CCC(CC1)C1CCCC1)c1c(sc2cncn12)C1CC1 |(-1.98,-4.28,;-.48,-3.96,;.55,-5.1,;.08,-6.57,;-1.43,-6.89,;-1.9,-8.35,;-.87,-9.49,;.63,-9.17,;1.11,-7.71,;-1.35,-10.96,;-.44,-12.21,;-1.35,-13.45,;-2.81,-12.98,;-2.81,-11.44,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,)|
OC(CC1CCCC1c1ccccc1)c1c(sc2cncn12)C1CC1
CC(C)C1(C)CCC(C1)C(O)c1c(sc2cncn12)C1CC1
CC1(CCCC1)C(O)c1c(sc2cncn12)C(F)(F)F
OC(CC1CCC(CC1)C(F)F)c1c(sc2cncn12)C1CC1 |(-1.98,-4.28,;-.48,-3.96,;.55,-5.1,;.08,-6.57,;1.11,-7.71,;.63,-9.17,;-.87,-9.49,;-1.9,-8.35,;-1.43,-6.89,;-1.35,-10.96,;-.32,-12.1,;-2.86,-11.28,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,)|
CC1(C)CCC(C)(C1)C(O)c1c(sc2cncn12)C1CC1
Cc1sc2cncn2c1C(O)C1(C)CCCC1
Cc1sc2cncn2c1[C@@H](O)C1(C)CCCC1 |r|
Cc1sc2cncn2c1C(O)C1CCC(C)(C)C1
CCC1CCC(CC(O)c2c(sc3cncn23)C2CC2)CC1 |(-.32,-12.1,;-1.35,-10.96,;-.87,-9.49,;.63,-9.17,;1.11,-7.71,;.08,-6.57,;.55,-5.1,;-.48,-3.96,;-1.98,-4.28,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,;-1.43,-6.89,;-1.9,-8.35,)|
OC(c1c(sc2cncn12)C1CC1)c1cccc(c1)C(F)(F)F
OC(c1c(sc2cncn12)C1CC1)c1ccc(F)cc1
OC(c1c(sc2cncn12)C1CC1)c1cccc(F)c1
OC(c1c(sc2cncn12)C1CC1)c1ccc(Cl)cc1
COc1ccccc1C(O)c1c(sc2cncn12)C1CC1
Cc1ccccc1C(O)c1c(sc2cncn12)C1CC1
OC(c1c(sc2cncn12)C1CC1)c1cccc(Cl)c1
CCCC1CCC(CC(O)c2c(sc3cncn23)C2CC2)CC1 |(-3.33,-12.74,;-2.86,-11.28,;-1.35,-10.96,;-.87,-9.49,;.63,-9.17,;1.11,-7.71,;.08,-6.57,;.55,-5.1,;-.48,-3.96,;-1.98,-4.28,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,;-1.43,-6.89,;-1.9,-8.35,)|
OC(C1CCC(O)CC1)c1c(sc2cncn12)C1CC1 |(.55,-5.1,;-.48,-3.96,;-1.98,-4.28,;-2.46,-5.74,;-3.96,-6.06,;-4.99,-4.92,;-6.5,-5.24,;-4.52,-3.45,;-3.01,-3.13,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,)|
OC(CC1CCC(O)CC1)c1c(sc2cncn12)C1CC1 |(-1.98,-4.28,;-.48,-3.96,;.55,-5.1,;.08,-6.57,;1.11,-7.71,;.63,-9.17,;-.87,-9.49,;-1.35,-10.96,;-1.9,-8.35,;-1.43,-6.89,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,)|
Cc1cc(cs1)-c1sc2cncn2c1C(O)C1CCCCC1
OC(C1CCCCC1)c1c(Cc2ccccc2)sc2cncn12
OC(CC1CCCCC1)c1c(sc2cncn12)C1CC(F)(F)C1
OC(C1CCCCC1)c1c(sc2cncn12)C1CC(F)(F)C1
COCc1sc2cncn2c1C(O)C1CCCCC1
Cc1sc2cncn2c1C(O)C#Cc1ccccc1
OC(c1c(sc2cncn12)C1CC1)c1ccc(cc1)C(F)(F)F
CCNC1CCC(CC(O)c2c(sc3cncn23)C2CC2)CC1 |(-3.33,-12.74,;-2.86,-11.28,;-1.35,-10.96,;-.87,-9.49,;.63,-9.17,;1.11,-7.71,;.08,-6.57,;.55,-5.1,;-.48,-3.96,;-1.98,-4.28,;,-2.49,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.83,-1.25,;2.93,-2.49,;1.46,-2.02,;-2.45,-1.25,;-3.78,-2.02,;-3.78,-.48,;-1.43,-6.89,;-1.9,-8.35,)|
CC1(C)CCC(CC1)C(O)c1c(sc2cncn12)C(F)(F)F
Cc1sc2cncn2c1C(O)c1ccccc1
OC(c1c(sc2cncn12)C1CC1)c1ccccc1F
OC(c1c(sc2cncn12)C1CC1)c1ccccc1Cl
OC(C1CCCCCC1)c1c(sc2cncn12)C1CC1
CC1(CCCCCC1)C(O)c1c(sc2cncn12)C1CC1
Cc1sc2cncn2c1C(O)[C@H]1C[C@@H]1c1ccccc1
Cc1sc2cncn2c1C(O)[C@@H]1C[C@@H]1c1ccccc1
Cc1sc2cncn2c1C(O)C1CCN(CC1)c1ccccc1
CC1(CC1)c1sc2cncn2c1C(O)C1CCCCC1
OC(c1cccs1)c1c(sc2cncn12)C1CC1
CCc1sc2cncn2c1C(O)C1(C)CCCC1
OC(c1ccsc1)c1c(sc2cncn12)C1CC1
Cc1sc2cncn2c1C(O)C1(C)CCCCC1
CCc1sc2cncn2c1C(O)C1(C)CCCCC1
CCc1sc2cncn2c1C(O)c1ccccc1
Cc1sc2cncn2c1C(O)CC1CCC(C)(C)CC1
CCc1sc2cncn2c1C(O)CC1CCC(C)(C)CC1
CCc1sc2cncn2c1C(O)CC1CCCC1
CCc1sc2cncn2c1C(O)C1CC(C)(C)C1
OC(C1CCCCC1)c1c(sc2cncn12)-c1cccc(F)c1
OC(C1CCCCC1)c1c(sc2cncn12)-c1ccccc1F
Cc1sc2cncn2c1C(O)CC1CCCC1
OC(C1CCCCC1)c1c(sc2cncn12)C1(F)CC1
CC[C@H](C)c1sc2cncn2c1C(O)C1CCCCC1
OC(C1CCCCC1)c1c(sc2cncn12)[C@@H]1C[C@@H]1F
OC(C1CCCCC1)c1c(sc2cncn12)[C@@H]1C[C@H]1F
CC(C)n1cc(cn1)C(O)c1c(sc2cncn12)C1CC1
OC(c1cnn(c1)C1CCCC1)c1c(sc2cncn12)C1CC1
OC(c1c(sc2cncn12)C1CC1)C12CC(C1)(CC2)c1ccccc1 |(2.62,-1.61,;1.59,-2.76,;.09,-2.44,;-1.06,-3.47,;-2.39,-2.7,;-2.07,-1.19,;-2.7,.22,;-1.55,1.25,;-.22,.48,;-.54,-1.03,;-.9,-5,;.01,-6.24,;-1.52,-6.41,;2.07,-4.22,;1.16,-5.47,;2.07,-6.71,;1.76,-5.47,;3.53,-6.24,;3.53,-4.7,;1.59,-8.18,;2.62,-9.32,;2.15,-10.79,;.64,-11.11,;-.39,-9.96,;.09,-8.5,)|
OC(c1c(sc2cncn12)C1CC1)C12CC(C1)(C2)c1ccccc1
Cn1cc(nn1)C(O)c1c(sc2cncn12)C1CC1
CCn1cc(nn1)C(O)c1c(sc2cncn12)C1CC1
CC(C)n1cc(nn1)C(O)c1c(sc2cncn12)C1CC1
OC(c1cn(nn1)C1CCCC1)c1c(sc2cncn12)C1CC1
OC(c1cn(nn1)C1CCC1)c1c(sc2cncn12)C1CC1
OC(c1cn(nn1)C1CCCCC1)c1c(sc2cncn12)C1CC1
CCc1sc2cncn2c1C(O)c1cn(nn1)C1CCCC1
Cc1sc2cncn2c1C(O)c1cn(nn1)C1CCCC1
OC(c1c[nH]nn1)c1c(sc2cncn12)C1CC1
C[C@H]([C@H]1CC[C@H](CC1)c1ccnc2ccc(F)cc12)C(=O)Nc1ccc(cc1)S(F)(F)(F)(F)F |r,wU:1.0,wD:2.2,5.8,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;S;;;;;$,(-.67,-3.46,;-.67,-1.93,;.67,-1.15,;2,-1.93,;3.33,-1.15,;3.33,.38,;2,1.15,;.67,.38,;4.67,1.15,;4.67,2.7,;6,3.46,;7.34,2.7,;7.34,1.15,;8.67,.38,;8.67,-1.15,;7.34,-1.93,;7.34,-3.46,;6,-1.15,;6,.38,;-2,-1.15,;-2,.38,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-6,1.15,;-7.34,.38,;-7.34,-1.15,;-6,-1.93,;-8.67,1.15,;-10,.38,;-8.67,2.69,;-8.67,-.39,;-7.34,1.92,;-10,1.92,)|
C[C@H]([C@H]1CC[C@@H](CC1)c1ccnc2ccc(F)cc12)C(=O)Nc1ccc(cc1)S(F)(F)(F)(F)F |r,wU:1.0,5.8,wD:2.2,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;S;;;;;$,(-.67,-3.46,;-.67,-1.93,;.67,-1.15,;2,-1.93,;3.33,-1.15,;3.33,.38,;2,1.15,;.67,.38,;4.67,1.15,;4.67,2.7,;6,3.46,;7.34,2.7,;7.34,1.15,;8.67,.38,;8.67,-1.15,;7.34,-1.93,;7.34,-3.46,;6,-1.15,;6,.38,;-2,-1.15,;-2,.38,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-6,1.15,;-7.34,.38,;-7.34,-1.15,;-6,-1.93,;-8.67,1.15,;-10,.38,;-8.67,2.69,;-10,1.92,;-8.67,-.39,;-7.34,1.92,)|
C[C@H]([C@H]1CC[C@H](CC1)c1ccnc(C)c1)C(=O)Nc1ccc(cc1)S(F)(F)(F)(F)F |r,wU:1.0,wD:2.2,5.8,$;;;;;;;;;;;;;;;;;;;;;;;;S;;;;;$,(-.67,-3.46,;-.67,-1.93,;.67,-1.15,;2,-1.93,;3.33,-1.15,;3.33,.38,;2,1.15,;.67,.38,;4.67,1.15,;4.67,2.7,;6,3.46,;7.34,2.7,;7.34,1.15,;8.67,.38,;6,.38,;-2,-1.15,;-2,.38,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-6,1.15,;-7.34,.38,;-7.34,-1.15,;-6,-1.93,;-8.67,1.15,;-10,.38,;-8.67,2.69,;-8.67,-.39,;-10,1.92,;-7.34,1.92,)|
C[C@H](C1CCC(CC1)c1ccnc2ccnn12)C(=O)Nc1ccc(cc1)S(F)(F)(F)(F)F |r,wU:1.0,$;;;;;;;;;;;;;;;;;;;;;;;;;;S;;;;;$,(-.57,-3.46,;-.57,-1.92,;.76,-1.15,;2.1,-1.92,;3.43,-1.15,;3.43,.38,;2.1,1.15,;.76,.38,;4.76,1.15,;4.76,2.69,;6.1,3.46,;7.43,2.69,;7.43,1.15,;8.57,.12,;7.95,-1.28,;6.42,-1.12,;6.1,.38,;-1.91,-1.15,;-1.91,.38,;-3.24,-1.92,;-4.57,-1.15,;-4.57,.38,;-5.91,1.15,;-7.24,.38,;-7.24,-1.15,;-5.91,-1.92,;-8.57,1.15,;-9.91,.38,;-8.57,2.69,;-8.57,-.39,;-9.91,1.92,;-7.24,1.92,)|
OC1(CC(=O)Nc2ccc(cc2)S(F)(F)(F)(F)F)CCC(CC1)c1ccnc2ccc(F)cc12 |$;;;;;;;;;;;;S;;;;;;;;;;;;;;;;;;;;;$,(.67,-2.7,;.67,-1.15,;-.67,-1.93,;-2,-1.15,;-2,.38,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-6,1.15,;-7.34,.38,;-7.34,-1.15,;-6,-1.93,;-8.67,1.15,;-10,.38,;-8.67,2.69,;-8.67,-.39,;-10,1.92,;-7.34,1.92,;2,-1.93,;3.33,-1.15,;3.33,.38,;2,1.15,;.67,.38,;4.67,1.15,;4.67,2.7,;6,3.46,;7.34,2.7,;7.34,1.15,;8.67,.38,;8.67,-1.15,;7.34,-1.93,;7.34,-3.46,;6,-1.15,;6,.38,)|
C[C@H]([C@H]1CC[C@H](CC1)c1ccnc2ccc(F)cc12)C(=O)Nc1cccc(c1)S(F)(F)(F)(F)F |r,wU:1.0,wD:2.2,5.8,(-1.33,-3.85,;-1.33,-2.31,;,-1.54,;1.33,-2.31,;2.67,-1.54,;2.67,,;1.33,.77,;;4,.77,;4,2.31,;5.33,3.08,;6.67,2.31,;6.67,.77,;8,,;8,-1.54,;6.67,-2.31,;6.67,-3.85,;5.33,-1.54,;5.33,,;-2.67,-1.54,;-2.67,,;-4,-2.31,;-5.33,-1.54,;-6.67,-2.31,;-8,-1.54,;-8,,;-6.67,.83,;-5.33,,;-6.67,2.37,;-6.67,3.91,;-8,3.14,;-8,1.6,;-5.33,1.6,;-5.33,3.14,)|
CC(NC(=O)c1ccc(cc1)S(F)(F)(F)(F)F)[C@H]1CC[C@H](CC1)c1ccnc2ccc(F)cc12 |r,wD:17.17,20.24,$;;;;;;;;;;;S;;;;;;;;;;;;;;;;;;;;;;$,(-.67,-3.46,;-.67,-1.93,;-2,-1.15,;-3.33,-1.93,;-3.33,-3.46,;-4.67,-1.15,;-4.67,.38,;-6,1.15,;-7.34,.38,;-7.34,-1.15,;-6,-1.93,;-8.67,1.15,;-10,.38,;-8.67,2.69,;-8.67,-.39,;-10,1.92,;-7.34,1.92,;.67,-1.15,;2,-1.93,;3.33,-1.15,;3.33,.38,;2,1.15,;.67,.38,;4.67,1.15,;4.67,2.7,;6,3.46,;7.34,2.7,;7.34,1.15,;8.67,.38,;8.67,-1.15,;7.34,-1.93,;7.34,-3.46,;6,-1.15,;6,.38,)|
Cc1nc2onc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)c2c(C)c1Cl
Cc1nc2onc(NC(=O)Nc3ccc(cc3)C#N)c2c(C)c1Cl
Cc1nc2onc(NC(=O)Oc3ccccc3)c2c(C)c1Cl
Cc1nc2onc(NC(=O)Nc3ccccc3Cl)c2c(C)c1Cl
Cc1nc2onc(NC(=O)Nc3cccc(Cl)c3)c2c(C)c1Cl
Cc1nc2onc(NC(=O)Nc3ccc(Cl)cc3)c2c(C)c1Cl
Cc1nc2onc(NC(=O)Nc3ccccc3OC(F)(F)F)c2c(C)c1Cl
Cc1nc2onc(NC(=O)Nc3cccc(OC(F)(F)F)c3)c2c(C)c1Cl
COc1ccccc1NC(=O)Nc1noc2nc(C)c(Cl)c(C)c12
COc1cccc(NC(=O)Nc2noc3nc(C)c(Cl)c(C)c23)c1
COc1ccc(NC(=O)Nc2noc3nc(C)c(Cl)c(C)c23)cc1
Cc1nc2onc(NC(=O)Nc3ccccc3C(F)(F)F)c2c(C)c1Cl
Cc1nc2onc(NC(=O)Nc3cccc(c3)C(F)(F)F)c2c(C)c1Cl
Cc1nc2onc(NC(=O)Nc3ccc(cc3)C(F)(F)F)c2c(C)c1Cl
Cc1nc2onc(NC(=O)Nc3ccccc3)c2c(C)c1Cl
Cc1nc2onc(NC(=O)Cc3ccccc3)c2c(C)c1Cl
Cc1nc2onc(NC(=O)Cc3ccc(OC(F)(F)F)cc3)c2c(C)c1Cl
CC(=O)Nc1noc2nc(C)c(Cl)c(C)c12
ON=C(Nc1ccc(F)c(Br)c1)c1nonc1NCC1CNC1 |w:1.0|
CC(C)(C)OC(=O)N1CC(CNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N/O)C1
NS(=O)(=O)N1CC(CNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)C1 |w:24.26|
CC(C)(C)OC(=O)N1CCC(CNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N/O)C1
ON=C(Nc1ccc(F)c(Br)c1)c1nonc1NCC1CCNC1 |w:1.0|
NS(=O)(=O)N1CCC(CNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)C1
NS(=O)(=O)N1CC[C@@H](CNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)C1 |w:25.27|
NS(=O)(=O)N1CC[C@H](CNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)C1 |w:25.27|
NS(=O)(=O)N1CCCC(CNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)C1 |w:26.28|
NS(=O)(=O)N1CCOC(CNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)C1 |w:26.28|
NS(=O)(=O)N1CCC1CNc1nonc1C(Nc1ccc(F)c(Br)c1)=NO |w:25.28|
NS(=O)(=O)N1CCCC1CNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NS(=O)(=O)N1CCCCC1CNc1nonc1C(Nc1ccc(F)c(Br)c1)=NO |w:27.30|
NS(=O)(=O)N1CCCC1CCNc1nonc1C(Nc1ccc(F)c(Br)c1)=NO |w:27.30|
NS(=O)(=O)N1CCC(CNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)CC1 |w:25.27|
NS(=O)(=O)N1CCC(CCNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)CC1 |w:26.28|
CS(=O)(=O)N1CCC(CNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)C1 |w:25.27|
ON=C(Nc1ccc(F)c(Br)c1)c1nonc1NCC1CCN(C1)S(=O)(=O)C1CC1 |w:1.0|
CN(C)S(=O)(=O)N1CCC(CNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)C1 |w:27.29|
ON=C(Nc1ccc(F)c(Br)c1)c1nonc1NCC1CCN(C1)S(O)(=O)=O |w:1.0|
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCC1CCN(C1)S(=O)(=O)C1COC1
NS(=O)(=O)N1CC(COc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)C1 |w:24.26|
NS(=O)(=O)N1CCC(COc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)C1 |w:25.27|
NS(=O)(=O)N1CCC(CSc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)C1 |w:25.27|
CN1CCC(CNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)C1 |w:22.24|
CNS(=O)(=O)N1CC(CNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)C1 |w:25.27|
CN(C)S(=O)(=O)N1CC(CNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)C1 |w:26.28|
CS(=O)(=O)N1CC(CNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)C1 |w:24.26|
ON=C(Nc1ccc(F)c(Br)c1)c1nonc1NCC1CN(C1)S(=O)(=O)C1CC1 |w:1.0|
CN(C)C(=O)C(=O)N1CC(CNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)C1 |w:27.29|
NS(=O)(=O)N1CC(F)(CNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)C1 |w:25.27|
NS(=O)(=O)N1CC(O)(CNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)C1 |w:25.27|
NS(=O)(=O)N1CCC(O)(CNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)C1 |w:26.28|
Fc1ccc2nccc([C@@H]3CC[C@H](Cc4nc5cc(Cl)ccc5[nH]4)CC3)c2c1 |r,wD:12.12,9.8,(8.98,-69.22,;8.98,-70.76,;10.31,-71.53,;10.31,-73.07,;8.98,-73.84,;8.98,-75.38,;7.65,-76.15,;6.31,-75.38,;6.31,-73.84,;4.98,-73.07,;3.65,-73.84,;2.31,-73.07,;2.31,-71.53,;.98,-70.76,;.98,-69.22,;2.22,-68.31,;1.75,-66.85,;2.52,-65.51,;1.75,-64.18,;2.52,-62.85,;.21,-64.18,;-.56,-65.51,;.21,-66.85,;-.27,-68.31,;3.65,-70.76,;4.98,-71.53,;7.65,-73.07,;7.65,-71.53,)|
Cc1c(Br)ccc2[nH]c(C[C@H]3CC[C@H](CC3)c3ccnc4ccc(F)cc34)nc12 |r,wU:13.16,10.9,(-.82,3.98,;-2.36,3.98,;-3.13,5.32,;-2.36,6.65,;-4.67,5.32,;-5.44,3.98,;-4.67,2.65,;-5.14,1.18,;-3.9,.28,;-3.9,-1.26,;-2.56,-2.03,;-1.23,-1.26,;.1,-2.03,;.1,-3.57,;-1.23,-4.34,;-2.56,-3.57,;1.44,-4.34,;1.44,-5.88,;2.77,-6.65,;4.1,-5.88,;4.1,-4.34,;5.44,-3.57,;5.44,-2.03,;4.1,-1.26,;4.1,.28,;2.77,-2.03,;2.77,-3.57,;-2.65,1.18,;-3.13,2.65,)|
Cc1ccc2[nH]c(C[C@H]3CC[C@@H](CC3)c3ccnc4ccc(F)cc34)nc2c1 |r,wU:8.7,wD:11.14,(-2.36,6.65,;-3.13,5.32,;-4.67,5.32,;-5.44,3.98,;-4.67,2.65,;-5.14,1.18,;-3.9,.28,;-3.9,-1.26,;-2.56,-2.03,;-1.23,-1.26,;.1,-2.03,;.1,-3.57,;-1.23,-4.34,;-2.56,-3.57,;1.44,-4.34,;1.44,-5.88,;2.77,-6.65,;4.1,-5.88,;4.1,-4.34,;5.44,-3.57,;5.44,-2.03,;4.1,-1.26,;4.1,.28,;2.77,-2.03,;2.77,-3.57,;-2.65,1.18,;-3.13,2.65,;-2.36,3.98,)|
Cc1ccc2[nH]c(C[C@H]3CC[C@H](CC3)c3ccnc4ccc(F)cc34)nc2c1 |r,wU:11.14,8.7,(-2.36,6.65,;-3.13,5.32,;-4.67,5.32,;-5.44,3.98,;-4.67,2.65,;-5.14,1.18,;-3.9,.28,;-3.9,-1.26,;-2.56,-2.03,;-1.23,-1.26,;.1,-2.03,;.1,-3.57,;-1.23,-4.34,;-2.56,-3.57,;1.44,-4.34,;1.44,-5.88,;2.77,-6.65,;4.1,-5.88,;4.1,-4.34,;5.44,-3.57,;5.44,-2.03,;4.1,-1.26,;4.1,.28,;2.77,-2.03,;2.77,-3.57,;-2.65,1.18,;-3.13,2.65,;-2.36,3.98,)|
Fc1ccc2nccc([C@H]3CC[C@H](Cc4nc5cc(ccc5[nH]4)C4CC4)CC3)c2c1 |r,wU:12.12,wD:9.8,(4.1,-.49,;4.1,-2.03,;5.44,-2.8,;5.44,-4.34,;4.1,-5.11,;4.1,-6.65,;2.77,-7.42,;1.44,-6.65,;1.44,-5.11,;.1,-4.34,;.1,-2.8,;-1.23,-2.03,;-2.56,-2.8,;-3.9,-2.03,;-3.9,-.49,;-2.65,.41,;-3.13,1.88,;-2.36,3.21,;-3.13,4.55,;-4.67,4.55,;-5.44,3.21,;-4.67,1.88,;-5.14,.41,;-2.36,5.88,;-1.02,6.65,;-2.36,7.42,;-2.56,-4.34,;-1.23,-5.11,;2.77,-4.34,;2.77,-2.8,)|
Fc1ccc2nccc([C@@H]3CC[C@H](Cc4nc5cc(ccc5[nH]4)C4CC4)CC3)c2c1 |r,wU:12.12,9.8,(4.1,-.49,;4.1,-2.03,;5.44,-2.8,;5.44,-4.34,;4.1,-5.11,;4.1,-6.65,;2.77,-7.42,;1.44,-6.65,;1.44,-5.11,;.1,-4.34,;.1,-2.8,;-1.23,-2.03,;-2.56,-2.8,;-3.9,-2.03,;-3.9,-.49,;-2.65,.41,;-3.13,1.88,;-2.36,3.21,;-3.13,4.55,;-4.67,4.55,;-5.44,3.21,;-4.67,1.88,;-5.14,.41,;-2.36,5.88,;-1.02,6.65,;-2.36,7.42,;-2.56,-4.34,;-1.23,-5.11,;2.77,-4.34,;2.77,-2.8,)|
Fc1ccc2nccc([C@H]3CC[C@H](Cc4nc5cc(F)c(F)cc5[nH]4)CC3)c2c1 |r,wU:12.12,wD:9.8,(4.1,.28,;4.1,-1.26,;5.44,-2.03,;5.44,-3.57,;4.1,-4.34,;4.1,-5.88,;2.77,-6.65,;1.44,-5.88,;1.44,-4.34,;.1,-3.57,;.1,-2.03,;-1.23,-1.26,;-2.56,-2.03,;-3.9,-1.26,;-3.9,.28,;-2.65,1.18,;-3.13,2.65,;-2.36,3.98,;-3.13,5.32,;-2.36,6.65,;-4.67,5.32,;-5.44,6.65,;-5.44,3.98,;-4.67,2.65,;-5.14,1.18,;-2.56,-3.57,;-1.23,-4.34,;2.77,-3.57,;2.77,-2.03,)|
Fc1ccc2nccc([C@@H]3CC[C@H](Cc4nc5cc(F)c(F)cc5[nH]4)CC3)c2c1 |r,wU:12.12,9.8,(4.1,.28,;4.1,-1.26,;5.44,-2.03,;5.44,-3.57,;4.1,-4.34,;4.1,-5.88,;2.77,-6.65,;1.44,-5.88,;1.44,-4.34,;.1,-3.57,;.1,-2.03,;-1.23,-1.26,;-2.56,-2.03,;-3.9,-1.26,;-3.9,.28,;-2.65,1.18,;-3.13,2.65,;-2.36,3.98,;-3.13,5.32,;-2.36,6.65,;-4.67,5.32,;-5.44,6.65,;-5.44,3.98,;-4.67,2.65,;-5.14,1.18,;-2.56,-3.57,;-1.23,-4.34,;2.77,-3.57,;2.77,-2.03,)|
Cc1cc2nc(C[C@H]3CC[C@@H](CC3)c3ccnc4ccc(F)cc34)[nH]c2cc1C |r,wU:7.6,wD:10.13,(-2.36,6.65,;-3.13,5.32,;-2.36,3.98,;-3.13,2.65,;-2.65,1.18,;-3.9,.28,;-3.9,-1.26,;-2.56,-2.03,;-1.23,-1.26,;.1,-2.03,;.1,-3.57,;-1.23,-4.34,;-2.56,-3.57,;1.44,-4.34,;1.44,-5.88,;2.77,-6.65,;4.1,-5.88,;4.1,-4.34,;5.44,-3.57,;5.44,-2.03,;4.1,-1.26,;4.1,.28,;2.77,-2.03,;2.77,-3.57,;-5.14,1.18,;-4.67,2.65,;-5.44,3.98,;-4.67,5.32,;-5.44,6.65,)|
Cc1cc2nc(C[C@H]3CC[C@H](CC3)c3ccnc4ccc(F)cc34)[nH]c2cc1C |r,wU:7.6,10.13,(-2.36,6.65,;-3.13,5.32,;-2.36,3.98,;-3.13,2.65,;-2.65,1.18,;-3.9,.28,;-3.9,-1.26,;-2.56,-2.03,;-1.23,-1.26,;.1,-2.03,;.1,-3.57,;-1.23,-4.34,;-2.56,-3.57,;1.44,-4.34,;1.44,-5.88,;2.77,-6.65,;4.1,-5.88,;4.1,-4.34,;5.44,-3.57,;5.44,-2.03,;4.1,-1.26,;4.1,.28,;2.77,-2.03,;2.77,-3.57,;-5.14,1.18,;-4.67,2.65,;-5.44,3.98,;-4.67,5.32,;-5.44,6.65,)|
Clc1ccc2[nH]c(C[C@H]3CC[C@@H](CC3)c3ccnc4ccccc34)nc2c1 |r,wU:8.7,wD:11.14,(-2.36,6.65,;-3.13,5.32,;-4.67,5.32,;-5.44,3.98,;-4.67,2.65,;-5.14,1.18,;-3.9,.28,;-3.9,-1.26,;-2.56,-2.03,;-1.23,-1.26,;.1,-2.03,;.1,-3.57,;-1.23,-4.34,;-2.56,-3.57,;1.44,-4.34,;1.44,-5.88,;2.77,-6.65,;4.1,-5.88,;4.1,-4.34,;5.44,-3.57,;5.44,-2.03,;4.1,-1.26,;2.77,-2.03,;2.77,-3.57,;-2.65,1.18,;-3.13,2.65,;-2.36,3.98,)|
Clc1ccc2[nH]c(C[C@H]3CC[C@H](CC3)c3ccnc4ccccc34)nc2c1 |r,wU:8.7,11.14,(-2.36,6.65,;-3.13,5.32,;-4.67,5.32,;-5.44,3.98,;-4.67,2.65,;-5.14,1.18,;-3.9,.28,;-3.9,-1.26,;-2.56,-2.03,;-1.23,-1.26,;.1,-2.03,;.1,-3.57,;-1.23,-4.34,;-2.56,-3.57,;1.44,-4.34,;1.44,-5.88,;2.77,-6.65,;4.1,-5.88,;4.1,-4.34,;5.44,-3.57,;5.44,-2.03,;4.1,-1.26,;2.77,-2.03,;2.77,-3.57,;-2.65,1.18,;-3.13,2.65,;-2.36,3.98,)|
Fc1ccc2nccc(C3CCC(Cc4nc5cc(Cl)c(Cl)cc5[nH]4)CC3)c2c1 |(4.1,.28,;4.1,-1.26,;5.44,-2.03,;5.44,-3.57,;4.1,-4.34,;4.1,-5.88,;2.77,-6.65,;1.44,-5.88,;1.44,-4.34,;.1,-3.57,;.1,-2.03,;-1.23,-1.26,;-2.56,-2.03,;-3.9,-1.26,;-3.9,.28,;-2.65,1.18,;-3.13,2.65,;-2.36,3.98,;-3.13,5.32,;-2.36,6.65,;-4.67,5.32,;-5.44,6.65,;-5.44,3.98,;-4.67,2.65,;-5.14,1.18,;-2.56,-3.57,;-1.23,-4.34,;2.77,-3.57,;2.77,-2.03,)|
COC(=O)c1ccc2[nH]c(CC3CCC(CC3)c3ccnc4ccc(F)cc34)nc2c1 |(-.05,7.32,;-.82,5.98,;-2.36,5.98,;-3.13,7.32,;-3.13,4.65,;-4.67,4.65,;-5.44,3.32,;-4.67,1.98,;-5.14,.52,;-3.9,-.39,;-3.9,-1.93,;-2.56,-2.7,;-1.23,-1.93,;.1,-2.7,;.1,-4.24,;-1.23,-5.01,;-2.56,-4.24,;1.44,-5.01,;1.44,-6.55,;2.77,-7.32,;4.1,-6.55,;4.1,-5.01,;5.44,-4.24,;5.44,-2.7,;4.1,-1.93,;4.1,-.39,;2.77,-2.7,;2.77,-4.24,;-2.65,.52,;-3.13,1.98,;-2.36,3.32,)|
OC(=O)c1ccc2[nH]c(CC3CCC(CC3)c3ccnc4ccc(F)cc34)nc2c1 |(-.82,5.98,;-2.36,5.98,;-3.13,7.32,;-3.13,4.65,;-4.67,4.65,;-5.44,3.32,;-4.67,1.98,;-5.14,.52,;-3.9,-.39,;-3.9,-1.93,;-2.56,-2.7,;-1.23,-1.93,;.1,-2.7,;.1,-4.24,;-1.23,-5.01,;-2.56,-4.24,;1.44,-5.01,;1.44,-6.55,;2.77,-7.32,;4.1,-6.55,;4.1,-5.01,;5.44,-4.24,;5.44,-2.7,;4.1,-1.93,;4.1,-.39,;2.77,-2.7,;2.77,-4.24,;-2.65,.52,;-3.13,1.98,;-2.36,3.32,)|
Cc1ccc2[nH]c(CC3CCC(CC3)c3ccc4ccccc4n3)nc2c1 |(-3.02,6.44,;-3.79,5.11,;-5.33,5.11,;-6.1,3.77,;-5.33,2.44,;-5.81,.98,;-4.56,.07,;-4.56,-1.47,;-3.23,-2.24,;-1.9,-1.47,;-.56,-2.24,;-.56,-3.78,;-1.9,-4.55,;-3.23,-3.78,;.77,-4.55,;.77,-6.09,;2.1,-6.86,;3.44,-6.09,;4.77,-6.86,;6.1,-6.09,;6.1,-4.55,;4.77,-3.78,;3.44,-4.55,;2.1,-3.78,;-3.32,.98,;-3.79,2.44,;-3.02,3.77,)|
Cc1ccc2[nH]c(CC3CCC(CC3)c3cnc4ccccc4c3)nc2c1 |(-3.02,6.44,;-3.79,5.11,;-5.33,5.11,;-6.1,3.77,;-5.33,2.44,;-5.81,.98,;-4.56,.07,;-4.56,-1.47,;-3.23,-2.24,;-1.9,-1.47,;-.56,-2.24,;-.56,-3.78,;-1.9,-4.55,;-3.23,-3.78,;.77,-4.55,;.77,-6.09,;2.1,-6.86,;3.44,-6.09,;4.77,-6.86,;6.1,-6.09,;6.1,-4.55,;4.77,-3.78,;3.44,-4.55,;2.1,-3.78,;-3.32,.98,;-3.79,2.44,;-3.02,3.77,)|
C(C1CCC(CC1)c1ccc2ccccc2n1)c1nc2ccccc2[nH]1 |(-4.56,-.59,;-3.23,-1.36,;-1.9,-.59,;-.56,-1.36,;-.56,-2.9,;-1.9,-3.67,;-3.23,-2.9,;.77,-3.67,;.77,-5.21,;2.1,-5.98,;3.44,-5.21,;4.77,-5.98,;6.1,-5.21,;6.1,-3.67,;4.77,-2.9,;3.44,-3.67,;2.1,-2.9,;-4.56,.95,;-3.32,1.85,;-3.79,3.32,;-3.02,4.65,;-3.79,5.98,;-5.33,5.98,;-6.1,4.65,;-5.33,3.32,;-5.81,1.85,)|
COc1ccc2[nH]c(CC3CCC(CC3)c3ccc4ccccc4n3)nc2c1 |(-1.48,6.65,;-3.02,6.65,;-3.79,5.32,;-5.33,5.32,;-6.1,3.98,;-5.33,2.65,;-5.81,1.18,;-4.56,.28,;-4.56,-1.26,;-3.23,-2.03,;-1.9,-1.26,;-.56,-2.03,;-.56,-3.57,;-1.9,-4.34,;-3.23,-3.57,;.77,-4.34,;.77,-5.88,;2.1,-6.65,;3.44,-5.88,;4.77,-6.65,;6.1,-5.88,;6.1,-4.34,;4.77,-3.57,;3.44,-4.34,;2.1,-3.57,;-3.32,1.18,;-3.79,2.65,;-3.02,3.98,)|
Clc1ccc2[nH]c(CC3CCC(CC3)c3cccc4ncccc34)nc2c1 |(-2.36,6.65,;-3.13,5.32,;-4.67,5.32,;-5.44,3.98,;-4.67,2.65,;-5.14,1.18,;-3.9,.28,;-3.9,-1.26,;-2.56,-2.03,;-1.23,-1.26,;.1,-2.03,;.1,-3.57,;-1.23,-4.34,;-2.56,-3.57,;1.44,-4.34,;1.44,-5.88,;2.77,-6.65,;4.1,-5.88,;4.1,-4.34,;5.44,-3.57,;5.44,-2.03,;4.1,-1.26,;2.77,-2.03,;2.77,-3.57,;-2.65,1.18,;-3.13,2.65,;-2.36,3.98,)|
Clc1ccc2[nH]c(C[C@H]3CC[C@@H](CC3)c3ccc4ncccc4c3)nc2c1 |r,wU:11.14,wD:8.7,(-3.02,6.65,;-3.79,5.32,;-5.33,5.32,;-6.1,3.98,;-5.33,2.65,;-5.81,1.18,;-4.56,.28,;-4.56,-1.26,;-3.23,-2.03,;-3.23,-3.57,;-1.9,-4.34,;-.56,-3.57,;-.56,-2.03,;-1.9,-1.26,;.77,-4.34,;.77,-5.88,;2.1,-6.65,;3.44,-5.88,;4.77,-6.65,;6.1,-5.88,;6.1,-4.34,;4.77,-3.57,;3.44,-4.34,;2.1,-3.57,;-3.32,1.18,;-3.79,2.65,;-3.02,3.98,)|
Clc1ccc2[nH]c(C[C@H]3CC[C@H](CC3)c3ccc4ncccc4c3)nc2c1 |r,wD:11.14,8.7,(-3.02,6.65,;-3.79,5.32,;-5.33,5.32,;-6.1,3.98,;-5.33,2.65,;-5.81,1.18,;-4.56,.28,;-4.56,-1.26,;-3.23,-2.03,;-3.23,-3.57,;-1.9,-4.34,;-.56,-3.57,;-.56,-2.03,;-1.9,-1.26,;.77,-4.34,;.77,-5.88,;2.1,-6.65,;3.44,-5.88,;4.77,-6.65,;6.1,-5.88,;6.1,-4.34,;4.77,-3.57,;3.44,-4.34,;2.1,-3.57,;-3.32,1.18,;-3.79,2.65,;-3.02,3.98,)|
Fc1ccc(cc1)[C@H]1CC[C@H](Cc2nc3cc(Cl)ccc3[nH]2)CC1 |r,wU:7.7,wD:10.11,(5.44,-6.65,;4.1,-5.88,;4.1,-4.34,;2.77,-3.57,;1.44,-4.34,;1.44,-5.88,;2.77,-6.65,;.1,-3.57,;-1.23,-4.34,;-2.56,-3.57,;-2.56,-2.03,;-3.9,-1.26,;-3.9,.28,;-2.65,1.18,;-3.13,2.65,;-2.36,3.98,;-3.13,5.32,;-2.36,6.65,;-4.67,5.32,;-5.44,3.98,;-4.67,2.65,;-5.14,1.18,;-1.23,-1.26,;.1,-2.03,)|
Fc1ccc(cc1)[C@@H]1CC[C@H](Cc2nc3cc(Cl)ccc3[nH]2)CC1 |r,wD:7.7,10.11,(5.44,-6.65,;4.1,-5.88,;4.1,-4.34,;2.77,-3.57,;1.44,-4.34,;1.44,-5.88,;2.77,-6.65,;.1,-3.57,;-1.23,-4.34,;-2.56,-3.57,;-2.56,-2.03,;-3.9,-1.26,;-3.9,.28,;-2.65,1.18,;-3.13,2.65,;-2.36,3.98,;-3.13,5.32,;-2.36,6.65,;-4.67,5.32,;-5.44,3.98,;-4.67,2.65,;-5.14,1.18,;-1.23,-1.26,;.1,-2.03,)|
C(C1CCC(CC1)c1ccccc1)c1nc2ccccc2[nH]1 |(.59,-3.23,;1.36,-1.9,;2.9,-1.9,;3.67,-.56,;2.9,.77,;1.36,.77,;.59,-.56,;3.67,2.1,;5.21,2.1,;5.98,3.44,;5.21,4.77,;3.67,4.77,;2.9,3.44,;-.95,-3.23,;-1.85,-1.99,;-3.32,-2.46,;-4.65,-1.69,;-5.98,-2.46,;-5.98,-4,;-4.65,-4.77,;-3.32,-4,;-1.85,-4.48,)|
FC(F)(F)c1ccc2[nH]c(C[C@H]3CC[C@@H](CC3)c3ccccc3)nc2c1 |r,wU:11.10,wD:14.17,(-6.65,-.15,;-6.65,-1.69,;-7.98,-2.46,;-7.98,-.92,;-5.32,-2.46,;-5.32,-4,;-3.98,-4.77,;-2.65,-4,;-1.18,-4.48,;-.28,-3.23,;1.26,-3.23,;2.03,-1.9,;1.26,-.56,;2.03,.77,;3.57,.77,;4.34,-.56,;3.57,-1.9,;4.34,2.1,;5.88,2.1,;6.65,3.44,;5.88,4.77,;4.34,4.77,;3.57,3.44,;-1.18,-1.99,;-2.65,-2.46,;-3.98,-1.69,)|
FC(F)(F)c1ccc2[nH]c(C[C@H]3CC[C@H](CC3)c3ccccc3)nc2c1 |r,wU:11.10,14.17,(-6.65,-.15,;-6.65,-1.69,;-7.98,-2.46,;-7.98,-.92,;-5.32,-2.46,;-5.32,-4,;-3.98,-4.77,;-2.65,-4,;-1.18,-4.48,;-.28,-3.23,;1.26,-3.23,;2.03,-1.9,;1.26,-.56,;2.03,.77,;3.57,.77,;4.34,-.56,;3.57,-1.9,;4.34,2.1,;5.88,2.1,;6.65,3.44,;5.88,4.77,;4.34,4.77,;3.57,3.44,;-1.18,-1.99,;-2.65,-2.46,;-3.98,-1.69,)|
Clc1ccc2[nH]c(C[C@H]3CC[C@@H](CC3)c3ccccc3)nc2c1 |r,wU:8.7,wD:11.14,(-6.65,-1.69,;-5.32,-2.46,;-5.32,-4,;-3.98,-4.77,;-2.65,-4,;-1.18,-4.48,;-.28,-3.23,;1.26,-3.23,;2.03,-1.9,;1.26,-.56,;2.03,.77,;3.57,.77,;4.34,-.56,;3.57,-1.9,;4.34,2.1,;5.88,2.1,;6.65,3.44,;5.88,4.77,;4.34,4.77,;3.57,3.44,;-1.18,-1.99,;-2.65,-2.46,;-3.98,-1.69,)|
Clc1ccc2[nH]c(C[C@H]3CC[C@H](CC3)c3ccccc3)nc2c1 |r,wU:8.7,11.14,(-6.65,-1.69,;-5.32,-2.46,;-5.32,-4,;-3.98,-4.77,;-2.65,-4,;-1.18,-4.48,;-.28,-3.23,;1.26,-3.23,;2.03,-1.9,;1.26,-.56,;2.03,.77,;3.57,.77,;4.34,-.56,;3.57,-1.9,;4.34,2.1,;5.88,2.1,;6.65,3.44,;5.88,4.77,;4.34,4.77,;3.57,3.44,;-1.18,-1.99,;-2.65,-2.46,;-3.98,-1.69,)|
Clc1cccc2[nH]c(C[C@H]3CC[C@H](CC3)c3ccccc3)nc12 |r,wU:9.8,12.15,(-4.65,-.15,;-4.65,-1.69,;-5.98,-2.46,;-5.98,-4,;-4.65,-4.77,;-3.32,-4,;-1.85,-4.48,;-.95,-3.23,;.59,-3.23,;1.36,-1.9,;.59,-.56,;1.36,.77,;2.9,.77,;3.67,-.56,;2.9,-1.9,;3.67,2.1,;5.21,2.1,;5.98,3.44,;5.21,4.77,;3.67,4.77,;2.9,3.44,;-1.85,-1.99,;-3.32,-2.46,)|
Fc1cc2nc(C[C@H]3CC[C@@H](CC3)c3ccccc3)[nH]c2cc1Br |r,wU:7.6,wD:10.13,(-6.65,-1.69,;-5.32,-2.46,;-3.98,-1.69,;-2.65,-2.46,;-1.18,-1.99,;-.28,-3.23,;1.26,-3.23,;2.03,-1.9,;1.26,-.56,;2.03,.77,;3.57,.77,;4.34,-.56,;3.57,-1.9,;4.34,2.1,;5.88,2.1,;6.65,3.44,;5.88,4.77,;4.34,4.77,;3.57,3.44,;-1.18,-4.48,;-2.65,-4,;-3.98,-4.77,;-5.32,-4,;-6.65,-4.77,)|
Fc1cc2nc(C[C@H]3CC[C@H](CC3)c3ccccc3)[nH]c2cc1Br |r,wU:10.13,7.6,(-6.65,-1.69,;-5.32,-2.46,;-3.98,-1.69,;-2.65,-2.46,;-1.18,-1.99,;-.28,-3.23,;1.26,-3.23,;2.03,-1.9,;1.26,-.56,;2.03,.77,;3.57,.77,;4.34,-.56,;3.57,-1.9,;4.34,2.1,;5.88,2.1,;6.65,3.44,;5.88,4.77,;4.34,4.77,;3.57,3.44,;-1.18,-4.48,;-2.65,-4,;-3.98,-4.77,;-5.32,-4,;-6.65,-4.77,)|
Nc1cc(Cl)ccc1NC(=O)CCN1CCC(CC1)c1ccnc2ccc(F)cc12
Nc1ccc(Cl)cc1NC(=O)CC1CCN(CC1)c1ccnc2ccccc12
Fc1ccc2nccc(N3CCC(Cc4nc5cc(Cl)ccc5[nH]4)CC3)c2c1
Brc1ccc2[nH]c(cc2c1)-c1cncn1Cc1ccccc1
C(c1ccccc1)n1cncc1-c1cc2ccccc2[nH]1
Brc1ccc2[nH]c(cc2c1)-c1cncn1Cc1ccc(cc1)-c1ccccc1
COc1ccc(Cn2cncc2-c2cc3cc(Br)ccc3[nH]2)cc1
FC(F)(F)c1ccc(Cn2cncc2-c2cc3cc(Br)ccc3[nH]2)cc1
Brc1ccc2[nH]c(cc2c1)-c1cncn1Cc1ccc(cc1)C#N
Brc1ccc2[nH]c(cc2c1)-c1cncn1CC1CCCCN1
OC(Cn1cncc1-c1cc2cc(Br)ccc2[nH]1)c1ccccc1
Nc1ccccc1Cn1cncc1-c1cc2cc(Br)ccc2[nH]1
Oc1ccccc1Cn1cncc1-c1cc2cc(Br)ccc2[nH]1
Oc1cccc(Cn2cncc2-c2cc3cc(Br)ccc3[nH]2)c1
C(c1cc2ccccc2[nH]1)n1cncc1-c1ccccc1
Brc1ccc2[nH]c(Cn3cncc3-c3ccccc3)cc2c1
Oc1ccccc1-c1cncn1Cc1cc2cc(Br)ccc2[nH]1
