7720 SMILES Strings for Amine oxidase [flavin-containing] B

Compound Name
SMILES String
CCOC(=O)c1cnc2cc(OCc3ccc(Cl)cc3)ccc2c1
CCOC(=O)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1
CCOC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
CCOC(=O)c1cnc2cc(OCc3cccc(F)c3)ccc2c1
CCOC(=O)c1cnc2cc(OCc3cccc(c3)C(F)(F)F)ccc2c1
CCOC(=O)c1cnc2cc(OCc3ccc(cc3)C(F)(F)F)ccc2c1
CCOC(=O)c1cnc2cc(OCc3cccc(C)c3)ccc2c1
CCOC(=O)c1cnc2cc(OCc3ccc(C)cc3)ccc2c1
CCOC(=O)c1cnc2cc(OCc3cccc(OC)c3)ccc2c1
CCOC(=O)c1cnc2cc(OCc3ccc(OC)cc3)ccc2c1
CCOC(=O)c1cnc2cc(OCc3ccc(cc3)[N+]([O-])=O)ccc2c1
CCOC(=O)c1cnc2cc(OCc3ccc(F)c(c3)C(F)(F)F)ccc2c1
CCOC(=O)c1cnc2cc(OCc3cc(F)cc(c3)C(F)(F)F)ccc2c1
CCOC(=O)c1cnc2cc(OCc3ccc(F)c(F)c3)ccc2c1
CCOC(=O)c1cnc2cc(OCc3cc(F)cc(F)c3)ccc2c1
CCOC(=O)c1cnc2cc(OCc3cc(F)c(F)c(F)c3)ccc2c1
CCOC(=O)c1cnc2cc(OCc3ccc(F)c(Cl)c3)ccc2c1
CCOC(=O)c1cnc2cc(OCc3cccc(c3)[N+]([O-])=O)ccc2c1
CCOC(=O)c1cnc2cc(OCc3cc(F)cc(Cl)c3)ccc2c1
CCOC(=O)c1cc2ccc(OCc3cccc(Cl)c3)cc2nc1C
CCOC(=O)c1cc2ccc(OCc3cccc(F)c3)cc2nc1C
CCOC(=O)c1cc2ccc(OCc3ccc(F)cc3)cc2nc1C
CCOC(=O)c1cc2ccc(OCc3ccc(F)c(Cl)c3)cc2nc1C
CCOC(=O)c1cnc2cc(OCCc3cccc(F)c3)ccc2c1
CCOC(=O)c1cnc2cc(OCCc3cccc(Cl)c3)ccc2c1
COC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
CC(C)(O)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1
CC(C)(O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
CC(C)(O)c1cnc2cc(OCc3cc(F)cc(F)c3)ccc2c1
CC(C)(O)c1cnc2cc(OCc3cc(F)c(F)c(F)c3)ccc2c1
Cc1nc2cc(OCc3ccc(F)cc3)ccc2cc1C(C)(C)O
Cc1nc2cc(OCc3cccc(Cl)c3)ccc2cc1C(C)(C)O
Cc1nc2cc(OCc3ccc(F)c(Cl)c3)ccc2cc1C(C)(C)O
Cc1nc2cc(OCc3cccc(F)c3)ccc2cc1C(C)(C)O
OCc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
OCc1cnc2cc(OCc3cc(F)cc(F)c3)ccc2c1
OCc1cnc2cc(OCc3cc(F)c(F)c(F)c3)ccc2c1
CC(C)(O)c1cnc2cc(OCc3cccc(F)c3)ccc2c1
CC(C)(O)c1cnc2cc(OCCc3cccc(Cl)c3)ccc2c1
COCc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
CC(C)(F)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1
CC(=O)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1
CC(O)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1
C[C@@H](O)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1 |r|
C[C@H](O)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1 |r|
CNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
NCCNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
CNCCNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
CN(C)CCNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
NCc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
CCOC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
CCOC(=O)Cc1cnc2cc(OCc3cccc(F)c3)ccc2c1
CCOC(=O)Cc1cnc2cc(OCc3ccc(F)cc3)ccc2c1
COC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
NC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
OCCc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
NC(=O)Cc1cnc2cc(OCc3cccc(F)c3)ccc2c1
NC(=O)Cc1cnc2cc(OCc3ccc(F)cc3)ccc2c1
CCOC(=O)C(C)(C)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
CC(C)(CO)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
CC(C)(C(N)=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
NC(=O)Cc1cnc2cc(OCc3ccnc(c3)C(F)(F)F)ccc2c1
CC(C)(O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
NC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
CC(C)(O)c1cnc2cc(OCc3ccc(F)cc3)cnc2c1
CC(C)(O)c1c[n+]([O-])c2cc(OCc3ccc(F)cc3)ccc2c1
NC(=O)c1cnc2cc(OCc3cccc(F)c3)cnc2c1
NC(=O)c1cnc2cc(OCc3ccc(F)cc3)cnc2c1
NC(=O)c1cnc2cc(OCc3cccc(Cl)c3)cnc2c1
NC(=O)c1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1
NC(=O)c1cnc2cc(OCc3ccc(F)c(Cl)c3)cnc2c1
CNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)cnc2c1
OCc1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1
Fc1ccc(COc2cnc3cc(CC#N)cnc3c2)cc1F
CC(C)(F)c1cnc2cc(OCc3ccc(F)cc3)cnc2c1
CC(C)(O)c1cnc2cc(OCc3cccc(F)c3)cnc2c1
CC(C)(O)c1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1
CC(C)(O)c1cnc2cc(OCc3ccc(F)c(Cl)c3)cnc2c1
CC(C)(O)c1cnc2cc(OCc3cccc(Cl)c3)cnc2c1
NC(=O)Cc1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1
NC(=O)Cc1cnc2cc(OCc3cccc(n3)C(F)(F)F)cnc2c1
NC(=O)CC1Cc2ccc(OCc3cccc(Cl)c3)cc2NC1=O
NC(=O)Cc1cc2ccc(OCc3cccc(Cl)c3)cc2[nH]c1=O
N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(cc1)-c1ccccc1 |r|
N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(O)cc1 |r|
N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(O)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(Cl)cc(Cl)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(Cl)cc1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(Cl)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(cc1)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(CO)cc1 |r|
COc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(cc1)C#N |r|
N[C@H]1CC1c1ccc(nc1)-c1cccc(c1)C#N |r|
Cc1ccc(cc1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
Cc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(O)cc1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(O)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(cc1)C(N)=O |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(N)=O |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccccc1O |r|
COc1cc(ccc1C)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(F)c(O)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)cc(F)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)ccc1F |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(O)c1F |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)cc(Cl)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1F)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(Cl)s1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc2sccc2c1 |r|
Cc1cc(cnc1-c1cccc(Cl)c1)[C@H]1C[C@@H]1N |r|
Cc1cc(cnc1-c1cccc(c1)C(F)(F)F)[C@H]1C[C@@H]1N |r|
COc1cc(ccc1F)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
COc1cc(F)cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
COc1ccc(F)c(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
COc1cccc(c1F)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
COc1cc(Cl)cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
COc1ccc(Cl)c(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
COc1cc(cc(c1)C(F)(F)F)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
COc1cc(cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N)C#N |r|
Cc1ccc(cc1O)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)ccc1Cl |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)cc(c1)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(ccc1F)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(ccc1Cl)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CC(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
CS(=O)(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc2ccccc2s1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1csc2ccccc12 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(s1)C#N |r|
Cc1cscc1-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
COc1cc(cc(F)c1F)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)c(F)c(F)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc2cn[nH]c2c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc2c(c1)[nH]c1ccccc21 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc2CC(=O)Nc2c1 |r|
N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(O)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2ccccc2)c1 |r|
CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)c(O)c1 |r|
N[C@H]1C[C@@H]1c1ccc(cc1)-c1cc(O)cc(Cl)c1 |r|
N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccccc2)c1 |r|
CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
CS(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
CS(=O)(=O)Nc1ccccc1-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
COc1ccc(cc1-c1ccc(cn1)[C@H]1C[C@@H]1N)C#N |r|
CS(=O)(=O)Nc1ccccc1-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
COc1ccc(cc1-c1ccc(cc1)[C@H]1C[C@@H]1N)C#N |r|
COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
N[C@H]1C[C@@H]1c1ccc(nc1Cl)-c1cccc(c1)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(nc1-c1ccc(Cl)cc1)-c1cccc(c1)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(nc1-c1ccc(O)cc1)-c1cccc(c1)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(nc1-c1ccc(cc1)C(N)=O)-c1cccc(c1)C(F)(F)F |r|
Cc1nc(ccc1[C@H]1C[C@@H]1N)-c1cccc(c1)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(cc1)-c1cc(ccc1O)C#N |r|
CS(=O)(=O)Nc1ccc(O)c(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(ccc1O)C#N |r|
CS(=O)(=O)Nc1ccc(O)c(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
CS(=O)(=O)Nc1cc(Cl)cc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
CS(=O)(=O)Nc1cc(Cl)cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
CS(=O)(=O)Nc1cc(ccc1F)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
CS(=O)(=O)Nc1cc(ccc1F)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
CCS(=O)(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2cccc(c2)C#N)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(NS(=O)(=O)c2ccc(cc2)C#N)cc(c1)C(F)(F)F |r|
CNS(=O)(=O)c1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
COc1cc(ccc1[C@H]1C[C@@H]1N)-c1cccc(O)c1 |r|
N[C@H]1C[C@@H]1c1ccc(s1)-c1cccc(O)c1 |r|
N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(O)c1 |r|
N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r|
NC1CCC(CC1)NC1CC1c1ccccc1 |(6.09,2.69,;4.76,1.92,;4.76,.38,;3.43,-.39,;2.09,.38,;2.09,1.92,;3.43,2.7,;.76,-.39,;-.58,.38,;-1.35,1.72,;-2.12,.38,;-3.45,-.39,;-4.78,.38,;-6.12,-.39,;-6.12,-1.93,;-4.78,-2.7,;-3.45,-1.93,)|
NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |wU:10.12,wD:8.8,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:10.12,wD:8.8,(6.06,2.69,;4.73,1.93,;4.73,.38,;3.4,-.38,;2.06,.38,;2.06,1.93,;3.4,2.69,;.73,-.38,;-.6,.38,;-1.37,1.72,;-2.14,.38,;-3.48,-.38,;-4.81,.38,;-6.14,-.38,;-6.14,-1.93,;-4.81,-2.69,;-3.48,-1.93,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.17,4.84,;6.83,4.07,;6.83,2.53,;5.5,1.76,;4.17,2.53,;4.17,4.07,;5.5,4.84,;2.83,1.76,;1.5,2.53,;.73,3.87,;-.04,2.53,;-1.37,1.76,;-2.71,2.53,;-4.04,1.76,;-4.04,.22,;-2.71,-.55,;-1.37,.22,;-5.37,-.55,;-6.71,.22,;-8.04,-.55,;-8.04,-2.09,;-6.75,-2.94,;-5.37,-2.09,;-6.77,-4.48,;-6.79,-6.02,;-8.31,-4.46,;-5.23,-4.51,)|
OC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-2.67,,;-1.33,.77,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
NC(=O)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:12.14,wD:10.10,(8.88,3.85,;7.54,4.62,;7.54,6.16,;6.21,3.85,;6.21,2.31,;4.87,1.54,;3.54,2.31,;3.54,3.85,;4.87,4.62,;2.21,1.54,;.87,2.31,;.1,3.64,;-.67,2.31,;-2,1.54,;-3.33,2.31,;-4.67,1.54,;-4.67,,;-3.33,-.77,;-2,,;-6,-.77,;-7.34,,;-8.67,-.77,;-8.67,-2.31,;-7.34,-3.14,;-6,-2.31,;-7.34,-4.68,;-7.34,-6.22,;-8.88,-4.68,;-5.8,-4.68,)|
CC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:13.15,wD:11.11,(9.54,5.39,;8.21,4.62,;8.21,3.08,;6.87,5.39,;5.54,4.62,;5.54,3.08,;4.21,2.31,;2.87,3.08,;2.87,4.62,;4.21,5.39,;1.54,2.31,;.21,3.08,;-.56,4.41,;-1.33,3.08,;-2.67,2.31,;-4,3.08,;-5.33,2.31,;-5.33,.77,;-4,,;-2.67,.77,;-6.67,,;-8,.77,;-9.34,,;-9.34,-1.54,;-8,-2.37,;-6.67,-1.54,;-8,-3.91,;-8,-5.45,;-9.54,-3.91,;-6.46,-3.91,)|
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NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.17,4.84,;6.83,4.07,;6.83,2.53,;5.5,1.76,;4.17,2.53,;4.17,4.07,;5.5,4.84,;2.83,1.76,;1.5,2.53,;.73,3.87,;-.04,2.53,;-1.37,1.76,;-1.37,.22,;-2.71,-.55,;-4.04,.22,;-4.04,1.76,;-2.71,2.53,;-5.37,-.55,;-6.71,.22,;-8.04,-.55,;-8.04,-2.09,;-6.75,-2.94,;-5.37,-2.09,;-6.77,-4.48,;-6.79,-6.02,;-8.31,-4.46,;-5.23,-4.51,)|
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CC1(N)CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:11.13,wD:9.9,(6.21,1.64,;4.67,1.64,;5.44,2.98,;4.67,.1,;3.33,-.67,;2,.1,;2,1.64,;3.33,2.41,;.67,-.67,;-.67,.1,;-1.44,1.44,;-2.21,.1,;-3.54,-.67,;-3.54,-2.21,;-4.87,-2.98,;-6.21,-2.21,;-6.21,-.67,;-4.87,.1,)|
NCC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:11.13,wD:9.9,(6.77,1.93,;5.44,2.7,;4.1,1.93,;4.1,.39,;2.77,-.38,;1.44,.39,;1.44,1.93,;2.77,2.7,;.1,-.38,;-1.23,.39,;-2,1.72,;-2.77,.39,;-4.1,-.39,;-4.1,-1.93,;-5.44,-2.7,;-6.77,-1.93,;-6.77,-.39,;-5.44,.38,)|
NC1CCCC(C1)N[C@H]1C[C@@H]1c1ccccc1 |r|
NC1CC(C1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:8.10,wD:6.6,(5.71,2.47,;4.38,1.7,;3.98,.21,;2.49,.61,;2.89,2.1,;1.16,-.16,;-.17,.61,;-.94,1.94,;-1.71,.61,;-3.05,-.16,;-3.05,-1.7,;-4.38,-2.47,;-5.71,-1.7,;-5.71,-.16,;-4.38,.61,)|
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NC1CCC(CC1)N[C@@H]1C[C@@H]1c1ccccc1 |r,wU:10.12,8.8,(6.1,2.69,;4.77,1.93,;4.77,.39,;3.44,-.39,;2.1,.39,;2.1,1.93,;3.44,2.7,;.77,-.38,;-.56,.39,;-1.33,1.72,;-2.1,.39,;-3.44,-.39,;-3.44,-1.93,;-4.77,-2.7,;-6.1,-1.93,;-6.1,-.39,;-4.77,.38,)|
CNC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:11.13,wD:9.9,(6.77,1.92,;5.44,2.69,;4.1,1.93,;4.1,.39,;2.77,-.39,;1.44,.39,;1.44,1.93,;2.77,2.7,;.1,-.38,;-1.23,.39,;-2,1.72,;-2.77,.39,;-4.1,-.39,;-4.1,-1.93,;-5.44,-2.7,;-6.77,-1.93,;-6.77,-.39,;-5.44,.38,)|
CC(C)(C)OC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:17.19,wD:15.15,(8.77,2.69,;7.44,1.92,;7.44,.38,;8.77,1.15,;6.1,2.69,;4.77,1.92,;4.77,.38,;3.44,2.69,;2.1,1.93,;2.1,.39,;.77,-.39,;-.56,.39,;-.56,1.93,;.77,2.7,;-1.9,-.38,;-3.23,.39,;-4,1.72,;-4.77,.39,;-6.1,-.39,;-6.1,-1.93,;-7.44,-2.7,;-8.77,-1.93,;-8.77,-.39,;-7.44,.38,)|
CCNC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:15.17,wD:13.13,(8.77,2.69,;7.44,1.92,;6.1,2.69,;4.77,1.92,;4.77,.38,;3.44,2.69,;2.1,1.93,;2.1,.39,;.77,-.39,;-.56,.39,;-.56,1.93,;.77,2.7,;-1.9,-.38,;-3.23,.39,;-4,1.72,;-4.77,.39,;-6.1,-.39,;-6.1,-1.93,;-7.44,-2.7,;-8.77,-1.93,;-8.77,-.39,;-7.44,.38,)|
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NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(Br)cc1 |r,wU:10.12,wD:8.8,(6.77,2.69,;5.44,1.92,;5.44,.38,;4.1,-.39,;2.77,.38,;2.77,1.92,;4.1,2.69,;1.44,-.38,;.1,.38,;-.67,1.72,;-1.44,.38,;-2.77,-.38,;-4.1,.38,;-5.44,-.38,;-5.44,-1.93,;-6.77,-2.69,;-4.1,-2.69,;-2.77,-1.93,)|
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N[C@H]1CC[C@H](CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,4.7,1.0,wD:8.8,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-2.67,3.08,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
N[C@H]1CC[C@@H](CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,1.0,wD:8.8,4.7,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-2.67,3.08,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
N[C@H]1CC[C@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:8.8,4.7,1.0,wD:10.12,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-2.67,3.08,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:8.8,1.0,wD:10.12,4.7,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-2.67,3.08,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)C1CC1 |r,wU:10.12,wD:8.8,(7.54,3.36,;6.21,2.59,;6.21,1.05,;4.87,.28,;3.54,1.05,;3.54,2.59,;4.87,3.36,;2.21,.28,;.87,1.05,;.1,2.39,;-.67,1.05,;-2,.28,;-3.33,1.05,;-4.67,.28,;-4.67,-1.26,;-3.33,-2.03,;-2,-1.26,;-6,-2.03,;-7.54,-2.03,;-6.77,-3.36,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccnc1 |r,wU:10.12,wD:8.8,(8.11,3.85,;6.77,3.08,;6.77,1.54,;5.44,.77,;4.1,1.54,;4.1,3.08,;5.44,3.85,;2.77,.77,;1.44,1.54,;.67,2.87,;-.1,1.54,;-1.44,.77,;-1.44,-.77,;-2.77,-1.54,;-4.1,-.77,;-4.1,.77,;-2.77,1.54,;-5.44,-1.54,;-6.77,-.77,;-8.11,-1.54,;-8.11,-3.08,;-6.77,-3.85,;-5.44,-3.08,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc2cn[nH]c2c1 |r,wU:10.12,wD:8.8,(8.68,4.68,;7.34,3.91,;7.34,2.37,;6.01,1.6,;4.68,2.37,;4.68,3.91,;6.01,4.68,;3.34,1.6,;2.01,2.37,;1.24,3.71,;.47,2.37,;-.86,1.6,;-.86,.06,;-2.2,-.71,;-3.53,.06,;-3.53,1.6,;-2.2,2.37,;-4.87,-.71,;-6.2,.06,;-7.53,-.71,;-7.53,-2.25,;-8.68,-3.28,;-8.05,-4.68,;-6.52,-4.52,;-6.2,-3.02,;-4.87,-2.25,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccn[nH]1 |r,wU:10.12,wD:8.8,(7.96,3.7,;6.62,2.93,;6.62,1.39,;5.29,.62,;3.96,1.39,;3.96,2.93,;5.29,3.7,;2.62,.62,;1.29,1.39,;.52,2.73,;-.25,1.39,;-1.59,.62,;-1.59,-.92,;-2.92,-1.69,;-4.25,-.92,;-4.25,.62,;-2.92,1.39,;-5.59,-1.69,;-7.05,-1.21,;-7.96,-2.46,;-7.05,-3.7,;-5.59,-3.23,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(s1)-c1cccc(O)c1 |r,wU:10.12,wD:8.8,(6.65,5.12,;5.31,4.35,;5.31,2.81,;3.98,2.04,;2.64,2.81,;2.64,4.35,;3.98,5.12,;1.31,2.04,;-.02,2.81,;-.79,4.15,;-1.56,2.81,;-2.9,2.04,;-4.36,2.52,;-5.27,1.27,;-4.36,.03,;-2.9,.5,;-4.76,-1.46,;-6.25,-1.86,;-6.65,-3.35,;-5.56,-4.43,;-4.07,-4.04,;-2.98,-5.12,;-3.67,-2.55,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(O)c1 |r,wU:10.12,wD:8.8,(6.65,5.12,;5.31,4.35,;5.31,2.81,;3.98,2.04,;2.64,2.81,;2.64,4.35,;3.98,5.12,;1.31,2.04,;-.02,2.81,;-.79,4.15,;-1.56,2.81,;-2.9,2.04,;-4.36,2.52,;-5.27,1.27,;-4.36,.03,;-2.9,.5,;-4.76,-1.46,;-6.25,-1.86,;-6.65,-3.35,;-5.56,-4.43,;-4.07,-4.04,;-2.98,-5.12,;-3.67,-2.55,)|
COc1cc(cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1NC1CCC(N)CC1)[N+]#[C-] |r,wU:16.19,wD:14.15,(3.03,7.46,;1.69,8.23,;.36,7.46,;-.97,8.23,;-2.31,7.46,;-2.31,5.92,;-.97,5.15,;.36,5.92,;-.97,3.61,;.36,2.84,;.36,1.3,;-.97,.53,;-2.31,1.3,;-2.31,2.84,;-.97,-1.01,;-1.74,-2.34,;-.2,-2.34,;1.13,-3.11,;1.13,-4.65,;-.2,-5.42,;-.2,-6.96,;1.13,-7.73,;1.13,-9.27,;2.46,-6.96,;2.46,-5.42,;-3.64,8.23,;-4.98,9,)|
Cc1ccc(cc1O)-c1ccc(cn1)[C@H]1C[C@@H]1NC1CCC(N)CC1 |r,wU:14.15,wD:16.19,(-8.77,-3.08,;-7.44,-2.31,;-7.44,-.77,;-6.1,,;-4.77,-.77,;-4.77,-2.31,;-6.1,-3.08,;-6.1,-4.62,;-3.44,,;-3.44,1.54,;-2.1,2.31,;-.77,1.54,;-.77,,;-2.1,-.77,;.56,2.31,;1.33,3.64,;2.1,2.31,;3.44,1.54,;4.77,2.31,;6.1,1.54,;7.44,2.31,;7.44,3.85,;8.77,4.62,;6.1,4.62,;4.77,3.85,)|
COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cc1)[C@H]1C[C@@H]1NC1CCC(N)CC1 |r,wU:19.20,wD:21.24,(-2.03,-3.2,;-3.37,-3.95,;-4.7,-3.17,;-6.1,-3.85,;-7.44,-3.08,;-7.44,-1.54,;-8.77,-.77,;-10.11,-1.54,;-11.44,-2.31,;-11.44,-.77,;-10.11,-3.08,;-6.1,-.77,;-4.77,-1.54,;-3.44,-.77,;-2.1,-1.54,;-.77,-.77,;-.77,.77,;-2.1,1.54,;-3.44,.77,;.56,1.54,;1.33,2.87,;2.1,1.54,;3.44,.77,;4.77,1.54,;6.1,.77,;7.44,1.54,;7.44,3.08,;8.77,3.85,;6.1,3.85,;4.77,3.08,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r,wU:10.12,wD:8.8,(10.95,4.7,;9.61,3.93,;9.61,2.39,;8.28,1.62,;6.94,2.39,;6.94,3.93,;8.28,4.7,;5.61,1.62,;4.28,2.39,;3.51,3.73,;2.74,2.39,;1.4,1.62,;.16,2.53,;-1.09,1.62,;-.61,.16,;.93,.16,;-1.7,-.93,;-1.3,-2.42,;-2.39,-3.51,;-3.88,-3.11,;-4.28,-1.62,;-5.61,-.85,;-6.94,-1.62,;-7.71,-.29,;-6.17,-2.96,;-8.28,-2.39,;-8.28,-3.93,;-9.61,-4.7,;-10.95,-3.93,;-10.95,-2.39,;-9.61,-1.57,;-9.61,-.03,;-9.61,1.51,;-3.19,-.53,)|
NC1CCC(CC1)NC1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r,wU:10.12,(11.7,3.85,;10.36,3.08,;10.36,1.54,;9.03,.77,;7.69,1.54,;7.69,3.08,;9.03,3.85,;6.36,.77,;5.03,1.54,;4.26,2.87,;3.49,1.54,;2.15,.77,;2.15,-.77,;.82,-1.54,;-.51,-.77,;-.51,.77,;.82,1.54,;-1.85,-1.54,;-1.85,-3.08,;-3.18,-3.85,;-4.52,-3.08,;-4.52,-1.54,;-6.36,-.64,;-7.69,.13,;-6.92,1.47,;-8.46,1.47,;-9.03,-.64,;-9.03,-2.18,;-10.36,-2.95,;-11.7,-2.18,;-11.7,-.64,;-10.36,.13,;-10.36,1.67,;-10.36,3.21,;-3.18,-.77,)|
NC1CCC(CC1)NC1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccc(N)nc2)c1 |r,wU:10.12,(12.11,3.85,;10.77,3.08,;10.77,1.54,;9.44,.77,;8.11,1.54,;8.11,3.08,;9.44,3.85,;6.77,.77,;5.44,1.54,;4.67,2.87,;3.9,1.54,;2.56,.77,;2.56,-.77,;1.23,-1.54,;-.1,-.77,;-.1,.77,;1.23,1.54,;-1.44,-1.54,;-1.44,-3.08,;-2.77,-3.85,;-4.1,-3.08,;-4.1,-1.54,;-5.44,-.77,;-6.77,-1.54,;-7.54,-2.87,;-6,-2.87,;-8.11,-.77,;-8.11,.77,;-9.44,1.54,;-10.77,.77,;-12.11,1.54,;-10.77,-.77,;-9.44,-1.54,;-2.77,-.77,)|
NC1CCC(CC1)NC1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)N2CCNCC2)c1 |r,wU:10.12,(11.44,3.85,;10.11,3.08,;10.11,1.54,;8.77,.77,;7.44,1.54,;7.44,3.08,;8.77,3.85,;6.1,.77,;4.77,1.54,;4,2.87,;3.23,1.54,;1.9,.77,;1.9,-.77,;.56,-1.54,;-.77,-.77,;-.77,.77,;.56,1.54,;-2.1,-1.54,;-2.1,-3.08,;-3.44,-3.85,;-4.77,-3.08,;-4.77,-1.54,;-6.1,-.77,;-7.44,-1.54,;-8.21,-2.87,;-6.67,-2.87,;-8.77,-.77,;-8.77,.77,;-10.11,1.54,;-11.44,.77,;-11.44,-.77,;-10.11,-1.54,;-3.44,-.77,)|
NC1CCC(CC1)N[C@H]1C[C@]1(F)c1ccccc1 |r,wD:8.8,10.12,(6.1,2.69,;4.77,1.93,;4.77,.38,;3.44,-.38,;2.1,.38,;2.1,1.93,;3.44,2.69,;.77,-.38,;-.56,.38,;-1.33,1.72,;-2.1,.38,;-3.44,1.15,;-3.44,-.38,;-4.77,.38,;-6.1,-.38,;-6.1,-1.93,;-4.77,-2.69,;-3.44,-1.93,)|
NC1CCC(CC1)N[C@H]1C[C@@]1(F)c1ccccc1 |r,wU:10.12,wD:8.8,(6.1,2.69,;4.77,1.93,;4.77,.38,;3.44,-.38,;2.1,.38,;2.1,1.93,;3.44,2.69,;.77,-.38,;-.56,.38,;-1.33,1.72,;-2.1,.38,;-3.44,1.15,;-3.44,-.38,;-4.77,.38,;-6.1,-.38,;-6.1,-1.93,;-4.77,-2.69,;-3.44,-1.93,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2cccc(c2)N2CCNCC2)cc1 |r,wU:10.12,wD:8.8,(11.44,3.85,;10.11,3.08,;10.11,1.54,;8.77,.77,;7.44,1.54,;7.44,3.08,;8.77,3.85,;6.1,.77,;4.77,1.54,;4,2.87,;3.23,1.54,;1.9,.77,;1.9,-.77,;.56,-1.54,;-.77,-.77,;-2.1,-1.54,;-3.44,-.77,;-4.77,-1.54,;-4.77,-3.08,;-6.1,-3.85,;-7.44,-3.08,;-7.44,-1.54,;-6.1,-.77,;-8.77,-.77,;-10.11,-1.54,;-11.44,-.77,;-11.44,.77,;-10.11,1.54,;-8.77,.77,;-.77,.77,;.56,1.54,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2cccnc2)cc1 |r,wU:10.12,wD:8.8,(9.44,3.85,;8.11,3.08,;8.11,1.54,;6.77,.77,;5.44,1.54,;5.44,3.08,;6.77,3.85,;4.1,.77,;2.77,1.54,;2,2.87,;1.23,1.54,;-.1,.77,;-.1,-.77,;-1.44,-1.54,;-2.77,-.77,;-4.1,-1.54,;-5.44,-.77,;-6.77,-1.54,;-8.11,-.77,;-9.44,-1.54,;-9.44,-3.08,;-8.11,-3.85,;-6.77,-3.08,;-2.77,.77,;-1.44,1.54,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2ccccc2F)cc1 |r,wU:10.12,wD:8.8,(9.44,3.85,;8.11,3.08,;8.11,1.54,;6.77,.77,;5.44,1.54,;5.44,3.08,;6.77,3.85,;4.1,.77,;2.77,1.54,;2,2.87,;1.23,1.54,;-.1,.77,;-.1,-.77,;-1.44,-1.54,;-2.77,-.77,;-4.1,-1.54,;-5.44,-.77,;-6.77,-1.54,;-8.11,-.77,;-9.44,-1.54,;-9.44,-3.08,;-8.11,-3.85,;-6.77,-3.08,;-5.44,-3.85,;-2.77,.77,;-1.44,1.54,)|
Cc1cccc(CNc2ccc(cn2)[C@H]2C[C@@H]2NC2CCC(N)CC2)c1 |r,wU:14.14,wD:16.18,(-10.11,-.77,;-8.77,-1.54,;-8.77,-3.08,;-7.44,-3.85,;-6.1,-3.08,;-6.1,-1.54,;-4.77,-.77,;-3.44,-1.54,;-2.1,-.77,;-2.1,.77,;-.77,1.54,;.56,.77,;.56,-.77,;-.77,-1.54,;1.9,1.54,;2.67,2.87,;3.44,1.54,;4.77,.77,;6.1,1.54,;7.44,.77,;8.77,1.54,;8.77,3.08,;10.11,3.85,;7.44,3.85,;6.1,3.08,;-7.44,-.77,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(Nc2cccc(c2)C#N)nc1 |r,wU:10.12,wD:8.8,(8.77,2.31,;7.44,1.54,;7.44,,;6.1,-.77,;4.77,,;4.77,1.54,;6.1,2.31,;3.44,-.77,;2.1,,;1.33,1.33,;.56,,;-.77,-.77,;-2.1,,;-3.44,-.77,;-3.44,-2.31,;-4.77,-3.08,;-6.1,-2.31,;-7.44,-3.08,;-8.77,-2.31,;-8.77,-.77,;-7.44,.06,;-6.1,-.77,;-7.44,1.6,;-7.44,3.14,;-2.1,-3.08,;-.77,-2.31,)|
N[C@@H]1CC1c1ccccc1 |r|
Oc1ccc(cc1)C(=O)N\N=C\c1ccccc1O
C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
CN(C)S(=O)(=O)c1cccc(c1)C(=O)N\N=C(/C)c1cc(Cl)ccc1O
C\C(=N/NC(=O)c1cncc(c1)S(C)(=O)=O)c1cc(Cl)ccc1O
Cc1nnc(NC(=O)c2cc(C3CC3N)c(C)s2)s1
Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c(C)s2)s1
Cn1nc(cc1C1CC1NCC1CC1)C(=O)NC1CCC(F)(F)CC1
Cn1nc(cc1C1CC1N)C(=O)NC1CCC(F)(F)CC1
Cc1nnc(NC(=O)c2cc(C3CC3N)c3ccccc3c2)s1
Cc1nnc(NC(=O)c2cc(C3CC3NCC3CCOCC3)c3ccccc3c2)s1
Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Cc1sc(cc1C1CC1NCC1CCOCC1)C(=O)NC1CCC(F)(F)CC1
Cc1nnc(NC(=O)c2cc3CCOc3c(c2)C2CC2N)s1
Cc1nnc(NC(=O)c2cc3CCOc3c(c2)C2CC2NCC2CC2)s1
FC1(F)CCC(CC1)NC(=O)c1cc2CCOc2c(c1)C1CC1NCC1CC1
FC1(F)CCC(CC1)NC(=O)c1cc2CCOc2c(c1)C1CC1NCC1CCOCC1
Cc1ncc(cc1C1CC1N)C(=O)NC1CCC(F)(F)CC1
Cc1ncc(cc1C1CC1NCC1CC1)C(=O)NC1CCC(F)(F)CC1
Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1
Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2NCC2CCOCC2)s1
Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1
Cc1sc(cc1C1CC1NCC1CC1)C(=O)NC1CCC(F)(F)CC1
Cc1sc(cc1C1CC1NCC1CC1)C(=O)NC1CCOCC1
Cc1nnc(NC(=O)c2cc(C3CC3NCC3CCOCC3)c(C)s2)s1
Cc1sc(cc1C1CC1NC1CCOCC1)C(=O)NC1CCC(F)(F)CC1
Cc1sc(cc1C1CC1NC1CCC1)C(=O)Nc1cnn(C)c1
Cc1nnc(NC(=O)c2csc(c2)C2CC2NCC2CC2)s1
FC1(F)CCC(CC1)NC(=O)c1csc(c1)C1CC1NCC1CCOCC1
Cc1sc(cc1C1CC1N)C(=O)Nc1cnn(C)c1
Cc1nnc(NC(=O)c2cc(cs2)C2CC2NCC2CC2)s1
FC1(F)CCC(CC1)NC(=O)c1cc(cs1)C1CC1NCC1CC1
FC1(F)CCC(CC1)NC(=O)c1cc(cs1)C1CC1NC1CCOCC1
FC1(F)CCC(CC1)NC(=O)c1csc(c1)C1CC1NCC1CC1
FC1(F)CCC(CC1)NC(=O)c1csc(c1)C1CC1NC1CCOCC1
O=C(NC1CCOCC1)c1csc(c1)C1CC1NCC1CC1
Cc1nnc(NC(=O)c2csc(c2)C2CC2NC2CCC2)s1
Cn1cc(NC(=O)c2csc(c2)C2CC2NC2CCC2)cn1
FC1(F)CCC(CC1)NC(=O)c1nc(cs1)C1CC1NCC1CC1
FC1(F)CCC(CC1)NC(=O)c1ccc(s1)C1CC1NCC1CC1
Cc1nnc(NC(=O)c2ccc(s2)C2CC2NCC2CC2)s1
O=C(NC1CCCC1)c1csc(c1)C1CC1NC1CCOCC1
Cc1nnc(NC(=O)c2csc(c2)C2CC2NCC2CCOCC2)s1
O=C(NC1CCOCC1)c1csc(c1)C1CC1NC1CCC1
FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NC1CCOCC1 |r|
NC1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r,wU:10.12,wD:8.8,(10.25,-.24,;8.76,-.64,;8.36,-2.13,;6.87,-2.53,;5.78,-1.44,;6.18,.05,;7.67,.45,;4.3,-1.84,;3.21,-.75,;2.12,-1.84,;1.72,-.35,;.39,.42,;-1.08,-.05,;-1.98,1.19,;-1.08,2.44,;.39,1.96,;-3.52,1.19,;-4.29,2.53,;-4.29,-.14,;-5.83,-.14,;-6.6,1.19,;-8.14,1.19,;-8.91,-.14,;-10.25,.63,;-10.25,-.91,;-8.14,-1.48,;-6.6,-1.48,)|
FC1(F)CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCOCC1 |r|
Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1 |r|
Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1 |r|
Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1 |r|
FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1 |r|
FC(F)(F)CN1CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1 |r|
Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r|
Cc1nn(C)cc1NC(=O)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1 |r|
Cc1c(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)cnn1C |r|
O=C(NC1CC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1 |r|
Cc1nnc(NC(=O)c2cc(cs2)C2CC2NC2CCC2)s1
Cc1nnc(NC(=O)c2cc(cs2)C2CC2NCC2CCOCC2)s1
Cc1nnc(NC(=O)c2cc(cs2)C2CC2NC2CCN(CC2)C2CC2)s1
Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCN(CCC(O)=O)CC2)s1 |r|
Cn1cc(NC(=O)c2cc(cs2)C2CC2NC2CCC2)cn1
Cn1cc(NC(=O)c2cc(cs2)C2CC2NCC2CC2)cn1
O=C(NC1CCOCC1)c1cc(cs1)C1CC1NC1CCC1
O=C(NC1CCOCC1)c1cc(cs1)C1CC1NCC1CC1
Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NCC1CC1
Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NCC1CCOCC1
Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1
Cc1sc(cc1C(=O)NC1CCOCC1)C1CC1NCC1CC1
Cc1nnc(NC(=O)c2cc(sc2C)C2CC2NCC2CC2)s1
Cc1nnc(NC(=O)c2cc(sc2C)C2CC2NCC2CCOCC2)s1
O=C(NC1CCOCC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CC1 |r|
Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r|
O=C(NC1CCOCC1)c1cc(cs1)[C@H]1C[C@@H]1NC1CCC1 |r|
Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
O=C(NC1CCOCC1)c1cc(cs1)[C@H]1C[C@@H]1NCC1CC1 |r|
O=C(NC1CCOCC1)c1cc(cs1)[C@@H]1C[C@H]1NC1CCC1 |r|
O=C(NC1CCOCC1)c1cc(cs1)[C@@H]1C[C@H]1NCC1CC1 |r|
Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1 |r|
Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NC2CCN(CC2)C2CC2)s1 |r|
FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NC1CCN(CC1)C1CC1 |r|
Cc1cc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)no1 |r|
Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NCC2CC2)s1 |r|
Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CC2)s1 |r|
Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NC2CCC2)s1 |r|
Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NC2CCC2)s1 |r|
CCn1cc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)cn1 |r|
Cn1cc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NCC2CC2)cn1 |r|
Cn1cc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CC2)cn1 |r|
Cn1cc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NC2CCC2)cn1 |r|
Cn1cc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NC2CCC2)cn1 |r|
CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r|
FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NC1CCN(CC1)C(=O)C1CC1 |r|
Cc1sc(cc1[C@@H]1C[C@H]1NC1CCOCC1)C(=O)NC1CCC(F)(F)CC1 |r|
Cc1sc(cc1[C@H]1C[C@@H]1NC1CCOCC1)C(=O)NC1CCC(F)(F)CC1 |r|
Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CC3)c(C)s2)s1 |r|
Cc1nnc(NC(=O)c2cc([C@H]3C[C@@H]3NCC3CC3)c(C)s2)s1 |r|
Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CCOCC3)c(C)s2)s1 |r|
Cc1nnc(NC(=O)c2cc([C@H]3C[C@@H]3NCC3CCOCC3)c(C)s2)s1 |r|
Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NC3CCC3)c(C)s2)s1 |r|
Cc1nnc(NC(=O)c2cc([C@H]3C[C@@H]3NC3CCC3)c(C)s2)s1 |r|
OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3cc(cs3)C(=O)NC3CCC(F)(F)CC3)CC2)cc1 |r|
Cc1sc(cc1[C@@H]1C[C@H]1NCC1CC1)C(=O)Nc1cnn(C)c1 |r|
Cc1sc(cc1[C@H]1C[C@@H]1NCC1CC1)C(=O)Nc1cnn(C)c1 |r|
Cc1sc(cc1[C@@H]1C[C@H]1NC1CCC1)C(=O)Nc1cnn(C)c1 |r|
Cc1sc(cc1[C@H]1C[C@@H]1NC1CCC1)C(=O)Nc1cnn(C)c1 |r|
Cc1sc(cc1[C@@H]1C[C@H]1NCC1CC1)C(=O)NC1CCOCC1 |r|
Cc1sc(cc1[C@H]1C[C@@H]1NCC1CC1)C(=O)NC1CCOCC1 |r|
Cc1sc(cc1[C@@H]1C[C@H]1NC1CCC1)C(=O)NC1CCOCC1 |r|
Cc1sc(cc1[C@H]1C[C@@H]1NC1CCC1)C(=O)NC1CCOCC1 |r|
OC(=O)c1ccc(CN[C@@H]2C[C@H]2c2cc(cs2)C(=O)NC2CCC(F)(F)CC2)cc1 |r|
Nc1nnc(CN[C@@H]2C[C@H]2c2cc(cs2)C(=O)NC2CCC(F)(F)CC2)o1 |r|
O=C(NC1CCOCC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CCC1 |r|
Cc1sc(cc1[C@@H]1C[C@H]1NCC1CCC1)C(=O)Nc1cnn(C)c1 |r|
Cc1sc(cc1[C@@H]1C[C@H]1NCC1CCC1)C(=O)NC1CCOCC1 |r|
Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2N)s1 |r|
O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@@H]1NCC1CC1 |r|
Nc1ncc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)cn1 |r|
Nc1ncc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 |r|
Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)o1 |r|
Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccc(F)cc3)cc2)o1 |r|
Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cccc(F)c3)cc2)o1 |r|
Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cc(F)cc(F)c3)cc2)o1 |r|
Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccc(Cl)cc3)cc2)o1 |r|
Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cccc(Cl)c3)cc2)o1 |r|
Cc1sc(cc1[C@@H]1C[C@H]1NCC1CC1)C(=O)Nc1ccn(C)c1 |r|
CN1CCN(CC1)c1ccc(CCc2ccc(CC(=O)NN)cc2)cc1
NNC(=O)Cc1ccc(CCc2cccc(n2)N2CCNCC2)cc1
CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CC(=O)NN)cc2)nc1
NNC(=O)Cc1ccc(CCc2ccnc(c2)N2CCNCC2)cc1
CN(CC#C)Cc1ccccc1
COCCOc1cc(Cl)c(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c(Cl)c1
Clc1cccc(Cl)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1
Fc1cccc(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c1Cl
Fc1ccc(F)c(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c1Cl
OP(O)(=O)OCn1ccc(cc1=O)-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1
Cc1cccc(C)c1C(=O)NCc1ccc(cc1)C1CCNC(=O)C1
Cc1cc(CNC(=O)c2c(Cl)cccc2Cl)ccc1-c1cc[nH]c(=O)c1
Cn1ccc(cc1=O)-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1
Fc1cccc(F)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1
Fc1cccc(Cl)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1
Fc1cc(ccc1CNC(=O)c1c(Cl)cccc1Cl)-c1cc[nH]c(=O)c1
Fc1c[nH]c(=O)cc1-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1
CN(C)C(=O)Oc1ccc2CCC(N)c2c1
CCN(C)C(=O)Oc1ccc2CC[C@@H](N)c2c1 |r|
CCCN(C)C(=O)Oc1ccc2CCC(N)c2c1
CNC1CCc2ccc(OC(=O)N(C)C)cc12
CCN(C)C(=O)Oc1ccc2CCC(NC)c2c1
CCNC1CCc2ccc(OC(=O)N(C)C)cc12
CCCN(C)C(=O)Oc1cccc2CCC(N)c12
CN(C)C(=O)Oc1cccc2C(N)CCc12
CCN(C)C(=O)Oc1cccc2C(N)CCc12
CN(C)C(=O)Oc1ccc2CCC(NCC#C)c2c1
CCN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1 |r|
CCN(C)C(=O)Oc1ccc2CC[C@H](NCC#C)c2c1 |r|
CCCN(C)C(=O)Oc1ccc2CCC(NCC#C)c2c1
CCCCCCN(C)C(=O)Oc1ccc2CCC(NCC#C)c2c1
CN(C1CCCCC1)C(=O)Oc1ccc2CCC(NCC#C)c2c1
COc1ccc(cc1)N(C)C(=O)Oc1ccc2CCC(NCC#C)c2c1
CCCNC(=O)Oc1ccc2CCC(NCC#C)c2c1
CCCCN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1 |r|
CN(Cc1ccccc1)C(=O)Oc1ccc2CCC(NCC#C)c2c1
CN(C(=O)Oc1ccc2CCC(NCC#C)c2c1)c1ccccc1
CN(C)C(=O)Oc1ccc2CCC(N(C)CC#C)c2c1
CCN(C)C(=O)Oc1ccc2CC[C@@H](N(C)CC#C)c2c1 |r|
CCCN(C)C(=O)Oc1ccc2CCC(N(C)CC#C)c2c1
CCN(CC#C)C1CCc2ccc(OC(=O)N(C)C)cc12
CN(C)C(=O)Oc1cccc2CCC(NCC#C)c12
CCN(C)C(=O)Oc1cccc2CCC(NCC#C)c12
CN(C)C(=O)Oc1cccc2CCC(N(C)CC#C)c12
CCN(C)C(=O)Oc1cccc2CCC(N(C)CC#C)c12
CCCN(C)C(=O)Oc1cccc2CCC(N(C)CC#C)c12
CN(C)C(=O)Oc1cccc2C(CCc12)NCC#C