Oc1ccc(F)cc1-c1cncn1Cc1cc2cc(Br)ccc2[nH]1
Oc1ccc(Cl)cc1-c1cncn1Cc1cc2cc(Br)ccc2[nH]1
Oc1ccccc1-c1cncn1Cc1cc2cc(F)ccc2[nH]1
Oc1cccc(c1)-c1cncn1Cc1cc2cc(F)ccc2[nH]1
Oc1ccc(cc1)-c1cncn1Cc1cc2cc(F)ccc2[nH]1
Oc1c(Cl)cccc1-c1cncn1Cc1cc2cc(F)ccc2[nH]1
Oc1cc(Cl)ccc1-c1cncn1Cc1cc2cc(F)ccc2[nH]1
Oc1cccc(Cl)c1-c1cncn1Cc1cc2cc(F)ccc2[nH]1 |(46.28,-28.5,;46.75,-27.03,;45.72,-25.9,;46.19,-24.42,;47.7,-24.1,;48.73,-25.25,;50.24,-24.93,;48.25,-26.71,;49.28,-27.85,;48.95,-29.36,;50.29,-30.13,;51.43,-29.1,;50.8,-27.69,;51.57,-26.36,;53.11,-26.36,;54.02,-25.12,;55.48,-25.6,;56.81,-24.82,;58.15,-25.58,;59.48,-24.81,;58.15,-27.14,;56.82,-27.91,;55.48,-27.14,;54.02,-27.61,)|
Oc1ccc(F)cc1-c1cncn1Cc1cc2cc(F)ccc2[nH]1
Oc1ccc(Cl)cc1-c1cncn1Cc1cc2cc(F)ccc2[nH]1
Brc1ccc2[nH]c(Cn3cncc3-c3ccc[nH]3)cc2c1
Fc1ccc2[nH]c(Cn3cncc3-c3ccc[nH]3)cc2c1
NS(=O)(=O)CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CNS(=O)(=O)CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CCNS(=O)(=O)CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CC(C)NS(=O)(=O)CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
OCCNS(=O)(=O)CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CN(C)CCNS(=O)(=O)CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCS(=O)(=O)NC1CC1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCS(=O)(=O)NC1CCC1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCS(=O)(=O)NC1CCCC1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCS(=O)(=O)NCCF
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCS(=O)(=O)NCC(F)F
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCS(=O)(=O)NCC(F)(F)F
CONS(=O)(=O)CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CN(C)NS(=O)(=O)CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CN(C)S(=O)(=O)CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCS(=O)(=O)N1CCC1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCS(=O)(=O)N1CCCC1 |$;;;N;;;;;;;;;;;;;;N;;;;;;;;;;$|
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCS(=O)(=O)N1CCOCC1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCS(=O)(=O)N1CCNCC1
CN1CCN(CC1)S(=O)(=O)CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NS(=O)(=O)CCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CNS(=O)(=O)CCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CCNS(=O)(=O)CCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CC(C)NS(=O)(=O)CCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCCS(=O)(=O)NC1CCCCC1
CS(=O)(=O)NCCCNc1nonc1\C(Nc1cccc(c1)C(F)(F)F)=N\O |w:27.28|
Cc1ccc2c(=O)n3c(nc2c1)C(=O)c1cc([N+](=O)[O-])ccc1-3
O=C1c2cc([N+](=O)[O-])ccc2-n2c1nc1cc(F)ccc1c2=O
N#Cc1ccc2c(c1)C(=O)c1nc3cc(Cl)ccc3c(=O)n1-2
O=C(O)c1ccc2c(c1)C(=O)c1nc3cc(Cl)ccc3c(=O)n1-2
Nc1ccc2c(c1)C(=O)c1nc3cc(Cl)ccc3c(=O)n1-2
COC(=O)c1ccc2c(c1)C(=O)c1nc3cc(Cl)ccc3c(=O)n1-2
CC(=O)Nc1ccc2c(c1)C(=O)c1nc3cc(Cl)ccc3c(=O)n1-2
NC(=O)c1ccc2c(c1)C(=O)c1nc3cc(Cl)ccc3c(=O)n1-2
COP(C)(=O)NCCC(=O)Nc1ccc2c(c1)C(=O)c1nc3cc(Cl)ccc3c(=O)n1-2
NCCNC(=O)c1ccc2c(c1)C(=O)c1nc3cc(Cl)ccc3c(=O)n1-2
O=C1c2cc([N+](=O)[O-])ccc2-n2c1nc1cc(F)cc(F)c1c2=O
N#Cc1ccc2c(c1)C(=O)c1nc3cc(F)ccc3c(=O)n1-2
NS(=O)(=O)NCCNC(=O)c1ccc2c(c1)C(=O)c1nc3cc(Cl)ccc3c(=O)n1-2
CS(=O)(=O)c1ccc2c(c1)C(=O)c1nc3cc(F)ccc3c(=O)n1-2
CN1CCN(Cc2ccc3c(=O)n4c(nc3c2)C(=O)c2cc(F)ccc2-4)CC1
Nc1ccc2c(=O)n3c(nc2c1)C(=O)c1cc([N+](=O)[O-])ccc1-3
CC(C)(C)OC(=O)Nc1ccc2c(=O)n3c(nc2c1)C(=O)c1cc([N+](=O)[O-])ccc1-3
O=C1c2cc(Br)ccc2-n2c1nc1cc(F)ccc1c2=O
NCCNC(=O)c1ccc2c(c1)C(=O)c1nc3cc(Cl)cc(Cl)c3c(=O)n1-2
CNC(=O)c1ccc2c(c1)C(=O)c1nc3cc(Cl)cc(Cl)c3c(=O)n1-2
O=[N+]([O-])c1ccc2c(c1)C(O)C1Nc3cc(F)ccc3CN21
O=C(O)c1ccc2c(c1)C(=O)c1nc3cc(Cl)cc(Cl)c3c(=O)n1-2
NC(=O)c1ccc2c(c1)C(=O)c1nc3cc(Cl)cc(Cl)c3c(=O)n1-2
CN(C)C(=O)c1ccc2c(c1)C(=O)c1nc3cc(Cl)cc(Cl)c3c(=O)n1-2
O=C1c2cc(C(=O)N3CCNCC3)ccc2-n2c1nc1cc(Cl)cc(Cl)c1c2=O
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)c2nc4cc(Cl)cc(Cl)c4c(=O)n2-3)CC1
NS(=O)(=O)c1ccc2c(c1)C(=O)c1nc3cc(F)ccc3c(=O)n1-2
O=C1c2cc(SCc3ccccc3)ccc2-n2c1nc1cc(F)ccc1c2=O
NS(=O)(=O)NCCNC(=O)c1ccc2c(c1)C(=O)c1nc3cc(Cl)cc(Cl)c3c(=O)n1-2
Cc1c(F)ccc2c(=O)n3c(nc12)C(=O)c1cc([N+](=O)[O-])ccc1-3
N#Cc1ccc2c(c1)C(O)C1Nc3cc(F)ccc3C(=O)N21
O=C1c2c(F)cc(F)cc2NC2C(O)c3cc([N+](=O)[O-])ccc3N12
O=C1c2cc(S(=O)(=O)Cc3ccccc3)ccc2-n2c1nc1cc(F)ccc1c2=O
O=c1c2c(F)cc(F)cc2nc2n1-c1ccc([N+](=O)[O-])cc1C2
O=C1c2cc([N+](=O)[O-])ccc2-n2c1nc1c(Br)c(F)ccc1c2=O
O=C1c2cc([N+](=O)[O-])ccc2-n2c1nc1c(Cl)cccc1c2=O
O=C1c2cc([N+](=O)[O-])ccc2-n2c1nc1cccc(F)c1c2=O
Cc1cccc2nc3n(c(=O)c12)-c1ccc([N+](=O)[O-])cc1C3=O
O=c1c2c(Cl)cccc2[nH]c2cc3cc([N+](=O)[O-])ccc3n12
Cc1ccc(F)c2c(=O)n3c(nc12)C(=O)c1cc([N+](=O)[O-])ccc1-3
O=C1c2cc([N+](=O)[O-])ccc2-n2c1nc1c(F)cccc1c2=O
Cc1cccc2c(=O)n3c(nc12)C(=O)c1cc([N+](=O)[O-])ccc1-3
O=C1c2cc([N+](=O)[O-])ccc2-n2c1nc1c(Br)cccc1c2=O
O=C1c2cc(F)ccc2-n2c1nc1c(Br)cccc1c2=O
O=C1c2cc([N+](=O)[O-])ccc2-n2c1nc1c(Br)cc(F)cc1c2=O
N#Cc1ccc2c(c1)C(=O)c1nc3c(Br)cccc3c(=O)n1-2
O=C1c2cc([N+](=O)[O-])ccc2-n2c1nc1c(Br)cc(Cl)cc1c2=O
Cc1cc(C)c2nc3n(c(=O)c2c1)-c1ccc([N+](=O)[O-])cc1C3=O
Cc1cc(F)cc2c(=O)n3c(nc12)C(=O)c1cc([N+](=O)[O-])ccc1-3
O=C1c2cc([N+](=O)[O-])ccc2-n2c1nc1c(Br)c(Cl)ccc1c2=O
O=C1c2cc([N+](=O)[O-])ccc2-n2c1nc1cnc(O)cc1c2=O
Nc1noc2ncc(cc12)-c1ccccc1
COc1ccc2c(N)noc2n1
Cn1cc(C[C@@H](N)C(O)=O)c2ccccc12 |r|
Oc1cccc(c1)-c1csc(N\N=C2/CC(=O)c3ccccc23)n1
O=C1C\C(=N/Nc2nc(cs2)-c2ccccc2)c2ccccc12
COc1cccc(c1)-c1csc(N\N=C2/CC(=O)c3ccccc23)n1
O=C1C\C(=N/Nc2nc(cs2)-c2cccc(c2)C#N)c2ccccc12
O=C1C\C(=N/Nc2nc(cs2)C2CCCCC2)c2ccccc12
COc1ccc(cc1OC)-c1csc(N\N=C2/CC(=O)c3ccccc23)n1
c1nn[nH]c1-c1ccccc1
c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
Sc1nc(cs1)-c1ccccc1
Cc1ccc(cc1)-c1csc(S)n1
Sc1nc(cs1)-c1ccc(Cl)cc1
Brc1ccc(cc1)-c1csc(=S)[nH]1
Clc1ccc2c(cccc2c1)C1CC(=O)NC1=O
Clc1ccc2cccc(C3CC(=O)NC3=O)c2c1
Fc1cc2c(c[nH]c2cc1Cl)[C@@H]1CC(=O)NC1=O |r|
COc1ccc2[nH]cc(C3CC(=O)NC3=O)c2c1
COc1ccc2c(c[nH]c2c1)C1CC(=O)NC1=O
FC(F)(F)c1ccc2[nH]cc(C3CC(=O)NC3=O)c2c1
C[C@H]1\C=C\C=C/C=C(C)\C(=O)NC2=C(Cl)C(=O)c3c(cc(C)c(O)c3C(=O)\C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)\C=C\[C@@H](O)C\C=C(C)\C(=O)C[C@@H]1O)C2=O |r,c:4,12,42,t:2,6,29,37|
C[C@@H]1O[C@@H](Oc2cc3C(=O)C=C(NC(C)=O)C(=O)c3cc2C)[C@H](O)[C@H](O)[C@@H]1O |r,t:10|
NCC(O)COCC1COc2ccccc2O1
Cc1ccc(NCCNC(=O)c2c[nH]c3ccccc23)nn1
O=S(=O)(NCc1cccnc1)c1ccc2ccccc2c1
NC(=N)Sc1c[nH]c2ccccc12
CCc1cccc2sc(NCCN3CCOCC3)nc12
Cc1ccc(NCCNC(=O)c2cccc(Cl)c2)nn1
NCC(O)c1cccc2ccccc12
NC(S)=NNC(=O)Nc1ccc(Cl)c(Cl)c1
OC(C(O)c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1
COc1ccccc1OCC(O)Cn1cnc2ccccc12
COC(=O)C(N)c1ccc2ccccc2c1
COc1ccc(cc1)-c1cnc(CN)[nH]1
Cn1cc(C(O)CN)c2ccccc12
Cc1c(C)c2ccccc2n1CC(O)CN1CCNCC1
COc1ccccc1OCC(O)CNC1CCCC1
O=C(NCCn1ncccc1=O)c1ccc2ccccc2c1
NC(=O)c1csc(NC(=O)Cc2c[nH]c3ccccc23)c1
NCCc1nc2ccc(F)cc2[nH]1
NC(=O)CN1CCN(C(=O)C1=O)c1cccc2ccccc12
O=C(\C=C\N1CCOCC1)c1coc2ccccc12
NCC(O)c1cc(Cl)cc(Cl)c1
O=C(Cn1ccc2ccccc12)NC1CNC(=O)C1
CS(=O)(NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)=NC#N
c1cc(c(cc1N/C(=N\O)/c2c(non2)NCCNS(=O)(=O)N)Br)F
C[C@H](C1CCC(CC1)c2ccnc3c2cc(cc3)F)C(=O)Nc4ccc(cc4)Cl
Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
O\N=C(\CCC1CCCCC1)Nc1cccc(Cl)c1
NS(=O)(=O)NC1(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)CC1
Cc1ccc(cc1)-c1csc2nnc(SCC(=O)Nc3ccc4OCOc4c3)n12
Cc1ccc(Cn2cncc2-c2cc3cc(Br)ccc3[nH]2)cc1
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
Cc1ccc(NC(=O)Nc2cc(ccc2Nc2ccccc2C(C)(C)C)-c2ccccc2C(O)=O)cc1
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)N(C)c1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
COCCN(CCOC)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O
CC(C)CN(CC(C)C)c1ccc(cc1N1CCN(C1=O)c1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
CCN(C1CCCC1)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O
Cc1ccc(NC(=O)Nc2cc(ccc2Oc2ccccc2C(C)(C)C)-c2ccc(cc2)C(O)=O)cc1
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Cc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1NS(=O)(=O)C(F)(F)F
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1NS(C)(=O)=O
Cc1ccc(NC(=O)Nc2cc(ccc2N(CC2CC2)CC2CC2)-c2ccccc2C(O)=O)cc1
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O
CCCCN(CCCC)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O
CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O
Cc1ccc(NC(=O)Nc2cc(ccc2NC2CCCCC2)-c2ccccc2C(O)=O)cc1
CN(c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O)c1ccccc1C(C)(C)C
CC(C)CN(C(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O
CC(C)CN(CC(C)C)c1ccc(cc1N(C)C(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(=O)NS(C)(=O)=O
[H][C@@]12CCCC[C@]1([H])N(CCC2)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(=O)NS(=O)(=O)C(F)(F)F
Oc1ccccc1CC(=O)OCC(=O)NCc1cnc2scc(-c3ccc(Br)cc3)n12
CN(CC(=O)NCc1cnc2scc(-c3ccc(Br)cc3)n12)C(=O)Cc1ccccc1[N+]([O-])=O
CN(CC(=O)NCc1cnc2scc(-c3ccc(Br)cc3)n12)C(=O)Cc1ccccc1
CN(CC(=O)NCc1cnc2scc(-c3ccc(Br)cc3)n12)C(=O)Cc1cccc(O)c1
CN(CC(=O)NCc1cnc2scc(-c3ccc(Br)cc3)n12)C(=O)Cc1ccc(cc1)[N+]([O-])=O
Brc1ccc(cc1)-c1csc2ncc(CNC(=O)COC(=O)Cc3ccc(cc3)C#N)n12
Oc1ccc(CC(=O)OCC(=O)NCc2cnc3scc(-c4ccc(Br)cc4)n23)cc1
CN(CC(=O)NCc1cnc2scc(-c3ccc(Br)cc3)n12)C(=O)Cc1cccc(c1)[N+]([O-])=O
Brc1ccc(cc1)-c1csc2ncc(CNC(=O)Nc3ccc(cc3)C#N)n12
Brc1ccc(cc1)-c1csc2ncc(CNC(=O)COC(=O)Cc3ccccc3)n12
[O-][N+](=O)c1ccc2oc(=O)n(Cc3ccc(Cl)cc3)c2c1
OC(Cn1c2ccccc2oc1=O)c1ccc(F)cc1
Cn1cc(c2c1cccc2)C[C@@H](C(=O)O)N
Nc1nc2ccccc2n1C(=O)Cc1ccc(F)cc1
Nc1ccc2oc(=O)n(Cc3cccc(F)c3)c2c1
OC(Cn1c2ccccc2oc1=O)c1cccc(Cl)c1
Clc1ccc(cc1)C(=O)Cn1c2ccccc2oc1=O
OC(Cn1c2ccccc2[nH]c1=O)c1ccc(F)cc1
COc1ccc(NC(=O)n2c3cc(Cl)ccc3oc2=O)cc1
COc1ccc(CNC(=O)n2c3ccccc3oc2=O)cc1
Fc1ccc(CC(=O)n2c3cc(Cl)ccc3oc2=O)cc1
Fc1ccc(CC(=O)n2c3ccccc3oc2=O)cc1
Fc1ccc2oc(=O)n(Cc3ccc(Cl)cc3)c2c1
Fc1cccc(Cn2c3cc(F)ccc3oc2=O)c1
Fc1cccc(Cn2c3cc(Cl)ccc3oc2=O)c1
Clc1ccc(Cn2c3ccccc3oc2=O)cc1
Fc1cccc(Cn2c3ccccc3oc2=O)c1
OC(Cn1c2cc(Cl)ccc2oc1=O)c1cccc(Cl)c1
OC(Cn1c2cc(Cl)ccc2oc1=O)c1ccc(F)cc1
Clc1cccc(c1)C(=O)Cn1c2cc(Cl)ccc2oc1=O
Clc1ccc(cc1)C(=O)Cn1c2cc(Cl)ccc2oc1=O
Fc1ccc(cc1)C(=O)Cn1c2cc(Cl)ccc2oc1=O
Fc1ccc(cc1)C(=O)Cn1c2ccccc2oc1=O
[O-][N+](=O)c1ccc2oc(=O)n(Cc3cccc(F)c3)c2c1
OC(Cn1c2cc(Cl)ccc2oc1=O)c1ccc(Cl)cc1
Clc1ccc2oc(=O)n(CCc3ccccc3)c2c1
COc1cccc(CNC(=O)n2c3cc(Cl)ccc3oc2=O)c1
O=C(c1ccccc1)n1c2ccccc2oc1=O
Clc1ccc(Cn2c3cc(Cl)ccc3oc2=O)cc1
O=c1oc2ccccc2n1CCc1ccccc1
OC(Cn1c2ccccc2oc1=O)c1ccc(Cl)cc1
Clc1cccc(c1)C(=O)Cn1c2ccccc2oc1=O
CN1C(=S)NC(Cc2c[nH]c3ccccc23)C1=O
Fc1ccc(CNC(=O)CC2c3ccccc3-c3cncn23)cc1F
O=C(CC1c2ccccc2-c2cncn12)NCc1cnccn1
O=C(CC1c2ccccc2-c2cncn12)NCc1ccccc1
Clc1cccc(CNC(=O)CC2c3ccccc3-c3cncn23)c1
COc1ccc(CNC(=O)CC2c3ccccc3-c3cncn23)cc1
Oc1ccc(CNC(=O)CC2c3ccccc3-c3cncn23)cc1
CN(Cc1ccccc1)C(=O)CC1c2ccccc2-c2cncn12
OC(=O)c1ccc(CNC(=O)CC2c3ccccc3-c3cncn23)cc1
O=C(CC1c2ccccc2-c2cncn12)NCc1cccnc1
O=C(CC1c2ccccc2-c2cncn12)Nc1ccccc1
O=C(CC1c2ccccc2-c2cncn12)Nc1ccc2OCOc2c1
O=C(CC1c2ccccc2-c2cncn12)NC1CCCCC1
O=C(CC1c2ccccc2-c2cncn12)NCCc1ccccc1
O\N=C(\CC1c2ccccc2-c2cncn12)c1ccc(Cl)cc1
O=C(CC1c2ccccc2-c2cncn12)NCc1ccc2OCOc2c1
O=C(CC1c2ccccc2-c2cncn12)NCCc1ccccn1
O=C(CC1c2ccccc2-c2cncn12)NCc1ccc(cc1)C#N
Fc1ccc(CNC(=O)CC2c3ccccc3-c3cncn23)cc1Cl
CC(NC(=O)CC1c2ccccc2-c2cncn12)c1ccccc1
O=C(CC1c2ccccc2-c2cncn12)Nc1ccc2cn[nH]c2c1
COc1cccc(CCNC(=O)CC2c3ccccc3-c3cncn23)c1
Clc1ccc(C(Cn2ccnc2)OCc2ccc(Br)cc2)c(Cl)c1
Fc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
CC(C)(C)c1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Cc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Cc1ccccc1COC(Cn1ccnc1)c1ccc(Cl)cc1Cl
COc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
COc1cccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c1
Clc1ccc(C(Cn2ccnc2)OCc2ccccc2)c(Cl)c1
c1cc(c(cc1Cl)Cl)CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl
Cc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1C
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Cc1cccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c1
Fc1cccc(F)c1COC(Cn1ccnc1)c1ccc(Cl)cc1Cl
NC(=N)SCc1ccccc1
CCOC(=O)c1c2c(C(=O)c3cccnc3C2=O)n2ccccc12
OC(=O)c1c2c(C(=O)c3ncccc3C2=O)n2ccc(I)cc12
COc1ccn2c3c(c(C(O)=O)c2c1)C(=O)c1cccnc1C3=O
CSc1ccn2c3c(c(C(=O)NCCN(C)C)c2c1)C(=O)c1ncccc1C3=O
Cc1ccccc1NC(=O)c1c2c(C(=O)c3cccnc3C2=O)n2ccccc12
COC(=O)c1c2c(C(=O)c3cccc(O)c3C2=O)n2ccccc12
COC(=O)c1c2c(C(=O)c3cccnc3C2=O)n2ccccc12
CN(C)CCNC(=O)c1c2c(C(=O)c3cccnc3C2=O)n2ccccc12
O=C(Nc1ccccc1)c1c2c(C(=O)c3ncccc3C2=O)n2ccccc12
NS(=O)(=O)NCCNC1=NON\C1=C(\NO)Nc1ccc(F)c(Br)c1 |t:8|
CSc1ccn2c3c(c(C(=O)NCCN(C)C)c2c1)C(=O)c1cccnc1C3=O
[O-]C(=O)c1cccc(NC(=O)c2c3c(C(=O)c4cccnc4C3=O)n3ccccc23)c1
[O-]C(=O)c1cccc(NC(=O)c2c3c(C(=O)c4ncccc4C3=O)n3ccccc23)c1
OC(=O)c1c2c(C(=O)c3ccccc3C2=O)n2ccccc12
COC(=O)c1c2c(C(=O)c3ncccc3C2=O)n2ccccc12
OC(=O)c1c2c(C(=O)c3ncccc3C2=O)n2ccccc12
OC(=O)c1c2c(C(=O)c3cccnc3C2=O)n2ccccc12
Cc1ccn2c3c(c(C(O)=O)c2c1)C(=O)c1cccnc1C3=O
NC(=S)NNC(=O)c1c2c(C(=O)c3ncccc3C2=O)n2ccccc12
O=C(Nc1ccccc1)c1c2c(C(=O)c3cccnc3C2=O)n2ccccc12
Cc1ccccc1NC(=O)c1c2c(C(=O)c3ncccc3C2=O)n2ccccc12
COC(=O)c1c2c(C(=O)c3ccccc3C2=O)n2ccccc12
CN(C)CCNC(=O)c1c2c(C(=O)c3ncccc3C2=O)n2ccccc12
CCOC(=O)c1c2c(C(=O)c3ccccc3C2=O)n2ccccc12
OC(=O)c1c2c(C(=O)c3cccnc3C2=O)n2ccc(I)cc12
ONC(=O)\C=C\c1ccc(cc1)C(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
ONC(=O)CCCC(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
ONC(=O)CCCCCCC(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
ONC(=O)CCCCC(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
ONC(=O)CCCCCCn1cc(nn1)-c1ccc(cc1)C(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
Nc1ccccc1NC(=O)c1ccc(cn1)C(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
Nc1ccccc1NC(=O)c1ccc(cc1)C(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
ONC(=O)\C=C\c1cccc(c1)C(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
ONC(=O)CCCCCC(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O=C1c2sc(nc2C(=O)c2ncccc12)-c1cscn1
O=C1c2nc([nH]c2C(=O)c2ccccc12)-c1ncc[nH]1
O=C1c2nc([nH]c2C(=O)c2ccccc12)-c1cscn1
O=C1c2nc([nH]c2C(=O)c2ccccc12)-c1cncs1
Clc1cc(ccn1)-c1nc2c([nH]1)C(=O)c1ccccc1C2=O
COc1cc(ccn1)-c1nc2c([nH]1)C(=O)c1ccccc1C2=O
O=C1c2nc([nH]c2C(=O)c2ccccc12)-c1ccncc1
[O-][N+](=O)c1ccc(cc1)-c1nc2c([nH]1)C(=O)c1ccccc1C2=O
Clc1cccc(c1)-c1nc2c([nH]1)C(=O)c1ccccc1C2=O
O=C1c2nc([nH]c2C(=O)c2ccccc12)-c1ccnc2ccccc12
O=C1c2nc([nH]c2C(=O)c2ccccc12)-c1ccc(cc1)C#N
Clc1cccc(Cn2c(nc3c2C(=O)c2ccccc2C3=O)-c2ccncc2)c1
OC(=O)c1cccc(Cn2cnc3c2C(=O)c2ccccc2C3=O)c1
Cc1ccccc1Cn1cnc2c1C(=O)c1ccccc1C2=O
Clc1cccc(Cn2cnc3c2C(=O)c2ccccc2C3=O)c1
O=C1c2nc(sc2C(=O)c2ncccc12)-c1cscn1
O=C1c2nc(sc2C(=O)c2cccnc12)-c1ccncc1
O=C1c2nc([nH]c2C(=O)c2cccnc12)-c1ccccn1
O=C1c2[nH]c(nc2C(=O)c2ncccc12)-c1cscn1
O=C1c2nc(sc2C(=O)c2ccccc12)-c1ccncc1
Nc1ncc(cn1)-c1nc2c([nH]1)C(=O)c1ccccc1C2=O
Cc1ccccc1Cn1c(nc2c1C(=O)c1ccccc1C2=O)-c1ccncc1
O=C1c2nc([nH]c2C(=O)c2cccnc12)-c1ccncc1
O=C1c2nc(sc2C(=O)c2ccccc12)-c1ccccn1
O=C1c2nc([nH]c2C(=O)c2ccccc12)-c1c[nH]cn1
O=C1c2nc([nH]c2C(=O)c2ccccc12)-c1cc[nH]c1
Clc1cnccc1-c1nc2c([nH]1)C(=O)c1ccccc1C2=O
COC(=O)c1ccc(cc1)-c1nc2c([nH]1)C(=O)c1ccccc1C2=O
COC(=O)c1cccc(Cn2cnc3c2C(=O)c2ccccc2C3=O)c1
O=C1c2nc(sc2C(=O)c2ncccc12)-c1ccncc1
O=C1c2nc(sc2C(=O)c2ccccc12)-c1cscn1
NCCc1c[nH]c2ccccc12
COc1cc(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)cc(O)c(C)c3O)c(C)c2OC)c(C)c(C)c1C(O)=O
c1ccc(cc1)CON
CN1C([C@H](O)c2ccccc2)c2nc3ccccc3c(=O)n2-c2ccccc2C1=O |r|
COC1=CC(=O)c2oc(C)c(CO)c2C1=O |t:2|
Cc1ccc(CC(=O)Nc2cc(ccc2N2CC3CC2CN3Cc2ccccc2)-c2ccccc2-c2nnn[nH]2)cc1 |THB:22:21:15.16:18,14:15:21.20:18|
CN=C(N)NC(N)=Nc1cc2ccccc2c2ccccc12 |w:7.7,1.0|
CCc1ccccc1Nc1cnn[nH]1
[H][C@@]12CC[C@@]3(C=O)C(O)CC(C=O)=CC[C@]3([H])[C@@]1(C)CCCC2(C)C |r,c:12|
COc1cccc2C(=O)C3=C([C@@H](C)O[C@@H](Cn4cc(nn4)-c4ccccc4)C3)C(=O)c12 |r,t:9|
CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O |c:5|
NC1=CC(=N)c2ccc(=O)[nH]c2C1=O |t:1|
O=C(Cc1ccccc1)Nc1ccc(CCOc2ccccc2-c2cnc[nH]2)cc1
Oc1ccc(Cl)cc1C(Nc1ccc(F)c(Cl)c1)C#N
O=c1n([se]c2ccccc12)-c1ccccc1
NOC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
NOC(c1ccccc1)c1cc(ccc1F)C(F)(F)F
NOC(c1ccccc1)c1cccc(Br)c1
NOC(CCc1cccc(Cl)c1)c1ccccc1
NOC(c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
NOC(c1ccccc1)c1ccccc1F
NOC(c1ccccc1)c1cccc(Cl)c1Cl
NOC(c1ccc(F)cc1)c1ccc(F)cc1
NOC(c1ccccc1)c1ccccc1Br
NOC(c1ccccc1)c1ccccc1Cl
NOC(c1ccsc1)c1ccccc1
NOC(C1CCCCC1)c1ccccc1
Cc1ccc(C(ON)c2ccc(Cl)cc2)c(O)c1
NOC(c1ccccc1)c1cc(Cl)cc(Cl)c1
NOC(c1ccccc1)c1ccc(Cl)c(Cl)c1
NOC(c1ccccc1)c1ccc(Cl)cc1Cl
NOC(c1ccccc1)c1cc(F)cc(F)c1
NOC(c1ccccc1)c1cccc(c1F)C(F)(F)F
NOC(c1ccccc1)c1ccc(F)cc1F
COc1ccccc1C(ON)c1ccccc1
NOC(CCCC(=O)Nc1ccccc1)c1cccc(Cl)c1
NOC(c1ccccc1)c1ccc(Cl)cc1
NOC(CCc1ccccc1)c1ccccc1F
NOC(c1ccccc1)c1cccc(c1)C(F)(F)F
NOC(c1ccccc1)c1ccc(O)cc1
NOC(c1ccccc1)c1cccc(F)c1
CCCn1c(SCc2cccc(C)c2)nc2n(C)c(=O)[nH]c(=O)c12
CCCn1c(SCc2ccc(F)cc2)nc2n(C)c(=O)[nH]c(=O)c12
NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1cccc(Cl)c1)=N\O
CC1(CCN1)C(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)F)=N\O
CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NS(=O)(=O)NCC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)F)=N\O
NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1cccc(c1)C(F)F)=N\O
C[C@H](CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)NC(=O)CS(N)(=O)=O |r|
CS(=O)(=O)CCC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
C[C@@H](CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)NC(=O)CS(N)(=O)=O |r|
CS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)F)=N\O
CC(C)(O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)F)=N\O
O\N=C(/Nc1ccc(F)c(c1)C(F)F)c1nonc1SCCNC(=O)C1CS(=O)(=O)C1
NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C#N)=N\O
NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1cccc(Br)c1)=N\O
NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1cccc(c1)C(F)(F)F)=N\O
CS(=O)(=O)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)(F)F)=N\O
COc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)F)=N\O
NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1cccc(c1)C#N)=N\O
CS(=N)(=O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(c1)C(F)F)c1nonc1SCCNC(=O)CC#N
C\C(=C/C(O)=O)c1ccc(N2CCOCC2)c(c1)-n1cc(CNc2ccc(F)cc2)nn1
CCCCN(CCCC)c1ccc(cc1NC(=O)N\N=C\c1ccccc1C(F)(F)F)C(\C)=C\C(O)=O
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)N\N=C\c1ccccc1F)C(\C)=C\C(O)=O
CCCCN(CCCC)c1ccc(cc1NC(=O)N\N=C\c1ccc(Cl)cc1)C(\C)=C\C(O)=O
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)N\N=C\c1ccc(Cl)cc1)C(\C)=C\C(O)=O
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCn2cnnc2[C@H]1O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCN(C[C@H]1O)S(C)(=O)=O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCN(C)C[C@H]1O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])COCC[C@H]1O |r|
[H][C@]1(CCC[C@H]1O)[C@@]1([H])c2ccccc2-c2cncn12 |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCCC[C@H]1O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2ccncc2[C@H]1O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2ccccc2[C@H]1O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2ccc(cc2[C@H]1O)S(C)(=O)=O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2cc(ccc2[C@H]1O)S(C)(=O)=O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2ccc(cc2[C@H]1O)P(C)(C)=O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2nonc2[C@H]1O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCn2nccc2[C@H]1O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2ccc(cc2[C@H]1O)C#N |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCN(C[C@H]1O)C(C)=O |r|
c1ccc2c(c1)-c3cncn3[C@H]2[C@@H]4CCOC[C@H]4O
C1CCC(CC1)[C@H]1c2ccccc2-c2cncn12 |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2c(cnn2C)[C@H]1O |r|
[H][C@]1(CC[C@H]1O)[C@@]1([H])c2ccccc2-c2cncn12 |r|
[H][C@]1([C@H](C)[C@H](O)C2CCCCC2)c2ccccc2-c2cncn12 |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2cnccc2[C@H]1O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2ccc(cc2[C@H]1O)C(N)=O |r|
CN(C)CCN1CCN(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)S1(=O)=O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCN1CCOC1=O
O\N=C(/Nc1cc(Cl)c(F)c(Cl)c1)c1nonc1NCCN1CCNS1(=O)=O
CN1CCN(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)S1(=O)=O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCN1CCNS1(=O)=O
CN1CCCN(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)S1(=O)=O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCN1CCCS1(=O)=O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCN1OCCC1=O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCOC1=NOCC1 |t:23|
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCn1[se]c2ccccc2c1=O
O\N=C(/Nc1ccc(OCC(F)(F)F)c(Br)c1)c1nonc1NCCN1CCNS1(=O)=O
CCS(=O)(=O)c1ccc(N\C(=N/O)c2nonc2NCCN2CCNS2(=O)=O)cc1Br
O\N=C(/Nc1ccc(Br)c(F)c1)c1nonc1NCCCN1CCNS1(=O)=O
O\N=C(/Nc1ccc(Br)c(F)c1)c1nonc1NCC1(CN2CCNS2(=O)=O)CC1
O\N=C(/Nc1ccc(Br)c(F)c1)c1nonc1N[C@@H](CN1CCNS1(=O)=O)C1CC1 |r|
COCCCN1CCN(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)S1(=O)=O
OCCN1CCN(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)S1(=O)=O
OCC1(CN2CCN(CCNc3nonc3\C(Nc3ccc(F)c(Br)c3)=N\O)S2(=O)=O)COC1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCN1CCN(c2ccnc(Br)c2)S1(=O)=O
COC1CN(C1)C(=O)OCCN1CCN(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)S1(=O)=O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCN1CCN(CCN2CCOCC2)S1(=O)=O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCN1Cc2ccccc2S1(=O)=O
OCCOCCOCCN1CCN(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)S1(=O)=O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCN1CCN(CC(F)F)S1(=O)=O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCN1CCNC1=O
COc1c(NCCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)c(=O)c1=O
O\N=C(/Nc1ccc(F)c(Cl)c1)c1nonc1NCCN1CCNS1(=O)=O
COCCN1CCN(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)S1(=O)=O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCN1CCN(CCOC(=O)N2CC[C@H](F)C2)S1(=O)=O |r|
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCN1CCN(CC2CC(F)(F)C2)S1(=O)=O
CC[Se]c1ccc(N\C(=N/O)c2nonc2NCCN2CCNS2(=O)=O)cc1Br
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCN1CCN(Cc2ccccc2)S1(=O)=O
O\N=C(/Nc1cc(Br)c(F)c(Br)c1)c1nonc1NCCN1CCNS1(=O)=O
Fc1ccc-2c(c1)C(=O)c1nc3ccc(cc3c(=O)n-21)N1CCNCC1
CN1CCN(Cc2ccc3nc4C(=O)c5cc(F)ccc5-n4c(=O)c3c2)CC1
CN(C)c1ccc2nc3C(=O)c4cc(F)ccc4-n3c(=O)c2c1
CN1CCN(CC1)c1ccc2nc3C(=O)c4ccccc4-n3c(=O)c2c1
Fc1ccc-2c(c1)C(=O)c1nc3ccc(CN4CCNCC4)cc3c(=O)n-21
CN(C)Cc1ccc2nc3C(=O)c4cc(F)ccc4-n3c(=O)c2c1
Fc1ccc-2c(c1)C(=O)c1nc3ccc(CN4CCOCC4)cc3c(=O)n-21
CN1CCN(CC1)c1ccc2nc3C(=O)c4cc(F)ccc4-n3c(=O)c2c1
CC(C)(C)OC(=O)N1CCN(Cc2ccc3nc4C(=O)c5cc(F)ccc5-n4c(=O)c3c2)CC1
CN1CCN(Cc2ccc3nc4C(=O)c5ccccc5-n4c(=O)c3c2)CC1
Fc1ccc-2c(c1)C(=O)c1nc3ccc(cc3c(=O)n-21)N1CCCCC1
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(Br)ccc1O2 |r|
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1ccccc1OC)c1cc(Br)ccc1O2 |r|
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3nn[nH]c13)c1cc(Br)ccc1O2 |r|
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(CC)ccc1O2 |r|
CC(C)(C)OC(=O)N1CCC2(CC1)CC(NC(=O)c1cccc3cc[nH]c13)c1ccccc1O2
CCOC(=O)N1CCC2(CC1)CC(NC(=O)c1cccc3cc[nH]c13)c1ccccc1O2
CCOC(=O)N1CCC2(CC1)C[C@@H](NC(=O)c1cccc3cn[nH]c13)c1ccccc1O2 |r|
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(ccc1O2)C(O)=O |r|
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(ccc1O2)C(=O)OC |r|
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(ccc1O2)C#N |r|
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1nc(OC)ccc1O2 |r|
COC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(Br)ccc1O2 |r|
CC(C)OC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(Br)ccc1O2 |r|
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1ccccc1NC(=O)C(F)(F)F)c1cc(Br)ccc1O2 |r|
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1ccccc1O)c1cc(Br)ccc1O2 |r|
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3OCOc13)c1cc(Br)ccc1O2 |r|
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3C(=O)C(=O)Nc13)c1cc(Br)ccc1O2 |r|
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3CC(=O)Nc13)c1cc(Br)ccc1O2 |r|
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3OCC(=O)Nc13)c1cc(Br)ccc1O2 |r|
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3nc[nH]c13)c1cc(Br)ccc1O2 |r|
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cc[nH]c13)c1cc(Br)ccc1O2 |r|
CCOC(=O)N1CCC2(CC1)CC(NC(=O)c1cccc3cn[nH]c13)c1ccccc1O2
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(OC)ccc1O2 |r|
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(Br)ncc1O2 |r|
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(Br)ccc1O2 |r|
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3ocnc13)c1cc(Br)ccc1O2 |r|
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3[nH]c(=O)[nH]c13)c1cc(Br)ccc1O2 |r|
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1ccccc1O2 |r|
CCCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(Br)ccc1O2 |r|
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3[nH]ncc13)c1cc(Br)ccc1O2 |r|
O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1ccc(cc1)C#N
Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1
O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1cc2ccccc2o1
Cc1ccc2[nH]c(cc2c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1
Oc1ccc2[nH]c(cc2c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1
Brc1ccc(cc1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1
Clc1ccc(cc1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1
Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccc(Br)cc23)c1
O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1cc2ccccc2[nH]1
O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1nc2ccccc2[nH]1
Cc1ccc(cc1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1
Fc1ccc(cc1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1
Fc1cccc2-c3cncn3C(C3CCN(CC3)c3ccc(cc3)-c3cccnc3)c12
Fc1cccc2-c3cncn3C(C3CCN(CC3)c3ccc(cc3)-c3ccncc3)c12
Fc1cccc2-c3cncn3C(C3CCCC3)c12
Fc1cccc2-c3cncn3C(C3CCN(CC3)C(=O)c3ccccc3)c12
Fc1cccc2-c3cncn3C(c12)c1ccccc1
Fc1cccc2-c3cncn3C(C3CCN(CC3)c3nccs3)c12
Fc1cccc2-c3cncn3C(C3CCN(CC3)c3nc4ccccc4s3)c12
Fc1cccc2-c3cncn3C(C3CCN(CC3)c3ccc(cc3)N3CCOCC3)c12
Cc1cc(ccc1-c1cnn(C)c1)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12
Cn1cc(cn1)-c1cnc(nc1)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12
Fc1cccc2-c3cncn3C(C3CCCCC3)c12
Cn1ccc2ccc(cc12)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12
Fc1cccc2-c3cncn3C(C3CCNCC3)c12
Cc1cc(ccc1N1CCC(CC1)C1c2c(cccc2F)-c2cncn12)-c1cnn(C)c1
Fc1cccc2-c3cncn3C(C3CCOCC3)c12
Fc1cccc2-c3cncn3C(Cc3ccccc3)c12
Cn1cc(cn1)-c1ccc(cc1)N1CCC(CC1)[C@@H]1c2c(cccc2F)-c2cncn12 |r|
Oc1ccc(Cl)cc1-c1cnc[nH]1
OCCn1cncc1-c1ccccc1
C(Cc1cncnc1)Oc1ccccc1-c1cnc[nH]1
OC(CC1c2cc(F)ccc2-c2cncn12)C1CCCCC1
Cc1ccc(O)c(c1)-c1cnc[nH]1
Oc1ccc(Br)cc1-c1cnc[nH]1
Oc1c(F)cc(F)cc1-c1cnc[nH]1
Oc1c(Cl)cc(F)cc1-c1cnc[nH]1
CC(=O)NCCn1cncc1-c1ccccc1
CNC(=O)CCn1cncc1-c1ccccc1
C(Oc1ccccc1-c1cnc[nH]1)c1ccccc1
C(Cc1ccccc1)Oc1ccccc1-c1cnc[nH]1
CC(C)(C)CCOc1ccccc1-c1cnc[nH]1
C(CC1CC1)Oc1ccccc1-c1cnc[nH]1
C(CC1CCCCC1)Oc1ccccc1-c1cnc[nH]1
Oc1cccc(OCCC2CCCCC2)c1-c1cnc[nH]1
Oc1cccc2Cn3cncc3-c12
c1ncn2ccc3ccccc3c12
[H][C@]1(CC[C@H](O)CC1)C(O)CC1c2c(cccc2F)-c2cncn12 |r,wU:1.0,wD:4.4,(10.66,-5.44,;11.44,-6.77,;12.19,-5.44,;13.73,-5.44,;14.51,-6.77,;16.04,-6.77,;13.73,-8.1,;12.2,-8.1,;9.9,-6.78,;9.13,-8.12,;9.12,-5.45,;7.58,-5.46,;6.34,-4.54,;5.08,-5.43,;3.7,-4.79,;3.54,-3.26,;4.8,-2.38,;6.2,-3.02,;7.46,-2.13,;5.55,-6.9,;5.04,-8.36,;6.29,-9.28,;7.55,-8.39,;7.09,-6.92,)|
OC(COc1ccccc1-c1cnc[nH]1)c1ccccc1
C(COc1ccccc1-c1cnc[nH]1)Cc1ccccc1
C1c2ccccc2-c2cncn12
Cn1cc(cn1)C(O)CC1c2ccccc2-c2cncn12
[H][C@@]1(CC[C@@H](CC1)C(=O)OC)[C@H](O)CC1c2ccccc2-c2cncn12 |r,wU:4.7,1.0,wD:11.12,(13.12,-35.17,;13.89,-36.5,;14.66,-37.83,;16.19,-37.83,;16.96,-36.5,;16.19,-35.16,;14.64,-35.16,;18.51,-36.5,;19.27,-37.83,;19.27,-35.16,;20.82,-35.16,;12.35,-36.51,;11.58,-37.84,;11.57,-35.18,;10.03,-35.18,;8.79,-34.27,;8.65,-32.74,;7.25,-32.1,;5.99,-32.99,;6.14,-34.51,;7.53,-35.15,;7.99,-36.63,;7.5,-38.09,;8.74,-39.01,;10,-38.12,;9.53,-36.64,)|
C(CC1CCCCC1)C1c2ccccc2-c2cncn12
Oc1ccc(F)cc1-c1cnc[nH]1
CC(C)CCOc1ccccc1-c1cnc[nH]1
CNC(=O)Cn1cncc1-c1ccccc1
Oc1c(Cl)cccc1-c1cnc[nH]1
C(CC1CCCC1)Oc1ccccc1-c1cnc[nH]1
Oc1c(F)cc(Cl)cc1-c1cnc[nH]1
Oc1ccc(Cl)cc1-c1cncn1C1CCCCC1
C(Cn1cccn1)Oc1ccccc1-c1cnc[nH]1
C1Cn2cncc2-c2ccccc2O1
CC(C)(C)CCn1cncc1-c1ccccc1O
Brc1cc(NCc2cccc3nonc23)c2cn[nH]c2c1
O=C1NC(=S)NC1Cc1c[nH]c2ccccc12
CCCCNC(=S)NCc1cnc2scc(C#CC3CC3)n12
OC(c1cnc2scc(-c3ccc(Br)cc3)n12)c1ccccc1
Cc1sc2nccn2c1-c1ccc(Br)cc1
Clc1ccc(cc1)-c1csc2nnc(SCC(=O)c3ccc(Br)cc3)n12
CC(C)CSc1nnc2scc(-c3ccc(Cl)cc3)n12
Clc1ccc(NC(=O)CSc2nnc3scc(-c4ccccc4)n23)cc1
Clc1ccc(s1)C#Cc1csc2ncc(CNC(=O)Nc3ccc(cc3)C#N)n12
O=C(NCc1cnc2scc(C#Cc3ccsc3)n12)Nc1ccc(cc1)C#N
O=C(NCc1cnc2scc(C#CC3CCCC3)n12)Nc1ccc(cc1)C#N
Clc1cccc(NC(=O)NCc2cnc3scc(C#CC4CC4)n23)c1
Clc1cccc(NC(=S)NCc2cnc3scc(C#CC4CC4)n23)c1
CCCS(=O)(=O)NCc1cnc2scc(-c3ccc(Br)cc3)n12
Cc1ccc(CS(=O)(=O)NCc2cnc3scc(-c4ccc(Br)cc4)n23)cc1
OC(C1CCCCC1)c1cnc2scc(-c3ccc(Br)cc3)n12
Brc1ccc(cc1)-c1csc2nccn12
c1cc(ccc1C#N)NC(=O)NCc2cnc3n2c(cs3)C#CC4CC4
Brc1ccc(cc1)C(=O)CSc1nnc2scc(-c3ccc(Br)cc3)n12
Brc1ccc(cc1)C(=O)CSc1nnc2scc(C3CCCCC3)n12
O=C(NCc1cnc2scc(C#Cc3cccnc3)n12)Nc1ccc(cc1)C#N
OC(C1CCCCC1)c1cnc2scc(C#CC3CC3)n12
c1cc(ccc1C#N)NC(=S)NCc2cnc3n2c(cs3)C#CC4CC4
Clc1cccc(CS(=O)(=O)NCc2cnc3scc(-c4ccc(Br)cc4)n23)c1
O\N=C1\C=C(N[C@H](Cc2ccccc2)C(=O)Nc2cc(F)cc(F)c2)C(=O)c2ccccc12 |r,t:3|
Clc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC2=CC(=O)c3ccccc3C2=O)c1 |r,t:19|
Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC2=CC(=O)c3ccccc3C2=O)c1 |r,t:19|
O\N=C1\C=C(N[C@H](Cc2ccccc2)C(=O)Nc2cccc(c2)C(F)(F)F)C(=O)c2ccccc12 |r,t:3|
COc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NC1=C\C(=N\O)c2ccccc2C1=O |r,t:22|
CC(C)(C)c1ccc(cc1)S(=O)(=O)O\N=C1/C=C(N[C@H](Cc2ccccc2)C(=O)Nc2cccc(c2)C(F)(F)F)C(=O)c2ccccc12 |r,t:17|
O\N=C1\C=C(N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)C(=O)c2ccccc12 |r,t:3|
O\N=C1\C=C(N[C@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)C(F)(F)F)C(=O)c2ccccc12 |r,t:3|
O\N=C1\C=C(N[C@H](Cc2ccccc2)C(=O)Nc2cccc(F)c2)C(=O)c2ccccc12 |r,t:3|
O\N=C1\C=C(N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2Cl)C(=O)c2ccccc12 |r,t:3|
O\N=C1\C=C(N[C@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2)C(=O)c2ccccc12 |r,t:3|
O\N=C1\C=C(N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Br)cc2)C(=O)c2ccccc12 |r,t:3|
COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC2=C\C(=N\O)c3ccccc3C2=O)c1 |r,t:20|
COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC2=C\C(=N\O)c3ccccc3C2=O)cc1 |r,t:19|
Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC2=C\C(=N\O)c3ccccc3C2=O)c1 |r,t:19|
Cc1cc(C)cc(NC(=O)[C@@H](Cc2ccccc2)NC2=C\C(=N\O)c3ccccc3C2=O)c1 |r,t:20|
COc1cc(NC(=O)[C@@H](Cc2ccccc2)NC2=C\C(=N\O)c3ccccc3C2=O)cc(OC)c1 |r,t:18|
O\N=C1\C=C(N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Br)c(F)c2)C(=O)c2ccccc12 |r,t:3|
Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC2=C\C(=N\O)c3ccccc3C2=O)cc1Cl |r,t:18|
FC(F)(F)c1cccc(NC(=O)[C@@H](Cc2ccccc2)NC2=CC(=O)c3ccccc3C2=O)c1 |r,t:22|
FC(F)(F)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC2=CC(=O)c3ccccc3C2=O)cc1 |r,t:21|
Fc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC2=CC(=O)c3ccccc3C2=O)c1 |r,t:19|
Fc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC2=CC(=O)c3ccccc3C2=O)cc1 |r,t:18|
Clc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC2=CC(=O)c3ccccc3C2=O)cc1 |r,t:18|
Brc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC2=CC(=O)c3ccccc3C2=O)cc1 |r,t:18|
COc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NC1=CC(=O)c2ccccc2C1=O |r,t:22|
COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC2=CC(=O)c3ccccc3C2=O)c1 |r,t:20|
Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC2=CC(=O)c3ccccc3C2=O)cc1 |r,t:18|
Cc1cc(C)cc(NC(=O)[C@@H](Cc2ccccc2)NC2=CC(=O)c3ccccc3C2=O)c1 |r,t:20|
Fc1cc(NC(=O)[C@@H](Cc2ccccc2)NC2=CC(=O)c3ccccc3C2=O)ccc1Br |r,t:17|
Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC2=CC(=O)c3ccccc3C2=O)cc1F |r,t:18|
CC(C)(C)c1ccc(cc1)S(=O)(=O)O\N=C1/C=C(N[C@H](Cc2ccccc2)C(=O)Nc2cccc(Br)c2)C(=O)c2ccccc12 |r,t:17|
COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC2=C\C(=N/OS(=O)(=O)c3ccc(cc3)C(C)(C)C)c3ccccc3C2=O)c1 |r,t:20|
O\N=C1\C=C(N[C@H](Cc2ccccc2)C(=O)Nc2cccc(Br)c2)C(=O)c2ccccc12 |r,t:3|
Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC2=C\C(=N\O)c3ccccc3C2=O)cc1 |r,t:18|
Cc1cc(Br)ccc1NC(=O)[C@@H](Cc1ccccc1)NC1=C\C(=N\O)c2ccccc2C1=O |r,t:22|
COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC2=CC(=O)c3ccccc3C2=O)cc1 |r,t:19|
Fc1cc(F)cc(NC(=O)[C@@H](Cc2ccccc2)NC2=CC(=O)c3ccccc3C2=O)c1 |r,t:20|
COc1cc(NC(=O)[C@@H](Cc2ccccc2)NC2=CC(=O)c3ccccc3C2=O)cc(OC)c1 |r,t:18|
O\N=C1\C=C(N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2)C(=O)c2ccccc12 |r,t:3|
Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC2=C\C(=N\O)c3ccccc3C2=O)cc1F |r,t:18|
Brc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC2=CC(=O)c3ccccc3C2=O)c1 |r,t:19|
Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC2=CC(=O)c3ccccc3C2=O)cc1Cl |r,t:18|
O\N=C1\C=C(N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)C(=O)c2ccccc12 |r,t:3|
O\N=C1\C=C(N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2Br)C(=O)c2ccccc12 |r,t:3|
Cc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NC1=C\C(=N\O)c2ccccc2C1=O |r,t:21|
O\N=C1\C=C(N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(Br)c2)C(=O)c2ccccc12 |r,t:3|
O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NC1=CC(=O)c2ccccc2C1=O |r,t:20|
Fc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NC1=CC(=O)c2ccccc2C1=O |r,t:21|
Brc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NC1=CC(=O)c2ccccc2C1=O |r,t:21|
Cc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NC1=CC(=O)c2ccccc2C1=O |r,t:21|
Fc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC2=CC(=O)c3ccccc3C2=O)cc1Br |r,t:18|
Cc1cc(Br)ccc1NC(=O)[C@@H](Cc1ccccc1)NC1=CC(=O)c2ccccc2C1=O |r,t:22|
O\N=C1\C=C(N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2F)C(=O)c2ccccc12 |r,t:3|
Clc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NC1=CC(=O)c2ccccc2C1=O |r,t:21|
Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1
OC1C(Oc2cc(O)c(O)cc2C1=O)c1ccc(O)c(O)c1
C[C@@H]1C(=O)N\C(=C/c2ccccc2)c2nc3c(O)cccc3c(=O)n12 |r|
CC[C@@H](C)C1=C2N=C3OC=CC=C[C@]3(OC)C(=O)N2[C@@H](Cc2ccccc2)C(=O)N1 |r,c:4,9,11,t:6|
C[C@@H]1C(=O)N[C@](O)(Cc2ccccc2)c2nc3OC=CC=Cc3c(=O)n12 |r,c:19,21|
OC(Cc1ccccc1)c1cccc2[nH]ncc12
Cc1cc(C(O)Cc2ccccc2)c2cn[nH]c2c1
OC(Cc1ccccc1)c1cc(cc2[nH]ncc12)C#C
Cc1cc(c2cn[nH]c2c1)[Si](C)(C)C
CCc1cc(C(O)Cc2ccccc2)c2cn[nH]c2c1
C[Si](C)(C)c1cccc2[nH]ncc12
OC(Cc1ccccc1)c1cc(Br)cc2[nH]ncc12
OC(Cc1ccccc1)c1cc(cc2[nH]ncc12)-c1ccccc1
OC(Cc1ccccc1)c1cc(cc2[nH]ncc12)C1CC1
c1ccc2c(c1)cn[nH]2
CCOP(=O)(CC)NCCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CCOP(C)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
COP(C)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(c1)C(F)(F)F)=N\O
CCOP(=O)(CC)NCCNc1nonc1\C(Nc1cccc(Br)c1)=N\O
CCOP(=O)(CC)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CCCP(=O)(NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)OCC
CCCP(=O)(NCCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)OCC
CCOP(=O)(CC)N1CCC(CC1)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CCCP(=O)(OCC)N1CCC(CC1)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
COP(C)(=O)N1CCCC(C1)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CCOP(=O)(Cc1cccc2ccccc12)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
COP(C)(=O)NCCCCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
COP(C)(=O)N1CCN(CC1)c1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
COP(C)(=O)NC1CCCN(C1)c1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
COP(C)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
COP(C)(=O)NCCNc1nonc1\C(Nc1cccc(Cl)c1)=N\O
COP(C)(=O)NCCNc1nonc1\C(Nc1cccc(Br)c1)=N\O
COP(C)(=O)NCCNc1nonc1\C(Nc1ccc(F)cc1)=N\O
COP(C)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(c1)C#N)=N\O
COP(C)(=O)NCCNc1nonc1\C(Nc1cccc(c1)C#N)=N\O
COP(C)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
COP(C)(=O)NCCCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
COP(C)(=O)N1CCC(C1)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
COP(C)(=O)NCCCNc1nonc1\C(Nc1cccc(Br)c1)=N\O
COP(C)(=O)NCCNc1nonc1\C(Nc1cccc(c1)C(F)(F)F)=N\O
COP(C)(=O)NC1CCN(CC1)c1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CC(C)OP(C)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CCOP(C)(=O)N1CCC(CC1)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CCOP(=O)(NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)c1ccccc1
COP(C)(=O)NCCCNc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
COP(C)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(C)c1)=N\O
CCOP(=O)(Cc1ccccc1)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
COP(C)(=O)NCCNc1nonc1\C(Nc1cccc(C)c1)=N\O
CCOc1ccc(NCc2nnc3SCC(=Nn23)c2cccs2)cc1 |c:15|
CCC(Nc1ccc(Cl)cc1C)C(=O)N\N=C\c1cccc2ccccc12
Oc1ccc2ccccc2c1\C=N\NC(=O)CSc1ccc(Cl)cc1
Oc1ccccc1CN1CCCC(C1)c1n[nH]cc1-c1ccc(Cl)cc1
Cc1ccc(cc1)-c1csc2ncn(CC(=O)Nc3cccc4ccccc34)c(=O)c12
O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NC(=O)Nc1ccccc1
Fc1ccc(cc1)-c1csc2ncn(CC(=O)NC(=O)NCc3ccccc3)c(=O)c12
COc1cccc(NCc2nnc3SCC(=Nn23)c2cccc(OC)c2)c1 |c:15|
COc1ccccc1N(CC(=O)N\N=C\c1c(O)ccc2ccccc12)S(C)(=O)=O
Oc1ccc2ccccc2c1\C=N\NC(=O)Cc1ccc(cc1)[N+]([O-])=O
COc1ccc(CC(=O)N\N=C\c2c(O)ccc3ccccc23)cc1
Oc1ccc2cc(ccc2c1\C=N\NC(=O)Cc1ccccc1)[N+]([O-])=O
COc1ccccc1C(=O)N\N=C\c1c(O)ccc2ccccc12
CCOc1ccc(\C=N\NC(=O)c2c(O)ccc3ccccc23)cc1
CCNC(=O)C(=O)N\N=C\c1c(O)ccc2ccccc12
COc1ccccc1NCC(=O)N\N=C\c1c(O)ccc2ccccc12
COc1cccc(NCc2nnc3SCC(=Nn23)c2ccc(Br)cc2)c1 |c:15|
COc1ccc(NC(=O)Cn2cnc3scc(-c4ccc(OC)c(OC)c4)c3c2=O)cc1
Cc1ccc(OCC(=O)N\N=C\c2c(O)ccc3ccccc23)c(C)c1
Oc1ccc2ccccc2c1\C=N\NC(=O)Nc1ccccc1
Oc1ccc2ccccc2c1\C=N\Nc1nccs1
COc1ccc(NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1
Clc1ccc(cc1)-c1csc2ncn(CC(=O)NCc3ccco3)c(=O)c12
C(N1CCc2ccccc12)c1nnc2SCC(=Nn12)c1ccccc1 |c:18|
CCC(Nc1ccc(Cl)cc1C)C(=O)N\N=C\c1c(O)ccc2ccccc12
CN(C)c1ccc(cc1)C(=O)N\N=C\c1c(O)ccc2ccccc12
NS(=O)(=O)NCCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
Nc1nonc1\C(N[C@H]1Cc2ccccc12)=N\O |r|
OCCNC(=O)CSc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
Nc1nonc1\C(NC1Cc2cc(F)c(F)cc12)=N\O
Nc1nonc1\C(NC1Cc2cc(F)ccc12)=N\O
Nc1nonc1\C(NC1Cc2ccccc2C1)=N\O
Oc1ccc(Cl)cc1-c1c[nH]nn1
Clc1ccc(Nc2cn[nH]n2)cc1
C(c1ccccc1)c1ccccc1-c1c[nH]nn1
C(Cc1ccccc1-c1c[nH]nn1)c1ccccc1
Clc1cccc(-c2c[nH]nn2)c1\C=C\C1CCCCC1
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(F)cc1)-c1c(C)oc(C)c1C(O)=O
CCN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccccc1F)-c1c(C)oc(C)c1C(O)=O
CC(C)CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccc(F)cc1)-c1c(C)oc(C)c1C(O)=O
CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1c(C)oc(C)c1C(O)=O
CCN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccccc1C)-c1c(C)oc(C)c1C(O)=O
CC(C)CN(C1CCCCC1)c1ccc(cc1Nc1nc(C)ns1)-c1c(C)oc(C)c1C(O)=O
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccccc1F)-c1c(C)oc(C)c1C(O)=O
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(F)cc1F)-c1c(C)oc(C)c1C(O)=O
CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccccc1F)-c1c(C)oc(C)c1C(O)=O
CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccc(F)cc1)-c1c(C)oc(C)c1C(O)=O
CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccc(F)cc1F)-c1c(C)oc(C)c1C(O)=O
CCN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1cccc(C)c1)-c1c(C)oc(C)c1C(O)=O
CCN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccc(F)cc1)-c1c(C)oc(C)c1C(O)=O
CCN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccc(F)cc1F)-c1c(C)oc(C)c1C(O)=O
CC(C)CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccccc1C)-c1c(C)oc(C)c1C(O)=O
CC(C)CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccccc1F)-c1c(C)oc(C)c1C(O)=O
CC(C)CN(C1CCCCC1)c1ccc(cc1Nc1nc(ns1)C1CC1)-c1c(C)oc(C)c1C(O)=O
CC(C)CN(C1CCCCC1)c1ccc(cc1Nc1nc(ns1)-c1ccccc1)-c1c(C)oc(C)c1C(O)=O
CC(C)CN(C1CCCCC1)c1ccc(cc1Nc1nc(C)cs1)-c1c(C)oc(C)c1C(O)=O
CC(C)CN(C1CCCCC1)c1ccc(cc1Nc1nnc(C)o1)-c1c(C)oc(C)c1C(O)=O
CC(C)CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1c(C)oc(C)c1C(O)=O
CC(C)CN(C1CCCCC1)c1ccc(cc1Nc1nnc(C)s1)-c1c(C)oc(C)c1C(O)=O
CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1cccc(C)c1)-c1c(C)oc(C)c1C(O)=O
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1c(C)oc(C)c1C(O)=O
CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccccc1C)-c1c(C)oc(C)c1C(O)=O
CCN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1c(C)oc(C)c1C(O)=O
CC(C)CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1cccc(C)c1)-c1c(C)oc(C)c1C(O)=O
CC(C)CN(C1CCCCC1)c1ccc(cc1Nc1nc(cs1)-c1ccccc1)-c1c(C)oc(C)c1C(O)=O
CCCNC(=O)C1(CCC1)c1ccc(NC(=O)c2cn(C)nn2)cc1
CCCNC(=O)C1(CCC1)c1ccc(NC(=O)c2ccc(F)c(C)c2)cc1
Clc1cccc(c1)C(=O)Nc1ccc(cc1)C1(CCC1)C(=O)Nc1ccc(Cl)nc1
Clc1cccc(c1)C(=O)Nc1ccc(cc1)C1(CCC1)C(=O)NC1CCOCC1
Fc1ccc(NC(=O)C2(CCC2)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1
CCCNC(=O)C1(CCC1)c2ccc(cc2)NC(=O)c3cccc(c3)Cl
Fc1ccc(NC(=O)C2(COC2)c2ccc(NC(=O)c3cccc(Cl)c3)cn2)cc1
O[C@H]1C[C@](C1)(C(=O)Nc1ccc(F)cc1)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 |r,wD:3.5,1.0,(43.66,-3.66,;42.89,-5,;41.41,-5.4,;41.81,-6.89,;43.3,-6.49,;42.55,-8.24,;41.75,-9.56,;44.09,-8.28,;44.83,-9.63,;44.03,-10.94,;44.77,-12.29,;46.31,-12.32,;47.05,-13.67,;47.11,-11,;46.36,-9.65,;40.27,-6.86,;39.51,-5.51,;37.97,-5.48,;37.18,-6.82,;35.63,-6.8,;34.85,-8.12,;35.6,-9.46,;33.31,-8.1,;32.56,-6.76,;31.02,-6.74,;30.23,-8.06,;30.99,-9.41,;30.21,-10.74,;32.53,-9.42,;37.93,-8.16,;39.47,-8.18,)|
Fc1ccc(NC(=O)C2(COC2)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1
Fc1ccc(NC(=O)C2(CCC2)c2ncc(NC(=O)c3cccc(Cl)c3)cn2)cc1
Fc1ccc(NC(=O)C2(CCC2)c2ccc(NC(=O)c3cccc(Cl)c3)nc2)cc1
CCCNC(=O)C1(CCC1)c1ccc(NC(=O)c2cnoc2C)cc1
CC(C)(C)OC(=O)NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1ccccc1 |c:18|
COc1ccccc1C1=CC(=O)c2[nH]cc(CCNC(=O)OC(C)(C)C)c2C1=O |t:9|
CC(C)(C)OC(=O)NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1ccccc1F |c:18|
CC(C)(C)OC(=O)NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:18|
NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:11|
CCNCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:13|
CC(C)NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:14|
CCCCNCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:15|
CC(C)(C)CNCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:16|
O=C1C=C(C(=O)c2c(CCNC3CCCCC3)c[nH]c12)c1cccnc1 |c:2|
O=C1C=C(C(=O)c2c(CCNCCc3ccccc3)c[nH]c12)c1cccnc1 |c:2|
CN(C)CCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:13|
CCN(CC)CCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:15|
CC(=O)NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:14|
CC(C)(C)C(=O)NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:17|
O=C(NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1)c1ccccc1 |c:13|
O=C1C=C(C(=O)c2c(CCNS(=O)(=O)c3ccccc3)c[nH]c12)c1cccnc1 |c:2|
Fc1ccc-2c(c1)C(=O)c1nc3ccc(C=O)cc3c(=O)n-21
Fc1ccc-2c(c1)C(=O)c1nc3ccc(Cn4ccnn4)cc3c(=O)n-21
COC(=O)C1CCN(Cc2ccc3nc4C(=O)c5cc(F)ccc5-n4c(=O)c3c2)CC1
OC(=O)C1CCN(Cc2ccc3nc4C(=O)c5cc(F)ccc5-n4c(=O)c3c2)CC1
COC(=O)C1CCCN(Cc2ccc3nc4C(=O)c5cc(F)ccc5-n4c(=O)c3c2)C1
OC(=O)C1CCCN(Cc2ccc3nc4C(=O)c5cc(F)ccc5-n4c(=O)c3c2)C1
COC(=O)C1CCCN1Cc1ccc2nc3C(=O)c4cc(F)ccc4-n3c(=O)c2c1
OC(=O)C1CCCN1Cc1ccc2nc3C(=O)c4cc(F)ccc4-n3c(=O)c2c1
CCOC(=O)\C=C\c1ccc2nc3C(=O)c4cc(F)ccc4-n3c(=O)c2c1
OC(=O)\C=C\c1ccc2nc3C(=O)c4cc(F)ccc4-n3c(=O)c2c1
CC1(C)OB(OC1(C)C)c1ccc2nc3C(=O)c4cc(F)ccc4-n3c(=O)c2c1
OB(O)c1ccc2nc3C(=O)c4cc(F)ccc4-n3c(=O)c2c1
O[C@@H]1[C@H](Oc2cc(O)c(O)cc2C1=O)c1ccc(O)c(O)c1
C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)NC(=O)c1ccc(F)c(F)c1 |r|
C[C@H](C(=O)Nc1ccc(cc1)F)C23CC(C2)(C3)NC(=O)c4cccc(c4)Cl
CC(C)(C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)NC(=O)c1cccc(Cl)c1
Fc1ccc(NC(=O)C2(CCC2)C23CC(C2)(C3)NC(=O)c2cccc(Cl)c2)cc1
C[C@H](C(=O)Nc1ccc(Cl)cc1)C12CC(C1)(C2)NC(=O)c1cccc(Cl)c1 |r|
C[C@H](C(=O)Nc1ccc(Cl)nc1)C12CC(C1)(C2)NC(=O)c1cccc(Cl)c1 |r|
C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)NC(=O)c1ccc(F)c(Cl)c1 |r|
C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)NC(=O)c1cc(F)cc(Cl)c1 |r|
C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)NC(=O)c1cccc(Cl)c1F |r|
C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)NC(=O)c1cccc(Cl)n1 |r|
C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)NC(=O)OC1CC1 |r|
CC(C)OC(=O)NC12CC(C1)(C2)[C@H](C)C(=O)Nc1ccc(F)cc1 |r|
C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)NC(=O)OC1CCCC1 |r|
C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)Nc1ncnc2ccccc12 |r|
C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)Nc1ncnc2ccc(F)cc12 |r|
C[C@@H](C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)NC(=O)c1cccc(Cl)c1 |r|
CS(=O)(=O)NNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NS(=O)(=O)NNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NC1C[S+]([O-])C1 |(57.72,-9.45,;56.39,-10.23,;55.06,-9.46,;55.05,-7.92,;53.72,-7.15,;53.71,-5.6,;52.38,-4.84,;51.05,-5.61,;49.72,-4.84,;51.05,-7.15,;49.71,-7.92,;52.38,-7.92,;53.72,-10.23,;52.32,-9.61,;51.29,-10.76,;52.06,-12.09,;53.57,-11.77,;54.71,-12.8,;54.4,-14.3,;53.11,-15.14,;53.96,-16.43,;53.64,-17.93,;55.25,-15.59,)|
[#8]\[#7]=[#6](/[#7]-c1ccc(F)c(Br)c1)-c1nonc1-[#7]-[#6]-1-[#6]\S([#6]-1)=[#7]/C#N
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NC1CS(=O)(=O)C1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NC1CS(=N)(=O)C1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCS(=O)(=O)NCC#C
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCS(=O)(=O)NCC1CC1
NNS(=O)(=O)CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
ONS(=O)(=O)CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CN(C)S(=O)(=O)CCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NS(=O)(=O)CCONc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
[H][C@@]1(CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,wD:1.0,(49.52,-49.21,;49.47,-50.71,;50.8,-49.93,;52.14,-50.7,;52.14,-52.25,;53.43,-51.41,;54.62,-52.38,;54.07,-53.81,;54.76,-55.17,;53.93,-56.45,;52.39,-56.37,;51.7,-55,;52.54,-53.72,;54.62,-57.81,;55.95,-57.04,;55.96,-58.58,;53.79,-59.11,;50.8,-53.03,;49.47,-52.25,;48.13,-49.95,;48.12,-48.41,;46.79,-50.72,;46.79,-52.27,;45.45,-49.96,;44.12,-50.73,;44.12,-52.29,;42.78,-53.07,;41.44,-52.29,;40.1,-53.06,;41.44,-50.74,;42.77,-49.97,)|
CC[C@H](N1CCC2(COc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1 |r|
[H][C@@]1(CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](CC)C(=O)Nc1ccc(Cl)cn1 |r,wU:4.4,19.22,wD:1.0,(11.99,-3.45,;11.89,-5.07,;13.22,-4.29,;14.57,-5.06,;14.56,-6.6,;15.85,-5.77,;17.05,-6.74,;16.49,-8.17,;17.18,-9.53,;16.35,-10.81,;14.81,-10.73,;14.12,-9.36,;14.96,-8.08,;17.05,-12.18,;18.38,-11.4,;18.39,-12.94,;16.21,-13.48,;13.22,-7.38,;11.89,-6.61,;10.55,-4.3,;10.54,-2.76,;11.87,-1.99,;9.21,-5.08,;9.21,-6.62,;7.86,-4.31,;6.53,-5.09,;5.18,-4.32,;3.84,-5.09,;3.84,-6.65,;2.5,-7.42,;5.19,-7.42,;6.53,-6.65,)|
[H][C@@]1(CC[C@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,1.0,(11.03,-49.44,;10.98,-50.89,;10.98,-52.43,;12.31,-53.2,;13.65,-52.42,;14.94,-51.58,;16.13,-52.55,;15.58,-53.98,;16.27,-55.34,;15.44,-56.62,;13.9,-56.54,;13.21,-55.17,;14.05,-53.9,;16.13,-57.99,;17.46,-57.21,;17.47,-58.75,;15.3,-59.28,;13.65,-50.88,;12.31,-50.11,;9.64,-50.12,;9.63,-48.58,;8.3,-50.9,;8.3,-52.44,;6.96,-50.13,;5.62,-50.91,;5.62,-52.46,;4.29,-53.24,;2.95,-52.46,;1.61,-53.24,;2.95,-50.91,;4.28,-50.14,)|
CCC(N1CCC2(CCOc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1
FC(F)(F)c1ccc2c(OCC22CCN(CC2)C(CC2CC2)C(=O)Nc2ccc(Cl)cc2)c1
CC(N1CCC2(COc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1
FC(F)(F)c1ccc2c(OCC22CCN(CC2)C(=O)C(=O)Nc2ccc(Cl)cc2)c1
Fc1ccc2nccc(C3CCN(CC3)C(=O)C(=O)Nc3ccc(Cl)cc3)c2c1
CC(C1CCC2(CC1)N(C)Cc1cc(ccc21)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1 |(10.52,-19.22,;10.52,-20.76,;11.87,-21.52,;11.87,-23.06,;13.19,-23.84,;14.53,-23.06,;14.53,-21.51,;13.19,-20.74,;15.82,-22.22,;15.9,-20.69,;17.01,-23.19,;16.46,-24.62,;17.15,-25.98,;16.32,-27.26,;14.78,-27.18,;14.09,-25.81,;14.93,-24.53,;17.01,-28.62,;18.34,-27.85,;18.35,-29.38,;16.18,-29.92,;9.19,-21.53,;9.19,-23.08,;7.84,-20.77,;6.51,-21.54,;6.51,-23.1,;5.17,-23.88,;3.83,-23.1,;2.49,-23.87,;3.83,-21.55,;5.17,-20.78,)|