CCN(C)C(=O)Oc1cccc2C(CCc12)NCC#C
CCCN(C)C(=O)Oc1cc2C(CCc2cc1Cl)NCC#C
CN(C)C(=S)Oc1ccc2CCC(NCC#C)c2c1
CC(NC1CCc2ccc(OC(=O)N(C)C)cc12)C#C
CN(C)C(=O)Oc1ccc2CCCC(NCC#C)c2c1
CCN(C)C(=O)Oc1ccc2CCCC(NCC#C)c2c1
CN(C)C(=O)Oc1ccc2CCC(Cc2c1)NCC#C
CCN(C)C(=O)Oc1ccc2CCC(Cc2c1)NCC#C
CCN(C)C(=O)Oc1cccc2C(CCc12)N(C)CC#C
CN(C)C1CCc2ccc(OC(=O)N(C)C)cc12
CN(C)C1CCc2c1cccc2OC(=O)N(C)C
C#CCN[C@@H]1CCc2c1cc(cc2)O
Oc1ccc2CC[C@@H](NCC#C)c2c1 |r|
Oc1ccc2CC[C@H](NCC#C)c2c1 |r|
Oc1cccc2CCC(NCC#C)c12
Oc1cccc2C(CCc12)NCC#C
CN(CC#C)C1CCc2ccc(O)cc12
CN(CC#C)[C@@H]1CCc2ccc(O)cc12 |r|
CN(CC#C)[C@H]1CCc2ccc(O)cc12 |r|
CN(CC#C)C1CCc2cccc(O)c12
CN(CC#C)C1CCc2c1cccc2O
CN(C)C(=O)Oc1cccc(CCN)c1
CCN(C)C(=O)Oc1cccc(CCN)c1
CCCN(C)C(=O)Oc1cccc(CCN)c1
CNCCc1cccc(OC(=O)N(C)C)c1
CCN(C)C(=O)Oc1cccc(CCNC)c1
CN(C)CCc1cccc(OC(=O)N(C)C)c1
CN(C)C(=O)Oc1cccc(CCNCC#C)c1
CCN(C)C(=O)Oc1cccc(CCNCC#C)c1
CCCN(C)C(=O)Oc1cccc(CCNCC#C)c1
CN(CCc1cccc(OC(=O)N(C)C)c1)CC#C
CCN(C)C(=O)Oc1cccc(CCN(C)CC#C)c1
CC(Cc1cccc(OC(=O)N(C)C)c1)NCC#C
CCN(C)C(=O)Oc1cccc(CC(C)NCC#C)c1
CCCN(C)C(=O)Oc1cccc(CC(C)NCC#C)c1
CC(Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)NCC#C
CCCCN(C)C(=O)Oc1cccc(CC(C)NCC#C)c1
CC(Cc1cccc(OC(=O)N(C)C)c1)N(C)CC#C
CCN(C)C(=O)Oc1cccc(CC(C)N(C)CC#C)c1
CCCCCCN(C)C(=O)Oc1cccc(CC(C)N(C)CC#C)c1
CC(Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)N(C)CC#C
C[C@H](Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)N(C)CC#C |r|
C[C@@H](Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)N(C)CC#C |r|
CC(NCCc1cccc(OC(=O)N(C)C)c1)C#C
Oc1cccc(CCNCC#C)c1
CN(CCc1cccc(O)c1)CC#C
CC(Cc1cccc(O)c1)NCC#C
CC(Cc1cccc(O)c1)N(C)CC#C
C#CCN[C@@H]1CCc2c1cccc2
CCN(C)C(=O)Oc1cccc2[C@@H](CCc12)N(C)CC#C |r|
CCN(C)C(=O)Oc1cccc2[C@@H](CCc12)NCC#C |r|
Oc1cccc2[C@@H](CCc12)NCC#C |r|
CN[C@@H]1CCc2c1cccc2
CN[C@H]1CCc2ccccc12 |r|
N[C@@H]1CCc2ccccc12 |r|
c1ccc2c(c1)CC[C@@H]2N
C#CCN[C@H]1CCc2c1cccc2
CN(CC#C)[C@@H]1CCc2ccccc12 |r|
Cc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(N)=S |t:8|
Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccc(C)cc1 |c:10|
Cc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(N)=S |t:8|
NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(F)cc1 |c:4|
Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccc(F)cc1 |c:10|
NC(=S)N1N=C(CC1c1ccco1)c1ccc(F)cc1 |c:4|
NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1cccs1 |c:4|
Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1cccs1 |c:10|
NC(=S)N1N=C(CC1c1ccco1)c1cccs1 |c:4|
NC(=S)N1N=C(CC1c1cccs1)c1cccs1 |c:4|
Cc1ccc(cc1)C1=NN([C@@H](C1)c1ccc(Cl)cc1)C(N)=S |r,t:8|
Cc1ccc(cc1)C1=NN([C@H](C1)c1ccc(Cl)cc1)C(N)=S |r,t:8|
NC(=S)N1N=C(C[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 |r,c:4|
NC(=S)N1N=C(C[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 |r,c:4|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]
CC1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2C(=O)N(C)C1=O
C(\C=C\Cc1ccccc1)c1ccccc1
c1ccc2c(c1)C(=O)C(=O)N2
Clc1ccc(cc1Cl)C(=O)Nc1ccc2[nH]ccc2n1
Fc1ccc(cc1Cl)C(=O)Nc1ccc2[nH]ccc2n1
Fc1cc(ccc1Cl)C(=O)Nc1ccc2[nH]ccc2n1
Fc1ccc(cc1F)C(=O)Nc1ccc2[nH]ccc2n1
Fc1cc(ccc1Cl)C(=O)Nc1ccc2n(ccc2n1)C(=O)c1ccc(Cl)c(F)c1
Clc1ccc(cc1Cl)C(=O)Nc1cc2cc[nH]c2cn1
Fc1ccc(cc1Cl)C(=O)Nc1cc2cc[nH]c2cn1
Fc1ccc(cc1F)C(=O)Nc1cc2cc[nH]c2cn1
NC1CC1c1ccc(cc1)C(=O)Nc1ccccc1
NC1CC1c1ccc(cc1)C(=O)NCc1ccccc1
CN(C(=O)c1ccc(cc1)C1CC1N)c1ccccc1
NC1CC1c1ccc(cc1)C(=O)Nc1cccc(c1)C(F)(F)F
NC1CC1c1ccc(cc1)C(=O)Nc1cn[nH]c1
NC1CC1c1ccc(cc1)C(=O)NC1CCCCC1
NC1CC1c1ccc(cc1)C(=O)N1CCCCC1
O=C(Nc1ccccc1)c1ccc(cc1)C1CC1NCC1CC1
CN(Cc1ccccc1)C(=O)c1ccc(cc1)C1CC1N
CN(Cc1ccccc1)C(=O)c1ccc(cc1)C1CC1NCC1CC1
NC1CC1c1cccc(c1)C(=O)Nc1ccccc1
NC1CC1c1cccc(c1)C(=O)NCc1ccccc1
O=C(Nc1ccccc1)c1cccc(c1)C1CC1NCC1CC1
O=C(NCc1ccccc1)c1cccc(c1)C1CC1NCC1CC1
Cc1cnc(CNC(=O)c2ccc(cc2)C2CC2NCC2CC2)cn1
O=C(NCc1ccccn1)c1ccc(cc1)C1CC1NCC1CC1
O=C(NCc1ccncc1)c1ccc(cc1)C1CC1NCC1CC1
O=C(NCc1cccnc1)c1ccc(cc1)C1CC1NCC1CC1
O=C(NCCc1ccccn1)c1ccc(cc1)C1CC1NCC1CC1
O=C(N1Cc2cccnc2C1)c1ccc(cc1)C1CC1NCC1CC1
O=C(NCc1cccc(Oc2ccccc2)c1)c1ccc(cc1)C1CC1NCC1CC1
O=C(N(CC#N)Cc1ccccc1)c1ccc(cc1)C1CC1NCC1CC1
CN1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)C2CC2NCC2CC2)cc1
O=C(NCC(N1CCOCC1)c1ccccc1)c1ccc(cc1)C1CC1NCC1CC1
O=C(NCc1cccc(c1)C#N)c1ccc(cc1)C1CC1NCC1CC1
FC(F)(F)c1cccnc1CNC(=O)c1ccc(cc1)C1CC1NCC1CC1
O=C(NCc1ccc(cc1)N1CCCC1=O)c1ccc(cc1)C1CC1NCC1CC1
O=C(NCc1ccc(cc1)N1CCOCC1)c1ccc(cc1)C1CC1NCC1CC1
O=C(NCc1cccc(Oc2cnccn2)c1)c1ccc(cc1)C1CC1NCC1CC1
O=C(NCc1cccc2OCCOc12)c1ccc(cc1)C1CC1NCC1CC1
CC(C)(C)c1ccc(CNC2CC2c2ccc(cc2)C(=O)NCc2ccccc2)cc1
COc1ccccc1CNC1CC1c1ccc(cc1)C(=O)NCc1ccccc1
Cc1ccccc1CNC1CC1c1ccc(cc1)C(=O)NCc1ccccc1
Cc1ccc(CNC2CC2c2ccc(cc2)C(=O)NCc2ccccc2)cc1
COc1ccc(CNC2CC2c2ccc(cc2)C(=O)NCc2ccccc2)cc1
O=C(NCc1ccccc1)c1ccc(cc1)C1CC1NCc1ccc(cc1)C#N
COc1cccc(CNC2CC2c2ccc(cc2)C(=O)NCc2ccccc2)c1
FC(F)(F)c1ccc(CNC2CC2c2ccc(cc2)C(=O)NCc2ccccc2)cc1
Fc1ccccc1CNC1CC1c1ccc(cc1)C(=O)NCc1ccccc1
COc1ccc(F)c(CNC2CC2c2ccc(cc2)C(=O)NCc2ccccc2)c1
COc1cc(Cl)ccc1CNC1CC1c1ccc(cc1)C(=O)NCc1ccccc1
CN(C)c1ccccc1CNC1CC1c1ccc(cc1)C(=O)NCc1ccccc1
O=C(NCc1ccccc1)c1ccc(cc1)C1CC1NCc1cccc(c1)C#N
O=C(NCc1ccccc1)c1ccc(cc1)C1CC1NCc1ccc2OCC(=O)Nc2c1
O=C(NCc1ccccc1)c1ccc(cc1)C1CC1NCc1ccc(cc1)-c1cnccn1
O=C(NCc1ccccc1)c1ccc(cc1)C1CC1NCc1cccs1
Cc1ccsc1CNC1CC1c1ccc(cc1)C(=O)NCc1ccccc1
Cc1ccc(CNC2CC2c2ccc(cc2)C(=O)NCc2ccccc2)s1
Cc1csc(CNC2CC2c2ccc(cc2)C(=O)NCc2ccccc2)c1
NC1CC1c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1ncccn1
Cn1cc(NC(=O)c2ccc(cc2)C2CC2N)cn1
O=C(Nc1ccc(cc1)-c1ncccn1)c1ccc(cc1)C1CC1NCC1CC1
Cn1cc(NC(=O)c2ccc(cc2)C2CC2NCC2CC2)cn1
NC1CC1c1cccc(c1)C(=O)Nc1ccc(cc1)-c1ncccn1
Cn1cc(NC(=O)c2cccc(c2)C2CC2N)cn1
NC1CC1c1cccc(c1)C(=O)NC1CCCC1
O=C(Nc1ccc(cc1)-c1ncccn1)c1cccc(c1)C1CC1NCC1CC1
Cn1cc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)cn1
O=C(NC1CCCC1)c1cccc(c1)C1CC1NCC1CC1
O=C(N1CCCC1)c1cccc(c1)C1CC1NCC1CC1
FC(F)(F)c1cccc(NC(=O)c2ccc(cc2)C2CC2NC2CCS(=O)(=O)CC2)c1
NC1CC1c1cccc(c1)C(=O)Nc1cnn(CC2CC2)c1
Cc1nnc(NC(=O)c2cccc(c2)C2CC2N)s1
CC(C)(C)n1cc(NC(=O)c2cccc(c2)C2CC2N)cn1
NC1CC1c1cccc(c1)C(=O)NC1CCC(F)(F)CC1
NC1CC1c1cccc(c1)C(=O)NC1CCOCC1
CN(C(=O)c1cccc(c1)C1CC1N)c1ccccc1
NC1CC1c1cccc(c1)C(=O)Nc1cccc(c1)-c1ncccn1
NC1CC1c1cccc(c1)C(=O)Nc1ccc(cc1)N1CCCC1=O
NC1CC1c1cccc(c1)C(=O)Nc1cnn(c1)-c1ccc(F)cc1
NC1CC1c1cccc(c1)C(=O)Nc1ccc(F)cc1
CCn1cc(NC(=O)c2cccc(c2)C2CC2N)cn1
NC1CC1c1ccc(F)c(c1)C(=O)NC1CCCC1
COc1ccc(cc1C(=O)NC1CCCC1)C1CC1N
O=C(Nc1cnn(CC2CC2)c1)c1cccc(c1)C1CC1NCC1CC1
CC(C)(C)n1cc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)cn1
Cc1ncc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)s1
CN(C(=O)c1cccc(c1)C1CC1NCC1CC1)c1ccccc1
O=C(Nc1cccc(c1)-c1ncccn1)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1ccc(cc1)N1CCCC1=O)c1cccc(c1)C1CC1NCC1CC1
O=C(NC1CCCC1)c1cccc(c1)C1CC1NCC1CCOCC1
FC1(F)CCC(CC1)NC(=O)c1cccc(c1)C1CC1NCC1CCOCC1
CC(C)(C)CNC1CC1c1cccc(c1)C(=O)NC1CCS(=O)(=O)CC1
CCn1cc(NC(=O)c2cccc(c2)C2CC2NCC2CCOCC2)cn1
O=C(Nc1cnn(CC2CC2)c1)c1cccc(c1)C1CC1NCC1CCOCC1
CC(C)(C)CNC1CC1c1cccc(c1)C(=O)Nc1cnn(c1)C(C)(C)C
CC(C)(C)n1cc(NC(=O)c2cccc(c2)C2CC2NCC2CCOCC2)cn1
Cc1ncc(NC(=O)c2cccc(c2)C2CC2NCC2CCOCC2)s1
Cn1cc(NC(=O)c2cc(ccc2F)C2CC2NCC2CC2)cn1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NCC2CCOCC2)on1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NCC2CCOCC2)sn1
COc1ccc(cc1C(=O)Nc1cnn(C)c1)C1CC1NCC1CC1
Cc1nnc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)s1
FC1(F)CC(C1)NC(=O)c1cccc(c1)C1CC1NCC1CC1
O=C(NC1CCOCC1)c1cccc(c1)C1CC1NCC1CC1
CCn1cc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)cn1
FC1(F)CCC(CC1)NC(=O)c1cccc(c1)C1CC1NCC1CC1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)no1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)on1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)n(C)n1
FC(F)(F)CN1CCC(CC1)NC(=O)c1cccc(c1)C1CC1NCC1CC1
Cc1nnc(NC(=O)c2ccc(F)c(c2)C2CC2NCC2CC2)s1
Cc1nnc(NC(=O)c2cc(ccc2F)C2CC2NCC2CC2)s1
Fc1ccc(cc1C(=O)NC1CCOCC1)C1CC1NCC1CC1
Cc1nnc(NC(=O)c2cccc(c2)C2CC2NCC2CCOCC2)s1
O=C(N1Cc2ccccc2C1)c1cccc(c1)C1CC1NCC1CC1
CC(C)(C)NC(=O)c1cccc(c1)C1CC1NCC1CC1
FC1(F)CC(CNC(=O)c2cccc(c2)C2CC2NCC2CC2)C1
O=C(NC1CCCCNC1=O)c1cccc(c1)C1CC1NCC1CC1
O=C(NC1CCN(Cc2ccccc2)C1)c1cccc(c1)C1CC1NCC1CC1
O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(c1)C1CC1NCC1CC1
O=C(NCCc1ccccc1)c1cccc(c1)C1CC1NCC1CC1
Fc1ccccc1NC(=O)c1cccc(c1)C1CC1NCC1CC1
Fc1cccc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)c1
FC(F)(F)Oc1ccc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)cc1
CS(=O)(=O)c1ccc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)cc1
O=C(Nc1ccc(cc1)N1CCOCC1)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1ccc(cc1)-c1cn2CCSc2n1)c1cccc(c1)C1CC1NCC1CC1
COc1cc(OC)nc(n1)-c1ccc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)cc1
O=C(Nc1ccc(Cc2ccccc2)cc1)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1cccc(c1)-c1ccccc1)c1cccc(c1)C1CC1NCC1CC1
Cc1nc(cs1)-c1cccc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)c1
Cc1cc(C)nc(Sc2cccc(NC(=O)c3cccc(c3)C3CC3NCC3CC3)c2)n1
O=C(Nc1cccc(c1)-c1nnc2CCCCCn12)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1ccc(nc1)N1CCOCC1)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1cccc(c1)C1CC1NCC1CC1
Cn1nc(cc1NC(=O)c1cccc(c1)C1CC1NCC1CC1)-c1cccs1
Fc1ccc(Oc2ccc(NC(=O)c3cccc(c3)C3CC3NCC3CC3)cn2)cc1
O=C(Nc1nccs1)c1cccc(c1)C1CC1NCC1CC1
CCc1nsc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)n1
Cn1nc(cc1NC(=O)c1cccc(c1)C1CC1NCC1CC1)C(C)(C)C
Cc1noc(C)c1NC(=O)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1ccc2nccnc2c1)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1ccc2ncsc2c1)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1ccc2[nH]cnc2c1)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1ccc2[nH]ncc2c1)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1ccc2[nH]c(=O)sc2c1)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1ccc2n3CCCCCc3nc2c1)c1cccc(c1)C1CC1NCC1CC1
CCN1C(=O)COc2cc(NC(=O)c3cccc(c3)C3CC3NCC3CC3)ccc12
Oc1nc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)nc2CCCCc12
FC(F)(F)Cn1cc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)cn1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)sn1
CC(C)(C)CNC1CC1c1cccc(c1)C(=O)NC1CCOCC1
CC(C)(C)CNC1CC1c1cccc(c1)C(=O)NC1CC(F)(F)C1
Cn1cc(NC(=O)c2cccc(c2)C2CC2NCC(C)(C)C)cn1
Cc1c(NC(=O)c2cccc(c2)C2CC2NCC(C)(C)C)cnn1C
Cc1nn(C)cc1NC(=O)c1cccc(c1)C1CC1NCC(C)(C)C
Cc1nnc(NC(=O)c2cccc(c2)C2CC2NCC(C)(C)C)s1
COc1ccc(cc1C(=O)Nc1nnc(C)s1)C1CC1NCC1CC1
COc1ccc(cc1C(=O)NC1CCOCC1)C1CC1NCC1CC1
Cc1nnc(NC(=O)c2ccc(C)c(c2)C2CC2NCC2CC2)s1
COc1ccc(cc1C1CC1NCC1CC1)C(=O)Nc1nnc(C)s1
COc1cc(cc(c1)C(=O)Nc1nnc(C)s1)C1CC1NCC1CC1
Cc1nnc(NC(=O)c2cccc(c2)C2CC2NC2CCOCC2)s1
Cc1nnc(NC(=O)c2cccc(c2)C2CC2NC2CCC(F)(F)CC2)s1
O=C(NC1CCCC1)c1cccc(c1)C1CC1NC1CCOCC1
Cn1cc(NC(=O)c2cccc(c2)C2CC2NC2CCC2)cn1
Cn1cc(NC(=O)c2cccc(c2)C2CC2N(C2CCC2)C2CCC2)cn1
Cn1cc(NC(=O)c2cccc(c2)C2CC2NC2CCN(CC(F)(F)F)CC2)cn1
Cn1cc(NC(=O)c2cccc(c2)C2CC2NC2CCCC2)cn1
Cc1nnc(NC(=O)c2cccc(c2)C2CC2NC2CCC2)s1
Cc1nnc(NC(=O)c2cccc(c2)C2CC2NC2CCN(CC2)C2CC2)s1
FC1(F)CCC(CC1)NC(=O)c1cccc(c1)C1CC1NC1CCOCC1
FC1(F)CCC(CC1)NC1CC1c1cccc(c1)C(=O)NC1CCOCC1
O=C(NC1CCOCC1)c1cccc(c1)C1CC1NC1CCC1
Cc1cc(NC(=O)c2cccc(c2)C2CC2N)n(C)n1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NC2CCC2)n(C)n1
Cc1nnc(NC(=O)c2cc(ccc2F)C2CC2NC2CCC2)s1
Cc1nnc(NC(=O)c2ccc(C)c(c2)C2CC2NC2CCOCC2)s1
Cn1cc(NC(=O)c2cc(ccc2F)C2CC2NC2CCC(F)(F)CC2)cn1
O=C(Nc1cnn(CC2CC2)c1)c1cccc(c1)C1CC1NC1CCN(CC1)C1CC1
O=C(Nc1cnn(CC2CC2)c1)c1cccc(c1)C1CC1NC1CCOCC1
O=C(Nc1ccc(cc1)-c1ncccn1)c1cccc(c1)C1CC1NC1CCS(=O)(=O)CC1
CC(C)(C)n1cc(NC(=O)c2cccc(c2)C2CC2NC2CCOCC2)cn1
CC(C)(C)n1cc(NC(=O)c2cccc(c2)C2CC2NC2CCN(CC2)C2CC2)cn1
Fc1ccc(cc1)-n1cc(NC(=O)c2cccc(c2)C2CC2NC2CCOCC2)cn1
Fc1ccc(cc1)-n1cc(NC(=O)c2cccc(c2)C2CC2NC2CCS(=O)(=O)CC2)cn1
O=C(NC1CCCC1)c1cccc(c1)C1CC1NC1CCS(=O)(=O)CC1
O=C(NC1CCCC1)c1cccc(c1)C1CC1NC1CCN(CC1)C1CC1
CN1CCC(CC1)NC1CC1c1cccc(c1)C(=O)NC1CCCC1
O=C(Nc1cnn(CC2CC2)c1)c1cccc(c1)C1CC1NC1CCC1
CN1CCC(CC1)NC1CC1c1cccc(c1)C(=O)Nc1cnn(CC2CC2)c1
FC(F)(F)CN1CCC(CC1)NC1CC1c1cccc(c1)C(=O)Nc1cnn(CC2CC2)c1
FC1(F)CCC(CC1)NC1CC1c1cccc(c1)C(=O)Nc1cnn(CC2CC2)c1
Cn1cc(NC(=O)c2cccc(c2)C2CC2NC2CCC(F)(F)CC2)cn1
CC(=O)N1CCC(CC1)NC1CC1c1cccc(c1)C(=O)Nc1ccc(F)cc1
Fc1ccc(NC(=O)c2cccc(c2)C2CC2NC2CCOCC2)cc1
FC1(F)CCC(CC1)NC(=O)c1cccc(c1)C1CC1NC1CCN(CC1)C1CC1
CCn1cc(NC(=O)c2cccc(c2)C2CC2NC2CCC(F)(F)CC2)cn1
Cc1ncc(NC(=O)c2cccc(c2)C2CC2NC2CCC2)s1
Cc1ncc(NC(=O)c2cccc(c2)C2CC2NC2CCC(F)(F)CC2)s1
Cc1ncc(NC(=O)c2cccc(c2)C2CC2NC2CCOCC2)s1
Fc1ccc(cc1C(=O)NC1CCCC1)C1CC1NC1CCOCC1
COc1ccc(cc1C(=O)NC1CCCC1)C1CC1NC1CCOCC1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NC2CCC(F)(F)CC2)n(C)n1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NC2CCC(F)(F)CC2)on1
Fc1ccc(Cn2cc(NC(=O)c3cccc(c3)C3CC3NC3CCOCC3)cn2)cc1
CC(=O)N1CCC(CC1)NC1CC1c1cccc(c1)C(=O)Nc1cnn(Cc2ccc(F)cc2)c1
CC(=O)N1CCC(CC1)NC1CC1c1cccc(c1)C(=O)Nc1cnc(s1)-c1ccc(F)cc1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NC2CCOCC2)sn1
COc1ccc(cc1C(=O)Nc1nnc(C)s1)C1CC1NC1CCOCC1
COc1ccc(cc1C(=O)Nc1nnc(C)s1)C1CC1NC1CCC(F)(F)CC1
Cc1nnc(NC(=O)c2cc(ccc2F)C2CC2NC2CCC(F)(F)CC2)s1
Cc1nnc(NC(=O)c2ccc(F)c(c2)C2CC2NC2CCOCC2)s1
Cn1cc(NC(=O)c2cc(ccc2F)C2CC2NC2CCC2)cn1
COc1ccc(cc1C(=O)Nc1cnn(C)c1)C1CC1NC1CCC1
COc1ccc(cc1C(=O)Nc1cnn(C)c1)C1CC1NC1CCC(F)(F)CC1
Cn1cc(NC(=O)c2ccc(F)c(c2)C2CC2NC2CCC2)cn1
Fc1ccc(cc1C1CC1NCC1CC1)C(=O)NC1CCOCC1
Cc1ccc(cc1C1CC1NCC1CC1)C(=O)NC1CCOCC1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NCC2CCOCC2)no1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NC2CCC2)no1
FC1(F)CC(C1)NC(=O)c1cccc(c1)C1CC1NC1CCC(F)(F)CC1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NC2CCOCC2)on1
Cc1ccc(cc1C1CC1NCC1CC1)C(=O)Nc1cnn(C)c1
Cn1cc(NC(=O)c2ccc(F)c(c2)C2CC2NCC2CC2)cn1
Cc1ccc(cc1C1CC1NC1CCC1)C(=O)Nc1cnn(C)c1
Cc1ccc(cc1C1CC1NC1CCCC1)C(=O)Nc1cnn(C)c1
Fc1ccc(cc1C1CC1NCC1CC1)C(=O)NC1CC(F)(F)C1
Fc1ccc(cc1C(=O)NC1CC(F)(F)C1)C1CC1NCC1CC1
Cc1nn(C)cc1NC(=O)c1cccc(c1)C1CC1NC1CCC(F)(F)CC1
NC1CC1c1cccc(c1)C(=O)NC1CCN(CC(F)(F)F)CC1
Cc1nnc(NC(=O)c2cc(F)ccc2C2CC2NC2CCN(CC2)C2CC2)s1
COc1ccc2CCC(N[C@H]3CC3c3ccc(OCc4ccccc4)cc3)c2c1 |r|
COc1cc2CCC(N[C@H]3CC3c3ccc(OCc4ccccc4)cc3)c2cc1OC |r|
COc1ccc2C(CCc2c1OC)N[C@H]1CC1c1ccc(OCc2ccccc2)cc1 |r|
C1[C@H](NC2CCc3ccccc23)C1c1ccccc1 |r|
COc1ccc2CCC(N[C@H]3CC3c3ccccc3)c2c1 |r|
Clc1ccc2CCC(N[C@H]3CC3c3ccccc3)c2c1 |r|
FC(F)(F)c1ccc2CCC(N[C@H]3CC3c3ccccc3)c2c1 |r|
COc1ccc2CCCC(N[C@H]3CC3c3ccccc3)c2c1 |r|
COc1ccc2CCC(N[C@H]3CC3c3ccc(cc3)-c3cccc(Cl)c3)c2c1 |r|
COc1ccc2CCC(N[C@H]3CC3c3ccc(cc3)-c3ccc(Cl)cc3)c2c1 |r|
COc1ccc2CCC(N[C@H]3CC3c3ccc(cc3)-c3cccc(OC)c3)c2c1 |r|
C(CC1CCCCC1)N[C@H]1CC1c1ccccc1 |r|
C(CN[C@H]1CC1c1ccccc1)CC1CCCCC1 |r|
C(CC1CCCCCC1)N[C@H]1CC1c1ccccc1 |r|
Brc1cccc(COc2ccc(cc2)C2C[C@@H]2NCCC2CCCCC2)c1 |r|
COc1ccc2CCC(N[C@H]3CC3c3ccc(OCc4cccc(Br)c4)cc3)c2c1 |r|
Clc1ccc(cc1)-c1ccc(cc1)C1C[C@@H]1NCCC1CCCCC1 |r|
COc1ccc2CCCC(CCN[C@H]3CC3c3ccc(OCc4ccccc4)cc3)c2c1 |r|
NC(=O)CNC1CC1c1ccc(OCc2ccccc2)cc1
NC(=O)CNC1CC1c1ccc(OCc2ccc(F)cc2)cc1
CN1CCN(CC1)C(=O)CNC1CC1c1ccc(OCc2ccc(OCc3ccccc3)cc2)cc1
CN1CCN(CC1)C(=O)CNC1CC1c1ccc(cc1)C1CC1
C[C@H](Cc1ccccc1)N(C)CC#C |r|
C[N@](CCCOc1ccc(cc1Cl)Cl)CC#C
O=C(Nc1ccccc1)c1ccc[nH]1
O=C(NCc1ccccc1)c1ccc[nH]1
CN(Cc1ccccc1)C(=O)c1ccc[nH]1
O=C(NCCc1ccccc1)c1ccc[nH]1
CN(CCc1ccccc1)C(=O)c1ccc[nH]1
O=C(NCCCc1ccccc1)c1ccc[nH]1
CN(CCCc1ccccc1)C(=O)c1ccc[nH]1
O=C(NCCCCc1ccccc1)c1ccc[nH]1
CN(CCCCc1ccccc1)C(=O)c1ccc[nH]1
C(NCc1ccccc1)c1ccc[nH]1
CN(Cc1ccc[nH]1)Cc1ccccc1
Cn1cccc1CNCc1ccccc1
CN(Cc1cccn1C)Cc1ccccc1
C(Cc1ccccc1)NCc1ccc[nH]1
CN(CCc1ccccc1)Cc1ccc[nH]1
CN(CCCc1ccccc1)Cc1ccc[nH]1
CN(CCCCc1ccccc1)Cc1ccc[nH]1
CC(NC(=O)c1ccc[nH]1)c1ccccc1 |w:1.0|
CC(N(C)C(=O)c1ccc[nH]1)c1ccccc1 |w:1.0|
CC(N(C)Cc1ccc[nH]1)c1ccccc1 |w:1.0|
C[C@@H](NC(=O)c1ccc[nH]1)C1CCCCC1 |r|
C[C@H](NC(=O)c1ccc[nH]1)C1CCCCC1 |r|
C[C@H](C1CCCCC1)N(C)C(=O)c1ccc[nH]1 |r|
C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc[nH]1 |r|
C[C@H](C1CCCCC1)N(C)Cc1ccc[nH]1 |r|
O=C(NCC#C)c1ccc[nH]1
CN(CC#C)C(=O)c1ccc[nH]1
CN(CC#C)C(=O)c1cccn1C
C#CCNCc1ccc[nH]1
CN(CC#C)Cc1ccc[nH]1
CN(CC#C)Cc1cccn1C
Clc1ccc(cc1)C(=O)NCCN1CCOCC1
OC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2cccc(c2)C(F)(F)F)nc1 |r,wU:10.12,wD:8.8,(9.54,5.39,;8.21,4.62,;8.21,3.08,;6.87,2.31,;5.54,3.08,;5.54,4.62,;6.87,5.39,;4.21,2.31,;2.87,3.08,;2.1,4.41,;1.33,3.08,;,2.31,;-1.33,3.08,;-2.67,2.31,;-2.67,.77,;-4,,;-5.33,.77,;-6.67,,;-8,.77,;-9.34,,;-9.34,-1.54,;-8,-2.37,;-6.67,-1.54,;-8,-3.91,;-8,-5.45,;-9.54,-3.91,;-6.46,-3.91,;-1.33,,;,.77,)|
NC(=O)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2cccc(c2)C(F)(F)F)nc1 |r,wU:12.14,wD:10.10,(10.21,3.85,;8.88,4.62,;8.88,6.16,;7.54,3.85,;7.54,2.31,;6.21,1.54,;4.87,2.31,;4.87,3.85,;6.21,4.62,;3.54,1.54,;2.21,2.31,;1.44,3.64,;.67,2.31,;-.67,1.54,;-2,2.31,;-3.33,1.54,;-3.33,,;-4.67,-.77,;-6,,;-7.34,-.77,;-8.67,,;-10,-.77,;-10,-2.31,;-8.67,-3.14,;-7.34,-2.31,;-8.67,-4.68,;-8.67,-6.22,;-10.21,-4.68,;-7.13,-4.68,;-2,-.77,;-.67,,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc2cc[nH]c2c1 |r,wU:10.12,wD:8.8,(8.68,4.68,;7.34,3.91,;7.34,2.37,;6.01,1.6,;4.68,2.37,;4.68,3.91,;6.01,4.68,;3.34,1.6,;2.01,2.37,;1.24,3.71,;.47,2.37,;-.86,1.6,;-.86,.06,;-2.2,-.71,;-3.53,.06,;-3.53,1.6,;-2.2,2.37,;-4.87,-.71,;-6.2,.06,;-7.53,-.71,;-7.53,-2.25,;-8.68,-3.28,;-8.05,-4.68,;-6.52,-4.52,;-6.2,-3.02,;-4.87,-2.25,)|
COc1cc(cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1NC1CCC(N)CC1)C#N |r,wU:16.19,wD:14.15,(3.03,7.46,;1.69,8.23,;.36,7.46,;-.97,8.23,;-2.31,7.46,;-2.31,5.92,;-.97,5.15,;.36,5.92,;-.97,3.61,;-2.31,2.84,;-2.31,1.3,;-.97,.53,;.36,1.3,;.36,2.84,;-.97,-1.01,;-1.74,-2.34,;-.2,-2.34,;1.13,-3.11,;1.13,-4.65,;2.46,-5.42,;2.46,-6.96,;1.13,-7.73,;1.13,-9.27,;-.2,-6.96,;-.2,-5.42,;-3.64,8.23,;-4.98,9,)|
COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cc1)C1CC1N[C@H]1CC[C@H](N)CC1 |r,wU:23.25,wD:26.29,(-.56,4.29,;.77,3.52,;2.1,4.29,;2.1,5.83,;3.44,6.6,;4.77,5.83,;6.1,6.6,;6.1,8.14,;6.1,9.68,;4.56,8.14,;7.64,8.14,;4.77,4.29,;3.44,3.52,;3.44,1.98,;4.77,1.21,;4.77,-.33,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,-2.64,;2.67,-3.97,;4.21,-3.97,;5.54,-4.74,;5.54,-6.28,;6.87,-7.05,;6.87,-8.59,;5.54,-9.36,;5.54,-10.9,;4.21,-8.59,;4.21,-7.05,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)N2CCNCC2)c1 |r,wU:10.12,wD:8.8,(11.91,3.85,;10.57,3.08,;10.57,1.54,;9.24,.77,;7.91,1.54,;7.91,3.08,;9.24,3.85,;6.57,.77,;5.24,1.54,;4.47,2.87,;3.7,1.54,;2.36,.77,;2.36,-.77,;1.03,-1.54,;-.3,-.77,;-.3,.77,;1.03,1.54,;-1.64,-1.54,;-1.64,-3.08,;-2.97,-3.85,;-4.3,-3.08,;-4.3,-1.54,;-5.95,-.59,;-7.59,-1.54,;-8.54,-3.18,;-6.64,-3.18,;-9.24,-.59,;-10.57,-1.36,;-11.91,-.59,;-11.91,.95,;-10.57,1.72,;-9.24,.95,;-2.97,-.77,)|
Cc1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc(cc12)-c1ccccc1
C1c2ccccc2-c2nnc(cc12)-c1ccccc1
c1ccc(cc1)-c1cc2[nH]c3ccccc3c2nn1
O=C1c2ccccc2-c2nnc(COc3ccccc3)cc12
Fc1ccc(OCc2cc3C(=O)c4ccccc4-c3nn2)cc1
FC(F)(F)c1ccc(OCc2cc3C(=O)c4ccccc4-c3nn2)cc1
O=C1c2ccccc2-c2nnc(OCc3ccccc3)cc12
O=C1c2ccccc2-c2nncc(c12)-c1ccccc1
Clc1ccc(cc1)-c1cnnc2-c3ccccc3C(=O)c12
O=C1c2ccccc2-c2nn(-c3ccccc3)c(=O)cc12
Cc1ncc2-c3ccccc3C(=O)c2n1
O=C1c2ccccc2-c2cnc(nc12)-c1ccccc1
c1c2ccccc2c2c[nH]c(nc12)-c1ccccc1
[O-][N+](=O)c1cccc(c1)-c1ncc2-c3ccccc3C(=O)c2n1
O=C1c2ccccc2-c2nc(ncc12)-c1ccccc1
C1c2ccccc2-c2nc(ncc12)-c1ccccc1
O=C1c2ccccc2-c2ncnc(c12)-c1ccccc1
O=C1c2ccccc2-c2nc(nnc12)-c1ccccc1
Nc1cccc(c1)-c1nnc2C(=O)c3ccccc3-c2n1
[O-][N+](=O)c1cccc(c1)-c1nnc2C(=O)c3ccccc3-c2n1
[O-][N+](=O)c1cccc(c1)-c1nnc2-c3ccccc3C(=O)c2n1
c1ccc2c(c1)[nH]c1c2nnc2ccccc12
C1Cc2ccccc2-c2[nH]c3ccccc3c12
[H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r|
CNCC1=CC(=O)Oc2c1ccc(c2)OCc3cccc(c3)Cl
c1cc(cc(c1)Cl)COc2ccc3c(c2)OC(=O)C=C3C=O
Nc1ncc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)s1
Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)[C@@H]1C[C@H]1NCC1CC1
Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)[C@@H]1C[C@H]1NCC1CCOCC1
Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)[C@@H]1C[C@H]1NC1CCOCC1
Cc1sc(cc1C(=O)NC1CCOCC1)[C@@H]1C[C@H]1NCC1CC1
Cc1nnc(NC(=O)c2cc(sc2C)[C@@H]2C[C@H]2NCC2CC2)s1
Cc1nnc(NC(=O)c2cc(sc2C)[C@@H]2C[C@H]2NCC2CCOCC2)s1
C1[C@H](NC2CCNCC2)[C@H]1c1ccccc1 |r|
C1[C@@H](NC2CCNCC2)[C@@H]1c1ccccc1 |r|
C(Oc1ccc(cc1)[C@H]1C[C@@H]1NC1CCNCC1)c1ccccc1 |r|
C(N[C@H]1C[C@@H]1c1ccccc1)C1CCNCC1 |r|
C(CC1CCNCC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
FC(F)(F)c1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1NC1CCOCC1 |r|
C(CC1CCOCC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
Clc1ccc(cc1)-c1ccc(cc1)[C@H]1C[C@@H]1NCCC1CCOCC1 |r|
C1[C@H](NC2CCCNC2)[C@H]1c1ccccc1 |r|
C1[C@H](NC2CCNC2)[C@H]1c1ccccc1 |r|
C1[C@H](NC2CNC2)[C@H]1c1ccccc1 |r|
C1[C@H](NC2CC3CCC(C2)N3)[C@H]1c1ccccc1 |r,TLB:2:3:6.7:10|
C1[C@H](NC2CCC3(CCNCC3)CC2)[C@H]1c1ccccc1 |r|
C1[C@H](NC2CC3(C2)CCNCC3)[C@H]1c1ccccc1 |r|
C1[C@H](NC2CCNC3CCCCC23)[C@H]1c1ccccc1 |r|
C1[C@H](NC2CCNCC2)[C@H]1c1cccnc1 |r|
C1[C@H](NC2CCNCC2)[C@H]1c1cncs1 |r|
Cc1ccccc1C1CC1NC1CCNCC1
Fc1ccccc1C1CC1NC1CCNCC1
Fc1ccc(cc1F)C1CC1NC1CCNCC1
COc1ccc(cc1)C1CC1NC1CCNCC1
Oc1ccc(cc1)C1CC1NC1CCNCC1
C1C(NC2CCNCC2)C1c1ccc2ccccc2c1
CC1(CC1NC1CCNCC1)c1ccccc1
C(N[C@H]1C[C@@H]1c1ccccc1)C1CCNC1 |r|
Fc1ccccc1COc1ccc(cc1)[C@H]1C[C@@H]1NCC1CCNCC1 |r|
FC(F)(F)c1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1NCC1CCNCC1 |r|
COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cc1)[C@H]1C[C@@H]1NC1CCNCC1 |r|
CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1NC1CCNCC1 |r|
C(N[C@H]1C[C@@H]1c1ccccc1)C1CNC1 |r|
CS(=O)(=O)N1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
CC(=O)N1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(Br)cc1 |r|
NC(=O)N1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(Br)cc1 |r|
Brc1ccc(cc1)[C@H]1C[C@@H]1NC1CCOCC1 |r|
CC1(C)CC(CC(C)(C)N1)N[C@H]1C[C@@H]1c1ccccc1 |r|
CN1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
CC(C)N1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
FC(F)(F)CN1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
C1[C@H](NC2CCN(CC2)c2ccncc2)[C@H]1c1ccccc1 |r|
Brc1ccc(cc1)[C@H]1C[C@@H]1NC1CCS(=O)(=O)CC1 |r|
C(N[C@H]1C[C@@H]1c1ccc(cc1)C1CC1)C1CCNCC1 |r|
C(N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccnc1)C1CCNCC1 |r|
C(N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccn[nH]1)C1CCNCC1 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccccc2)c(-[#8])c1
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#6])cc2)c(-[#8])c1
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(Cl)cc2)c(-[#8])c1
COc1ccc(cc1)C(=O)\C=C\c1ccc(Cl)cc1
COc1ccc(cc1)C(=O)\C=C\c1ccc(OCc2ccccc2)cc1
COc1ccc(C(=O)\C=C\c2ccc(Cl)cc2)c(O)c1
O=C(\C=C\c1ccccc1)c1ccccc1
Oc1ccccc1C(=O)\C=C\c1ccc(Cl)cc1
Oc1ccc(cc1)C(=O)\C=C\c1ccc(Cl)cc1
Oc1ccc(C(=O)\C=C\c2ccc(Cl)cc2)c(O)c1
Oc1cc(F)ccc1C(=O)\C=C\c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)\C=C\c1ccc(OCc2ccccc2)cc1
CS(=O)(=O)c1ccc(cc1)C(=O)\C=C\c1ccc(Cl)cc1
CC(C)NNC(=O)c1ccncc1
[#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc2-[#8])cc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]-c3ccccc3)cc2)c(-[#8])c1
Clc1ccc(\C=C\C(=O)c2ccc(OCc3ccccc3)cc2)cc1
O=C(NC1CCCCC1)c1cc2ccccc2oc1=O
CC(C)NC(=O)c1cc2ccccc2oc1=O
CC(C)CNC(=O)c1cc2ccccc2oc1=O
O=C(NCC#C)c1cc2ccccc2oc1=O
NCCNC(=O)c1cc2ccccc2oc1=O
O=C(Nc1ccccc1)c1cc2ccccc2oc1=O
O=C(Nc1ccccc1Cc1ccccc1)c1cc2ccccc2oc1=O
Cc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
COc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
Fc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
FC(F)(F)c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
CCc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
CC(C)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
COc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
CSc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
Fc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
OC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
ClC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
CS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
Oc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
Cc1cccc(Cl)c1NC(=O)c1cc2ccccc2oc1=O
Cc1ccc(C)c(NC(=O)c2cc3ccccc3oc2=O)c1
Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)c(C)c1
Cc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1C
Cc1cccc(C)c1NC(=O)c1cc2ccccc2oc1=O
Fc1cccc(F)c1NC(=O)c1cc2ccccc2oc1=O
Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1C
COc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1OC
Cc1cc(C)cc(NC(=O)c2cc3ccccc3oc2=O)c1
COc1cc(NC(=O)c2cc3ccccc3oc2=O)cc(OC)c1
Fc1c(F)c(F)c(NC(=O)c2cc3ccccc3oc2=O)c(F)c1F
Fc1c(F)c(C#N)c(F)c(F)c1NC(=O)c1cc2ccccc2oc1=O
Fc1nc(F)c(F)c(NC(=O)c2cc3ccccc3oc2=O)c1F
O=C(NCc1ccccc1)c1cc2ccccc2oc1=O
O=C(NCCc1ccccc1)c1cc2ccccc2oc1=O
CN(C(=O)c1cc2ccccc2oc1=O)c1ccccc1
CN(Cc1ccccc1)C(=O)c1cc2ccccc2oc1=O
O=C(N(c1ccccc1)c1ccccc1)c1cc2ccccc2oc1=O
O=C(NC1CCCCC1)c1cc2ccc(OCc3ccccc3)cc2oc1=O
CC(C)NC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O
CC(C)CNC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O
CC(C)c1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc1
Fc1c(F)c(C#N)c(F)c(F)c1NC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O
O=C(Nc1ccccc1Cc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O
Cc1cccc(Cl)c1NC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O
COc1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc1OC
COc1cc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc(OC)c1
O=C(NCc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O
O=C(NNc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O
Fc1ccc(COc2ccc3cc(C(=O)Nc4c(F)c(F)c(C#N)c(F)c4F)c(=O)oc3c2)cc1
Fc1ccc(COc2ccc3cc(C(=O)Nc4ccccc4Cc4ccccc4)c(=O)oc3c2)cc1
Cc1cccc(Cl)c1NC(=O)c1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O
COc1ccc(NC(=O)c2cc3ccc(OCc4ccc(F)cc4)cc3oc2=O)cc1OC
COc1cc(NC(=O)c2cc3ccc(OCc4ccc(F)cc4)cc3oc2=O)cc(OC)c1
CC(C)c1ccc(NC(=O)c2cc3ccc(OCc4ccc(F)cc4)cc3oc2=O)cc1
CN(C(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O)c1ccccc1
COc1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)c(C)c3oc2=O)cc1OC
O=C(Oc1ccc2c3CCCCc3c(=O)oc2c1)c1ccccc1
CC(C)(C)OC(=O)NCCC(=O)Oc1ccc(cc1Cl)C(=O)Oc1ccc2c3CCCc3c(=O)oc2c1
CC(C)(C)OC(=O)NCCC(=O)Oc1ccc(cc1Cl)C(=O)Oc1ccc2c3CCCCc3c(=O)oc2c1
Clc1cc(ccc1OC(=O)CNC(=O)OCc1ccccc1)C(=O)Oc1ccc2c3CCCc3c(=O)oc2c1
CC(C)(C)OC(=O)NCC(=O)Oc1ccc(cc1Cl)C(=O)Oc1ccc2c3CCCc3c(=O)oc2c1
CN(CC#C)Cc1ccc(OC(=O)N(C)C)c2ncccc12
CN(CC#C)Cc1ccc(O)c2ncccc12
CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1 |c:4|
CC(=O)N1N=C(CC1c1ccccc1)c1ccc(O)cc1O |c:4|
CC(=O)N1N=C(CC1c1ccccc1)c1c(O)cccc1O |c:4|
CC(=O)N1N=C(CC1c1ccccc1C)c1ccccc1 |c:4|
CC(=O)N1N=C(CC1c1ccccc1C)c1c(O)cccc1O |c:4|
CC(=O)N1N=C(CC1c1cccc(C)c1)c1c(O)cccc1O |c:4|
CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1O |c:4|
CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(O)cccc1O |c:4|
COc1ccc(cc1)C1CC(=NN1C(C)=O)c1c(O)cccc1O |c:11|
COc1ccc(C2CC(=NN2C(C)=O)c2ccccc2)c(OC)c1 |c:8|
COc1ccc(C2CC(=NN2C(C)=O)c2ccccc2O)c(OC)c1 |c:8|
COc1ccc(C2CC(=NN2C(C)=O)c2ccc(O)cc2O)c(OC)c1 |c:8|
CC(=O)N1[C@@H](CC(=N1)c2ccccc2)c3ccc(c(c3)OC)OC
COc1ccc(cc1OC)C1CC(=NN1C(C)=O)c1ccccc1O |c:13|
C1CC(=NN1c1ccccc1)c1ccccc1 |c:2|
Clc1ccccc1C1=NN(CC1)c1ccccc1 |t:8|
Clc1ccc(cc1)C1=NN(CC1)c1ccccc1 |t:8|
Brc1ccc(cc1)C1=NN(CC1)c1ccccc1 |t:8|
Cc1cccc(c1)C1=NN(CC1)c1ccccc1 |t:8|
Cc1ccc(cc1)C1=NN(CC1)c1ccccc1 |t:8|
Oc1ccccc1C1=NN(CC1)c1ccccc1 |t:8|
Oc1ccc(cc1)C1=NN(CC1)c1ccccc1 |t:8|
COc1cccc(c1)C1=NN(CC1)c1ccccc1 |t:9|
COc1ccc(cc1)C1=NN(CC1)c1ccccc1 |t:9|
O=N(=O)c1ccc(cc1)C1=NN(CC1)c1ccccc1 |t:10|
COc1ccc(C2=NN(CC2)c2ccccc2)c(OC)c1 |t:6|
COc1ccc(cc1OC)C1=NN(CC1)c1ccccc1 |t:11|
CC(=O)N1CCC(=N1)c1ccccc1 |c:6|
CC(=O)N1CCC(=N1)c1ccc(C)cc1 |c:6|
CC(=O)N1CCC(=N1)c1ccc(Cl)cc1 |c:6|
CC(=O)N1CCC(=N1)c1ccc(Br)cc1 |c:6|
COc1ccc(cc1)C1=NN(CC1)C(C)=O |t:9|
COc1cccc(c1)C1=NN(CC1)C(C)=O |t:9|
COc1ccccc1C1=NN(CC1)C(C)=O |t:9|
COc1ccc(C2=NN(CC2)C(C)=O)c(OC)c1 |t:6|
COc1ccc(cc1OC)C1=NN(CC1)C(C)=O |t:11|
COc1ccc(OC)c(c1)C1=NN(CC1)C(C)=O |t:11|
CC(=O)N1CCC(=N1)c1ccccc1N(=O)=O |c:6|
CC(=O)N1CCC(=N1)c1ccc(O)cc1 |c:6|
CC(=O)N1CCC(=N1)c1ccc(O)cc1O |c:6|
CC(=O)N1CCC(=N1)c1ccc(O)c(O)c1O |c:6|
CC(=O)N1CCC(=N1)c1ccccc1O |c:6|
CCN(CC)CCC(=O)c1sc(NC)nc1C
CCN(CC)CCC(=O)c1sc(nc1C)-c1ccc(C)cc1
Cc1nc(sc1C(=O)CCN1CCCCC1)-c1ccccc1
Cc1nc(sc1C(=O)CCN1CCOCC1)-c1ccccc1
O=C(CN1CCCCC1)Nc1nc(cs1)-c1ccccc1
COc1ccc(cc1)-c1csc(NC(=O)CN2CCCCC2)n1
COc1ccc(cc1)-c1csc(NC(=O)CCN2CCCCC2)n1
Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Cc1cccc(c1C)[C@@H](C)c2cnc[nH]2
NC1=NC2(CO1)CCc1ccccc1C2 |t:1|
C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
N#Cc1ccc(Oc2ccccc2)cc1C#N
N#Cc1ccc(OCc2ccccc2)cc1C#N
N#Cc1ccc(OCCc2ccccc2)cc1C#N
N#Cc1ccc(OCCCc2ccccc2)cc1C#N
N#Cc1ccc(OC\C=C\c2ccccc2)cc1C#N
N#Cc1ccc(Oc2ccc3ccccc3c2)cc1C#N
Brc1ccc(Oc2ccc(C#N)c(c2)C#N)cc1
Brc1ccc(COc2ccc(C#N)c(c2)C#N)cc1
Brc1ccc(CCOc2ccc(C#N)c(c2)C#N)cc1
N#Cc1ccc(OCc2ccccc2)cc1
N#Cc1cccc(OCc2ccccc2)c1
N#Cc1ccc(OC\C=C\c2ccccc2)cc1
N#Cc1cccc(OC\C=C\c2ccccc2)c1
Brc1ccc(Oc2ccc(cc2)C#N)cc1
Brc1ccc(COc2cccc(c2)C#N)cc1
Brc1ccc(CCOc2ccc(cc2)C#N)cc1
N#Cc1ccc(OCCOc2ccccc2)cc1
C(Oc1ccccc1)c1ccccc1
C(Oc1ccccc1)\C=C\c1ccccc1
Brc1ccc(COc2ccccc2)cc1
Brc1ccc(CCOc2ccccc2)cc1
O=c1ccoc2cc(OCc3ccccc3)ccc12
O=c1ccoc2cc(OCCc3ccccc3)ccc12
O=c1ccoc2cc(OCCCc3ccccc3)ccc12
Clc1cccc(COc2ccc3c(c2)occc3=O)c1
Clc1ccc(COc2ccc3c(c2)occc3=O)cc1
Brc1cccc(COc2ccc3c(c2)occc3=O)c1
Brc1ccc(COc2ccc3c(c2)occc3=O)cc1
Fc1cccc(COc2ccc3c(c2)occc3=O)c1
Fc1ccc(COc2ccc3c(c2)occc3=O)cc1
Cc1cccc(COc2ccc3c(c2)occc3=O)c1
Cc1ccc(COc2ccc3c(c2)occc3=O)cc1
O=c1ccoc2cc(OCc3cccc(c3)C#N)ccc12
O=c1ccoc2cc(OCc3ccc(cc3)C#N)ccc12
FC(F)(F)c1ccc(COc2ccc3c(c2)occc3=O)cc1
Brc1ccc(CCOc2ccc3c(c2)occc3=O)cc1
CN(CC#C)Cc1ccc(CC(=O)NC2CC(C)(C)N([O-])C(C)(C)C2)cc1
C[n+]1ccc(CCc2ccccc2)cc1
C[n+]1ccc(Cc2ccccc2F)cc1
C[n+]1ccc(Cc2cccc3ccccc23)cc1
O=C(CN[C@H]1C[C@@H]1c1ccccc1)NC1CC1 |r|
NC(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
CC(N[C@H]1C[C@@H]1c1ccccc1)C(=O)NC1CC1 |r|
O=C(CN[C@H]1C[C@@H]1c1ccccc1)NCC#C |r|
CC(C)NC(=O)CN[C@H]1CC1c1ccccc1 |r|
CC(C)(C)NC(=O)CN[C@H]1CC1c1ccccc1 |r|
O=C(CN[C@H]1CC1c1ccccc1)N1CCOCC1 |r|
Fc1ccc(NC(=O)CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
CC(N[C@H]1C[C@@H]1c1ccccc1)C(N)=O |r|
COC(=O)C(C)N[C@H]1C[C@@H]1c1ccccc1 |r|
O=C(CN[C@H]1C[C@@H]1c1ccccc1)NCC1CCNCC1 |r|
CC(CN(C)C)NC(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
CN(C)CCNC(=O)CN[C@H]1CC1c1ccccc1 |r|
CN(C)[C@H]1CCN(C1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
CN(C)[C@@H]1CCN(C1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
N[C@H]1CCN(C1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
O=C(CN[C@H]1C[C@@H]1c1ccccc1)N[C@H]1CCNC1 |r|
CN(CC(=O)NC1CC1)[C@H]1C[C@@H]1c1ccccc1 |r|
CN(CC(N)=O)[C@H]1C[C@@H]1c1ccccc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
CCN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
O=C(CN[C@H]1C[C@@H]1c1ccccc1)N1CCN(Cc2ccccc2)CC1 |r|
O=C(CN[C@H]1C[C@@H]1c1ccccc1)N1CCN(CC1)c1ccccc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 |r|
O=C(CN[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)NC1CC1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2cccc(F)c2)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2cccc(Cl)c2)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2cccc(Br)c2)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(cc2)[N+]#[C-])cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCCc2ccccc2)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccccc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccnc1 |r|
COc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
COc1ccc(cc1)-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C#N |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(cc1)C#N |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O |r|
CN1CCN(CC1)C(=O)CN[C@H]1CC1c1ccc(cc1)-c1cc(Cl)cc(Cl)c1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)cc1F |r|
COc1ccc(cn1)-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccccc1F |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccccc1C(F)(F)F |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(F)c1 |r|
COc1cc(F)ccc1-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccncc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(Cl)c1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(Cl)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cc(F)ccc1C(F)(F)F |r|
COc1ncccc1-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(CCc2ccccc2)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)C1CC1 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1-[#6](=O)-[#6](=O)-c2ccccc2-[#6]-1=O
CC(C)C=C1C(=O)C(=O)c2ccccc2C1=O |w:3.2|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c2ccccc2c(-[#8])c1-[#7]=[#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7])-[#6]-c1ccccc1 |w:17.18|
NCCCN(CCCC=Nc1cc(O)c2ccccc2c1O)Cc1ccccc1 |w:9.9|
[#6]\[#6](-[#6])=[#6]\c1c(-[#8])c2ccccc2c(-[#8])c1-[#7]=[#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7])-[#6]-c1ccccc1 |w:16.17|
c1cn(cn1)-c1ccc2nc(ncc2c1)-c1ccccc1
Cc1nccn1-c1ccc2nc(ncc2c1)-c1ccccc1
Cc1cn(cn1)-c1ccc2nc(ncc2c1)-c1ccccc1
Cc1cncn1-c1ccc2nc(ncc2c1)-c1ccccc1
COc1ccc(cc1)-c1ncc2cc(ccc2n1)-n1cnc(C)c1
COc1ccccc1-c1ncc2cc(ccc2n1)-n1cnc(C)c1
Cc1cn(cn1)-c1ccc2nc(ncc2c1)-c1ccc2OCOc2c1
C1Oc2ccc(cc2O1)-c1ncc2cc(ccc2n1)-n1ccnc1
c1cn(cn1)-c1ccc2nc(ncc2c1)-c1ccc2occc2c1
C1COc2cc(ccc2O1)-c1ncc2cc(ccc2n1)-n1ccnc1
C1Oc2ccc(cc2O1)-c1ccc2cc(ccc2n1)-n1ccnc1
c1cn(cn1)-c1ccc2nc(ccc2c1)-c1ccccc1
COc1ccc(cc1)-c1ccc2cc(ccc2n1)-n1ccnc1
COc1ccccc1-c1ccc2cc(ccc2n1)-n1ccnc1
c1cn(cn1)-c1ccc2nc(ccc2c1)-c1ccoc1
Fc1ccc(cc1)-c1ccc2cc(ccc2n1)-n1ccnc1
CN(C)c1ccc(cc1)-c1ccc2cc(ccc2n1)-n1ccnc1
FC(F)(F)Oc1ccc(cc1)-c1ccc2cc(ccc2n1)-n1ccnc1
Cc1cc(OC(F)(F)F)ccc1-c1ccc2cc(ccc2n1)-n1ccnc1
CS(=O)(=O)c1ccc(cc1)-c1ccc2cc(ccc2n1)-n1ccnc1
[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
C1CN=C(N1)C1COc2ccccc2O1 |c:2|
NNCCc1ccccc1
NNCCc1ccc(NC(=O)CCCc2ccccc2)cc1
c1ccc(cc1)\N=N\c1ccccc1
CN(C)c1ccc(cc1)\N=N\c1ccccc1
CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CC1
CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1ccccc1
CC(C)(O)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Cn1cncc1C#Cc1ccc2c(c1)occ(-c1ccc(CNS(=O)=O)cc1)c2=O
COCC#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1(O)CCCCC1
CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1(N)CCCCC1
CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1ccccn1
OC1(CCCC1)C#Cc1ccc2c(c1)occ(-c1ccc(CNS(=O)=O)cc1)c2=O
CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1cncnc1
CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1cccnc1
COCC#Cc1ccc2c(c1)occ(-c1ccc(NS(=O)(=O)C3CC3)cc1)c2=O
CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1(O)CCCC1
CC(C)(C)OC(=O)N1CCC(CC1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
CC(C)(C)OC(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1cc[nH]c(=O)c1
CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CC1
CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CCNCC1
CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CCN(CC1)C(=O)C1CC1
Cc1ncc(C#Cc2ccc3c(c2)occ(-c2ccc(NS(C)(=O)=O)cc2)c3=O)n1C
CC(C)n1cncc1C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Cn1cnc(c1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CNC1
CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)OC1CCCC1
CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CCOCC1
CC(C)CN1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(CNS(=O)=O)cc1)c2=O
COCCC(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CC(F)(F)C1
CN(C)CCC(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)CO
CC1(O)CC(C1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O |(-6.69,8.43,;-5.89,7.12,;-5.08,8.43,;-6.98,6.03,;-5.89,4.94,;-4.8,6.03,;-5.89,3.4,;-7.22,2.63,;-4.55,2.63,;-4.15,1.14,;-2.67,1.54,;-3.07,3.03,;-1.33,.77,;;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;5.33,,;6.67,-.77,;6.67,-2.31,;8,-3.08,;8,-4.62,;9.34,-5.39,;10.67,-4.62,;12,-5.39,;13.34,-4.62,;14.67,-3.85,;12.57,-3.29,;14.11,-5.95,;10.67,-3.08,;9.34,-2.31,;5.33,-3.08,;5.33,-4.62,)|
CC(C)(O)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
CC1(COC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
CC(O)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
CN1CCC(CC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CC1(F)F
CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CCC1
CC1(CC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
CC(C)(C)OC(=O)NC1(CCC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
CC(C)(C)OC(=O)NC1(CC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
CN(C(=O)OC(C)(C)C)C1(CC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Oc1ccccc1C=NNC(=O)c1cc(Br)c(Br)[nH]1 |w:8.9|
Fc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:6.6|
[O-][N+](=O)c1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:8.8|
Oc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:6.6|
Clc1cccc(Cl)c1C=NNC(=O)c1cc(Br)c(Br)[nH]1 |w:9.10|
Oc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1O |w:6.6|
Clc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:6.6|
COc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1OC |w:7.7|
COc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:7.7|
Clc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)c(Cl)c1 |w:6.6|
Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccccc1O |w:11.11|
Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(F)cc1 |w:11.11|
Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(cc1)[N+]([O-])=O |w:11.11|
Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(O)cc1 |w:11.11|
Cn1c(Br)c(Br)cc1C(=O)NN=Cc1c(Cl)cccc1Cl |w:11.11|
Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(O)c(O)c1 |w:11.11|
Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(Cl)cc1 |w:11.11|
COc1ccc(C=NNC(=O)c2cc(Br)c(Br)n2C)cc1OC |w:7.7|
COc1ccc(C=NNC(=O)c2cc(Br)c(Br)n2C)cc1 |w:7.7|
Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(Cl)cc1Cl |w:11.11|
NC1CC1c1ccc(NC(=O)OCc2ccccc2)cc1
NC1CC1c1ccc(NC(=O)c2ccccc2)cc1
c1ccc(cc1)C2=CC(=O)c3ccccc3O2
Clc1ccccc1-c1cc(=O)c2ccccc2o1
c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Cl
Oc1ccccc1-c1cc(=O)c2ccccc2o1
c1ccc2c(c1)C(=O)C=C(O2)c3cccc(c3)O
Oc1ccc(cc1)-c1cc(=O)c2ccccc2o1
COc1ccccc1-c1cc(=O)c2ccccc2o1
COc1cccc(c1)-c1cc(=O)c2ccccc2o1
COc1ccc(cc1)C2=CC(=O)c3ccccc3O2
COc1ccc(cc1OC)-c1cc(=O)c2ccccc2o1
Cc1ccc(cc1)C2=CC(=O)c3ccccc3O2
c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)[N+](=O)[O-]
c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C#N
c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Br
O=c1cc(oc2ccccc12)-c1cccc2ccccc12
O=c1cc(oc2ccccc12)-c1ccc2ccccc2c1
O=c1cc(oc2ccccc12)-c1c2ccccc2cc2ccccc12
O=c1cc(oc2ccccc12)-c1cccs1
O=c1cc(oc2ccccc12)-c1cccnc1
O=C1NC(=O)c2cc(Sc3ccccc3)ccc12
O=C1NC(=O)c2cc(SCc3ccccc3)ccc12
O=C1NC(=O)c2cc(SCCc3ccccc3)ccc12
Clc1ccc(Sc2ccc3C(=O)NC(=O)c3c2)cc1
Brc1ccc(Sc2ccc3C(=O)NC(=O)c3c2)cc1
Fc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1
Clc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1
COc1ccc(cc1)C(=O)\C=C\c1ccccc1F
COc1ccc(cc1)C(=O)\C=C\c1cccc(F)c1
COc1ccc(cc1)C(=O)\C=C\c1ccc(F)cc1
COc1ccc(cc1)C(=O)\C=C\c1ccccc1C(F)(F)F
COc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)C(F)(F)F
Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(cc2)-c2ccccc2)cc1Cl
N[C@H]1C[C@@H]1c1ccccc1 |r|
COc1ccc(OC)c(\C=C\C(=O)c2c(O)cccc2OC)c1
COc1cc(\C=C\C(=O)c2c(O)cccc2OC)c(OC)cc1Br
COc1ccc(O)c(c1)C(=O)\C=C\c1cccc(OC)c1OC
COc1ccc(O)c(c1)C(=O)\C=C\c1cc(OC)c(Br)cc1OC
COc1ccc(OC)c(\C=C2/Oc3cccc(OC)c3C2=O)c1
COc1cccc2O\C(=C/c3cc(OC)c(Br)cc3OC)C(=O)c12
COc1ccc2O\C(=C/c3cccc(OC)c3OC)C(=O)c2c1
COc1ccc2O\C(=C/c3cc(OC)c(Br)cc3OC)C(=O)c2c1
[Cl-].Fc1ccc(C[NH2+][C@H]2CC2c2ccccc2)cc1 |r|
[Cl-].N#Cc1ccc(C[NH2+][C@H]2CC2c2ccccc2)cc1 |r|
[Cl-].FC(F)(F)c1ccc(C[NH2+][C@H]2CC2c2ccccc2)cc1 |r|
C(N[C@H]1CC1c1ccccc1)c1ccccn1 |r|
C(N[C@H]1CC1c1ccccc1)c1cccnc1 |r|
C(N[C@H]1CC1c1ccccc1)c1ccncc1 |r|
Cc1cccc(CN[C@H]2CC2c2ccccc2)n1 |r|
C(N[C@H]1CC1c1ccccc1)c1nccs1 |r|
[Cl-].Fc1cccc(C[NH2+][C@H]2CC2c2ccccc2)c1 |r|
Fc1ccccc1CN[C@H]1CC1c1ccccc1 |r|
COc1cccc(CN[C@H]2CC2c2ccccc2)c1 |r|
FC(F)(F)c1ccc(CN[C@H]2CC2c2ccccc2)cn1 |r|
Clc1ccc(CN[C@H]2CC2c2ccccc2)cn1 |r|
Cc1ccnc(CN[C@H]2CC2c2ccccc2)c1 |r|
COc1cccc(CN[C@H]2CC2c2ccccc2)n1 |r|
Brc1cccc(CN[C@H]2CC2c2ccccc2)n1 |r|
COc1ccc(CN[C@H]2CC2c2ccc(Oc3ccccc3)cc2)cc1 |r|
Fc1ccc(CN[C@H]2CC2c2ccc(Oc3ccccc3)cc2)cc1 |r|
C(N[C@H]1CC1c1ccccc1)c1ccc2ccccc2n1 |r|
FC(F)(F)c1ccc(CN[C@H]2CC2c2ccccc2)nc1 |r|
Fc1cccnc1CN[C@H]1CC1c1ccccc1 |r|
C(N[C@H]1CC1c1ccccc1)c1cnc2ccccc2c1 |r|
COc1ccc(CN[C@H]2CC2c2ccccc2)cn1 |r|
COc1cncc(CN[C@H]2CC2c2ccccc2)c1 |r|
COc1ncccc1CN[C@H]1CC1c1ccccc1 |r|
C(N[C@H]1CC1c1ccccc1)C1C=Nc2ccccc12 |r,c:14|
N#Cc1cccc(CN[C@H]2CC2c2ccccc2)c1 |r|
COc1ccccc1CN[C@H]1CC1c1ccccc1 |r|
Nc1ncccc1CN[C@H]1CC1c1ccccc1 |r|
Clc1ncccc1CN[C@H]1CC1c1ccccc1 |r|
COc1ccc(CN[C@H]2CC2c2ccccc2)cc1OC |r|
C(N[C@H]1CC1c1ccccc1)c1ccc2OCCc2c1 |r|
C(N[C@H]1CC1c1ccccc1)c1ccc2OCOc2c1 |r|
C(N[C@H]1CC1c1ccccc1)c1ccc2OCCOc2c1 |r|
COc1cc(F)c(CN[C@H]2CC2c2ccccc2)c(F)c1 |r|
COc1ccc(F)cc1CN[C@H]1CC1c1ccccc1 |r|
COc1ccc(CN[C@H]2CC2c2ccccc2)c(F)c1 |r|
COc1ccc(CN[C@H]2CC2c2ccccc2)c2ccccc12 |r|
COc1cccc(F)c1CN[C@H]1CC1c1ccccc1 |r|
COc1ccc2ccccc2c1CN[C@H]1CC1c1ccccc1 |r|
COc1ccc2c(OC)ccc(CN[C@H]3CC3c3ccccc3)c2c1 |r|
COc1ccc(CN[C@H]2CC2c2ccccc2)cc1C |r|
COc1ccc(CN[C@H]2CC2c2ccccc2)cc1Cl |r|
COc1ccc(CN[C@H]2CC2c2ccccc2)cc1F |r|
COc1ccc(CN[C@H]2CC2c2ccccc2)c(C)c1 |r|
C(N[C@H]1CC1c1ccccc1)c1cccc2OCCCOc12 |r|
C(N[C@H]1CC1c1ccccc1)c1ccc2OCCCOc2c1 |r|
CC1(C)CCc2cc(CN[C@H]3CC3c3ccccc3)ccc2O1 |r|
COc1ccc(CN[C@H]2CC2c2ccccc2)c(C)c1C |r|
COc1cc(C)c(CN[C@H]2CC2c2ccccc2)cc1C |r|
COc1ccc(CN[C@H]2CC2c2ccccc2)c(Cl)c1OC |r|
C(N[C@H]1CC1c1ccccc1)c1ccc2[nH]ccc2c1 |r|
C(N[C@H]1CC1c1ccc(OCc2ccccc2)cc1)c1ccccn1 |r|
COc1ccccc1CN[C@H]1CC1c1ccc(OCc2ccccc2)cc1 |r|
CC(N[C@H]1CC1c1ccccc1)c1ccc2OCCOc2c1 |r|
COc1ccc(CC(C)N[C@H]2CC2c2ccccc2)cc1OC |r|
Cc1noc(CN[C@H]2CC2c2ccccc2)n1 |r|
N[C@@H]1C[C@H]1c1ccccc1 |r|
CN(CC#C)Cc1cc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc2n1C
CN(CC#C)Cc1cc2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc2n1C
CN(CC#C)Cc1cc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2n1C
CN(CC#C)Cc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc2n1C
CN(CC#C)Cc1cc2cc(OCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
ClCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
ClCCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3CCN(CC3)Cc4ccccc4
c1ccc2c(c1)c(c3c(n2)CCCC3)N
Cc1cccc(Cl)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1
Cc1cccc(C)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1
Cc1cc(cc(=O)[nH]1)-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1
CN(CCc1ccc(O)c2ncccc12)CC#C
CN(CCCc1ccc(O)c2ncccc12)CC#C
COc1ccc(CN(C)CC#C)c2cccnc12
CCCCOc1cccc(CCNCC(=O)NC)c1
CCCCOc1cccc(CCNCC(=O)N(C)C)c1
CCCCOc1ccc(F)c(CCNCC(=O)N(C)C)c1F
CCCCOc1cc(CCNCC(=O)N(C)C)ccc1OC
CCCCOc1cccc(CCNC(C)C(=O)N(C)C)c1
C[C@H](NCc1ccc(OCc2ccccc2F)cc1)C(N)=O
O=C1CCCc2ccc(OCc3ccccc3)cc12
O=C1CCCc2ccc(OCCc3ccccc3)cc12
O=C1CCCc2ccc(OCCCc3ccccc3)cc12
Fc1cccc(COc2ccc3CCCC(=O)c3c2)c1
Fc1ccc(COc2ccc3CCCC(=O)c3c2)cc1
Clc1cccc(COc2ccc3CCCC(=O)c3c2)c1
Clc1ccc(COc2ccc3CCCC(=O)c3c2)cc1
Brc1cccc(COc2ccc3CCCC(=O)c3c2)c1
Brc1ccc(COc2ccc3CCCC(=O)c3c2)cc1
Ic1ccc(COc2ccc3CCCC(=O)c3c2)cc1
Cc1ccc(COc2ccc3CCCC(=O)c3c2)cc1
O=C1CCCc2ccc(OCc3cccc(c3)C#N)cc12
O=C1CCCc2ccc(OCc3ccc(cc3)C#N)cc12
FC(F)(F)c1cccc(COc2ccc3CCCC(=O)c3c2)c1
FC(F)(F)c1ccc(COc2ccc3CCCC(=O)c3c2)cc1
Oc1ccc2CCCC(=O)c2c1
O=C1\C(Cc2ccccc12)=C\c1cccnc1
COc1ccc2C(=O)\C(Cc2c1)=C\c1cccnc1
O=C1\C(Cc2ccccc12)=C\c1ccccn1
COc1ccc2C(=O)\C(Cc2c1)=C\c1ccccn1
Clc1ncccc1\C=C1/Cc2ccccc2C1=O
O=C1\C(Cc2ccccc12)=C\c1ccco1
COc1ccc2C(=O)\C(Cc2c1)=C\c1ccco1
O=C1\C(Cc2ccccc12)=C\c1cccs1
COc1ccc2C(=O)\C(Cc2c1)=C\c1cccs1
O=C1\C(Cc2ccccc12)=C\c1ccc[nH]1
O=C1\C(Cc2ccccc12)=C\c1ccsc1
O=C1\C(Cc2ccccc12)=C\C1CCCCC1
COc1ccc2C(=O)\C(Cc2c1)=C\C1CCCCC1
COc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(C)o1
COc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(Br)o1
COc1cccc(\C=C2/CCc3ccccc3C2=O)c1Cl
COc1ccc(\C=C2/CCc3ccccc3C2=O)c(Cl)c1OC
COc1cc(\C=C2/CCc3ccccc3C2=O)c(Br)c(OC)c1OC
COc1cccc(\C=C2/CC(C)c3ccccc3C2=O)c1Cl
COc1ccc(\C=C2/CC(C)c3ccccc3C2=O)c(Cl)c1OC
COc1cc(\C=C2/CC(C)c3ccccc3C2=O)c(Br)c(OC)c1OC
COc1cccc(\C=C2/CCc3c(O)cccc3C2=O)c1Cl
COc1ccc(\C=C2/CCc3c(O)cccc3C2=O)c(Cl)c1OC
COc1cc(\C=C2/CCc3c(O)cccc3C2=O)c(Br)c(OC)c1OC
COc1cccc(\C=C2/CCc3ccc(Cl)cc3C2=O)c1Cl
COc1ccc(\C=C2/CCc3ccc(Cl)cc3C2=O)c(Cl)c1OC
COc1cc(\C=C2/CCc3ccc(Cl)cc3C2=O)c(Br)c(OC)c1OC
COc1ccc2C(=O)\C(CCc2c1)=C\c1cccc(OC)c1Cl
COc1ccc2C(=O)\C(CCc2c1)=C\c1ccc(OC)c(OC)c1Cl
COc1ccc2C(=O)\C(CCc2c1)=C\c1cc(OC)c(OC)c(OC)c1Br
COc1cccc(\C=C2/CCc3c(OC)cccc3C2=O)c1Cl
COc1cccc2C(=O)\C(CCc12)=C\c1ccc(OC)c(OC)c1Cl
COc1cccc2C(=O)\C(CCc12)=C\c1cc(OC)c(OC)c(OC)c1Br
COc1cccc(\C=C2/CCc3cc(OC)c(OC)cc3C2=O)c1Cl
COc1cc2CC\C(=C/c3ccc(OC)c(OC)c3Cl)C(=O)c2cc1OC
COc1cc2CC\C(=C/c3cc(OC)c(OC)c(OC)c3Br)C(=O)c2cc1OC
COc1cccc(\C=C2/CCc3c(OC)ccc(OC)c3C2=O)c1Cl
COc1ccc(OC)c2C(=O)\C(CCc12)=C\c1ccc(OC)c(OC)c1Cl
COc1ccc(OC)c2C(=O)\C(CCc12)=C\c1cc(OC)c(OC)c(OC)c1Br
COc1cccc(\C=C2/CCc3ccc(Br)cc3C2=O)c1Cl
COc1ccc(\C=C2/CCc3ccc(Br)cc3C2=O)c(Cl)c1OC
COc1cc(\C=C2/CCc3ccc(Br)cc3C2=O)c(Br)c(OC)c1OC
COc1cccc(\C=C2/CCc3ccc(F)cc3C2=O)c1Cl
COc1ccc(\C=C2/CCc3ccc(F)cc3C2=O)c(Cl)c1OC
COc1cc(\C=C2/CCc3ccc(F)cc3C2=O)c(Br)c(OC)c1OC
COc1cccc(\C=C2/CCc3ccc(cc3C2=O)[N+]([O-])=O)c1Cl
COc1ccc(\C=C2/CCc3ccc(cc3C2=O)[N+]([O-])=O)c(Cl)c1OC
COc1cc(\C=C2/CCc3ccc(cc3C2=O)[N+]([O-])=O)c(Br)c(OC)c1OC
O=C(NCc1cn(Cc2ccc3oc(cc(=O)c3c2)-c2ccccc2)nn1)c1ccccc1
Cc1ccc(cc1)C(=O)NCc1cn(Cc2ccc3oc(cc(=O)c3c2)-c2ccccc2)nn1
Clc1ccc(cc1)C(=O)NCc1cn(Cc2ccc3oc(cc(=O)c3c2)-c2ccccc2)nn1
O=C(CCc1cn(Cc2ccc3oc(cc(=O)c3c2)-c2ccccc2)nn1)Nc1ccccc1
Cc1ccc(NC(=O)CCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccccc3)nn2)cc1
Fc1ccc(NC(=O)CCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccccc3)nn2)cc1
O=C(CCCCc1cn(Cc2ccc3oc(cc(=O)c3c2)-c2ccccc2)nn1)Nc1ccccc1
Cc1ccc(NC(=O)CCCCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccccc3)nn2)cc1
Fc1ccc(NC(=O)CCCCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccccc3)nn2)cc1
Clc1ccc(NCc2cnnn2Cc2ccc3oc(cc(=O)c3c2)-c2ccccc2)cc1
Cc1ccc(cc1)C(=O)NCc1cn(Cc2ccc3oc(cc(=O)c3c2)-c2ccc(Cl)cc2)nn1
Clc1ccc(cc1)C(=O)NCc1cn(Cc2ccc3oc(cc(=O)c3c2)-c2ccc(Cl)cc2)nn1
Clc1ccc(cc1)-c1cc(=O)c2cc(Cn3cc(CCC(=O)Nc4ccccc4)nn3)ccc2o1
Cc1ccc(NC(=O)CCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
Fc1ccc(NC(=O)CCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
Clc1ccc(cc1)-c1cc(=O)c2cc(Cn3cc(CCCCC(=O)Nc4ccccc4)nn3)ccc2o1
Cc1ccc(NC(=O)CCCCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
Fc1ccc(NC(=O)CCCCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
O=c1cc(oc2ccc(Cn3nncc3COc3ccccc3)cc12)-c1ccccc1
Fc1ccc(OCc2cnnn2Cc2ccc3oc(cc(=O)c3c2)-c2ccccc2)cc1
Clc1ccc(OCc2cnnn2Cc2ccc3oc(cc(=O)c3c2)-c2ccccc2)cc1
Oc1cccc(OCc2cnnn2Cc2ccc3oc(cc(=O)c3c2)-c2ccccc2)c1
O=c1cc(oc2ccc(Cn3nncc3COc3ccc(CNC4CC4)cc3)cc12)-c1ccccc1
O=c1cc(oc2ccc(Cn3nncc3CNc3ccccc3)cc12)-c1ccccc1
Cc1ccc(NCc2cnnn2Cc2ccc3oc(cc(=O)c3c2)-c2ccccc2)cc1
Fc1ccc(NCc2cnnn2Cc2ccc3oc(cc(=O)c3c2)-c2ccccc2)cc1
Clc1ccc(NCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccccc3)nn2)cc1
Clc1ccc(cc1)-c1cc(=O)c2cc(Cn3cc(CNc4ccccc4)nn3)ccc2o1
Cc1ccc(NCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
Fc1ccc(NCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
Clc1ccc(NCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
Clc1ccc(cc1)-c1cc(=O)c2cc(Cn3cc(COc4ccccc4)nn3)ccc2o1
Cc1ccc(OCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
Fc1ccc(OCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
Clc1ccc(OCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
Oc1cccc(OCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)c1
Clc1ccc(cc1)-c1cc(=O)c2cc(Cn3cc(COc4ccc(CNC5CC5)cc4)nn3)ccc2o1
CCCC(=O)\N=C1/S\C(=C/C(=O)OC)C(=O)N1c1ccccc1N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)CCC
CCCCC(=O)\N=C1/S\C(=C/C(=O)OC)C(=O)N1c1ccccc1N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)CCCC
CCCCCCCC(=O)\N=C1/S\C(=C/C(=O)OC)C(=O)N1c1ccccc1N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)CCCCCCC
COC(=O)\C=C1/S\C(=N/C(=O)c2ccccc2)N(C1=O)c1ccccc1N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)c1ccccc1
COC(=O)\C=C1/S\C(=N/C(=O)c2ccccc2Cl)N(C1=O)c1ccccc1N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)c1ccccc1Cl
COC(=O)\C=C1/S\C(=N/C(=O)c2ccc(cc2)[N+]([O-])=O)N(C1=O)c1ccccc1N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)c1ccc(cc1)[N+]([O-])=O
CCCCC(=O)\N=C1/S\C(=C/C(=O)OC)C(=O)N1c1ccc(cc1)N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)CCCC
COC(=O)\C=C1/S\C(=N/C(=O)c2ccccc2)N(C1=O)c1ccc(cc1)N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)c1ccccc1
COC(=O)\C=C1/S\C(=N/C(=O)c2ccccc2Cl)N(C1=O)c1ccc(cc1)N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)c1ccccc1Cl
COC(=O)\C=C1/S\C(=N/C(=O)c2ccc(Cl)cc2)N(C1=O)c1ccc(cc1)N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)c1ccc(Cl)cc1
CC(Cc1ccccc1)N(C)CC#C
CC(C)(C)NC(=O)c1ccc(OC\C(CN)=C/F)cc1
NC\C(COc1ccc(cc1)C(N)=O)=C\F
NC\C(COc1ccc(cc1)C(N)=O)=C/F
CN(C)C(=O)c1ccc(OC\C(CN)=C/F)c(F)c1
CN(C)C(=O)c1ccc(OC\C(CN)=C/F)c(Cl)c1
COc1cc(ccc1OCC(CN)=CF)C(=O)N(C)C |w:13.14|
CN(C)C(=O)c1ccc(SCC(CN)=CF)cc1 |w:14.14|
NC\C(COc1ccc(cc1)S(N)(=O)=O)=C\F
CN(C)S(=O)(=O)c1ccc(OC\C(CN)=C/F)cc1
NC\C(COc1ccc(cc1)S(N)(=O)=O)=C/F
CN(C)C(=O)c1ccc(OC\C(CN)=C\F)cc1
CN(C)S(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1
CN(C)S(=O)(=O)c1cccc(OC\C(CN)=C/F)c1
CN(C)C(=O)c1ccc(OC\C(CN)=C/F)cc1
CN(C)C(=O)c1ccc(OC\C(CN)=C/F)c(Br)c1
CC(C)(C)NC(=O)c1ccc(OC\C(CN)=C\F)cc1
CCN(CC)C(=O)c1ccc(OC\C(CN)=C\F)cc1
CNC(=O)c1ccc(OC\C(CN)=C\F)cc1
CN(C)C(=O)c1ccc(OC\C(CN)=C/F)cc1C
CNS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1
CNS(=O)(=O)c1ccc(OC\C(CN)=C/F)cc1
CCNS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1
CCNS(=O)(=O)c1ccc(OC\C(CN)=C/F)cc1
CC(C)NS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1
CC(C)NS(=O)(=O)c1ccc(OC\C(CN)=C/F)cc1
NC\C(CCc1ccc(F)cc1)=C\F
Cc1ncc(\C=C\c2cccc(O)c2)c2COC(C)(C)Oc12
Cc1ncc(\C=C\c2cccc(O)c2)c(CO)c1O
Cc1ncc(\C=C\c2ccc(O)cc2)c(CO)c1O
CN(C)Cc1ccc(\C=C\c2cnc(C)c(O)c2CO)cc1O
CCN(CC)Cc1ccc(\C=C\c2cnc(C)c(O)c2CO)cc1O
Cc1ncc(\C=C\c2ccc(CN3CCCC3)c(O)c2)c(CO)c1O
Cc1ncc(\C=C\c2ccc(CN3CCCCC3)c(O)c2)c(CO)c1O
Cc1ncc(\C=C\c2ccc(CN3CCOCC3)c(O)c2)c(CO)c1O
CN1CCN(Cc2ccc(\C=C\c3cnc(C)c(O)c3CO)cc2O)CC1
CCN1CCN(Cc2ccc(\C=C\c3cnc(C)c(O)c3CO)cc2O)CC1
CCN(CC)Cc1ccc(\C=C\c2cnc(C)c3OC(C)(C)OCc23)cc1O
Cc1ncc(\C=C\c2ccc(CN3CCCCC3)c(O)c2)c2COC(C)(C)Oc12
CN1CCN(Cc2ccc(\C=C\c3cnc(C)c4OC(C)(C)OCc34)cc2O)CC1
CN1CCN(Cc2cc(\C=C\c3cnc(C)c(O)c3CO)ccc2O)CC1
CN(CC(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
CC(Nc1cc(Cl)ccc1O)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1
C1CCN(C1)c1ccc2nc(oc2n1)-c1ccccc1
C1CCN(C1)c1ccc2nc(sc2n1)-c1ccccc1
Clc1ccccc1-c1nc2ccc(nc2o1)N1CCCC1
Clc1cccc(c1)-c1nc2ccc(nc2o1)N1CCCC1
Fc1ccc(cc1)-c1nc2ccc(nc2o1)N1CCCC1
C1CCN(CC1)c1ccc2nc(oc2n1)-c1ccccc1
C1CCN(CC1)c1ccc2nc(sc2n1)-c1ccccc1
Clc1ccccc1-c1nc2ccc(nc2o1)N1CCCCC1
Fc1cccc(c1)-c1nc2ccc(nc2o1)N1CCCCC1
Clc1cccc(c1)-c1nc2ccc(nc2o1)N1CCCCC1
Fc1ccc(cc1)-c1nc2ccc(nc2o1)N1CCCCC1
Brc1ccc(cc1)-c1nc2ccc(nc2o1)N1CCCCC1
COc1ccc(cc1)-c1nc2ccc(nc2o1)N1CCCCC1
C(Nc1ccc2nc(sc2n1)-c1ccccc1)c1ccccc1
CN(Cc1ccccc1)c1ccc2nc(oc2n1)-c1ccccc1
CN(Cc1ccccc1)c1ccc2nc(oc2n1)-c1cccc(Cl)c1
CN(Cc1ccccc1)c1ccc2nc(oc2n1)-c1ccc(Cl)cc1
CNc1ccc2nc(sc2n1)-c1ccccc1
CNc1ccc2nc(oc2n1)-c1cccc(F)c1
CNc1ccc2nc(oc2n1)-c1cccc(Cl)c1
CNc1ccc2nc(oc2n1)-c1ccc(Cl)cc1
C1CCC(CC1)Nc1ccc2nc(oc2n1)-c1ccccc1
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |wU:8.8,wD:10.12,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |wU:8.8,wD:10.12,(5.54,-10.9,;5.54,-9.36,;6.87,-8.59,;6.87,-7.05,;5.54,-6.28,;4.21,-7.05,;4.21,-8.59,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)|
[H][C@@]1(CC[C@H](N)CC1)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:9.9,wD:11.13,4.4,1.0,(-4.65,6.17,;-4.67,5.14,;-4.65,3.62,;-5.99,2.87,;-7.32,3.66,;-8.39,3.05,;-7.3,5.2,;-5.95,5.95,;-3.34,4.36,;-3.36,2.83,;-4.13,1.49,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r,wU:10.12,wD:8.8,(11.52,3.85,;10.18,3.08,;10.18,1.54,;8.85,.77,;7.52,1.54,;7.52,3.08,;8.85,3.85,;6.18,.77,;4.85,1.54,;4.08,2.87,;3.31,1.54,;1.98,.77,;.64,1.54,;-.69,.77,;-.69,-.77,;.64,-1.54,;1.98,-.77,;-2.03,-1.54,;-2.03,-3.08,;-3.36,-3.85,;-4.69,-3.08,;-4.69,-1.54,;-6.18,-.64,;-7.52,.13,;-6.75,1.47,;-8.29,1.47,;-8.85,-.64,;-8.85,-2.18,;-10.18,-2.95,;-11.52,-2.18,;-11.52,-.64,;-10.18,.13,;-10.18,1.67,;-10.18,3.21,;-3.36,-.77,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccc(N)nc2)c1 |r,wU:10.12,wD:8.8,(12.2,3.85,;10.87,3.08,;10.87,1.54,;9.54,.77,;8.2,1.54,;8.2,3.08,;9.54,3.85,;6.87,.77,;5.53,1.54,;4.76,2.87,;3.99,1.54,;2.66,.77,;1.33,1.54,;-.01,.77,;-.01,-.77,;1.33,-1.54,;2.66,-.77,;-1.34,-1.54,;-1.34,-3.08,;-2.67,-3.85,;-4.01,-3.08,;-4.01,-1.54,;-5.34,-.77,;-6.87,-1.64,;-6.1,-2.97,;-7.64,-2.97,;-8.2,-.87,;-8.2,.67,;-9.54,1.44,;-10.87,.67,;-12.2,1.44,;-10.87,-.87,;-9.54,-1.64,;-2.67,-.77,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)N2CCNCC2)c1 |r,wU:10.12,wD:8.8,(11.44,3.85,;10.11,3.08,;10.11,1.54,;8.77,.77,;7.44,1.54,;7.44,3.08,;8.77,3.85,;6.1,.77,;4.77,1.54,;4,2.87,;3.23,1.54,;1.9,.77,;.56,1.54,;-.77,.77,;-.77,-.77,;.56,-1.54,;1.9,-.77,;-2.1,-1.54,;-2.1,-3.08,;-3.44,-3.85,;-4.77,-3.08,;-4.77,-1.54,;-6.1,-.77,;-7.44,-1.54,;-6.67,-2.87,;-8.21,-2.87,;-8.77,-.77,;-8.77,.77,;-10.11,1.54,;-11.44,.77,;-11.44,-.77,;-10.11,-1.54,;-3.44,-.77,)|
C1C(NC2CCNCC2)[C@H]1c1ccccc1 |r|
C(Oc1ccc(cc1)[C@@H]1C[C@H]1NC1CCNCC1)c1ccccc1 |r|
O=C(NC1CCCC1)c1csc(c1)[C@H]1C[C@H]1NC1CCOCC1 |r|
O=C(NC1CCCC1)c1csc(c1)[C@@H]1C[C@@H]1NC1CCOCC1 |r|
O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NC1CCC1 |r|
O=C(NC1CCOCC1)c1csc(c1)[C@@H]1C[C@@H]1NC1CCC1 |r|
FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@H]1C[C@H]1NC1CCOCC1 |r|
NC1CCC(CC1)N[C@@H]1C[C@@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r,wD:8.8,10.12,(10.15,-.4,;8.66,-.8,;8.26,-2.29,;6.78,-2.69,;5.69,-1.6,;6.08,-.11,;7.57,.29,;4.2,-1.99,;3.11,-.91,;2.02,-1.99,;1.62,-.51,;.53,.58,;-.93,.11,;-1.84,1.35,;-.93,2.6,;.53,2.12,;-3.38,1.35,;-4.15,2.69,;-4.15,.02,;-5.69,.02,;-6.78,1.11,;-8.26,.71,;-8.66,-.78,;-10.15,-1.18,;-9.75,.31,;-7.57,-1.87,;-6.08,-1.47,)|
FC1(F)CCC(CC1)N[C@@H]1C[C@@H]1c1cc(cs1)C(=O)NC1CCOCC1 |r|
Cc1nnc(NC(=O)c2csc(c2)[C@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1 |r|
Cc1nnc(NC(=O)c2csc(c2)[C@H]2C[C@H]2NC2CCOCC2)s1 |r|
Cc1ncc(NC(=O)c2csc(c2)[C@H]2C[C@H]2NC2CCOCC2)s1 |r|
FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@H]1C[C@H]1NCC1CCOCC1 |r|
FC(F)(F)CN1CCC(CC1)NC(=O)c1csc(c1)[C@H]1C[C@H]1NCC1CCOCC1 |r|
Cc1ncc(NC(=O)c2csc(c2)[C@H]2C[C@H]2NCC2CCOCC2)s1 |r|
Cc1nn(C)cc1NC(=O)c1csc(c1)[C@H]1C[C@H]1NCC1CCOCC1 |r|
Cc1c(NC(=O)c2csc(c2)[C@H]2C[C@H]2NCC2CCOCC2)cnn1C |r|
Cc1nnc(NC(=O)c2csc(c2)[C@H]2C[C@H]2NCC2CCN(CCC(O)=O)CC2)s1 |r|
Cn1ccc(NC(=O)c2cc(cs2)C2CC2NC2CCC2)c1
O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1 |r|
FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@H]1C[C@H]1NC1CCN(CC1)C1CC1 |r|
Cc1cc(NC(=O)c2csc(c2)[C@H]2C[C@H]2NCC2CCOCC2)no1 |r|
CCn1cc(NC(=O)c2csc(c2)[C@H]2C[C@H]2NCC2CCOCC2)cn1 |r|
CC(=O)N1CCC(CC1)N[C@@H]1C[C@@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r|
FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@H]1C[C@H]1NC1CCN(CC1)C(=O)C1CC1 |r|
OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@@H]3c3cc(cs3)C(=O)NC3CCC(F)(F)CC3)CC2)cc1 |r|
O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CCC1 |r|
NC\C=C(/F)Cn1cc(-c2ccc(F)cc2)c2ccccc12
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccccc12
CN(C)S(=O)(=O)c1ccc(cc1)-c1c(C)n(C\C(F)=C\CN)c2ccccc12
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ncccc12
COC(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)S(=O)(=O)N(C)C)c2c1
CN(C)C(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)S(=O)(=O)N(C)C)c2c1
COC(=O)c1ccc2c(c(C)n(C\C(F)=C\CN)c2c1)-c1cccc(c1)S(=O)(=O)N(C)C
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)C(O)=O
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2cc(ccc12)C(O)=O
CN(C)C(=O)c1ccc2c(c(C)n(C\C(F)=C\CN)c2c1)-c1cccc(c1)S(=O)(=O)N(C)C
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2cc(ccc12)C(N)=O
CCOC(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)S(=O)(=O)N(C)C)c2c1
CN(C)S(=O)(=O)c1cccc(-c2c(C)n(C\C(F)=C\CN)c3ccc(cc23)C(O)=O)c1C |(3.65,-7.05,;4.74,-5.96,;6.23,-6.36,;4.34,-4.47,;5.83,-4.08,;4.74,-2.99,;2.86,-4.08,;1.77,-5.16,;.28,-4.77,;-.12,-3.28,;.97,-2.19,;.57,-.7,;1.48,.54,;3.02,.54,;.57,1.79,;.97,3.28,;2.46,3.68,;3.55,2.59,;2.86,5.16,;4.34,5.56,;4.74,7.05,;-.89,1.31,;-2.23,2.08,;-3.56,1.31,;-3.56,-.23,;-2.23,-1,;-.89,-.23,;-4.9,-1,;-6.23,-.23,;-4.9,-2.54,;2.46,-2.59,;3.55,-1.5,)|
Cc1c(-c2cccc(c2)S(C)(=O)=O)c2cc(ccc2n1C\C(F)=C\CN)C(O)=O
CCOC(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)C(=O)N(C)C)c2c1
CN(C)C(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)C(O)=O
CCOC(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)S(C)(=O)=O)c2c1
CNS(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)C(O)=O
CCOC(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cc(ccc3C)S(=O)(=O)N(C)C)c2c1 |(-7.56,-.23,;-6.23,-1,;-4.9,-.23,;-3.56,-1,;-3.56,-2.54,;-2.23,-.23,;-2.23,1.31,;-.89,2.08,;.44,1.31,;1.9,1.79,;2.3,3.28,;3.79,3.68,;4.88,2.59,;4.19,5.16,;5.68,5.56,;6.08,7.05,;2.81,.54,;4.35,.54,;1.9,-.7,;2.3,-2.19,;3.79,-2.59,;4.19,-4.08,;3.1,-5.16,;1.61,-4.77,;1.21,-3.28,;-.27,-2.88,;5.68,-4.47,;6.08,-2.99,;7.16,-4.08,;6.08,-5.96,;4.99,-7.05,;7.56,-6.36,;.44,-.23,;-.89,-1,)|
CN(C)S(=O)(=O)c1ccc(C)c(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)C(O)=O |(3.65,-7.05,;4.74,-5.96,;6.23,-6.36,;4.34,-4.47,;4.74,-2.99,;5.83,-4.08,;2.86,-4.08,;1.77,-5.16,;.28,-4.77,;-.12,-3.28,;-1.61,-2.88,;.97,-2.19,;2.46,-2.59,;.57,-.7,;1.48,.54,;3.02,.54,;.57,1.79,;.97,3.28,;2.46,3.68,;3.55,2.59,;2.86,5.16,;4.34,5.56,;4.74,7.05,;-.89,1.31,;-2.23,2.08,;-3.56,1.31,;-3.56,-.23,;-2.23,-1,;-.89,-.23,;-4.9,-1,;-6.23,-.23,;-4.9,-2.54,)|
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2cc(F)c(cc12)C(O)=O
CCOC(=O)c1cc2c(c(C)n(C\C(F)=C\CN)c2cc1F)-c1cccc(c1)S(=O)(=O)N(C)C
Cc1c(-c2ccc(F)cc2)c2cc(ccc2n1C\C(F)=C\CN)C(O)=O
CCOC(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3ccc(F)cc3)c2c1
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2cccnc12
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccncc12
CCOC(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(Cl)c3)c2c1
Cc1c(-c2cccc(Cl)c2)c2cc(ccc2n1C\C(F)=C\CN)C(O)=O
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)-c1nn[nH]n1
CCOC(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)C(C)(C)C)c2c1
Cc1c(-c2cccc(c2)C(C)(C)C)c2cc(ccc2n1C\C(F)=C\CN)C(O)=O
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2cnccc12
CCOC(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)S(=O)(=O)N(C)C
CN(C)S(=O)(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)C(O)=O)c2c1
CC(C)NC(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)S(=O)(=O)N(C)C)c2c1
CC(C)N(C)C(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)S(=O)(=O)N(C)C)c2c1
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(O)cc12
CN(c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)C(O)=O)S(C)(=O)=O
CN(C)C(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)N(C)S(C)(=O)=O)c2c1
CN(C)S(=O)(=O)c1cncc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)C(O)=O
CN(C)C(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cncc(c3)S(=O)(=O)N(C)C)c2c1
CCOC(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)S(=O)(=O)N(C)C)c2n1
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(nc12)C(O)=O
CN(C)C(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)S(=O)(=O)N(C)C)c2n1
CC(C)NC(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)S(=O)(=O)N(C)C)c2n1
CNC(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)S(=O)(=O)N(C)C)c2n1
CN(C)C(=O)c1cccc2c(c(C)n(C\C(F)=C\CN)c12)-c1cccc(c1)S(=O)(=O)N(C)C
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2c(cccc12)C(O)=O
COc1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)S(=O)(=O)N(C)C)c2c1
CN(C)C(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)S(C)(=O)=O)c2c1
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)C#N
CN(C)C(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)S(N)(=O)=O)c2c1
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)-c1ncon1
CN(C)C(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)C(F)(F)F)c2c1
CN(C)C(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)S(=O)(=O)C(F)(F)F)c2c1
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)S(=O)(=O)N(C)C
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)C(F)F
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(O)nc12
COc1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)S(=O)(=O)N(C)C)c2n1
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(Cl)cc12
CN(C)S(=O)(=O)c1cncc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccccc12
CN(C)S(=O)(=O)c1cncc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(Cl)cc12
Cc1c(-c2cncc(c2)S(C)(=O)=O)c2cc(Cl)ccc2n1C\C(F)=C\CN
CN(C)S(=O)(=O)c1cncc(c1)-c1cn(C\C(F)=C\CN)c2ccc(Cl)cc12
CN(C)S(=O)(=O)c1cncc(c1)-c1c(C)n(C\C(F)=C\CN)c2cc(Cl)ccc12
COc1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(SC)c3)c2n1
COc1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)S(C)(=O)=O)c2n1
CNS(=O)(=O)c1cncc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(Cl)cc12
CN(C)S(=O)(=O)c1cncc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(F)cc12
CN(C)S(=O)(=O)c1cncc(c1)-c1c(C)n(C\C(F)=C\CN)c2cc(Cl)cnc12
CN(C)S(=O)(=O)c1cncc(c1)-c1c(C)n(C\C(F)=C\CN)c2ncc(Cl)cc12
CN(C)S(=O)(=O)c1cncc(c1)-c1c(C)n(C\C(F)=C\CN)c2c(Cl)cccc12
CN(C)S(=O)(=O)c1cncc(c1)-c1c(C)n(C\C(F)=C\CN)c2cccc(Cl)c12
Cc1c(-c2ccncc2)c2cc(Cl)ccc2n1C\C(F)=C\CN
Cc1c(-c2cccnc2)c2cc(Cl)ccc2n1C\C(F)=C\CN
CN(C)S(=O)(=O)c1cccc(n1)-c1c(C)n(C\C(F)=C\CN)c2ccc(Cl)cc12
CN(C)S(=O)(=O)c1cncc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)C1CC1
Cc1c(-c2cncnc2)c2cc(Cl)ccc2n1C\C(F)=C\CN
CN(C)S(=O)(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3ccncc3)c2c1
CN(C)S(=O)(=O)c1ccc(C)c(c1)-c1c(C)n(C\C(F)=C\CN)c2c(F)cc(Cl)cc12 |(5.75,-4.06,;4.26,-3.66,;3.86,-2.17,;3.49,-4.99,;3.49,-6.53,;4.82,-5.76,;2,-4.59,;.91,-5.68,;-.57,-5.28,;-.97,-3.8,;-2.46,-3.4,;.12,-2.71,;1.6,-3.11,;-.28,-1.22,;.62,.03,;2.16,.03,;-.28,1.27,;.12,2.76,;1.6,3.16,;2.69,2.07,;2,4.65,;3.49,5.04,;3.89,6.53,;-1.75,.8,;-3.08,1.57,;-3.08,3.11,;-4.41,.8,;-4.41,-.74,;-5.75,-1.51,;-3.08,-1.51,;-1.75,-.74,)|
Cc1c(-c2cncc(c2)S(N)(=O)=O)c2cc(Cl)ccc2n1C\C(F)=C\CN
Cc1c(-c2ccncc2)c2cc(ccc2n1C\C(F)=C\CN)S(N)(=O)=O
CN(C)S(=O)(=O)c1cncc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(OC(F)(F)F)cc12
CN(C)S(=O)(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3ccccc3)c2c1
Cc1c(-c2ccccc2)c2cc(ccc2n1C\C(F)=C\CN)S(C)(=O)=O
Cc1c(-c2ccncc2)c2cc(ccc2n1C\C(F)=C\CN)S(C)(=O)=O
Cc1c(-c2cc(C)nc(C)c2)c2cc(ccc2n1C\C(F)=C\CN)S(C)(=O)=O
CN(C)C(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cc(C)nc(C)c3)c2c1
Cc1c(-c2ccncc2)c2cc(ccc2n1C\C(F)=C\CN)C(=O)NC(C)(C)C
Cc1c(-c2ccc3OCOc3c2)c2cc(ccc2n1C\C(F)=C\CN)S(C)(=O)=O
Cc1c(-c2ccc(F)cc2)c2cc(ccc2n1C\C(F)=C\CN)S(C)(=O)=O
Cc1c(-c2ccnc(C)c2)c2cc(ccc2n1C\C(F)=C\CN)S(C)(=O)=O
Cc1c(-c2ccc(F)cc2)c2cc(ccc2n1C\C(F)=C\CN)S(N)(=O)=O
CN(C)S(=O)(=O)c1cncc(c1)-c1c(Cl)n(C\C(F)=C\CN)c2ccccc12
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)S(C)(=O)=O
COc1cc(ccn1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)S(C)(=O)=O
CN(C)S(=O)(=O)c1cccc(c1)-c1c(Cl)n(C\C(F)=C\CN)c2cccnc12