[H][C@@]1(CC[C@@]2(COc3ncc(cc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,wD:1.0,(57.96,-4.25,;57.91,-5.87,;59.24,-5.09,;60.58,-5.86,;60.58,-7.4,;61.86,-6.56,;63.05,-7.53,;62.5,-8.96,;63.19,-10.32,;62.36,-11.6,;60.83,-11.51,;60.14,-10.15,;60.98,-8.87,;59.98,-12.8,;61.31,-13.56,;59.98,-14.33,;58.45,-12.72,;59.24,-8.18,;57.91,-7.41,;56.57,-5.1,;56.57,-3.57,;55.24,-5.88,;55.24,-7.42,;53.9,-5.11,;52.56,-5.89,;52.56,-7.44,;51.23,-8.22,;49.89,-7.44,;48.55,-8.22,;49.89,-5.89,;51.22,-5.13,)|
[H][C@@]1(CC[C@@]2(COc3nc(ccc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,wD:1.0,(33.4,-3.4,;33.35,-4.96,;34.67,-4.18,;36.02,-4.95,;36.01,-6.49,;37.3,-5.66,;38.49,-6.62,;37.94,-8.06,;38.63,-9.41,;37.8,-10.69,;36.26,-10.61,;35.58,-9.24,;36.41,-7.97,;38.49,-12.05,;39.82,-11.28,;39.83,-12.81,;37.66,-13.35,;34.68,-7.27,;33.35,-6.5,;32.01,-4.2,;32,-2.66,;30.68,-4.97,;30.68,-6.51,;29.33,-4.21,;28,-4.98,;28,-6.53,;26.66,-7.31,;25.33,-6.53,;23.99,-7.31,;25.33,-4.99,;26.66,-4.22,)|
[H][C@@]1(CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,wD:19.22,1.0,(68.16,-49.28,;68.11,-50.84,;69.44,-50.06,;70.78,-50.83,;70.78,-52.37,;72.06,-51.54,;73.25,-52.5,;72.7,-53.94,;73.39,-55.29,;72.56,-56.57,;71.03,-56.49,;70.34,-55.12,;71.18,-53.85,;73.26,-57.93,;74.58,-57.16,;74.59,-58.7,;72.42,-59.23,;69.44,-53.15,;68.11,-52.38,;66.77,-50.08,;66.77,-48.54,;65.44,-50.85,;65.44,-52.39,;64.1,-50.09,;62.76,-50.86,;62.76,-52.41,;61.42,-53.19,;60.09,-52.42,;58.75,-53.19,;60.09,-50.87,;61.42,-50.1,)|
[H][C@@]1(CC[C@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,1.0,wD:19.22,(30.51,-48.63,;30.52,-50.25,;30.52,-51.79,;31.84,-52.56,;33.18,-51.78,;34.47,-50.95,;35.66,-51.91,;35.11,-53.34,;35.79,-54.7,;34.96,-55.98,;33.43,-55.9,;32.74,-54.53,;33.58,-53.26,;35.66,-57.34,;36.99,-56.57,;37,-58.1,;34.83,-58.64,;33.18,-50.24,;31.84,-49.47,;29.18,-49.48,;29.17,-47.95,;27.84,-50.26,;27.84,-51.8,;26.5,-49.5,;25.17,-50.27,;25.17,-51.82,;23.83,-52.6,;22.49,-51.82,;21.15,-52.6,;22.49,-50.27,;23.83,-49.51,)|
CC[C@@H](N1CCC2(COc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1 |r|
CC(C)(N1CCC2(COc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1
OCCC(N1CCC2(COc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1
CC(N1CCC2(CCc3ccccc23)CC1)C(=O)Nc1ccc(Cl)cc1
FC(F)(F)c1ccc2c(OCC22CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)c1
Clc1ccc(NC(=O)CN2CCC3(CCc4ccccc34)CC2)cc1
Clc1ccc(NC(=O)C(=O)N2CCC(CC2)c2ccccc2)cc1
Fc1ccc(NC(=O)C(=O)N2CCC(CC2)c2ccccc2)cc1Cl
O\N=C(/Nc1ccc(F)c(Cl)c1)C(=O)N1CCC(CC1)c1ccccc1
CS(=O)(=O)NCCCNC(=O)C(\Nc1ccc(F)c(Br)c1)=N\O
NS(=O)(=O)NCCCNC(=O)C(\Nc1ccc(F)c(Cl)c1)=N\O
NC(=O)C(\Nc1ccc(F)c(Cl)c1)=N\O
O[C@H]1CN(CC[C@@H]1c1ccnc2ccc(F)cc12)C(=O)C(=O)Nc1ccc(Cl)cc1 |r|
FC(F)(F)c1ccc2c(OCC22CCCN(CC2)C(=O)C(=O)Nc2ccc(Cl)cc2)c1
FC(F)c1ccc2c(OCC22CCN(CC2)C(=O)C(=O)Nc2ccc(Cl)cc2)c1
FC(F)(F)c1ccc2c(OCC22CCN(CC2)C(=O)C(=O)Nc2ccc(Cl)cn2)c1
Clc1ccc(NC(=O)C(=O)N2CCC3(COc4ccccc34)CC2)nc1
O[C@H]1CN(CC[C@H]1c1ccnc2ccc(F)cc12)C(=O)C(=O)Nc1ccc(Cl)cc1 |r|
O[C@@H]1CN(CC[C@@H]1c1ccnc2ccc(F)cc12)C(=O)C(=O)Nc1ccc(Cl)cc1 |r|
O[C@@H]1CN(CC[C@H]1c1ccnc2ccc(F)cc12)C(=O)C(=O)Nc1ccc(Cl)cc1 |r|
Fc1ccc2nccc(C3CCN(CC3(F)F)C(=O)C(=O)Nc3ccc(Cl)cc3)c2c1
CC1(C)CN(CCC1c1ccnc2ccc(F)cc12)C(=O)C(=O)Nc1ccc(Cl)cc1
Fc1ccc2nccc(C3CCCN(CC3)C(=O)C(=O)Nc3ccc(Cl)cc3F)c2c1
Fc1ccc2nccc(C3=CCCN(CC3)C(=O)C(=O)Nc3ccc(Cl)cc3F)c2c1 |t:9|
FC(F)(F)c1nccc(C2CCN(CC2)C(=O)C(=O)Nc2ccc(Cl)cn2)c1Cl
Clc1ccc(NC(=O)C(=O)N2CCC(CC2)c2cccc(Cl)c2Cl)nc1
Clc1ccc(NC(=O)C(=O)N2CCC(CC2)c2ccnc3ccnn23)nc1
Clc1ccc(NC(=O)C(=O)N2CCC(CC2)c2ccnc3ccc(cc23)C#N)cc1
Clc1ccc(NC(=O)C(=O)N2CCC(CC2)c2ccnc3ccc(Cl)cc23)cc1
Fc1ccc2c(ccnc2c1)C1CCN(CC1)C(=O)C(=O)Nc1ccc(Cl)cc1
Fc1ccc2nccc(C3CCN(CC3)C(=O)C(=O)Nc3ccc(Cl)cn3)c2c1
FC(F)c1ccc(NC(=O)C(=O)N2CCC(CC2)c2ccnc3ccc(F)cc23)cc1
Fc1ccc2nccc(C3CCN(CC3)C(=O)C(=O)Nc3ccc(cc3)C(F)(F)F)c2c1
Fc1ccc2nccc(C3CCN(CC3)C(=O)C(=O)Nc3ccc(cc3)C#N)c2c1
Fc1ccc2nccc(C3CCN(CC3)C(=O)C(=O)Nc3ccc(Cl)cc3F)c2c1
NS(=O)(=O)N1CCC(CC1)C(=O)C(\Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Br)c1)C(=O)C1CCN(CC1)S(=O)(=O)Nc1ccccc1
O\N=C(/Nc1ccc(F)c(Br)c1)C(=O)C1CCN(CC1)S(=O)(=O)NCc1ccccc1
O\N=C(/Nc1ccc(F)c(Br)c1)C(=O)C1CCN(CC1)C(=O)NCc1ccccc1
Cn1cc(cn1)-c1ccc(NC(=O)N2CCC(CC2)C(=O)C(\Nc2ccc(F)c(Br)c2)=N\O)cc1
O\N=C(/Nc1ccc(F)c(Br)c1)C(=O)C1CCN(CC1)C(=O)Nc1ccccc1
O\N=C(/Nc1ccc(F)c(Br)c1)C(=O)C1CCN(CC1)C(=O)c1ccccc1
O\N=C(/Nc1ccc(F)c(Br)c1)C(=O)C1CCN(CC1)c1ccccc1
O\N=C(/Nc1ccc(F)c(Br)c1)C(=O)[C@H]1CC[C@H](CNC(=O)c2ccccc2)CC1 |r,wU:14.14,wD:17.18,(17.77,-34.31,;16.44,-33.54,;16.44,-32,;17.77,-31.23,;17.77,-29.69,;16.44,-28.92,;16.44,-27.38,;17.77,-26.61,;17.76,-25.07,;19.1,-27.37,;20.43,-26.6,;19.11,-28.92,;15.1,-31.23,;15.1,-29.69,;13.77,-32,;13.78,-33.53,;12.45,-34.31,;11.11,-33.54,;9.78,-34.31,;8.44,-33.54,;7.11,-34.31,;7.11,-35.85,;5.77,-33.54,;5.78,-32,;4.45,-31.23,;3.11,-32.01,;3.12,-33.55,;4.45,-34.32,;11.11,-31.99,;12.44,-31.23,)|
O\N=C(/Nc1ccc(F)c(Br)c1)C(=O)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccccc1 |r,wU:14.14,wD:17.21,(60.7,-22.54,;59.37,-21.77,;59.37,-20.23,;60.7,-19.46,;60.7,-17.92,;59.37,-17.15,;59.37,-15.6,;60.7,-14.83,;60.7,-13.29,;62.04,-15.6,;63.37,-14.82,;62.04,-17.15,;58.04,-19.46,;58.04,-17.92,;56.7,-20.23,;56.71,-21.76,;55.38,-22.53,;54.04,-21.76,;54.04,-20.22,;55.38,-19.45,;52.71,-22.53,;52.71,-24.07,;51.37,-21.76,;51.37,-20.22,;52.71,-19.45,;52.71,-17.92,;51.37,-17.15,;50.04,-17.93,;50.04,-19.46,)|
O\N=C(/Nc1ccc(F)c(Br)c1)C(=O)[C@H]1CC[C@@H](CC1)NS(=O)(=O)Nc1ccccc1 |r,wU:14.14,wD:17.21,(44.45,-22.94,;43.11,-22.17,;43.11,-20.63,;44.45,-19.86,;44.45,-18.32,;43.11,-17.55,;43.12,-16.01,;44.45,-15.24,;44.44,-13.7,;45.78,-16,;47.11,-15.22,;45.79,-17.55,;41.78,-19.86,;41.78,-18.32,;40.45,-20.63,;40.46,-22.16,;39.13,-22.93,;37.79,-22.16,;37.79,-20.62,;39.12,-19.85,;36.45,-22.94,;35.12,-22.17,;34.34,-20.83,;35.89,-20.82,;33.79,-22.94,;32.45,-22.17,;32.46,-20.63,;31.12,-19.86,;29.79,-20.63,;29.8,-22.18,;31.13,-22.94,)|
NS(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)C(\Nc1ccc(F)c(Br)c1)=N\O |r,wU:9.12,wD:6.5,(12.8,-22.1,;14.13,-22.87,;14.89,-24.2,;13.36,-24.19,;15.47,-22.1,;16.81,-22.87,;18.14,-22.09,;19.48,-22.86,;20.81,-22.09,;20.8,-20.56,;19.47,-19.78,;18.14,-20.55,;22.13,-19.79,;22.14,-18.25,;23.47,-20.56,;24.8,-19.79,;24.8,-18.25,;23.47,-17.48,;23.47,-15.94,;24.8,-15.17,;24.79,-13.63,;26.13,-15.93,;27.47,-15.15,;26.14,-17.48,;23.47,-22.1,;24.8,-22.87,)|
O\N=C(\CC1CCCCC1)Nc1ccc(F)c(Br)c1
O\N=C(/Nc1ccc(F)c(Br)c1)C(=O)C1CCCCC1
O\N=C(/Nc1ccc(F)c(Br)c1)C(=O)c1ccccc1
O\N=C(/Nc1ccc(F)c(Br)c1)C(=O)c1ccco1
O\N=C(/Nc1ccc(F)c(Br)c1)C(=O)c1cccs1
O\N=C(/Nc1ccc(F)c(Br)c1)C(=O)c1cncs1
CS\C(SCc1ccc(Cl)cc1Cl)=N\C#N
CS\C(SCc1ccccc1)=N\C#N
CSC(=O)SC
COc1ccc(CCSC(=O)SCc2ccc(Cl)cc2Cl)cc1
OCc1ccc(CCSC(=O)SCc2ccc(Cl)cc2Cl)cc1
Oc1ccc(CCSC(=O)SCc2ccc(Cl)cc2Cl)cc1
Oc1ccc(CCSC(=O)SCc2ccccc2)cc1
Oc1cccc(CCSC(=O)SCc2ccc(Cl)cc2Cl)c1
Oc1cccc(CCSC(=O)SCc2ccccc2)c1
OCCSC(=O)SCc1ccc(Cl)cc1Cl
CC(C)(C)OC(=O)NCCSC(=O)SCc1ccc(Cl)cc1Cl
CC(C)(C)OC(=O)NCCSC(=O)SCc1ccccc1
NCCSC(=O)SCc1ccc(Cl)cc1Cl
NCCSC(=O)SCc1ccccc1
CC(C)(C)OC(=O)NCCOC(=O)SCc1ccc(Cl)cc1Cl
CC(C)(C)OC(=O)NCCOC(=O)SCc1ccccc1
NCCOC(=O)SCc1ccc(Cl)cc1Cl
NCCOC(=O)SCc1ccccc1
NC(COC(=O)SCc1ccccc1)C(O)=O
NC(COC(=O)SCc1ccccc1CCc1ccccc1)C(O)=O
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1cnc(OC)nc1 |r,wU:4.7,18.21,wD:1.0,(26.06,-2.33,;26.08,-3.87,;24.74,-3.1,;23.4,-3.86,;23.41,-5.4,;24.74,-6.17,;26.07,-5.41,;22.07,-6.17,;20.74,-5.41,;19.41,-6.19,;19.42,-7.71,;20.75,-8.47,;20.75,-10.01,;22.08,-10.78,;23.42,-10.01,;24.75,-10.78,;23.41,-8.46,;22.08,-7.7,;27.41,-3.1,;27.41,-1.56,;28.74,-3.87,;30.08,-3.1,;28.74,-5.41,;30.07,-6.18,;30.07,-7.72,;31.4,-8.49,;32.74,-7.72,;34.07,-8.49,;34.07,-10.03,;32.73,-6.17,;31.4,-5.41,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(OC)c(c1)N1CCOCC1 |r,wU:4.7,18.21,wD:1.0,(28.54,-48.21,;28.56,-49.75,;27.22,-48.98,;25.88,-49.75,;25.89,-51.29,;27.23,-52.06,;28.55,-51.29,;24.55,-52.06,;23.22,-51.3,;21.89,-52.07,;21.91,-53.6,;23.23,-54.36,;23.23,-55.9,;24.56,-56.67,;25.9,-55.9,;27.23,-56.67,;25.89,-54.35,;24.56,-53.59,;29.89,-48.99,;29.89,-47.45,;31.22,-49.76,;31.22,-51.29,;29.88,-52.06,;32.56,-52.07,;32.55,-53.61,;33.88,-54.38,;35.22,-53.61,;36.55,-54.38,;36.55,-55.92,;35.21,-52.06,;33.88,-51.3,;36.54,-51.29,;37.88,-52.06,;39.2,-51.3,;39.21,-49.76,;37.87,-48.99,;36.53,-49.76,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)C1CCCCC1 |r,wU:4.7,18.21,wD:1.0,(58.74,-36.76,;58.75,-38.3,;57.42,-37.53,;56.08,-38.3,;56.08,-39.83,;57.42,-40.6,;58.75,-39.84,;54.74,-40.6,;53.42,-39.84,;52.09,-40.62,;52.1,-42.15,;53.42,-42.9,;53.42,-44.45,;54.75,-45.22,;56.09,-44.44,;57.43,-45.21,;56.09,-42.89,;54.75,-42.13,;60.09,-37.53,;60.09,-35.99,;61.42,-38.3,;61.41,-39.84,;60.08,-40.6,;62.75,-40.61,;62.74,-42.15,;64.07,-42.92,;65.41,-42.15,;65.41,-40.6,;64.08,-39.84,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccccc1 |r,wU:4.7,18.21,wD:1.0,(9.78,-48.44,;9.8,-49.98,;8.46,-49.21,;7.12,-49.98,;7.13,-51.52,;8.47,-52.29,;9.79,-51.52,;5.79,-52.29,;4.46,-51.52,;3.14,-52.3,;3.15,-53.83,;4.47,-54.58,;4.47,-56.13,;5.8,-56.9,;7.14,-56.13,;8.47,-56.9,;7.13,-54.58,;5.8,-53.82,;11.13,-49.21,;11.13,-47.67,;12.47,-49.98,;12.46,-51.52,;11.12,-52.29,;13.8,-52.3,;13.79,-53.83,;15.12,-54.6,;16.46,-53.83,;16.46,-52.29,;15.12,-51.52,;17.78,-54.6,;17.78,-56.14,;19.11,-56.91,;20.45,-56.14,;20.45,-54.59,;19.11,-53.83,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccccc1Cl |r,wU:4.7,18.21,wD:1.0,(26.51,-37.19,;26.52,-38.73,;25.18,-37.96,;23.85,-38.73,;23.85,-40.27,;25.19,-41.04,;26.52,-40.27,;22.51,-41.04,;21.19,-40.28,;19.86,-41.05,;19.87,-42.58,;21.19,-43.34,;21.19,-44.88,;22.52,-45.65,;23.86,-44.88,;25.2,-45.65,;23.86,-43.33,;22.52,-42.57,;27.85,-37.96,;27.86,-36.42,;29.19,-38.74,;29.18,-40.27,;27.85,-41.04,;30.52,-41.05,;30.51,-42.58,;31.84,-43.36,;33.18,-42.59,;33.18,-41.04,;31.84,-40.28,;31.84,-38.74,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)C12CCC(Cl)(CC1)CC2 |r,wU:4.7,18.21,wD:1.0,(41.72,-37.44,;41.74,-38.98,;40.4,-38.21,;39.06,-38.98,;39.07,-40.52,;40.41,-41.29,;41.73,-40.52,;37.73,-41.29,;36.4,-40.52,;35.07,-41.3,;35.09,-42.83,;36.41,-43.58,;36.41,-45.13,;37.74,-45.9,;39.08,-45.13,;40.41,-45.9,;39.07,-43.58,;37.74,-42.82,;43.07,-38.21,;43.08,-36.67,;44.41,-38.98,;44.4,-40.52,;43.06,-41.29,;45.74,-41.29,;45.73,-42.83,;47.06,-43.6,;48.4,-42.83,;49.73,-43.6,;48.4,-41.29,;47.06,-40.52,;47.67,-41.67,;46.82,-42.38,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)CNC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(39.39,-24.34,;39.41,-25.88,;38.07,-25.11,;36.73,-25.88,;36.74,-27.41,;38.08,-28.18,;39.4,-27.42,;35.4,-28.18,;34.07,-27.42,;32.74,-28.2,;32.76,-29.72,;34.08,-30.48,;34.08,-32.03,;35.41,-32.8,;36.75,-32.02,;38.08,-32.79,;36.74,-30.47,;35.41,-29.71,;40.74,-25.11,;40.74,-23.57,;42.08,-25.88,;42.07,-27.42,;43.41,-28.19,;44.74,-27.42,;43.4,-29.73,;42.07,-30.49,;42.06,-32.03,;43.4,-32.8,;43.4,-34.34,;44.74,-32.03,;44.73,-30.49,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(55.56,-25.24,;55.58,-26.78,;54.24,-26.01,;52.9,-26.78,;52.91,-28.32,;54.25,-29.09,;55.57,-28.32,;51.57,-29.08,;50.24,-28.32,;48.91,-29.1,;48.92,-30.63,;50.25,-31.38,;50.25,-32.93,;51.58,-33.7,;52.92,-32.93,;54.25,-33.69,;52.91,-31.38,;51.58,-30.61,;56.91,-26.01,;56.91,-24.47,;58.24,-26.78,;58.24,-28.32,;56.9,-29.08,;59.58,-29.09,;59.57,-30.63,;60.9,-31.4,;62.24,-30.63,;63.57,-31.4,;62.23,-29.09,;60.9,-28.32,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1cccc(Cl)c1 |r,wU:4.7,18.21,wD:1.0,(10.18,-37.54,;10.19,-39.08,;8.86,-38.31,;7.52,-39.08,;7.53,-40.62,;8.86,-41.39,;10.19,-40.62,;6.19,-41.39,;4.86,-40.63,;3.53,-41.4,;3.54,-42.93,;4.87,-43.69,;4.86,-45.23,;6.2,-46,;7.54,-45.23,;8.87,-46,;7.53,-43.68,;6.19,-42.92,;11.53,-38.31,;11.53,-36.77,;12.86,-39.09,;12.86,-40.62,;11.52,-41.39,;14.19,-41.4,;14.19,-42.93,;15.52,-43.71,;16.85,-42.94,;16.85,-41.39,;18.18,-40.62,;15.52,-40.63,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)Nc1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(10.43,-24.73,;10.44,-26.27,;9.11,-25.49,;7.77,-26.26,;7.78,-27.8,;9.11,-28.57,;10.44,-27.81,;6.44,-28.57,;5.11,-27.81,;3.78,-28.59,;3.79,-30.11,;5.12,-30.87,;5.11,-32.41,;6.45,-33.18,;7.78,-32.41,;9.12,-33.18,;7.78,-30.86,;6.44,-30.1,;11.78,-25.5,;11.78,-23.96,;13.11,-26.27,;13.11,-27.81,;11.77,-28.58,;14.44,-28.58,;14.44,-30.12,;13.1,-30.88,;13.1,-32.42,;14.43,-33.19,;14.43,-34.73,;15.77,-32.41,;15.77,-30.88,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)Cc1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(25.53,-24.45,;25.54,-25.99,;24.2,-25.22,;22.87,-25.99,;22.87,-27.53,;24.21,-28.3,;25.54,-27.53,;21.53,-28.3,;20.21,-27.54,;18.88,-28.31,;18.89,-29.84,;20.21,-30.6,;20.21,-32.14,;21.54,-32.91,;22.88,-32.14,;24.22,-32.91,;22.88,-30.59,;21.54,-29.83,;26.87,-25.23,;26.88,-23.69,;28.21,-26,;28.21,-27.54,;26.87,-28.31,;29.54,-28.31,;29.54,-29.85,;28.2,-30.61,;28.2,-32.15,;29.53,-32.92,;29.53,-34.46,;30.87,-32.14,;30.87,-30.61,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 |r,wU:4.7,18.21,wD:1.0,(5,-8.36,;6.52,-8.62,;5.18,-9.39,;5.18,-10.94,;6.52,-11.71,;7.85,-10.94,;7.85,-9.39,;6.52,-13.26,;5.18,-14.03,;5.18,-15.56,;6.52,-16.34,;7.85,-15.57,;9.18,-16.34,;10.52,-15.57,;10.52,-14.02,;11.86,-13.24,;9.18,-13.26,;7.85,-14.03,;6.52,-7.07,;5.18,-6.31,;7.85,-6.31,;7.85,-4.76,;9.32,-4.28,;9.94,-2.87,;11.47,-2.71,;12.37,-3.96,;13.92,-3.78,;11.75,-5.36,;10.22,-5.53,;9.31,-6.77,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(59.87,-12.84,;59.89,-14.38,;58.55,-13.61,;57.21,-14.38,;57.22,-15.92,;58.56,-16.69,;59.88,-15.92,;55.88,-16.69,;54.55,-15.92,;53.23,-16.7,;53.24,-18.23,;54.56,-18.99,;54.56,-20.53,;55.89,-21.3,;57.23,-20.53,;58.56,-21.3,;57.22,-18.98,;55.89,-18.22,;61.22,-13.61,;61.23,-12.07,;62.56,-14.39,;62.55,-15.92,;61.77,-17.25,;61.01,-15.91,;63.89,-16.7,;63.88,-18.23,;65.21,-19.01,;66.55,-18.24,;67.88,-19.01,;66.55,-16.69,;65.21,-15.92,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)NC1CCCCC1 |r,wU:4.7,18.21,wD:1.0,(60,-1.62,;60.01,-3.16,;58.68,-2.39,;57.34,-3.16,;57.34,-4.69,;58.68,-5.47,;60.01,-4.7,;56,-5.46,;54.68,-4.7,;53.35,-5.48,;53.36,-7.01,;54.68,-7.76,;54.68,-9.31,;56.01,-10.08,;57.35,-9.31,;58.69,-10.07,;57.35,-7.76,;56.01,-6.99,;61.35,-2.39,;61.35,-.85,;62.68,-3.16,;64.01,-2.39,;62.68,-4.7,;64.01,-5.47,;64,-7.01,;65.32,-7.78,;66.66,-7.02,;66.67,-5.48,;65.33,-4.7,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)CNc1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(8.99,-13.38,;9,-14.92,;7.67,-14.15,;6.33,-14.92,;6.34,-16.45,;7.67,-17.23,;9,-16.46,;5,-17.22,;3.67,-16.46,;2.34,-17.24,;2.35,-18.77,;3.68,-19.52,;3.67,-21.07,;5.01,-21.84,;6.35,-21.07,;7.68,-21.83,;6.34,-19.52,;5,-18.75,;10.34,-14.15,;10.34,-12.61,;11.67,-14.92,;11.67,-16.46,;13,-17.23,;13,-18.77,;14.33,-19.54,;15.66,-18.77,;17,-19.54,;15.66,-17.23,;14.33,-16.46,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NCc1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(25.58,-13.32,;25.59,-14.86,;24.26,-14.08,;22.92,-14.85,;22.93,-16.39,;24.26,-17.16,;25.59,-16.4,;21.59,-17.16,;20.26,-16.4,;18.93,-17.18,;18.94,-18.7,;20.27,-19.46,;20.26,-21,;21.6,-21.77,;22.94,-21,;24.27,-21.77,;22.93,-19.45,;21.59,-18.69,;26.93,-14.09,;26.93,-12.55,;28.26,-14.86,;28.26,-16.4,;29.59,-17.17,;29.59,-18.71,;30.92,-19.48,;32.25,-18.71,;33.59,-19.48,;32.25,-17.16,;30.92,-16.4,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 |r,wU:4.7,18.21,23.26,wD:1.0,(43.93,-1.54,;43.94,-3.08,;42.61,-2.31,;41.27,-3.08,;41.27,-4.62,;42.61,-5.39,;43.94,-4.62,;39.94,-5.39,;38.61,-4.62,;37.28,-5.4,;37.29,-6.93,;38.61,-7.68,;38.61,-9.23,;39.95,-10,;41.28,-9.23,;42.62,-10,;41.28,-7.68,;39.94,-6.92,;45.28,-2.31,;45.28,-.77,;46.61,-3.08,;47.94,-2.32,;46.61,-4.62,;47.94,-5.4,;49.27,-4.63,;47.94,-6.94,;46.6,-7.69,;46.6,-9.23,;47.93,-10.01,;47.93,-11.55,;49.27,-9.23,;49.27,-7.69,)|
OC(=O)c1cc2c(Nc3ccc(F)c(Cl)c3)ccc(F)c2[nH]1
OC(=O)c1cc2c(Nc3ccc(F)c(Cl)c3)cccc2[nH]1
OC(=O)c1cc2c(Nc3ccc(F)c(Cl)c3)ccc(Cl)c2[nH]1
Cc1ccc(Nc2ccc(F)c(Cl)c2)c2cc([nH]c12)C(O)=O
COc1ccc(Nc2ccc(F)c(Cl)c2)c2cc([nH]c12)C(O)=O
OC(=O)c1cc2c(Nc3ccc(F)c(Cl)c3)ccc(C#N)c2[nH]1
COc1ccc(Nc2cc(NC(C)=O)cc3[nH]c(cc23)C(O)=O)cn1
CC(=O)Nc1ccc(Nc2ccc(F)c(Cl)c2)c2cc([nH]c12)C(O)=O
OC(=O)c1cc2c(Nc3ccc(F)c(Cl)c3)cc(F)cc2[nH]1
OC(=O)c1cc2c(Nc3ccc(F)c(Cl)c3)cc(Cl)cc2[nH]1
Cc1cc(Nc2ccc(F)c(Cl)c2)c2cc([nH]c2c1)C(O)=O
COc1cc(Nc2ccc(F)c(Cl)c2)c2cc([nH]c2c1)C(O)=O
OC(=O)c1cc2c(Nc3ccc(F)c(Cl)c3)cc(cc2[nH]1)C#N
OC(=O)c1cc2c(Nc3ccc(F)c(Cl)c3)cc(cc2[nH]1)[N+]([O-])=O
CC(=O)Nc1cc(Nc2ccc(F)c(Cl)c2)c2cc([nH]c2c1)C(O)=O
CCNc1cc(Nc2ccc(F)c(Cl)c2)c2cc([nH]c2c1)C(O)=O
Cc1cc(Nc2ccc(F)c(Cl)c2)c2cc(C(O)=O)n(C)c2c1
CC(=O)Nc1cc(Nc2ccc(F)c(Cl)c2)c2cc(sc2c1)C(O)=O
CC(=O)Nc1cc(Nc2ccc(F)cn2)c2cc([nH]c2c1)C(O)=O
Cc1cc2c(Nc3ccc(F)c(Cl)c3)ccc(F)c2[nH]1
Fc1ccc(Nc2ccc(F)c3[nH]ccc23)cc1Cl
OCc1cc2c(Nc3ccc(F)c(Cl)c3)ccc(F)c2[nH]1
NC(=O)c1cc2c(Nc3ccc(F)c(Cl)c3)ccc(F)c2[nH]1
ONC(=O)c1cc2c(Nc3ccc(F)c(Cl)c3)ccc(F)c2[nH]1
Fc1ccc(Nc2ccc(F)c3[nH]c(cc23)C#N)cc1Cl
N\C(=N/O)c1cc2c(Nc3ccc(F)c(Cl)c3)ccc(F)c2[nH]1
OC(=O)c1cc2c(Sc3ccc(F)c(Cl)c3)ccc(F)c2[nH]1
OC(=O)c1cc2c(NCc3ccc(F)c(Cl)c3)ccc(F)c2[nH]1
OC(=O)c1cc2c(NC(=O)c3ccc(F)c(Cl)c3)ccc(F)c2[nH]1
OC(=O)c1cc2c(ccc(F)c2[nH]1)C(=O)Nc1ccc(F)c(Cl)c1
OC(=O)c1cc2c(NC(=O)Cc3ccc(F)c(Cl)c3)ccc(F)c2[nH]1
OC(=O)c1cc2c(NC(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c2[nH]1
OC(=O)c1cc2c(Nc3ccc(F)c(F)c3)ccc(F)c2[nH]1
OC(=O)c1cc2c(Nc3ccc(F)c(Br)c3)ccc(F)c2[nH]1
COc1cc(Nc2ccc(F)c3[nH]c(cc23)C(O)=O)ccc1F
OC(=O)c1cc2c(Nc3ccc(F)c(OC(F)(F)F)c3)ccc(F)c2[nH]1
OC(=O)c1cc2c(Nc3ccc(F)c(c3)C#N)ccc(F)c2[nH]1
OC(=O)c1cc2c(Nc3ccc(Cl)c(Cl)c3)ccc(F)c2[nH]1
COc1ccc(Nc2ccc(F)c3[nH]c(cc23)C(O)=O)cc1Cl
OC(=O)c1cc2c(Nc3ccc(OC(F)(F)F)c(Cl)c3)ccc(F)c2[nH]1
OC(=O)c1cc2c(Nc3ccc(c(Cl)c3)C(F)(F)F)ccc(F)c2[nH]1
COc1cc(Nc2ccc(F)c3[nH]c(cc23)C(O)=O)cc(c1)C(F)(F)F
COc1cc(Cl)cc(Nc2ccc(F)c3[nH]c(cc23)C(O)=O)c1
OC(=O)c1cc2c(Nc3cc(Br)ccc3F)ccc(F)c2[nH]1
COc1ccc(C(O)=O)c(Nc2ccc(F)c3[nH]c(cc23)C(O)=O)c1
COc1cc(Nc2ccc(F)c3[nH]c(cc23)C(O)=O)cc(OC)c1OC
OC(=O)c1cc2c(Nc3cccc4[nH]ccc34)ccc(F)c2[nH]1
OC(=O)c1cc2c(Nc3ccc(F)c4[nH]ccc34)ccc(F)c2[nH]1
OC(=O)c1cc2c(Nc3ccc(F)c4[nH]c(cc34)C(O)=O)ccc(F)c2[nH]1
CC(=O)Nc1cc(Nc2cccc3[nH]ncc23)c2cc([nH]c2c1)C(O)=O
COc1cc(Nc2cc(NC(C)=O)cc3[nH]c(cc23)C(O)=O)cc(OC)c1OC
COc1ccc(Nc2cc(NC(C)=O)cc3[nH]c(cc23)C(O)=O)nc1
CCNC1=C\C(=N/c2ccc(F)c(Cl)c2)c2cc([nH]c2C1=O)C(O)=O |t:3|
CC(=O)Nc1cc(Nc2ccc(F)c(F)c2)c2cc([nH]c2c1)C(O)=O
COc1cc(Nc2cc(NC(C)=O)cc3[nH]c(cc23)C(O)=O)ccc1F
CCOc1cc(Nc2cc(NC(C)=O)cc3[nH]c(cc23)C(O)=O)ccc1F
CCCOc1cc(Nc2cc(NC(C)=O)cc3[nH]c(cc23)C(O)=O)ccc1F
CC(=O)Nc1cc(Nc2ccc(F)c(OC(F)(F)F)c2)c2cc([nH]c2c1)C(O)=O
CC(C)Oc1cc(Nc2cc(NC(C)=O)cc3[nH]c(cc23)C(O)=O)ccc1F
CC(=O)Nc1cc(Nc2ccc(F)c(OCC3CC3)c2)c2cc([nH]c2c1)C(O)=O
CC(=O)Nc1cc(Nc2ccc(F)c(OCC(F)(F)F)c2)c2cc([nH]c2c1)C(O)=O
CC(=O)Nc1cc(Nc2ccc(F)c(Oc3ccccc3)c2)c2cc([nH]c2c1)C(O)=O
CC(=O)Nc1cc(Nc2ccc(F)c(OCc3ccccc3)c2)c2cc([nH]c2c1)C(O)=O
CC(=O)Nc1cc(Nc2ccc(F)c(C)c2)c2cc([nH]c2c1)C(O)=O
CC(=O)Nc1cc(Nc2ccc(F)c(c2)C2CC2)c2cc([nH]c2c1)C(O)=O
CC(=O)Nc1cc(Nc2ccc(F)c(c2)-c2ccsc2)c2cc([nH]c2c1)C(O)=O
CC(=O)Nc1cc(Nc2ccc(F)cc2)c2cc([nH]c2c1)C(O)=O
COc1ccc(Nc2cc(NC(C)=O)cc3[nH]c(cc23)C(O)=O)cc1
CC(=O)Nc1cc(Nc2ccc(OC(F)F)cc2)c2cc([nH]c2c1)C(O)=O
CC(=O)Nc1cc(Nc2ccc(OC(F)(F)F)cc2)c2cc([nH]c2c1)C(O)=O
CC(=O)Nc1cc(Nc2ccc(cc2)C(F)(F)F)c2cc([nH]c2c1)C(O)=O
CC(=O)Nc1cc(Nc2ccc(F)nc2)c2cc([nH]c2c1)C(O)=O
OC(=O)c1cc2c(Nc3ccc(F)c(Cl)c3)ccc([N+]([O-])=O)c2[nH]1
Cn1c(cc2c(Nc3ccc(F)c(Cl)c3)ccc(F)c12)C(O)=O
NS(=O)(=O)N1CC[C@H](CNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)C1 |r|
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCC1CCCN(C1)S(=O)(=O)C(F)F
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCC1CCCN(C1)S(=O)(=O)C1CC1
NS(=O)(=O)N[C@@H]1CCC[C@@H](CNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)C1 |r|
NS(=O)(=O)N1CCCC(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)C1
NS(=O)(=O)N1CC[C@@H](CNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)C1 |r|
NS(=O)(=O)N1CCC[C@@H](CNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)C1 |r|
NS(=O)(=O)N1CCC[C@H](CNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)C1 |r|
NS(=O)(=O)N1CCCC[C@H]1CNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O |r|
CS(=O)(=O)N1CCC[C@H]1CNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O |r|
CS(=O)(=O)N1CCC[C@@H]1CNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O |r|
CS(=O)(=O)N1CC[C@@H](CNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)C1 |r|
CS(=O)(=O)N1CCC[C@@H](CNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)C1 |r|
CS(=O)(=O)N1CCC[C@H](CNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)C1 |r|
NS(=O)(=O)N1CCCCC1CNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NS(=O)(=O)N1CCCC(CNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)C1
NS(=O)(=O)N1CCC(CNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)CC1
CS(=O)(=O)N1CCCC(CNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)C1
CS(=O)(=O)N1CCCCC1CNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CCS(=O)(=O)N1CCCC(CNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)C1
CNS(=O)(=O)N1CCCC(CNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)C1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCC1CCCN(C1)S(=O)(=O)N1CCCC1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCC1CCCN(C1)S(=O)(=O)c1ccccc1
CS(=O)(=O)N1CCCC1CNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CS(=O)(=O)N1CCC(CNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)C1
CS(=O)(=O)N1CC[C@H](CNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)C1 |r|
CC(C)CC(=O)N1CCCc2cc(CNC(=O)c3ccsc3)ccc12
CC(C)CC(=O)N1CCCc2cc(CNC(=O)c3ccc(Cl)cc3)ccc12
c1cc(cc(c1)Cl)C(=O)N2CCCc3c2ccc(c3)CNC(=O)c4ccc(cc4)Cl
C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc2N(CCCc2c1)C(=O)c1cccc(Cl)c1 |r|
C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc2N(CCCc2c1)C(=O)c1cccc(Cl)c1 |r|
C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc2N(CCC(F)(F)c2c1)C(=O)c1cccc(Cl)c1 |r|
C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc2N(CCOc2c1)C(=O)c1cccc(Cl)c1 |r|
C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc2N(CCCc2n1)C(=O)c1cccc(Cl)c1 |r|
C[C@@H](NC(=O)c1ccc(Cl)cc1)c1cc2CCCN(C(=O)c3cccc(Cl)c3)c2cn1 |r|
CC(C)CC(=O)N1CCCc2cc(CNC(=O)c3ccc(Cl)cc3)cnc12
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)C(=O)c1cccc(Cl)c1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)C(=O)C1(CC1)C(F)(F)F |r|
COC(=O)N1CCCc2nc(ccc12)[C@@H](C)NC(=O)c1ccc(F)cc1 |r|
CCOC(=O)N1CCCc2nc(ccc12)[C@@H](C)NC(=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)C(=O)OCC(F)(F)F |r|
COCCOC(=O)N1CCCc2nc(ccc12)[C@@H](C)NC(=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)C(=O)OC1CC1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)C(=O)OC1CCC1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)C(=O)OC1COC1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1ccccn1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1cccnc1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1ccnc(C)c1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1cnccn1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1ncccn1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1ccncn1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1ccnc(C)n1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1ccnc(n1)C(F)(F)F |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1ccnc(n1)C#N |r|
O=C1c2nnn(c2C(=O)c2ccccc12)-c1ccccc1
CN1CCN(CC1)C(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
O=C1c2nnn(Cc3ccccc3)c2C(=O)c2ccccc12
Clc1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
Clc1cccc(c1)-n1nnc2c1C(=O)c1ccccc1C2=O
Clc1ccc(cc1)-n1nnc2c1C(=O)c1ccccc1C2=O
Clc1ccccc1-n1nnc2c1C(=O)c1ccccc1C2=O
Fc1cccc(c1)-n1nnc2c1C(=O)c1ccccc1C2=O
Fc1ccc(cc1)-n1nnc2c1C(=O)c1ccccc1C2=O
CC(=O)Nc1cccc(c1)-n1nnc2c1C(=O)c1ccccc1C2=O
OC(=O)c1cccc(c1)-n1nnc2c1C(=O)c1ccccc1C2=O
Cc1cccc(c1)-n1nnc2c1C(=O)c1ccccc1C2=O
[O-][N+](=O)c1cccc(c1)-n1nnc2c1C(=O)c1ccccc1C2=O
O=C1c2nnn(c2C(=O)c2ccccc12)-c1ccc(cc1)C#N
[O-][N+](=O)c1ccc(cc1)-n1nnc2c1C(=O)c1ccccc1C2=O
COC(=O)c1ccc(cc1)-n1nnc2c1C(=O)c1ccccc1C2=O
NS(=O)(=O)c1ccc(cc1)-n1nnc2c1C(=O)c1ccccc1C2=O
CN1CCN(CC1)c1ccc(cc1)-n1nnc2c1C(=O)c1ccccc1C2=O
O=C1c2nnn(c2C(=O)c2ccccc12)-c1ccc(cc1)-c1nnn[nH]1
Fc1ccc(cc1Cl)-n1nnc2c1C(=O)c1ccccc1C2=O
FC(F)(F)c1ccc(cc1Cl)-n1nnc2c1C(=O)c1ccccc1C2=O
Clc1ccc(cc1Cl)-n1nnc2c1C(=O)c1ccccc1C2=O
Fc1c(Cl)cc(cc1Cl)-n1nnc2c1C(=O)c1ccccc1C2=O
[O-][N+](=O)c1cc(ccc1Cl)-n1nnc2c1C(=O)c1ccccc1C2=O
Fc1cc(ccc1Cl)-n1nnc2c1C(=O)c1ccccc1C2=O
O=C1c2nnn(c2C(=O)c2ccccc12)-c1ccc2[nH]cnc2c1
O=C1c2nnn(c2C(=O)c2ccccc12)-c1ccc2[nH]ncc2c1
O=C1c2nnn(c2C(=O)c2ccccc12)-c1ccc2ccncc2c1
O=C1c2nnn(c2C(=O)c2ccccc12)-c1cccnc1
Clc1cc(cnc1Cl)-n1nnc2c1C(=O)c1ccccc1C2=O
Clc1ccc(cn1)-n1nnc2c1C(=O)c1ccccc1C2=O
Oc1ccc2C(=O)c3c(nnn3-c3ccc(F)c(Cl)c3)C(=O)c2c1
COc1ccc2C(=O)c3c(nnn3-c3ccc(F)c(Cl)c3)C(=O)c2c1
Fc1ccc2C(=O)c3c(nnn3-c3ccc(F)c(Cl)c3)C(=O)c2c1
Oc1ccc2C(=O)c3nnn(c3C(=O)c2c1)-c1ccc(F)c(Cl)c1
COc1ccc2C(=O)c3nnn(c3C(=O)c2c1)-c1ccc(F)c(Cl)c1
Fc1ccc2C(=O)c3nnn(c3C(=O)c2c1)-c1ccc(F)c(Cl)c1
O\N=C(\Cc1ccc(Cl)c(Cl)c1)Nc1ccc([N+]([O-])=O)c2nonc12
O\N=C(\Cc1ccc(F)cc1F)Nc1ccc([N+]([O-])=O)c2nonc12
O\N=C(\Cc1ccc(F)c(F)c1)Nc1ccc([N+]([O-])=O)c2nonc12
O\N=C(\Cc1ccc(F)cc1)Nc1ccc([N+]([O-])=O)c2nonc12
O\N=C(\Cc1ccc(Br)cc1)Nc1ccc([N+]([O-])=O)c2nonc12
O\N=C(\Cc1ccc(Cl)cc1)Nc1ccc([N+]([O-])=O)c2nonc12
COc1ccc(C\C(Nc2ccc([N+]([O-])=O)c3nonc23)=N\O)cc1
O\N=C(\Cc1cccc(Cl)c1)Nc1ccc([N+]([O-])=O)c2nonc12
O\N=C(\Cc1cccc(F)c1)Nc1ccc([N+]([O-])=O)c2nonc12
O\N=C(\Cc1ccccc1F)Nc1ccc([N+]([O-])=O)c2nonc12
O\N=C(/Nc1ccc([N+]([O-])=O)c2nonc12)c1ccc(F)c(Br)c1
O\N=C(/Nc1ccc([N+]([O-])=O)c2nonc12)c1ccc(F)c(Cl)c1
O\N=C(/Nc1ccc([N+]([O-])=O)c2nonc12)c1ccc(Br)cc1
O\N=C(/Nc1ccc([N+]([O-])=O)c2nonc12)c1ccc(Cl)cc1
O\N=C(/Nc1ccc([N+]([O-])=O)c2nonc12)c1ccc(F)cc1
Cc1ccc(cc1)C(\Nc1ccc([N+]([O-])=O)c2nonc12)=N\O
O\N=C(/Nc1ccc([N+]([O-])=O)c2nonc12)c1cccc(Br)c1
O\N=C(/Nc1ccc([N+]([O-])=O)c2nonc12)c1cccc(Cl)c1
O\N=C(/Nc1ccc([N+]([O-])=O)c2nonc12)c1cccc(F)c1
Cc1cccc(c1)C(\Nc1ccc([N+]([O-])=O)c2nonc12)=N\O
O\N=C(/Nc1ccc([N+]([O-])=O)c2nonc12)c1ccccc1Br
O\N=C(/Nc1ccc([N+]([O-])=O)c2nonc12)c1ccccc1Cl
O\N=C(/Nc1ccc([N+]([O-])=O)c2nonc12)c1ccccc1F
O\N=C(\Cc1ccccc1)Nc1ccc([N+]([O-])=O)c2nonc12
O\N=C(/Nc1ccc([N+]([O-])=O)c2nonc12)c1ccccc1
COc1cc(OC)cc(Sc2c[nH]c3c(Cl)c(Cl)ccc23)c1
COc1cc(OC)cc(Sc2c[nH]c3cc(Cl)ccc23)c1
COc1cc(OC)cc(Sc2c[nH]c3c(Cl)cccc23)c1
COc1cc(OC)cc(Sc2c[nH]c3ncccc23)c1
COc1cc(OC)cc(Sc2c[nH]c3cccc(Cl)c23)c1
COc1cc(OC)cc(Sc2c[nH]c3ccccc23)c1
COc1cc(Sc2c[nH]c3ccc(Cl)cc23)cc(OC)c1OC
Cc1cc(C)cc(Sc2c[nH]c3ccc(Cl)cc23)c1
COc1cc(OC)cc(Sc2c(C)[nH]c3ccc(Cl)cc23)c1
COc1cc(OC)cc(Sc2c[nH]c3ccc(Cl)cc23)c1
COc1ccc(Sc2c[nH]c3ccc(Cl)cc23)c(OC)c1
CCOc1ccc2[nH]cc(Sc3ccccc3OC)c2c1
COc1ccccc1Sc1c[nH]c2ccc(I)cc12
COc1ccccc1Sc1c[nH]c2ccc(Br)cc12
COc1ccccc1Sc1c[nH]c2ccc(F)cc12
Cc1ccc(Sc2c[nH]c3ccc(Cl)cc23)cc1
Cc1cccc(Sc2c[nH]c3ccc(Cl)cc23)c1
Cc1ccccc1Sc1c[nH]c2ccc(Cl)cc12
COc1ccc(Sc2c[nH]c3ccc(Cl)cc23)cc1
COc1cccc(Sc2c[nH]c3ccc(Cl)cc23)c1
COC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1OC
Clc1ccc2[nH]cc(Sc3ccccc3)c2c1
COc1ccccc1Cc1c[nH]c2ccc(Cl)cc12
COc1ccccc1C(=O)c1c[nH]c2ccc(Cl)cc12
COc1ccccc1S(=O)(=O)c1c[nH]c2ccc(Cl)cc12
COc1ccccc1Sc1c[nH]c2ccc(Cl)cc12
Brc1cccc(c1)C(Cn1ccnc1)OCc1nc2ccccc2s1
Brc1ccc(cc1)C(Cn1ccnc1)OCc1nc2ccccc2s1
Fc1cc(ccc1Cl)C(Cn1ccnc1)OCc1nc2ccccc2s1
Clc1ccc(cc1Cl)C(Cn1ccnc1)OCc1nc2ccccc2s1
Clc1ccccc1C(Cn1ccnc1)OCc1nc2ccccc2s1
Clc1cccc(c1)C(Cn1ccnc1)OCc1nc2ccccc2s1
Clc1ccc(cc1)C(Cn1ccnc1)OCc1nc2ccccc2s1
Fc1ccc(cc1F)C(Cn1ccnc1)OCc1nc2ccccc2s1
Fc1ccc(C(Cn2ccnc2)OCc2nc3ccccc3s2)c(F)c1
Fc1ccc(cc1)C(Cn1ccnc1)OCc1nc2ccccc2s1
Clc1ccc(C(Cn2ccnc2)OCc2cccnc2)c(Cl)c1
Clc1ccc(C(Cn2ccnc2)OCc2ccsc2)c(Cl)c1
Clc1ccc(C(Cn2ccnc2)OCc2cccc3ccccc23)c(Cl)c1
Clc1ccc(C(Cn2ccnc2)OCc2ccc3ccccc3c2)c(Cl)c1
Clc1ccc(C(Cn2ccnc2)OCc2nc3ccccc3s2)c(Cl)c1
Clc1ccc(C(Cn2ccnc2)OCc2nc3ccccc3o2)c(Cl)c1
Clc1ccc(C(Cn2ccnc2)OCc2cc3ccccc3s2)c(Cl)c1
Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1
CCC([C@H]1CC[C@H](CC1)c1ccnc2ccc(cc12)C(F)(F)F)c1nc2ncc(Cl)cc2[nH]1 |r,wU:6.9,3.2,(5.53,-5.77,;5.53,-7.31,;6.87,-8.07,;6.87,-9.62,;8.2,-10.39,;8.2,-11.94,;6.87,-12.7,;5.53,-11.94,;5.53,-10.39,;6.87,-14.25,;5.52,-15.02,;5.52,-16.57,;6.87,-17.35,;8.21,-16.56,;9.55,-17.33,;10.88,-16.55,;10.87,-15,;9.53,-14.24,;8.21,-15.02,;12.2,-14.22,;13.54,-14.98,;12.19,-12.68,;13.53,-13.44,;8.2,-7.31,;8.2,-5.76,;9.66,-5.28,;10.29,-3.87,;11.82,-3.71,;12.72,-4.96,;14.26,-4.78,;12.09,-6.36,;10.56,-6.53,;9.66,-7.77,)|
CCC([C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12)c1nc2ccc(Cl)cc2[nH]1 |r,wU:6.9,wD:3.2,(5.76,-6.95,;5.77,-8.49,;7.1,-9.26,;7.1,-10.8,;5.77,-11.58,;5.77,-13.13,;7.1,-13.9,;8.44,-13.13,;8.44,-11.58,;7.1,-15.45,;8.43,-16.22,;8.43,-17.76,;9.77,-18.53,;11.1,-17.76,;11.09,-16.21,;12.41,-15.44,;12.41,-13.91,;11.07,-13.15,;9.75,-13.92,;9.76,-15.44,;8.44,-8.49,;8.43,-6.94,;9.9,-6.46,;10.53,-5.05,;12.06,-4.89,;12.96,-6.14,;14.51,-5.96,;12.33,-7.54,;10.8,-7.71,;9.9,-8.96,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)C(CC)c1nc2ncc(Cl)cc2[nH]1 |r,wU:4.7,wD:1.0,(4.82,-9.26,;6.33,-9.52,;5,-10.3,;5,-11.84,;6.33,-12.61,;7.67,-11.84,;7.67,-10.3,;6.33,-14.16,;5,-14.93,;5,-16.47,;6.34,-17.24,;7.66,-16.47,;8.99,-17.24,;10.33,-16.47,;10.34,-14.92,;11.67,-14.14,;8.99,-14.16,;7.67,-14.93,;6.33,-7.98,;5,-7.21,;5,-5.67,;7.67,-7.21,;7.67,-5.66,;9.13,-5.18,;9.76,-3.77,;11.29,-3.61,;12.19,-4.86,;13.73,-4.68,;11.56,-6.26,;10.03,-6.43,;9.13,-7.68,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)C(CC)c1nc2ccc(Cl)cc2[nH]1 |r,wU:4.7,wD:1.0,(4.71,-8.61,;6.22,-8.87,;4.89,-9.64,;4.89,-11.19,;6.22,-11.96,;7.56,-11.19,;7.56,-9.64,;6.22,-13.51,;4.89,-14.28,;4.89,-15.82,;6.23,-16.59,;7.56,-15.82,;8.88,-16.59,;10.22,-15.82,;10.23,-14.27,;11.56,-13.49,;8.88,-13.51,;7.56,-14.27,;6.22,-7.32,;4.89,-6.55,;4.89,-5.02,;7.56,-6.56,;7.56,-5.01,;9.02,-4.53,;9.65,-3.12,;11.18,-2.96,;12.08,-4.21,;13.62,-4.03,;11.45,-5.61,;9.92,-5.78,;9.02,-7.02,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1nc2ncc(Cl)cc2[nH]1 |r,wU:4.7,18.21,wD:1.0,(4.37,-8.37,;5.88,-8.63,;4.55,-9.4,;4.55,-10.95,;5.88,-11.71,;7.22,-10.95,;7.22,-9.4,;5.88,-13.27,;4.54,-14.04,;4.54,-15.57,;5.89,-16.35,;7.21,-15.57,;8.54,-16.35,;9.88,-15.58,;9.88,-14.03,;11.22,-13.25,;8.54,-13.26,;7.22,-14.03,;5.88,-7.08,;4.55,-6.31,;7.22,-6.31,;7.21,-4.77,;8.68,-4.29,;9.31,-2.88,;10.83,-2.72,;11.74,-3.96,;13.28,-3.79,;11.11,-5.37,;9.58,-5.54,;8.68,-6.78,)|
CCOCC(Nc1nnc(o1)-c1ccc(OC)cc1)[C@H]1CC[C@H](CC1)c1ccnc2ccc(cc12)C(F)(F)F |r,wU:22.27,19.20,(1.64,-6.69,;2.97,-5.91,;4.31,-6.68,;5.64,-5.9,;6.98,-6.68,;8.32,-5.9,;9.65,-6.68,;9.98,-8.17,;11.53,-8.35,;12.15,-6.97,;10.99,-5.9,;13.64,-6.57,;14.04,-5.09,;15.52,-4.69,;16.62,-5.78,;18.1,-5.38,;18.5,-3.88,;16.22,-7.26,;14.74,-7.67,;6.98,-8.21,;8.32,-8.99,;8.32,-10.54,;6.98,-11.3,;5.64,-10.54,;5.64,-8.99,;6.98,-12.85,;5.65,-13.62,;5.65,-15.16,;6.99,-15.94,;8.32,-15.16,;9.65,-15.92,;10.98,-15.14,;10.97,-13.61,;9.64,-12.85,;8.32,-13.62,;12.3,-12.84,;13.64,-13.6,;12.3,-11.3,;13.63,-12.06,)|
COCC(Nc1nnc(o1)-c1ccc(OC)cc1)[C@H]1CC[C@H](CC1)c1ccnc2ccc(F)cc12 |r,wU:21.26,18.19,(3.5,-4.34,;4.84,-5.11,;6.17,-4.33,;7.51,-5.11,;8.85,-4.33,;10.18,-5.11,;10.51,-6.6,;12.05,-6.78,;12.67,-5.4,;11.52,-4.33,;14.17,-5,;14.57,-3.51,;16.05,-3.12,;17.15,-4.2,;18.63,-3.8,;19.03,-2.31,;16.74,-5.69,;15.26,-6.1,;7.51,-6.64,;8.85,-7.42,;8.85,-8.96,;7.51,-9.73,;6.17,-8.96,;6.17,-7.42,;7.51,-11.28,;6.18,-12.05,;6.18,-13.58,;7.52,-14.36,;8.85,-13.58,;10.18,-14.35,;11.5,-13.57,;11.5,-12.04,;12.83,-11.26,;10.17,-11.28,;8.85,-12.04,)|
CCC(Nc1nnc(o1)-c1ccc(OC)cc1)[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12 |r,wU:20.25,wD:17.18,(11.06,-9.62,;12.39,-8.85,;13.73,-9.62,;15.07,-8.85,;16.41,-9.62,;16.74,-11.12,;18.28,-11.3,;18.9,-9.92,;17.75,-8.85,;20.4,-9.52,;20.8,-8.03,;22.29,-7.63,;23.38,-8.72,;24.87,-8.32,;25.27,-6.82,;22.98,-10.2,;21.5,-10.62,;13.73,-11.16,;12.39,-11.94,;12.39,-13.49,;13.73,-14.26,;15.07,-13.49,;15.07,-11.94,;13.73,-15.8,;15.05,-16.57,;15.05,-18.1,;16.37,-18.86,;17.69,-18.1,;17.68,-16.56,;18.99,-15.8,;18.99,-14.28,;17.66,-13.52,;16.36,-14.29,;16.37,-15.8,)|
CCC(Nc1nnc(o1)-c1ccc(OC)cc1)[C@H]1CC[C@H](CC1)c1ccnc2c(F)cc(F)cc12 |r,wU:20.25,17.18,(3.44,-6.79,;4.77,-6.02,;6.11,-6.79,;7.45,-6.02,;8.78,-6.79,;9.11,-8.29,;10.65,-8.46,;11.27,-7.08,;10.11,-6.02,;12.76,-6.68,;13.16,-5.2,;14.65,-4.8,;15.74,-5.89,;17.22,-5.49,;17.62,-4,;15.34,-7.37,;13.86,-7.78,;6.11,-8.33,;7.45,-9.1,;7.45,-10.65,;6.11,-11.42,;4.77,-10.65,;4.77,-9.1,;6.11,-12.96,;4.78,-13.73,;4.78,-15.27,;6.12,-16.05,;7.44,-15.27,;8.78,-16.03,;8.79,-17.57,;10.1,-15.25,;10.1,-13.72,;11.43,-12.96,;8.76,-12.96,;7.45,-13.73,)|
CCC(Nc1nnc(o1)-c1ccc(OC)cc1)[C@H]1CC[C@H](CC1)c1ccnc2ccc(cc12)C(F)(F)F |r,wU:20.25,17.18,(3.21,-6.32,;4.54,-5.54,;5.87,-6.32,;7.22,-5.54,;8.55,-6.32,;8.88,-7.82,;10.42,-7.99,;11.04,-6.61,;9.89,-5.54,;12.53,-6.21,;12.93,-4.73,;14.42,-4.33,;15.51,-5.42,;17,-5.02,;17.4,-3.53,;15.11,-6.9,;13.63,-7.31,;5.87,-7.86,;7.22,-8.63,;7.22,-10.18,;5.87,-10.95,;4.54,-10.18,;4.54,-8.63,;5.87,-12.49,;4.54,-13.26,;4.54,-14.8,;5.89,-15.58,;7.21,-14.8,;8.55,-15.56,;9.87,-14.78,;9.87,-13.25,;8.53,-12.5,;7.22,-13.26,;11.2,-12.49,;12.54,-13.26,;11.21,-10.95,;12.53,-11.71,)|
CCC(Nc1nnc(o1)-c1ccc(OC)cc1)[C@H]1CC[C@H](CC1)c1ccnc2ccc(F)cc12 |wU:20.25,17.18,(1.91,-2.89,;3.24,-2.12,;4.57,-2.89,;5.91,-2.12,;7.24,-2.89,;7.58,-4.39,;9.11,-4.56,;9.73,-3.19,;8.58,-2.12,;11.22,-2.79,;11.62,-1.3,;13.1,-.91,;14.19,-2,;15.68,-1.6,;16.08,-.11,;13.8,-3.48,;12.31,-3.88,;4.57,-4.43,;5.91,-5.2,;5.91,-6.74,;4.57,-7.51,;3.24,-6.74,;3.24,-5.2,;4.57,-9.05,;3.24,-9.82,;3.24,-11.36,;4.58,-12.13,;5.91,-11.36,;7.25,-12.12,;8.57,-11.35,;8.56,-9.82,;9.89,-9.05,;7.23,-9.06,;5.91,-9.82,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1nc2cc(F)ccc2[nH]1 |wU:4.7,18.21,wD:1.0,(2.35,-2.85,;3.84,-3.25,;2.51,-4.02,;2.51,-5.56,;3.84,-6.33,;5.18,-5.56,;5.18,-4.02,;3.84,-7.87,;2.51,-8.64,;2.51,-10.18,;3.85,-10.95,;5.18,-10.18,;6.51,-10.94,;7.83,-10.16,;7.83,-8.64,;9.16,-7.87,;6.5,-7.88,;5.18,-8.64,;3.84,-1.71,;2.51,-.94,;5.18,-.94,;5.18,.6,;6.68,1.07,;7.29,2.43,;8.79,2.58,;9.56,3.92,;9.67,1.37,;9.06,-0,;7.56,-.15,;6.64,-1.4,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)Nc1nnc(o1)-c1ccc(OC)cc1 |wU:4.7,18.21,wD:1.0,(1.38,-4.24,;2.86,-4.64,;1.53,-5.41,;1.53,-6.95,;2.86,-7.72,;4.2,-6.95,;4.2,-5.41,;2.86,-9.26,;1.53,-10.02,;1.53,-11.56,;2.87,-12.34,;4.2,-11.56,;5.54,-12.33,;6.86,-11.55,;6.85,-10.02,;8.18,-9.25,;5.52,-9.26,;4.2,-10.03,;2.86,-3.1,;1.53,-2.33,;4.2,-2.33,;5.53,-3.1,;5.86,-4.59,;7.4,-4.76,;8.02,-3.39,;6.86,-2.33,;9.51,-2.99,;9.91,-1.51,;11.39,-1.11,;12.48,-2.2,;13.97,-1.8,;14.37,-.31,;12.09,-3.68,;10.6,-4.09,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1nnc(Nc2ccc(OC)cc2)o1 |r,wU:4.7,18.21,wD:1.0,(9.31,-12.75,;10.8,-13.14,;9.46,-13.91,;9.46,-15.45,;10.8,-16.23,;12.13,-15.45,;12.13,-13.91,;10.8,-17.76,;9.47,-18.54,;9.47,-20.08,;10.81,-20.85,;12.14,-20.07,;13.47,-20.84,;14.8,-20.06,;14.79,-18.54,;16.13,-17.77,;13.46,-17.77,;12.14,-18.54,;10.8,-11.6,;9.46,-10.83,;12.13,-10.83,;12.13,-9.29,;13.64,-8.83,;14.51,-10.04,;16.06,-10.04,;16.83,-8.71,;18.36,-8.72,;19.13,-7.39,;18.36,-6.05,;19.13,-4.72,;20.66,-4.72,;16.81,-6.06,;16.05,-7.39,;13.6,-11.29,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1nnc([nH]1)-c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(10.76,-8.31,;12.25,-8.71,;10.91,-9.48,;10.91,-11.02,;12.25,-11.79,;13.58,-11.02,;13.58,-9.48,;12.25,-13.33,;10.91,-14.1,;10.91,-15.64,;12.25,-16.41,;13.58,-15.63,;14.92,-16.4,;16.24,-15.62,;16.23,-14.1,;17.57,-13.33,;14.9,-13.33,;13.58,-14.1,;12.25,-7.17,;10.91,-6.4,;13.58,-6.4,;13.58,-4.86,;15.08,-4.4,;15.95,-5.61,;15.04,-6.86,;17.49,-5.61,;18.26,-4.28,;19.8,-4.29,;20.57,-5.62,;22.11,-5.62,;19.81,-6.95,;18.27,-6.95,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1nnc(o1)-c1ccc(Cl)cc1 |wU:4.7,18.21,wD:1.0,(1.62,-2.28,;3.11,-2.68,;1.77,-3.45,;1.77,-4.99,;3.11,-5.76,;4.44,-4.99,;4.44,-3.45,;3.11,-7.3,;1.78,-8.07,;1.78,-9.61,;3.12,-10.38,;4.45,-9.6,;5.78,-10.37,;7.1,-9.59,;7.09,-8.07,;8.43,-7.3,;5.76,-7.31,;4.44,-8.07,;3.11,-1.14,;1.77,-.37,;4.44,-.37,;4.44,1.17,;5.94,1.64,;6.82,.42,;5.9,-.83,;8.36,.42,;9.13,1.75,;10.67,1.75,;11.44,.41,;12.98,.41,;10.67,-.91,;9.13,-.92,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1ncc([nH]1)-c1ccc(Cl)cc1 |wU:4.7,18.21,wD:1.0,(1.05,-4.65,;2.54,-5.04,;1.2,-5.81,;1.2,-7.35,;2.54,-8.12,;3.87,-7.35,;3.87,-5.81,;2.54,-9.66,;1.21,-10.43,;1.21,-11.97,;2.55,-12.74,;3.88,-11.97,;5.21,-12.73,;6.53,-11.96,;6.52,-10.43,;7.86,-9.66,;5.19,-9.67,;3.87,-10.43,;2.54,-3.5,;1.2,-2.73,;3.87,-2.73,;3.87,-1.19,;5.37,-.73,;6.25,-1.95,;5.33,-3.19,;7.79,-1.95,;8.56,-.61,;10.1,-.61,;10.87,-1.95,;12.41,-1.95,;10.1,-3.28,;8.56,-3.29,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1ncc(o1)-c1ccc(Cl)cc1 |r,wU:18.21,4.7,wD:1.0,(30.72,-25.2,;32.21,-25.6,;30.88,-26.38,;30.88,-27.92,;32.21,-28.69,;33.55,-27.92,;33.55,-26.38,;32.21,-30.23,;30.88,-31,;30.88,-32.54,;32.22,-33.31,;33.55,-32.54,;34.89,-33.3,;36.21,-32.53,;36.2,-31,;37.53,-30.23,;34.87,-30.23,;33.55,-31.01,;32.21,-24.06,;30.88,-23.29,;33.55,-23.29,;33.55,-21.75,;35.05,-21.28,;35.93,-22.5,;35.01,-23.75,;37.47,-22.5,;38.25,-23.84,;39.79,-23.83,;40.55,-22.5,;42.09,-22.5,;39.78,-21.17,;38.24,-21.17,)|
CC(c1ccc(cc1)N1CCN(C)CC1)c1ccc2Sc3ccccc3Nc2c1
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCc2c1)C(=O)C1CCOCC1 |r|
Nc1nonc1\C(=N\O)N1Cc2ccccc2C1
Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)CC(C)C)[C@H]3C[C@H]3C(=O)O
Fc1ccc(NC(=O)CSc2nc(ccc2C(F)(F)F)C#N)cc1Cl
OC1(C(C(=O)c2ccccc2)c2ccccc2)C(=O)Nc2c1cc(Cl)cc2Cl
NC(=O)c1n[nH]nc1-c1ccc(F)c(F)c1
NS(=O)(=O)NCCNC(=O)c1n[nH]nc1-c1ccc(F)cc1
O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1ccc2OCOc2c1
Brc1ccc(cc1)-c1csc2ncc(CNC(=O)Cn3cc(nn3)C3CC3)n12
COP(C)(=O)NCCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Br)c1)c1cccc2cn[nH]c12
CC(C)CN(CC(C)C)c1ccc(cc1NCNc1nc(ns1)C(F)(F)F)[C@H](C)CC(O)=O |r|
CC(C)CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccc(Br)cc1F)-c1c(ccc2ccccc12)C(O)=O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCNC(=O)Cc1cccc(c1)N(CCCl)CCCl
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCNCCOCCOCCOCCOCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
CC1(C)C(=C)OC2=C1C(=O)c1ccccc1C2=O |c:6|
Cc1c(C)c2ccccc2n1CC(O)CNc1ccccc1
c1ccc2c(c1)c3ccncc3[nH]2
Cc1ccsc1C(=O)CC1=C(C)C(=O)c2ccccc2C1=O |c:10|
COC1=C(OC)C(=O)C(Nc2cccc(Br)c2)=CC1=O |c:2,17|
O=C1c2nnn(Cc3ccccc3)c2C(=O)c2nnn(Cc3ccccc3)c12
CC1(C)C(=O)C=Cc2c1ccc1-c3occ(CO)c3C(=O)C(=O)c21 |c:5|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])cc1-[#8] |r|
OC(=O)C[C@H]1CNC(=S)c2cc(Br)c(Br)n12 |r|
CCOc1cc(cc(OCC)c1OCC)C(=O)NC(=S)Nc1c(O)ccc2ccccc12
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCNc1ccc([N+]([O-])=O)c2nonc12
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCNC(=O)CNc1ccc([N+]([O-])=O)c2nonc12
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCNC(=O)CCNc1ccc([N+]([O-])=O)c2nonc12
[H][C@@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:18.21,4.7,1.0,(18.32,-5.63,;19.66,-6.4,;18.33,-7.18,;18.33,-8.72,;19.66,-9.48,;20.99,-8.72,;20.99,-7.18,;19.66,-11.02,;18.33,-11.79,;18.33,-13.33,;19.66,-14.1,;21,-13.32,;22.33,-14.08,;23.65,-13.31,;23.64,-11.77,;24.97,-10.98,;22.31,-11.01,;20.99,-11.79,;19.66,-4.86,;18.33,-4.09,;21,-4.09,;21,-2.55,;22.33,-4.86,;23.67,-4.09,;25,-4.87,;26.33,-4.1,;26.33,-2.56,;27.66,-1.79,;24.99,-1.79,;23.66,-2.56,)|
C[C@H](C1CCC2C(CCCN2C(=O)c2cccc(Cl)c2)C1)C(=O)Nc1ccc(F)cc1 |r|
Fc1ccc(NC(=O)C2(CCC2)C2CCC3C(CCCN3C(=O)c3cccc(Cl)c3)C2)cc1
Fc1ccc(NC(=O)C2(CCC2)C2CCC3C(CCCN3C(=O)C3CC3)C2)cc1
Cc1nccc(n1)N1CCCC2CC(CCC12)C1(CCC1)C(=O)Nc1ccc(F)cc1
Fc1ccc(NC(=O)C2(CCC2)C2CCC3C(CCCN3c3ccnc(n3)C(F)(F)F)C2)cc1
Fc1ccc(NC(=O)CN2CCC3C(CCCN3C(=O)c3cccc(Cl)c3)C2)cc1
CC(N1CCC2C(CCCN2C(=O)OC2CC2)C1)C(=O)Nc1ccc(Cl)cc1
CC(N1CCC2C(CCCN2c2ccnc(C)n2)C1)C(=O)Nc1ccc(Cl)cc1
CC(N1CCC2C(CCCN2c2ccnc(n2)C(F)(F)F)C1)C(=O)Nc1ccc(Cl)cc1
CC(N1CCC2C(CCN2C(=O)OC2CC2)C1)C(=O)Nc1ccc(Cl)cc1
CC(N1CCc2c(C1)cnn2-c1ccnc(C)n1)C(=O)Nc1ccc(Cl)cc1
Fc1ccc2c(\C=C\c3cccnc3)c[nH]c2c1
Cl\N=C1\C=CC=C\C\1=N\Cl |c:3,5|
Oc1c(cc([N+]([O-])=O)c2cccnc12)[N+]([O-])=O
Oc1ccccc1-c1nc2c([nH]1)c1ccccc1c1ccccc21
Oc1c(cc(F)c2cccnc12)[N+]([O-])=O
NS(=O)(=O)c1ccc(cc1)\N=N\c1ccc(O)[nH]c1=O
COCCn1c2ccccc2nc2c1nc(=O)n(-c1ccccc1)c2=O
CN(C)Cc1cc(=O)n(C)c2c3OCn4c3c(cc12)c(C)cc4=O
CC1Oc2cc3c(c(O)cc(O)c3c(O)c2C(=O)C1C)-c1c(O)cc(O)c2c(O)c3C(=O)C(C)C(C)Oc3cc12 |(7.61,-9.78,;6.28,-9.01,;4.93,-9.81,;3.6,-9.04,;2.27,-9.81,;.93,-9.04,;-.41,-9.83,;-1.74,-9.06,;-3.07,-9.81,;-1.74,-7.52,;-.41,-6.73,;-.41,-5.21,;.93,-7.5,;2.25,-6.73,;2.25,-5.19,;3.59,-7.5,;4.92,-6.7,;4.91,-5.16,;6.26,-7.47,;7.59,-6.68,;-.4,-11.35,;-1.74,-12.12,;-3.07,-11.37,;-1.73,-13.66,;-.39,-14.43,;-.39,-15.97,;.94,-13.65,;2.27,-14.4,;2.27,-15.94,;3.58,-13.63,;4.91,-14.4,;4.91,-15.94,;6.24,-13.61,;7.58,-14.38,;6.23,-12.07,;7.54,-11.3,;4.88,-11.32,;3.58,-12.09,;2.25,-11.35,;.93,-12.12,)|
Oc1ccc(\N=N\c2nccs2)c(O)c1
Nc1cccc2c(cccc12)[As](O)(O)=O
[O-][N+](=O)\C=C\c1cc2ccccc2[nH]1
Oc1ccc(C=O)c2cccnc12
C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17|
Oc1ccc2ccccc2c1\C=N\S(=O)(=O)c1cccs1
Oc1c(ccc2ccccc12)\N=N\c1nnn[nH]1
OC1=NN=C2CCN3C(=O)c4ccccc4C3=C12 |t:1,3,18|
CC(C)C(=O)N1CCc2cc(CNC(=O)c3ccco3)ccc12
Clc1ccc(cc1)C(=O)NCc1ccc2N(CCc2c1)C(=O)c1cccc(Cl)c1
Fc1ccc(NC(=O)C2(CCC2)c2ccc3N(CCc3c2)C(=O)OC2CC2)cc1
CCN(C(C)C)C(=O)N1CCc2cc(ccc12)C1(CCC1)C(=O)Nc1ccc(Cl)cc1
Fc1ccc(NC(=O)C2(CCC2)c2ccc3N(CCc3c2)c2ccccn2)cc1
Cc1nccc(n1)N1CCc2cc(ccc12)C1(CCC1)C(=O)Nc1ccc(F)cc1
Clc1ccc(NC(=O)C2(CCC2)c2ccc3N(CCc3c2)c2ccccn2)cc1
Fc1ccc(NC(=O)C2(CCC2)c2ccc3N(CCc3n2)C(=O)OC2CC2)cc1
Clc1ccc(NC(=O)C2(CCC2)c2ccc3N(CCc3n2)C(=O)OC2CC2)cc1
Fc1ccc(NC(=O)C2(CCC2)c2ccc3N(CCc3n2)C(=O)C2CC2)cc1
Fc1ccc(NC(=O)C2(CCC2)c2ccc3N(CCc3n2)C(=O)c2cccc(Cl)c2)cc1
Fc1ccc(NC(=O)C2(CCC2)c2ccc3N(CCc3n2)c2ccccn2)cc1
Cc1nccc(n1)N1CCc2nc(ccc12)C1(CCC1)C(=O)Nc1ccc(F)cc1
Fc1ccc(NC(=O)C2(CCC2)c2ccc3N(CCc3n2)c2ccnc(n2)C(F)(F)F)cc1
Clc1ccc(NC(=O)C2(CCC2)c2ccc3N(CCc3n2)c2ccccn2)cc1
Cc1nccc(n1)N1CCc2nc(ccc12)C1(CCC1)C(=O)Nc1ccc(Cl)cc1
Clc1ccc(cc1)C(=O)NC1(CCC1)c1ccc2N(CCc2n1)C(=O)OC1CC1
COCCOC(=O)N1CCc2nc(ccc12)C1(CCC1)NC(=O)c1ccc(Cl)cc1
Cc1nccc(n1)N1CCc2nc(ccc12)C1(CCC1)NC(=O)c1ccc(Cl)cc1
FC(F)(F)c1nccc(n1)N1CCc2nc(ccc12)C1(CCC1)NC(=O)c1ccc(Cl)cc1
Clc1ccc(cc1)C(=O)NC1(CC1)c1ccc2N(CCc2n1)C(=O)OC1CC1
Fc1ccc(cc1)C(=O)NC1(CC1)c1ccc2N(CC3(CC3)c2n1)C(=O)OC1CC1
Cc1nccc(n1)N1CC2(CC2)c2nc(ccc12)C1(CC1)NC(=O)c1ccc(F)cc1
[H][C@]12C[C@@]1([H])c1cc(ccc1N2c1ccnc(C)n1)C1(CC1)NC(=O)c1ccc(F)cc1 |r|
[H][C@@]12C[C@]1([H])c1cc(ccc1N2c1ccnc(C)n1)C1(CC1)NC(=O)c1ccc(F)cc1 |r|
[H][C@]12CC[C@@]1([H])c1cc(ccc1N2C(=O)OC)C1(CC1)NC(=O)c1ccc(F)cc1 |r|
[H][C@@]12CC[C@]1([H])c1cc(ccc1N2C(=O)OC)C1(CC1)NC(=O)c1ccc(F)cc1 |r|
[H][C@]12CC[C@@]1([H])c1cc(ccc1N2c1ccnc(C)n1)C1(CC1)NC(=O)c1ccc(F)cc1 |r|
[H][C@@]12CC[C@]1([H])c1cc(ccc1N2c1ccnc(C)n1)C1(CC1)NC(=O)c1ccc(F)cc1 |r|
O\N=C(\Nc1ccccc1)c1ccc2occc2c1
O\N=C(\Nc1ccc(Cl)cc1)c1ccc2occc2c1
O\N=C(\Nc1cccc(F)c1)c1ccc2occc2c1
O\N=C(\Nc1cccc(Cl)c1)c1ccc2occc2c1
O\N=C(\Nc1cccc(Br)c1)c1ccc2occc2c1
O\N=C(\Nc1cccc(c1)C(F)(F)F)c1ccc2occc2c1
O\N=C(\Nc1ccc(F)c(F)c1)c1ccc2occc2c1
O\N=C(\Nc1ccc(F)c(Cl)c1)c1ccc2occc2c1
O\N=C(\Nc1ccc(F)c(Br)c1)c1ccc2occc2c1
O\N=C(\Nc1ccc(F)c(c1)C(F)(F)F)c1ccc2occc2c1
O\N=C(\Nc1ccc(Cl)c(F)c1)c1ccc2occc2c1
Cc1ccc(N\C(=N\O)c2ccc3occc3c2)cc1C
CC(=O)c1cccc(N\C(=N\O)c2ccc3occc3c2)c1
O\N=C(\Nc1cccc(c1)C(=O)NCC1CCCCC1)c1ccc2occc2c1
O\N=C(\Nc1cccc(c1)C(=O)NCc1ccccc1)c1ccc2occc2c1
CC1CCN(CC1)C(=O)c1cccc(N\C(=N\O)c2ccc3occc3c2)c1
CCCCOc1cccc(N\C(=N\O)c2ccc3occc3c2)c1
O\N=C(\Nc1cccc(Oc2ccccc2)c1)c1ccc2occc2c1
O\N=C(\Nc1cccc(Cc2ccccc2)c1)c1ccc2occc2c1
O\N=C(\Nc1cccc(COc2ccccc2)c1)c1ccc2occc2c1
O\N=C(\Nc1cccc(c1)-c1ccccc1)c1ccc2occc2c1
O\N=C(\NCc1ccccc1)c1ccc2occc2c1
O\N=C(\NCc1cccc(Cl)c1)c1ccc2occc2c1
O\N=C(\NCc1ccc(F)c(Cl)c1)c1ccc2occc2c1
O\N=C(\NCc1cccs1)c1ccc2occc2c1
O\N=C(\NCc1ccco1)c1ccc2occc2c1
O\N=C(\NCC1CC1)c1ccc2occc2c1
OCc1cc2cc(ccc2o1)C(\Nc1cccc(F)c1)=N/O
OCc1cc2cc(ccc2o1)C(\Nc1cccc(Cl)c1)=N/O
OCc1cc2cc(ccc2o1)C(\Nc1cccc(Br)c1)=N/O
COCc1cc2cc(ccc2o1)C(\Nc1cccc(F)c1)=N/O
COCc1cc2cc(ccc2o1)C(\Nc1cccc(Cl)c1)=N/O
COCc1cc2cc(ccc2o1)C(\Nc1cccc(Br)c1)=N/O
O\N=C(\Nc1cccc(F)c1)c1ccc2oc(COCC3CC3)cc2c1
O\N=C(\Nc1cccc(Cl)c1)c1ccc2oc(COCC3CC3)cc2c1
O\N=C(\Nc1cccc(Br)c1)c1ccc2oc(COCC3CC3)cc2c1
O\N=C(\Nc1cccc(F)c1)c1ccc2oc(cc2c1)-c1ccccc1
O\N=C(\Nc1cccc(Cl)c1)c1ccc2oc(cc2c1)-c1ccccc1
O\N=C(\Nc1cccc(Br)c1)c1ccc2oc(cc2c1)-c1ccccc1
O\N=C(\Nc1cccc(Cl)c1)c1ccc2oc3ccccc3c2c1
O\N=C(\Nc1cccc(Br)c1)c1ccc2oc3ccccc3c2c1
O\N=C(\Nc1ccc(F)c(Cl)c1)c1ccc2oc3ccccc3c2c1
O\N=C(\Nc1ccc(F)c(Br)c1)c1ccc2oc3ccccc3c2c1
COc1cc(N\C(=N\O)c2ccc3oc4ccccc4c3c2)cc(OC)c1
O\N=C(\NCc1cccc(Cl)c1)c1ccc2oc3ccccc3c2c1
[H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](CC)NC(=O)c1ccc(OC)nc1 |r,wU:4.7,18.20,wD:1.0,(34.27,-3.48,;34.68,-4.96,;33.36,-4.19,;32.03,-4.96,;32.03,-6.5,;33.36,-7.27,;34.68,-6.5,;30.7,-7.28,;29.36,-6.51,;28.03,-7.28,;28.03,-8.82,;29.37,-9.58,;29.38,-11.12,;28.06,-11.89,;30.7,-8.81,;32.03,-9.57,;33.36,-8.8,;32.04,-11.11,;36.02,-4.2,;36.03,-2.66,;37.36,-1.9,;37.35,-4.97,;37.35,-6.51,;36.01,-7.28,;38.68,-7.29,;40.01,-6.52,;41.34,-7.29,;41.34,-8.84,;42.68,-9.61,;42.68,-11.14,;40,-9.6,;38.67,-8.83,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](COC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.20,wD:1.0,(10.11,-4.67,;10.52,-6.16,;9.2,-5.38,;7.87,-6.16,;7.87,-7.7,;9.2,-8.46,;10.52,-7.7,;6.54,-8.47,;5.2,-7.7,;3.86,-8.47,;3.87,-10.02,;5.21,-10.77,;5.22,-12.31,;3.9,-13.08,;6.54,-10,;7.87,-10.77,;9.2,-10,;7.88,-12.3,;11.86,-5.39,;11.86,-3.85,;13.2,-3.09,;13.2,-1.56,;13.19,-6.16,;13.19,-7.71,;11.85,-8.48,;14.52,-8.48,;14.51,-10.02,;15.84,-10.79,;17.18,-10.03,;18.52,-10.8,;17.18,-8.48,;15.85,-7.71,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.20,wD:1.0,(66.33,-47.56,;66.74,-49.04,;65.42,-48.27,;64.08,-49.04,;64.08,-50.59,;65.42,-51.35,;66.74,-50.59,;62.75,-51.36,;61.41,-50.59,;60.08,-51.36,;60.08,-52.91,;61.43,-53.66,;61.44,-55.2,;60.12,-55.97,;62.76,-52.89,;64.09,-53.65,;65.41,-52.88,;64.09,-55.19,;68.08,-48.28,;68.08,-46.74,;69.41,-45.98,;69.41,-49.05,;69.41,-50.59,;68.07,-51.36,;70.74,-51.37,;70.73,-52.91,;72.06,-53.68,;73.4,-52.92,;74.73,-53.69,;73.4,-51.37,;72.07,-50.6,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1F)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,16.18,wD:1.0,(48.04,-48.32,;48.45,-49.8,;47.12,-49.03,;45.79,-49.8,;45.79,-51.34,;47.12,-52.11,;48.45,-51.34,;44.46,-52.12,;43.12,-51.35,;41.79,-52.12,;41.79,-53.66,;43.14,-54.42,;43.15,-55.96,;41.83,-56.73,;44.47,-53.65,;45.8,-54.41,;49.78,-49.04,;49.79,-47.5,;51.12,-46.74,;51.12,-49.81,;51.11,-51.35,;49.78,-52.12,;52.45,-52.13,;52.43,-53.67,;53.77,-54.44,;55.11,-53.68,;56.44,-54.45,;55.11,-52.13,;53.77,-51.36,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,16.18,wD:1.0,(28.06,-49.01,;28.46,-50.5,;27.14,-49.72,;25.81,-50.5,;25.81,-52.04,;27.14,-52.81,;28.46,-52.04,;24.48,-52.82,;23.14,-52.04,;21.81,-52.82,;21.81,-54.36,;23.16,-55.12,;23.17,-56.65,;21.84,-57.42,;24.48,-54.34,;25.81,-55.11,;29.8,-49.73,;29.81,-48.19,;31.14,-47.43,;31.14,-50.51,;31.13,-52.05,;29.79,-52.82,;32.46,-52.82,;32.45,-54.36,;33.78,-55.13,;35.12,-54.37,;36.46,-55.14,;35.12,-52.82,;33.79,-52.05,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc(F)c1C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,15.17,wD:1.0,(7.89,-49.37,;8.3,-50.85,;6.98,-50.08,;5.64,-50.85,;5.64,-52.39,;6.98,-53.16,;8.3,-52.39,;4.31,-53.17,;2.98,-52.39,;1.64,-53.17,;1.64,-54.71,;2.99,-55.47,;3,-57,;4.32,-54.7,;5.65,-55.46,;9.64,-50.09,;9.64,-48.55,;10.97,-50.86,;10.97,-52.4,;9.63,-53.17,;12.3,-53.18,;12.29,-54.72,;13.62,-55.49,;14.96,-54.73,;16.29,-55.49,;14.96,-53.18,;13.63,-52.41,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc(C)c1C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,15.17,wD:1.0,(67.15,-31.42,;67.56,-32.91,;66.24,-32.13,;64.9,-32.91,;64.9,-34.45,;66.24,-35.21,;67.56,-34.45,;63.57,-35.22,;62.23,-34.45,;60.9,-35.22,;60.9,-36.77,;62.25,-37.52,;62.26,-39.06,;63.58,-36.75,;64.91,-37.52,;68.9,-32.14,;68.9,-30.6,;70.23,-32.91,;70.23,-34.45,;68.89,-35.22,;71.56,-35.23,;71.55,-36.77,;72.88,-37.54,;74.22,-36.78,;75.55,-37.55,;74.22,-35.23,;72.89,-34.46,)|