CN(C)S(=O)(=O)c1cccc(c1)-c1c(Cl)n(C\C(F)=C\CN)c2ccc(cc12)S(C)(=O)=O
Cc1c(-c2cc(C)nc(C)c2)c2cc(ccc2n1C\C(F)=C\CN)[N+]([O-])=O
Cc1c(-c2cc(C)nc(C)c2)c2cc(NS(C)(=O)=O)ccc2n1C\C(F)=C\CN
COCc1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)S(=O)(=O)N(C)C)c2n1
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(NS(C)(=O)=O)cc12
CN(C)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)S(=O)(=O)N(C)C)c2n1
CC(C)S(=O)(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)S(=O)(=O)N(C)C)c2c1
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(C)nc12
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2cc(F)cnc12
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(F)nc12
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(nc12)C(F)(F)F
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(nc12)C(C)(F)F
Cc1c(-c2cccc(c2)S(C)(=O)=O)c2nc(C)ccc2n1C\C(F)=C\CN
CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(cc23)C(O)=O)cc1
COC(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(Cc3ccc(cc3)S(=O)(=O)N(C)C)c2c1
CN(C)C(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(Cc3ccc(cc3)S(=O)(=O)N(C)C)c2c1
CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(cc23)C(N)=O)cc1
CN(C)C(=O)c1c(Cc2ccc(cc2)S(=O)(=O)N(C)C)c2ccccc2n1C\C(F)=C\CN
CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(cc23)S(=O)(=O)N(C)C)cc1
CN(C)S(=O)(=O)c1cccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(cc23)S(=O)(=O)N(C)C)c1
CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3cccnc23)cc1
CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(C)nc23)cc1
Cc1c(Cc2ccc(cc2)S(C)(=O)=O)c2ncccc2n1C\C(F)=C\CN
CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3cc(C)cnc23)cc1
Cc1c(Cc2ccc(cc2)S(C)(=O)=O)c2nc(C)ccc2n1C\C(F)=C\CN
Cc1c(Cc2ccc(nc2)S(C)(=O)=O)c2nc(C)ccc2n1C\C(F)=C\CN
Cc1c(Cc2ccc(cn2)S(C)(=O)=O)c2nc(C)ccc2n1C\C(F)=C\CN
CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(C)nc23)nc1
CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(C)nc23)cn1
Cc1c(Cc2cccc(c2)S(C)(=O)=O)c2nc(C)ccc2n1C\C(F)=C\CN
CN(C)S(=O)(=O)c1cccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(C)nc23)c1
CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3cc(C)c(O)nc23)cc1
Cc1c(Cc2ccc(cc2Cl)S(C)(=O)=O)c2ncccc2n1C\C(F)=C\CN
C\C=C(/F)Cn1c(C)c(Oc2ccc(cc2)S(=O)(=O)N(C)C)c2ccccc12
CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(F)nc23)cc1
CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3cc(F)cnc23)cc1
CC(C)(O)c1c(Cc2ccc(cc2)S(C)(=O)=O)c2ncccc2n1C\C(F)=C\CN
CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccccc23)cc1
Cc1c(Cc2ccc(nc2)S(C)(=O)=O)c2nc(ccc2n1C\C(F)=C\CN)C1CC1
CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(nc23)C(C)(C)O)cc1
CC(O)c1c(Cc2ccc(cc2)S(=O)(=O)N(C)C)c2ncccc2n1C\C(F)=C\CN
Cc1c(Cc2ccc(nc2)S(C)(=O)=O)c2nc(ccc2n1C\C(F)=C\CN)C(C)(F)F
Cc1c(Cc2ccc(nc2)S(C)(=O)=O)c2nc(ccc2n1C\C(F)=C\CN)C(F)(F)F
CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccncc23)cc1
CC(C)c1c(Cc2ccc(cc2)S(C)(=O)=O)c2ncccc2n1C\C(F)=C\CN
Cc1c(Cc2ccc(cc2C)S(C)(=O)=O)c2ncccc2n1C\C(F)=C\CN
Cc1c(Cc2ccc(c(Cl)c2)S(C)(=O)=O)c2ncccc2n1C\C(F)=C\CN
Cc1c(Cc2ccc(cc2)S(C)(=O)=O)c2cnc(C)cc2n1C\C(F)=C\CN
CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3cc(C)nnc23)cc1
Cc1c(Cc2ccc(cc2)S(C)(=O)=O)c2nc(C)ncc2n1C\C(F)=C\CN
CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3cnc(C)nc23)cc1
Cc1c(CCc2ccc(cc2)S(C)(=O)=O)c2nc(C)ccc2n1C\C(F)=C\CN
CC(C)c1c(Cc2ccc(nc2)S(=O)(=O)C(C)C)c2ncccc2n1C\C(F)=C\CN
CC(C)c1c(C(O)c2ccc(nc2)S(C)(=O)=O)c2ncccc2n1C\C(F)=C\CN
NCc1ccc(s1)S(=O)(=O)c1ccc2ccccc2c1
CS(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
CS(=O)(=O)c1cccc(c1)S(=O)(=O)c1ccc(CN)s1
CS(=O)(=O)c1ccccc1S(=O)(=O)c1ccc(CN)s1
NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCO
CCNCCS(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCO
NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCN=[N+]=[N-]
CC1(C)CCS(=O)(=O)c2cc(ccc12)S(=O)(=O)c1ccc(CN)s1
CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
CN(C)S(=O)(=O)c1cccc(c1)S(=O)(=O)c1ccc(CN)s1
NCc1ccc(s1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCCC1
NCc1ccc(s1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCC[C@H]1CO |r|
NCc1ccc(s1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCC[C@H]1COc1ccc(F)cc1 |r|
NCc1ccc(s1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCC[C@H]1CNS(=O)(=O)c1ccccc1 |r|
CC(C)S(=O)(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cccc(c1)S(=O)(=O)c1ccc(CN)s1 |r|
CC(C)(C)c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O
CC(C)S(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)C(C)(C)C
CCS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)C(C)(C)C
CC(C)(C)Oc1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O
CCOc1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O
CC(C)Oc1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O
CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)-c1ccccc1
CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)-c1cccnc1
Cc1ccc(cc1)-c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O
Cn1cc(cn1)-c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O
CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)-c1ccc(F)cc1
CS(=O)(=O)c1ccc(cc1-c1ccccc1)S(=O)(=O)c1ccc(CN)s1
Cn1cc(cn1)-c1cc(ccc1S(C)(=O)=O)S(=O)(=O)c1ccc(CN)s1
Cc1ccc(cc1)-c1cc(ccc1S(C)(=O)=O)S(=O)(=O)c1ccc(CN)s1
Cc1ccccc1-c1cc(ccc1S(C)(=O)=O)S(=O)(=O)c1ccc(CN)s1
CS(=O)(=O)c1ccc(cc1-c1ccc(F)cc1)S(=O)(=O)c1ccc(CN)s1
Cc1cccc(c1)-c1cc(ccc1S(C)(=O)=O)S(=O)(=O)c1ccc(CN)s1
NCc1ccc(s1)S(=O)(=O)c1ccccn1
CS(=O)(=O)c1cccc(n1)S(=O)(=O)c1ccc(CN)s1
CS(=O)(=O)c1ccc(s1)S(=O)(=O)c1ccc(CN)s1
Cc1ccc(cc1)-c1cccc(c1)S(=O)(=O)c1cnc(CN)s1
NCc1ncc(s1)S(=O)(=O)c1cc2ccccc2c2ccccc12
CCc1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)-c1cnn(C)c1
Cc1ccc(cc1)-c1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)S(C)(=O)=O
CN(C)C(=O)c1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)-c1ccccc1
NCc1ncc(s1)S(=O)(=O)c1cc(cc(c1)-c1ccccc1)C(O)=O
Cn1cc(cn1)-c1cc(F)cc(c1)S(=O)(=O)c1cnc(CN)s1
Cn1cc(cn1)-c1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)C(O)=O
OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|
FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)OCc1ccccc1
FC1(CNC2CC2c2ccccc2)CCNCC1
COC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccccc3)CC2)cc1
N[C@H]1CC[C@](F)(CNC2CC2c2ccccc2)CC1 |r,wU:1.0,4.4,wD:4.5,(6.77,-2.21,;5.44,-1.44,;4.1,-2.21,;2.77,-1.44,;2.77,.1,;2.77,1.64,;1.44,.87,;.1,.1,;-1.23,.87,;-2,2.21,;-2.77,.87,;-4.1,.1,;-5.44,.87,;-6.77,.1,;-6.77,-1.44,;-5.44,-2.21,;-4.1,-1.44,;4.1,.87,;5.44,.1,)|
OC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccccc3)CC2)cc1
FC1(CNC2CC2c2ccccc2)CCN(Cc2ccccc2)CC1
COC(=O)CCN1CCC(F)(CNC2CC2c2ccccc2)CC1
FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)CCc1ccccc1
FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)Oc1ccccc1
FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)CCC1CCCCC1
CNC1CCC(F)(CNC2CC2c2ccccc2)CC1 |(7.44,-1.44,;6.1,-2.21,;4.77,-1.44,;4.77,.1,;3.44,.87,;2.1,.1,;2.1,1.64,;.77,.87,;-.56,.1,;-1.9,.87,;-2.67,2.21,;-3.44,.87,;-4.77,.1,;-6.1,.87,;-7.44,.1,;-7.44,-1.44,;-6.1,-2.21,;-4.77,-1.44,;2.1,-1.44,;3.44,-2.21,)|
FC1(CNC2CC2c2ccccc2)CCN(CCCc2ccccc2)CC1
FC1(CNC2CC2c2ccccc2)CCN(Cc2ccc(cc2)-c2ccccc2)CC1
FC1(CNC2CC2c2ccccc2)CCN(CCCC2CCCCC2)CC1
CN1CCC(F)(CNC2CC2c2ccccc2)CC1
CS(=O)(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccccc3)CC2)cc1
FC1(CNC2CC2c2ccccc2)CCN(Cc2ccc3ccccc3c2)CC1
FC1(CNC2CC2c2ccccc2)CCCCC1
FC1(CNC2CC2c2ccccc2)CCC(CC1)NC(=O)OCc1ccccc1 |(-1.23,2.8,;-1.23,1.26,;-2.56,2.03,;-3.9,1.26,;-5.23,2.03,;-6,3.36,;-6.77,2.03,;-8.11,1.26,;-9.44,2.03,;-10.77,1.26,;-10.77,-.28,;-9.44,-1.05,;-8.11,-.28,;.1,2.03,;1.44,1.26,;1.44,-.28,;.1,-1.05,;-1.23,-.28,;2.77,-1.05,;4.1,-.28,;4.1,1.26,;5.44,-1.05,;6.77,-.28,;8.11,-1.05,;8.11,-2.59,;9.44,-3.36,;10.77,-2.59,;10.77,-1.05,;9.44,-.28,)|
FC1(CNC2CC2c2ccccc2)CCN(CC1)c1ccccc1
FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)OCC1CCNCC1
OC(=O)c1ccc(CN2CCC(F)(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|
OC(=O)c1ccc(CN2CCC(F)(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 |r|
c1ccc(cc1)[C@@H]2C[C@H]2NCC3(CCN(CC3)C(=O)OCC4CCNCC4)F
FC1(CN[C@H]2C[C@@H]2c2ccccc2)CCN(CC1)C(=O)OCC1CCNCC1 |r|
O=C(Nc1nncs1)c1cc(cs1)C1CC1NCC1CC1
Cc1cc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NCC2CCOCC2)no1 |r|
Cn1cc(NC(=O)c2cc(cs2)C2C[C@H]2NC2CCC2)cn1 |r|
Cn1cc(NC(=O)c2cc(cs2)C2C[C@@H]2NC2CCC2)cn1 |r|
NCc1ncc(s1)S(=O)(=O)c1ccc2ccccc2c1
NC\C(COc1ccc(cc1)S(=O)(=O)CC1CCOCC1)=C/F
CC1(C)COC(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)CO1
CC1(C)CO[C@H](CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)CO1 |r|
CC1(C)CO[C@@H](CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)CO1 |r|
CC1(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)CCOCC1
NC\C(COc1ccc(c(F)c1)S(=O)(=O)CC1CCOCC1)=C/F
CC1(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2F)CCOCC1
NC\C(COc1ccc(c(Cl)c1)S(=O)(=O)CC1CCOCC1)=C/F
NC\C(COc1ccc(cc1F)S(=O)(=O)CC1CCOCC1)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CC1(O)CCOCC1)=C/F
COC1(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)CCOCC1
NC\C(COc1ccc(cc1)S(=O)(=O)CC1(CCOCC1)C#N)=C/F
NC\C(COc1ccc(c(F)c1)S(=O)(=O)CC1(CCOCC1)C#N)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)C[C@H]1CC[C@H](O)CC1)=C/F |r,wU:15.15,wD:18.19,(8.67,1.54,;7.34,.77,;6,1.54,;4.67,.77,;3.33,1.54,;2,.77,;2,-.77,;.67,-1.54,;-.67,-.77,;-.67,.77,;.67,1.54,;-2,-1.54,;-2.77,-2.87,;-1.23,-2.87,;-3.33,-.77,;-4.67,-1.54,;-4.67,-3.08,;-6,-3.85,;-7.34,-3.08,;-8.67,-3.85,;-7.34,-1.54,;-6,-.77,;6,3.08,;7.34,3.85,)|
NC\C(COc1ccc(cc1)S(=O)(=O)C[C@@H]1CC[C@H](O)CC1)=C/F |r,wU:15.15,18.19,(8.67,1.54,;7.34,.77,;6,1.54,;4.67,.77,;3.33,1.54,;2,.77,;2,-.77,;.67,-1.54,;-.67,-.77,;-.67,.77,;.67,1.54,;-2,-1.54,;-2.77,-2.87,;-1.23,-2.87,;-3.33,-.77,;-4.67,-1.54,;-6,-.77,;-7.34,-1.54,;-7.34,-3.08,;-8.67,-3.85,;-6,-3.85,;-4.67,-3.08,;6,3.08,;7.34,3.85,)|
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)C1(CC1)NC(=O)C1CC1)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(O)(CC1)CC2)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)C1(O)CC1)=C/F
CO[C@H]1CC[C@H](CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)CC1 |r,wU:5.5,wD:2.1,(-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-4,-1.54,;-2.67,-.77,;-1.33,-1.54,;-2.1,-2.87,;-.56,-2.87,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;5.33,.77,;6.67,1.54,;8,.77,;9.34,1.54,;6.67,3.08,;8,3.85,;1.33,1.54,;,.77,;-5.33,-.77,;-6.67,-1.54,)|
CO[C@@H]1CC[C@H](CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)CC1 |r,wU:5.5,2.1,(-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-4,-1.54,;-2.67,-.77,;-1.33,-1.54,;-2.1,-2.87,;-.56,-2.87,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;5.33,.77,;6.67,1.54,;8,.77,;9.34,1.54,;6.67,3.08,;8,3.85,;1.33,1.54,;,.77,;-5.33,-.77,;-6.67,-1.54,)|
NC\C(COc1ccc(cc1)S(=O)(=O)C[C@@H]1CCOC1)=C/F |r|
NC\C(COc1ccc(cc1)S(=O)(=O)C[C@H]1CCOC1)=C/F |r|
NC\C(COc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCO1)=C/F |r|
NC\C(COc1ccc(cc1)S(=O)(=O)C[C@H]1CCCO1)=C/F |r|
COCC(COC)CS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1
NC\C(COc1ccc(cc1)S(=O)(=O)COC1CCOCC1)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)COC1CCN(CC1)C(=O)C1CCCC1)=C/F
COCS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1
COCCOCS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1
NC\C(COc1ccc(cc1)S(=O)(=O)COCC1CCOCC1)=C/F
CC1(COCS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)CCOCC1
NC\C(COc1ccc(cc1)S(=O)(=O)COCC1(CCOCC1)C#N)=C/F
CC(C)C(=O)N1CCC(C)(COCS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)CC1
CC(C)(C)C(=O)N1CCC(C)(COCS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)CC1
NC\C(COc1ccc(cc1)S(=O)(=O)COCC1CCN(CC1)C(=O)C1(CC1)C(F)(F)F)=C/F
COCC(COC)OCS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1
CC(C)C(=O)N1CCC(COCS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)CC1
CS(=O)(=O)N1CCC(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)CC1
NC\C(COc1ccc(cc1)S(=O)(=O)CC1CCN(CC1)C(=O)c1ccc(F)cc1)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CC1CCN(CC1)C(=O)C12CC(F)(C1)C2)=C/F
CC(C)(C)C(=O)N1CCC(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)CC1
CC(C)(C)CC(=O)N1CCC(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)CC1
NC\C(COc1ccc(cc1)S(=O)(=O)CC1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2)=C/F |TLB:32:23:30:27.26.28,THB:28:27:31.29.30:24,28:29:24:27.26.32,32:27:30:23.31.24,21:23:30:27.26.28|
NC\C(COc1ccc(cc1)S(=O)(=O)CC1CCN(CC1)C(=O)C1CC1)=C/F
CC(C)C(=O)Nc1ccc(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)cc1
NC\C(COc1ccc(cc1)S(=O)(=O)Cc1ccc(cc1)C(=O)N1CCCC1)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)Cc1cccc(c1)C(=O)N1CCCC1)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CC1CCN(CC1)C(=O)CC1CC1)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CC1CCN(CC1)C(=O)C1(CC1)C(F)(F)F)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CC1CCN(CC1)C(=O)C1CCC1)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CC1CCN(CC1)C(=O)C1CC(F)(F)C1)=C/F
CC(C)C(=O)N1CC(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)C1
CC(C)C(=O)N1CCC(C)(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)CC1
CC(C)(C)C(=O)N1CCC(C)(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)CC1
CC1(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)CCN(CC1)C(=O)C1(CC1)C(F)(F)F
CC1(CCC1)C(=O)N1CCC(C)(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)CC1
CC1(CC1)C(=O)N1CCC(C)(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)CC1
NC\C(COc1ccc(c(F)c1)S(=O)(=O)CC1CCN(CC1)C(=O)C1CCCC1)=C/F
NC\C(COc1ccc(c(F)c1)S(=O)(=O)CC1CCN(CC1)C(=O)CC(F)(F)F)=C/F
NC\C(COc1ccc(c(Cl)c1)S(=O)(=O)CC1CCN(CC1)C(=O)C1CC1)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)C(=O)N1CCCC1)=C/F
CN(C)C(=O)C12CCC(CS(=O)(=O)c3ccc(OC\C(CN)=C\F)cc3)(CC1)CC2
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)C(=O)N1CCC(F)(F)CC1)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)C(=O)NC1CCC1)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)C(=O)NCC(F)(F)F)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)C(=O)NCC1CC1)=C/F
CC1(CC1)NC(=O)C12CCC(CS(=O)(=O)c3ccc(OC\C(CN)=C\F)cc3)(CC1)CC2
CC(C)OCCNC(=O)C12CCC(CS(=O)(=O)c3ccc(OC\C(CN)=C\F)cc3)(CC1)CC2
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)C(=O)NC1CC(F)(F)C1)=C/F
CC(C)(C)NC(=O)C12CCC(CS(=O)(=O)c3ccc(OC\C(CN)=C\F)cc3)(CC1)CC2
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)C(=O)N1CCC1)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)C(=O)N1CC(F)(F)C1)=C/F
CN(C1CC1)C(=O)C12CCC(CS(=O)(=O)c3ccc(OC\C(CN)=C\F)cc3)(CC1)CC2
CCN(CC)C(=O)C12CCC(CS(=O)(=O)c3ccc(OC\C(CN)=C\F)cc3)(CC1)CC2
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)C(=O)NC1CC1)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)NC(=O)C1CC1)=C/F
CC(C)(C)C(=O)NC12CC(CS(=O)(=O)c3ccc(OC\C(CN)=C\F)cc3)(C1)C2
CN(C(=O)C1CC1)C12CCC(CS(=O)(=O)c3ccc(OC\C(CN)=C\F)cc3)(CC1)CC2
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)NC(=O)CC(F)(F)F)=C/F
CC(C)C(=O)NC12CCC(CS(=O)(=O)c3ccc(OC\C(CN)=C\F)cc3)(CC1)CC2
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)NS(=O)(=O)C1CC1)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)N1CCCS1(=O)=O)=C/F
CC1CCN(C1=O)C12CCC(CS(=O)(=O)c3ccc(OC\C(CN)=C\F)cc3)(CC1)CC2
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)NC(=O)C1CC1(F)F)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)NC(=O)C1(CC1)C(F)(F)F)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)NC(=O)C1(F)CC1)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)C#N)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)NC(=O)C1CC1)=C/F |r,wU:18.22,wD:15.15,(10.77,2.21,;9.44,1.44,;8.11,2.21,;6.77,1.44,;5.44,2.21,;4.1,1.44,;4.1,-.1,;2.77,-.87,;1.44,-.1,;1.44,1.44,;2.77,2.21,;.1,-.87,;-.67,-2.21,;.87,-2.21,;-1.23,-.1,;-2.56,-.87,;-3.9,-.1,;-5.23,-.87,;-5.23,-2.41,;-3.9,-3.18,;-2.56,-2.41,;-6.57,-3.18,;-7.9,-2.41,;-7.9,-.87,;-9.23,-3.18,;-10.77,-3.18,;-10,-4.52,;8.11,3.75,;9.44,4.52,)|
NC\C(COc1ccc(cc1)S(=O)(=O)Cc1ccc(C(=O)NC2CCC2)c(c1)C(F)(F)F)=C/F
CC(C)(C)C(=O)NC12CCC(CS(=O)(=O)c3ccc(OC\C(CN)=C\F)cc3)(CC1)CC2
CC1(CC1)C(=O)NC12CCC(CS(=O)(=O)c3ccc(OC\C(CN)=C\F)cc3)(CC1)CC2
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)NC(=O)C1CCC1)=C/F
C[C@H](CN1CCCC1=O)CS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1 |r|
C[C@@H](CN1CCCC1=O)CS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1 |r|
CC(C)N(C)C(=O)C(C)(C)CS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1
CC(C)C(=O)N(C)CC(C)(C)CS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1
CCN(CC(C)CS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1)C(=O)C(C)C
CCN(CC(C)(C)CS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1)C(=O)C(C)C
CC(C)C(=O)N1CCC(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)C1
NC\C(COc1ccc(cc1)S(=O)(=O)CC1CCCN(C1)C(=O)C1CCCC1)=C/F
CC(C)n1ccc(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)cc1=O
CC(C)n1nc(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)ccc1=O
NC\C(COc1ccc(cc1)S(=O)(=O)Cc1cnc(nc1)N1CCCC1)=C/F
C[C@H](CN1CCCCC1=O)CS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1 |r|
C[C@@H](CN1CCCCC1=O)CS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1 |r|
NC\C(COc1ccc(cc1)S(=O)(=O)CC1(CN2CCCCC2=O)CC1)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CCC1NCCCC1=O)=C/F
C[C@@H](CS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1)N1CCCCC1=O |r|
C[C@H](CN1CCC2(CCCC2)C1=O)CS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1 |r|
C[C@@H](CN1CCC2(CCCC2)C1=O)CS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1 |r|
CC(CN1C(=O)CCC1(C)C)CS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1
C[C@H](CN1CCOCC1)CS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1 |r|
C[C@@H](CN1CCOCC1)CS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1 |r|
CC(CN1CCOCC1)CS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1F
CC(C)(CN1CCOCC1)CS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1
NC\C(COc1ccc(cc1)S(=O)(=O)CC1(CN2CCOCC2)CC1)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CN1CCCC1=O)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CN1Cc2ccccc2C1=O)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CN1C(=O)CCc2ccccc12)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CN1C(=O)C2(CC2)c2ccccc12)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)Cn1ccccc1=O)=C/F
CC(C)C(=O)N(C)CS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1
CC1(C)CCC(=O)N1CS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1
CC1(C)CCC(=O)N1CS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1Cl
CC1(C)CCN(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)C1=O
CC1(C)CN(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)C(=O)C1
NC\C(COc1ccc(cc1)S(=O)(=O)CN1CCC2(CCCC2)C1=O)=C/F
NC\C(COc1ccc(c(F)c1)S(=O)(=O)CN1CCC2(CCCC2)C1=O)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CN1CCCCC1=O)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CN1CCOCC1=O)=C/F
NC\C(COc1ccc(c(F)c1)S(=O)(=O)CN1CCOCC1=O)=C/F
CC1(C)COCC(=O)N1CS(=O)(=O)c1ccc(OC\C(CN)=C\F)cc1
CC(C)(C)C(=O)N1CCN(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)C(=O)C1
CC1(CCC1)C(=O)N1CCN(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)C(=O)C1
CC(C)N1CCN(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)C(=O)C1
CC(C)N1CCC2(CCN(CS(=O)(=O)c3ccc(OC\C(CN)=C\F)cc3)CC2)C1=O
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CC(C1)(C2)C(=O)NC1CCC1)=C/F
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)NC(=O)C1CC1)=C\F
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)C(=O)NC1CCC1)=C\F
CC(C)(C)NC(=O)C12CCC(CS(=O)(=O)c3ccc(OC\C(CN)=C/F)cc3)(CC1)CC2
CC(C)(C)C(=O)NC12CCC(CS(=O)(=O)c3ccc(OC\C(CN)=C/F)cc3)(CC1)CC2
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(C2)C(=O)NC1CCC1)=C/F |$;;;;;;;;;;;;;;;;;;;;;;;o;;;;;;;$|
CC(C)NC(=O)C1CCC(CS(=O)(=O)c2ccc(OC\C(CN)=C\F)cc2)CC1 |(-10.67,-2.31,;-9.34,-3.08,;-9.34,-4.62,;-8,-2.31,;-6.67,-3.08,;-6.67,-4.62,;-5.33,-2.31,;-4,-3.08,;-2.67,-2.31,;-2.67,-.77,;-1.33,,;,-.77,;-.77,-2.1,;.77,-2.1,;1.33,,;2.67,-.77,;4,,;4,1.54,;5.33,2.31,;6.67,1.54,;8,2.31,;9.34,1.54,;10.67,2.31,;8,3.85,;9.34,4.62,;2.67,2.31,;1.33,1.54,;-4,,;-5.33,-.77,)|
CC(C)(C)C(=O)NC12CCC(CS(=O)(=O)c3ccc(OC\C(CN)=C\F)cc3)(CC1)C2
NC\C(COc1ccc(cc1)S(=O)(=O)CC12CCC(CC1)(CC2)C(O)=O)=C/F
NCc1ncc(s1)S(=O)(=O)c1ccc2ccccc2n1
NC\C(COc1ccc2C(=O)N(CCc2c1)C1CC1)=C/F
NC\C(COc1cc2CN(C3CC3)C(=O)c2cn1)=C/F
NC\C(COc1ccc2C(=O)N(CCc2n1)C1CC1)=C\F
CCCCc1nc2ccc(OC\C(CN)=C\F)cc2o1
CCCCc1nc2ccc(OC\C(CN)=C\F)c(F)c2o1
CCCCc1nc2ccc(OC\C(CN)=C\F)cc2s1
CCCNc1nc2ccc(OC\C(CN)=C\F)cc2s1
CCCNc1nc2ccc(OC\C(CN)=C\F)cc2o1
CCCNc1nc2ccc(OC\C(CN)=C\F)c(F)c2o1
CCCCc1nc2ccc(OC\C(CN)=C\F)c(Br)c2s1
CCCCc1nc2cc(OC\C(CN)=C\F)ccc2o1
CCCCn1oc2cc(OC\C(CN)=C\F)ccc2c1=O
CCCCc1nc2ccc(OC\C(CN)=C\F)c(C)c2o1
CCCCc1nc2cc(OC\C(CN)=C\F)ccc2n1C
CCCNc1nc2ccc(OC\C(CN)=C/F)cc2s1
CCCCc1nc2ccc(OC\C(CN)=C\F)cc2[nH]1
CCCNc1nc2ccc(OC\C(CN)=C/F)c(F)c2s1
CCCCc1nc2ccc(OC\C(CN)=C/F)c(F)c2s1
CCCCc1nc2ccc(NC\C(CN)=C\F)cc2o1
CCCCc1nc2ccc(CC(CN)=CF)cc2o1 |w:14.14|
CCCCc1nc2ccc(OC\C(CN)=C/F)cc2o1
CCCCc1nc2ccc(cc2o1)N(C)C\C(CN)=C\F
NC\C(COc1ccc2nc(NCc3ccccc3)oc2c1)=C/F
CCCCc1nc2ccc(SC\C(CN)=C\F)cc2o1
NC\C(COc1ccc2nc(NCc3ccncc3)oc2c1)=C/F
COc1ccc(CNc2nc3ccc(OC\C(CN)=C\F)cc3o2)cc1
COc1cccc(CNc2nc3ccc(OC\C(CN)=C\F)cc3o2)c1
NC\C(COc1ccc2nc(NCc3cccnc3)oc2c1)=C/F
CCCCc1nc2ccc(cc2o1)C(CN)=CF |w:16.18|
CCCCc1nc2ccc(COC\C(CN)=C\F)cc2o1
CC1CCN(C1)c1nc2ccc(OC\C(CN)=C\F)cc2o1
CCCCc1nc2ccc(C\C(CN)=C\F)cc2o1
[#6]-[#6]-[#6]-[#6]-c1nc2ccc(-[#8]-[#6]\[#6](-[#6]-[#7])=[#6](\F)F)cc2o1
CC1CN(C1)c1nc2ccc(OC\C(CN)=C\F)cc2o1
NC\C(COc1ccc2nc(oc2c1)C12CCC(CC1)CC2)=C/F
NC\C(COc1ccc2nc(CCCc3ccccc3)oc2c1)=C/F
CC1(C)CCC(CC1)c1nc2ccc(OC\C(CN)=C\F)cc2o1
NC\C(COc1ccc2nc(oc2c1)C1CCCC1)=C/F
CCCCc1nc2ccc(OCCC(CN)=CF)cc2o1 |w:16.16|
CC(C)(C)Nc1nc2ccc(OC\C(CN)=C\F)cc2o1
CCCCc1nc2ccc(cc2o1)C(=O)NC\C(CN)=C\F
NC\C(COc1ccc2nc(oc2c1)C1CCC(CC1)c1ccccc1)=C/F |(10.63,-1.33,;9.3,-.56,;7.96,-1.33,;6.63,-.56,;5.3,-1.33,;3.96,-.56,;3.96,.98,;2.63,1.75,;1.3,.98,;-.17,1.46,;-1.07,.21,;-.17,-1.04,;1.3,-.56,;2.63,-1.33,;-2.61,.21,;-3.38,1.54,;-4.92,1.54,;-5.75,.21,;-4.92,-1.12,;-3.38,-1.12,;-7.29,.21,;-8.06,-1.12,;-9.6,-1.12,;-10.37,.21,;-9.6,1.54,;-8.06,1.54,;7.96,-2.87,;9.3,-3.64,)|
CC1CCN(C1)c1nc2ccc(OC\C(CN)=C/F)cc2o1
CCCC(C)c1nc2ccc(OC\C(CN)=C\F)cc2o1
CCCCc1nc2ccc(NC\C(CN)=C/F)cc2o1
NC\C(COc1ccc2nc(NCCc3ccccc3)oc2c1)=C/F
CCCN(C)c1nc2ccc(OC\C(CN)=C\F)cc2o1
NC\C(COc1ccc2nc(NCCO)oc2c1)=C/F
CC(C)(Nc1nc2ccc(OC\C(CN)=C\F)cc2o1)c1ccccc1
CN(Cc1ccccc1)c1nc2ccc(OC\C(CN)=C\F)cc2o1
CC(C)(C)c1nc2ccc(OC\C(CN)=C\F)cc2o1
CC(C)(C)CCCc1nc2ccc(OC\C(CN)=C\F)cc2o1
CNC(=O)CN(Cc1ccccc1)c1nc2ccc(OC\C(CN)=C\F)cc2o1
NC\C(COc1ccc2nc(oc2c1)C12CC3CC(CC(C3)C1)C2)=C/F |TLB:23:14:21:17.18.19,10:14:17:21.20.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15|
Cc1ccc(CNc2nc3ccc(OC\C(CN)=C\F)cc3o2)cn1
CNC(=O)C(Cc1ccccc1)Nc1nc2ccc(OC\C(CN)=C/F)cc2o1
NC\C(COc1ccc2nc(NCc3ccc(cc3)N3CCCC3=O)oc2c1)=C\F
NC\C(COc1ccc2nc(NCc3cccnc3)oc2c1)=C\F
CC(C)(C)CNc1nc2ccc(OC\C(CN)=C\F)cc2o1
Cc1cc(CNc2nc3ccc(OC\C(CN)=C/F)cc3o2)cc(C)n1
COCCNc1nc2ccc(OC\C(CN)=C/F)cc2o1
NC\C(COc1ccc2nc(NCc3ccnc(c3)C(F)(F)F)oc2c1)=C\F
CNC(=O)CNc1nc2ccc(OC\C(CNC(=O)OC(C)(C)C)=C/F)cc2o1
NC\C(COc1ccc2nc(oc2c1)N1CCOCC1)=C\F
NC\C(COc1ccc2nc(NCCC3COC3)oc2c1)=C\F
CCCCn1nc2ccc(OC\C(CN)=C\F)cc2n1
NC\C(COc1ccc2nc(oc2c1)N1CC2(COC2)C1)=C/F
CCCCc1nc2cc(C)c(OC\C(CN)=C\F)cc2o1
Cc1ncccc1CNc1nc2ccc(OC\C(CN)=C/F)cc2o1
NC\C(COc1ccc2nc(NCCCO)oc2c1)=C/F
CNC(=O)CN(C)c1nc2ccc(OC\C(CN)=C\F)cc2o1
CCCCc1nc2ccc(OC\C(CN)=C/F)cc2n1C
COc1cc(CNc2nc3ccc(OC\C(CN)=C/F)cc3o2)ccn1
COc1ncccc1CNc1nc2ccc(OC\C(CN)=C/F)cc2o1
COc1ccc(CNc2nc3ccc(OC\C(CN)=C/F)cc3o2)cn1
NC\C(COc1ccc2nc(oc2c1)N1CCC(O)CC1)=C\F
NC\C(COc1ccc2nc(NC3CCC(O)CC3)oc2c1)=C\F |(8.16,-.35,;6.83,.42,;5.5,-.35,;4.16,.42,;2.83,-.35,;1.49,.42,;1.49,1.96,;.16,2.73,;-1.17,1.96,;-2.64,2.43,;-3.54,1.19,;-5.08,1.19,;-5.85,-.15,;-7.39,-.15,;-8.16,-1.48,;-7.39,-2.82,;-8.16,-4.15,;-5.85,-2.82,;-5.08,-1.48,;-2.64,-.06,;-1.17,.42,;.16,-.35,;5.5,-1.89,;4.16,-2.66,)|
CC(C)(C)n1oc2cc(OC\C(CN)=C/F)ccc2c1=O
CNC(=O)[C@@H](Cc1ccccc1)Nc1nc2ccc(OC\C(CN)=C/F)cc2o1 |r|
COCCCNc1nc2ccc(OC\C(CN)=C/F)cc2o1
CCCCc1nc2c(F)cc(OC\C(CN)=C\F)cc2o1
NC\C(COc1ccc2nc(NCc3ccc(nc3)C(F)(F)F)oc2c1)=C\F
NC\C(COc1ccc2nc(NCc3ccc(nc3)C(F)(F)F)oc2c1)=C/F
NC\C(COc1ccc2nc(oc2c1)N1CCC(O)C1)=C/F
CC1CN(c2nc3ccc(OC\C(CN)=C\F)cc3o2)C(C)(C)C1
NC\C(COc1ccc2nc(NC3CCC(O)C3)oc2c1)=C/F
NC\C(COc1ccc2nc(NCCCO)sc2c1)=C/F
CCCCn1cnc2cc(OC\C(CN)=C\F)ccc12
NC\C(COc1ccc2nc(oc2c1)N1CCS(=O)(=O)CC1)=C/F
Cc1cc(CNc2nc3ccc(OC\C(CNO)=C\F)cc3o2)cc(C)n1
CCCCc1nc2ccc(cc2o1)C(=C)CN
NC\C(COc1ccc2nc(NCCC(Cl)CCO)oc2c1)=C\F
NC\C(COc1ccc2nc(NCc3ccncc3)oc2c1)=C\F
O=S(=O)(N1CCc2cc(ccc12)C1CC1NCc1c[nH]c2ccccc12)c1ccccc1
O=S(=O)(N1CCc2cc(ccc12)C1CC1NCC1CCNCC1)c1ccccc1
O=S(=O)(N1CCc2cc(ccc12)C1CC1NC1CCNCC1)c1ccccc1
O=S(=O)(N1CCc2cc(ccc12)C1CC1NCCC1CCNCC1)c1ccccc1
O=S(=O)(N1CCc2cc(ccc12)C1CC1NCC1CNC1)c1ccccc1
NC1CCC(CNC2CC2c2ccc3N(CCc3c2)S(=O)(=O)c2ccccc2)CC1 |(9.62,5.36,;8.29,4.59,;8.29,3.05,;6.95,2.28,;5.62,3.05,;4.29,2.28,;2.95,3.05,;1.86,1.97,;1.09,3.3,;.32,1.97,;-1.01,1.2,;-1.01,-.34,;-2.34,-1.11,;-3.68,-.34,;-5.14,-.82,;-6.05,.43,;-5.14,1.67,;-3.68,1.2,;-2.34,1.97,;-5.62,-2.28,;-4.08,-2.28,;-4.85,-3.62,;-6.95,-3.05,;-8.29,-2.28,;-9.62,-3.05,;-9.62,-4.59,;-8.29,-5.36,;-6.95,-4.59,;5.62,4.59,;6.95,5.36,)|
NC1CCC(CC1)NC1CC1c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1 |(9.26,2.27,;7.77,2.67,;6.68,1.58,;5.2,1.98,;4.8,3.47,;5.89,4.55,;7.37,4.16,;3.31,3.86,;2.22,2.78,;1.45,4.11,;.68,2.78,;-.65,2.01,;-.65,.47,;-1.99,-.3,;-3.32,.47,;-4.78,-.01,;-5.69,1.24,;-4.78,2.48,;-3.32,2.01,;-1.99,2.78,;-5.26,-1.47,;-3.72,-1.47,;-4.49,-2.81,;-6.59,-2.24,;-7.93,-1.47,;-9.26,-2.24,;-9.26,-3.78,;-7.93,-4.55,;-6.59,-3.78,)|
O=S(=O)(N1CCc2cc(ccc12)C1CC1NC1CC2(C1)CCNCC2)c1ccccc1
CC1(CNC2CC2c2ccc3N(CCc3c2)S(=O)(=O)c2ccccc2)CCNCC1
O=S(=O)(N1CCc2cc(ccc12)C1CC1NCC1CCN(Cc2ccccc2)CC1)c1ccccc1
CC(C)(C)OC(=O)N1CCC(CNC2CC2c2ccc3N(CCc3c2)S(=O)(=O)c2ccccc2)CC1
O=S(=O)(N1CCc2cc(ccc12)C1CC1NCC1CCNCC1)c1ccc(cc1)-c1ccccc1
O=S(=O)(N1CCc2cc(ccc12)C1CC1NCC1CCNCC1)c1ccc2ccccc2c1
FC(F)(F)c1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
Clc1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
COc1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
CS(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
CCCS(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
FC(F)(F)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
O=S(=O)(C1CCCCC1)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
O=C(N1CCc2cc(ccc12)C1CC1NCC1CCNCC1)c1ccccc1
O=C(N1CCc2cc(ccc12)C1CC1NCC1CCNCC1)c1ccc(cc1)-c1ccccc1
FC(F)(F)c1cccc(c1)C(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
O=C(Cc1ccccc1)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
O=C(OCc1ccccc1)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
CCC(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
CCCC(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
CCCCC(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
COCCC(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
CC(C)(C)C(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
NC/C=C(F)CS(=O)(=O)c1ccccc1
NC/C=C(F)/CS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
CS(=O)(=O)c1ccc(S(=O)(=O)C/C(F)=C/CN)cc1
NC/C=C(F)CS(=O)(=O)c1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1
CN(C)S(=O)(=O)c1ccc(COc2ccccc2S(=O)(=O)C/C(F)=C/CN)cc1
CN(C)S(=O)(=O)c1ccc(Oc2ccccc2S(=O)(=O)C/C(F)=C/CN)cc1
NC/C=C(F)CS(=O)(=O)c1ccccc1OCc1ccccc1
NC/C=C(F)CS(=O)(=O)c1ccccc1OCc1ccc(S(N)(=O)=O)cc1
CN(C)S(=O)(=O)c1ccc(COc2cccc(S(=O)(=O)C/C(F)=C/CN)c2)cc1
CN(C)S(=O)(=O)c1ccc(COc2ccc(S(=O)(=O)C/C(F)=C/CN)cc2)cc1
CC(C)N(C(C)C)S(=O)(=O)c1ccc(COc2ccccc2S(=O)(=O)C/C(F)=C/CN)cc1
NC/C=C(F)CS(=O)(=O)c1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2
NC/C=C(F)CS(=O)(=O)c1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1
CC(C)NS(=O)(=O)c1ccc(COc2ccccc2S(=O)(=O)C/C(F)=C/CN)cc1
CC(C)N(C(C)C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2S(=O)(=O)C/C(F)=C/CN)cc1
NC/C=C(F)CS(=O)(=O)c1ccccc1Cl
NC/C=C(F)CS(=O)(=O)c1ccc2ccccc2n1
NC/C=C(F)CS(=O)(=O)c1cccc2cccnc12
NC/C=C(F)CS(=O)(=O)c1cccc2cc(F)cnc12
Clc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
Cc1ccc(N\C=C2/C(=O)Oc3ccccc3C2=O)cc1
CN1CCC(=CC1)C#Cc1ccccc1 |c:4|
CCCN1CCC(=CC1)c1ccccc1 |c:6|
C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O |r|
CN1CCC(=CC1)C#C |c:4|
C=CCN1CCC(=CC1)c1ccccc1 |c:6|
C1CCC(C1)N1CCC(=CC1)c1ccccc1 |c:9|
CN1CCC(=CC1)c1ccccc1 |c:4|
CN1CCC(C=C)=CC1 |c:6|
C#CCN1CCC(=CC1)c1ccccc1 |c:6|
COc1cc(N2CC[C@@H](Oc3ccc(cc3)N3N=C([C@@H](C)[C@@H]3CC(O)=O)C(F)(F)F)[C@H](C)C2)c(Cl)cn1 |r,c:18|
CCN(CC)CCCOc1ccc2CCC(=O)Nc2c1
CC(C)N1CCN(CCCOc2ccc3CCC(=O)Nc3c2)CC1
O=C1CCc2ccc(OCCCN3CCN(CC3)c3ccccn3)cc2N1
O=C1CCc2ccc(OCCCN3CCN(Cc4ccccc4)CC3)cc2N1
O=C1CCc2ccc(OCCCN3CCc4ccccc4C3)cc2N1
O=C1CCc2ccc(OCCCN(CC#C)Cc3ccccc3)cc2N1
CCN(CC)CCCCOc1ccc2CCC(=O)Nc2c1
CC(C)N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
O=C1CCc2ccc(OCCCCN3CCN(Cc4ccccc4)CC3)cc2N1
O=C1CCc2ccc(OCCCCN3CCc4ccccc4C3)cc2N1
O=C1CCc2ccc(OCCCCN(CC#C)Cc3ccccc3)cc2N1
CCN(CC)CCCCCOc1ccc2CCC(=O)Nc2c1
CC(C)N1CCN(CCCCCOc2ccc3CCC(=O)Nc3c2)CC1
O=C1CCc2ccc(OCCCCCN3CCN(CC3)c3ccccn3)cc2N1
O=C1CCc2ccc(OCCCCCN3CCc4ccccc4C3)cc2N1
O=C1CCc2ccc(OCCCCCN(CC#C)Cc3ccccc3)cc2N1
CCN(CC)CCCCCCOc1ccc2CCC(=O)Nc2c1
CC(C)N1CCN(CCCCCCOc2ccc3CCC(=O)Nc3c2)CC1
O=C1CCc2ccc(OCCCCCCN3CCN(CC3)c3ccccn3)cc2N1
O=C1CCc2ccc(OCCCCCCN3CCN(Cc4ccccc4)CC3)cc2N1
O=C1CCc2ccc(OCCCCCCN3CCc4ccccc4C3)cc2N1
O=C1CCc2ccc(OCCCCCCN(CC#C)Cc3ccccc3)cc2N1
CCN(CCCCCCOc1ccc2CCC(=O)Nc2c1)Cc1ccccc1
O=C1CCc2ccc(OCCCCCCN3CCCC3)cc2N1
O=C1CCc2ccc(OCCCCCCN3CCC(Cc4ccccc4)CC3)cc2N1
O=C1CCc2ccc(OCCCN3CCCCC3)cc2N1
O=C1CCc2ccc(OCCCN3CCC(CC3)N3CCCC3)cc2N1
O=C1CCc2ccc(OCCCCN3CCCCC3)cc2N1
O=C1CCc2ccc(OCCCCN3CCN(CC3)c3ccccn3)cc2N1
O=C1CCc2ccc(OCCCCCN3CCCCC3)cc2N1
O=C1CCc2ccc(OCCCCCN3CCN(Cc4ccccc4)CC3)cc2N1
O=C1CCc2ccc(OCCCCCCN3CCCCC3)cc2N1
O=C1CCc2ccc(OCCCCCCN3CCC(CC3)N3CCCC3)cc2N1
O=C(N\N=C\c1cccnc1)c1ccc(cc1)-c1nc2ccccc2n1CC#C
Cn1cccc1\C=N\NC(=O)c1ccc(cc1)-c1nc2ccccc2n1CC#C
Fc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3n2CC#C)cc1
Oc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3n2CC#C)cc1
COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3n2CC#C)cc1
Oc1cc(O)cc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3n2CC#C)c1
COc1cc(OC)cc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3n2CC#C)c1
[O-][N+](=O)c1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3n2CC#C)s1
Clc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3n2CC#C)cc1
COc1cccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3n2CC#C)c1
COc1cccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3n2CC#C)c1OC
Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccc(O)cc1
Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccc(Cl)cc1
Cc1ccc(NC(=O)c2cc3cc(C)ccc3oc2=O)cc1
Cc1ccc2occ(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1
Cc1cccc(NC(=O)c2cc3cc(C)ccc3oc2=O)c1
COc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cccc(C)c1
COc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cccc(Cl)c1
COc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cccc(O)c1
COc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccc(Cl)cc1
Cc1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1
Cc1cccc(NC(=O)c2coc3ccc(C)cc3c2=O)c1
Cc1ccc(NC(=O)c2coc3ccc(C)cc3c2=O)cc1
Cc1ccc2occ(C(=O)Nc3ccc(Cl)cc3)c(=O)c2c1
Cc1ccc2occ(C(=O)Nc3ccc(O)cc3)c(=O)c2c1
COc1ccc2occ(C(=O)Nc3cccc(C)c3)c(=O)c2c1
COc1ccc2occ(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1
COc1ccc2occ(C(=O)Nc3ccc(C)cc3)c(=O)c2c1
COc1ccc2occ(C(=O)Nc3ccc(Cl)cc3)c(=O)c2c1
COc1ccc2occ(C(=O)Nc3ccc(O)cc3)c(=O)c2c1
Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cccc(Cl)c1
Cc1ccc2occ(C(=O)Nc3cccc(O)c3)c(=O)c2c1
COc1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1
COc1ccc2occ(C(=O)Nc3cccc(O)c3)c(=O)c2c1
Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cccc(O)c1
Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
COc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
COc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccc(C)cc1
Cc1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Cc1c(Cl)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Cc1c(C#N)c(=O)oc2cc(OCc3ccc(F)cc3)ccc12
Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12
Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Br)cc3Br)ccc12
O=c1ccc2ccc(OCCN3CCCCC3)cc2o1
Cc1cc(=O)oc2cc(OCCN3CCCCC3)ccc12
Cc1cc(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Cc1c(Cl)c(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Cc1c(C#N)c(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Brc1ccc(CN2CCN(CCOc3ccc4ccc(=O)oc4c3)CC2)cc1
Cc1cc(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
Cc1c(C#N)c(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
FC(F)(F)c1cc(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
Brc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3)ccc12
Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
O=c1ccc2ccc(OCc3ccccc3)cc2o1
Cc1c(Cl)c(=O)oc2cc(OCc3ccccc3)ccc12
FC(F)(F)c1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3Br)ccc12
O=c1ccc2ccc(OCCN3CCC(Cc4ccccc4)CC3)cc2o1
FC(F)(F)c1cc(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Cc1c(Cl)c(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
c1ccc(cc1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O
Cc1cccc(COc2cccc(\C=C\[N+]([O-])=O)c2)c1
[O-][N+](=O)\C=C\c1cccc(OCc2cccc(Br)c2)c1
[O-][N+](=O)\C=C\c1cccc(OCc2cccc(Cl)c2)c1
Cc1ccc(COc2cccc(\C=C\[N+]([O-])=O)c2)cc1
[O-][N+](=O)\C=C\c1cccc(OCc2ccc(cc2)C(F)(F)F)c1
[O-][N+](=O)\C=C\c1cccc(OCc2ccc(Br)cc2)c1
[O-][N+](=O)\C=C\c1cccc(OCc2ccc(F)cc2)c1
[O-][N+](=O)\C=C\c1cccc(OCc2ccccc2)c1
[O-][N+](=O)\C=C\c1cccc(OCc2cccc(c2)C(F)(F)F)c1
[O-][N+](=O)\C=C\c1cccc(OCc2cccc(F)c2)c1
[O-][N+](=O)\C=C\c1cccc(OCc2ccc(Cl)cc2)c1
COc1c(OC\C=C(/C)C[C@H]2OC(=O)C(CCC(N)=O)=C2)ccc2ccc(=O)oc12 |r,c:19|
Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:22.24,11.13,wD:7.7,25.28,(42.67,-23.42,;41.74,-24.67,;40.2,-24.48,;39.28,-25.72,;39.9,-27.13,;41.43,-27.32,;42.35,-26.08,;38.97,-28.37,;39.43,-29.84,;38.17,-30.74,;36.94,-29.81,;37.42,-28.35,;36.54,-27.09,;37.18,-25.69,;36.29,-24.43,;34.75,-24.57,;34.1,-25.97,;35,-27.23,;33.87,-23.31,;32.97,-22.04,;38.15,-32.28,;36.81,-33.03,;39.48,-33.07,;40.81,-32.3,;42.14,-33.09,;42.12,-34.63,;43.44,-35.42,;43.42,-36.96,;40.77,-35.38,;39.46,-34.6,)|
CN(CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
COc1ccccc1CN(C)CCCCCCN1C(=O)c2ccccc2C1=O
O=C1N(CCCCCCN(CC#C)Cc2ccccc2)C(=O)c2ccccc12
COc1ccccc1CN(CCCCCCN1C(=O)c2ccccc2C1=O)CC#C
CCN(CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
CN(CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
CCN(CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1OC
CCN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
CN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
CCN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1OC
COc1ccccc1CN(C)CCN1C(=O)c2ccccc2C1=O
CC(C)N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
COc1ccccc1CN(C)CCCN1C(=O)c2ccccc2C1=O
CCN(CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1OC
CCN(CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
O=C1N(CCCN(CC#C)Cc2ccccc2)C(=O)c2ccccc12
COc1ccccc1CN(CCCN1C(=O)c2ccccc2C1=O)CC#C
COc1ccccc1CN(CCCCCN1C(=O)c2ccccc2C1=O)CC#C
O=C1N(CCCCN(CC#C)Cc2ccccc2)C(=O)c2ccccc12
CN(CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
CC(C)N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1
CC(C)N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1
CC(C)N1CCN(CCCCCCN2C(=O)c3ccccc3C2=O)CC1
COc1ccccc1CN(C)CCCCN1C(=O)c2ccccc2C1=O
COc1ccccc1CN(CCCCN1C(=O)c2ccccc2C1=O)CC#C
CCN(CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
CCN(CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1OC
O=C1N(CCCCCN(CC#C)Cc2ccccc2)C(=O)c2ccccc12
CC(=O)c1ccc(OCCCN2CCN(CC2)c2ncccn2)cc1O
CC(=O)c1ccc(OCCCCN2CCCCC2)cc1O
CC(=O)c1ccc(OCCCCN2CCCC2)cc1O
CC(=O)c1ccc(OCCCCN2CCN(Cc3ccccc3)CC2)cc1O
CC(=O)c1ccc(OCCCCN2CCN(CC2)c2ccccn2)cc1O
CC(=O)c1ccc(OCCCCN2CCN(CC2)c2ncccn2)cc1O
CC(=O)c1ccc(OCCCCCN2CCCCC2)cc1O
CC(=O)c1ccc(OCCCCCN2CCCC2)cc1O
CC(=O)c1ccc(OCCCCCN2CCN(Cc3ccccc3)CC2)cc1O
CC(=O)c1ccc(OCCCCCN2CCN(CC2)c2ccccn2)cc1O
CC(=O)c1ccc(OCCCCCN2CCN(CC2)c2ncccn2)cc1O
CC(=O)c1ccc(OCCCCCCN2CCCCC2)cc1O
CC(=O)c1ccc(OCCCCCCN2CCCC2)cc1O
CC(=O)c1ccc(OCCCCCCN2CCN(Cc3ccccc3)CC2)cc1O
CC(=O)c1ccc(OCCCCCCN2CCN(CC2)c2ccccn2)cc1O
CC(=O)c1ccc(OCCCCCCN2CCN(CC2)c2ncccn2)cc1O
CC(=O)c1ccc(OCc2cccc(F)c2)cc1O
CC(=O)c1ccc(OCCCN2CCCC2)cc1O
CC(=O)c1ccc(OCCCN2CCN(Cc3ccccc3)CC2)cc1O
CC(=O)c1ccc(OCCCN2CCN(CC2)c2ccccn2)cc1O
CC(=O)c1ccc(OCCCN2CCCCC2)cc1O
O=C1C=CC(=O)C(Cc2ccccc2)=C1 |c:2,14|
O=C1C=CC(=O)C(OCc2ccccc2)=C1 |c:2,15|
O=C1C=CC(=O)C(=C1)C1CCCC1 |c:2,6|
c1ccc(cc1)C2=CC(=O)C=CC2=O
NCCNC(=O)c1ccc(Cl)cn1
C1=CC(=O)C=CC1=O
CC1=C(C)C(=O)c2cc(C)ccc2C1=O |c:1|
Oc1cccnc1\N=C\c1coc2ccccc2c1=O
Cc1ccc2occ(\C=N\c3ncccc3O)c(=O)c2c1
Oc1cccnc1\N=C\c1coc2ccc(Br)cc2c1=O
Oc1cc(F)ccc1\N=C\c1coc2ccc(Br)cc2c1=O
Oc1ccc(F)cc1\N=C\c1coc2ccc(Br)cc2c1=O
Cc1ccc2occ(\C=N\c3cc(ccc3O)[N+]([O-])=O)c(=O)c2c1
Cc1ccc2occ(\C=N\c3ccc(Cl)cc3O)c(=O)c2c1
Cc1ccc2occ(\C=N\c3cc(Cl)ccc3O)c(=O)c2c1
Cc1ccc2occ(\C=N\c3cc(F)ccc3O)c(=O)c2c1
Cc1ccc(\N=C\c2coc3ccc(C)cc3c2=O)c(O)c1
Cc1ccc(O)c(c1)\N=C\c1coc2ccc(C)cc2c1=O
Oc1cc2ccccc2cc1\N=C\c1coc2ccccc2c1=O
Oc1ccccc1\N=C\c1coc2ccccc2c1=O
Oc1c(Cl)cccc1\N=C\c1coc2ccccc2c1=O
Oc1cc(Cl)ccc1\N=C\c1coc2ccccc2c1=O
Oc1ccc(Cl)cc1\N=C\c1coc2ccccc2c1=O
Cc1ccc(\N=C\c2coc3ccccc3c2=O)c(O)c1
Cc1ccc(O)c(c1)\N=C\c1coc2ccccc2c1=O
Oc1ccc(F)cc1\N=C\c1coc2ccccc2c1=O
Oc1c(Cl)cccc1\N=C\c1coc2ccc(Br)cc2c1=O
Oc1cc(Cl)ccc1\N=C\c1coc2ccc(Br)cc2c1=O
Oc1ccc(Cl)cc1\N=C\c1coc2ccc(Br)cc2c1=O
Cc1ccc(O)c(c1)\N=C\c1coc2ccc(Br)cc2c1=O
Nc1nn(nc1C(=O)CCc1ccccc1)-c1ccccc1Cl
Cc1ccccc1COC(=O)c1nn(nc1N)-c1ccccc1
Clc1cccc2nc(NC(=O)c3ccccc3)[nH]c12
O=C(Nc1nc2ccccc2[nH]1)c1ccccc1
Cc1cccc(c1)-n1nc(N)c(n1)C(=O)CCc1ccccc1
Nc1nn(nc1C(=O)CCc1ccccc1)-c1ccccc1
Nc1nn(nc1C(=O)NCc1ccccc1)-c1ccccc1
Cc1ccc(COC(=O)c2nn(nc2N)-c2ccccc2)cc1
COc1cccc2nc(NC(=O)c3ccccc3)[nH]c12
C[C@@H]1Oc2ccc(Nc3ncnc4c5ccccc5oc34)cc2NC1=O |r|
COc1cccc(COC(=O)c2nn(nc2N)-c2ccccc2)c1
Nc1nn(nc1C(=O)OCc1ccccc1)-c1ccccc1
Oc1nc(SCc2cccc(F)c2)nc2ccccc12
O=c1[nH]c(SCCCc2ccccc2)nc2ccccc12
Fc1ccc(CSc2nc3ccccc3c(=O)[nH]2)cc1
Oc1nc(SCc2ccc(Cl)cc2)nc2ccccc12
Brc1ccc(CSc2nc3ccccc3c(=O)[nH]2)cc1
Oc1nc(SCc2cccc(Cl)c2)nc2ccccc12
Brc1cccc(CSc2nc3ccccc3c(=O)[nH]2)c1
Oc1nc(SCC(=O)c2ccccc2)nc2ccccc12
Oc1nc(SCCOc2ccccc2)nc2ccccc12
Ic1cccc(CSc2nc3ccccc3c(=O)[nH]2)c1
O=c1[nH]c(SCc2ccccc2)nc2ccccc12
FC(F)(F)c1ccc(CSc2nc3ccccc3c(=O)[nH]2)cc1
[H][C@]12N(C)Cc3c4OCOc4ccc3[C@@]1(C)[C@@H](O)Cc1cc3OCOc3cc21 |r|
COc1cc2CCN3Cc4c(C[C@@H]3c2cc1O)ccc(OC)c4OC |r|
COc1cc2C(=O)c3nccc4cc(OC)c(OC)c(-c2cc1OC)c34
COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(O)c4OC |r|
COc1cc2CC[n+]3cc4c(OC)c(O)ccc4c(C)c3-c2cc1OC
[H][C@@]12[C@H](C)c3ccc(OC)c(OC)c3CN1CCc1cc(OC)c(OC)cc21 |r|
C[n+]1cc2c(ccc(c2OC)OC)c3c1c4cc5c(cc4cc3)OCO5
Cc1ccc2oc(=O)c(cc2c1)-c1cccc(Br)c1
ONC(=O)\C=C\c1ccc(CNC2CC2c2ccccc2)cc1
c1ccc(cc1)[C@@H]2C[C@H]2N
ONC(=O)c1ccc(CNC2CC2c2ccccc2)cc1
Nc1ccccc1NC(=O)c1ccc(CNC2CC2c2ccccc2)cc1
ONC(=O)CCCCCCNC(=O)c1ccc(CNC2(CC2)c2ccccc2)cc1
Nc1ccccc1NC(=O)\C=C\c1ccc(CNC2CC2c2ccccc2)cc1
c1ccc(cc1)NC(=O)CCCCCCC(=O)NO
[H][C@]12Cc3ccccc3[C@@]1([H])[C@H]2N
[H][C@]12Cc3ccccc3[C@@]1([H])[C@@H]2NCc1cccnc1OC
[H][C@]12Cc3ccccc3[C@@]1([H])[C@@]2([H])N[C@H]1CC[C@H](N)CC1
[H][C@]12Cc3ccccc3[C@@]1([H])[C@H]2NCc1cccnc1OC
[H][C@]12Cc3ccccc3[C@@]1([H])[C@]2([H])N[C@@H]1CC[C@H](N)CC1
[H][C@]12Cc3ccccc3[C@@]1([H])[C@]2([H])N[C@H]1CC[C@H](N)CC1
[H][C@]12Cc3ccccc3[C@@]1([H])[C@@H]2N
[H][C@]12Cc3ccccc3[C@@]1([H])[C@@]2([H])N[C@@H]1CC[C@H](N)CC1
CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48|
CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
C\C(=N\Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O)C1CCCCC1
CCCC\C(C)=N/Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
C\C(=N\Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O)C1CC1
[#8-]-[#7+](=O)-c1cccc(c1)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
[#8-]-[#7+](=O)-c1cccc(c1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)n1
CC(C)C\C(C)=N/Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
C\C(CCC=C)=N\Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
[#6]\[#6](-[#6])=[#7]\[#7]-c1nc(cs1)-c1cccc(c1)-[#7+](-[#8-])=O
[#8-]-[#7+](=O)-c1cccc(c1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
[#6]-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#7]-c1nc(cs1)-c1cccc(c1)-[#7+](-[#8-])=O
[#8-]-[#7+](=O)-c1cccc(c1)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
CCCCCC\C(C)=N/Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
CCCCC\C(CC)=N/Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
CCC\C(CC)=N/Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
[#6]-[#6]\[#6](-[#6]-[#6])=[#7]\[#7]-c1nc(cs1)-c1cccc(c1)-[#7+](-[#8-])=O
CCC\C(C)=N/Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
CCCC\C(CC)=N/Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
CC\C(C)=N/Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
CC(C)c1ccc(\C=N\NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)cc1 |c:12|
OC1=C(NS(=O)(=O)c2ccccc12)C(=O)N\N=C\c1cccc(Cl)c1 |t:1|
CC(C)c1ccc(\C=N\NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1 |c:12|
C\C(=N/NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1Cc1ccccc1)c1ccccc1 |c:6|
NNC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1Cc1ccccc1 |c:4|
CCOc1ccc(\C=N\NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1 |c:12|
[#8]-[#6]-1=[#6](-[#7](-[#6]-c2ccccc2)S(=O)(=O)c2ccccc-12)-[#6](=O)-[#7]\[#7]=[#6]-1/[#6]-[#6]-[#6]-[#6]-1 |t:1|
OC1=C(N(Cc2ccccc2)S(=O)(=O)c2ccccc12)C(=O)N\N=C\c1ccccc1O |t:1|
Cc1ccc(\C=N\NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 |c:10|
COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1Cc1ccccc1 |c:4|
OC1=C(NS(=O)(=O)c2ccccc12)C(=O)N\N=C\c1ccccc1 |t:1|
OC1=C(N(Cc2ccccc2)S(=O)(=O)c2ccccc12)C(=O)N\N=C\c1ccccc1 |t:1|
CN1C(C(=O)N\N=C(/C)c2ccc(F)cc2)=C(O)c2ccccc2S1(=O)=O |t:16|
C\C(=N/NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1)c1ccccc1 |c:6|
CN1C(C(=O)N\N=C(/C)c2ccccc2)=C(O)c2ccccc2S1(=O)=O |t:15|
CN1C(C(=O)N\N=C\c2ccc(Cl)cc2)=C(O)c2ccccc2S1(=O)=O |t:15|
C\C(=N/NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1)c1ccc(Cl)cc1 |c:6|
CN1C(C(=O)N\N=C\c2cccc(Cl)c2)=C(O)c2ccccc2S1(=O)=O |t:15|
OC1=C(NS(=O)(=O)c2ccccc12)C(=O)N\N=C\c1ccccc1O |t:1|
Cc1ccc(\C=N\NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1 |c:10|
OC1=C(NS(=O)(=O)c2ccccc12)C(=O)N\N=C\c1ccc(Cl)cc1 |t:1|
COc1ccc(\C=N\NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1 |c:11|
C\C(=N/NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1Cc1ccccc1)c1ccc(F)cc1 |c:6|
C\C(=N/NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1Cc1ccccc1)c1ccc(Cl)cc1 |c:6|
OC1=C(N(Cc2ccccc2)S(=O)(=O)c2ccccc12)C(=O)N\N=C\c1cccc(Cl)c1 |t:1|
CC(C)c1ccc(\C=N\NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 |c:12|
CCOc1ccc(\C=N\NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 |c:12|
OC1=C(N(Cc2ccccc2)S(=O)(=O)c2ccccc12)C(=O)N\N=C\c1ccc(Cl)cc1 |t:1|
COc1ccc(\C=N\NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 |c:11|
CN1C(C(=O)NN)=C(O)c2ccccc2S1(=O)=O |t:6|
COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C |c:4|
COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1 |c:4|
COC(=O)CN1C(=O)c2ccccc2S1(=O)=O
[#6]-[#7]1-[#6](-[#6](=O)-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)=[#6](-[#8])-c2ccccc2S1(=O)=O |t:12|
CN1C(C(=O)N\N=C(/C)c2ccc(Cl)cc2)=C(O)c2ccccc2S1(=O)=O |t:16|
CN1C(C(=O)N\N=C\c2ccccc2O)=C(O)c2ccccc2S1(=O)=O |t:15|
CCOc1ccc(\C=N\NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)cc1 |c:12|
CN1C(C(=O)N\N=C\c2ccc(C)cc2)=C(O)c2ccccc2S1(=O)=O |t:15|
COc1ccc(\C=N\NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)cc1 |c:11|
CN1C(C(=O)N\N=C\c2ccccc2)=C(O)c2ccccc2S1(=O)=O |t:14|
C\C(=N/NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1)c1ccc(F)cc1 |c:6|
NNC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1 |c:4|
[#8]-[#6]-1=[#6](-[#7]S(=O)(=O)c2ccccc-12)-[#6](=O)-[#7]\[#7]=[#6]-1/[#6]-[#6]-[#6]-[#6]-1 |t:1|
CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(CC#C)C(C)=O)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(CC)CC#C)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(CC#C)CC#N)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CCN(CC#C)CC#N)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(CC#C)CC#C)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CCCNCC#C)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CNCC#C)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(C)CC#C)c1
CCCN(CC#C)Cc1cn(cn1)-c1cc(NC(=S)NCC)ncn1
CCCCN(CC#C)Cc1cn(cn1)-c1cc(NC(=S)NCC)ncn1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CCNCC#C)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CCN(C)CC#C)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CCN(CC)CC#C)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CCCN(C)CC#C)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CN2CCN(CC#C)CC2)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(CC#C)Cc2ccccc2)c1
Clc1ccc(cc1)-c1csc(N\N=C\c2ccc(cc2)N2CCOCC2)n1
Brc1ccc(cc1)-c1csc(N\N=C\c2ccc(cc2)N2CCOCC2)n1
N#Cc1ccc(cc1)-c1csc(N\N=C\c2ccc(cc2)N2CCOCC2)n1
Cc1ccc(cc1)-c1csc(N\N=C\c2ccc(cc2)N2CCOCC2)n1
C1CN(CCO1)c1ccc(\C=N\Nc2nc(cs2)-c2ccccc2)cc1
Fc1ccc(-c2csc(N\N=C\c3ccc(cc3)N3CCOCC3)n2)c(F)c1
C1CCN(C1)c1ccc(\C=N\Nc2nc(cs2)-c2ccccc2)cc1
Cc1ccc(cc1)-c1csc(N\N=C\c2ccc(cc2)N2CCCC2)n1
N#Cc1ccc(cc1)-c1csc(N\N=C\c2ccc(cc2)N2CCCC2)n1
Brc1ccc(cc1)-c1csc(N\N=C\c2ccc(cc2)N2CCCC2)n1
Clc1ccc(cc1)-c1csc(N\N=C\c2ccc(cc2)N2CCCC2)n1
Fc1ccc(cc1)-c1csc(N\N=C\c2ccc(cc2)N2CCCC2)n1
Clc1ccc(-c2csc(N\N=C\c3ccc(cc3)N3CCCC3)n2)c(Cl)c1
Fc1ccc(-c2csc(N\N=C\c3ccc(cc3)N3CCCC3)n2)c(F)c1
Fc1ccc(cc1)-c1csc(N\N=C\c2ccc(cc2)N2CCOCC2)n1
Clc1ccc(-c2csc(N\N=C\c3ccc(cc3)N3CCOCC3)n2)c(Cl)c1
C#CCNC1CCc2c1cccc2OCc1ccccc1
Clc1cccc(COc2cccc3C(CCc23)NCC#C)c1
Fc1cccc(COc2cccc3C(CCc23)NCC#C)c1
C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Brc1cccc(COc2cccc3C(CCc23)NCC#C)c1
Cc1cccc(COc2cccc3C(CCc23)NCC#C)c1
Fc1ccc(COc2cccc3C(CCc23)NCC#C)cc1
Cc1ccc(COc2cccc3C(CCc23)NCC#C)cc1
FC(F)(F)c1ccc(COc2cccc3C(CCc23)NCC#C)cc1
Fc1ccc(COc2cccc3C(CCc23)NCC#C)cc1F
C#CCNC1CCc2c1cccc2OCCc1ccccc1
Clc1ccc(CCOc2cccc3C(CCc23)NCC#C)cc1
Clc1cccc(CCOc2cccc3C(CCc23)NCC#C)c1
Clc1ccc(cc1)C(=O)Nc1cccc(CCOc2cccc3C(CCc23)NCC#C)c1
C#CCNC1CCc2c1cccc2SCc1ccccc1
C#CCNC1CCc2c1cccc2OCCOc1ccccc1
C#CCNC1CCc2c1cccc2OCCOc1cccc2ccccc12
CC(=O)Nc1cccc(OCCOc2cccc3C(CCc23)NCC#C)c1
ClCC(=O)Nc1cccc(OCCOc2cccc3C(CCc23)NCC#C)c1
C#CCNC1CCc2c1cccc2OCCCOc1ccccc1
Ic1cccc(OCCCOc2cccc3C(CCc23)NCC#C)c1
CCc1ccc(OCCCOc2cccc3C(CCc23)NCC#C)cc1
CC(C)c1ccc(OCCCOc2cccc3C(CCc23)NCC#C)cc1
C#CCNC1CCc2c1cccc2OCCCOc1cccc2ccccc12
Cc1cc(OCCCOc2cccc3C(CCc23)NCC#C)cc(C)c1Cl
C#CCNC1CCc2c1cccc2OCc1ccc2ccccc2c1
COc1cc(cc(OC)c1OC)C(=O)\C=C\c1cc(O)c(O)c(c1)[N+]([O-])=O
CC(C)C(=O)c1ccc(O)c(O)c1
Oc1cc(\C=C\C(=O)c2ccccc2)cc(c1O)[N+]([O-])=O
CN1CCC2C(C1)=Cc1ccccc21 |c:7|
CN1CCc2c(C1)[nH]c1ccccc21
CN1CCC2=C(Cc3ccccc23)C1 |t:4|
Oc1ccc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1
S=C(Nc1ccc2[nH]ccc2c1)Nc1cccc2cnccc12
S=C(Nc1ccccc1)Nc1ccc2[nH]ccc2c1
Oc1ccccc1NC(=S)Nc1ccc2[nH]ccc2c1
COc1ccc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1
Brc1ccc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1
CC(=O)Nc1ccc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1
Oc1ccc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1Cl
Cc1ccc(NC(=S)Nc2ccc3[nH]ccc3c2)c(O)c1
Oc1cc(Cl)ccc1NC(=S)Nc1ccc2[nH]ccc2c1
COC(=O)c1cc(NC(=S)Nc2ccc3[nH]ccc3c2)ccc1O
Oc1c(Cl)cc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1Cl
Oc1ccc(\C=N\c2ccc(OCc3ccccc3)cc2)c(O)c1
Cc1cccc(\C=N\c2ccc(OCc3ccccc3)cc2)c1O
COc1ccc(\C=N\c2ccc(OCc3ccccc3)cc2)c(O)c1
Oc1ccc(Cl)cc1\C=N\c1ccc(OCc2ccccc2)cc1
Oc1ccccc1\C=N\c1ccc(OCc2ccccc2)cc1
Oc1cccc(\C=N\c2ccc(OCc3ccccc3)cc2)c1O
Oc1ccc(O)c(\C=N\c2ccc(OCc3ccccc3)cc2)c1
Oc1ccc(\C=N\c2ccc(OCc3ccccc3)cc2)c(O)c1O
Oc1cc(O)c(\C=N\c2ccc(OCc3ccccc3)cc2)c(O)c1
Cc1ccc(\C=N\c2ccc(OCc3ccccc3)cc2)c(O)c1
Cc1ccc(O)c(\C=N\c2ccc(OCc3ccccc3)cc2)c1
COc1cccc(\C=N\c2ccc(OCc3ccccc3)cc2)c1O
COc1ccc(O)c(\C=N\c2ccc(OCc3ccccc3)cc2)c1
Oc1ccc(F)cc1\C=N\c1ccc(OCc2ccccc2)cc1
Oc1ccc(Br)cc1\C=N\c1ccc(OCc2ccccc2)cc1
Oc1c(Br)cc(Br)cc1\C=N\c1ccc(OCc2ccccc2)cc1
Oc1ccc(cc1\C=N\c1ccc(OCc2ccccc2)cc1)[N+]([O-])=O
Oc1ccc2ccccc2c1\C=N\c1ccc(OCc2ccccc2)cc1
NCCc1ccc(cc1)-c1cccc(F)c1
NCCc1ccc(OCc2cccc(c2)C(F)(F)F)cc1
NCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
NCCc1ccc(cc1)-c1ccc(Cl)cc1
NCCc1ccc(cc1)-c1ccccc1Cl
NCCc1ccc(cc1)-c1ccc(F)cc1
NCCc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
NCCc1ccc(cc1)-c1cccc(c1)C(F)(F)F
COc1ccc(cc1)-c1ccc(CCN)cc1
COc1cccc(c1)-c1ccc(CCN)cc1
NC(=O)c1ccc(OCc2ccc(F)cc2)cc1
NC(=O)c1ccc(OCc2ccccc2F)cc1
NC(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1
COc1cccc(COc2ccc(CCN)cc2)c1
NCCc1ccc(OCc2cccc(Cl)c2)cc1
NCCc1ccc(OCc2ccccc2Cl)cc1
NCCc1ccc(OCc2ccc(F)cc2)cc1
NCCc1ccc(OCc2ccccc2F)cc1
NCCc1ccc(OCc2ccccc2C(F)(F)F)cc1
Nc1ccc(OCc2cccc(F)c2)cc1
Nc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Nc1ccc(OCc2cccc(c2)C(F)(F)F)cc1
COc1cccc(COc2ccc(CN)cc2)c1
NCc1ccc(OCc2cccc(Cl)c2)cc1
NCc1ccc(OCc2ccc(F)cc2)cc1
NCc1ccc(OCc2cccc(c2)C(F)(F)F)cc1
NCc1ccc(OCc2ccccc2C(F)(F)F)cc1
NCc1ccc(OCc2ccccc2)cc1
NCc1ccc(OCc2ccccc2F)cc1
NCCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
NCCc1ccc(cc1)-c1cccc(Cl)c1
COc1ccc(CN[C@@H](C)C(N)=O)cc1
NC(=O)c1ccc(OCc2cccc(c2)C(F)(F)F)cc1
NCc1ccc(OCc2ccc(Cl)cc2)cc1
NCCc1ccc(cc1)-c1ccccc1F
CC(=O)N[C@@H]1CN(C(=O)C1)c1ccc(OCc2cccc(F)c2)cc1 |r|
NC(=O)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
NCCc1ccc(OCc2ccc(Cl)cc2)cc1
NCCc1ccc(OCc2cccc(F)c2)cc1
Nc1ccc(OCc2ccccc2F)cc1
COc1ccc(COc2ccc(CN)cc2)cc1
NCc1ccc(OCc2cccc(F)c2)cc1
NC(=O)c1ccc(OCc2cccc(F)c2)cc1
Nc1ccc(OCc2ccc(F)cc2)cc1
Nc1ccc(OCc2ccccc2C(F)(F)F)cc1
C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN[C@@H]1C[C@H]1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)C(O)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)C(O)=O |r|
Clc1cccc(NCc2coc3ccccc3c2=O)c1
c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)F
c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)Cl
Cc1ccc(cc1C)NC(=O)C2=COc3ccccc3C2=O
Brc1cccc(NC(=O)c2coc3ccccc3c2=O)c1
Oc1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1
Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
COc1ccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
O=c1ccc2ccc(OCCCN(CC#C)Cc3ccccc3)cc2o1
Cc1ccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
CC(C)c1ccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
COc1cccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)c1
Fc1cccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)c1
Fc1ccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)cc1F
COc1cccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)c1
Fc1cccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)c1
Fc1ccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1F
CC(C)c1ccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
COc1ccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
Fc1ccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1F
CN(CCOc1ccc2ccc(=O)oc2c1)CC#C
CN(CCCCOc1ccc2ccc(=O)oc2c1)CC#C
O=c1ccc2ccc(OCCN(CC#C)Cc3ccccc3)cc2o1
O=c1ccc2ccc(OCCCCN(CC#C)Cc3ccccc3)cc2o1
CN(CCCOc1ccc2ccc(=O)oc2c1)CC#C
COc1ccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
Cc1ccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
Cc1ccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
COc1cccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)c1
CC(C)c1ccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
Fc1cccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)c1
Cc1cccc2cc(-c3ccc(Br)nn3)c(=O)oc12
Cc1ccc2oc(=O)c(cc2c1)-c1ccc(Br)nn1
COc1ccc(nn1)-c1cc2cccc(C)c2oc1=O
COc1ccc2oc(=O)c(cc2c1)-c1ccc(Br)nn1
COc1cccc2cc(-c3ccc(Br)nn3)c(=O)oc12
Cc1ccc2oc(=O)c(cc2c1)-c1ccc(Cl)nn1
COc1ccc2oc(=O)c(cc2c1)-c1ccc(Cl)nn1
COc1ccc2cc(-c3ccc(Cl)nn3)c(=O)oc2c1
COc1ccc(nn1)-c1cc2cc(C)ccc2oc1=O
COc1ccc2oc(=O)c(cc2c1)-c1ccc(OC)nn1
Cc1ccc2cc(-c3ccc(Cl)nn3)c(=O)oc2c1
COc1ccc2cc(-c3ccc(Br)nn3)c(=O)oc2c1
Cc1cccc2cc(-c3ccc(Cl)nn3)c(=O)oc12
COc1ccc(nn1)-c1cc2ccc(C)cc2oc1=O
Cc1ccc2cc(-c3ccc(Br)nn3)c(=O)oc2c1
COc1cccc2cc(-c3ccc(Cl)nn3)c(=O)oc12
Cc1ccc(C[n+]2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1
Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccccc4F)cc3)ccc12
Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccc(F)cc4)cc3)ccc12
Cc1cccc(C[n+]2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)c1
Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccccc4Br)cc3)ccc12
Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccc(Br)cc4)cc3)ccc12
Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc(c4)[N+]([O-])=O)cc3)ccc12
Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc(F)c4)cc3)ccc12
Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccc(cc4)[N+]([O-])=O)cc3)ccc12
Cc1ccccc1C[n+]1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1
Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc(Br)c4)cc3)ccc12
CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N[C@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O |r|
O=C(C1CC1)c1ccc(OCCCc2c[nH]cn2)cc1
O=C(C1CC1)c1ccc(OCCCN2CCCCC2)cc1
Brc1ccc(COc2ccc3C\C(=C/c4ccc(OCCCN5CCCCC5)cc4)C(=O)c3c2)cc1
Brc1ccc(COc2ccc3C(=O)\C(Cc3c2)=C\c2ccc(OCCCN3CCCCC3)cc2)cc1
Fc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(OCCCN2CCCCC2)cc1
CN1CCC\C(C1)=C\c1ccccc1
CN1CCC\C(C1)=C/c1ccccc1
CN(C)C\C=C\c1ccccc1
C\C=C(/C)c1ccccc1
NC1CCCCC1Cc1ccccc1
NC1CCCC(=C1)c1ccccc1 |c:5|
CN(C)C1CCCC(=C1)c1ccccc1 |c:7|
CN(C)C1CCCCC1Cc1ccccc1
CN(C)C\C=C(/C)c1ccccc1
Clc1cccc(CN2CCN(c3ccc(cc3)-c3ccccc3)C(=O)C(CCCCN[C@@H]3C[C@H]3c3ccccc3)C2=O)c1 |r|
Clc1cccc(CNC(=O)[C@H](CCCCN[C@@H]2C[C@H]2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)c1 |r|
COc1cc2sn(CCCCN(C)Cc3ccccc3)c(=O)c2cc1OC
CCN(CCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccccc1
CCN(CCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccc(cc1)N(C)C
COc1cc2sn(CCCCCCN(C)Cc3ccccc3)c(=O)c2cc1OC
COc1ccccc1CN(C)CCCCCCn1sc2cc(OC)c(OC)cc2c1=O
CCN(CCCCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccccc1
CCN(CCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccccc1OC
CCN(CCCCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccc(cc1)N(C)C
COc1ccccc1CN(C)CCCCn1sc2cc(OC)c(OC)cc2c1=O
CCN(CCCCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccccc1N(C)C
C[C@H](Cc1ccc(OCc2cc(Cl)ccc2Cl)cc1)N(C)CC(O)=O |r|
C[C@H](Cc1ccc(OCc2cccc(Cl)c2)cc1)N(C)CC(O)=O |r|
C[C@H](Cc1ccc(OCc2ccc(Br)c(Cl)c2)cc1)N(C)CC(O)=O |r|
C[C@H](Cc1ccc(OCc2cccc(c2)C#N)cc1)N(C)CC(O)=O |r|
C[C@H](Cc1ccc(OCc2ccccc2)cc1)N(C)CC(O)=O |r|
C[C@H](Cc1ccc(OCc2cc(F)cc(F)c2)cc1)N(C)CC(O)=O |r|
CN(CC(O)=O)[C@H](COCc1ccccc1)Cc1ccc(OCc2ccccc2)cc1 |r|
C[C@H](Cc1ccc(OCc2ccc3ccccc3c2)cc1)N(C)CC(O)=O |r|
CN(CC(O)=O)[C@H](CC#N)Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 |r|
CN(CC(O)=O)[C@H](CC#N)Cc1ccc(OCc2ccccc2)cc1 |r|
CN(CC(O)=O)[C@H](CO)Cc1ccc(OCc2ccccc2)cc1 |r|
COC(=O)C[C@H](Cc1ccc(OCc2ccccc2)cc1)N(C)CC(O)=O |r|
C[C@H](Cc1ccc(OCc2cccnc2)cc1)N(C)CC(O)=O |r|
C[C@H](Cc1ccc(OCc2ccncc2)cc1)N(C)CC(O)=O |r|
C[C@H](Cc1ccc(OCc2ccccn2)cc1)N(C)CC(O)=O |r|
COc1cccc(COc2ccc(C[C@@H](C)N(C)CC(O)=O)cc2)c1 |r|
C[C@H](Cc1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1)N(C)CC(O)=O |r|
C[C@H](Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)N(C)CC(O)=O |r|
C[C@H](Cc1ccc(OCc2cccc(F)c2)cc1)N(C)CC(O)=O |r|
C[C@H](Cc1ccc(OCc2ccc(cc2)C#N)cc1)N(C)CC(O)=O |r|
C[C@H](Cc1ccc(OCc2ccccc2C#N)cc1)N(C)CC(O)=O |r|
C[C@H](Cc1ccc(OCc2ccc(Cl)cc2)cc1)N(C)CC(O)=O |r|
C[C@H](Cc1ccc(OCc2ccccc2Cl)cc1)N(C)CC(O)=O |r|
C[C@H](Cc1ccc(OCc2ccccc2)cc1)N(C)CC#C |r|
COC(=O)c1ccc(COc2ccc(C[C@@H](C)N(C)CC(O)=O)cc2)cc1 |r|
COC(=O)C[C@H](Cc1ccc(OCc2cccc(Cl)c2)cc1)N(C)CC(O)=O |r|
NCCCNC(=O)c1ccc(Cl)cn1
NCNC(=O)c1ccc(Cl)cc1
NCCCNC(=O)c1ccc(Cl)cc1
Clc1ccc(nc1)C(=O)NCCBr
Clc1ccc(cc1)C(=O)NCCCBr
NCCNC(=O)c1ccc(Cl)cc1
OCCCNC(=O)c1ccc(Cl)cc1
OCNC(=O)c1ccc(Cl)cn1
Clc1ccc(nc1)C(=O)NCBr
Clc1ccc(nc1)C(=O)NCCCBr
OCCCNC(=O)c1ccc(Cl)cn1
OCCNC(=O)c1ccc(Cl)cn1
Clc1ccc(cc1)C(=O)NCBr
c1cc(ccc1C(=O)NCCO)Cl
OCNC(=O)c1ccc(Cl)cc1
NCNC(=O)c1ccc(Cl)cn1
Clc1ccc(cc1)C(=O)NCCBr
Oc1ccc(C=C2C(=O)NC(=S)N(C2=O)c2ccc(Br)cc2)cc1O
C[C@@H]1[C@H](NCc2ccc(Cl)cc2)[C@H]1c1ccccc1 |r|
C[C@@H]1[C@H](NCc2cccc(c2)[N+]([O-])=O)[C@H]1c1ccccc1 |r|
[O-][N+](=O)c1cccc(CN[C@H]2C[C@@H]2c2ccccc2)c1 |r|
C[C@@H]1[C@H](NCc2ccc(Cl)cc2Cl)[C@H]1c1ccccc1 |r|
Clc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
NC(=O)c1cccc(CN[C@H]2C[C@@H]2c2ccccc2)c1 |r|
C#CCNc1nc(NCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N
CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Clc1ccc(nc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Cc1ccc(NC(=O)c2coc3ccc(\C=C\C(O)=O)cc3c2=O)cc1C
CN(C)CCOC(=O)\C=C\c1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1
OC(=O)\C=C\c1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1
CN(C)CCOC(=O)\C=C\c1ccc2occ(C(=O)Nc3ccc(C)c(C)c3)c(=O)c2c1
CN(C)CCOC(=O)\C=C\c1ccc2occ(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1
CN(C)CCOC(=O)\C=C\c1ccc2occ(C(=O)Nc3ccc(Cl)cc3)c(=O)c2c1
CCN(CC)CCOC(=O)\C=C\c1ccc2oc(cc(=O)c2c1)C(=O)Nc1ccc(C)c(C)c1
CN(C)CCOC(=O)\C=C\c1ccc2oc(cc(=O)c2c1)C(=O)Nc1ccccc1
CN(C)CCOC(=O)\C=C\c1ccc2oc(cc(=O)c2c1)C(=O)Nc1ccc(C)cc1
CN(C)CCOC(=O)\C=C\c1ccc2occ(C(=O)Nc3ccc(C)cc3)c(=O)c2c1
CCN(CC)CCOC(=O)\C=C\c1ccc2occ(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1
Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
[O-][N+](=O)c1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCCC1CCN(Cc2ccccc2)CC1
COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCCC1CCN(Cc2ccccc2)CC1
COc1ccc2c(c1)[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1cccc2c1[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Oc1cccc2c1[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Nc1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1ccc2[nH]c(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Oc1cc2oc(cc(=O)c2cc1O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1ccc2c(c1)oc(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1cc2[nH]c(cc(=O)c2cc1OC)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1ccc2oc(cc(=O)c2c1)C(=O)NCCCC1CCN(Cc2ccccc2)CC1
Oc1ccc2[nH]c(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CC(C)(C)c1cc(CCC(=O)NC2CCN(Cc3ccccc3)CC2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3cccc(F)c3)CC2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CC(C)(C)c1cc(CCC(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(\C=C\C(=O)NC2CCN(Cc3ccccc3)CC2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(c1O)C(C)(C)C
COc1ccc(CN2CCC(CCNC(=O)\C=C\c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)CC2)cc1
Cc1ccccc1CN1CCC(CCNC(=O)\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)CC1
CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3F)CC2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccc(F)cc3)CC2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3Cl)CC2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3cccc(Cl)c3)CC2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccc(Br)cc3)CC2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(\C=C\C(=O)NCC2CCN(Cc3ccccc3)CC2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccc(F)c(F)c3)CC2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CNCCC1CCN(Cc2ccccc2)CC1
CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3cccc(c3)[N+]([O-])=O)CC2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(CCC(=O)NCC2CCN(Cc3ccccc3)CC2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CNC1CCN(Cc2ccccc2)CC1
Cc1ccc(CN2CCC(CCNC(=O)\C=C\c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)CC2)cc1
CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccc(F)cc3F)CC2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccc(cc3)C#N)CC2)cc(c1O)C(C)(C)C
C1CC1N1CCC(=CC1)c1ccccc1 |c:7|
C1CC1N1CCC(=CC1)c1ccc2ccccc2c1 |c:7|
C1CC1N1CCC(=CC1)c1cccc(c1)-c1ccccc1 |c:7|
C1CC1N1CCC(=CC1)c1cccc2ccccc12 |c:7|
O=C(NCCCCCCNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O
O=C(Nc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1)c1cc2ccccc2oc1=O
O=C(NCCCCNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O
O=C(Nc1ccccc1NC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O
O=C(NCCNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O
O=C(N[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O
COc1ccc2cc(C(=O)NCCCCNC(=O)c3cc4ccc(OC)cc4oc3=O)c(=O)oc2c1
Cc1csc(N\N=C\c2ccccc2)n1
CC1CCCC\C1=N/Nc1nc(cs1)-c1ccccc1
Cc1ccc(\C=N\c2nc(cs2)-c2ccccc2)cc1
COc1ccc(\C=N\Nc2nc(C)cs2)cc1
Cc1csc(\N=C\c2ccccc2C)n1
Cc1ccccc1\C=N\c1nc(cs1)-c1ccccc1
Cc1csc(N\N=C\c2ccc(Cl)cc2Cl)n1
Cc1csc(N\N=C\c2ccc(Cl)cc2)n1
COc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2)cc1
N(\N=C\c1ccccc1)c1nc(cs1)-c1ccccc1
[#6]-1-[#6]-[#6]\[#6](-[#6]-1)=[#7]/[#7]-c1nc(cs1)-c1ccccc1
[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#7]-c1nc(cs1)-c1ccccc1
Clc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2)c(Cl)c1
COc1ccc(\C=N\Nc2nc(C)cs2)cc1OC
[#6]-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#7]-c1nc(cs1)-c1ccccc1
Clc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2)cc1
COc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2)cc1OC
Cc1csc(\N=C\c2ccc(C)cc2)n1
Cc1ccc(cc1)-c1cc(ccc1S(C)(=O)=O)S(=O)(=O)c1ccc(CN)s1
OCCn1nnc(n1)-c1ccc(OCc2ccccc2I)cc1
Ic1ccccc1COc1ccc(cc1)-c1nnn(CCC#N)n1
N#CCCn1nnc(n1)-c1ccncc1
Fc1ccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)cc1
Cc1cccc(COc2ccc(cc2)-c2nnn(CCO)n2)c1
OCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
COc1cccc(COc2ccc(cc2)-c2nnn(CCO)n2)c1
N#CCCn1nnc(n1)-c1ccc(OCc2ccccc2)cc1
[O-][N+](=O)c1ccc(cc1)-c1nnn(CCC#N)n1
OCCn1nnc(n1)-c1ccc(cc1)[N+]([O-])=O
OCCn1nnc(n1)-c1ccc(OCc2ccccc2)cc1
OCCn1nnc(n1)-c1ccncc1
Cc1ccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)cc1
OCCn1nnc(n1)-c1ccc(OCc2cccc(Cl)c2)cc1
Clc1ccccc1COc1ccc(cc1)-c1nnn(CCC#N)n1
N#CCCn1nnc(n1)-c1ccccc1
OCCn1nnc(n1)-c1ccc(Cl)cc1
OCCn1nnc(n1)-c1ccc(OCc2ccc(Cl)cc2)cc1
Clc1ccc(cc1)-c1nnn(CCC#N)n1
COc1ccc(cc1)-c1nnn(CCC#N)n1
O=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
OCCn1nnc(n1)-c1ccc(OCc2ccccc2Cl)cc1
N#CCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
OCCCCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
Cc1cccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)c1
OCCn1nnc(n1)-c1ccccc1
Cc1ccc(COc2ccc(cc2)-c2nnn(CCO)n2)cc1
N#CCCCCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
Cc1ccccc1COc1ccc(cc1)-c1nnn(CCO)n1
OCCn1nc(oc1=O)-c1ccc(OCc2ccccc2)cc1
Clc1ccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)cc1
COc1ccc(cc1)-c1nnn(CCO)n1
OCCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
Clc1cccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)c1
COc1ccc2c3CCN=C(C)c3[nH]c2c1 |t:9|
OCCn1nnc(n1)-c1ccc(OCc2ccc(F)cc2)cc1
N#CCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
COc1ccc(COc2ccc(cc2)-c2nnn(CCO)n2)cc1
S=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
N#CCCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
COc1ccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)cc1
COc1cccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)c1
OCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
Cc1ccccc1COc1ccc(cc1)-c1nnn(CCC#N)n1