[H][C@]1(CC[C@@H](CC1)c1ccncc1C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,14.16,wD:1.0,(48.54,-31.73,;48.95,-33.21,;47.63,-32.44,;46.29,-33.21,;46.29,-34.76,;47.63,-35.52,;48.95,-34.76,;44.96,-35.53,;43.62,-34.76,;42.29,-35.53,;42.29,-37.08,;43.64,-37.83,;44.97,-37.06,;46.3,-37.82,;50.29,-32.45,;50.29,-30.91,;51.62,-33.22,;51.62,-34.76,;50.28,-35.53,;52.95,-35.54,;52.94,-37.08,;54.27,-37.85,;55.61,-37.09,;56.94,-37.86,;55.61,-35.54,;54.28,-34.77,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc(C)c1)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:14.16,1.0,wD:4.7,(28.48,-32.3,;28.88,-33.79,;28.88,-35.33,;27.56,-36.1,;26.23,-35.33,;26.23,-33.79,;27.56,-33.01,;24.9,-36.11,;23.56,-35.33,;22.23,-36.11,;22.23,-37.65,;23.58,-38.41,;23.59,-39.94,;24.9,-37.64,;30.22,-33.03,;30.23,-31.48,;31.56,-33.8,;31.55,-35.34,;30.21,-36.11,;32.88,-36.12,;32.87,-37.65,;34.2,-38.42,;35.54,-37.66,;36.88,-38.43,;35.54,-36.11,;34.21,-35.34,)|
[H][C@@]1(CC[C@@H](CC1)c1cccc(n1)C(F)(F)F)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,17.19,1.0,(8.43,-31.44,;8.83,-32.93,;7.51,-32.15,;6.18,-32.93,;6.18,-34.47,;7.51,-35.23,;8.83,-34.47,;4.85,-35.25,;3.51,-34.47,;2.18,-35.24,;2.18,-36.79,;3.53,-37.55,;4.85,-36.77,;3.53,-39.08,;5.06,-39.08,;4.3,-40.4,;2.21,-39.85,;10.17,-32.16,;10.18,-30.62,;11.51,-29.86,;11.51,-32.94,;11.5,-34.48,;10.16,-35.25,;12.83,-35.25,;12.82,-36.79,;14.15,-37.56,;15.49,-36.8,;16.83,-37.57,;15.49,-35.25,;14.16,-34.48,)|
[H][C@@]1(CC[C@@H](CC1)c1cccc(C)n1)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,14.16,1.0,(66.36,-17.04,;66.76,-18.53,;65.44,-17.75,;64.11,-18.53,;64.11,-20.07,;65.44,-20.84,;66.76,-20.07,;62.78,-20.85,;61.44,-20.07,;60.11,-20.85,;60.11,-22.39,;61.46,-23.15,;61.47,-24.68,;62.79,-22.38,;68.1,-17.77,;68.11,-16.23,;69.44,-15.46,;69.44,-18.54,;69.43,-20.08,;68.09,-20.85,;70.76,-20.86,;70.75,-22.39,;72.08,-23.16,;73.42,-22.4,;74.76,-23.17,;73.42,-20.85,;72.09,-20.08,)|
[H][C@]1(CC[C@@H](CC1)c1cccnc1OC)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:15.17,1.0,wD:4.7,(47.04,-16.81,;47.45,-18.3,;47.45,-19.84,;46.12,-20.61,;44.79,-19.84,;44.79,-18.3,;46.12,-17.53,;43.46,-20.62,;42.12,-19.84,;40.79,-20.62,;40.79,-22.16,;42.14,-22.92,;43.47,-22.15,;44.8,-22.91,;44.8,-24.44,;48.78,-17.54,;48.79,-16,;50.12,-15.23,;50.12,-18.31,;50.11,-19.85,;48.78,-20.62,;51.45,-20.63,;51.43,-22.17,;52.77,-22.94,;54.11,-22.17,;55.44,-22.94,;54.11,-20.62,;52.77,-19.85,)|
[H][C@@]1(CC[C@@H](CC1)c1cncc(OC)c1)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:15.17,wD:4.7,1.0,(27.52,-17.21,;27.93,-18.7,;27.93,-20.24,;26.61,-21.01,;25.28,-20.24,;25.28,-18.7,;26.61,-17.93,;23.94,-21.02,;22.61,-20.24,;21.27,-21.02,;21.27,-22.56,;22.62,-23.32,;22.63,-24.85,;21.31,-25.63,;23.95,-22.55,;29.27,-17.94,;29.27,-16.4,;30.6,-15.63,;30.6,-18.71,;30.6,-20.25,;29.26,-21.02,;31.93,-21.03,;31.92,-22.57,;33.25,-23.34,;34.59,-22.57,;35.92,-23.34,;34.59,-21.03,;33.26,-20.25,)|
[H][C@@]1(CC[C@@H](CC1)c1nccc(OC)n1)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,15.17,1.0,(8.83,-18.03,;9.24,-19.51,;7.91,-18.74,;6.58,-19.51,;6.58,-21.05,;7.91,-21.82,;9.24,-21.05,;5.25,-21.83,;3.91,-21.06,;2.58,-21.83,;2.58,-23.37,;3.93,-24.13,;3.94,-25.66,;2.62,-26.44,;5.26,-23.36,;10.57,-18.75,;10.58,-17.21,;11.91,-16.45,;11.91,-19.52,;11.9,-21.06,;10.56,-21.83,;13.24,-21.84,;13.22,-23.38,;14.56,-24.15,;15.9,-23.39,;17.23,-24.16,;15.89,-21.84,;14.56,-21.07,)|
[H][C@@]1(CC[C@@H](CC1)c1ccc(OC(F)F)cc1)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:17.19,wD:4.7,1.0,(67.41,-4.38,;67.82,-5.87,;67.82,-7.41,;66.5,-8.18,;65.17,-7.41,;65.17,-5.87,;66.5,-5.1,;63.84,-8.19,;62.5,-7.41,;61.16,-8.19,;61.17,-9.73,;59.84,-10.5,;58.51,-9.75,;57.19,-10.52,;58.5,-8.21,;62.51,-10.49,;63.84,-9.72,;69.16,-5.11,;69.16,-3.57,;67.84,-2.8,;70.49,-5.88,;70.49,-7.42,;69.15,-8.19,;71.82,-8.2,;71.81,-9.74,;73.14,-10.51,;74.48,-9.74,;75.82,-10.51,;74.48,-8.19,;73.15,-7.42,)|
[H][C@]1(CC[C@@H](CC1)c1cccc2OC(F)(F)Oc12)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(46.02,-2.97,;46.43,-4.45,;45.11,-3.68,;43.78,-4.45,;43.78,-5.99,;45.11,-6.76,;46.43,-5.99,;42.44,-6.77,;41.11,-6,;39.77,-6.77,;39.77,-8.31,;41.12,-9.07,;41.44,-10.57,;42.97,-10.72,;44.29,-11.49,;42.97,-12.26,;43.59,-9.32,;42.45,-8.3,;47.77,-3.69,;47.77,-2.15,;49.1,-1.39,;49.1,-4.46,;49.1,-6,;47.76,-6.77,;50.43,-6.78,;50.42,-8.32,;51.75,-9.09,;53.09,-8.33,;54.42,-9.09,;53.09,-6.78,;51.76,-6.01,)|
[H][C@@]1(CC[C@@H](CC1)c1cccc(=O)n1C)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:15.17,wD:4.7,1.0,(26.68,-3.83,;27.08,-5.32,;27.08,-6.86,;25.76,-7.62,;24.43,-6.86,;24.43,-5.32,;25.76,-4.54,;23.1,-7.63,;21.76,-6.86,;20.43,-7.63,;20.43,-9.17,;21.78,-9.93,;21.79,-11.46,;23.1,-9.17,;24.43,-9.93,;28.42,-4.55,;28.43,-3.01,;27.1,-2.24,;29.75,-5.32,;29.75,-6.86,;28.41,-7.63,;31.08,-7.64,;31.07,-9.18,;32.4,-9.95,;33.74,-9.19,;35.07,-9.96,;33.74,-7.64,;32.41,-6.87,)|
Fc1ccc(cc1)C(=O)NC1(CC1)c1ccc2N(CCCc2n1)c1ccnc(n1)C(F)(F)F
Cc1nccc(n1)N2CCCc3c2ccc(n3)C4(CC4)NC(=O)c5ccc(cc5)F
C[C@H]1C[C@@]1(NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1ccnc(C)n1 |r|
[H][C@@]12C[C@]1([H])c1nc(ccc1N(C2)c1ccnc(C)n1)C1(CC1)NC(=O)c1ccc(F)cc1 |r|
Clc1cnc2nc([nH]c2c1)C1(CCC1)c1ccc2N(CCCc2n1)C(=O)OC1CC1
Clc1ccc2nc([nH]c2c1)C1(CCC1)c1ccc2N(CCCc2n1)C(=O)OC1CC1
FC(F)(F)c1cnc2nc([nH]c2c1)C1(CCC1)c1ccc2N(CCCc2n1)C(=O)c1ccccc1Cl
FC(F)(F)c1cnc2nc([nH]c2c1)C1(CCC1)c1ccc2N(CCCc2n1)C(=O)OC1CC1
CC(c1nc2ccc(Cl)cc2[nH]1)c1ccc2N(CCCc2n1)C(=O)OC1CC1
C[C@H](c1nc2ccc(Cl)cc2[nH]1)c1ccc2N(CCCc2n1)C(=O)OC1CC1 |r|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNC(=O)c5ccco5)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNC(=O)c5cccs5)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNC(=O)c5cc6ccccc6s5)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNC(=O)c5cc6ccccc6o5)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNC(=O)c5ccc6ccccc6n5)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNC(=O)c5cc6ccccc6[nH]5)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(CC(=O)NCCc2c[nH]c3c2C(=O)C2=C(C3=O)c3c(C)ccc(OC)c3CC22N(C)C(=O)N(C)C2=O)cc1 |c:20|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNC(=O)Cc5cccc(c5)C(F)(F)F)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNC(=O)c5cc(OC)c(OC)c(OC)c5)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNC(=O)c5cccc(c5)C(F)(F)F)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNC(=O)c5ccc(Cl)cc5)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNC(=O)c5ccccc5Br)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(cc1)C(=O)NCCc1c[nH]c2c1C(=O)C1=C(C2=O)c2c(C)ccc(OC)c2CC11N(C)C(=O)N(C)C1=O |c:22|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNC(=O)\C=C\c5ccccc5)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNCc5ccc6ccccc6c5)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNCc5ccc(cc5)-c5ccccc5)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNCc5cccs5)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNCc5cc6ccccc6s5)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNCCc5ccccc5)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNCc5cc(F)cc(F)c5)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNCc5ccc(C)c(C)c5)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNCc5cccc(OC)c5OC)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNCc5cc(OC)c(OC)c(OC)c5)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNCc5ccccc5)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNCC(C)(C)C)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCN(C)C)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNC(=O)c5ccc(cc5)C(C)C)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COC(=O)c1cccc(CNCCc2c[nH]c3c2C(=O)C2=C(C3=O)c3c(C)ccc(OC)c3CC22N(C)C(=O)N(C)C2=O)c1 |c:21|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNCc5ccc(cc5)C(F)(F)F)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNC(=O)OC(C)(C)C)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNC(=O)c5ccccc5)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNCc5cccc(Cl)c5)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNC(=O)c5ccc6ccccc6c5)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNC(=O)\C=C\c5cccc(c5)C(F)(F)F)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNCc5ccccc5Br)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1cc(OC)cc(\C=C\C(=O)NCCc2c[nH]c3c2C(=O)C2=C(C3=O)c3c(C)ccc(OC)c3CC22N(C)C(=O)N(C)C2=O)c1 |c:24|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNCc5ccccc5C)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNCc5ccc(cc5)C(C)(C)C)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
COc1ccc(C)c2C3=C(C(=O)c4c(CCNC(=O)c5ccccn5)c[nH]c4C3=O)C3(Cc12)N(C)C(=O)N(C)C3=O |t:8|
[H][C@]12C[C@@]1([H])c1c(C2)n(CC(=O)N2CCN(CC2)c2cccc(C)c2C)nc1C(=O)N1CCC(=O)CC1 |r|
[H][C@]12C[C@@]1([H])c1c(C2)n(CC(=O)N2CCN(CC2)c2cccc(C)c2C)nc1C(=O)N1CCC(CC1)OCCO |r|
[H][C@]12C[C@@]1([H])c1c(C2)n(CC(=O)N2CCN(CC2)c2cccc(C)c2C)nc1C(=O)N1CCC2(CO)CC1C2 |r,wD:3.4,1.0,(39.86,-6.8,;41.4,-6.81,;41.25,-5.28,;42.65,-5.91,;43.04,-4.42,;43.89,-6.81,;43.41,-8.28,;41.87,-8.27,;44.66,-9.18,;44.66,-10.72,;45.99,-11.49,;47.33,-10.72,;45.99,-13.03,;44.66,-13.81,;44.66,-15.35,;45.99,-16.11,;47.32,-15.35,;47.32,-13.81,;45.99,-17.65,;44.66,-18.42,;44.66,-19.96,;45.99,-20.73,;47.33,-19.95,;48.66,-20.71,;47.32,-18.41,;48.65,-17.64,;45.9,-8.28,;45.43,-6.81,;46.33,-5.56,;45.7,-4.16,;47.86,-5.72,;48.49,-7.14,;50.01,-7.3,;50.92,-6.06,;52.45,-6.28,;53.02,-7.7,;50.3,-4.65,;48.76,-4.48,;49.52,-5.8,)|
[H][C@]12C[C@@]1([H])c1c(C2)n(CC(=O)N2CCN(CC2)c2cccc(C)c2C)nc1C(=O)N1CC[C@@H](O)[C@H](F)C1 |r|
[H][C@]12C[C@@]1([H])c1c(C2)n(CC(=O)N2CCN(CC22CC2)c2ccc(F)c(C)c2C)nc1C(=O)N1CCC(O)C(CO)C1 |r|
CC(=O)NC1CCN(CC1)C(=O)c1nn(CC(=O)N2CCN(CC2)c2cccc(C)c2Cl)c2CC3CCCCC3c12
Clc1cccc(c1)-c1cnc[nH]1
Nc1ccccc1-c1cnc[nH]1
Nc1ccc(Cl)cc1-c1cnc[nH]1
Cn1cncc1-c1cccc(Cl)c1
Cn1cncc1-c1ccccc1O
Cn1cncc1-c1ccccc1N
Cn1cncc1-c1cc(Cl)ccc1O
Cn1cncc1-c1cc(Cl)ccc1N
Clc1cccc(c1)-n1ccnc1
Oc1ccccc1-n1ccnc1
Nc1ccccc1-n1ccnc1
Oc1ccc(Cl)cc1-n1ccnc1
Nc1ccc(Cl)cc1-n1ccnc1
Clc1cccc(c1)-c1c[nH]nn1
Oc1ccccc1-c1c[nH]nn1
Nc1ccccc1-c1c[nH]nn1
Nc1ccc(Cl)cc1-c1cnn[nH]1
Clc1cccc(c1)-c1nnc[nH]1
Oc1ccccc1-c1nnc[nH]1
Nc1ccccc1-c1nnc[nH]1
Oc1ccc(Cl)cc1-c1nnc[nH]1
Nc1ccc(Cl)cc1-c1nnc[nH]1
Clc1cccc(c1)-c1nnn[nH]1
Oc1ccccc1-c1nnn[nH]1
Nc1ccccc1-c1nnn[nH]1
Oc1ccc(Cl)cc1-c1nnn[nH]1
Nc1ccc(Cl)cc1-c1nnn[nH]1
Nc1ccc(Br)cc1-c1nc[nH]n1
c1nnc([nH]1)-c1ccccc1
CC1(CN(CC[C@@]12C(=O)NC(=O)N2)c3cc(cc4n3cnc4)C(F)(F)F)C
[H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)c(F)cc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(C)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)c(F)cc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(C)NC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(F)cc12 |r|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,18.21,(31.16,-49.31,;31.94,-50.76,;33.11,-51.77,;34.58,-51.26,;34.85,-49.74,;33.69,-48.73,;32.23,-49.24,;36.31,-49.23,;36.59,-47.71,;38.05,-47.2,;39.23,-48.21,;38.93,-49.73,;40.14,-50.67,;39.94,-52.19,;38.51,-52.78,;38.3,-54.3,;37.29,-51.83,;37.51,-50.31,;30.48,-51.26,;30.19,-52.77,;29.32,-50.25,;27.86,-50.76,;29.61,-48.74,;28.44,-47.73,;28.74,-46.23,;27.58,-45.22,;26.12,-45.72,;24.95,-44.72,;25.83,-47.25,;27,-48.25,)|
CC1(C)CN(CC[C@@]11NC(=O)NC1=O)c1cc(cc2cncn12)C(F)(F)F |r|
Clc1ccc(NC(=O)C[C@H]2CC[C@H](CC2)c2ccccc2)cc1 |r,wU:9.8,12.15,(62.65,-4.4,;61.88,-5.74,;62.65,-7.07,;61.88,-8.41,;60.34,-8.4,;59.57,-9.73,;58.03,-9.73,;57.26,-11.07,;57.26,-8.4,;55.72,-8.4,;54.95,-9.73,;53.41,-9.73,;52.64,-8.39,;53.42,-7.06,;54.95,-7.06,;51.1,-8.38,;50.34,-7.05,;48.81,-7.04,;48.03,-8.37,;48.8,-9.71,;50.34,-9.71,;59.57,-7.08,;60.33,-5.74,)|
Clc1ccc(NC(=O)C[C@H]2CC[C@H](CC2)Oc2ccnc3ccccc23)cc1 |r,wU:9.8,12.15,(81.45,-5.67,;80.68,-7,;81.45,-8.34,;80.68,-9.67,;79.14,-9.66,;78.37,-10.99,;76.83,-10.99,;76.06,-12.33,;76.06,-9.66,;74.53,-9.66,;73.76,-10.99,;72.22,-10.99,;71.45,-9.65,;72.23,-8.32,;73.76,-8.33,;69.91,-9.65,;69.14,-8.3,;67.59,-8.31,;66.81,-6.97,;67.58,-5.62,;69.14,-5.62,;69.91,-4.28,;71.45,-4.28,;72.23,-5.62,;71.45,-6.96,;69.91,-6.96,;78.37,-8.34,;79.13,-7.01,)|
CC(N1CC(COc2ccnc3ccccc23)C1)C(=O)Nc1ccc(Cl)cc1
Clc1ccc(NC(=O)N2CCC(CCc3ccnc4ccccc34)CC2)cc1
Clc1ccc(NC(=O)C2CC22CCC(CC2)Oc2ccnc3ccccc23)cc1 |(89.08,-27.35,;87.54,-27.35,;86.76,-28.69,;85.22,-28.69,;84.46,-27.35,;82.91,-27.35,;82.15,-28.69,;82.91,-30.02,;80.61,-28.69,;79.27,-29.46,;79.28,-27.92,;77.73,-27.91,;76.97,-26.58,;77.74,-25.25,;79.28,-25.24,;80.05,-26.58,;76.97,-23.91,;75.43,-23.91,;74.66,-25.24,;73.12,-25.25,;72.34,-23.91,;73.12,-22.57,;72.35,-21.25,;73.11,-19.92,;74.65,-19.91,;75.42,-21.24,;74.66,-22.57,;85.22,-26.02,;86.76,-26.01,)|
[H][C@@]12C[C@@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)Oc1ccnc2ccccc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@@H]2C(CC)NC(=O)c1ccc(Cl)cc1)Oc1ccnc2ccccc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@@H]2C(CC)NC(=O)c1ccc(Cl)cc1)Oc1ccnc2ccc(F)cc12 |r|
[H][C@@]12C[C@@H](C[C@]1([H])[C@@H]2C(CC)NC(=O)c1ccc(Cl)cc1)Oc1ccnc2ccc(F)cc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@@H]2CNC(=O)c1ccc(Cl)cc1)Oc1ccnc2ccc(F)cc12 |r|
[H][C@@]12C[C@@H](C[C@]1([H])[C@H]2CNC(=O)c1ccc(Cl)cc1)Oc1ccnc2ccc(F)cc12 |r|
[H][C@@]12C[C@@H](C[C@]1([H])[C@@H]2CNC(=O)c1ccc(Cl)cc1)Oc1ccnc2ccc(F)cc12 |r|
[H][C@@]12C[C@@H](C[C@]1([H])[C@@H]2C(CC)NC(=O)c1ccc(Cl)cc1)Oc1ccnc2cc(F)ccc12 |r|
[H][C@@]12C[C@@H](C[C@]1([H])[C@@H]2C(CC)NC(=O)c1ccc(Cl)cc1)Oc1ccnc2cccnc12 |r|
[H][C@@]12C[C@@H](C[C@]1([H])[C@@H]2C(CC)NC(=O)c1ccc(Cl)cc1)Oc1ccnc2ccncc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(C)NC(=O)c1ccc(cc1)C#N)Oc1ncnc2cc(F)ccc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)NC(=O)c1cncc(F)c1 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cccc(F)c2c1=O |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cc(nn1)C1CC1 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc(n1)C1CC1 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2ccccc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2c(F)cccc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)ccc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2ccc(F)cc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cccc(F)c12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(ccc12)C#N |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2c(F)cc(F)cc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)cc(F)c12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2ccc(F)c(F)c12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)c(F)cc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(Cl)c(Cl)cc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2ncccc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cnccc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2ccncc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cccnc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)cnc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(cnc12)C#N |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2ncc(cc12)C#N |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2CNC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)c(F)cc12 |r|
[H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](CC)NC(=O)c1ccc(Cl)cc1)n1cnc2ccc(F)cc12 |r|
[H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](CC)NC(=O)c1ccc(Cl)cc1)n1c(C)nc2ccc(F)cc12 |r|
[H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](CC)NC(=O)c1ccc(Cl)cc1)n1cnc2ccc(Cl)cc12 |r|
[H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](CC)NC(=O)c1ccc(Cl)cc1)n1cnc2ccc(cc12)C#N |r|
[H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](CC)NC(=O)c1ccc(cc1)C#N)n1cnc2ccc(Cl)cc12 |r|
[H][C@]12C[C@@H](C[C@@]1([H])[C@@]2([H])[C@@H](CC)NC(=O)c1ccc(cc1)C#N)n1cnc2ccc(cc12)C#N |r|
[H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](CC)NC(=O)c1ccc(Cl)c(F)c1)n1cnc2cc(F)c(F)cc12 |r|
[H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](CC)NC(=O)c1ccc(cc1)C#N)n1cnc2cc(F)c(F)cc12 |r|
[H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](C)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)c(F)cc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(C)(C)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)c(F)cc12 |r|
[H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](C)NC(=O)c1ccc(cc1)C#N)n1cnc2cc(F)c(F)cc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)c1nc2cc(Cl)ccc2[nH]1)c1ccnc2ccc(F)cc12 |r|
[H][C@]12C[C@@H](C[C@@]1([H])[C@@]2([H])[C@H](CC)NC(=O)c1ccc(Cl)cc1)n1cnc2ccc(F)cc12 |r|
CCCNC(=O)Nc1cc(ccc1N(CC(C)C)CC(C)C)C(\Nc1ccc(F)c(Br)c1)=N\O
CCCCNC(=O)Nc1cc(ccc1N(CC(C)C)CC(C)C)C(\Nc1ccc(F)c(Br)c1)=N\O
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)NC1CCCCC1)C(\Nc1ccc(F)c(Br)c1)=N\O
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(Cl)cc1)C(\Nc1ccc(F)c(Br)c1)=N\O
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(cc1)C(F)(F)F)C(\Nc1ccc(F)c(Br)c1)=N\O
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cncnc1)C(\Nc1ccc(F)c(Br)c1)=N\O
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)C(\Nc1ccc(F)c(Br)c1)=N\O
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)C(\Nc1ccc(C)cc1)=N\O
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cncnc1)C(\Nc1ccc(C)cc1)=N\O
CCCNC(=O)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Cl)c1)c1ccc(Cl)nc1
O\N=C(/Nc1ccc(F)c(Cl)c1)c1ccc(Cl)cn1
O\N=C(/Nc1ccc(F)c(Br)c1)c1ccc(Cl)nc1
O\N=C(/Nc1cccc(Br)c1)c1ccc(Cl)nc1
O\N=C(/Nc1ccc(F)c(Cl)c1)c1cnc(Cl)s1
O\N=C(/Nc1ccc(F)c(Cl)c1)c1ccc(Cl)s1
O\N=C(/Nc1cccc(Br)c1)c1ccc(Cl)s1
Cc1ccc(s1)C(\Nc1cccc(Br)c1)=N\O
O\N=C(/Nc1cccc(Br)c1)c1ccc(CNC(=O)Nc2ccc(Cl)cc2)s1
O\N=C(/Nc1cccc(Br)c1)c1ccc(CNC(=O)Nc2cccc(Cl)c2)s1
O\N=C(/Nc1cccc(Br)c1)c1ccc(CNC(=O)Nc2cccc(c2)C#N)s1
O\N=C(/Nc1cccc(Br)c1)c1ccc(CNC(=O)Nc2cccc(F)c2)s1
Cc1cccc(NC(=O)NCc2ccc(s2)C(\Nc2cccc(Br)c2)=N\O)c1
O\N=C(/Nc1cccc(Br)c1)c1ccc(CNC(=O)Nc2ccccc2F)s1
Cc1ccccc1NC(=O)NCc1ccc(s1)C(\Nc1cccc(Br)c1)=N\O
O\N=C(/Nc1cccc(Br)c1)c1ccc(CNC(=O)Nc2ccc(F)cc2)s1
O\N=C(/Nc1cccc(Br)c1)c1ccc(CNC(=O)Nc2ccc(cc2)C#N)s1
O\N=C(/Nc1cccc(Br)c1)c1ccc(CNC(=O)Nc2ccc(cc2)C(F)(F)F)s1
O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2ccc(cc2)C#N)cs1
O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2ccc(cc2)C(F)(F)F)cs1
O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2cccc(c2)C#N)cs1
O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2cccc(F)c2)cs1
O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2cccc(Cl)c2)cs1
O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2cccc(c2)C(F)(F)F)cs1
O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2ccc(F)cc2)cs1
O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2ccc(Cl)cc2)cs1
OCc1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
CCCCc1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
CC(C)(C)c1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
OCCc1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
OCCCc1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
OCCCCc1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
CC(O)c1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
CCC(O)c1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
CC(C)(O)c1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
CCC(C)(O)c1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
CC(C)CC(C)(O)c1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCn1cc(nn1)C1(O)CCCCC1
OCCOCc1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
CC(OCCO)c1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
CC(C)(OCCO)c1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
CCOc1cc(CNC(=O)c2ncoc2-c2ccc(OC)cc2)cc(OCC)c1OCC
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCn1cc(nn1)-c1cccc(O)c1
C[C@@]1(CC[C@H](O)CC1)[C@H](O)C[C@H]1c2c(cccc2F)-c2cncn12 |r,wU:1.0,4.4,wD:11.11,8.9,(10.47,-8.26,;10.88,-6.78,;12.02,-7.82,;13.48,-7.35,;13.81,-5.84,;15.27,-5.37,;12.66,-4.81,;11.19,-5.28,;9.41,-7.26,;9.09,-8.76,;8.27,-6.23,;6.8,-6.7,;5.55,-5.8,;4.31,-6.7,;2.91,-6.09,;2.75,-4.57,;3.99,-3.66,;5.39,-4.28,;6.64,-3.37,;4.78,-8.17,;4.31,-9.63,;5.55,-10.54,;6.8,-9.63,;6.32,-8.17,)|
[O-][N+](=O)c1ccccc1CNc1cc(Br)cc2[nH]ncc12
[O-][N+](=O)c1ccccc1CNc1cc(cc2[nH]ncc12)C(F)(F)F
CC(C)n1ncc2c(NCc3ccccc3[N+]([O-])=O)cc(cc12)C(F)(F)F
NCCn1ncc2c(NCc3ccccc3[N+]([O-])=O)cc(cc12)C(F)(F)F
[O-][N+](=O)c1ccccc1CNc1cc(cc2[nH]ncc12)C#N
COC(=O)c1cc(NCc2ccccc2[N+]([O-])=O)c2cn[nH]c2c1
[O-][N+](=O)c1ccccc1CNc1cc(Br)cc2cn[nH]c12
[O-][N+](=O)c1ccccc1CNc1cccc2C(=O)NCc12
[O-][N+](=O)c1ccccc1CNc1cccc2C(=O)NC(=O)c12
Oc1ccc(CNc2cc(cc3[nH]ncc23)C(F)(F)F)cc1
FC(F)(F)c1cc(NCc2cccc(Br)c2)c2cn[nH]c2c1
FC(F)(F)c1cccc(CNc2cc(cc3[nH]ncc23)C(F)(F)F)c1
OC(=O)c1cccc(CNc2cc(cc3[nH]ncc23)C(F)(F)F)c1
CNC(=O)c1cccc(CNc2cc(cc3[nH]ncc23)C(F)(F)F)c1
Nc1cccc(CNc2cc(cc3[nH]ncc23)C(F)(F)F)c1
OC(=O)CNc1cccc(CNc2cc(cc3[nH]ncc23)C(F)(F)F)c1
FC(F)(F)c1cc(NCc2cccc3sccc23)c2cn[nH]c2c1
[O-][N+](=O)c1ccc2[nH]c(CNc3cc(cc4[nH]ncc34)C(F)(F)F)cc2c1
OC1CCCC(C1)Nc1cccc(CNc2cc(cc3[nH]ncc23)C(F)(F)F)c1
Oc1ccc(CNc2cc(cc3[nH]ncc23)C(F)(F)F)c(Cl)c1
FC(F)(F)c1cc(NC[C@H]2CCCN2)c2cn[nH]c2c1 |r|
FC(F)(F)c1cc(NC[C@H]2CCCCN2)c2cn[nH]c2c1 |r|
FC(F)(F)c1cc(NC[C@@H]2CCCCN2)c2cn[nH]c2c1 |r|
FC(F)(F)c1cc(NCC2CNC2)c2cn[nH]c2c1
[O-][N+](=O)c1cccc(CNc2cc(cc3[nH]ncc23)C(F)(F)F)c1
[O-][N+](=O)c1ccc(CNc2cc(cc3[nH]ncc23)C(F)(F)F)cc1
Cc1ccc(CNc2cc(cc3[nH]ncc23)C(F)(F)F)c(c1)[N+](O)=O
CS(=O)(=O)c1ccc(CNc2cc(cc3[nH]ncc23)C(F)(F)F)c(c1)[N+](O)=O
O[N+](=O)c1c(Cl)cccc1CNc1cc(cc2[nH]ncc12)C(F)(F)F
[O-][N+](=O)c1ccc(Cl)cc1CNc1cc(cc2[nH]ncc12)C(F)(F)F
[O-][N+](=O)c1cc(Cl)ccc1CNc1cc(cc2[nH]ncc12)C(F)(F)F
[O-][N+](=O)c1cc(Br)c(F)cc1CNc1cc(cc2[nH]ncc12)C(F)(F)F
[O-][N+](=O)c1cc(OCc2ccccc2)ccc1CNc1cc(cc2[nH]ncc12)C(F)(F)F
[O-][N+](=O)c1cccc(CNc2cc(Br)cc3[nH]ncc23)c1
[O-][N+](=O)c1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1
Oc1ccc(c(CNc2cc(Br)cc3[nH]ncc23)c1)[N+]([O-])=O
COc1cc(CNc2cc(Br)cc3[nH]ncc23)c(cc1OC)[N+]([O-])=O
C[C@H](C1CCC(CC1)c1ccnc2ccc(F)cc12)C(=O)Nc1ccc(Cl)cc1 |r,wD:1.0,(-6.99,-1.78,;-6.99,-.24,;-8.32,.53,;-9.66,-.24,;-10.99,.53,;-10.99,2.07,;-9.66,2.84,;-8.32,2.07,;-12.35,2.8,;-12.35,4.34,;-13.68,5.11,;-15.02,4.34,;-15.02,2.8,;-16.35,2.03,;-16.35,.49,;-15.02,-.28,;-15.01,-1.82,;-13.68,.49,;-13.68,2.03,;-5.66,.53,;-5.66,2.07,;-4.32,-.24,;-2.99,.53,;-2.99,2.07,;-1.66,2.84,;-.32,2.07,;1.05,2.8,;-.32,.53,;-1.66,-.24,)|
NC(=O)Nc1ccc(cc1)-c1c[nH]c2cc(F)ccc12
O[C@@H](C1CCCCC1)c1cc(Cl)cc2cncn12 |r|
CC(C(=O)c1ccc(O)cc1)C1(O)C(=O)Nc2c1cc(Cl)cc2Cl
CS(=O)(NC#N)=NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
COC1CN(CCNc2nc3c(F)c(F)cc(\C(Nc4cccc(Br)c4)=N\O)c3[nH]2)C1
[H][C@@]1(CC[C@@]([H])(CC1)c1ccnc2ccc(F)cc12)NC(=O)Nc1ccc(Cl)cc1 |r,wU:1.0,wD:4.4,(.01,2.31,;-1.33,1.54,;-2.66,.77,;-2.66,-.77,;-1.33,-1.54,;.01,-2.31,;.01,-.77,;.01,.77,;-1.33,-3.08,;0,-3.84,;0,-5.38,;-1.32,-6.15,;-2.66,-5.39,;-4,-6.16,;-5.34,-5.39,;-5.34,-3.85,;-6.67,-3.08,;-4.01,-3.07,;-2.66,-3.85,;-1.33,3.08,;.01,3.85,;.01,5.39,;1.34,3.08,;2.67,3.85,;2.67,5.39,;4.01,6.16,;5.34,5.39,;6.67,6.16,;5.34,3.86,;4.01,3.08,)|
[H][C@@]1(CC[C@]([H])(CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1 |r,wU:19.22,wD:4.4,1.0,(-4,1.16,;-2.67,.39,;-1.33,-.38,;-1.33,-1.92,;-2.67,-2.69,;-4,-3.46,;-4,-1.92,;-4,-.38,;-2.67,-4.23,;-4,-5,;-4,-6.54,;-2.67,-7.31,;-1.33,-6.55,;0,-7.32,;1.34,-6.54,;1.34,-5,;2.68,-4.23,;.01,-4.22,;-1.33,-5,;-2.67,1.93,;-4,2.7,;-1.33,2.7,;-1.33,4.24,;-2.87,4.24,;-2.1,5.57,;-0,5.01,;0,6.55,;1.33,7.32,;2.66,6.55,;2.67,5.01,;4,4.24,;1.34,4.24,)|
CC(N1CCC(CC1)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(Cl)cc1
[H][C@@]1(CC[C@@]([H])(CC1)C(CC)C(=O)Nc1ccc(Cl)cc1)Oc1ccnc2ccccc12 |r,wU:4.4,wD:1.0,(-.77,-5.53,;-.38,-4.04,;-1.91,-4.06,;-2.7,-2.74,;-1.95,-1.39,;-3.49,-1.39,;-.41,-1.37,;.38,-2.7,;-2.73,-.07,;-4.27,-.09,;-5.03,-1.43,;-1.98,1.27,;-2.77,2.6,;-.44,1.29,;.31,2.64,;1.85,2.66,;2.6,4,;1.81,5.32,;2.57,6.66,;.28,5.3,;-.48,3.97,;.41,-5.36,;1.95,-5.35,;2.74,-6.66,;4.28,-6.64,;5.03,-5.31,;4.25,-3.98,;5,-2.64,;4.21,-1.31,;2.68,-1.32,;1.91,-2.67,;2.7,-4,)|
CC(C1CCC(CC1)c1ccnc(c1)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1 |(0,5,;0,3.46,;-1.33,2.69,;-2.66,3.46,;-4,2.69,;-4,1.15,;-2.66,.38,;-1.33,1.15,;-5.33,.38,;-6.67,1.16,;-8,.38,;-8,-1.15,;-6.66,-1.92,;-5.33,-1.16,;-6.66,-3.46,;-5.33,-4.23,;-8,-4.23,;-6.66,-5,;1.34,2.69,;1.34,1.15,;2.67,3.46,;4,2.69,;5.34,3.46,;6.67,2.69,;6.67,1.15,;8,.38,;5.34,.39,;4,1.15,)|
[H][C@@]1(CC[C@@]([H])(CC1)C(C)C(=O)Nc1ccc(Cl)cc1)Oc1ccnc(c1)C(F)(F)F |r,wU:4.4,wD:1.0,(-4.64,.03,;-4.64,1.57,;-4.64,3.11,;-3.3,3.88,;-2.01,3.11,;-2.01,4.65,;-1.97,1.57,;-3.3,.8,;-.63,3.88,;-.63,5.42,;.7,3.11,;.7,1.57,;2.03,3.88,;3.37,3.11,;4.7,3.88,;6.03,3.12,;6.03,1.57,;7.36,.8,;4.7,.81,;3.37,1.57,;-5.97,.8,;-5.97,-.74,;-7.33,-1.47,;-7.36,-3.01,;-6.06,-3.81,;-4.7,-3.08,;-4.66,-1.54,;-3.39,-3.89,;-2.04,-3.15,;-3.43,-5.42,;-2.08,-4.69,)|
O=S(=O)(Nc1cccc2cnccc12)c1ccc2OCCOc2c1
CC(C)Oc1ccc(cc1)S(=O)(=O)NC1CCCc2cnccc12
OC(CC1c2cc(F)ncc2-c2cncn12)C1CCCCC1
O[C@@H](C[C@H]1c2sccc2-c2cncn12)C1CCC(F)(F)CC1 |r|
O=C(CC1c2ccccc2-c2cncn12)C1CCCCC1
OC1CCC(CC1)C(F)(F)CC1c2c(cccc2F)-c2cncn12 |(6.17,1.07,;4.68,.68,;3.59,1.76,;2.11,1.37,;1.71,-.12,;2.8,-1.21,;4.28,-.81,;.22,-.52,;-.55,-1.85,;.62,-2.01,;-.87,.57,;-2.36,.17,;-3.5,1.2,;-4.84,.43,;-6.17,1.19,;-6.17,2.73,;-4.85,3.51,;-3.51,2.75,;-2.17,3.52,;-4.51,-1.08,;-5.14,-2.49,;-3.99,-3.52,;-2.66,-2.74,;-2.98,-1.24,)|
Cn1cc(cn1)-c1cc(F)c(NC(=O)NCC2c3ccccc3-c3cncn23)cc1F
O=C(NCC1c2ccccc2-c2cncn12)Nc1ccc(cc1)C#N
O[C@@H](C[C@H]1c2ccccc2-c2cncn12)c1cc2ccoc2cc1F |r|
C[C@@]12CCCCC1=C(O)C(=O)c1cc3C(=O)C4=C(NCCS4(=O)=O)C(=O)c3cc21 |r,t:7,17|
O\N=C(/Nc1cccc(Br)c1)c1nonc1NCCNCCOCCOCCOCCOCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
[H][C@@]1(CC[C@]([H])(CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1ccc(cc1)C#N |r,wU:19.22,4.4,1.0,(-.66,1.93,;-1.99,1.16,;-3.33,.39,;-3.33,-1.15,;-1.99,-1.92,;-.66,-2.69,;-.66,-1.15,;-.66,.39,;-1.99,-3.46,;-.67,-4.23,;-.67,-5.77,;-1.99,-6.54,;-3.33,-5.78,;-4.66,-6.55,;-6,-5.77,;-6.01,-4.23,;-7.34,-3.46,;-4.67,-3.45,;-3.33,-4.23,;-1.99,2.7,;-3.33,3.47,;-.66,3.47,;-.66,5.01,;.67,2.7,;2.01,3.47,;2.01,5.01,;3.34,5.78,;4.67,5.01,;4.68,3.47,;3.35,2.7,;6.01,5.78,;7.34,6.55,)|
FC(F)(F)S(=O)(=O)NCCCOc1ccccc1-c1c[nH]cn1
C[C@@H]1CCC=C(C)[C@@]1(C)C[C@]1(C)[C@@H](O)CC[C@]2(C)[C@@]3(C)CC[C@@]4(C)[C@@H](Cc5c4c(ccc5O)C(O)C(O)=O)[C@]3(C)CC[C@@]12C |r,t:4|
Clc1cccc(c1)-c1nccc2c3ccccc3[nH]c12
Clc1ccc(cc1)-c1nccc2c3ccccc3[nH]c12
Clc1cc(Cl)cc(c1)-c1nccc2c3ccccc3[nH]c12
Brc1cccc(c1)-c1nccc2c3ccccc3[nH]c12
Brc1ccc(cc1)-c1nccc2c3ccccc3[nH]c12
Fc1cc(ccc1Br)-c1nccc2c3ccccc3[nH]c12
[O-][N+](=O)c1cccc(c1)-c1nccc2c3ccccc3[nH]c12
[O-][N+](=O)c1ccc(cc1)-c1nccc2c3ccccc3[nH]c12
N#Cc1cccc(c1)-c1nccc2c3ccccc3[nH]c12
N#Cc1ccc(cc1)-c1nccc2c3ccccc3[nH]c12
c1csc(c1)-c1nccc2c3ccccc3[nH]c12
c1nc(c[nH]1)-c1nccc2c3ccccc3[nH]c12
c1nn[nH]c1-c1nccc2c3ccccc3[nH]c12
c1[nH]c2ccccc2c1-c1ccc2nonc2c1
c1[nH]c2ccccc2c1-c1ccc2nsnc2c1
c1[nH]c2ccccc2c1-c1cnc2nsnc2c1
c1[nH]c2ccccc2c1-c1ccc2n[se]nc2c1
c1[nH]c2ccccc2c1-c1cnc2n[se]nc2c1
Cc1cn(C2CC(C(CO)O2)n2cc(COCCOCCOCCN3C(=O)\C(=C4/Nc5ccccc5C4=O)c4ccccc34)nn2)c(=O)[nH]c1=O
O=C1N(CCOCCOCCOCc2cn(nn2)-c2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)c2ccccc2\C1=C1\Nc2ccccc2C1=O
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1ccc(OC2CCN(CC2)C(=O)CCOCCOCCNc2cccc3C(=O)N(C4CCC(=O)N(C)C4=O)C(=O)c23)cc1 |r,wU:4.4,18.21,wD:1.0,(13.83,-3.51,;13.83,-1.98,;15.16,-2.75,;16.44,-1.98,;16.44,-.44,;15.16,.33,;13.83,-.44,;17.78,.33,;19.11,-.44,;20.45,.33,;20.45,1.87,;19.11,2.64,;19.11,4.18,;17.78,4.95,;16.44,4.18,;15.16,4.95,;16.44,2.64,;17.78,1.87,;12.49,-2.75,;12.49,-4.28,;11.16,-1.98,;11.16,-.44,;9.83,-2.75,;8.49,-1.98,;7.16,-2.75,;5.82,-1.98,;5.82,-.44,;4.49,.33,;3.16,-.44,;3.16,-1.98,;1.82,-2.75,;.49,-1.98,;.49,-.44,;1.82,.33,;-.85,-2.75,;-.85,-4.28,;-2.18,-1.98,;-3.51,-2.75,;-4.85,-1.98,;-6.18,-2.75,;-7.52,-1.98,;-8.85,-2.75,;-10.18,-1.98,;-11.52,-2.75,;-12.85,-1.98,;-14.19,-2.75,;-14.19,-4.28,;-15.52,-5.05,;-16.85,-4.28,;-16.85,-2.75,;-17.98,-1.72,;-19.52,-2.03,;-17.37,-.28,;-18.14,1.05,;-19.68,1.05,;-20.45,2.39,;-19.68,3.72,;-20.45,5.05,;-18.14,3.72,;-17.37,5.05,;-17.37,2.39,;-15.83,2.39,;-15.83,-.44,;-14.8,.69,;-15.52,-1.98,;7.16,.33,;8.49,-.44,)|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1ccc(OC2CCN(CC2)C(=O)CCOCCOCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1 |r,wU:4.4,18.21,wD:1.0,(13.83,-3.51,;13.83,-1.98,;15.16,-2.75,;16.44,-1.98,;16.44,-.44,;15.16,.33,;13.83,-.44,;17.78,.33,;19.11,-.44,;20.45,.33,;20.45,1.87,;19.11,2.64,;19.11,4.18,;17.78,4.95,;16.44,4.18,;15.16,4.95,;16.44,2.64,;17.78,1.87,;12.49,-2.75,;12.49,-4.28,;11.16,-1.98,;11.16,-.44,;9.83,-2.75,;8.49,-1.98,;7.16,-2.75,;5.82,-1.98,;5.82,-.44,;4.49,.33,;3.16,-.44,;3.16,-1.98,;1.82,-2.75,;.49,-1.98,;.49,-.44,;1.82,.33,;-.85,-2.75,;-.85,-4.28,;-2.18,-1.98,;-3.51,-2.75,;-4.85,-1.98,;-6.18,-2.75,;-7.52,-1.98,;-8.85,-2.75,;-10.18,-1.98,;-11.52,-2.75,;-12.85,-1.98,;-14.19,-2.75,;-14.19,-4.28,;-15.52,-5.05,;-16.85,-4.28,;-16.85,-2.75,;-17.98,-1.72,;-19.52,-2.03,;-17.37,-.28,;-18.14,1.05,;-19.68,1.05,;-20.45,2.39,;-19.68,3.72,;-20.45,5.05,;-18.14,3.72,;-17.37,2.39,;-15.83,2.39,;-15.83,-.44,;-14.8,.69,;-15.52,-1.98,;7.16,.33,;8.49,-.44,)|
CCCNC(=O)C1(CCC1)c1ccc(cc1)-c1ccccn1
CCCNC(=O)C1(CCC1)c1ccc(cc1)-c1cccnc1
CCCNC(=O)C1(CCC1)c1ccc(cc1)-c1ccncc1
CCCNC(=O)C1(CCC1)c1ccc(cc1)-c1ccc(C)nc1
CCCNC(=O)C1(CCC1)c1ccc(cc1)-c1ccc(nc1)C1CC1
Fc1ccc(NC(=O)C2(COC2)c2ccc(cc2)-c2ccc(nc2)C2CC2)cc1
Fc1ccc(NC(=O)C2(COC2)c2ccc(cc2)-n2cnc(cc2=O)C2CC2)cc1
Fc1ccc(NC(=O)C2(COC2)c2ccc(cc2)-c2nc(no2)C2CC2)cc1
Cc1cc(ncc1-c1ccc(cc1)C1(COC1)C(=O)Nc1ccc(F)cc1)C1CC1
Cc1cc(ncc1-c1ccc(cc1)C1(COC1)C(=O)Nc1ccc(F)cc1)C(F)(F)F
OCc1cc(ncc1-c1ccc(cc1)C1(COC1)C(=O)Nc1ccc(F)cc1)C(F)(F)F
OCc1cc(ncc1-c1ccc(cc1)C1(CCC1)C(=O)Nc1ccc(F)cc1)C(F)(F)F
OCc1cc(ncc1-c1ccc(cc1)C1(CC(F)(F)C1)C(=O)Nc1ccc(F)cc1)C(F)(F)F
CC(C)(O)c1cc(ncc1-c1ccc(cc1)C1(COC1)C(=O)Nc1ccc(F)cc1)C(F)(F)F
C[C@H]1COC2=C1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc21 |c:4|
Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21
Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](O)C2(C)C
CC1(C)[C@@H](O)CCc2c1ccc1-c3occ(CO)c3C(=O)C(=O)c21 |r|
C[C@@H](CO)C1=C(O)C(=O)c2c3CCCC(C)(C)c3ccc2C1=O |c:4|
C[C@@H](C=O)C1=C(O)C(=O)c2c3CCCC(C)(C)c3ccc2C1=O |r,c:4|
Cc1c[nH]c-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21
CC(=O)Oc1c(OC(C)=O)c2c3CCCC(C)(C)c3ccc2c2occ(C)c12
CC1(C)CCCc2c1ccc1-c3occ(CO)c3C(=O)C(=O)c21
Cc1coc2c1c(=O)oc(=O)c1c3CCCC(C)(C)c3ccc21
Cc1c(Br)oc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21
Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c1C(Br)CCC2(C)C
Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c1C=CCC2(C)C |c:19|
Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c1C(=O)C(O)CC2(C)C
Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c1C(=O)C(O)=CC2(C)C |c:22|
Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c1C=CC(=O)C2(C)C |c:19|
CC1(C)C(=O)C=Cc2c1ccc1-c3occ(C=O)c3C(=O)C(=O)c21 |c:5|
CC1(C)C(=O)C=Cc2c1ccc1-c3occ(C(O)=O)c3C(=O)C(=O)c21 |c:5|
COC(=O)c1coc-2c1C(=O)C(=O)c1c-2ccc2c1C=CC(=O)C2(C)C |c:22|
CCN(CC)C(=O)c1coc-2c1C(=O)C(=O)c1c-2ccc2c1C=CC(=O)C2(C)C |c:25|
CC1(C)C(=O)C=Cc2c1ccc1-c3occ(CF)c3C(=O)C(=O)c21 |c:5|
CC1(C)C(=O)C=Cc2c1ccc1-c3occ(CCl)c3C(=O)C(=O)c21 |c:5|
CC(=O)OCc1coc-2c1C(=O)C(=O)c1c-2ccc2c1C=CC(=O)C2(C)C |c:23|
CC(=O)OCc1coc-2c1C(=O)C(=O)c1c3CC[C@H](O)C(C)(C)c3ccc-21 |r|
CC(=O)OCc1coc-2c1C(=O)C(=O)c1c3CCC(=O)C(C)(C)c3ccc-21
CC1(C)C(=O)CCc2c1ccc1-c3occ(CO)c3C(=O)C(=O)c21
CC(=O)O[C@H]1CCc2c(ccc3-c4occ(C)c4C(=O)C(=O)c23)C1(C)C |r|
CC(=O)O[C@H]1CCc2c(ccc3-c4occ(CO)c4C(=O)C(=O)c23)C1(C)C |r|
Cc1coc-2c1C(=O)C(=O)c1c3CC[C@H](OS(C)(=O)=O)C(C)(C)c3ccc-21 |r|
Cc1coc-2c1C(=O)C(=O)c1c3CCC(=O)C(C)(C)c3ccc-21
CC1(C)CN(CCN1S(C)(=O)=O)c1cc(Br)cc2[nH]ncc12
c1c(cc2c(c1N)cn[nH]2)Br
c1cc(ccc1CNc2cc(cc3c2cn[nH]3)Br)O
OCC(Nc1cc(Br)cc2[nH]ncc12)c1ccccc1
OCC(Nc1cc(Br)cc2[nH]ncc12)c1cccc(Cl)c1
OC(CNc1cc(Br)cc2[nH]ncc12)c1cccc(Cl)c1
Oc1ccc(cc1)C(=O)CNc1cc(Br)cc2[nH]ncc12
O\N=C(/CNc1cc(Br)cc2[nH]ncc12)c1ccc(O)cc1
OCC(Nc1cc(Br)cc2[nH]ncc12)C1CCCCC1
OC(CNc1cc(Br)cc2[nH]ncc12)C1CCCCC1
Brc1cc(NC[C@@H]2CCCN2)c2cn[nH]c2c1 |r|
Brc1cc(NC[C@H]2CCCN2)c2cn[nH]c2c1 |r|
Brc1cc(NC[C@@H]2CCCCN2)c2cn[nH]c2c1 |r|
Brc1cc(NC[C@H]2CCCCN2)c2cn[nH]c2c1 |r|
Brc1cc(NCC2CCNC2)c2cn[nH]c2c1
Brc1cc(NCC2CNC2)c2cn[nH]c2c1
CC(C)(C)OC(=O)N1CCC(CNc2cc(Br)cc3[nH]ncc23)C1
Brc1cc(NCc2ccccn2)c2cn[nH]c2c1
Brc1cc(NCC2CCCCC2)c2cn[nH]c2c1
ON=C1CCC(CNc2cc(Br)cc3[nH]ncc23)CC1 |(6.16,-2.13,;5.39,-.8,;3.85,-.8,;3.09,-2.14,;1.55,-2.14,;.78,-.8,;-.76,-.8,;-1.53,.54,;-3.07,.54,;-3.85,1.87,;-5.39,1.87,;-6.16,3.2,;-6.16,.53,;-5.39,-.81,;-5.85,-2.28,;-4.6,-3.2,;-3.38,-2.32,;-3.85,-.81,;1.55,.53,;3.08,.53,)|
OC1CCCCC1CNc1cc(Br)cc2[nH]ncc12
Brc1cc(NCC2CCCCC22OCCO2)c2cn[nH]c2c1
c1c(cc(c2c1[nH]nc2)NC[C@H]3CCCC[C@@H]3O)Br
c1c(cc(c2c1[nH]nc2)NC[C@@H]3CCCC[C@H]3O)Br
O[C@H]1CCCC[C@@H]1NCc1cc(Br)cc2[nH]ncc12 |r|
O[C@@H]1CCCC[C@H]1NCc1cc(Br)cc2[nH]ncc12 |r|
O[C@@H]1CCCC[C@H]1NC(=O)c1cc(Br)cc2[nH]ncc12 |r|
Cn1ncc2c(NC[C@@H]3CCCC[C@H]3O)cc(Br)cc12 |r|
O[C@@H]1CCCC[C@H]1CNc1cc(Br)cc2cn[nH]c12 |r|
O[C@@H]1CCCC[C@H]1CNc1cc(Cl)cc2cn[nH]c12 |r|
O[C@@H]1CCCC[C@H]1CNc1cc(Cl)cc2[nH]ncc12 |r|
Cc1cc(NC[C@@H]2CCCC[C@H]2O)c2cn[nH]c2c1 |r|
O[C@@H]1CCCC[C@H]1CNc1cc(cc2[nH]ncc12)C(F)(F)F |r|
COC(=O)c1cc(NC[C@@H]2CCCC[C@H]2O)c2cn[nH]c2c1 |r|
O[C@@H]1CCCC[C@H]1CNc1cc(cc2[nH]ncc12)C(O)=O |r|
Nc1cc(NC[C@@H]2CCCC[C@H]2O)c2cn[nH]c2c1 |r|
c1cc(c(c2c1[nH]nc2)NC[C@@H]3CCCC[C@H]3O)Br
O[C@@H]1CCCC[C@H]1CNc1c(Br)cc(Br)c2[nH]ncc12 |r|
CC(=O)O[C@@H]1CCCC[C@H]1CNc1cc(Br)cc2[nH]ncc12 |r|
N[C@@H]1CCCC[C@H]1CNc1cc(Br)cc2[nH]ncc12 |r|
N[C@H]1CCCC[C@H]1CNc1cc(Br)cc2[nH]ncc12 |r|
c1c(cc(c2c1[nH]nc2)NC[C@@H]3CCCC[C@@H]3Cl)Br
Cl[C@@H]1CCCC[C@@H]1CNc1cc(Br)cc2[nH]ncc12 |r|
NC(CC(O)=O)Cc1c[nH]c2ccc(cc12)N(CCCl)CCCl
NC(CC(O)=O)Cc1c[nH]c2cc(ccc12)N(CCCl)CCCl
O[C@H](C1CCCCC1)c1cn2cncc2cc1Cl |r|
Cn1cc(-c2ccc(NC(N)=O)cc2)c2ccc(F)cc12
CC1=C(CC(=O)c2sccc2Br)C(=O)c2ccccc2C1=O |c:1|
COc1ccccc1C(=O)CC(=O)c1ccc(C)cc1O
CC(C)Oc1ccccc1C(=O)CC(=O)c1ccc(C)cc1O
O=C(\C=C\c1ccccc1-c1c[nH]cn1)N1CCC=CC1=O |c:20|
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCNC(=O)c1cccc(c1)N(CCCl)CCCl
CC(C)C1=Cc2ccc(C)c(CCC(N)=O)c2C(=O)C1=O |t:3|
CC(C)C1=Cc2ccc(C)c(CCC(=O)NCCCCCC(=O)CNc3ccccc3N)c2C(=O)C1=O |t:3|
[#6]-[#6](-[#6])-[#6]-1=[#6]-c2ccc(-[#6])c(-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])c2-[#6](=O)-[#6]-1=O |t:3|
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCn1cc(CNC(=O)c2ccccn2)nn1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCn1cc(CNC(=O)c2ccc[nH]2)nn1
O\N=C(/Nc1cccc(Br)c1)c1nonc1NCCn1cc(CNC(=O)c2ccccn2)nn1
O\N=C(/NCc1cccc(Br)c1)c1nonc1NCCn1cc(CNC(=O)c2ccccn2)nn1
COc1ccc2[nH]c(nc2n1)S(=O)Cc1ncc(C)c(OC)c1C
NOC(c1ccccc1)c1ccccc1Cl
[H][C@]12N(c3ccccc3[C@]1([C@H](O)[C@@]1(SC)N2C(=O)[C@](C)(SC)N(C)C1=O)c1c[nH]c2ccccc12)c1ccc2oc3cc(=O)c(N)c(C(O)=O)c3nc2c1C(O)=O |r|
[H][C@@]12CC(=O)C[C@@]11C(OC)=CC(=O)c3c(O)c4C[C@@H](O)[C@@](C)(O)Cc4c(O[C@]22C[C@H](O)[C@H](O)CO2)c13 |r,c:10|
CCc1c(O)c2C(=O)C[C@@H](OC)[C@H](O)c2cc1OC |r|
COC(=O)[C@H]1CCCN1C[C@@H](O)c1c(OC)cc2C(=O)c3cc(C)c(O)cc3C(=O)c2c1O |r|
C[C@@]12CC[C@H](O)CC1=C(O)C(=O)c1cc3C(=O)C4=C(NCCS4(=O)=O)C(=O)c3cc21 |r,t:8,18|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-[#6@@H](-[#6]-[#6](=[#6])-c2c1-[#8])-c1ccc(-[#8])cc1-[#8] |r|
[#6]-[#7]-[#6](=O)-[#6@H]-1-[#6@@H](-[#8]-[#6])C2([#8])c3ccccc3-[#7]-[#6](=O)[C@]2([#7]-1-[#6])[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](=O)-[#8]-[#6])-[#6](=O)\[#6]=[#6](\[#6])-[#6] |r|
[H][C@]12CCC(=C)[C@@H](C\C=C3/[C@H](O)COC3=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO |r|
COc1c(ccc2cc3c(C(=O)C(C)(C)C(=O)C3(C)C)c(O)c12)C(C)=O
Brc1cc(Nc2ccc3nonc3c2)c2cn[nH]c2c1
COC1=C(OC)C(=O)C(CCC(C)C)=C(C)C1=O |c:2,t:13|
COC1=C(OC)C(=O)C(Nc2ccccc2)=C(C)C1=O |c:2,t:16|
COC1=C(OC)C(=O)C(Nc2ccccc2)=CC1=O |c:2,16|
COC1=C(OC)C(=O)C(Nc2ccc(Cl)cc2)=CC1=O |c:2,17|
COC1=C(OC)C(=O)C(Nc2cccc(NC(=O)Nc3ccccc3)c2)=C(C)C1=O |c:2,t:27|
NOCc1cccc(Cl)c1
CN1C(=O)N(C)[C@@]2(Oc3c(O)cc4c(CC[N+]4(C)C)c3C3C2C(=O)c2c(CCN)c[nH]c2C3=O)C1=O |r|
CO[C@]12[C@H]3N[C@H]3CN1C1=C([C@H]2COC(N)=O)C(=O)C(N)=C(C)C1=O |r,c:10,t:22|
CCc1cc2C(=O)C3=C(C(=O)c2cc1C)C(C)(C)OC3(O)C(=O)OC |c:7|
CCc1cc2C(=O)C3=C(C(=O)c2cc1C)C(C)(C)OC3(OC)C(=O)OC |c:7|
CCc1c(C)cc2C(=O)C3=C(OC(C)(C(=O)OC)C(=O)C3(C)C)C(=O)c2c1O |t:9|
COC(=O)C1=C/c2c([nH]c3ccccc23)\C(=C/c2c\1[nH]c1ccccc21)C(=O)OC |c:17,t:4|
NC(Cc1coc2ccccc12)C(O)=O
NC(Cc1csc2ccccc12)C(O)=O
CC12CCCc3coc(c13)C(=O)c1cc3C(=O)C4NCCS(=O)(=O)C4C(=O)c3cc21
CC12CCCc3coc(c13)C(=O)c1cc3C(=O)C4C(NCCS4(=O)=O)C(=O)c3cc21
COc1cc(O)c2C(=O)C3=C(C[C@H](C)O[C@@H]3C)C(=O)c2c1 |r,t:9|
COC1=NSC2C1C(=O)c1c(O)cccc1C2=O |t:2|
CC(=O)NCCc1c([nH]c2ccc(Cl)cc12)C(=O)c1ccccc1[N+]([O-])=O
[O-][N+](=O)c1ccc(cc1)C(=O)NC(c1cccc(Br)c1)n1ccnc1
c1ccc(cc1)-c1[nH]nc2ccccc12
Clc1ccc(cc1Cl)-c1n[nH]c2ccccc12
c1ccc2c(n[nH]c2c1)-c1cccnc1
Cc1ccc(cc1)S(=O)(=O)NNC(=O)c1n[nH]c2ccccc12
O=C(NNc1ccccc1)c1n[nH]c2ccccc12
N(c1ccccc1)c1ccc2c[n+]3ccccc3cc2c1
Fc1ccc(Nc2ccc3c[n+]4ccccc4cc3c2)cc1
Clc1ccc(Nc2ccc3c[n+]4ccccc4cc3c2)cc1
Clc1cccc(Nc2ccc3c[n+]4ccccc4cc3c2)c1
Nc1ccc2cc3cccc[n+]3cc2c1
Cc1ccc(Nc2ccc3c[n+]4ccccc4cc3c2)cc1
COc1ccc(Nc2ccc3c[n+]4ccccc4cc3c2)cc1
CN(C)c1ccc(Nc2ccc3c[n+]4ccccc4cc3c2)cc1
Brc1ccc(NNS(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3)C#N)cc2)cc1
CC1CC(C)CN(C1)c1ccc(cc1NC(=O)Nc1ccc(cc1)C#N)C(CC(O)=O)C(F)(F)F
Nc1ccc(O)c2ncccc12
CC(C)Nc1ccc(O)c2ncccc12
CCNc1ccc(O)c2ncccc12
COC(=O)c1c(C)oc2c1C(=O)C(OC)=CC2=O |c:15|
COC1=CC(=O)c2c(CO)c(C)oc2C1=O |t:2|
COC1=CC(=O)c2sc(C)c(CO)c2C1=O |t:2|
COC1=CC(=O)c2c(c(CO)c(C)n2C)C1=O |t:2|
COC1=CC(=O)c2c(c(CO)nn2C)C1=O |t:2|
COC1=CC(=O)c2c(nc(COc3ccc(cc3)[N+]([O-])=O)n2C)C1=O |t:2|
NS(=O)(=O)NCCNC(=O)c1n[nH]nc1\C(Nc1ccc(F)c(Br)c1)=N\O
COc1ccc2C(=O)C3=C(C[C@H](CC(O)=O)O[C@@H]3C)C(=O)c2c1 |r,t:8|
CCN(C1CCOCC1)c1ncc(cc1Nc1ccc(Cl)cc1)C1(CCC1)C(O)=O
Nc1nonc1C(NO)=NCc1ccccc1 |w:9.10|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccccc1F)-c1ccccc1C(O)=O
CC(C)C(Oc1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O)C(C)C
C[C@@H]1CCCC[C@H]1Oc1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O |r|
COc1ccc(cc1C(O)=O)-c1ccc(OC(C(C)C)C(C)C)c(NC(=O)Nc2ccc(C)cc2)c1
COc1ccc(cc1C(O)=O)-c1ccc(O[C@@H]2CCCC[C@H]2C)c(NC(=O)Nc2ccc(C)cc2)c1 |r|
CC(C)C(Oc1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nn[nH]n1)C(C)C
CCCC(CCC)Oc1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nn[nH]n1
CCCOc1c(CCC)cc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O
CCCOc1c(CCC)cc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nn[nH]n1
Cc1ccc(NC(=O)Nc2cc(cc3[C@@H]([C@H](Oc23)C=C)c2ccccc2)-c2ccccc2-c2nn[nH]n2)cc1 |r|
Cc1ccc(NC(=O)Nc2cc(cc3[C@@H]([C@@H](Oc23)C=C)c2ccccc2)-c2ccccc2-c2nn[nH]n2)cc1 |r|
Cc1ccc(NC(=O)Nc2cc(cc3[C@H](c4ccccc4)C(Oc23)(C=C)C=C)-c2ccccc2-c2nn[nH]n2)cc1 |r|
Cc1ccc(NC(=O)Nc2cc(cc3[C@H](c4ccccc4)C(C)(C)Oc23)-c2ccccc2-c2nn[nH]n2)cc1 |r|
C[C@H]1C\C=C/[C@@H](c2ccccc2)c2cc(cc(NC(=O)Nc3ccc(C)cc3)c2O1)-c1ccccc1-c1nn[nH]n1 |r,c:3|
C[C@H]1CCC[C@@H](c2ccccc2)c2cc(cc(NC(=O)Nc3ccc(C)cc3)c2O1)-c1ccccc1-c1nn[nH]n1 |r|
Cc1ccc(NC(=O)Nc2cc(cc3C(C=CCOc23)c2ccccc2)-c2ccccc2-c2nn[nH]n2)cc1 |c:15|
Cc1ccc(NC(=O)Nc2cc(cc3C(CCCOc23)c2ccccc2)-c2ccccc2-c2nc(=O)[nH]o2)cc1
Cc1ccc(NC(=O)Nc2cc(cc3C(CCCOc23)c2ccccc2)-c2ccccc2-c2nn[nH]n2)cc1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCNC(=O)c1ccc2nccn2c1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCCNC(=O)c1ccc2nccn2c1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCCCNC(=O)c1ccc2nccn2c1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCCCCNC(=O)c1ccc2nccn2c1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCCCCCNC(=O)c1ccc2nccn2c1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCc1ccc(NC(=O)c2ccc3nccn3c2)cc1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCc1ccc(CNC(=O)c2ccc3nccn3c2)cc1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCC(=O)Nc1ccc(CNC(=O)c2ccc3nccn3c2)cc1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCCC(=O)Nc1ccc(CNC(=O)c2ccc3nccn3c2)cc1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCCCC(=O)Nc1ccc(CNC(=O)c2ccc3nccn3c2)cc1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCC1CCN(CC1)C(=O)c1ccc2nccn2c1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCC1CCN(CC1)C(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCC1CCN(CC1)C(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCCCNC(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1
COc1ccc2c(c1)oc(c\c2=N/O)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(C)cc1
COc1ccc2c(c1)oc(c\c2=N/O)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1c\c(=N/O)c2ccc(OC)cc2o1
COc1ccc2c(c1)oc(c\c2=N/O)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F
COc1ccc2c(c1)oc(c\c2=N/O)C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1C
COc1ccc2c(c1)oc(c\c2=N/O)C(=O)N1CCN(CC1)S(=O)(=O)c1cccc(Br)c1
COc1ccc2c(c1)oc(c\c2=N/O)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
COc1ccc2c(c1)oc(c\c2=N/O)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Br)cc1
COc1ccc2c(c1)oc(c\c2=N/O)C(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
COc1ccc2c(c1)oc(c\c2=N/O)C(=O)N1CCN(CC1)S(=O)(=O)c1cccc(F)c1
COc1ccc2c(c1)oc(c\c2=N/O)C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F
COc1ccc2c(c1)oc(c\c2=N/O)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
COc1ccc2c(c1)oc(c\c2=N/O)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(F)c(F)c1
COc1ccc2c(c1)oc(c\c2=N/O)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(OC)c(OC)c1
COc1ccc2c(c1)oc(c\c2=N/O)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
COc1ccc2c(c1)oc(c\c2=N/O)C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl
COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1c\c(=N/O)c2ccc(C)cc2o1
Cc1ccc2c(c1)oc(c\c2=N/O)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
Cc1ccc2c(c1)oc(c\c2=N/O)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Br)cc1
Cc1ccc2c(c1)oc(c\c2=N/O)C(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
Cc1ccc2c(c1)oc(c\c2=N/O)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(F)c(F)c1
COc1ccc(cc1OC)S(=O)(=O)N1CCN(CC1)C(=O)c1c\c(=N/O)c2ccc(C)cc2o1
Cc1ccc2c(c1)oc(c\c2=N/O)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
Brc1ccc2c(n[nH]c2c1)C(=O)NNc1ccccc1
c1cc2c(c3c1cc-4[n+](c3)CCc5c4cc6c(c5)OCO6)OCO2
NS(=O)(=O)NCCNC(=O)c1n[nH]nc1-c1ccc(F)c(F)c1
CC(=O)NCCc1c[nH]c2ccc(O)cc12
O\N=C(\Nc1ccc(F)c(Br)c1)c1nonc1NCCCc1nnc(NC(=O)Cc2ccc(O)cc2)s1
O\N=C(\NCCc1ccc(Br)cc1)c1nonc1NCCCc1nnc(NC(=O)Cc2ccc(O)cc2)s1
O\N=C(\Nc1ccc(F)c(Br)c1)c1nonc1NCCCc1nnc(NC(=O)Cc2cccc(OC(F)(F)F)c2)s1
O\N=C(\NCCc1ccc(Cl)cc1)c1nonc1NCCCc1nnc(NC(=O)Cc2cccc(OC(F)(F)F)c2)s1
O\N=C(\NCCc1ccc(Cl)cc1)c1nonc1NCCCc1nnc(NC(=O)Cc2ccccc2)s1
O\N=C(\NCCc1ccc(Cl)cc1)c1nonc1NCCCc1nnc(NC(=O)Cc2ccc(O)cc2)s1
O\N=C(\NCCc1ccc(Br)cc1)c1nonc1NCCCc1nnc(NC(=O)Cc2cccc(OC(F)(F)F)c2)s1
O\N=C(\NCCc1ccc(F)cc1)c1nonc1NCCCc1nnc(NC(=O)Cc2ccc(O)cc2)s1
O\N=C(\NCCc1ccc(F)cc1)c1nonc1NCCCc1nnc(NC(=O)Cc2ccccc2)s1
O\N=C(\Nc1ccc(F)c(Br)c1)c1nonc1NCCCc1nnc(NC(=O)Cc2ccccc2)s1
O[N+](=O)C1=CC2C(C=C1)n1c(nc3ccccc3c1=O)C2=O |c:7,t:3|
[H][C@@]12Nc3ccccc3C(=O)N1C1C=CC(F)=CC1[C@H]2O |r,c:15,18|
CCOC(=O)\C=C\c1ccc2nc3C(=O)C4C=C(F)C=CC4n3c(=O)c2c1 |c:19,t:16|
CN1CCN(CCc2ccc3nc4C(=O)C5C=C(F)C=CC5n4c(=O)c3c2)CC1 |c:19,t:16|
CN(C)CCc1ccc2nc3C(=O)C4C=C(F)C=CC4n3c(=O)c2c1 |c:17,t:14|
FC1=CC2C(C=C1)n1c(nc3ccc(CCN4CCOCC4)cc3c1=O)C2=O |c:5,t:1|
CNC(=O)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CCNC(=O)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CCCCNC(=O)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CC(C)NC(=O)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CC(C)CNC(=O)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
OCCNC(=O)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NCCNC(=O)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CN(C)CCNC(=O)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NCCCNC(=O)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
COCCCNC(=O)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NCCCCNC(=O)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NC(=O)N1CCCCC1
CN1CCN(CC1)C(=O)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NC(=O)N1CCCC1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NC(=O)N1CCC(O)C1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NC(=O)N1CCC1
CN(C)C(=O)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NC(=O)NC1CCCCC1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NC(=O)NC1CCCC1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NC(=O)NC1CCC1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NC(=O)NC1CC1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NC(=O)NCC1CCCCC1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NC(=O)NCC1CCC1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NC(=O)NCC1CC1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NC(=O)Nc1ccccc1
COc1ccc(NC(=O)Nc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)cc1
COc1cccc(NC(=O)Nc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)c1
COc1ccccc1NC(=O)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
COc1ccc(NC(=O)Nc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)cc1OC
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NC(=O)Nc1ccc(F)cc1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NC(=O)Nc1ccc(Cl)cc1
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NC(=O)Nc1ccc(Br)cc1
FC(F)(F)C(=O)c1cn(CCOc2ccc3OCOc3c2)c2ccc(Br)cc12
Cc1ccc(OCCn2cc(C(=O)C(F)(F)F)c3cc(Br)ccc23)cc1
CC(C)(C)c1ccc(OCCn2cc(C(=O)C(F)(F)F)c3cc(Br)ccc23)cc1
COc1ccc(OCCn2cc(C(=O)C(F)(F)F)c3cc(Br)ccc23)cc1
COc1ccccc1OCCn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc12
FC(F)(F)C(=O)c1cn(CCOc2ccc(Cl)cc2)c2ccc(Br)cc12
Fc1ccc(OCCn2cc(C(=O)C(F)(F)F)c3cc(Br)ccc23)cc1
Fc1ccccc1OCCn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc12
NC(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc12
COCCCNC(=O)Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc12
FC(F)(F)C(=O)c1cn(CC(=O)NC2CCCCC2)c2ccccc12
c1cc2c(cc1Br)c(cn2CC(=O)NC3CCCCCC3)C(=O)C(F)(F)F
FC(F)(F)C(=O)c1cn(CC(=O)NC2CCCCCC2)c2ccccc12
CCN(CC)C(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc12
FC(F)(F)C(=O)c1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12
FC(F)(F)C(=O)c1cn(CC(=O)Nc2cccs2)c2ccccc12
COC(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc12
FC(F)(F)C(=O)c1cn(Cc2ccccc2)c2ccc(Br)cc12
FC(F)(F)C(=O)c1cn(Cc2ccccc2Cl)c2ccc(Br)cc12
Fc1ccc(Cn2cc(C(=O)C(F)(F)F)c3cc(Br)ccc23)cc1
Fc1ccc(Cn2cc(C(=O)C(F)(F)F)c3ccccc23)cc1
CCc1cccc2c(cn(CC(N)=O)c12)C(=O)C(F)(F)F
Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(N)=O
NC(=O)Cn1cc(C=O)c2cc(Br)ccc12
CC12CCCc3coc(c13)C(=O)c1cc3C(=O)C4=C(NCCS4(=O)=O)C(=O)c3cc21 |t:19|
CC(C)(C)Nc1c(nc2sccn12)-c1ccc(cc1)-c1ccccc1
CC(C)(C)CC(C)(C)Nc1c(nc2sccn12)-c1ccc(cc1)-c1ccccc1
C(CN1CCOCC1)Nc1c(nc2sccn12)-c1ccc(cc1)-c1ccccc1
CC(C)(C)CC(C)(C)Nc1c(nc2sccn12)-c1ccccc1
CC(C)(C)CC(C)(C)Nc1c(nc2sccn12)-c1cccc(c1)C#N
CC(C)(C)CC(C)(C)Nc1c(nc2sccn12)-c1ccncc1
CC(C)(C)CC(C)(C)Nc1c(nc2sccn12)-c1ccc(cc1)C(F)(F)F
CC(C)(C)Nc1c(nc2sccn12)-c1ccccc1
COc1cccc(c1)-c1nc2sccn2c1NC(C)(C)C
CC(C)(C)Nc1c(nc2sccn12)-c1ccncc1
CC(C)(C)Nc1c(nc2sccn12)-c1ccc2OCOc2c1
COc1ccc(cc1O)-c1nc2sccn2c1NC(C)(C)C
CC(C)(C)Nc1c(nc2sccn12)-c1ccc(cc1)C(F)(F)F
COc1ccc(cc1O)-c1nc2sccn2c1NC(C)(C)CC(C)(C)C
COc1ccc(cc1O)-c1nc2sccn2c1NCCN1CCOCC1
COc1ccc(cc1O)-c1nc2cc(C)ccn2c1NC(C)(C)C
COc1ccc(cc1)-c1c[nH]c2c1C1=NCCc3c[nH]c(c13)C2=O |t:15|
Brc1ccc(NNS(=O)(=O)c2ccc3NC(=O)Cc3c2)cc1
Cc1n[nH]c2Oc3[nH]nc(N)c3[C@@H](c12)c1ccc(F)c(F)c1 |r|
O[C@@H](C1CC2CCC1CC2)c1c(C2CC2)c(Cl)cc2cncn12 |r,wD:1.0,(1.58,1.54,;.25,.77,;-1.09,1.54,;-1.09,3.08,;-2.42,3.85,;-3.75,3.08,;-3.75,1.54,;-2.42,.77,;-1.7,2.12,;-3.19,2.52,;.25,-.77,;-1.09,-1.54,;-2.42,-.77,;-3.19,.57,;-3.96,-.77,;-1.09,-3.08,;-2.42,-3.85,;.25,-3.85,;1.58,-3.08,;3.04,-3.54,;3.96,-2.29,;3.08,-1.07,;1.58,-1.54,)|
C[C@@]1(CC[C@H](O)CC1)[C@@H](O)C[C@@H]1c2c(cccc2F)-c2cncn12 |r,wU:4.4,1.0,wD:11.11,8.9,(3.04,.01,;2.27,-1.32,;1.18,-2.41,;1.58,-3.9,;3.06,-4.3,;3.46,-5.79,;4.15,-3.21,;3.75,-1.72,;1.87,.16,;2.96,1.25,;.38,.56,;-.02,2.05,;-1.48,2.52,;-1.48,4.06,;-2.82,4.84,;-4.15,4.06,;-4.15,2.52,;-2.82,1.75,;-2.82,.21,;-.02,4.54,;.89,5.79,;2.35,5.31,;2.35,3.77,;.89,3.29,)|
Cc1ccc(cc1)-c1csc2ncc(C(=O)NCCc3cccc(Cl)c3)n12