CC(C)(C)OC(=O)NCCCCCCNCC(N)=O
NCCCCCCNCC(N)=O
Clc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
Cc1nnc2-c3ccccc3C(=O)c2c1-c1ccccc1
O=C1c2ccccc2-c2nnc(cc12)-c1cccs1
[O-][N+](=O)c1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
CC(=O)c1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
O=C(c1ccccc1)c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc3CCCCc3c12
FC(F)(F)c1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
Cc1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc(cc12)-c1cccc2ccccc12
O=C1c2ccccc2-c2nnc(-c3ccccc3)c(Cc3ccccc3)c12
Brc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
Fc1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
Cc1nnc2-c3ccccc3C(=O)c2c1Cc1ccccc1
O=C1c2ccccc2-c2nnc(CCc3ccccc3)cc12
Clc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc3ccccc3c12
Fc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
FC(F)(F)c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc(cc12)-c1ccc(cc1)C#N
Clc1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
Fc1ccc(cc1F)-c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc3CCc4ccccc4-c3c12
COc1ccc-2c(c1)C(=O)c1cc(nnc-21)-c1cccc(c1)C(F)(F)F
O=C1c2ccccc2-c2nnc(cc12)-c1ccccn1
Oc1ccc-2c(c1)C(=O)c1cc(nnc-21)-c1cccc(c1)C(F)(F)F
O=C1c2ccccc2-c2nnc(cc12)-c1ccc2ccccc2c1
COc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
O=C(c1ccccc1)c1c2C(=O)c3ccccc3-c2nnc1-c1ccccc1
COc1cc(ccc1O)-c1cc2C(=O)c3ccccc3-c2nn1
CCCCOc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
Nc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc(Cc3ccccc3)cc12
Oc1c2ccccc2c2n[nH]c3c(ccc4ccccc34)c12
O=C1c2ccccc2-c2nnc-3c(CCc4ccccc-34)c12
[O-][N+](=O)c1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc(\C=C\c3ccccc3)cc12
Cc1c2C(=O)c3ccccc3-c2nnc1-c1ccccc1
Fc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
COc1ccc(cc1OC)-c1cc2C(=O)c3ccccc3-c2nn1
FC(F)(F)c1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
Oc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
Nc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nncc(Cc3ccccc3)c12
Brc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc(cc12)-c1ccco1
Oc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
[O-][N+](=O)c1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
OC(=O)CCc1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc(cc12)-c1ccc(cc1)N1CCCCC1
FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1cc2C(=O)c3ccccc3-c2nn1
FC(F)(F)c1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc(cc12)-c1cccnc1
OC(=O)c1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
Clc1cc(Cl)cc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnccc12
CC(=O)Nc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
Oc1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
CCOC(=O)c1c2C(=O)c3ccccc3-c2nnc1-c1ccccc1
COc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc(cc12)-c1cccc(c1)C#N
COc1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
OCc1coc2ccccc2c1=O
OCc1cc(=O)c2ccccc2o1
CCOC(=O)c1cc(=O)c2cc(Cl)ccc2o1
OC(=O)c1cc(=O)c2cc(Cl)ccc2o1
CCCOC(=O)c1cc(=O)c2ccccc2o1
Oc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1O
CCCOC(=O)c1coc2ccccc2c1=O
CCOC(=O)c1cc(=O)c2ccccc2o1
CN(C(=O)c1cc(=O)c2ccccc2o1)c1ccccc1
OC(=O)c1coc2ccc(Cl)cc2c1=O
CCOC(=O)c1coc2ccccc2c1=O
Oc1cc2O\C(=C/c3ccc(cc3)N3CCCCC3)C(=O)c2c(O)c1
COc1cc2O\C(=C/c3ccc(cc3)N(C)C)C(=O)c2c(O)c1
COc1cc2O\C(=C/c3ccc(cc3)N3CCCCC3)C(=O)c2c(O)c1
O=C(Nc1cc2ccccc2oc1=O)OCc1ccccc1
CC(C)OC(=O)Nc1cc2ccccc2oc1=O
CC(C)COC(=O)Nc1cc2ccccc2oc1=O
CCOC(=O)Nc1cc2ccccc2oc1=O
O=C(Nc1cc2ccccc2oc1=O)Oc1ccccc1
BrCCOC(=O)Nc1cc2ccccc2oc1=O
[#6]-[#8]-c1c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])ccc2ccc(=O)oc12
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2ccc(=O)oc2c1
C\C(CC[C@@H](O)C(C)=C)=C/COc1ccc2ccc(=O)oc2c1 |r|
ClC(=O)c1cc2cc(Cl)ccc2oc1=O
OC(=O)c1cc2ccccc2oc1=O
Cc1c(C)c(=O)oc2cc(OCc3ccc(F)c(F)c3)ccc12
Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)O
CC1(C)OC(\C=C\COc2ccc3ccc(=O)oc3c2)=CC1=O |c:21|
COc1cccc(\C=C\C(=O)Nc2nc3ccccc3c(=O)s2)c1
Cc1sc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1C
O=C(CCCc1ccccc1)Nc1nc2ccsc2c(=O)s1
Cc1ccc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1
CN(C(=O)CCCc1ccccc1)c1nc2ccccc2c(=O)s1
Clc1ccccc1CN1CCN(CC1)C(=O)c1ccc(cc1)C(=O)Nc1nc2ccccc2c(=O)s1
Clc1cccc(\C=C\CC(=O)Nc2nc3ccccc3c(=O)s2)c1
Clc1ccc(CCCC(=O)Nc2nc3ccccc3c(=O)s2)cc1Cl
Clc1cccc(CCCC(=O)Nc2nc3ccccc3c(=O)s2)c1
COc1cccc(c1)C#CC(=O)Nc1nc2ccccc2c(=O)s1
Clc1cccc(\C=C\C(=O)Nc2nc3ccccc3c(=O)s2)c1
Clc1ccc(CCC(=O)Nc2nc3ccccc3c(=O)s2)cc1Cl
O=C(CCCc1ccccc1)Nc1nc2sccc2c(=O)s1
Clc1ccc2c(c1)nc(NC(=O)CCCc1ccccc1)sc2=O
Clc1ccc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1
COc1cccc(\C=C\CC(=O)Nc2nc3ccccc3c(=O)s2)c1
COc1cccc(CCCC(=O)Nc2nc3ccccc3c(=O)s2)c1
O=C(CCCc1ccccc1)Nc1nc2ccccc2c(=O)s1
Brc1ccccc1CCC(=O)Nc1nc2ccccc2c(=O)s1
Fc1ccccc1CCC(=O)Nc1nc2ccccc2c(=O)s1
O=C(CCc1ccccc1)Nc1nc2ccccc2c(=O)s1
Clc1cccc(OCC(=O)Nc2nc3ccccc3c(=O)s2)c1
Brc1ccc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1
Clc1ccc(\C=C\CC(=O)Nc2nc3ccccc3c(=O)s2)cc1Cl
COc1cccc(CCC(=O)Nc2nc3ccccc3c(=O)s2)c1
O=C(Nc1nc2ccccc2c(=O)s1)c1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)CC1
Clc1ccc(CN2CCN(CC2)C(=O)c2ccc(cc2)C(=O)Nc2nc3ccccc3c(=O)s2)cc1
O=C(C\C=C\c1ccccc1)Nc1nc2ccccc2c(=O)s1
Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
O=C(Nc1nc2ccccc2c(=O)s1)c1ccccc1
Clc1cccc(CN2CCN(CC2)C(=O)c2ccc(cc2)C(=O)Nc2nc3ccccc3c(=O)s2)c1
FC(F)(F)c1ccc(COc2ccc3COC(=O)c3c2)cc1
O=C1OCc2ccc(OCC3CCCCC3)cc12
O=C1OCc2ccc(OCCOc3ccccc3)cc12
O=C1OCc2ccc(OCCCc3ccccc3)cc12
Clc1ccc(CCOc2ccc3COC(=O)c3c2)cc1
Brc1cccc(COc2ccc3COC(=O)c3c2)c1
Ic1ccc(COc2ccc3COC(=O)c3c2)cc1
Brc1ccc(COc2ccc3COC(=O)c3c2)cc1
O=C1OCc2ccc(OCc3ccccc3)cc12
O=C1OCc2ccc(OCCc3ccccc3)cc12
O=C1OCc2ccccc12
Clc1ccc(OCCOc2ccc3COC(=O)c3c2)cc1
Fc1ccc(COc2ccc3COC(=O)c3c2)cc1
Brc1ccc(OCCOc2ccc3COC(=O)c3c2)cc1
Fc1ccc(CCOc2ccc3COC(=O)c3c2)cc1
Cc1ccc(COc2ccc3COC(=O)c3c2)cc1
Clc1ccc(COc2ccc3COC(=O)c3c2)cc1
Fc1ccc(OCCOc2ccc3COC(=O)c3c2)cc1
Cc1ccc(CCOc2ccc3COC(=O)c3c2)cc1
C\C(=N\Nc1nc(cs1)-c1ccccc1)c1ccncc1
C\C(=N/Nc1nc(cs1)-c1ccccc1)c1cccnc1
C\C(=N/Nc1nc(cs1)-c1ccccc1)c1ccccn1
CCOC(=O)c1csc(N\N=C(/C)c2cccnc2)n1
CCOC(=O)c1csc(N\N=C(/C)c2ccncc2)n1
C\C(=N/Nc1nc(C)cs1)c1cccnc1
Cc1ccc(o1)C(=O)\C=C\c1ccc(Cl)cc1
Clc1cccc(c1)C(=O)\C=C\c1ccc(Br)o1
COc1cccc(\C=C\C(=O)c2ccc(C)o2)c1
Cc1ccc(o1)C(=O)\C=C\c1ccc(cc1)C(F)(F)F
Cc1ccc(o1)C(=O)\C=C\c1ccc(F)cc1
Cc1ccc(o1)C(=O)\C=C\c1cccc(F)c1
Cc1ccc(o1)C(=O)\C=C\c1ccc(Br)cc1
Cc1ccc(o1)C(=O)\C=C\c1cccc(Cl)c1
c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O
Clc1ccc(\C=C\C(=O)c2cccc(Cl)c2)o1
Cc1ccc(o1)C(=O)\C=C\c1ccc(F)c(Br)c1
Clc1cccc(\C=C\C(=O)c2ccco2)c1
Cc1ccc(\C=C\C(=O)c2cccc(Cl)c2)o1
COc1cccc(\C=C\C(=O)c2ccco2)c1
Fc1ccc(cc1)C(=O)\C=C\c1ccc(Br)o1
Cc1ccc(o1)C(=O)\C=C\c1cccc(c1)C(F)(F)F
Cc1ccc(o1)C(=O)\C=C\c1cccc(Br)c1
Fc1ccc(cc1)C(=O)\C=C\c1ccco1
Clc1cccc(\C=C\C(=O)c2ccccc2)c1
CN1N=C(CC1c1cccc(Cl)c1)c1ccc(O)cc1O |c:2|
CN1N=C(CC1c1ccccc1C)c1ccc(O)cc1O |c:2|
CN1N=C(CC1c1ccccc1F)c1ccc(O)cc1O |c:2|
CN1N=C(CC1c1cccc(Cl)c1)c1ccc(O)cc1 |c:2|
CN1N=C(CC1c1ccc(C)cc1)c1ccc(O)cc1 |c:2|
CN1N=C(CC1c1ccccc1C)c1ccc(O)cc1 |c:2|
CN1N=C(CC1c1ccc(F)cc1)c1ccc(O)cc1 |c:2|
CN1N=C(CC1c1ccccc1F)c1ccc(O)cc1 |c:2|
CN1N=C(CC1c1cccc(Cl)c1)c1ccccc1 |c:2|
CN1N=C(CC1c1ccccc1Cl)c1ccccc1 |c:2|
CN1N=C(CC1c1ccc(F)cc1)c1ccccc1 |c:2|
CN1N=C(CC1c1cccc(F)c1)c1ccccc1 |c:2|
CN1N=C(CC1c1ccc(F)cc1)c1ccc(O)cc1O |c:2|
CN1N=C(CC1c1cccc(C)c1)c1ccccc1 |c:2|
CN1N=C(CC1c1ccccc1Cl)c1ccc(O)cc1 |c:2|
CN1N=C(CC1c1ccccc1)c1ccccc1 |c:2|
CN1N=C(CC1c1ccccc1Cl)c1ccc(O)cc1O |c:2|
CN1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:2|
CN1N=C(CC1c1ccc(Cl)cc1)c1ccc(O)cc1 |c:2|
CN1N=C(CC1c1cccc(C)c1)c1ccc(O)cc1 |c:2|
CN1N=C(CC1c1ccccc1)c1ccc(O)cc1 |c:2|
CN1N=C(CC1c1ccc(C)cc1)c1ccccc1 |c:2|
CN1N=C(CC1c1ccccc1F)c1ccccc1 |c:2|
CN1N=C(CC1c1cccc(F)c1)c1ccc(O)cc1 |c:2|
CN1N=C(CC1c1ccccc1C)c1ccccc1 |c:2|
CN1N=C(CC1c1ccc(Cl)cc1)c1ccc(O)cc1O |c:2|
Fc1ccccc1-c1nc2ccc(nc2o1)N1CCCCC1
Clc1ccc(cc1)-c1nc2ccc(nc2o1)N1CCCCC1
Clc1ccc(cc1)-c1nc2ccc(nc2s1)N1CCCCC1
Clc1ccccc1-c1nc2ccc(nc2s1)N1CCCCC1
Fc1ccc(cc1)-c1nc2ccc(nc2s1)N1CCCCC1
CC(=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
CC(=O)Nc1ccc2Nc3ccccc3S(=O)(=O)c2c1
CN1c2ccc(NC(C)=O)cc2S(=O)(=O)c2cc(NC(C)=O)ccc12
CC(=O)Nc1ccc2[nH]c(C)c(C)c2c1
Oc1ccc2NC(=O)CCc2c1
Clc1cccc(COc2ccc3NC(=O)CCc3c2)c1
Brc1cccc(COc2ccc3CCC(=O)Nc3c2)c1
O=C1CCc2ccc(OCCc3ccccc3)cc2N1
Brc1cccc(COc2ccc3NC(=O)CCc3c2)c1
O=C1CCc2cc(OCc3ccccc3)ccc2N1
O=C1CCc2cc(OCCc3ccccc3)ccc2N1
O=C1CCc2ccc(OCc3ccccc3)cc2N1
O=C1CCc2cc(OCCCc3ccccc3)ccc2N1
Clc1cccc(COc2ccc3CCC(=O)Nc3c2)c1
O=C1CCc2ccc(OCCCc3ccccc3)cc2N1
Oc1ccccc1C1=NN(C(C1)c1ccccc1)C(=O)Oc1ccccc1 |t:8|
CCOC(=O)N1N=C(CC1c1ccccc1)c1ccccc1O |c:6|
Oc1ccccc1C1=NN(C(C1)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |t:8|
COc1ccc(cc1)C1CC(=NN1C(=O)Oc1ccccc1)c1ccccc1O |c:11|
Cc1ccc(cc1)C1CC(=NN1C(=O)Oc1ccccc1)c1ccccc1O |c:10|
CCOC(=O)N1N=C(CC1c1ccc(OC)cc1)c1ccccc1O |c:6|
CCOC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1O |c:6|
CCOC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccccc1O |c:6|
[2H]C([2H])(N[C@H]1[C@H](F)Cc2ccccc12)C#C |r|
F[C@H]1Cc2ccccc2[C@@H]1NCC#C |r|
NCCCNCCCCNCCCNCc1ccccc1
NCCCNCCCCNCCCNCc1cccs1
C(CCCCCCNCc1ccccc1)CCCCCNCc1ccccc1
CN(CCCCCCCCCCCCN=C=S)Cc1ccccc1
CCCn1c2nc3N(CC(=O)N4CCN(CC4)c4ccccc4)CCCn3c2c(=O)n(CCC)c1=O
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)c1ccc(Cl)c(Cl)c1
CCn1c2nc3N(CCc4cccc(OC)c4)CCCn3c2c(=O)n(CC)c1=O
Cn1c2nc3N(CC4CCCO4)CCCn3c2c(=O)n(CC#C)c1=O
Cn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CC#C)c1=O
Cn1c2nc3N(CC(=O)N4CCN(CC4)c4ccccc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Cl)c(Cl)c4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)c1ccc(Cl)cc1
CCn1c2nc3N(CCCn3c2c(=O)n(CC)c1=O)C1CCCCC1
CCn1c2nc3N(CCCn3c2c(=O)n(CC)c1=O)c1cccc(OC)c1
Cn1c2nc3N(CCCn3c2c(=O)n(CC#C)c1=O)C1CCN(Cc2ccccc2)CC1
COc1cc(CCN2CCCn3c2nc2n(C)c(=O)n(CC#C)c(=O)c32)cc(OC)c1OC
Cn1c2nc3N(Cc4cccs4)CCCn3c2c(=O)n(CC#C)c1=O
CC(C)c1ccc(cc1)N1CCCn2c1nc1n(C)c(=O)n(CC#C)c(=O)c21
COc1cccc(c1)N1CCCn2c1nc1n(C)c(=O)n(CC#C)c(=O)c21
CCCn1c2nc3N(CC(=O)N4CCN(Cc5ccc(cc5)C(F)(F)F)CC4)CCCn3c2c(=O)n(CCC)c1=O
CCCn1c2nc3N(CCC(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)CCCn3c2c(=O)n(CCC)c1=O
CCCn1c2nc3N(CC(=O)N4CCN(CC4)c4ccc(Cl)cc4)CCCn3c2c(=O)n(CCC)c1=O
COc1ccc(CN2CCN(CC2)C(=O)CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
Cn1c2nc3N(CC(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CC(=O)N4CCN(Cc5ccccc5)CC4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CC(=O)N4CCN(CC4)c4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4cc(Cl)cc(Cl)c4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4cccc(Cl)c4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)c1cc(Cl)cc(Cl)c1
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)c1cccc(Cl)c1
CCn1c2nc3N(CCN4CCCCC4)CCCn3c2c(=O)n(CC)c1=O
CCn1c2nc3N(CCc4ccc(OC)c(OC)c4)CCCn3c2c(=O)n(CC)c1=O
CCn1c2nc3N(CCc4ccccc4OC)CCCn3c2c(=O)n(CC)c1=O
CCn1c2nc3N(CCCn3c2c(=O)n(CC)c1=O)c1ccc(O)cc1
CCn1c2nc3N(CCCn3c2c(=O)n(CC)c1=O)c1ccc(F)cc1
Cn1c2nc3N(CC4CCCCC4)CCCn3c2c(=O)n(CC#C)c1=O
Cn1c2nc3N(CCCn3c2c(=O)n(CC#C)c1=O)C1CCC1
Cn1c2nc3N(CCc4cccs4)CCCn3c2c(=O)n(CC#C)c1=O
COc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(CC#C)c(=O)c32)cc1
Cn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(CC#C)c1=O
COc1ccc(CN2CCCn3c2nc2n(C)c(=O)n(CC#C)c(=O)c32)cc1
COc1ccccc1CN1CCCn2c1nc1n(C)c(=O)n(CC#C)c(=O)c21
COc1cc(OC)cc(c1)N1CCCn2c1nc1n(C)c(=O)n(CC#C)c(=O)c21
Cn1c2nc3N(CCCn3c2c(=O)n(CC#C)c1=O)c1ccc(F)cc1
Cn1cnc2n(C)c(=O)n(CC#C)c(=O)c12
CCCn1c2nc3N(CC(=O)N4CCN(Cc5ccccc5)CC4)CCCn3c2c(=O)n(CCC)c1=O
Cn1c2nc3N(CCc4cccc(Cl)c4)CCCn3c2c(=O)n(C)c1=O
CCn1c2nc3N(CCc4cc(OC)c(OC)c(OC)c4)CCCn3c2c(=O)n(CC)c1=O
Cn1c2nc3N(CCCn3c2c(=O)n(CC#C)c1=O)C1CCCCC1
COc1cccc(CN2CCCn3c2nc2n(C)c(=O)n(CC#C)c(=O)c32)c1
Cn1c2nc3N(CCc4ccc(Cl)c(Cl)c4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccccc4)CCCn3c2c(=O)n(CC#C)c1=O
CCCn1c2nc3N(CC(=O)N4CCN(Cc5ccc(OC)cc5)CC4)CCCn3c2c(=O)n(CCC)c1=O
Cn1c2nc3N(CCCn3c2c(=O)n(CC#C)c1=O)c1cccc(Br)c1
Cn1c2nc3N(CC(=O)N4CCN(Cc5ccc(cc5)C(F)(F)F)CC4)CCCn3c2c(=O)n(C)c1=O
CCCn1c2nc3N(CCC(=O)N4CCN(CC4)c4ccccc4)CCCn3c2c(=O)n(CCC)c1=O
CCn1c2nc3N(CCc4ccc(OC)cc4)CCCn3c2c(=O)n(CC)c1=O
Cn1c2nc3N(Cc4cccnc4)CCCn3c2c(=O)n(CC#C)c1=O
COc1cc(\C=C2/COc3ccccc3C2=O)cc(OC)c1OC
COc1cc(OC)cc(c1)C(=O)\C=C\C1=Cc2cc(Br)ccc2OC1 |t:15|
COc1cc(\C=C2/COc3ccccc3C2=O)ccc1O
CN(C)c1ccc(\C=C2/COc3ccccc3C2=O)cc1
Clc1ccc(CC2COc3ccccc3C2=O)cc1
O=C1C(Cc2ccccc2)COc2ccccc12
COc1cccc(\C=C2/COc3ccccc3C2=O)c1OC
Oc1ccc(\C=C2/COc3ccccc3C2=O)cc1O
Oc1ccc(\C=C2/COc3cc(O)cc(O)c3C2=O)cc1
O=C1\C(COc2ccccc12)=C\c1ccccc1
Nc1cc(\C=C2/COc3ccccc3C2=O)ccc1O
COc1ccc2OCC(\C=C\C(=O)c3ccccc3OC)=Cc2c1 |c:21|
COc1cccc(c1)C(=O)\C=C\C1=Cc2cc(Br)ccc2OC1 |t:13|
COc1ccc2OCC(=Cc2c1)C(=O)\C=C\c1cc(OC)cc(OC)c1 |c:8|
Clc1ccc(CC2COc3cc(Cl)cc(Cl)c3C2=O)cc1
Clc1ccc(CC2COc3ccc(Cl)cc3C2=O)cc1
COc1ccc(Cc2coc3ccccc3c2=O)cc1
Clc1ccc(Cc2coc3cc(Cl)cc(Cl)c3c2=O)cc1
COc1ccc(\C=C2/COc3ccccc3C2=O)c(OC)c1
COc1ccc(\C=C2/COc3ccccc3C2=O)c(O)c1
Oc1ccc(\C=C2/COc3ccccc3C2=O)cc1[N+]([O-])=O
COc1ccc(\C=C2/COc3ccccc3C2=O)cc1O
Nc1ccc(\C=C2/COc3ccccc3C2=O)cc1
Clc1ccc2OC\C(=C/c3ccccc3)C(=O)c2c1
COc1ccc(\C=C2/COc3ccccc3C2=O)cc1
Oc1ccc(\C=C2/COc3ccccc3C2=O)cc1
COc1ccccc1C(=O)\C=C\C1=Cc2cc(Br)ccc2OC1 |t:13|
CC(=O)Nc1ccc(\C=C2/COc3ccccc3C2=O)cc1
COc1ccc(\C=C2/COc3ccccc3C2=O)c(OC)c1OC
Clc1ccc(\C=C2/COc3ccccc3C2=O)cc1
CSCOc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CCOc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
Clc1cccc(COc2ccc3c(OCC(=O)N4CCOCC4)cc(=O)oc3c2)c1
Clc1cccc(COc2ccc3c(CN4CCOCC4)cc(=O)oc3c2)c1
CNc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CC(=O)Nc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CCCCNCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CC(C)Oc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CC(O)c1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CNC(=O)COc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Clc1cccc(COc2ccc3c(Nc4ccccc4)cc(=O)oc3c2)c1
Clc1cccc(COc2ccc3c(Oc4ccccc4)cc(=O)oc3c2)c1
CCCOc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CCOc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
COc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
CNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
O\N=C\c1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CC(=O)c1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Clc1cccc(COc2ccc3c(Cl)cc(=O)oc3c2)c1
CC(=O)COc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CCOC(=O)Nc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CC(C)Nc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CCNc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Clc1cccc(COc2ccc3c(OCC#N)cc(=O)oc3c2)c1
COCOc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CCCOc1cc(=O)oc2cc(OCc3cccc(Br)c3)ccc12
CCCOc1cc(=O)oc2cc(OCc3ccccc3)ccc12
CCOc1cc(=O)oc2cc(OCc3cccc(Br)c3)ccc12
CCOc1cc(=O)oc2cc(OCc3ccccc3)ccc12
COc1cc(=O)oc2cc(OCc3cccc(Br)c3)ccc12
COc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Clc1cccc(COc2ccc3c(CN4CCCC4)cc(=O)oc3c2)c1
CN(C)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CCCNCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
NCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
NC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Clc1cccc(COc2ccc3c(CC#N)cc(=O)oc3c2)c1
OCc1cc(=O)oc2cc(OCc3cccc(Br)c3)ccc12
Clc1cccc(COc2ccc3c(cc(=O)oc3c2)C#N)c1
CCOC(=O)c1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Oc1cc(=O)oc2cc(OCc3ccccc3)ccc12
ClCc1cc(=O)oc2cc(OCc3cccc(Br)c3)ccc12
ClCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
FC(F)(F)c1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Oc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
OCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Clc1cccc(COc2ccc3c(OCC(=O)N4CCCCC4)cc(=O)oc3c2)c1
CN(C)C(=O)COc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
NC(=O)COc1cc(=O)oc2cc(OCc3cccc(Br)c3)ccc12
NC(=O)COc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Clc1cccc(COc2ccc3ccc(=O)oc3c2)c1
CNCc1cc(=O)oc2cc(OCc3cccc(Br)c3)ccc12
Oc1cc(=O)oc2cc(OCc3cccc(Br)c3)ccc12
COc1cc(=O)oc2cc(OCc3ccccc3)ccc12
CCCOc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
Oc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CN(C)C(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
NC(=O)c1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Nc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CCOC(=O)COc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccnc(c2)-c2cc(ccn2)C(O)=O)cc1
COC(=O)c1ccnc(c1)-c1cc(ccn1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N
N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(O)c3ncccc23)cc1
O=c1ccc2ccc(OCCNCC#C)cc2o1
COC(=O)c1cc2ccc(OCCNCC#C)cc2oc1=O
[#6]-[#8]-[#6](=O)-c1cc2cc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])ccc2oc1=O
COC(=O)c1cc2ccc(OCCc3ccc(Cl)cc3)cc2oc1=O
COC(=O)c1cc2ccc(OCc3cccc(F)c3)cc2oc1=O
COc1ccc(cc1)-c1cc2ccc(OCCCCC#C)cc2oc1=O
O=c1ccc2ccc(OCCCCC#C)cc2o1
CC(=O)Nc1cc2ccc(OCCCCC#C)cc2oc1=O
COc1ccc(cc1)C(=O)c1cc2cc(OCCCCC#C)ccc2oc1=O
Cc1cc(=O)oc2cc(OCCCC#C)ccc12
Fc1ccc(NC(=O)c2cc3ccc(OCCCC#C)cc3oc2=O)cc1
COc1ccc(cc1)C(=O)c1cc2ccc(OCCCC#C)cc2oc1=O
COC(=O)c1cc2cc(OCCCC#C)ccc2oc1=O
COC(=O)c1cc2ccc(OCCCC#C)cc2oc1=O
COC(=O)c1cc2cc(OCCc3ccc(Cl)cc3)ccc2oc1=O
COC(=O)c1cc2ccc(OCCCCC#C)cc2oc1=O
COC(=O)c1cc2ccc(OCC#C)cc2oc1=O
COC(=O)c1cc2cc(OCCCCC#C)ccc2oc1=O
CC(=O)Nc1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O
COC(=O)c1cc2ccc(OCCC#C)cc2oc1=O
CC(=O)Nc1cc2ccc(OCCCC#C)cc2oc1=O
O=C1CCc2ccc(OCCCCC#C)cc2N1
CCCCCCOc1ccc2cc(C(=O)OC)c(=O)oc2c1
COC(=O)c1cc2cc(OCc3cccc(Cl)c3)ccc2oc1=O
Cc1cc(=O)oc2cc(OCCCCC#C)ccc12
COc1ccc(cc1)C(=O)c1cc2ccc(OCCCCC#C)cc2oc1=O
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1cc2ccc(OCCCC#C)cc2oc1=O
COC(=O)c1cc2cccc(OCCCC#C)c2oc1=O
CC(=O)Nc1cc2cc(OCCCCC#C)ccc2oc1=O
O=c1ccc2ccc(OCCCC#C)cc2o1
[#6]-[#8]-[#6](=O)-c1cc2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])cc2oc1=O
OC(=O)c1cc2ccc(OCCCC#C)cc2oc1=O
CCCCCNCCC#N
CCCCCNCC#N
CCCCCNCC(N)=O
CCCCCNCC(=O)OCC
COc1ccccc1CNc1n[nH]c(NCc2ccccc2OC)n1
Nc1nnc(NCc2c(Cl)cccc2Oc2ccccc2)[nH]1
CCCNCCc1ccccc1
CN(C)CCCc1ccccc1
CN(C)CCC(=O)c1ccccc1
CN(C)CCCCc1ccccc1
CN(C)CCc1ccccc1
CCCCCN(C)C
CCOC(=O)N(C[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1)C(=O)CC |r|
CC(=O)N1CCN(CC1)c1ccc(cc1F)N1C[C@H](CNO)OC1=O
CCOC(=O)N(C[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(C)=O)c(F)c1)C(=O)CC |r|
CCC(=O)N(O)C[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(C)=O)c(F)c1 |r|
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 |r|
CC(C)C(=O)N(O)C[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 |r|
CCC(=O)N(O)C[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 |r|
CC(=O)N1CCN(CC1)c1ccc(cc1F)N1C[C@H](CN(C(=O)OC2CC2)C(=O)C2CC2)OC1=O |r|
ON(C[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1)C(=O)C1CC1 |r|
ONC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 |r|
COC(=O)N(C[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(C)=O)c(F)c1)C(C)=O |r|
Cn1nnc(n1)-c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](CO)OC1=O |r|
CC(C)OC(=O)N(C[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1)C(=O)C(C)C |r|
CCn1nnc(n1)-c1ccc2c(c1)oc1ccc(O)cc1c2=O
COc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnc(C)o1
COc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnn(C)n1
C1CN=C(N1)c1ccc2Oc3ccc(cc3Sc2c1)C1=NCCN1 |c:2,t:23|
O=S1(=O)c2cc(ccc2Oc2ccc(cc12)C1=NCCN1)C1=NCCN1 |t:19,25|
C1CN=C(N1)c1ccc2Oc3ccccc3Sc2c1 |c:2|
CCCOc1ccc2sc3cc(ccc3c(=O)c2c1)-c1nnc(C)o1
COn1c(c(Br)c2cc(C#N)c(cc12)C#N)-c1ccccc1
COn1c(c(C=O)c2cc(C#N)c(cc12)C#N)-c1ccc(C)cc1
OC(=O)c1cc2cc(-c3cccs3)n(O)c2cc1C(O)=O
On1c(cc2cc(C#N)c(cc12)C#N)-c1cccs1
COc1ccc(cc1)-c1cc2cc(C#N)c(cc2n1O)C#N
On1c(cc2cc(C#N)c(cc12)C#N)-c1ccccc1
COc1ccc(cc1)-c1c(CO)c2cc(C#N)c(cc2n1OC)C#N
COn1c(c(Br)c2cc(C#N)c(cc12)C#N)-c1ccc(C)cc1
On1c(cc2cc3C(=O)NC(=O)c3cc12)-c1cccs1
COn1c(cc2cc3C(=O)NC(=O)c3cc12)-c1ccc(C)cc1
COn1c(cc2cc3C(=O)N(C)C(=O)c3cc12)-c1ccccc1
Clc1c([nH]c2cc3C(=O)NC(=O)c3cc12)-c1ccccc1
[O-][N+](=O)c1cc2C(=O)NC(=O)c2cc1CC(=O)c1ccccc1
COc1ccc(cc1)C(=O)Cc1cc2C(=O)NC(=O)c2cc1[N+]([O-])=O
[O-][N+](=O)c1cc2C(=O)N(Cc3ccccc3)C(=O)c2cc1CC(=O)c1cccs1
CC(=O)On1c(cc2cc(C#N)c(cc12)C#N)-c1cccs1
COc1ccc(cc1)-c1cc2cc(C(O)=O)c(cc2n1O)C(O)=O
COc1ccc(cc1)C(=O)Cc1cc2C(=O)N(Cc3ccccc3)C(=O)c2cc1[N+]([O-])=O
Cc1ccc(cc1)-c1cc2cc(C#N)c(cc2n1O)C#N
COn1c(c(C=O)c2cc(C#N)c(cc12)C#N)-c1ccccc1
COn1c(c(CO)c2cc(C#N)c(cc12)C#N)-c1ccc(C)cc1
Cc1ccc(cc1)-c1cc2cc(C(O)=O)c(cc2n1O)C(O)=O
On1c(cc2cc3C(=O)NC(=O)c3cc12)-c1ccccc1
Cc1ccc(cc1)C(=O)Cc1cc2C(=O)NC(=O)c2cc1[N+]([O-])=O
OC(=O)c1cc2cc(-c3ccccc3)n(O)c2cc1C(O)=O
Cc1ccc(cc1)-c1cc2cc3C(=O)NC(=O)c3cc2n1O
[O-][N+](=O)c1cc2C(=O)NC(=O)c2cc1CC(=O)c1cccs1
OC(=O)c1cc(CC(=O)c2ccccc2)c(cc1C(O)=O)[N+]([O-])=O
COn1c(c(CO)c2cc(C#N)c(cc12)C#N)-c1ccccc1
OC(=O)c1cc(CC(=O)c2cccs2)c(cc1C(O)=O)[N+]([O-])=O
COc1ccc(cc1)-c1c(C=O)c2cc(C#N)c(cc2n1OC)C#N
COC(=O)c1cc2cc(-c3ccc(OC)cc3)n(OC)c2cc1C(=O)OC
COc1ccc(cc1)C(=O)Cc1cc(C(O)=O)c(cc1[N+]([O-])=O)C(O)=O
COn1c(cc2cc3C(=O)NC(=O)c3cc12)-c1cccs1
Cc1ccc(cc1)C(=O)Cc1cc(C(O)=O)c(cc1[N+]([O-])=O)C(O)=O
NS(=O)(=O)c1ccc(cc1)-c1nnc(o1)-c1ccc(Cl)c(Cl)c1
NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)c1ccc(cc1)C#N
NS(=O)(=O)c1ccc(cc1)-c1nnc(o1)-c1ccccc1
NS(=O)(=O)c1ccc(cc1)-c1nnc(o1)-c1ccc(F)cc1
NS(=O)(=O)c1ccc(cc1)-c1nnc(o1)-c1ccc(cc1)C#N
NS(=O)(=O)c1cccc(c1)-c1nnc(o1)-c1ccc(F)cc1
Cc1ccc(cc1)-c1nnc(o1)-c1cccc(c1)S(N)(=O)=O
NS(=O)(=O)c1cccc(c1)-c1nnc(o1)-c1ccc(Cl)cc1
Cc1ccc(cc1S(N)(=O)=O)-c1nnc(o1)-c1ccccc1
NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)c1ccc(Cl)cc1
NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1
OS(=N)(=O)Cc1noc2ccccc12
NS(=O)(=O)c1ccc(cc1)-c1nnc(o1)-c1ccc(Cl)cc1
NS(=O)(=O)c1cc(ccc1Cl)-c1nnc(o1)-c1ccccc1
NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)c1ccc(F)cc1
NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)c1ccccc1
N\C(=N/O)c1cccc(\C=C\c2ccc(O)c(c2)-c2ccccn2)c1
N\C(=N/O)c1cccc(\C=C\c2ccnc(c2)-c2cc(F)ccc2O)c1
N\C(=N/O)c1cccc(\C=C\c2ccnc(c2)-c2ccccc2O)c1
Nc1cccc(\C=C\c2ccc(O)c(c2)-c2ccccn2)c1
Clc1ccc(cc1Cl)-c1noc(n1)-c1ccc(cc1)C1=NCCN1 |t:22|
C1CN=C(N1)c1ccc(cc1)-c1nc(no1)-c1cccs1 |c:2|
Cc1nc(no1)-c1ccc(cc1)C1=NCCN1 |t:14|
Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)C1=NCCN1 |t:21|
N#Cc1cccc(c1)C1=NCCN1 |t:9|
C1CN=C(N1)c1ccc(cc1)-c1nc(no1)-c1ccc(cc1)-c1ccccc1 |c:2|
C(c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1=NCCN1)n1cncn1 |t:21|
COc1cccc(c1)-c1noc(n1)-c1ccc(cc1)C1=NCCN1 |t:22|
O=c1n(Cc2noc(n2)-c2ccc(cc2)C2=NCCN2)ncc2ccccc12 |t:17|
Clc1ccccc1-c1noc(n1)-c1ccc(cc1)C1=NCCN1 |t:21|
Clc1cccc(c1)-c1noc(n1)-c1ccc(cc1)C1=NCCN1 |t:21|
C(Oc1ccccc1)c1noc(n1)-c1ccc(cc1)C1=NCCN1 |t:22|
CC(C)c1noc(n1)-c1ccc(cc1)C1=NCCN1 |t:16|
C1CN=C(N1)c1cccc(c1)-c1noc(n1)-c1cccs1 |c:2|
Clc1cccc(c1)-c1nc(no1)-c1cccc(c1)C1=NCCN1 |t:21|
C1CC1c1nc(no1)-c1ccc(cc1)C1=NCCN1 |t:17|
COc1ccc(cc1Cn1ccnc1C)C1=NCCN1
FC(F)(F)c1ccc(nc1)N1CCN=C1c1ccc(cc1)C#N |c:14|
N#Cc1ccc(cc1)C1=NCCN1c1cnccn1 |t:9|
C1CN2C(=N1)c1ccccc1Oc1nccnc21 |c:3|
CC1CN=C(N1)c1ccc(cc1)-c1noc(n1)-c1ccc(Cl)c(Cl)c1 |c:3|
CCOc1ccc(cc1)-c1n[nH]cc1C1=NCCN1
FC(F)(F)c1cnc2N3CCN=C3c3ccccc3Oc2c1 |c:11|
Cc1nn(Cc2nc(no2)-c2cccc(c2)C2=NCCN2)c(=O)c2ccccc12 |t:18|
C1CN=C(N1)c1cn(nc1-c1cccs1)-c1ccccc1
C1CN=C(N1)c1ccc(cc1)-c1nc(no1)-c1ccc(Oc2ccccc2)cc1 |c:2|
Cn1ccnc1SCc1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1=NCCN1 |t:29|
O=c1ccc(nn1Cc1noc(n1)-c1ccc(cc1)C1=NCCN1)-c1ccccc1 |t:22|
CC1CN=C(N1)c1ccc(cc1)-c1nc(no1)-c1ccc(C)s1 |c:3|
COc1ccc(cc1OC)-c1noc(n1)-c1ccc(cc1)C1=NCCN1 |t:24|
CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1=NCCN1 |t:24|
Cc1ccc(Cc2noc(n2)-c2ccc(cc2)C2=NCCN2)cc1 |t:19|
Cn1ncc2N3CCN=C3c3ccccc3Oc2c1=O |c:8|
Oc1cc(OCCCN2CCCCC2)ccc1C(=O)\C=C\c1ccc(OCCCN2CCCCC2)cc1
CCN(CC)CCCCCCOc1ccc(\C=C\C(=O)c2ccc(OCCCCCCN(CC)CC)cc2O)cc1
Oc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1C(=O)\C=C\c1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1
CCN(CC)CCOc1ccc(\C=C\C(=O)c2ccc(OCCN(CC)CC)cc2O)cc1
Oc1cc(OCCCN2CCCC2)ccc1C(=O)\C=C\c1ccc(OCCCN2CCCC2)cc1
Oc1cc(OCCCCN2CCCC2)ccc1C(=O)\C=C\c1ccc(OCCCCN2CCCC2)cc1
CCN(CC)CCCCOc1ccc(\C=C\C(=O)c2ccc(OCCCCN(CC)CC)cc2O)cc1
Oc1cc(OCCCCCCN2CCC(Cc3ccccc3)CC2)ccc1C(=O)\C=C\c1ccc(OCCCCCCN2CCC(Cc3ccccc3)CC2)cc1
Oc1cc(OCCCCCCN2CCCC2)ccc1C(=O)\C=C\c1ccc(OCCCCCCN2CCCC2)cc1
Oc1ccccc1C(=O)\C=C\c1ccc(OCCCCCCN2CCCC2)cc1
CN(C)c1ccc(\C=C\C(=O)c2ccc(OC(=O)N3CCCC3)cc2O)cc1
Oc1cc(OCCN2CCCCC2)ccc1C(=O)\C=C\c1ccc(OCCN2CCCCC2)cc1
Oc1cc(OCCN2CCCC2)ccc1C(=O)\C=C\c1ccc(OCCN2CCCC2)cc1
CCN(CC)CCCOc1ccc(\C=C\C(=O)c2ccc(OCCCN(CC)CC)cc2O)cc1
Oc1cc(OCCCCCCN2CCCCC2)ccc1C(=O)\C=C\c1ccc(OCCCCCCN2CCCCC2)cc1
Oc1cc(OCCCCN2CCCCC2)ccc1C(=O)\C=C\c1ccc(OCCCCN2CCCCC2)cc1
Oc1cc(OCCCN2CCC(Cc3ccccc3)CC2)ccc1C(=O)\C=C\c1ccc(OCCCN2CCC(Cc3ccccc3)CC2)cc1
CCN(C)C(=O)Oc1cccc(\C=C\C(=O)c2ccccc2O)c1
CCN(CC)Cc1ccc(\C=C\C(=O)c2ccc(OC)c(OC)c2)cc1O
Oc1cc(OCCCCN2CCC(Cc3ccccc3)CC2)ccc1C(=O)\C=C\c1ccc(OCCCCN2CCC(Cc3ccccc3)CC2)cc1
Oc1cc(OCCCCCCN2CCCC2)ccc1C(=O)\C=C\c1ccccc1
COc1cc(C=CC(=O)Nc2ccccc2COc2ccc(OC3CCNCC3)cc2)ccc1O
Oc1ccc(C=CC(=O)Nc2cccc(OCC3CCNCC3)c2)cc1
O=C(OCc1ccccc1)C(=C\C=C\c1ccc2OCOc2c1)\C#N
O=C(Oc1ccccc1)\C=C\C=C\c1ccc2OCOc2c1
O=C(OCCc1ccccc1)\C=C\C=C\c1ccc2OCOc2c1
O=C(N1CCCCC1)C(=C\C=C\c1ccc2OCOc2c1)\C#N
O=C(Oc1ccccc1)C(=C\C=C\c1ccc2OCOc2c1)\C#N
O=C(OCCc1ccccc1)C(=C\C=C\c1ccc2OCOc2c1)\C#N
O=C(OCc1ccccc1)\C=C\C=C\c1ccc2OCOc2c1
c1cc2c(cc1/C=C/C=C/C(=O)N3CCCCC3)OCO2
O=C(NCc1ccccc1)C(=C\C=C\c1ccc2OCOc2c1)\C#N
CC(=O)Nc1ccc(Cl)c(CCOc2cccc3C(CCc23)NCC#C)c1
C#CCNC1CCc2c1cccc2NCc1ccccc1
Clc1ccc(CSc2cccc3C(CCc23)NCC#C)cc1
CC(C)(C)c1ccc(CSc2cccc3C(CCc23)NCC#C)cc1
Clc1ccc(NC(=O)c2ccccc2)cc1CCOc1cccc2C(CCc12)NCC#C
Fc1ccc(cc1)C(=O)Nc1ccc(Cl)c(CCOc2cccc3C(CCc23)NCC#C)c1
CC(=O)OCC(=O)Nc1ccc(Cl)c(CCOc2cccc3C(CCc23)NCC#C)c1
C#CCNC1CCc2c1cccc2OCCc1cccc2ccccc12
Fc1ccc(CSc2cccc3C(CCc23)NCC#C)cc1
Cc1ccc(CNc2cccc3C(CCc23)NCC#C)cc1
Cc1cccc(CNc2cccc3C(CCc23)NCC#C)c1
Fc1cccc(CNc2cccc3C(CCc23)NCC#C)c1
Fc1cccc(c1)C(=O)Nc1ccc(Cl)c(CCOc2cccc3C(CCc23)NCC#C)c1
Brc1cccc(CNc2cccc3C(CCc23)NCC#C)c1
CC(C)(C)C(=O)Nc1ccc(F)c(CCOc2cccc3C(CCc23)NCC#C)c1
Clc1ccc(cc1)C(=O)Nc1ccc(Cl)c(CCOc2cccc3C(CCc23)NCC#C)c1
Fc1ccc(CNc2cccc3C(CCc23)NCC#C)cc1
OCC(=O)Nc1ccc(Cl)c(CCOc2cccc3C(CCc23)NCC#C)c1
OC(=O)c1cc(ccc1Cl)N1N=C(\C(=C\c2ccc(o2)-c2ccccc2)C1=O)C(F)(F)F |c:12|
NCC12C3C4C5C3C1C5C24 |(11.3,-2.97,;10.29,-2.28,;9.19,-2.8,;8.78,-2.39,;7.25,-2.3,;7.04,-3.84,;8.58,-3.93,;8.99,-4.34,;7.44,-4.25,;7.65,-2.71,)|
NCC12C3C4C1C1C2C3C41c1ccccc1 |(14.26,-3.75,;12.99,-2.87,;11.59,-3.54,;9.65,-3.42,;9.39,-5.36,;11.34,-5.47,;10.82,-4.96,;11.08,-3.02,;9.14,-2.9,;8.88,-4.84,;7.51,-5.52,;7.41,-7.05,;6.03,-7.72,;4.74,-6.87,;4.84,-5.33,;6.22,-4.66,)|
NCC12C3C4C1C1C2C3C41C1CC1 |(14.18,-3.72,;12.92,-2.86,;11.53,-3.52,;9.59,-3.4,;9.34,-5.33,;11.28,-5.44,;10.76,-4.93,;11.02,-3,;9.09,-2.88,;8.84,-4.82,;7.47,-5.49,;5.93,-5.39,;6.61,-6.77,)|
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(CC(F)=CCN)c2ccc(cc12)C(O)=O
CN(C)S(=O)(=O)c1ccc(OCc2cn(CC(F)=CCN)nn2)cc1
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(CC(F)=CCN)c2ccccc12
C#CCN1CCC(CC1)\C=C/c1ccc(cc1)C#N
NC(=O)c1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Cc1ccc(\C=C/C2CCN(CC#C)CC2)cc1
Brc1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Fc1cc(F)c(CCC2CCN(CC#C)CC2)cc1F
FC(F)(F)c1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Fc1ccc(\C=C\C2CCN(CC#C)CC2)cc1
CC(C)c1ccc(CCC2CCN(CC#C)CC2)cc1
Fc1ccc(CCC2CCCN(CC#C)C2)cc1
Fc1cc(F)c(CCC2CCCN(CC#C)C2)cc1F
C#CCN1CCC(CC1)\C=C\c1ccccc1
Fc1cccc(\C=C/C2CCN(CC#C)CC2)c1
Fc1cccc(\C=C\C2CCN(CC#C)CC2)c1
Fc1cccc(CCC2CCN(CC#C)CC2)c1
Fc1ccccc1CCC1CCN(CC#C)CC1
Fc1ccc(\C=C/C2CCN(CC#C)CC2)c(Cl)c1
Fc1ccc(\C=C\C2CCN(CC#C)CC2)c(Cl)c1
Cc1ccc(CCC2CCN(CC#C)CC2)cc1
CC(C)c1ccc(\C=C/C2CCN(CC#C)CC2)cc1
Clc1ccc(\C=C/C2CCN(CC#C)CC2)cc1
Clc1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Clc1ccc(CCC2CCN(CC#C)CC2)cc1
COc1ccc(CCC2CCN(CC#C)CC2)cc1
FC(F)(F)c1ccc(\C=C/C2CCN(CC#C)CC2)cc1
FC(F)(F)c1ccc(CCC2CCN(CC#C)CC2)cc1
FC(F)(F)c1cccc(\C=C/C2CCN(CC#C)CC2)c1
C#CCN1CCC(CCc2ccc(cc2)C#N)CC1
CS(=O)(=O)c1ccc(\C=C/C2CCN(CC#C)CC2)cc1
CS(=O)(=O)c1ccc(\C=C\C2CCN(CC#C)CC2)cc1
C#CCN1CCC(CC1)\C=C\c1ccc(cc1)C1CC1
CCCc1ccc(CCC2CCN(CC#C)CC2)cc1
NC(=O)c1ccc(CCC2CCN(CC#C)CC2)cc1
Fc1ccc(CCC2CCN(CC#C)CC2)cc1
Fc1cc(F)c(\C=C\C2CCN(CC#C)CC2)cc1F
FC(F)(F)c1cccc(CCC2CCN(CC#C)CC2)c1
Fc1ccc(\C=C\C2CCCN(CC#C)C2)cc1
C#CCN1CCC(CCc2ccccc2)CC1
CC(C)c1ccc(\C=C\C2CCN(CC#C)CC2)cc1
FC(F)(F)c1cccc(\C=C\C2CCN(CC#C)CC2)c1
Oc1ccc(CCC2CCN(CC#C)CC2)cc1
Fc1cc(F)c(\C=C\C2CCCN(CC#C)C2)cc1F
Fc1ccccc1\C=C\C1CCN(CC#C)CC1
Cc1ccc(\C=C\C2CCN(CC#C)CC2)cc1
COc1ccc(\C=C\C2CCN(CC#C)CC2)cc1
C#CCN1CCC(CC1)\C=C\c1ccc(cc1)C#N
C#CCN1CCC(CC1)\C=C/c1ccc(cc1)C1CC1
NC(=O)c1ccc(\C=C/C2CCN(CC#C)CC2)cc1
Fc1ccc(\C=C/C2CCN(CC#C)CC2)cc1
Cc1cc2ccc(OCC3CCN(Cc4ccc(CO)cc4)CC3)cc2oc1=O
CN(C)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
CN(C)Cc1cc(=O)oc2cc(OCc3ccc(CO)cc3)ccc12
CN(C)Cc1cc(=O)oc2cc(OCc3cccc(CO)c3)ccc12
CN(C)Cc1cccc(COc2ccc3c(CO)cc(=O)oc3c2)c1
Cc1c(C)c(=O)oc2cc(OCc3cccc(CN4CCC(CO)CC4)c3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccc(CO)cc4)C3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4cccc(CO)c4)C3)ccc12
Cc1cc(=O)oc2cc(OCC3CCN(Cc4ccc(CO)cc4)CC3)ccc12
Cc1cc(=O)oc2cc(OCC3CCN(Cc4cccc(CO)c4)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4cccc(OCCCO)c4)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCN(CCCO)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4cccc(CO[N+]([O-])=O)c4)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCN(CCCO[N+]([O-])=O)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4ccc(CO)cc4)CC3)ccc12
Cc1cc2ccc(OCC3CCN(Cc4cccc(CO)c4)CC3)cc2oc1=O
Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4cccc(OCCCO[N+]([O-])=O)c4)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCCN(CCCO)C3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4ccc(CCO)cc4)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCN(CCCCO)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4cccc(CO)c4)CC3)ccc12
CCC(C)(C)c1ccc(OCCCCN2CCCCCC2)cc1
CCC(C)(C)c1ccc(OCCCCCCCN2CCCC(C)C2)cc1
CCC(C)(C)c1ccc(OCCCN2C(C)CCCC2C)cc1
CCC(C)(C)c1ccc(OCCCN2CCCCC2)cc1
CCC(C)(C)c1ccc(OCCCN2CCCC(C)C2)cc1
CCC(C)(C)c1ccc(OCCCN2CCCC(C)(C)C2)cc1
CCC(C)(C)c1ccc(OCCCN2CCC(C)CC2)cc1
CCC(C)(C)c1ccc(OCCCN2CCCCCC2)cc1
CCC(C)(C)c1ccc(OCCCCN2CCCCC2)cc1
CCC(C)(C)c1ccc(OCCCCN2CCC(C)CC2)cc1
CCC(C)(C)c1ccc(OCCCCCN2CCCC(C)C2)cc1
CCC(C)(C)c1ccc(OCCCCCN2CCC(C)CC2)cc1
CCC(C)(C)c1ccc(OCCCCCCN2CCCCC2)cc1
CCC(C)(C)c1ccc(OCCCCCCN2CCCC(C)C2)cc1
CCC(C)(C)c1ccc(OCCCCCCCN2CCC(C)CC2)cc1
CCC(C)(C)c1ccc(OCCCCCCCN2CCCCCC2)cc1
CCC(C)(C)c1ccc(OCCCCCCCCN2CCC(C)CC2)cc1
CCC(C)(C)c1ccc(OCCCCCCCCN2CCCCCC2)cc1
CCC(C)(C)c1ccc(OCCCN2CCCCC2C)cc1
CCC(C)(C)c1ccc(OCCCN2CC(C)CC(C)C2)cc1
CCC(C)(C)c1ccc(OCCCCN2CCCC(C)C2)cc1
CCC(C)(C)c1ccc(OCCCCCN2CCCCCC2)cc1
CCC(C)(C)c1ccc(OCCCCCCN2CCC(C)CC2)cc1
CCC(C)(C)c1ccc(OCCCCCCCCN2CCCCC2)cc1
CCC(C)(C)c1ccc(OCCCCCCN2CCCCCC2)cc1
CCC(C)(C)c1ccc(OCCCCCN2CCCCC2)cc1
CCC(C)(C)c1ccc(OCCCCCCCN2CCCCC2)cc1
CCC(C)(C)c1ccc(OCCCN2CCCC2)cc1
CCC(C)(C)c1ccc(OCCCCCCCCN2CCCC(C)C2)cc1
NCc1ccc(C\N=C2/C3C4C5C3C3(OCCO3)C3C5CC4C23)cc1 |TLB:13:18:20:11.10,8:22:20:11.10,THB:12:11:20:22.18,9:10:20:22.18|
C#CCNCc1ccc(CNC23OC4C5C6C(C25)C2CC6C4C32)cc1 |TLB:11:22:19:15.16,13:21:19:15.16,THB:14:15:19:21.22,17:16:19:21.22|
C(NC12OC3C4C5C(C14)C1CC5C3C21)c1ccccc1 |THB:6:5:3:13.12,7:8:3:13.12,9:13:3:8.5,11:12:3:8.5|
NCc1ccc(CNC2C3C4C5C3C3(OCCO3)C3C5CC4C23)cc1 |TLB:13:18:20:11.10,8:22:20:11.10,THB:12:11:20:22.18,9:10:20:22.18|
C#CCNCc1ccc(C\N=C2/C3C4C5C3C3(OCCO3)C3C5CC4C23)cc1 |TLB:16:21:23:14.13,11:25:23:14.13,THB:15:14:23:25.21,12:13:23:25.21|
C#CCNCc1ccc(CNC2C3C4C5C3C3(OCCO3)C3C5CC4C23)cc1 |TLB:16:21:23:14.13,11:25:23:14.13,THB:15:14:23:25.21,12:13:23:25.21|