COc1cccc(COC(Cn2ccnc2)c2ccc(F)c(F)c2)c1
COc1ccc2cc(-c3ccccc3)ncc2c1OC
COc1ccc2cc(-c3ccc(Br)cc3)ncc2c1OC
COc1ccc2cc(-c3ccc(F)cc3)ncc2c1OC
COc1ccc2cc(-c3ccc(C)cc3)ncc2c1OC
COc1ccc2cc(-c3ccc(C(C)(C)C)cc3)ncc2c1OC
COc1ccc(-c2cc3ccc(OC)c(OC)c3cn2)cc1
COc1ccc2cc(C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)ncc2c1OC
COc1ccc2cc(-c3ccc4ncsc4c3)ncc2c1OC
COc1ccc2cc(-c3cc4ccccc4o3)ncc2c1OC
COc1ccc2cc(-c3cccnc3)ncc2c1OC
COc1ccc2cc(-c3cccs3)ncc2c1OC
Oc1ccc2cc(-c3ccc4c(c3)OCO4)ncc2c1
Oc1cccc2cc(-c3ccccc3)ncc12
COc1ccc2cc(-c3ccccc3)ncc2c1O
COc1ccc2cc(-c3ccc4c(c3)OCO4)ncc2c1O
COc1ccc2cc(-c3ccc(C)cc3)ncc2c1O
COc1ccc(-c2cc3ccc(OC)c(O)c3cn2)cc1
COc1ccc2cc(-c3ccc(F)cc3)ncc2c1O
COc1ccc2cc(-c3ccc(C(F)(F)F)cc3)ncc2c1O
COc1ccc2cc(-c3cccs3)ncc2c1O
COc1ccc2nc(-c3ccccc3)ncc2c1O
COc1ccc(-c2ncc3c(O)c(OC)ccc3n2)cc1
COc1ccc2nc(-c3ccccc3)ccc2c1O
COc1ccc(-c2ccc3c(O)c(OC)ccc3n2)cc1
COc1ccc2cc(-c3ccc(C(=O)Nc4ccccc4)cc3)ncc2c1O
COc1ccc2cc(-c3ccc(NC(=O)c4ccccc4)cc3)ncc2c1O
COc1ccc2cc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)ncc2c1O
COc1ccc2cc(-c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3)ncc2c1O
COc1ccc2cc(-c3ccc(NC(=O)c4ccc(C)cc4)cc3)ncc2c1O
COc1cccc(C(=O)Nc2ccc(-c3cc4ccc(OC)c(O)c4cn3)cc2)c1
COc1ccc2cc(-c3ccc(NC(C)=O)cc3)ncc2c1O
COc1ccc2cc(-c3ccc(NC(=O)C(C)(C)C)cc3)ncc2c1O
COc1ccc2cc(-c3ccc(NC(=O)C(F)(F)F)cc3)ncc2c1O
COc1ccc2cc(-c3ccc(NS(C)(=O)=O)cc3)ncc2c1O
COc1ccc2cc(-c3ccc(NS(=O)(=O)C(F)(F)F)cc3)ncc2c1O
COc1ccc2cc(-c3ccc(NS(=O)(=O)C4CC4)cc3)ncc2c1O
COc1ccc2cc(-c3ccc(NS(=O)(=O)N4CCCCC4)cc3)ncc2c1O
COc1ccc2cc(-c3ccc(NC(=O)Nc4ccccc4)cc3)ncc2c1O
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
Cc1ccc2c(c1CCC(=O)NCCCCCC(=O)Nc1ccccc1N)C(=O)C(=O)C(C(C)C)=C2
CCc1c(C)cc2C(=O)C3=C(C(=O)c2c1O)C(OC)(OC3(C)C)C(=O)OC |c:9|
CCCc1c(C(=O)OC)c(OC)cc2cc3c(C(=O)C(C)(O)C(=O)C3(C)C)c(O)c12
COc1c(C(C)=O)c(C)cc2cc3c(C(=O)C(C)(C)C(=O)C3(C)C)c(O)c12
CC1C(=O)c2c(O)c3c(O)c(C(C)=O)c(C)cc3cc2C(C)(C)C1=O
CC1C(=O)c2c(O)c3c(O)c(C=C)c(C)c(O)c3cc2C(C)(C)C1=O
Cc1c(O)c2cc3c(C(=O)C(C)(O)C(=O)C3(C)C)c(O)c2c(O)c1C=C
CCc1c(C)cc2c(O)c3c(OC(C)(C(=O)OC)C(=O)C3(C)C)c(O)c2c1O
CCc1c(C)cc2C(=O)C3=C(C(=O)c2c1O)C(O)(OC3(C)C)C(=O)OC |c:9|
Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCCNc2n[n+]([O-])c3ccccc3n2)c2ccccc12 |r|
Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCNc2n[n+]([O-])c3ccccc3[n+]2[O-])c2ccccc12 |r|
Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCNc2n[n+]([O-])c3ccccc3n2)c2ccccc12 |r|
Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCCNc2n[n+]([O-])c3ccccc3[n+]2[O-])c2ccccc12 |r|
CN(C)CCc1ccc(O)c(O)c1C1=C(c2c(O)n(C)c(=O)n2C)C(=O)c2c(CCN)c[nH]c2C1=O |c:14|
CN1C(=O)N(C)[C@]2(Oc3c(O)cc4c([C@H](O)C[N+]4(C)C)c3C3=C2C(=O)c2c(CCN)c[nH]c2C3=O)C1=O |r,c:23|
CN1C(=O)N(C)[C@]2(Oc3c(O)cc4c(CC[N+]4(C)C)c3C3=C2C(=O)c2c(CCN)c[nH]c2C3=O)C1=O |r,c:22|
CC1=C(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(=O)c2c(O)cccc2C1=O |c:1|
O=C(Cc1cccnc1)c1cc2ccccc2[nH]1
Fc1cccc2[nH]c(cc12)C(=O)Cc1cccnc1
COc1cccc2[nH]c(cc12)C(=O)Cc1cccnc1
Oc1cccc2[nH]c(cc12)C(=O)Cc1cccnc1
Fc1ccc2[nH]c(cc2c1)C(=O)Cc1cccnc1
Clc1ccc2[nH]c(cc2c1)C(=O)Cc1cccnc1
Brc1ccc2[nH]c(cc2c1)C(=O)Cc1cccnc1
Cc1ccc2[nH]c(cc2c1)C(=O)Cc1cccnc1
COc1ccc2[nH]c(cc2c1)C(=O)Cc1cccnc1
O=C(Cc1cccnc1)c1cc2cc(ccc2[nH]1)-c1ccccc1
FC(F)(F)Oc1ccc2[nH]c(cc2c1)C(=O)Cc1cccnc1
Oc1ccc2[nH]c(cc2c1)C(=O)Cc1cccnc1
Fc1ccc2cc([nH]c2c1)C(=O)Cc1cccnc1
COc1cccc2cc([nH]c12)C(=O)Cc1cccnc1
COc1ccc2[nH]c(cc2c1O)C(=O)Cc1cccnc1
Clc1cc(Cl)c2cc([nH]c2c1)C(=O)Cc1cccnc1
COc1cc(OC)c2cc([nH]c2c1)C(=O)Cc1cccnc1
CC(C(=O)c1cc2ccccc2[nH]1)c1cccnc1
O=C(Cc1ccccn1)c1cc2ccccc2[nH]1
O=C(Cc1cnccn1)c1cc2ccccc2[nH]1
O=C(Cc1ccccc1)c1cc2ccccc2[nH]1
O=C(Nc1cccnc1)c1cc2ccccc2[nH]1
Cn1c(cc2ccccc12)C(=O)Cc1cccnc1
CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Cn1c(cc2cc(F)ccc12)C(=O)Cc1cccnc1
c1[nH]nnc1-c1ccccc1
COc1ccc(cc1)-c1c[nH]nn1
COc1ccccc1-c1c[nH]nn1
Brc1ccc(cc1)-c1c[nH]nn1
Brc1ccccc1-c1c[nH]nn1
Clc1ccc(cc1)-c1c[nH]nn1
Clc1ccccc1-c1c[nH]nn1
c1[nH]nnc1-c1cccnc1
Ic1[nH]nnc1-c1ccccc1
Cc1ccc(cc1)-c1nn[nH]c1Br
[O-][N+](=O)c1[nH]nnc1-c1ccc(cc1)[N+]([O-])=O
CCOC(=O)c1cn(nn1)-c1ccc(Cl)cc1
c1ccc2nnnc2c1
Fc1ccc(cc1)-c1c[nH]nn1
c1ccc2cc(c(cc2c1)C(=O)O)N
Nc1cc2ccccc2cc1CO
COC(=O)c1cc2ccccc2cc1N
c1ccc2cc(c(cc2c1)C(=O)O)O
Nc1nonc1C(NO)=Nc1cccc(Cl)c1 |w:9.10|
NC(=Nc1cccc(Cl)c1)c1nonc1N |w:2.2|
CC(C)c1cccc(c1)N=C(NO)c1nonc1N |w:9.9|
Nc1nonc1C(NO)=Nc1ccc(Cl)cc1 |w:9.10|
SCc1ccc(Cl)c(Cl)c1
SCc1ccc(Cl)cc1Cl
Cc1c2c(ccn1)c3ccc(cc3[nH]2)O
NC(=N)SCCc1ccc(Cl)cc1
[H]/N=C(N)/SCc1ccccc1Cl
NC(=N)SCc1ccc(Cl)cc1Cl
Nc1ccc2SC3=NCCN3c2c1 |t:6|
[O-][N+](=O)c1cc(ccc1Oc1ccc(cc1)C(=[NH2+])[N-]OC(=O)c1cc2ccccc2oc1=O)C(F)(F)F
NC(=NOC(=O)c1ccccc1Cl)c1cccc(CS(=O)(=O)c2ccc(Cl)cc2)c1 |w:2.2|
Cc1nnsc1C(=O)ONC(=N)COc1ccc(cc1)C1SCCS1
Nc1nonc1C(NO)=Nc1ccccc1 |w:9.10|
Nc1nonc1C(NO)=Nc1ccccc1Cl |w:9.10|
Nc1nonc1C(NO)=Nc1cccc(F)c1 |w:9.10|
Nc1nonc1C(NO)=Nc1cccc(Br)c1 |w:9.10|
Cc1cccc(c1)N=C(NO)c1nonc1N |w:7.7|
CCc1cccc(c1)N=C(NO)c1nonc1N |w:8.8|
CC(C)(C)c1cccc(c1)N=C(NO)c1nonc1N |w:10.10|
COc1cccc(c1)N=C(NO)c1nonc1N |w:8.8|
Nc1nonc1C(NO)=Nc1ccc(F)c(Br)c1 |w:9.10|
CON=C(Nc1cccc(Cl)c1)c1nonc1N |w:2.1|
NNC(=Nc1cccc(Cl)c1)c1nonc1N |w:3.3|
Nc1nonc1C(=O)Nc1cccc(Cl)c1
Nc1nonc1C(=S)Nc1cccc(Cl)c1
Oc1ccc(O)c2ccccc12
CCNc1ccc(O)c2ccccc12
CC(C)Nc1ccc(O)c2ccccc12
CC(C)Nc1cc(C2=CC(=NC(C)C)c3ccccc3C2=O)c(O)c2ccccc12 |w:10.10,t:7|
CCC(CC)Nc1cc(C2=CC(=NC(CC)CC)c3ccccc3C2=O)c(O)c2ccccc12 |w:12.12,t:9|
CC(C)N=C1C=C(C)C(=O)c2ccccc12 |w:3.2,t:5|
SC1Nc2ccccc2S1
SC1Nc2cc(Cl)ccc2S1
CN(C)CSC1Nc2ccccc2S1
Nc1nc(cs1)-c1ccccc1
CN(C)CSc1nc(cs1)-c1ccccc1
c1[nH]nnc1-c1ccncc1
c1cc(c(cc1Cl)Cc2cc(ccc2O)Cl)O
CCCC[C@H](C)Nc1cc(OC)cc2cccnc12 |r|
Oc1cccc2[nH]c3ccccc3c12
c1ccc(cc1)Nc2ccc(cc2)N
c1ccc(cc1)C(=O)c2ccccc2
O=C1c2ccccc2-c2ccccc12
OC1c2ccccc2-c2ccccc12
Nc1ccccc1Oc1ccccc1
Oc1cccc(c1)C(=O)c1ccccc1
Nc1ccc(O)c2ccccc12
c1cc2cccnc2c(c1)O
CNc1ccc(O)c2ccccc12
CCCNc1ccc(O)c2ccccc12
CC(C)(C)Nc1ccc(O)c2ccccc12
CC(C)CNc1ccc(O)c2ccccc12
CCC(CC)Nc1ccc(O)c2ccccc12
Oc1ccc(NC2CCCCC2)c2ccccc12
Oc1ccc(NCc2ccccc2)c2ccccc12
NCCNc1ccc(O)c2ccccc12
NCCCNc1ccc(O)c2ccccc12
CCN(CC)CCNc1ccc(O)c2ccccc12
CN(C)c1ccc(O)c2ccccc12
NCC(=O)Nc1ccc(O)c2ccccc12
C[C@H](N)C(=O)Nc1ccc(O)c2ccccc12 |r|
C[C@@H](N)C(=O)Nc1ccc(O)c2ccccc12 |r|
N[C@@H](CO)C(=O)Nc1ccc(O)c2ccccc12 |r|
Oc1ccc(NC(=O)[C@@H]2CCCN2)c2ccccc12 |r|
OCCOc1ccc(O)c2ccccc12
COc1ccc(N)c2ccccc12
NC(=N)SCc1ccc(cc1)C#N
CCc1ccc(CSC(N)=N)cc1
NC(=N)SCc1cccc(Cl)c1
[H]/N=C(N)/SCc1ccc(c(c1)Cl)Cl
[H]/N=C(N)/SCc1ccc(cc1)[N+](=O)[O-]
CC(C)c1ccc(CSC(N)=N)cc1
[H]/N=C(N)/SCc1ccc(cc1)Cl
NC(=N)SCCc1ccccc1Cl
NC(=N)SCc1ccc(cc1)C(O)=O
CC(C)(C)c1ccc(CSC(N)=N)cc1
NC(=N)SCc1ccc(F)cc1
NC(=N)SCc1ccc(Br)cc1
NC(=N)SCCc1cccc(Cl)c1
CN\C(SCc1ccc(Cl)cc1)=N/C
CSC(N)=Nc1ccc(Cl)cc1 |w:4.4|
CSC(N)=NCCc1ccc(Cl)cc1 |w:4.4|
NC(=S)Nc1ccc(Cl)cc1
NC(=S)NCCc1ccc(Cl)cc1
NC(=O)NCc1ccc(Cl)cc1
c1cc(ccc1CN)Cl
NCCc1ccc(Cl)cc1
c1cc(ccc1CO)Cl
SCc1ccc(Cl)cc1
SCc1ccccc1Cl
c1ccc(cc1)CS
Fc1ccc(CS)cc1
Cc1ccc(CS)cc1
COc1ccc(CS)cc1
Sc1ccc(Cl)cc1
[O-]S(=O)c1ccc(Cl)cc1
c1cc(ccc1S(=O)(=O)O)Cl
Cc1ccc(CSC(N)=N)cc1
NC(=N)SCc1ccc(cc1)C(F)(F)F
COc1ccc(CSC(N)=N)cc1
CS(=O)(=O)c1ccc(CSC(N)=N)cc1
NC(=N)SCc1ccc(cc1)C(=O)c1ccccc1
Cn1cc(C[C@H](N)C=O)c2ccccc12 |r|
COc1c2C=CC(C)(C)Oc2c2ccc(=O)oc2c1\C=C\C(C)(C)O |c:4|
c1nc(c[nH]1)-c1ccncc1
Brc1cccc(c1)-c1c[nH]nn1
Cc1ccccc1-c1c[nH]nn1
Brc1cc(ccn1)-c1c[nH]nn1
Fc1cc(ccn1)-c1c[nH]nn1
Fc1ccccc1-c1c[nH]nn1
Clc1cccc(-c2c[nH]nn2)c1Cl
N#Cc1cccc(c1)-c1c[nH]nn1
FC(F)(F)c1cccc(c1)-c1c[nH]nn1
Fc1cccc(c1)-c1c[nH]nn1
FC(F)(F)c1cc(ccn1)-c1c[nH]nn1
Cc1ccc(Cl)cc1-c1c[nH]nn1
CCc1ccccc1-c1c[nH]nn1
Fc1ccc2c(C=Cc3nnn[nH]3)c[nH]c2c1 |w:6.5|
CCc1cccc(c1)-c1c[nH]nn1
Oc1cccc(c1)-c1c[nH]nn1
Nc1cccc(c1)-c1c[nH]nn1
Cc1cccc(c1)-c1c[nH]nn1
Clc1ccc(Cl)c(c1)-c1c[nH]nn1
Clc1cc(ccn1)-c1c[nH]nn1
[O-][N+](=O)c1cccc(c1)-c1c[nH]nn1
FC(F)(F)c1ccccc1-c1c[nH]nn1
Cc1ccc(cc1)-c1c[nH]nn1
FC(F)(F)c1ccc(cc1)-c1c[nH]nn1
O=Cc1ccccc1-c1c[nH]nn1
CNc1ccccc1-c1c[nH]nn1
Cc1c(Cl)cccc1-c1c[nH]nn1
Cc1cccc(N)c1-c1c[nH]nn1
Cc1cccc(NC(=O)C(F)(F)F)c1-c1c[nH]nn1
Cc1ccc(N)cc1-c1c[nH]nn1
Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O
Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C
COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC
Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C(=O)Nc2ccc(cc2)O)\C)\C
c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10|
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C
C[C@]12CC[C@H]3[C@@](C)(CC[C@@H]4[C@]3(C)CC[C@@H]3O[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]43C)[C@@H]1Cc1c2c(ccc1O)C(O)C(O)=O |r|
C[C@@H]1CCC=C(C)[C@@]1(C)CC[C@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](Cc5c4c(ccc5O)C(O)C(O)=O)[C@]3(C)CC[C@@H]12 |r,t:4|
C[C@]12CC[C@H]3[C@@](C)(CC[C@@H]4[C@]3(C)CC[C@@H]3O[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]43C)[C@@H]1Cc1c2c(C=O)ccc1O |r|
C[C@@H]1CCC=C(C)[C@@]1(C)CC[C@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](Cc5c4c(C=O)ccc5O)[C@]3(C)CC[C@@H]12 |r,t:4|
Nc1c(C(O)=O)c2nc3c(cccc3oc2cc1=O)C(O)=O
COc1ccc(cc1)C(=O)CNc1cc(O)c2c(CCNC(=O)OC(C)(C)C)cn(c2c1O)S(=O)(=O)c1ccc(C)cc1
COc1ccc(cc1)-c1c[nH]c2c1C(=O)c1[nH]ccc1C2=O
COc1ccc(cc1)-c1c[nH]c2c1C(=O)c1cc[nH]c1C2=O
COc1ccc(cc1)-c1c[nH]c2c1C(=O)c1c(c(CCN)cn1S(=O)(=O)c1ccc(C)cc1)C2=O
COc1ccc(cc1)C(=O)CNc1cc(O)c2n(cc(CCNC(=O)OC(C)(C)C)c2c1O)S(=O)(=O)c1ccc(C)cc1
COc1ccc(cc1)C(=O)CNc1cc(O)c2n(ccc2c1O)S(=O)(=O)c1ccc(C)cc1
COc1ccc(cc1)-c1c[nH]c2c1C(=O)c1[nH]cc3CCN=C2c13 |t:23|
Oc1ccc(cc1)-c1c[nH]c2c1C(=O)c1[nH]cc3CCN=C2c13 |t:22|
COc1ccc(cc1)C1CN=C2C1C(=O)c1c(ccn1S(=O)(=O)c1ccc(C)cc1)C2=O |c:11|
COc1ccc(cc1)C1CN=C2C1C(=O)c1c(c(CCN)cn1S(=O)(=O)c1ccc(C)cc1)C2=O |c:11|
COc1ccc(cc1)-c1c[nH]c2c1C(=O)c1c(CCN)cn(c1C2=O)S(=O)(=O)c1ccc(C)cc1
COc1ccc(cc1)-c1c[nH]c2c1C(=O)c1c3c(CCN=C23)cn1S(=O)(=O)c1ccc(C)cc1 |t:22|
COc1ccc(cc1)C1CN=C2C1C(=O)c1c(CCN)cn(c1C2=O)S(=O)(=O)c1ccc(C)cc1 |c:11|
COc1ccc(cc1)C(=O)CNc1cc(O)c2ccn(c2c1O)S(=O)(=O)c1ccc(C)cc1
COc1ccc(cc1)-c1c[nH]c2c1C1=NCCc3cn(c(c13)C2=O)S(=O)(=O)c1ccc(C)cc1 |t:15|
COc1ccc(cc1)C1CN=C2C1C(=O)c1ccn(c1C2=O)S(=O)(=O)c1ccc(C)cc1 |c:11|
CCCCc1cc2c(c[nH]1)nc1ccccc21
C[C@@H]1c2[nH]c3ccccc3c2Cc2c(O)n(C)c(=S)n12 |r|
C[C@H]1c2[nH]c3c(cccc3c2Cc2c(O)n(C)c(=S)n12)-c1ccccc1 |r|
C[C@H]1c2[nH]c3cc(ccc3c2Cc2c(O)n(C)c(=S)n12)-c1ccccc1 |r|
C[C@H]1c2[nH]c3ccc(cc3c2Cc2c(O)n(C)c(=S)n12)-c1ccccc1 |r|
C[C@H]1c2[nH]c3cccc(-c4ccccc4)c3c2Cc2c(O)n(C)c(=S)n12 |r|
C[C@H]1c2[nH]c3c(Cl)cccc3c2Cc2c(O)n(C)c(=S)n12 |r|
C[C@H]1c2[nH]c3cc(Cl)ccc3c2Cc2c(O)n(C)c(=S)n12 |r|
C[C@H]1c2[nH]c3ccc(Cl)cc3c2Cc2c(O)n(C)c(=S)n12 |r|
C[C@H]1c2[nH]c3cccc(Cl)c3c2Cc2c(O)n(C)c(=S)n12 |r|
C[C@H]1c2[nH]c3c(Br)cccc3c2Cc2c(O)n(C)c(=S)n12 |r|
C[C@H]1c2[nH]c3cc(Br)ccc3c2Cc2c(O)n(C)c(=S)n12 |r|
C[C@H]1c2[nH]c3ccc(Br)cc3c2Cc2c(O)n(C)c(=S)n12 |r|
C[C@H]1c2[nH]c3cccc(Br)c3c2Cc2c(O)n(C)c(=S)n12 |r|
C[C@H]1c2[nH]c3c(ccc4ccccc34)c2Cc2c(O)n(C)c(=S)n12 |r|
C[C@H]1c2[nH]c3cc4ccccc4cc3c2Cc2c(O)n(C)c(=S)n12 |r|
C[C@H]1c2[nH]c3ccc4ccccc4c3c2Cc2c(O)n(C)c(=S)n12 |r|
Fc1ccc-2c(c1)C(=O)c1nc3ccc(Cn4cc(nn4)-c4ccccc4)cc3c(=O)n-21
Brc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Fc1ccc-2c(c1)C(=O)c1nc3ccc(F)cc3c(=O)n-21
Clc1cccc-2c1C(=O)c1nc3ccccc3c(=O)n-21
Clc1ccc2C(=O)c3nc4ccccc4c(=O)n3-c2c1
O[C@H]1[C@@H]2Nc3ccccc3C(=O)N2c2ccccc12 |r|
O[C@H]1[C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc12 |r|
Fc1ccc2nc3C(=O)c4ccccc4-n3c(=O)c2c1
O[C@H]1[C@@H]2Nc3ccc(F)cc3C(=O)N2c2ccccc12 |r|
c1ccc(cc1)NN
NNc1nc2ccccc2s1
NNc1nc2cc(Cl)ccc2s1
S(Sc1nc2ccccc2s1)c1nc2ccccc2s1
Sc1nc2ccccc2s1
Nc1nc2ccc(cc2s1)[N+]([O-])=O
c1ccc2c(c1)ncs2
NNC(=S)Nc1ccccc1F
NN=C(S)Nc1ccccc1Cl
NNC(=S)Nc1ccccc1Br
NNC(=S)Nc1cccc(Br)c1
NNC(=S)Nc1cccc(F)c1
NN=C(S)Nc1cccc(Cl)c1
NNC(=S)Nc1cccc(c1)C#N
NNC(=S)Nc1cccc(c1)C(F)(F)F
NN=C(S)Nc1ccc(Cl)cc1
NNC(=S)Nc1ccc(F)cc1
NNC(=S)Nc1ccc(Br)cc1
NNC(=S)Nc1ccc(I)cc1
NNC(=S)Nc1ccc(cc1)C#N
CN(C)c1ccc(NC(=S)NN)cc1
NNC(=S)Nc1ccc(cc1)[N+]([O-])=O
COc1ccc(NC(=S)NN)cc1
Cc1ccc(NC(=S)NN)cc1
CSc1ccc(NC(=S)NN)cc1
NNC(=S)Nc1cc(Cl)ccc1Cl
NNC(=S)Nc1cccc(Cl)c1Cl
COc1ccc(Cl)cc1NC(=S)NN
NNC(=S)Nc1ccc(cc1Cl)[N+]([O-])=O
NNC(=S)Nc1ccc(Cl)cc1Cl
NNC(=S)Nc1cc(Cl)cc(Cl)c1
NNC(=S)Nc1ccc(Cl)c(Cl)c1
NNC(=S)Nc1ccc(Cl)c(c1)C(F)(F)F
NNC(=S)Nc1ccc(C#N)c(Cl)c1
NNC(=S)Nc1cc(Cl)c(Cl)cc1Cl
NNC(=S)Nc1c(F)c(F)c(F)c(F)c1F
CN(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccccc1
CN(NC(=S)Nc1ccc(C#N)c(Cl)c1)c1ccccc1
COc1ccc(NC(=O)NCc2cnc3scc(-c4ccc(Br)cc4)n23)cc1
COc1cccc(NC(=O)NCc2cnc3scc(-c4ccc(Br)cc4)n23)c1
Brc1ccc(cc1)-c1csc2ncc(CNC(=O)Nc3ccc4OCOc4c3)n12
Brc1ccc(cc1)-c1csc2ncc(CNC(=O)NC3CCCCC3)n12
Brc1ccc(cc1)-c1csc2ncc(CNC(=O)NCc3ccccc3)n12
Brc1ccc(cc1)-c1csc2ncc(CNC(=O)Nc3ccccc3)n12
Cc1ccc(cc1)-c1csc2ncc(C(=O)NCCc3ccc4OCOc4c3)n12
Cc1ccc(cc1)-c1csc2ncc(C(=O)NCCc3ccccc3)n12
CCOC(=O)c1cnc2sc3ccccc3n12
CCOC(=O)c1cnc2scc(Cc3ccccc3)n12
CCOC(=O)c1cnc2scc(-c3ccc(Br)cc3)n12
CCOC(=O)c1cnc2scc(-c3ccc(Cl)cc3)n12
CCOC(=O)c1cnc2scc(-c3ccc(OC)cc3)n12
CCOC(=O)c1cnc2scc(-c3ccc(CC)cc3)n12
CCOC(=O)c1cnc2scc(C3=CCCCC3)n12 |t:12|
CCOC(=O)c1cnc2scc(-c3ccccc3)n12
CCOC(=O)c1cnc2scc(-c3ccccc3C)n12
CCOC(=O)c1cnc2scc(-c3cccc(C)c3)n12
CCOC(=O)c1cnc2scc(-c3ccc(C)cc3)n12
Cc1cnc2scc(-c3ccc(C)cc3)n12
O=S(=O)(CCc1ccccc1)NNc1ccccc1
Cc1cccc(NNS(=O)(=O)c2ccc(cc2)S(C)(=O)=O)c1
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1cccc(C)c1
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(C)cc1
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)c(C)c1
Cc1cccc(NNS(=O)(=O)c2ccc(cc2)C#N)c1
Cc1cccc(NNS(=O)(=O)c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c1
OC(=O)c1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccccc1
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(F)cc1
Cc1cccc(NNS(=O)(=O)c2ccc(cc2)C(=O)NCC(O)=O)c1
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Cl)c(F)c1
Brc1ccc(NNS(=O)(=O)c2ccc(Br)cc2)cc1
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(F)c(Cl)c1
COC(=O)CCc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1cccc(F)c1
OC(=O)COc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(F)c(Br)c1
Brc1ccc(NNS(=O)(=O)c2ccccc2)cc1
CCCC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
Brc1ccc(NNS(=O)(=O)c2ccc(cc2)C#N)cc1
OC(=O)CCc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Cl)cc1
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(cc1)C(F)(F)F
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)c(F)c1
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Cl)c(Cl)c1
COc1ccc(NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1cccc(Br)c1
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1cc(Cl)cc(Cl)c1
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(F)cc1F
COc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(cc1)C#N
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1cc(F)cc(F)c1
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(cc1)S(N)(=O)=O
CN(NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(Br)cc1
Fc1c(Cl)cccc1-n1sccc1=O
CCOC(=O)c1ccc(cc1)-n1sccc1=O
Cc1ccc(cc1)-n1nnnc1C\C=N\Nc1ccc(Cl)cc1
Clc1ccc(CCn2ccnc2)c(Cl)c1
COC(Cn1ccnc1)c1ccc(Cl)cc1Cl
OC(Cn1ccnc1)c1ccc(Cl)cc1Cl
OC(Cn1ccnc1)c1ccccc1Cl
OC(Cn1ccnc1)c1ccc(Cl)c(Cl)c1
Clc1ccc(Cn2ccnc2)c(Cl)c1
NNCCc1ccccc1
c1ccc(cc1)c2ccc(cc2)[C@H](c3ccccc3)n4ccnc4
Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1
Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1
Clc1ccc(CO\N=C(/Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
COC(=O)C(\C#N)=C(/C#N)c1ccc(Br)o1
NC(=[NH2+])SCc1nc(no1)-c1ccc(Cl)cc1
[#7]S(=O)(=O)c1cc2\[#6](=[#6](\C#N)C#N)-c3cc(cc(c3-c2c(c1)-[#7+](-[#8-])=O)-[#7+](-[#8-])=O)S([#7])(=O)=O
COC(=O)C(\C#N)=C1\C(=O)Nc2ccccc12
FC(F)(F)c1cccc(NC(=O)C(C#N)C(=S)Nc2ccccc2Cl)c1
NNC(=O)c1nn(-c2ccccc2)c(=O)c2c(N)scc12
Clc1ccc(Nc2cn[nH]n2)cc1C#N
Cc1cc(F)ccc1Nc1c[nH]nn1
OC(=O)C1CC(Cc2cc(Cl)ccc2Nc2cn[nH]n2)C1 |(14.8,-8.24,;16.13,-9,;16.13,-10.54,;17.47,-8.23,;17.87,-6.74,;19.35,-7.15,;20.69,-6.37,;22.02,-7.14,;22.02,-8.69,;23.35,-9.46,;23.35,-11,;24.69,-8.69,;24.69,-7.14,;23.36,-6.37,;23.36,-4.83,;24.69,-4.06,;24.85,-2.53,;26.35,-2.21,;27.12,-3.55,;26.09,-4.69,;18.96,-8.63,)|
CS(=O)(=O)NCc1cc(Cl)ccc1Nc1cnn[nH]1
CCc1cc(Nc2cnn[nH]2)ccc1Cl
CCc1cc(Cl)ccc1Nc1cnn[nH]1
Cc1ccccc1Cn1nnc2c1C(=O)c1ccccc1C2=O
Fc1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
Cc1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
Brc1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
Brc1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
Clc1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
Cc1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
OC(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
OC(=O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
CCN(CC)C(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
CCN(CC)C(=O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
CC(=O)N1CCN(CC1)C(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
O=C(N1CCOCC1)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
CC(=O)N1CCN(CC1)C(=O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
O=C(N1CCOCC1)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
CN1CCN(CC1)C(=O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
COC1CCN(CC1)C(=O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
CCN(CC)C(=O)Cc1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
Cc1ncc2-c3ccccc3C(CC(O)C3CCCCC3)n12
OC(CC1Nc2ccccc2-c2cncn12)C1CCCCC1
OC(Cn1c2ccccc2c2ccncc12)C1CCCCC1
O=C(Cn1c2ccccc2c2cccnc12)C1CCCCC1
OC(Cn1c2ccccc2c2cccnc12)C1CCCCC1
CN1C(=O)Cc2cc(ccc12)S(=O)(=O)NNc1ccc(Br)cc1
FC1(F)C(=O)Nc2ccc(cc12)S(=O)(=O)NNc1ccc(Br)cc1
CC1(C)C(=O)Nc2ccc(cc12)S(=O)(=O)NNc1ccc(Br)cc1
Brc1ccc(NNS(=O)(=O)c2ccc3NC(=O)CCc3c2)cc1
Brc1ccc(NNS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1
Brc1ccc(NNS(=O)(=O)c2ccc3NC(=O)CCCc3c2)cc1
Oc1nc2cc(ccc2[nH]1)S(=O)(=O)NNc1ccc(Br)cc1
Nc1nc2cc(ccc2[nH]1)S(=O)(=O)NNc1ccc(Br)cc1
Cn1c2ccc(cc2n(C)c1=O)S(=O)(=O)NNc1ccc(Br)cc1
Brc1ccc(NNS(=O)(=O)c2ccc3NC(=O)C(=O)c3c2)cc1
CC(=O)N1CCc2cc(ccc12)S(=O)(=O)NNc1ccc(Br)cc1
Brc1ccc(NNS(=O)(=O)c2ccc(cc2)N2CCCC2=O)cc1
Brc1ccc(NNS(=O)(=O)c2ccc(NC(=O)CCN3CCOCC3)cc2)cc1
NOCc1cccc(Br)c1
NOCc1cccc(F)c1
NOCc1cccc(I)c1
NOC1CCc2ccccc12
NOC1CCCc2ccccc12
NOCC=Cc1ccccc1
NOC(C1CC1)c1ccccc1
c1ccc(cc1)CNN
c1ccc(cc1)C(=O)NO
NOCc1ccc(cc1)[N+]([O-])=O
NOCc1ccccc1O
COc1ccc(CON)cc1
NOCc1ccc(O)cc1
NOCc1cccc(Cl)c1Cl
NOCc1ccc(Cl)c(c1)C(F)(F)F
NOCc1cc(ccc1F)C(F)(F)F
COc1ccc(OC)c(CON)c1
NOCc1ccc(Cl)c(Cl)c1
NOCc1ccc(F)cc1C(F)(F)F
NOCc1cc(Br)cc(Br)c1
NOCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
NOCc1ccc(I)cc1
NOCc1cccc(Cl)c1
COc1cccc(CON)c1O
NOCc1cc(F)cc(F)c1
NOCc1ccc(F)cc1F
NOCc1ccc(cc1F)C(F)(F)F
NOCc1cc(Cl)cc(Cl)c1
NOCc1ccc(I)cc1Cl
NOCc1ccc(Cl)cc1Cl
NOCc1cccc(c1)C(F)(F)F
NOCc1ccccc1I
NOCc1ccccc1Cl
NOCc1ccc(F)cc1
NOCc1ccc(Cl)cc1
NOCc1ccccc1F
NOCc1ccc(Br)cc1
NOCc1ccccc1Br
NOCc1ccccc1C(F)(F)F
Cc1cccc(CON)c1
COc1ccccc1CON
NOCc1ccc(cc1)C(F)(F)F
COc1cccc(CON)c1
NOCc1ccc(cc1)-c1ccccc1
CC(C)c1ccc(CON)cc1
ONCc1ccccc1
ONc1ccccc1
NOC1Cc2ccccc2C1
NOCCC1Cc2ccccc2C1
NOCCCc1ccccc1
Cc1n[nH]c2Oc3[nH]nc(C)c3C(c12)c1ccc(Cl)c(Cl)c1
Cc1n[nH]c2Oc3[nH]nc(C)c3C(c12)c1ccc(F)cc1
Cc1n[nH]c2Oc3[nH]nc(N)c3C(c12)c1ccc(F)c(F)c1
NC1=C(C#N)C(c2ccc(F)cc2)c2c(N1)[nH]c(=O)[nH]c2=O |c:1|
NC1=C(C#N)C(c2ccc(F)c(Cl)c2)c2c(N1)[nH]c(=O)[nH]c2=O |c:1|
Fc1ccc(cc1F)-c1c(C#N)c(=O)[nH]c2[nH]c(=O)[nH]c(=O)c12
Cc1n[nH]c2Oc3[nH]c(=O)[nH]c(=O)c3C(c12)c1ccc(Cl)cc1
Cc1n[nH]c2Oc3[nH]nc(C)c3C(c12)c1ccccc1F
NC1=C(C#N)C(c2ccccc2)c2c(N1)[nH]c(=O)[nH]c2=O |c:1|
NC1=C(C#N)C(c2ccc(F)c(F)c2)c2c(N1)[nH]c(=O)[nH]c2=O |c:1|
Fc1cccc(c1)-c1c(C#N)c(=O)[nH]c2[nH]c(=O)[nH]c(=O)c12
Cc1n[nH]c2Oc3[nH]nc(N)c3C(c12)c1ccc(F)c(Cl)c1
Clc1ccc(cc1)-c1c(C#N)c(=O)[nH]c2[nH]c(=O)[nH]c(=O)c12
Cc1n[nH]c2Oc3[nH]nc(C)c3C(c12)c1ccc(Cl)cc1
Cc1n[nH]c2Oc3[nH]c(=O)[nH]c(=O)c3C(c12)c1cccc(F)c1
Fc1ccc(cc1Cl)-c1c(C#N)c(=O)[nH]c2[nH]c(=O)[nH]c(=O)c12
COc1ccc(cc1O)C1c2c(C)n[nH]c2Oc2[nH]nc(N)c12
Cc1n[nH]c2Oc3[nH]c(=O)[nH]c(=O)c3C(c12)c1ccc(F)cc1
Cc1n[nH]c2Oc3[nH]nc(C)c3C(c12)c1cccc(Cl)c1
Cc1n[nH]c2Oc3[nH]nc(C)c3C(c12)c1ccc(F)c(Cl)c1
Cc1n[nH]c2Oc3[nH]c(=O)[nH]c(=O)c3C(c12)c1ccc(F)c(Cl)c1
NC1=C(C#N)C(c2ccc(Cl)cc2)c2c(N1)[nH]c(=O)[nH]c2=O |c:1|
NC1=C(C#N)C(c2ccc(Br)cc2)c2c(N1)[nH]c(=O)[nH]c2=O |c:1|
O=c1[nH]c2[nH]c(=O)c(C#N)c(-c3ccccc3)c2c(=O)[nH]1
Fc1ccc(cc1)-c1c(C#N)c(=O)[nH]c2[nH]c(=O)[nH]c(=O)c12
Clc1ccc(cc1Cl)-c1c(C#N)c(=O)[nH]c2[nH]c(=O)[nH]c(=O)c12
Cc1n[nH]c2Oc3[nH]c(=O)[nH]c(=O)c3C(c12)c1ccc(F)c(F)c1
Cc1n[nH]c2Oc3[nH]c(=O)[nH]c(=O)c3C(c12)c1ccc(Cl)c(Cl)c1
Cc1n[nH]c2Oc3[nH]nc(C)c3C(c12)c1ccccc1
Cc1n[nH]c2Oc3[nH]nc(C)c3C(c12)c1cccc(F)c1
Cc1n[nH]c2Oc3[nH]nc(C)c3C(c12)c1ccc(F)c(F)c1
Nc1n[nH]c2Oc3[nH]nc(N)c3C(c12)c1ccc(F)c(F)c1
NC1=C(C#N)C(c2cccc(Cl)c2)c2c(N1)[nH]c(=O)[nH]c2=O |c:1|
Clc1cccc(c1)-c1c(C#N)c(=O)[nH]c2[nH]c(=O)[nH]c(=O)c12
Nc1n[nH]c2Oc3[nH]nc(N)c3C(c12)c1ccc(F)c(Cl)c1
NC1=C(C#N)C(c2cccc(F)c2)c2c(N1)[nH]c(=O)[nH]c2=O |c:1|
NC1=C(C#N)C(c2ccc(Cl)c(Cl)c2)c2c(N1)[nH]c(=O)[nH]c2=O |c:1|
Brc1ccc(cc1)-c1c(C#N)c(=O)[nH]c2[nH]c(=O)[nH]c(=O)c12
Cc1n[nH]c2Oc3[nH]c(=O)[nH]c(=O)c3C(c12)c1cccc(Cl)c1
Cc1n[nH]c2Oc3[nH]c(=O)[nH]c(=O)c3C(c12)c1ccc(Br)cc1
Cc1n[nH]c2Oc3[nH]nc(N)c3C(c12)c1ccc(F)cc1
Cc1n[nH]c2Oc3[nH]c(=O)[nH]c(=O)c3C(c12)c1ccccc1
Cc1n[nH]c2Oc3[nH]nc(C)c3C(c12)c1ccc(Br)cc1
CNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CN(C)c1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCc1ccccc1
COCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
OCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CC(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1cccc(c1)C(O)=O
COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C(C)(C)CO)c(NC(=O)Nc2ccc(C)cc2)c1
CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccccc1)-c1cccc(c1)C(O)=O
Cc1ccc(NC(=O)Nc2cc(ccc2Oc2ccccc2C(C)(C)C)-c2cccc(C(O)=O)c2F)cc1
Cc1ccc(NC(=O)Nc2cc(ccc2Oc2ccccc2C(C)(C)C)-c2cc(Cl)cc(c2)C(O)=O)cc1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C(C)(C)C)c(NC(=O)Nc2ccc(C)cc2)c1
CCc1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccc(OC)c(c1)C(O)=O
COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2Cl)c(NC(=O)Nc2ccc(C)cc2)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C#N)c(NC(=O)Nc2ccc(C)cc2)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccc(C)cc2)c1
Cc1cccc2n(C)c3c4C(=O)C=CC(=O)c4ccc3c12 |c:12|
CN1CCN(CC1)C(CO)Cc1ccccc1
CC1CC(SCc2ccc(Cl)cc2Cl)=NC(=O)N1 |c:14|
Cc1cc(I)ccc1Nc1cc2no[n+]([O-])c2cc1C(O)=O
Cc1cc(I)ccc1Nc1cc2nonc2cc1C(O)=O
Oc1cccc(c1)-c1nc2c([nH]1)c1ccccc1c1ccccc21
Cc1ccccc1C1=[N+]([O-])c2ccccc2C1=O |c:8|
COc1ccc(cc1)C1=[N+]([O-])c2ccccc2C1=O |c:9|
N=C1C(=Nc2ccccc12)c1ccccc1 |c:2|
O\N=C1\C(Nc2ccccc12)c1ccccc1
CC1=CC(C)(C)NC(=S)N1c1cccc2cc(ccc12)S(N)(=O)=O |t:1|
COc1cccc(NC(S)=Nc2ccc(O)cc2)c1
CC(=O)OCCn1c2cc(C)c(C)cc2nc2c1nc(=O)[nH]c2=O
COc1c(NC(C)=O)c2ccccc2c2ccccc12
CC1=NC(SCc2ccc(Cl)cc2Cl)=NC(=O)C1 |c:14,t:1|
Clc1ccc(CSc2ncn[nH]2)c(Cl)c1
[O-][N+]1=C(C(=O)c2ccccc12)c1ccccc1 |t:1|
[O-][N+](=O)c1ccc(Sc2ccc(F)cc2)c2nonc12
Oc1nccc(SCc2ccc(Cl)cc2Cl)n1
Cc1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
[O-][N+](=O)c1ccc(Nc2ccc(Br)cc2)c2nonc12
Cc1ccc(Nc2ccc([N+]([O-])=O)c3nonc23)cc1
Clc1ccc(SCNc2ccccc2Cl)cc1
Cc1ccc(cc1)[S+]([O-])c1ccc([N+]([O-])=O)c2nonc12
COc1cc2C(=O)C(c3ccccc3)=[N+]([O-])c2cc1OC |t:14|
Cc1ccccc1-c1nc2c([nH]1)c1ccccc1c1ccccc21
OC(=O)Cc1ccc(cc1)\N=N\c1c(O)c(cc2ccccc12)C(O)=O
OC(=O)c1cc(F)c2nonc2c1Nc1ccc(I)cc1F
COc1ccc(Nc2ccc([N+]([O-])=O)c3nonc23)cc1
Clc1ccc(NC(=O)Sc2ccccc2Cl)cc1
[O-][N+](=O)c1ccc(Nc2ccccc2)c2nonc12
[O-][N+](=O)c1ccc(NCSc2ccc(Cl)cc2)cc1
O=C1C(=Nc2ccccc12)c1ccccc1 |c:2|
Nc1ccc(Cl)cc1
Fc1ccccc1-c1nc2c([nH]1)c1ccccc1c1ccccc21
Cn1c2ccccc2c2ccc3C(=O)C=CC(=O)c3c12 |c:15|
[O-][N+](=O)c1ccc(Sc2cccc(Cl)c2)c2nonc12
CCn1c2ccccc2nc2cc3c(cc12)c(Cl)c(=O)c1ccccc31
Cc1ccc2n(C)c3c4C(=O)C=CC(=O)c4ccc3c2c1 |c:11|
[O-][N+](=O)c1ccc(Sc2cccc[n+]2[O-])c2nonc12
[O-][N+](=O)c1ccccc1NCSc1ccc(Cl)cc1
COc1c(O)ccc2CC3N(CCc4cc5OCOc5cc34)Cc12
Oc1ccc(cc1)-c1nc2c([nH]1)c1ccccc1c1ccccc21
CC[C@@H](CNc1cc(OC)cc2cccnc12)NC1CCCCC1 |r|
COC12C3C(CN1C1=C(C2COC(N)=O)C(=O)C(N)=C(C)C1=O)N3C |c:8,t:20|
c1c2c(c(c(c1O)O)O)C(=O)C(=CC=C2)O
[O-][N+](=O)c1ccc(Sc2ccc(Cl)cc2Cl)c2nonc12
N1c2ccccc2Sc2cnccc12
C(CSc1nc2ccccc2s1)Nc1ccccc1
NNC(=O)CNc1cccc(Br)c1
COc1cc(C=C)cc2c1c1cc(OC)c3c(O)ccc([C@@H]4O[C@H](C)[C@H](O)[C@@](C)(O)[C@H]4O)c3c1oc2=O |r|
CC(=O)OC1=C(C(=O)c2ccccc12)c1ccccc1 |t:4|
[O-][N+](=O)c1cccc2nsnc12
COc1ccc2n(C)c3c4C(=O)C=CC(=O)c4ccc3c2c1 |c:12|