Nc1ccc(CNC23OC4C5C6C(C25)C2CC6C4C32)cc1 |TLB:7:18:15:11.12,9:17:15:11.12,THB:10:11:15:17.18,13:12:15:17.18|
ClCc1ccc(CNC23OC4C5C6C(C25)C2CC6C4C32)cc1 |TLB:8:19:16:12.13,10:18:16:12.13,THB:11:12:16:18.19,14:13:16:18.19|
Nc1ccc(C\N=C2/C3C4C5C3C3(OCCO3)C3C5CC4C23)cc1 |TLB:12:17:19:10.9,7:21:19:10.9,THB:11:10:19:21.17,8:9:19:21.17|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc(CNCC#C)cc1 |TLB:6:7:9:4.3,1:11:9:4.3,THB:5:4:9:7.11,2:3:9:7.11|
C(\N=C1\C2C3C4C2C2(OCCO2)C2C4CC3C12)c1ccc(C\N=C2/C3C4C5C3C3(OCCO3)C3C5CC4C23)cc1 |TLB:7:12:14:5.4,28:33:35:26.25,2:16:14:5.4,23:37:35:26.25,THB:6:5:14:16.12,27:26:35:37.33,3:4:14:16.12,24:25:35:37.33|
Nc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:7:18:16:9.10,12:14:16:9.10,THB:8:9:16:18.14,11:10:16:18.14|
NCc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:8:19:17:10.11,13:15:17:10.11,THB:9:10:17:19.15,12:11:17:19.15|
c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O
Oc1ccc(cc1)[C@H]1Oc2ccc(\C=C\c3cc(O)cc(O)c3)cc2[C@@H]1c1cc(O)cc(O)c1 |r|
[#6]-[#6@H](-[#6@H](-[#8]-c1ccc(\[#6]=[#6]\c2cc(-[#8])c3-[#6]-[#6]C([#6])([#6])[#8]-c3c2)cc1)-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1)-c1ccc(-[#8])cc1 |r|
[#6]-[#8]-[#6@H](-[#6@H](-[#8]-c1ccc(\[#6]=[#6]\c2cc(-[#8])c3-[#6]-[#6]C([#6])([#6])[#8]-c3c2)cc1)-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1)-c1ccc(-[#8])cc1 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(\[#6]=[#6]\c2ccc3-[#8]-[#6@@H](-[#6@H](-c3c2)-c2cc(-[#8])c3-[#6]-[#6]C([#6])([#6])[#8]-c3c2)-c2ccc(-[#8])cc2)cc1-[#8] |r|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(\[#6]=[#6]\c2ccc3-[#8]-[#6@@H](-[#6@H](-c3c2)-c2cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2)-c2ccc(-[#8])cc2)cc1-[#8] |r|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(\[#6]=[#6]\c2ccc(-[#8])cc2)cc1-[#8]
O=C(CCC1NC(=O)NC1=O)NCCc1c[nH]c2ccccc12
OCC(O)c1cccc2Oc3ccccc3S(=O)(=O)c12
Cc1cc(=O)oc2ccc(OC\C=C\CCn3cnc4c(ncnc34)N3CCCCC3)cc12
O=C1CCCc2nnc(cc12)-c1ccccc1
CN(C)CCC(=O)c1cc2ccc(O)cc2oc1=O
CN(C)CCC(=O)c1cc2cc(Br)c(O)c(Br)c2oc1=O
CCN(CC)CCC(=O)c1cc2ccc(O)cc2oc1=O
Oc1ccc2cc(C(=O)CCN3CCCCC3)c(=O)oc2c1
Oc1ccc2cc(C(=O)CCN3CCN(Cc4ccccc4)CC3)c(=O)oc2c1
COc1ccc2cc(C(=O)CCN(C)C)c(=O)oc2c1
COc1ccc2cc(C(=O)CCN3CCOCC3)c(=O)oc2c1
Oc1c(Br)cc2cc(C(=O)CCN3CCCC3)c(=O)oc2c1Br
Cc1cc(O)cc2oc(=O)c(cc12)C(=O)CCN1CCOCC1
Cc1cc(O)cc2oc(=O)c(cc12)C(=O)CCN1CCCC1
Oc1ccc2cc(C(=O)CCN3CCOCC3)c(=O)oc2c1
Oc1c(Br)cc2cc(C(=O)CCN3CCOCC3)c(=O)oc2c1Br
COc1ccc2cc(C(=O)CCN3CCCC3)c(=O)oc2c1
Oc1ccc2cc(C(=O)CCN3CCCC3)c(=O)oc2c1
COc1ccc2cc(C(=O)CCN3CCCCC3)c(=O)oc2c1
CN(C)CCC(=O)c1cc2c(C)cc(O)cc2oc1=O
Cc1cc(O)cc2oc(=O)c(cc12)C(=O)CCN1CCCCC1
COc1ccc(\C=C2/COc3cc(OCCCN4CCCCC4)ccc3C2=O)cc1
CN(CC#C)Cc1cc2cc(OCc3ccccc3)ccc2n1C
COc1ccc2[nH]c3nc4CCCCc4c(N)c3c2c1
Cc1nc(cc(n1)-c1cccc(OCC#C)c1)-c1ccc(OCC#C)cc1
COc1cc(ccc1OCC#C)-c1cc(nc(n1)-c1ccccc1)-c1ccc(OCC#C)cc1
Cc1nc(cc(n1)-c1ccc(OCC#C)cc1)-c1ccc(OCC#C)cc1
Nc1nc(cc(n1)-c1cccc(OCC#C)c1)-c1ccc(OCC#C)cc1
C#CCOc1ccc(cc1)-c1cc(nc(n1)-c1ccccc1)-c1cccc(OCC#C)c1
C#CCOc1ccc(cc1)-c1cc(nc(n1)-c1ccccc1)-c1ccccc1OCC#C
Nc1nc(cc(n1)-c1cccc(OCC#C)c1)-c1cccc(OCC#C)c1
C#CCOc1cccc(c1)-c1cc(nc(n1)-c1ccccc1)-c1cccc(OCC#C)c1
COc1cc(ccc1OCC#C)-c1cc(nc(N)n1)-c1ccc(OCC#C)cc1
COc1cc(ccc1OCC#C)-c1cc(nc(C)n1)-c1ccc(OCC#C)cc1
CCOc1cc(ccc1OCC#C)-c1cc(nc(n1)-c1ccccc1)-c1ccc(OCC#C)cc1
Nc1nc(cc(n1)-c1ccccc1OCC#C)-c1ccc(OCC#C)cc1
C#CCOc1ccccc1-c1cc(nc(n1)-c1ccccc1)-c1ccccc1OCC#C
Nc1nc(cc(n1)-c1ccc(OCC#C)cc1)-c1ccc(OCC#C)cc1
Cc1nc(cc(n1)-c1ccccc1OCC#C)-c1ccc(OCC#C)cc1
Nc1nc(cc(n1)-c1ccccc1OCC#C)-c1ccccc1OCC#C
CCOc1cc(ccc1OCC#C)-c1cc(nc(N)n1)-c1ccc(OCC#C)cc1
C#CCOc1ccc(cc1)-c1cc(nc(n1)-c1ccccc1)-c1ccc(OCC#C)cc1
CCOc1cc(ccc1OCC#C)-c1cc(nc(C)n1)-c1ccc(OCC#C)cc1
COCCn1ncc2cc(\C=N\c3ccc(Cl)c(Cl)c3)ccc12
Clc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Fc1ccc(cc1Cl)\N=C\c1ccc2[nH]ncc2c1
Clc1cc(cnc1Cl)\N=C\c1ccc2[nH]ncc2c1
Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Cn1ncc2cc(\C=N\c3ccc(Cl)c(Cl)c3)ccc12
Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Clc1cc(NC(=O)c2ccc3[nH]ncc3c2)cnc1Cl
Fc1cc(NC(=O)c2ccc3[nH]ncc3c2)ccc1Cl
Fc1cc(ccc1Cl)\N=C\c1ccc2[nH]ncc2c1
COCCn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)\N=C\c1ccc2[nH]ncc2c1
CCN(CC)CCCOc1ccc(C(C)=O)c(O)c1
CC(=O)c1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1O
CCN(CCCCCCCCCCCCOc1ccc(C(C)=O)c(O)c1)Cc1ccccc1
CC(=O)c1ccc(OCCCCCCCCCCN2CCC(CC2)c2ccccc2)cc1O
CC(=O)c1ccc(OCCCCCCCCCCN2CCN(Cc3ccccc3)CC2)cc1O
CC(=O)c1ccc(OCCCCCCCCCCN2CCC(Cc3ccccc3)CC2)cc1O
CC(=O)c1ccc(OCCCCCCCCCN2CCN(Cc3ccccc3)CC2)cc1O
CC(=O)c1ccc(OCCCCCCCCCN2CCC(Cc3ccccc3)CC2)cc1O
CC(=O)c1ccc(OCCCCCCN2CCc3ccccc3C2)cc1O
CCN(CCCCCOc1ccc(C(C)=O)c(O)c1)Cc1ccccc1
CC(=O)c1ccc(OCCCCCN2CCc3ccccc3C2)cc1O
CC(=O)c1ccc(OCCCCCN2CCC(Cc3ccccc3)CC2)cc1O
CCN(CCCCOc1ccc(C(C)=O)c(O)c1)Cc1ccccc1
COc1cc2CCN(CCCCOc3ccc(C(C)=O)c(O)c3)Cc2cc1OC
CCN(CCCOc1ccc(C(C)=O)c(O)c1)Cc1ccccc1
COc1cc2CCN(CCCOc3ccc(C(C)=O)c(O)c3)Cc2cc1OC
CC(=O)c1ccc(OCCCN2CCc3ccccc3C2)cc1O
CC(=O)c1ccc(OCCCN2CCC(Cc3ccccc3)CC2)cc1O
CCN(CC)CCOc1ccc(C(C)=O)c(O)c1
CC(=O)c1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1O
CC(=O)c1ccc(OCCCCCCCCCCCCN2CCC(Cc3ccccc3)CC2)cc1O
CC(=O)c1ccc(OCCCCCCCCCN2CCc3ccccc3C2)cc1O
CC(=O)c1ccc(OCCCCCCN2CCC(Cc3ccccc3)CC2)cc1O
CCN(CC)CCCCOc1ccc(C(C)=O)c(O)c1
CC(=O)c1ccc(OCCCCN2CCC(Cc3ccccc3)CC2)cc1O
CC(=O)c1ccc(OCCCN2CCC(CC2)c2ccccc2)cc1O
CCN(CCOc1ccc(C(C)=O)c(O)c1)Cc1ccccc1
CC(=O)c1ccc(OCCCCN2CCc3ccccc3C2)cc1O
CCN(CCCCCCCCCCOc1ccc(C(C)=O)c(O)c1)Cc1ccccc1
CCN(CC)CCCCCCOc1ccc(C(C)=O)c(O)c1
Oc1ccc(\C=C\C(=O)NCCc2c[nH]c3ccc(O)cc23)cc1
CN(C)C(=O)Oc1cccc(\C=C\C(=O)c2ccccc2OC(=O)N(C)C)c1
CN(C)C(=O)Oc1cccc(\C=C\C(=O)c2ccccc2O)c1
CON(C)C(=O)Oc1cccc(\C=C\C(=O)c2ccccc2O)c1
CCN(CC)C(=O)Oc1cccc(\C=C\C(=O)c2ccccc2O)c1
Oc1ccccc1C(=O)\C=C\c1cccc(OC(=O)N2CCOCC2)c1
CON(C)C(=O)Oc1cccc(\C=C\C(=O)c2ccccc2OC(=O)N(C)OC)c1
CCN(CC)C(=O)Oc1cccc(\C=C\C(=O)c2ccccc2OC(=O)N(CC)CC)c1
Oc1cccc(\C=C\C(=O)c2ccccc2O)c1
O=C(Oc1cccc(\C=C\C(=O)c2ccccc2OC(=O)N(c2ccccc2)c2ccccc2)c1)N(c1ccccc1)c1ccccc1
Oc1ccccc1C(=O)\C=C\c1cccc(OC(=O)N(c2ccccc2)c2ccccc2)c1
CCN(C)C(=O)Oc1cccc(\C=C\C(=O)c2ccccc2OC(=O)N(C)CC)c1
O=C(Oc1cccc(\C=C\C(=O)c2ccccc2OC(=O)N2CCOCC2)c1)N1CCOCC1
Oc1cc(OCCCN2CCc3ccccc3C2)ccc1C(=O)\C=C\c1ccc(F)cc1
Oc1ccccc1C(=O)\C=C\c1cccc(OCCCN2CCc3ccccc3C2)c1
Oc1ccccc1C(=O)\C=C\c1cccc(OCCCCCCN2CCc3ccccc3C2)c1
Oc1ccccc1C(=O)\C=C\c1cccc(OCCCCN2CCC(Cc3ccccc3)CC2)c1
COc1ccccc1\C=C\C(=O)c1ccc(OCCCCN2CCc3ccccc3C2)cc1O
Oc1ccccc1C(=O)CCc1cccc(OCCCCN2CCc3ccccc3C2)c1
Oc1ccccc1C(=O)\C=C\c1cccc(OCCCCCN2CCc3ccccc3C2)c1
CN(C)c1ccc(\C=C\C(=O)c2ccc(OCCCCCCN3CCc4ccccc4C3)cc2O)cc1
Oc1ccccc1C(=O)\C=C\c1cccc(OCCCCN2CCc3ccccc3C2)c1
CCc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3cccc(F)c3)cc2oc1=O
COc1ccc2cc(Cn3ccc(=O)c(O)c3C)c(=O)oc2c1
CCc1c(O)c(=O)ccn1Cc1cc2ccc(OCC#C)cc2oc1=O
CCc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3ccccc3)cc2oc1=O
CCc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O
Cc1cc(=O)c(O)cn1Cc1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O
Cc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O
Cc1cc(=O)c(O)cn1Cc1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O
Cc1cc(=O)c(O)cn1Cc1cc2ccc(OCc3ccccc3)cc2oc1=O
CCc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O
Cc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3cccc(F)c3)cc2oc1=O
Cc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3ccccc3)cc2oc1=O
Cc1cc(=O)c(O)cn1Cc1cc2ccc(OCc3cccc(F)c3)cc2oc1=O
CCc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3cc(F)cc(F)c3)cc2oc1=O
Fc1ccc(cc1F)[C@@H]1C[C@H]1NCC1CCN(CC1)c1ncnc2sc(CC(F)(F)F)cc12 |r|
Fc1ccc(cc1F)[C@@H]1C[C@H]1NC[C@H]1CC[C@@H](CC1)Nc1ncnc2sc(CC(F)(F)F)cc12 |r,wU:13.14,10.12,wD:16.21,8.8,(9.47,-44.07,;9.47,-42.53,;8.14,-41.76,;8.14,-40.22,;9.48,-39.45,;10.81,-40.22,;10.81,-41.76,;12.14,-42.53,;9.48,-37.92,;8.72,-36.58,;10.26,-36.58,;11.6,-35.82,;12.93,-36.59,;14.26,-35.83,;14.28,-34.29,;15.6,-33.52,;16.94,-34.28,;16.94,-35.83,;15.6,-36.59,;18.27,-33.51,;18.27,-31.97,;16.93,-31.2,;16.94,-29.67,;18.26,-28.9,;19.6,-29.66,;21.07,-29.18,;21.98,-30.43,;23.52,-30.43,;24.29,-29.1,;24.99,-27.89,;25.88,-28.84,;23.72,-27.59,;21.07,-31.69,;19.6,-31.2,)|
FC(F)(F)Cc1cc2c(ncnc2s1)N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
FC(F)(F)Cc1cc2c(ncnc2s1)N1CCC(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r|
FC(F)(F)Cc1cc2c(ncnc2s1)N1CCC(CN[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
[H][C@@]1(CC[C@@H](CC1)Nc1ncnc2sc(CC(F)(F)F)cc12)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:4.7,23.25,1.0,wD:25.29,(8.89,-11.32,;10.38,-11.72,;11.71,-12.48,;13.05,-11.72,;13.05,-10.18,;11.72,-9.41,;10.39,-10.18,;14.38,-9.41,;14.38,-7.87,;13.05,-7.1,;13.05,-5.56,;14.38,-4.79,;15.71,-5.55,;17.19,-5.07,;18.09,-6.32,;19.63,-6.32,;20.4,-4.99,;21.1,-3.78,;21.99,-4.73,;19.84,-3.49,;17.19,-7.58,;15.71,-7.1,;9.04,-12.48,;9.04,-14.02,;8.27,-15.36,;9.81,-15.37,;11.13,-16.14,;11.12,-17.68,;12.45,-18.45,;13.78,-17.69,;13.79,-16.14,;12.46,-15.37,)|
[H][C@@]1(CC[C@@H](CC1)Nc1ncnc2sc(CC(F)(F)F)cc12)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:4.7,25.29,1.0,wD:23.25,(9.54,-31.9,;11.02,-32.3,;12.36,-33.07,;13.7,-32.31,;13.69,-30.76,;12.36,-30,;11.03,-30.76,;15.03,-29.99,;15.03,-28.45,;13.69,-27.68,;13.69,-26.14,;15.02,-25.37,;16.36,-26.13,;17.83,-25.66,;18.74,-26.91,;20.28,-26.91,;21.05,-25.57,;21.75,-24.36,;22.64,-25.31,;20.48,-24.07,;17.83,-28.17,;16.36,-27.68,;9.69,-33.07,;9.69,-34.61,;8.92,-35.94,;10.45,-35.95,;11.77,-36.72,;11.77,-38.27,;13.09,-39.04,;14.43,-38.28,;14.43,-36.73,;13.1,-35.96,)|
[H][C@]1(CC[C@@H](CC1)Nc1ncnc2sc(CC(F)(F)F)cc12)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:4.7,25.29,wD:23.25,1.0,(45.13,-11.67,;46.62,-12.08,;47.95,-12.84,;49.29,-12.08,;49.29,-10.53,;47.96,-9.77,;46.63,-10.54,;50.62,-9.76,;50.62,-8.22,;49.29,-7.45,;49.29,-5.92,;50.62,-5.15,;51.96,-5.91,;53.43,-5.43,;54.33,-6.68,;55.87,-6.68,;56.64,-5.35,;57.34,-4.14,;58.23,-5.09,;56.08,-3.84,;53.43,-7.94,;51.96,-7.45,;45.29,-12.84,;45.29,-14.38,;44.51,-15.71,;46.05,-15.72,;47.37,-16.49,;47.36,-18.04,;48.69,-18.81,;50.02,-18.05,;50.03,-16.5,;48.7,-15.73,)|
[H][C@@]1(CC[C@@H](CC1)Nc1ncnc2sc(CC(F)(F)F)cc12)N[C@@H]1C[C@H]1c1ccc(F)c(F)c1 |r,wU:4.7,23.25,1.0,wD:25.29,(28.47,-10.27,;29.95,-10.68,;31.29,-11.44,;32.63,-10.68,;32.62,-9.13,;31.29,-8.37,;29.96,-9.14,;33.96,-8.36,;33.96,-6.82,;32.62,-6.05,;32.62,-4.52,;33.95,-3.75,;35.29,-4.51,;36.76,-4.03,;37.67,-5.28,;39.21,-5.28,;39.98,-3.95,;40.68,-2.74,;41.57,-3.69,;39.41,-2.44,;36.76,-6.54,;35.29,-6.05,;28.62,-11.44,;28.62,-12.98,;27.85,-14.32,;29.38,-14.32,;30.7,-15.1,;30.7,-16.64,;32.02,-17.41,;33.36,-16.65,;34.69,-17.42,;33.36,-15.1,;34.7,-14.33,;32.03,-14.33,)|
FC(F)(F)Cc1cc2c(N[C@H]3CC[C@H](CN[C@@H]4C[C@H]4c4ccccc4)CC3)ncnc2s1 |r,wU:13.13,16.15,wD:10.9,18.19,(22.9,-3.07,;22.2,-4.28,;23.79,-4.02,;21.63,-2.78,;21.43,-5.62,;19.89,-5.62,;18.98,-6.87,;17.51,-6.39,;16.18,-7.16,;16.18,-8.7,;14.84,-9.47,;13.51,-8.7,;12.18,-9.47,;12.17,-11.01,;10.84,-11.78,;9.51,-11,;8.17,-11.77,;6.63,-11.77,;7.39,-13.1,;7.39,-14.64,;6.05,-15.4,;6.05,-16.94,;7.38,-17.72,;8.72,-16.94,;8.72,-15.41,;13.51,-11.78,;14.85,-11.01,;14.84,-6.39,;14.84,-4.85,;16.17,-4.08,;17.51,-4.84,;18.98,-4.36,)|
FC(F)(F)Cc1cc2c(ncnc2s1)N1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
FC(F)(F)Cc1cc2c(N[C@H]3CC[C@H](CN[C@H]4C[C@@H]4c4ccccc4)CC3)ncnc2s1 |r,wU:13.13,18.19,wD:10.9,16.15,(24.01,-13.97,;23.31,-15.18,;24.9,-14.92,;22.75,-13.68,;22.54,-16.52,;21,-16.52,;20.1,-17.78,;18.62,-17.29,;17.29,-18.06,;17.29,-19.6,;15.96,-20.37,;14.62,-19.61,;13.3,-20.37,;13.28,-21.91,;11.95,-22.68,;10.62,-21.91,;9.28,-22.67,;7.74,-22.67,;8.5,-24.01,;8.5,-25.54,;7.16,-26.31,;7.16,-27.84,;8.49,-28.62,;9.83,-27.85,;9.83,-26.31,;14.62,-22.68,;15.96,-21.92,;15.95,-17.29,;15.96,-15.75,;17.28,-14.98,;18.62,-15.74,;20.09,-15.27,)|
Fc1ccc(cc1F)[C@@H]1C[C@H]1NC1CCN(CC1)c1ncnc2sc(CC(F)(F)F)cc12 |r|
[H][C@]1(CC[C@@H](CC1)Nc1ncnc2sc(CC(F)(F)F)cc12)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:4.7,23.25,wD:25.29,1.0,(27.01,-33.63,;28.5,-34.03,;29.83,-34.8,;31.17,-34.03,;31.17,-32.49,;29.84,-31.72,;28.51,-32.49,;32.5,-31.72,;32.5,-30.18,;31.17,-29.41,;31.17,-27.87,;32.5,-27.1,;33.84,-27.86,;35.31,-27.38,;36.22,-28.64,;37.75,-28.64,;38.52,-27.3,;39.23,-26.09,;40.11,-27.04,;37.96,-25.8,;35.31,-29.89,;33.84,-29.41,;27.17,-34.79,;27.17,-36.33,;26.39,-37.67,;27.93,-37.68,;29.25,-38.45,;29.24,-39.99,;30.57,-40.76,;31.91,-40,;31.91,-38.45,;30.58,-37.69,)|
[H][C@]1(CC[C@@H](CC1)Nc1ncnc2sc(CC(F)(F)F)cc12)N[C@@H]1C[C@H]1c1ccc(F)c(F)c1 |r,wU:4.7,23.25,wD:25.29,1.0,(47.64,-31.55,;49.12,-31.95,;50.46,-32.71,;51.8,-31.95,;51.79,-30.41,;50.46,-29.64,;49.14,-30.41,;53.13,-29.64,;53.13,-28.1,;51.79,-27.33,;51.8,-25.79,;53.12,-25.02,;54.46,-25.78,;55.93,-25.3,;56.84,-26.55,;58.38,-26.55,;59.15,-25.22,;59.85,-24.01,;60.74,-24.96,;58.59,-23.72,;55.94,-27.81,;54.46,-27.33,;47.79,-32.71,;47.79,-34.25,;47.02,-35.59,;48.56,-35.6,;49.87,-36.37,;49.87,-37.91,;51.2,-38.68,;52.53,-37.92,;53.86,-38.7,;52.53,-36.37,;53.87,-35.6,;51.21,-35.6,)|
CCS(=O)(=O)c1ccc2oc(nc2c1)-c1ccc2[C@H](O)[C@@H](O)C=Cc2c1 |r,c:24|
Clc1ccc(cc1Cl)C(=O)Nc1ccc2[nH]ncc2c1
Clc1ccc(CC(=O)Nc2ccc3[nH]ccc3c2)cc1Cl
Fc1cc(ccc1Cl)C(=O)Nc1cc2cc[nH]c2cn1
Fc1cccc(Cl)c1C(=O)Nc1ccc2[nH]ncc2c1
Clc1cccc(C(=O)Nc2ccc3[nH]ncc3c2)c1Cl
CN(CC#C)Cc1ccc(Br)cc1
C[C@@H]1Cc2c(C)cc(c(O)c2C(=O)O1)-c1ccccc1 |r|
C[C@@H]1Cc2c(C)cc(N)c(O)c2C(=O)O1 |r|
C[C@@H]1Cc2c(C)cc(c(O)c2C(=O)O1)-c1cncnc1 |r|
COc1ccc(C)c2C[C@@H](C)OC(=O)c12 |r|
C[C@@H]1Cc2c(C)cc(I)c(O)c2C(=O)O1 |r|
Cc1ccc(O)c2C(=O)OCCc12
C[C@H]1Cc2c(C)ccc(O)c2C(=O)O1 |r|
COc1cccc2C[C@@H](C)OC(=O)c12 |r|
C[C@@H]1Cc2c(C)ccc(O)c2C(=O)O1 |r|
CC[C@@H]1Cc2c(C)cc(c(O)c2C(=O)O1)-c1cncnc1 |r|
C[C@@H]1Cc2c(C)cc(c(O)c2C(=O)O1)-c1ccccn1 |r|
C[C@@H]1Cc2c(C)cc(c(O)c2C(=O)O1)-c1ccncc1 |r|
C[C@@H]1Cc2c(C)cc(c(O)c2C(=O)O1)-c1ccc(N)cc1 |r|
C[C@@H]1Cc2c(C)cc(c(O)c2C(=O)O1)-c1ccc(O)cc1 |r|
C[C@@H]1Cc2c(C)cc(c(O)c2C(=O)O1)-c1ccc(C)cc1 |r|
C[C@@H]1Cc2c(C)cc(C(=O)NCCN3CCOCC3)c(O)c2C(=O)O1 |r|
C[C@@H]1Cc2c(C)cc(C(=O)N3CCOCC3)c(O)c2C(=O)O1 |r|
CCN(CC)C(=O)c1cc(C)c2C[C@@H](C)OC(=O)c2c1O |r|
C[C@@H]1Cc2c(C)cc(C(=O)N(C)C)c(O)c2C(=O)O1 |r|
COc1ccc(NCc2cc(C)c3C[C@@H](C)OC(=O)c3c2O)cc1 |r|
C[C@@H]1Cc2c(C)cc(C#N)c(O)c2C(=O)O1 |r|
C[C@@H]1Cc2c(C)cc(CO)c(O)c2C(=O)O1 |r|
CCCc1cc(C)c2C[C@@H](C)OC(=O)c2c1O |r|
CCc1cc(C)c2C[C@@H](C)OC(=O)c2c1O |r|
C[C@@H]1Cc2c(C)cc(Br)c(O)c2C(=O)O1 |r|
C[C@@H]1Cc2c(C)cc(Cl)c(O)c2C(=O)O1 |r|
C[C@@H]1Cc2c(ccc(O)c2C(=O)O1)C(O)=O |r|
C[C@H]1Cc2cccc(O)c2C(=O)O1 |r|
C[C@@H]1Cc2cccc(O)c2C(=O)O1 |r|
Cc1cc2cccc(O)c2c(=O)o1
COc1ccc(C)c2C[C@H](C)OC(=O)c12 |r|
CC[C@@H]1Cc2c(C)cc(c(O)c2C(=O)O1)-c1ccc(N)cc1 |r|
C[C@@H]1Cc2c(C)cc(c(O)c2C(=O)O1)-c1cccnc1 |r|
C[C@@H]1Cc2c(C)cc(c(O)c2C(=O)O1)-c1ccc(cc1)C(F)(F)F |r|
C[C@@H]1Cc2c(C)cc(C(=O)N3CCN(C)CC3)c(O)c2C(=O)O1 |r|
C[C@@H]1Cc2c(C)cc(N(C)C)c(O)c2C(=O)O1 |r|
C[C@@H]1Cc2c(C)cc(C(O)=O)c(O)c2C(=O)O1 |r|
C[C@@H]1Cc2c(C)cc(C)c(O)c2C(=O)O1 |r|
CCc1ccc(O)c2C(=O)O[C@H](C)Cc12 |r|
Cc1ccc(O)c2C(=O)OC(C)(C)Cc12
C[C@@H]1Cc2c(CO)ccc(O)c2C(=O)O1 |r|
C[C@@H]1Cc2c(C)cc(c(O)c2C(=O)O1)-c1cccc(N)c1 |r|
CCCCc1cc(C)c2C[C@@H](C)OC(=O)c2c1O |r|
C[C@@H]1Cc2c(O)ccc(O)c2C(=O)O1 |r|
CC[C@@H]1Cc2c(C)ccc(O)c2C(=O)O1 |r|
C[C@@H]1Cc2c(C)cc(c(O)c2C(=O)O1)-c1cccc(c1)[N+]([O-])=O |r|
C[C@@H]1Cc2c(C)cc(c(O)c2C(=O)O1)[N+]([O-])=O |r|
C[C@@H]1Cc2c(C)cc(NC(=O)C=C)c(O)c2C(=O)O1 |r|
C#CCNC1CCc2cc(OCCCN3CCCCC3)ccc12
C#CCNC1CCc2ccc(OCCCN3CCCCC3)cc12
Cn1c2ccc(OCc3cccc(Cl)c3)cc2[nH]c1=O
Clc1ccc(COc2ccc3NC(=O)C(=O)c3c2)cc1Cl
Fc1ccc(CCOc2ccc3NC(=O)C(=O)c3c2)cc1
Fc1ccc(COc2ccc3NC(=O)Cc3c2)cc1
CC(C)C1C(=O)Nc2ccc(OCc3cccc(F)c3)cc12
Cn1c2cc(OCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O
Cn1c2cc(OCc3ccc(Cl)cc3)ccc2[nH]c1=O
Cn1c2cc(OCCCc3ccccc3)ccc2[nH]c1=O
CCn1c2cc(OCCOc3ccc(cc3)C(C)C)ccc2[nH]c1=O
CCn1c2cc(OCCOc3cccc(F)c3)ccc2[nH]c1=O
Fc1ccc(COc2ccc3NC(=O)C(=O)c3c2)cc1
CC(C)c1ccc(OCCOc2ccc3[nH]c(=O)n(C(C)C)c3c2)cc1
CC1(C)C(=O)Nc2ccc(OCc3ccc(Cl)c(Cl)c3)cc12
Fc1ccc(CCOc2ccc3NC(=O)Cc3c2)cc1
Clc1cccc(COc2ccc3NC(=O)C(=O)c3c2)c1
Clc1ccc(COc2ccc3NC(=O)Cc3c2)cc1Cl
CCn1c2cc(OCc3ccc(cc3)C(F)(F)F)ccc2[nH]c1=O
CC1(C)C(=O)Nc2ccc(OCc3cccc(Cl)c3)cc12
CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1csc(CN)n1)-c1ccccc1
CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)-c1ccccc1
Cn1cc(cn1)-c1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)S(C)(=O)=O
CCc1cc(cc(c1)S(=O)(=O)c1csc(CN)n1)-c1cnn(C)c1
CCc1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)-c1ccccc1
Cn1cc(cn1)-c1cc(cc(c1)S(=O)(=O)c1csc(CN)n1)S(C)(=O)=O
Oc1cn2CCN(Cc3ccc(Cl)cc3Cl)Cc2cc1=O
Oc1cn2CCN(Cc3ccccc3Cl)Cc2cc1=O
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2ccc(=O)oc12
COc1cc2c(cc1O)OC(=O)C=C2
O=c1ccc2cc3ccoc3cc2o1
O=c1ccc2c3occc3ccc2o1
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12
O=c1ccc2ccc3occc3c2o1
CC#CCN(C)Cc1cc2cc(O)ccc2n1C
COc1ccc2n(C)c(CN(C)CC#CC)cc2c1
CCNCc1cn(Cc2ccccc2)c2ccccc12
CC#CCN(C)Cc1cc2ccccc2n1C
Cn1c(CNCC#C)cc2cc(O)ccc12
COc1ccc2n(C)c(CNCC#C)cc2c1
C#CCN(Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccccc1
C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1
C(NCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
CN(CC#C)Cc1cc2cc(O)ccc2n1C
CN(CC#C)Cc1cn(Cc2ccccc2)c2ccccc12
CC#CCN(Cc1cc2ccccc2n1C)Cc1ccccc1
Cn1c(CN(CC#C)Cc2ccccc2)cc2ccccc12
COc1ccc2n(C)c(CN(C)CC#C)cc2c1
CNCc1cn(Cc2ccccc2)c2ccccc12
Cn1c(CNCc2ccccc2)cc2ccccc12
CN(CC#C)Cc1cc2ccccc2n1C
CC#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1
Cn1c(CNCC#C)cc2ccccc12
CC(C)NCc1cn(Cc2ccccc2)c2ccccc12
C(NCc1ccccc1)c1cc2ccccc2[nH]1
Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4ccc(cc4)C#N)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccc(Cl)cc4)C3)ccc12
CCCCN1CCC(CC1)Oc1ccc2c(C)c(C)c(=O)oc2c1
CN1CCC(CC1)Oc1ccc2c(C)c(C)c(=O)oc2c1
Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4cccc(Cl)c4)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4cccc(Br)c4)C3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccc(cc4)C#N)C3)ccc12
Cc1c(C)c(=O)oc2cc(OC3CCN(Cc4ccc(cc4)C#N)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OC3CCN(Cc4ccc(Cl)cc4)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OC3CCN(CCc4ccccc4)CC3)ccc12
CN1CCC(COc2ccc3c(C)c(C)c(=O)oc3c2)CC1
Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4ccc(Cl)cc4)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4cccc(Cl)c4)C3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccc(F)cc4)C3)ccc12
COc1ccc(CN2CCCC(COc3ccc4c(C)c(C)c(=O)oc4c3)C2)cc1OC
Cc1c(C)c(=O)oc2cc(OCCCN3CCc4ccccc4C3)ccc12
Cc1c(C)c(=O)oc2cc(OC3CCN(Cc4ccccc4)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OC3CCN(Cc4cccc(Cl)c4)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OC3CCN(CC(=O)c4ccccc4)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccc(cc4)S(C)(=O)=O)C3)ccc12
Cc1c(C)c(=O)oc2cc(OCCCCN3CCc4ccccc4C3)ccc12
CN1CCCC(COc2ccc3c(C)c(C)c(=O)oc3c2)C1
Cn1c2nc3CN(CCc4ccc5OCOc5c4)CCn3c2c(=O)n(C)c1=O
COc1cccc(CCN2CCn3c(C2)nc2n(C)c(=O)n(C)c(=O)c32)c1
COc1cccc(c1)C#CCN1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21
Cn1c2nc3CN(Cc4csc(n4)-c4cccs4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)[C@@H]1CCCc2ccccc12 |r|
Cn1c2nc3CN(CCOc4ccccc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4cccc(F)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(Cc4ccc(Cl)c(Cl)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CC#Cc4ccc(Cl)c(Cl)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CC#Cc4cccc(Cl)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(Cc4cn(nn4)-c4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O
Cc1sc(nc1CN1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21)-c1ccc(cc1)C(F)(F)F
Cn1c2nc3CN(Cc4csc(n4)-c4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(Cc4csc(n4)-c4ccc(cc4)C(F)(F)F)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)C1CCN(Cc2ccccc2)CC1
Cn1c2nc3CN(Cc4nocc4-c4ccccc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)c1cccc(Cl)c1
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)C1CCc2ccccc12
COc1cccc2C[C@H](CCc12)N1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21 |r|
Cn1c2nc3CN(CCOc4cccc(F)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCCn4ccnc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCCn4cccc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCCc4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCCc4ccccc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CC(O)c4ccccc4)CCn3c2c(=O)n(C)c1=O
COc1ccc(CCN2CCn3c(C2)nc2n(C)c(=O)n(C)c(=O)c32)cc1OC
COc1cccc(CCN2CCn3c(C2)nc2n(C)c(=O)n(C)c(=O)c32)c1OC
Cn1c2nc3CN(CCc4ccc(Cl)cc4C(F)(F)F)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4ccc(Cl)c(Cl)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4cc(ccc4F)C(F)(F)F)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4cccc(F)c4F)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4cccc(c4)C(F)(F)F)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4ccccc4Br)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4ccccc4Cl)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4ccccc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)c1cccc2ccccc12
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)c1ccc(Br)cc1
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)c1cccc(F)c1
Cn1c2nc3CN(Cc4ccccc4)CCn3c2c(=O)n(C)c1=O
Cn1cnc2c1C(=O)N(C(=O)N2C)C
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)[C@H]1CCc2ccccc12 |r|
Cn1c2nc3CN(CCOc4ccccc4F)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4ccc(Cl)cc4Cl)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4ccc(O)cc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4ccccc4F)CCn3c2c(=O)n(C)c1=O
Cc1cc(CN2CCn3c(C2)nc2n(C)c(=O)n(C)c(=O)c32)n(C)n1
Cn1c2nc3CN(Cc4csc(n4)-c4cccc(Cl)c4)CCn3c2c(=O)n(C)c1=O
CC(CN1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21)c1ccccc1
COc1ccccc1CCN1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)c1ccc(Cl)cc1
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)C1Cc2ccccc2C1
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)[C@@H]1CCc2ccccc12 |r|
Cn1c2nc3CN(CCOc4ccc(Cl)c(Cl)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCCc4cccc(Br)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCn4cccc4)CCn3c2c(=O)n(C)c1=O
COc1ccc(Br)cc1CCN1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21
Cn1c2nc3CN(CCc4c(Cl)cccc4Cl)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4cccc(Br)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4cccc(Cl)c4)CCn3c2c(=O)n(C)c1=O
COc1cccc(c1)N1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)c1ccccc1
Cn1c2nc3CN(CC#N)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4cccs4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)c1ccc(F)cc1
Nc1ccc2ncc(nc2c1)-c1ccccc1
[H][C@@]12COc3cc(O)ccc3[C@]1([H])Oc1cc3OCOc3cc21 |r|
c1ccc2c(c1)c3ccncc3[nH]2
[#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|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1 |r|
COc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
[H][C@@]12COc3c(O)c(OC)ccc3[C@]1([H])Oc1cc3OCOc3cc21 |r|
c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O
COC(=O)\C=C\C=C\c1ccc2OCOc2c1
[#6]-[#8]-c1ccc(cc1)-c1coc2cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1=O
[#6]\[#6](-[#6])=[#6]\[#6]\[#6](-[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1-[#8])=[#6](\[#6])-[#6] |r|
Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
Oc1ccccc1NC(=O)c1coc2ccccc2c1=O
Cc1cc(NC(=O)c2coc3ccccc3c2=O)cc(C)c1C
CCc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
Nc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
Fc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
Oc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
O=C(Nc1ccccc1)c1coc2ccccc2c1=O
CN(C)c1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
O=C(Nc1ccc(cc1)C#C)c1coc2ccccc2c1=O
Clc1ccccc1NC(=O)c1coc2ccccc2c1=O
Brc1ccccc1NC(=O)c1coc2ccccc2c1=O
Cc1cccc(NC(=O)c2coc3ccccc3c2=O)c1
Cc1cccc(NC(=O)c2coc3ccccc3c2=O)c1C
[H][C@](C)(Cc1ccccc1)N(C)CC#C
Cc1ccc(OC(=O)c2coc3ccccc3c2=O)cc1
Cc1ccc(SC(=O)c2coc3ccccc3c2=O)cc1
Cc1ccc(cc1)C(=O)Nc1coc2ccccc2c1=O
Oc1cccc(NC(=O)c2coc3ccccc3c2=O)c1
Brc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
Ic1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
Cc1ccc(NCc2coc3ccccc3c2=O)cc1
C=Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
Cc1ccccc1NC(=O)c1coc2ccccc2c1=O
CCCCc1c(CN(C)CC#C)nnn1C
CN(CC#C)Cc1cn(Cc2ccccc2)nn1
CN(CC#C)Cc1cccc(Cc2cn(C)nn2)c1
CCCCc1c(CCN(C)CC#C)nnn1-c1ccccc1
CCCc1c(CCN(C)CC#C)nnn1-c1ccccc1
CN(CCc1cn(Cc2ccccc2)nn1)CC#C
CCn1nnc(CCN(C)CC#C)c1C
CCn1nnc(CN(C)CC#C)c1C
CC(c1ccccc1)n1nnc(CCN(C)CC#C)c1C
CN(CCc1ccc(Cc2cn(C)nn2)cc1)CC#C
CCc1c(CCN(C)CC#C)nnn1-c1ccccc1
CCn1cc(CN(C)CC#C)nn1
CN(CC#C)Cc1cn(CCc2ccccc2)nn1
CN(CC#C)Cc1ccc(Cc2cn(C)nn2)cc1
CN(CCc1cn(CCc2ccccc2)nn1)CC#C
CCn1cc(CCN(C)CC#C)nn1
Cn1c2nc3N(Cc4ccc(F)cc4Cl)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccccc4Br)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccccc4Br)CCCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Cl)c(Cl)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(F)c(Br)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(F)c(Br)c4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4cc(F)c(F)c(F)c4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4cccs4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCc4ccncc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Cl)cc4F)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Br)cc4F)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Cl)c(c4)C(F)(F)F)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(cc4)C(C)(C)C)CCCn3c2c(=O)n(C)c1=O
Cc1cccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)c1
Cn1c2nc3N(Cc4c(F)cccc4Cl)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4cc(Cl)ccc4Cl)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccccc4Cl)CCCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccccc4F)CCCCn3c2c(=O)n(C)c1=O
COc1ccccc1CN1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Cn1c2nc3N(Cc4ccc(Cl)cc4)CCCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Cl)c(Cl)c4)CCCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Cl)cc4Cl)CCCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccccc4Br)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCc4cccnc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4cc(Br)ccc4F)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4cccc(Br)c4)CCCn3c2c(=O)n(C)c1=O
Cc1ccccc1CN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Cn1c2nc3N(Cc4cccc(Br)c4)CCCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(F)c(Br)c4)CCCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4cccc(Br)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Cl)c(F)c4)CCCn3c2c(=O)n(C)c1=O
COc1ccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1Cl
Cn1c2nc3N(Cc4ccccc4F)CCCn3c2c(=O)n(C)c1=O
COc1ccc(Cl)c(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)c1F
COc1ccccc1CN1CCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Cn1c2nc3N(Cc4cc(ccc4Cl)C(F)(F)F)CCCn3c2c(=O)n(C)c1=O
[#6]-[#6]-[#6]-[#6](=O)-c1c(-[#8])c(-[#6]-[#6]-2=[#6](-[#8])[C@]([#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6](-[#8])=[#6](-[#6](-[#6])=O)-[#6]-2=O)c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]-[#6] |r,c:10,t:26|
[#6]-[#6]-[#6]-[#6](=O)-c1c(-[#8])c(-[#6]-[#6]-2=[#6](-[#8])[C@]([#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6](-[#8])=[#6](-[#6](-[#6])=O)-[#6]-2=O)c(-[#8])cc1-[#8]-[#6] |r,c:10,t:26|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#6])cc(-[#8])cc1-[#8]
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6]=O)c1-[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6]=O)c1-[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#6])c(-[#6]=O)c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6](-[#8])=O)c1-[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#6])cc(-[#8])c(-[#8])c1-[#8]
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#6])cc(-[#8])c(-[#8])c1-[#8]
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6](-[#6])-[#6](=O)-[#6](-[#8])=[#6](-[#8])-[#6]-1=O |c:10,t:16|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6](-[#6])-[#6](=O)-[#6](-[#8])=[#6](-[#8])-[#6]-1=O |c:15,t:21|
COc1ccc(cc1)C1CC(=O)Oc2cc(O)ccc12
COc1cc(ccc1O)C1CC(=O)Oc2cc(O)ccc12
COc1ccc(cc1OC)C1CC(=O)Oc2ccc(O)cc12
COc1ccc(cc1)C1CC(=O)Oc2c(O)c(O)ccc12
COc1cc(ccc1O)C1CC(=O)Oc2c(O)c(O)ccc12
Oc1ccc(cc1O)C1CC(=O)Oc2c(O)c(O)ccc12
COc1ccc(cc1)C1CC(=O)Oc2cc(O)cc(O)c12
COc1ccc(cc1OC)C1CC(=O)Oc2cc(O)cc(O)c12
COc1cc(ccc1O)C1CC(=O)Oc2cc(O)cc(O)c12
Oc1ccc(cc1)C1CC(=O)Oc2cc(O)cc(O)c12
COc1ccc(cc1)C1CC(=O)Oc2c(O)cc(O)cc12
COc1ccc(cc1OC)C1CC(=O)Oc2c(O)cc(O)cc12
COc1ccc(cc1OC)-c1cc(=O)oc2c(O)c(O)ccc12
COc1cc(cc(OC)c1OC)-c1cc(=O)oc2c(O)c(O)ccc12
COc1ccc(cc1OC)-c1cc(=O)oc2cc(O)cc(O)c12
Oc1ccc2c(cc(=O)oc2c1)-c1ccc(O)c(O)c1
Oc1ccc(cc1)-c1cc(=O)oc2c(O)c(O)ccc12
Oc1ccc(cc1O)-c1cc(=O)oc2c(O)c(O)ccc12
Oc1ccc2c(cc(=O)oc2c1O)-c1cc(O)c(O)c(O)c1
Oc1cc(O)c2oc(=O)cc(-c3ccc(O)c(O)c3)c2c1
CN(CC#C)Cc1cc2ccccc2oc1=O
COc1ccc2cc(CN(C)CC#C)c(=O)oc2c1
COc1cc2cc(CN(C)CC#C)c(=O)oc2cc1OC
CN(CC#C)c1nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N
Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)\C=C\c1cccc(Br)c1
Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)\C=C\c1cccc(c1)C#N
Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)\C=C\c1ccc(cc1)C#N
Oc1cccc(\C=C\C(=O)c2cc(O)c(O)c(c2)[N+]([O-])=O)c1
Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)\C=C\c1cccs1
Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)\C=C\c1ccsc1
Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)\C=C\c1nccs1
Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)\C=C\c1ccoc1
Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)\C=C\c1ccco1
Cn1cc(\C=C\C(=O)c2cc(O)c(O)c(c2)[N+]([O-])=O)cn1
CC(=O)N1N=C(CC1c1cccc(c1)C#N)c1cc(O)c(O)c(c1)[N+]([O-])=O |c:4|
CC(=O)N1N=C(CC1c1ccc(cc1)C#N)c1cc(O)c(O)c(c1)[N+]([O-])=O |c:4|
CC(=O)N1N=C(CC1c1cccc(O)c1)c1cc(O)c(O)c(c1)[N+]([O-])=O |c:4|
CC(=O)N1N=C(CC1c1nccs1)c1cc(O)c(O)c(c1)[N+]([O-])=O |c:4|
CC(=O)N1N=C(CC1c1ccoc1)c1cc(O)c(O)c(c1)[N+]([O-])=O |c:4|
CC(=O)N1N=C(CC1c1ccco1)c1cc(O)c(O)c(c1)[N+]([O-])=O |c:4|
CC(=O)N1N=C(CC1c1cccs1)c1cc(O)c(O)c(c1)[N+]([O-])=O |c:4|
COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O
Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2ccccc2oc1=O
Cc1cc(=O)c(O)cn1CCNC(=O)c1cc2ccccc2oc1=O
Oc1cn(CCNC(=O)c2cc3ccccc3oc2=O)ccc1=O
COc1ccc2cc(C(=O)NCCn3ccc(=O)c(O)c3C)c(=O)oc2c1
COc1cccc2cc(C(=O)NCCn3ccc(=O)c(O)c3C)c(=O)oc12
Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2cc(O)ccc2oc1=O
Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2cccc(O)c2oc1=O
Cc1ccc2cc(C(=O)NCCn3ccc(=O)c(O)c3C)c(=O)oc2c1
Cc1cccc2cc(C(=O)NCCn3ccc(=O)c(O)c3C)c(=O)oc12
Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2cc(OCc3ccccc3)ccc2oc1=O
Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2cccc(OCc3ccccc3)c2oc1=O
CCOc1ccc2cc(C(=O)NCCn3ccc(=O)c(O)c3C)c(=O)oc2c1
CCCOc1ccc2cc(C(=O)NCCn3ccc(=O)c(O)c3C)c(=O)oc2c1
Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2ccc(OCC#C)cc2oc1=O
Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O
Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2ccc(OCc3cccc(F)c3)cc2oc1=O
Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O
Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2ccc(OCc3cc(F)ccc3F)cc2oc1=O
Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2ccc(OCc3cc(F)cc(F)c3)cc2oc1=O
Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2ccc(OCc3ccc(cc3)C(F)(F)F)cc2oc1=O
COc1ccc(COc2ccc3cc(C(=O)NCCn4ccc(=O)c(O)c4C)c(=O)oc3c2)cc1
Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2ccc(OCc3ccccc3[N+]([O-])=O)cc2oc1=O
Cc1cccc(COc2ccc3cc(C(=O)NCCn4ccc(=O)c(O)c4C)c(=O)oc3c2)c1
CC(C)c1ccc(COc2ccc3cc(C(=O)NCCn4ccc(=O)c(O)c4C)c(=O)oc3c2)cc1
Cc1c(O)c(=O)ccn1CCNC(=O)c1cc2ccc(OCc3ccc(cc3)C(C)(C)C)cc2oc1=O
Cc1c(O)c(=O)ccn1CCC(=O)Nc1cc2ccccc2oc1=O
c1ccc(c(c1)COc2ccc(cc2)[C@H]3CC[C@H](N3)C(=O)N)F
COC(=O)C(C)c1ccc(c(F)c1)-c1ccc(NCc2cc(ccc2O)N(C)C)cc1
COC(=O)C(C)c1ccc(c(F)c1)-c1ccc(NCc2cc(NC(C)=O)ccc2O)cc1
COC(=O)C(C)c1ccc(c(F)c1)-c1ccc(NCc2ccccn2)cc1
COC(=O)C(C)c1ccc(c(F)c1)-c1ccc(NCc2nc(C)c(C)nc2C)cc1
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CCO)C2 |r|
NN(C\C=C\c1ccccc1)CC#C
C#CCNNC\C=C\c1ccccc1
NN(CCc1ccccc1)CC#C
C#CCNNCc1ccccc1
NN(CC#C)c1ccccc1
C#CCNNCCc1ccccc1
NN(CC#C)Cc1ccccc1
Cn1c(cc2ccccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
Cn1c(cc2cc(F)ccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
CCN(C)C(=O)Oc1ccc(\C=C\C(=O)N2CCN(Cc3ccccc3)CC2)cc1
CCN(C)C(=O)Oc1ccc(\C=C\C(=O)N2CCc3ccccc3C2)cc1
CCN(C)C(=O)Oc1ccc(\C=C\C(=O)N2CCC(Cc3ccccc3)CC2)cc1
CCN(CC)C(=O)\C=C\c1ccc(OC(=O)N(C)C)c(OC)c1
CCN(Cc1ccccc1)C(=O)\C=C\c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)c(OC)c1
CCN(C)C(=O)Oc1ccc(\C=C\C(=O)N(CC)Cc2ccccc2)cc1OC
COc1cc(\C=C\C(=O)N2CCCCC2)ccc1OC(=O)N(c1ccccc1)c1ccccc1
COc1cc(\C=C\C(=O)N2CCCCC2)ccc1OC(=O)N(C)C
CCN(C)C(=O)Oc1ccc(\C=C\C(=O)N2CCCCC2)cc1OC
COc1cc(\C=C\C(=O)N2CCN(Cc3ccccc3)CC2)ccc1OC(=O)N(c1ccccc1)c1ccccc1
COc1cc(\C=C\C(=O)N2CCN(Cc3ccccc3)CC2)ccc1OC(=O)N(C)C
CCN(CC)C(=O)Oc1ccc(\C=C\C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC
CON(C)C(=O)Oc1ccc(\C=C\C(=O)N2CCc3ccccc3C2)cc1OC
COc1cc(\C=C\C(=O)N2CCc3ccccc3C2)ccc1OC(=O)N(c1ccccc1)c1ccccc1
COc1cc(\C=C\C(=O)N2CCc3ccccc3C2)ccc1OC(=O)N(C)C
CCN(C)C(=O)Oc1ccc(\C=C\C(=O)N2CCc3ccccc3C2)cc1OC
CCN(CC)C(=O)Oc1ccc(\C=C\C(=O)N2CCc3ccccc3C2)cc1OC
COc1cc(\C=C\C(=O)N2CCC(Cc3ccccc3)CC2)ccc1OC(=O)N(c1ccccc1)c1ccccc1
COc1cc(\C=C\C(=O)N2CCC(Cc3ccccc3)CC2)ccc1OC(=O)N(C)C
CCN(C)C(=O)Oc1ccc(\C=C\C(=O)N2CCC(Cc3ccccc3)CC2)cc1OC
CCN(CC)C(=O)Oc1ccc(\C=C\C(=O)N2CCC(Cc3ccccc3)CC2)cc1OC
O=C(NC1CCN(Cc2ccccc2)CC1)c1coc2ccccc2c1=O
COc1ccc2occ(C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)c2c1
O=C(NC1CCN(Cc2ccccc2)CC1)c1coc2ccc(OCc3ccccc3)cc2c1=O
Cc1ccc2occ(C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)c2c1
Brc1ccc2occ(C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)c2c1
COc1ccc2c(c1)occ(C(=O)NC1CCN(Cc3ccccc3)CC1)c2=O
Brc1ccc2c(c1)occ(C(=O)NC1CCN(Cc3ccccc3)CC1)c2=O
O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2ccccc2o1
O=C(NCCC1CCN(Cc2ccccc2)CC1)c1coc2ccccc2c1=O
COc1ccc2occ(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)c2c1
O=C(NCCC1CCN(Cc2ccccc2)CC1)c1coc2ccc(OCc3ccccc3)cc2c1=O
Cc1ccc2occ(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)c2c1
Brc1ccc2occ(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)c2c1
COc1ccc2c(c1)occ(C(=O)NCCC1CCN(Cc3ccccc3)CC1)c2=O
Brc1ccc2c(c1)occ(C(=O)NCCC1CCN(Cc3ccccc3)CC1)c2=O
O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2ccccc2o1
C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1C)C(N)=O |r|
C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1F)C(N)=O |r|
C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1Cl)C(N)=O |r|
C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1C1CC1)C(N)=O |r|
C[C@H](N(CC#C)Cc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r|
C[C@H](N(CC#C)Cc1ccc(OCc2cccc(F)c2)cc1C)C(N)=O |r|
C[C@H](N(CC#C)Cc1ccc(OCc2cccc(F)c2)cc1F)C(N)=O |r|
C[C@H](N(CC#C)Cc1ccc(OCc2cccc(F)c2)cc1Cl)C(N)=O |r|
C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(=O)N(C)CC#C |r|
C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(=O)NCCN1CCOCC1 |r|
NC(=O)C1CN(Cc2ccc(OCc3cccc(F)c3)cc2)C1
NC(=O)C1CCN1Cc1ccc(OCc2cccc(F)c2)cc1
NC(=O)[C@@H]1CCN1Cc1ccc(OCc2cccc(F)c2)cc1 |r|
Cc1cc(OCc2cccc(F)c2)ccc1CN1CC[C@H]1C(N)=O |r|
NC(=O)[C@@H]1CCN1Cc1ccc(OCc2cccc(F)c2)cc1F |r|
NC(=O)[C@@H]1CCN1Cc1ccc(OCc2cccc(F)c2)cc1Cl |r|
NC(=O)[C@@H]1CCCN1Cc1ccc(OCc2cccc(F)c2)cc1 |r|
CC1(C)C[C@H](N(Cc2ccc(OCc3cccc(F)c3)cc2)C1)C(N)=O |r|
CC1(C)C[C@H](N(Cc2ccc(OCc3cccc(F)c3)cc2F)C1)C(N)=O |r|
NC(=O)[C@@H]1CC(F)(F)CN1Cc1ccc(OCc2cccc(F)c2)cc1 |r|
NC(=O)[C@@H]1CC(F)(F)CN1Cc1ccc(OCc2cccc(F)c2)cc1F |r|
NC(=O)[C@@H]1COCCN1Cc1ccc(OCc2cccc(F)c2)cc1 |r|
NC(=O)[C@@H]1COCCN1Cc1ccc(OCc2cccc(F)c2)cc1F |r|
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/F)c2nccs2)c(F)c1
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/Br)c2ccccc2)c(F)c1
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/Br)c2ccc(cc2)C#N)c(F)c1
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/F)c2csc(c2)C#N)c(F)c1
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/Br)c2ccccc2C#N)c(F)c1
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C\c2cccnc2)c(F)c1
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/Br)c2c(C)oc[n+]2C)c(F)c1
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/Br)c2cncc(c2)C#N)c(F)c1
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/F)c2nnn(C)n2)c(F)c1
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C\c2cncc(c2)C#N)c(F)c1
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/F)c2cccc(c2)C(C)=O)c(F)c1
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/Br)c2cccc(C=O)c2)c(F)c1
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/Br)c2ccncc2)c(F)c1
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/Br)c2cccc(CO)c2)c(F)c1
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/Br)c2cccnc2)c(F)c1
COC(=O)c1cccc(c1)C(\Br)=C\c1ccc(cc1F)N1C[C@H](CNC(C)=O)OC1=O
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/F)c2cccnc2)c(F)c1
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/F)c2cncnc2)c(F)c1
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/Br)c2cccc(c2)C#N)c(F)c1
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/F)c2cccc(c2)C#N)c(F)c1
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/F)c2cccc(C=O)c2)c(F)c1
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/F)c2cncc(c2)C#N)c(F)c1
O=c1c2ccccc2oc2ccc(OCCCCCN3CCCCC3)cc12
Clc1ccc2oc3ccc(OCCCCCN4CCCCC4)cc3c(=O)c2c1
O=c1c2ccccc2oc2ccc(OCCCCCCN3CCCCC3)cc12
Clc1ccc2c(c1)oc1ccc(OCCCCCCN3CCCCC3)cc1c2=O
Clc1ccc2oc3ccc(OCCCCCCN4CCCCC4)cc3c(=O)c2c1
CC1CCCN(CCCCCOc2ccc3oc4ccccc4c(=O)c3c2)C1
CC1CCCN(CCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)C1
CC1CCCN(CCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)C1
CC1CCCN(CCCCCCOc2ccc3oc4ccccc4c(=O)c3c2)C1
CC1CCCN(CCCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)C1
CC1CCCN(CCCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)C1
CC1CCN(CCCCCOc2ccc3oc4ccccc4c(=O)c3c2)CC1
CC1CCN(CCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)CC1
CC1CCN(CCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)CC1
CC1CCN(CCCCCCOc2ccc3oc4ccccc4c(=O)c3c2)CC1
CC1CCN(CCCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)CC1
CC1CCN(CCCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)CC1
O=c1c2ccccc2oc2ccc(OCCCCCN3CCCCCC3)cc12
Clc1ccc2c(c1)oc1ccc(OCCCCCN3CCCCCC3)cc1c2=O
Clc1ccc2oc3ccc(OCCCCCN4CCCCCC4)cc3c(=O)c2c1
O=c1c2ccccc2oc2ccc(OCCCCCCN3CCCCCC3)cc12
Clc1ccc2c(c1)oc1ccc(OCCCCCCN3CCCCCC3)cc1c2=O
Clc1ccc2oc3ccc(OCCCCCCN4CCCCCC4)cc3c(=O)c2c1
Clc1cccc(Cn2ccc3c(cccc23)N2CCN(CCOc3cccc4C(CCc34)NCC#C)CC2)c1
Clc1cccc(Cn2ccc3c(cccc23)N2CCN(CCCOc3cccc4C(CCc34)NCC#C)CC2)c1
Clc1cccc(Cn2ccc3c(cccc23)N2CCN(CCCCOc3cccc4C(CCc34)NCC#C)CC2)c1
Clc1cccc(Cn2ccc3c(cccc23)N2CCN(CCCCCOc3cccc4C(CCc34)NCC#C)CC2)c1
Clc1cccc(Cn2ccc3c(cccc23)N2CCN(CCCCCCOc3cccc4C(CCc34)NCC#C)CC2)c1
O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCOc2cccc3C(CCc23)NCC#C)CC1
O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCCOc2cccc3C(CCc23)NCC#C)CC1
C[C@H](NCc1ccc(OCCCN2CCN(CC2)c2cccc3n(Cc4cccc(Cl)c4)ccc23)cc1)C(N)=O |r|
C[C@H](NCc1ccc(OCCCCN2CCN(CC2)c2cccc3n(Cc4cccc(Cl)c4)ccc23)cc1)C(N)=O |r|
C[C@H](NCc1ccc(OCCCCCN2CCN(CC2)c2cccc3n(Cc4cccc(Cl)c4)ccc23)cc1)C(N)=O |r|
C[C@H](NCc1ccc(OCCCCCCN2CCN(CC2)c2cccc3n(Cc4cccc(Cl)c4)ccc23)cc1)C(N)=O |r|
C[C@H](NCc1ccc(OCCCCN2CCN(CC2)c2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1)C(N)=O |r|
C[C@H](NCc1ccc(OCCCCCN2CCN(CC2)c2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1)C(N)=O |r|
CN(CC#C)Cc1ccc(OCCCCN2CCN(CC2)c2cccc3n(Cc4cccc(Cl)c4)ccc23)cc1
CN(CC#C)Cc1ccc(OCCCCCN2CCN(CC2)c2cccc3n(Cc4cccc(Cl)c4)ccc23)cc1
CN(CC#C)Cc1ccc(OCCCCCCN2CCN(CC2)c2cccc3n(Cc4cccc(Cl)c4)ccc23)cc1
CN(CC#C)Cc1ccc(OCCCCN2CCN(CC2)c2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
CN(CC#C)Cc1ccc(OCCCCCN2CCN(CC2)c2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
Cc1cc(=O)c(O)c(CO)n1CCCn1cc(COc2ccc3ccc(=O)oc3c2)nn1
CCc1c(O)c(=O)ccn1CCCn1cc(COc2cc3ccccc3oc2=O)nn1
Brc1cnc2c3ccccc3nn2c1
Clc1cccc2nn3cc(Br)cnc3c12
Fc1cccc2nn3cc(Br)cnc3c12
Brc1ccc2nn3cc(Br)cnc3c2c1
[O-][N+](=O)c1ccc2nn3cc(Br)cnc3c2c1
Brc1ccc2c(c1)nn1cc(Br)cnc21
FC(F)(F)c1ccc2c(c1)nn1cc(Br)cnc21
Brc1cnc2c3ncccc3nn2c1
Brc1cnc2c3cccnc3nn2c1
Brc1cnc2c3nccnc3nn2c1
CSc1ccc(cc1)-c1cnc2c3ccccc3nn2c1
Fc1ncccc1-c1cnc2c3ccccc3nn2c1
COc1ccc(cc1)-c1cnc2c3ccccc3nn2c1
COc1ccc(cc1)-c1cnc2c3c(Cl)cccc3nn2c1
COc1ccc(cc1)-c1cnc2c3c(F)cccc3nn2c1
COc1ccccc1-c1cnc2c3cccnc3nn2c1
COc1cccc(c1)-c1cnc2c3cccnc3nn2c1
COc1ccc(cc1)-c1cnc2c3cccnc3nn2c1
CC(=O)c1ccc(cc1)-c1cnc2c3cccnc3nn2c1
CCOC(=O)c1ccc(cc1)-c1cnc2c3cccnc3nn2c1
CS(=O)(=O)c1ccc(cc1)-c1cnc2c3cccnc3nn2c1
FC(F)(F)c1cccc(c1)-c1cnc2c3cccnc3nn2c1
Fc1ccc(cn1)-c1cnc2c3cccnc3nn2c1
c1csc(c1)-c1cnc2c3cccnc3nn2c1
C(=C/c1cnc2c3cccnc3nn2c1)\c1ccccc1
COc1ccc(cc1)-c1cnc2c3ncccc3nn2c1
c1ccc(cc1)-c1cnc2c3ncccc3nn2c1
c1cc(cs1)-c1cnc2c3ncccc3nn2c1
COc1ccc(cc1)-c1cnc2c3nccnc3nn2c1
CCOC(=O)c1ccccc1-c1cnc2c3nccnc3nn2c1
OC[C@H]1O[C@@H](OCCc2ccc(OC(=O)c3ccccc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Cc1ccc(cc1)C1CC(=NN1C(=O)Cn1c2ccccc2oc1=O)c1ccccc1 |c:10|
COc1cccc(c1)C1CC(=NN1C(=O)Cn1c2ccccc2oc1=O)c1ccccc1 |c:11|
COc1ccc(cc1OC)C1CC(=NN1C(=O)Cn1c2ccccc2oc1=O)c1ccccc1 |c:13|
Cc1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(=O)Cn1c2ccccc2oc1=O |t:8|
COc1cccc(C2CC(=NN2C(=O)Cn2c3ccccc3oc2=O)c2ccc(C)cc2)c1OC |c:9|
COc1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(=O)Cn1c2ccccc2oc1=O |t:9|
COc1ccc(cc1)C1=NN(C(C1)c1cccc(OC)c1OC)C(=O)Cn1c2ccccc2oc1=O |t:9|
COc1ccccc1C1=NN(C(C1)c1ccccc1Cl)C(=O)Cn1c2ccccc2oc1=O |t:9|
COc1cccc(c1)C1=NN(C(C1)c1ccccc1Cl)C(=O)Cn1c2ccccc2oc1=O |t:9|
COc1ccc(cc1)C1=NN(C(C1)c1ccccc1Cl)C(=O)Cn1c2ccccc2oc1=O |t:9|
Cc1ccc(cc1)C1CC(=NN1C(=O)Cn1c2cc(C)ccc2oc1=O)c1ccccc1 |c:10|
COc1cccc(c1)C1CC(=NN1C(=O)Cn1c2cc(C)ccc2oc1=O)c1ccccc1 |c:11|
COc1ccc(cc1OC)C1CC(=NN1C(=O)Cn1c2cc(C)ccc2oc1=O)c1ccccc1 |c:13|
Cc1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(=O)Cn1c2cc(C)ccc2oc1=O |t:8|
COc1cccc(C2CC(=NN2C(=O)Cn2c3cc(C)ccc3oc2=O)c2ccc(C)cc2)c1OC |c:9|
COc1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(=O)Cn1c2cc(C)ccc2oc1=O |t:9|
COc1ccc(cc1)C1=NN(C(C1)c1cccc(OC)c1OC)C(=O)Cn1c2cc(C)ccc2oc1=O |t:9|
COc1ccccc1C1=NN(C(C1)c1ccccc1Cl)C(=O)Cn1c2cc(C)ccc2oc1=O |t:9|
COc1cccc(c1)C1=NN(C(C1)c1ccccc1Cl)C(=O)Cn1c2cc(C)ccc2oc1=O |t:9|
COc1ccc(cc1)C1=NN(C(C1)c1ccccc1Cl)C(=O)Cn1c2cc(C)ccc2oc1=O |t:9|
Cc1ccc(cc1)C1CC(=NN1C(=O)Cn1c2cc(Cl)ccc2oc1=O)c1ccccc1 |c:10|
COc1cccc(c1)C1CC(=NN1C(=O)Cn1c2cc(Cl)ccc2oc1=O)c1ccccc1 |c:11|
COc1ccc(cc1OC)C1CC(=NN1C(=O)Cn1c2cc(Cl)ccc2oc1=O)c1ccccc1 |c:13|
Cc1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(=O)Cn1c2cc(Cl)ccc2oc1=O |t:8|
COc1cccc(C2CC(=NN2C(=O)Cn2c3cc(Cl)ccc3oc2=O)c2ccc(C)cc2)c1OC |c:9|
COc1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(=O)Cn1c2cc(Cl)ccc2oc1=O |t:9|
COc1ccc(cc1)C1=NN(C(C1)c1cccc(OC)c1OC)C(=O)Cn1c2cc(Cl)ccc2oc1=O |t:9|
COc1ccccc1C1=NN(C(C1)c1ccccc1Cl)C(=O)Cn1c2cc(Cl)ccc2oc1=O |t:9|
COc1cccc(c1)C1=NN(C(C1)c1ccccc1Cl)C(=O)Cn1c2cc(Cl)ccc2oc1=O |t:9|
COc1ccc(cc1)C1=NN(C(C1)c1ccccc1Cl)C(=O)Cn1c2cc(Cl)ccc2oc1=O |t:9|
O=C(Cn1c2ccccc2oc1=O)N\N=C(/C=C/c1ccccc1)\c1ccccc1
COc1cccc(\C=C\C(=N/NC(=O)Cn2c3ccccc3oc2=O)\c2ccccc2)c1
COc1ccccc1\C(\C=C\c1ccccc1Cl)=N\NC(=O)Cn1c2ccccc2oc1=O
COc1ccc(cc1)\C(\C=C\c1ccccc1Cl)=N\NC(=O)Cn1c2ccccc2oc1=O
COc1ccc(cc1)\C(\C=C\c1ccccc1)=N\NC(=O)Cn1c2cc(C)ccc2oc1=O
COc1ccccc1\C(\C=C\c1ccccc1Cl)=N\NC(=O)Cn1c2cc(C)ccc2oc1=O
COc1ccccc1\C=C\C(=N/NC(=O)Cn1c2cc(Cl)ccc2oc1=O)\c1ccccc1
COc1ccc(cc1)\C(\C=C\c1cccc(OC)c1OC)=N\NC(=O)Cn1c2cc(Cl)ccc2oc1=O
COc1ccccc1\C(\C=C\c1ccccc1Cl)=N\NC(=O)Cn1c2cc(Cl)ccc2oc1=O
COc1cc2C(=O)O\C(=C/c3ccc(N4CCN(C)CC4)c(O)c3)c2cc1OC
COc1cc2C(=O)O\C(=C/c3ccc(O)c(c3)N3CCCCC3)c2cc1OC
CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccc(O)cc1O |c:4|
CC(=O)N1N=C(CC1c1ccccc1C)c1ccc(O)cc1O |c:4|
ONC(=O)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 |r|
S=c1oc(nn1CCC#N)-c1ccc(cc1)-c1ccccc1
O=c1oc(nn1CCC#N)-c1ccc(cc1)-c1ccccc1
FC(F)(F)CCCOc1ccc2C(=O)CCc2c1
FC(F)(F)CCCOc1ccc2c(c1)c(=O)c(=O)c2=O
S=c1sc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
O=C1CN(CCC#N)N=C(O1)c1ccc(OCc2ccccc2)cc1 |c:8|
O=c1sc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
Cc1cc2C(=O)c3ccc(OCCCC(F)(F)F)cc3-c2nn1
COCC(COc1ccc(OCc2cccc(c2)C(F)(F)F)cc1C(C)=O)C(=O)OC
[H][C@@]12COc3cc(N4CCSCC4)c(F)cc3N1C(=O)O[C@H]2CNC(C)=O |r|
[H][C@@]12COc3cc(N4CC[S+]([O-])CC4)c(F)cc3N1C(=O)O[C@H]2CNC(C)=O |r|
CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCSCC3
NC(=O)\C=C1/CCc2c1cc(F)cc2F
CN(Cc1cccc(F)c1)C(=O)c1cccn1C
Cn1cccc1C(=O)NCc1ccccc1F
CN(Cc1ccccc1)C(=O)c1cccn1C
CN(Cc1ccc(F)cc1)C(=O)c1cccn1C
CN(CC#C)C(=C)c1ccc[nH]1
O=C(NCCN1CCOCC1)c1ccc[nH]1
c1cc([nH]c1)C(=O)NCc2ccc(cc2)F
Cn1cccc1C(=O)NCc1ccc(F)cc1
Fc1cccc(CNC(=O)c2ccc[nH]2)c1
Fc1ccccc1CNC(=O)c1ccc[nH]1
CN(Cc1ccccc1)C(=C)c1cccn1C
CN(Cc1ccccc1)C(=C)c1ccc[nH]1
O=C(NCC1CCCCC1)c1ccc[nH]1
Cn1cccc1C(=O)NCc1ccccc1
Cn1cccc1C(=O)NCc1cccc(F)c1
CN(Cc1ccccc1F)C(=O)c1cccn1C
O=c1ccoc2ccc(OCCCCN3CCCCC3)cc12
O=c1ccoc2ccc(OCCCCN3CCCC3)cc12
O=c1ccoc2ccc(OCCCN3CCOCC3)cc12
CNc1nnc(CCc2c[nH]c3ccc(OC)cc23)o1
COc1ccc2[nH]cc(CCc3nn(CC4CCCC4)c(=O)o3)c2c1
COc1ccc2[nH]cc(CCc3nn(CC4CCC4)c(=O)o3)c2c1
COc1ccc2[nH]cc(\C=C\c3n[nH]c(=O)o3)c2c1
COc1ccc2CCC=C(\C=C\c3n[nH]c(=O)o3)c2c1 |t:8|
O=C(Nc1ccccc1)OC1CCN(CC#C)CC1
O=C(Nc1ccccc1)OCC1CCN(CC#C)CC1
O=C(Nc1ccccc1)OC1CCN(Cc2ccccc2)CC1
O=C(Nc1ccccc1)OCC1CCN(Cc2ccccc2)CC1
O=C(Nc1ccccc1)OC1CCN(CC1)C1Cc2ccccc2C1
O=C(Nc1ccccc1)OCC1CCN(CC1)C1Cc2ccccc2C1
CC(C)c1ccc(NC(=O)OC2CCN(CC#C)CC2)cc1
CC(C)c1ccc(NC(=O)OCC2CCN(CC#C)CC2)cc1
CC(C)c1ccc(NC(=O)OC2CCN(Cc3ccccc3)CC2)cc1
CC(C)c1ccc(NC(=O)OCC2CCN(Cc3ccccc3)CC2)cc1
CC(C)c1ccc(NC(=O)OC2CCN(CC2)C2Cc3ccccc3C2)cc1
CC(C)c1ccc(NC(=O)OCC2CCN(CC2)C2Cc3ccccc3C2)cc1
CCN(C)C(=O)OC1CCN(CC#C)CC1
CCN(C)C(=O)OCC1CCN(CC#C)CC1
CCN(C)C(=O)OC1CCN(Cc2ccccc2)CC1
CCN(C)C(=O)OCC1CCN(Cc2ccccc2)CC1
CCN(C)C(=O)OC1CCN(CC1)C1Cc2ccccc2C1
CCN(C)C(=O)OCC1CCN(CC1)C1Cc2ccccc2C1
O=C(Nc1ccccc1)OC1CCCN(CC#C)C1
O=C(Nc1ccccc1)OCC1CCCN(CC#C)C1
O=C(Nc1ccccc1)OC1CCCN(Cc2ccccc2)C1
O=C(Nc1ccccc1)OCC1CCCN(Cc2ccccc2)C1
O=C(Nc1ccccc1)OC1CCCN(C1)C1Cc2ccccc2C1
O=C(Nc1ccccc1)OCC1CCCN(C1)C1Cc2ccccc2C1
CC(C)c1ccc(NC(=O)OC2CCCN(CC#C)C2)cc1
CC(C)c1ccc(NC(=O)OCC2CCCN(CC#C)C2)cc1
CC(C)c1ccc(NC(=O)OC2CCCN(Cc3ccccc3)C2)cc1
CC(C)c1ccc(NC(=O)OCC2CCCN(Cc3ccccc3)C2)cc1
CC(C)c1ccc(NC(=O)OC2CCCN(C2)C2Cc3ccccc3C2)cc1
CC(C)c1ccc(NC(=O)OCC2CCCN(C2)C2Cc3ccccc3C2)cc1
CCN(C)C(=O)OC1CCCN(CC#C)C1
CCN(C)C(=O)OCC1CCCN(CC#C)C1
CCN(C)C(=O)OC1CCCN(Cc2ccccc2)C1
CCN(C)C(=O)OCC1CCCN(Cc2ccccc2)C1
CCN(C)C(=O)OC1CCCN(C1)C1Cc2ccccc2C1
CCN(C)C(=O)OCC1CCCN(C1)C1Cc2ccccc2C1
CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
OC1CCN(CC#C)CC1
OC1CCCN(CC#C)C1
OCC1CCN(CC#C)CC1
OCC1CCCN(CC#C)C1
OC1CCN(Cc2ccccc2)CC1
OC1CCCN(Cc2ccccc2)C1
OCC1CCN(Cc2ccccc2)CC1
OCC1CCCN(Cc2ccccc2)C1
OC1CCN(CC1)C1Cc2ccccc2C1
OC1CCCN(C1)C1Cc2ccccc2C1
OCC1CCN(CC1)C1Cc2ccccc2C1
OCC1CCCN(C1)C1Cc2ccccc2C1
CN(CCCCOc1ccc2C(=O)CCc2c1)CC#C
CN(CCCCCOc1ccc2C(=O)CCc2c1)CC#C
CN(CCCCCCOc1ccc2C(=O)CCc2c1)CC#C
CN(CCCCCCOc1ccc2C(=O)COc2c1)CC#C
CN(CCCCOc1ccc2C(=O)CCCc2c1)CC#C
CN(CCCCCOc1ccc2C(=O)CCCc2c1)CC#C
CN(CCCCCCOc1ccc2C(=O)CCCc2c1)CC#C
CN(CCCOc1ccc2C(=O)CCOc2c1)CC#C
CN(CCCCOc1ccc2C(=O)CCOc2c1)CC#C
CN(CCCCCOc1ccc2C(=O)CCOc2c1)CC#C
CN(CCCCCCOc1ccc2C(=O)CCOc2c1)CC#C
CN(CCCCCCCCOc1ccc2C(=O)CCOc2c1)CC#C
CN(CCCCOc1ccc(cc1)C(C)=O)CC#C
CN(CCCCCCOc1ccc(cc1)C(C)=O)CC#C
COc1cccc(OCCCCCN(C)CC#C)c1
COc1cc(ccc1OCCCCN(C)CC#C)C(C)=O
COc1cc(ccc1OCCCCCN(C)CC#C)C(C)=O
COc1cc(OCCCCCN(C)CC#C)ccc1C=O
COc1cc(OCCCCCCN(C)CC#C)ccc1C=O
Cc1ccc(NC(=O)C2COc3ccccc3C2)cc1C
Clc1cccc(NC(=O)C2COc3ccccc3C2)c1
Clc1ccc(NC(=O)C2COc3ccccc3C2)cc1Cl
Cc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1C |t:8|
Clc1cccc(NC(=O)C2=Cc3ccccc3OC2)c1 |t:9|
COc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1OC |t:9|
Clc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1Cl |t:8|
Clc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
Cc1ccc(NC(=O)c2csc3ccccc3c2=O)cc1C
Clc1cccc(NC(=O)c2csc3ccccc3c2=O)c1
COc1cccc(CSc2cccc3C(CCc23)NCC#C)c1
COc1ccc(CSc2cccc3C(CCc23)NCC#C)cc1
Fc1cccc(CSc2cccc3C(CCc23)NCC#C)c1
Fc1ccc(CSc2cccc3C(CCc23)NCC#C)cc1F
Fc1ccc(CSc2cccc3C(CCc23)NCC#C)c(F)c1
FC(F)(F)c1ccc(CSc2cccc3C(CCc23)NCC#C)cc1
FC(F)(F)c1cccc(CSc2cccc3C(CCc23)NCC#C)c1
Clc1cccc(CSc2cccc3C(CCc23)NCC#C)c1
Clc1ccc(CSc2cccc3C(CCc23)NCC#C)c(Cl)c1
Clc1ccc(CSc2cccc3C(CCc23)NCC#C)cc1Cl
Cc1ccc(CSc2cccc3C(CCc23)NCC#C)cc1
Cc1cccc(CSc2cccc3C(CCc23)NCC#C)c1
Brc1cccc(CSc2cccc3C(CCc23)NCC#C)c1
Brc1ccc(CSc2cccc3C(CCc23)NCC#C)cc1
C#CCNC1CCc2c1cccc2SCc1ccc2ccccc2c1
Fc1cccc(CCSc2cccc3C(CCc23)NCC#C)c1
Fc1ccc(CCSc2cccc3C(CCc23)NCC#C)cc1F
Clc1cccc(CCSc2cccc3C(CCc23)NCC#C)c1
Clc1ccc(CCSc2cccc3C(CCc23)NCC#C)cc1
Clc1ccc(CCSc2cccc3C(CCc23)NCC#C)cc1Cl
FC(F)(F)c1cccc(CCSc2cccc3C(CCc23)NCC#C)c1
FC(F)(F)c1ccc(CCSc2cccc3C(CCc23)NCC#C)cc1
Cc1cccc(CCSc2cccc3C(CCc23)NCC#C)c1
Cc1ccc(CCSc2cccc3C(CCc23)NCC#C)cc1
COc1cccc(CCSc2cccc3C(CCc23)NCC#C)c1
COc1ccc(CCSc2cccc3C(CCc23)NCC#C)cc1
Brc1cccc(CCSc2cccc3C(CCc23)NCC#C)c1
Brc1ccc(CCSc2cccc3C(CCc23)NCC#C)cc1
FC(F)(F)c1cccc(COc2cccc3C(CCc23)NCC#C)c1
FC(F)(F)c1cccc(CNc2cccc3C(CCc23)NCC#C)c1
O=c1c(\C=C\c2ccccc2)coc2ccccc12
COc1ccc2c(c1)occ(\C=C\c1ccc(Cl)cc1)c2=O
Fc1ccc(\C=C\c2coc3ccccc3c2=O)cc1
Clc1ccc(\C=C\c2coc3ccccc3c2=O)cc1
CN(C)c1ccc(\C=C\c2coc3ccccc3c2=O)cc1
Oc1ccc(\C=C\c2coc3ccccc3c2=O)cc1
COc1ccc(\C=C\c2coc3ccccc3c2=O)cc1
COc1ccc(\C=C\c2coc3ccccc3c2=O)cc1OC
COc1cc(\C=C\c2coc3ccccc3c2=O)cc(OC)c1OC
COc1ccc2occ(\C=C\c3ccccc3)c(=O)c2c1
COc1ccc2occ(\C=C\c3ccc(F)cc3)c(=O)c2c1
COc1ccc2occ(\C=C\c3ccc(Cl)cc3)c(=O)c2c1
COc1ccc2occ(\C=C\c3ccc(cc3)N(C)C)c(=O)c2c1
COc1ccc2occ(\C=C\c3ccc(O)cc3)c(=O)c2c1
COc1ccc(\C=C\c2coc3ccc(OC)cc3c2=O)cc1
COc1ccc2occ(\C=C\c3ccc(OC)c(OC)c3)c(=O)c2c1
COc1ccc2occ(\C=C\c3cc(OC)c(OC)c(OC)c3)c(=O)c2c1
COc1ccc2c(c1)occ(\C=C\c1ccccc1)c2=O
COc1ccc2c(c1)occ(\C=C\c1ccc(F)cc1)c2=O
COc1ccc2c(c1)occ(\C=C\c1ccc(cc1)N(C)C)c2=O
COc1ccc2c(c1)occ(\C=C\c1ccc(O)cc1)c2=O
COc1ccc(\C=C\c2coc3cc(OC)ccc3c2=O)cc1
COc1ccc2c(c1)occ(\C=C\c1ccc(OC)c(OC)c1)c2=O
COc1ccc2c(c1)occ(\C=C\c1cc(OC)c(OC)c(OC)c1)c2=O
NC1CC1c1cc(F)cc(F)c1OCc1ccccc1
NC1CC1c1cccc(F)c1OCc1ccccc1
NC1CC1c1c(F)c(F)c(F)c(F)c1F
NC1CC1c1cccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c1 |r|
NC1CC1c1ccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)cc1 |r|
O=C(NCc1ccccc1)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
Clc1cccc(CNC(=O)[C@H](CCCCNC2CC2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)c1 |r|
FC(F)(F)c1cccc(CNC(=O)[C@H](CCCCNC2CC2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)c1 |r|
CN1CCN(CC1)C(=O)CN[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@@H]1C[C@H]1c1ccc(F)nc1 |r|
N[C@H]1CCN(C1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1 |r|
CN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1
Cn1cc(cn1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1NCC1CC1
CCN(CC)S(=O)(=O)c1ccc(cc1)[C@H]1C[C@@H]1N |r|
CCN(CC)S(=O)(=O)c1ccc(cc1)[C@H]1C[C@@H]1NC(=O)OC(C)(C)C |r|
CCN(CC)S(=O)(=O)c1ccc(cc1)[C@H]1C[C@@H]1NCc1ccccc1 |r|
NC1CC11CCc2ccccc12
COc1ccccc1CNC1CC11CCc2ccccc12
COc1ccc(Br)cc1CNC1CC11CCc2ccccc12
COc1ccc(CNC2CC22CCc3ccccc23)cc1OC
COc1ccc(CNC2CC22CCc3ccccc23)c(Cl)c1OC
Fc1ccccc1CNC1CC11CCc2ccccc12
COc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1
CCN(CCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1OC
CCN(CCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1OC
CCN(CCCCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1OC
CCN(CCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1N(C)C
CCN(CCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1N(C)C
CCN(CCCCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1N(C)C
CCN(CCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccc(cc1)N(C)C
CCN(CCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccc(cc1)N(C)C
CCN(CCCCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccc(cc1)N(C)C
CCN(CCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1
CCN(CCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1
CCN(CCCCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1
CCN(CC)CCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1
CCN(CCCOc1ccc(C(=O)\C=C\c2ccccc2)c(O)c1)Cc1ccccc1N(C)C
CCN(CCCCOc1ccc(\C=C\C(=O)c2ccc(cc2O)N(C)C)cc1)Cc1ccccc1OC
CCN(CCCCOc1ccc(\C=C\C(=O)c2ccc(cc2O)N(C)C)cc1)Cc1ccccc1N(C)C
CN(C)c1ccc(\C=C\C(=O)c2ccc(cc2O)N(C)C)cc1
COc1ccc(\C=C\C(=O)c2ccc(cc2O)N(C)C)cc1
CN(CC#C)C1=CC(=O)c2ccccc2C1=O |t:5|
O=C1C=C(NCC#C)C(=O)c2ccccc12 |t:2|
CN(CC#C)C1=C(Cl)C(=O)c2ccccc2C1=O |c:5|
ClC1=C(NCC#C)C(=O)c2ccccc2C1=O |c:1|
Clc1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1Cl
Cc1ccc(NC(=O)c2cn(C)c3ccccc3c2=O)cc1C
Cn1cc(C(=O)Nc2cccc(Cl)c2)c(=O)c2ccccc12
Cn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)c2ccccc12
Cc1ccc(cc1)-c1cc2occ(CNC3CCNC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2occ(CN3CCC[C@H](N)C3)c2cc1-c1ccc(cc1)C#N |r|
CNCCCN(C)Cc1coc2cc(-c3ccc(C)cc3)c(cc12)-c1ccc(cc1)C#N
Cc1ccc(cc1)C(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
NC(=S)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
O=C(Cn1c2ccccc2nc(Cc2ccccc2)c1=O)NNC(=S)Nc1ccccc1
CCOC(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
OCC(O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
[O-][N+](=O)c1ccccc1\C=C\C(=O)c1ccccc1
[O-][N+](=O)c1cccc(\C=C\C(=O)c2ccccc2)c1
c1ccc(cc1)/C=C/C(=O)c2cccc(c2)C(F)(F)F
c1ccc(cc1)/C=C/C(=O)c2ccc(cc2)C(F)(F)F
COc1ccc(cc1)C(=O)\C=C\c1ccccc1
CC(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
OCCc1c([nH]c2ccccc12)C(=O)C[C@@H]1CCNC[C@@H]1C=C |r|
OCCc1c([nH]c2ccccc12)C(=O)C[C@H]1CCNC[C@H]1C=C |r|
OCCc1c([nH]c2ccccc12)C(=O)CC1CCNCC1
O=C(CC1CCNCC1)c1cc2ccccc2[nH]1
Cc1c([nH]c2ccccc12)C(=O)CC1CCNCC1
[H][C@@]12Oc3cc(F)c(cc3CN1C(=O)O[C@H]2CNC(C)=O)-c1ccc(nc1)C#N |r|
Nc1nc-2c(Cc3ccc(OCCCN4CCCC4)cc-23)c(n1)-c1ccccc1
Cc1ccc(cc1)-c1c(N)nnc2c3ccccc3[nH]c12
Nc1nnc2c3cc(Br)ccc3[nH]c2c1-c1ccccc1
Cn1c2ccccc2c2nnc(N)c(-c3ccccc3F)c12 |(4.17,-1.29,;3.77,.2,;2.33,.74,;.96,.05,;-.33,.9,;-.25,2.41,;1.12,3.11,;2.42,2.27,;3.89,2.67,;4.61,4.04,;6.14,4.12,;6.99,2.81,;8.52,2.84,;6.27,1.44,;7.1,.14,;6.38,-1.21,;7.19,-2.52,;8.73,-2.45,;9.45,-1.1,;8.64,.2,;9.97,.98,;4.73,1.37,)|
Nc1nnc2c3ccccc3n(Cc3ccccc3)c2c1-c1ccccc1Cl |(8.52,2.84,;6.99,2.81,;6.14,4.12,;4.61,4.04,;3.89,2.67,;2.42,2.27,;1.12,3.11,;-.25,2.41,;-.33,.9,;.96,.05,;2.33,.74,;3.77,.2,;4.17,-1.29,;3.08,-2.37,;1.61,-1.98,;.52,-3.06,;.92,-4.54,;2.4,-4.94,;3.49,-3.85,;4.73,1.37,;6.27,1.44,;7.1,.14,;6.38,-1.21,;7.19,-2.52,;8.73,-2.45,;9.45,-1.1,;8.64,.2,;9.97,.98,)|
CC(C)c1ccc(cc1)-c1c(N)nnc2c3ccccc3n(C)c12
Cn1c2ccccc2c2nnc(N)c(-c3cccc(Br)c3)c12
CC(C)c1ccc(cc1)-c1c(N)nnc2c3ccccc3[nH]c12
CCn1c2ccccc2c2nnc(N)c(-c3ccc(C)cc3)c12
CCn1c2ccccc2c2nnc(N)c(-c3ccccc3)c12
CCn1c2ccccc2c2nnc(N)c(-c3ccc(cc3)C(C)C)c12
CC(C)c1ccc(cc1)-c1c(N)nnc2c3cc(Br)ccc3[nH]c12
ONC(=O)c1ccc(\C=C\c2ccnc(c2)-c2ccccc2O)cc1
Cc1ccc(c(F)c1)-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1
C[C@H]1C[C@H](N(Cc2ccc(OCc3cccc(F)c3)cc2)C1)C(N)=O |r|
C[C@@H]1C[C@H](N(Cc2ccc(OCc3cccc(F)c3)cc2)C1)C(N)=O |r|
NC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(OCc2cccc(F)c2)cc1 |r|
NC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(OCc2cccc(F)c2)cc1 |r|
NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1 |r|
NC(=O)[C@@H]1C[C@@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1 |r|
NC(=O)[C@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1 |r|
NC(=O)[C@H]1C[C@@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1 |r|
Cc1cc(OCc2cccc(F)c2)ccc1CN1C[C@@H](F)C[C@H]1C(N)=O |r|
Cc1cc(OCc2cccc(F)c2)ccc1CN1C[C@H](F)C[C@H]1C(N)=O |r|
NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1F |r|
NC(=O)[C@@H]1C[C@@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1F |r|
NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1Cl |r|
NC(=O)[C@@H]1C[C@@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1Cl |r|
Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4cccc(F)c4)C3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCCN(CCCC(F)F)C3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4cccc(F)c4)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4cccc(c4)C(F)(F)F)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCN(CCCC(F)F)CC3)ccc12
CCN(CCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1cccc(F)c1
CC(C)N(CCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1cccc(F)c1
CN(CCCC(F)F)Cc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1
CN(CCCC(F)F)Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
CN(CCCC(F)F)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccc(F)c1
CN(Cc1ccccc1)Cc2ccc(cc2)COc3ccc4c(c3)OC(=O)C=C4CO
CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(cc(=O)oc3c2)C(F)F)cc1
CC1=C(C(=O)Oc2c1ccc(c2)OCC3CCN(CC3)Cc4ccccc4)C
CN(CCCO)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
O=c1[nH]nc(\C=C\c2cccc(c2)C#N)o1
[O-][N+](=O)c1cccc(\C=C\c2n[nH]c(=O)o2)c1
COc1cccc(\C=C\c2n[nH]c(=O)o2)c1
COc1ccc(\C=C\c2n[nH]c(=O)o2)cc1
COc1ccc(\C=C\c2n[nH]c(=O)o2)c(OC)c1
COc1ccc(OC)c(\C=C\c2n[nH]c(=O)o2)c1
COc1ccc(\C=C\c2n[nH]c(=O)o2)cc1OC
O=c1[nH]nc(\C=C\c2ccc3OCOc3c2)o1
COc1cc(OC)cc(\C=C\c2n[nH]c(=O)o2)c1
COc1cc(\C=C\c2n[nH]c(=O)o2)cc(OC)c1OC
Oc1cccc(\C=C\c2n[nH]c(=O)o2)c1
Oc1ccc(\C=C\c2n[nH]c(=O)o2)cc1
Oc1ccc(\C=C\c2n[nH]c(=O)o2)cc1O
Oc1cc(O)cc(\C=C\c2n[nH]c(=O)o2)c1
O=c1oc(\C=C\c2ccccc2)nn1CC#C
COc1cccc(\C=C\c2nn(CC#C)c(=O)o2)c1
COc1ccc(\C=C\c2nn(CC#C)c(=O)o2)cc1
Oc1cccc(\C=C\c2nn(CC#C)c(=O)o2)c1
O=C(NCC#C)\C=C\c1cccc(c1)C#N
COc1cccc(\C=C\C(=O)NCC#C)c1
COc1ccc(\C=C\C(=O)NCC#C)cc1
Oc1cccc(\C=C\C(=O)NCC#C)c1
Oc1ccc(\C=C\C(=O)NCC#C)cc1
COc1cc(\C=C\C(=O)NCC#C)ccc1O
Oc1ccc(\C=C\C(=O)NCC#C)cc1O
COc1cc(\C=C\CNCC#C)ccc1O
COc1cc(\C=C\C(=O)N2CCc3ccccc3C2)ccc1OCCCCN(CNCc1ccccc1)CNCc1ccccc1
COc1cc(CC=C)ccc1OC(=O)\C=C\c1ccc(O)c(O)c1
Oc1ccc(\C=C\C(=O)Nc2cccc3ccccc23)cc1O
COc1ccc(\C=C\C(=O)NCCc2ccccc2)cc1O
Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1
COc1ccc2cc3-c4cc(O)c(O)cc4CC[n+]3cc2c1OC
CN(CC#C)Cc1cccc(NC(=O)CCCCCCC(=O)NO)c1
C[C@H](Cc1ccccc1)N(C)C(C)C#C |r|
CCN(CC)Cc1ccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1
CCN(CC)Cc1ccc(\C=C2/Cc3ccccc3C2=O)cc1
CCN(CC)Cc1ccc(\C=C2/Cc3cc(OC)ccc3C2=O)cc1
CCN(CC)Cc1ccc(C=C2Cc3cc(OC)ccc3C2=O)cc1
CCN(CC)Cc1ccc(\C=C2\Cc3cc(OC)ccc3C2=O)cc1
CCN(CC)Cc1ccc(\C=C2/Cc3ccc(OC)cc3C2=O)cc1
Oc1ccc(cc1-c1ccccc1)\N=N\c1ccc(C#N)c(c1)C#N
COc1ccc(cc1-c1ccccc1)\N=N\c1ccc(C#N)c(c1)C#N
Oc1ccc(cc1\N=N\c1ccc(C#N)c(c1)C#N)-c1ccccc1
CC(=O)Oc1ccc(cc1\N=N\c1ccc(C#N)c(c1)C#N)-c1ccccc1
COc1cc(S)c(cc1OC)\N=N\c1ccc(C#N)c(c1)C#N
COc1cc(S)c(cc1OC)\N=N\c1cccc(C#N)c1C#N
NCC(COc1ccc(F)cc1)=CF
NCC(COc1ccccc1)=CF
NC\C(COc1ccccc1)=C/F
Cc1ccccc1OC\C(CN)=C\F
NCC(=CF)C1Cc2ccccc2O1
NCC(=CF)[C@@H]1Cc2ccccc2O1
NCC(=CF)[C@H]1Cc2ccccc2O1
NCC(=C/F)[C@@H]1Cc2ccccc2O1
NCC(=C/F)[C@H]1Cc2ccccc2O1
Clc1ccccc1N1CCN(CCCOc2cc3C(=O)c4ccccc4-c4nccc(c2)c34)CC1
COc1ccccc1N1CCN(CCCOc2cc3C(=O)c4ccccc4-c4nccc(c2)c34)CC1
Clc1cccc(N2CCN(CCCOc3cc4C(=O)c5ccccc5-c5nccc(c3)c45)CC2)c1Cl
Fc1ccccc1N1CCN(CCCOc2cc3C(=O)c4ccccc4-c4nccc(c2)c34)CC1
O=C1c2ccccc2-c2nccc3cc(OCCCN4CCN(CC4)c4ccccc4)cc1c23
Clc1ccccc1N1CCN(CCCCOc2cc3C(=O)c4ccccc4-c4nccc(c2)c34)CC1
COc1ccccc1N1CCN(CCCCOc2cc3C(=O)c4ccccc4-c4nccc(c2)c34)CC1
Clc1cccc(N2CCN(CCCCOc3cc4C(=O)c5ccccc5-c5nccc(c3)c45)CC2)c1Cl
Fc1ccccc1N1CCN(CCCCOc2cc3C(=O)c4ccccc4-c4nccc(c2)c34)CC1
O=C1c2ccccc2-c2nccc3cc(OCCCCN4CCN(CC4)c4ccccc4)cc1c23
Clc1ccccc1N1CCN(CCCCCOc2cc3C(=O)c4ccccc4-c4nccc(c2)c34)CC1
COc1ccccc1N1CCN(CCCCCOc2cc3C(=O)c4ccccc4-c4nccc(c2)c34)CC1
Clc1cccc(N2CCN(CCCCCOc3cc4C(=O)c5ccccc5-c5nccc(c3)c45)CC2)c1Cl
Fc1ccccc1N1CCN(CCCCCOc2cc3C(=O)c4ccccc4-c4nccc(c2)c34)CC1
O=C1c2ccccc2-c2nccc3cc(OCCCCCN4CCN(CC4)c4ccccc4)cc1c23
Oc1cc2C(=O)c3ccccc3-c3nccc(c1)c23
C\C(=N/NC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O)c1ccc(O)cc1
COc1cc2CCNCc2cc1OC
COc1cc2CCN(Cc2cc1OC)c1ccc(C=O)cc1
COc1cc2CCN(Cc2cc1OC)c1ccc(F)cc1
COc1cc2CCN(Cc2cc1OC)c1cc(F)cc(F)c1
COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CCCc4ccccc4)CC3)c2cc1OC
COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCCN(C)C)nc2cc1OCc1ccccc1
Cn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Cc1ccc(cc1)-c1cc2cc(C)ccc2oc1=O
Cn1c(N\N=C(/C=C/c2cccc(Cl)c2)\c2ccccc2)nc2ccccc2c1=O
COc1cc2c(Nc3ccc(cc3)C(=O)\C=C\c3nc(C)c(C)nc3C)ncnc2c(OC)c1OC
NNC(=O)CN1C(Nc2ccccc2C1=O)c1ccc2OCOc2c1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
CC1(C)C(CCC1N[C@@H]1C[C@H]1c1ccccc1)N[C@@H]1C[C@H]1c1ccccc1 |r|
CN1CCN(CC1)C(=O)NC1CC1c1cc(F)cc(F)c1OCc1ccccc1
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCC(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccccc1F
Cn1cccc1C(=O)[C@H](N1CCSCC1)c1ccccc1
Cn1cccc1C(O)C(N1CCCCC1)c1ccccc1
Cn1cccc1C(O)CN1CCCCC1
CN(C)C(C(=O)c1cccn1C)c1ccccc1
Cn1cccc1C(=O)[C@@H](N1CCCCC1)c1ccccc1
CCOc1ccc(NC(C(=O)c2cccn2C)c2ccccc2)cc1
Cc1cccc(c1)N1CC(CO)OC1=O
Cn1cccc1C(=O)[C@H](N1CCCC1)c1ccccc1
Cn1cccc1C(=O)C(N1CCSCC1)c1ccccc1
CC(N1CCCCC1)C(=O)c1cccn1C
Cn1cccc1C(=O)[C@@H](N1CCSCC1)c1ccccc1
Cn1cccc1C(=O)C(N1C(=O)c2ccccc2C1=O)c1ccccc1
Cn1cccc1C(=O)C(N)c1ccccc1
Cn1cccc1C(=O)C(N1CCCCC1)c1ccccc1
Cn1cccc1C(=O)[C@@H](N1CCCC1)c1ccccc1
Cn1cccc1C(=O)C(N1CCN(Cc2ccccc2)CC1)c1ccccc1
CN1CCN(CC1)C(C(=O)c1cccn1C)c1ccccc1
Cn1cccc1C(=O)[C@H](N1CCCCC1)c1ccccc1
Cn1cccc1C(=O)CN1CCCCC1
Cn1cccc1C(=O)C(N1CCCC1)c1ccccc1
Cn1cccc1C(=O)C(N1CCOCC1)c1ccccc1
Clc1ccc(\C=N\c2ccc3cn[nH]c3c2)cc1Cl
CCN(CCCCOc1ccc(\C=C\C(=O)N2CCc3ccccc3C2)cc1OC)Cc1ccccc1
Nc1nc(cc(n1)-c1ccc(OCC#C)cc1)-c1ccc(OCCN2CCOCC2)cc1
C\C(=N/NC(=O)c1cc(on1)-c1ccccc1)c1ccc(C)cc1
COc1ccc(cc1OC)C(\C)=N\NC(=O)c1cc(on1)-c1ccccc1
Cn1ccc2cc(ccc12)-c1nc2ccc(F)cc2s1
CNCc1cc(=O)oc2c(O)c(O)ccc12
CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
CN1C(NC2C1N(C)C(=O)N(C)C2=O)C=Cc1cccc(Cl)c1 |w:15.17|
C(\C=C\c1ccccc1)=C/c1ccccc1
Fc1cc(F)c(OCc2cccnc2F)c(c1)[C@H]1C[C@@H]1NCC(=O)N1CCC2(CCNC2)CC1 |r|
Fc1cc(F)c(OCc2cccnc2F)c(c1)[C@@H]1C[C@H]1NCC(=O)N1CCC2(CCNC2)CC1 |r|
COc1ccc2CC\C(=C/c3ccc[nH]3)C(=O)c2c1
Oc1ccc2CC\C(=C/c3cccc(Br)c3)C(=O)c2c1
Oc1ccc2CC\C(=C/c3ccc(Cl)c(Cl)c3)C(=O)c2c1
OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Nc1c2ccccc2nc2ccccc12
Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1
O=C1c2ccccc2C(=O)c2cnccc12
Clc1c2ccccc2nc2ccccc12
COC1=CC2Sc3ccc(Cl)cc3NC2C=C1 |c:17,t:2|
Nc1c(C(O)=O)c2nc3c(cccc3oc2cc1=O)C(O)=O
Nc1ccc2C(=O)c3ccccc3C(=O)c2c1N
c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O
OC1c2ccccc2Oc2ccccc12
Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O
c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)O)O)O
Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12
C1c2ccccc2Oc2ccccc12
NNc1nc2ccccc2nc1Cc1ccccc1
Clc1cc2nc(Cc3ccccc3)c(NCCN3CCOCC3)nc2cc1Cl
NNc1nc2ccccc2nc1Cc1ccc(Cl)cc1
NNc1nc2cc(Cl)c(Cl)cc2nc1Cc1ccccc1
C(CN1CCOCC1)Nc1nc2ccccc2nc1Cc1ccccc1
OCCNc1nc2ccccc2nc1Cc1ccccc1
CNCCNc1nc2ccccc2nc1Cc1ccccc1
Clc1ccc(Cc2nc3ccccc3nc2NCCN2CCOCC2)cc1
CN(CC#C)C1CCc2ccccc2C1
C#CCNC1CCc2ccccc2C1
Cc1ccccc1CC1OC(=O)c2cc(ccc12)N1CC[C@@H](O)C1 |r|
Cc1ccccc1CC1OC(=O)c2cc(ccc12)N1CC[C@H](O)C1 |r|
O[C@@H]1CCN(C1)c1ccc2C(Cc3cccc(F)c3)OC(=O)c2c1 |r|
O[C@@H]1CCN(C1)c1ccc2C(Cc3ccc(F)cc3)OC(=O)c2c1 |r|
O[C@@H]1CCN(C1)c1ccc2C(Cc3ccc(OC(F)(F)F)cc3)OC(=O)c2c1 |r|
O[C@@H]1CCN(C1)c1ccc2C(Cc3ccc(cc3)C(F)(F)F)OC(=O)c2c1 |r|
O[C@H]1CCN(C1)c1ccc2C(Cc3ccc(cc3)C(F)(F)F)OC(=O)c2c1 |r|
Cc1c(F)cccc1CC1OC(=O)c2cc(ccc12)N1CC[C@@H](O)C1 |r|
Cc1ccc(CC2OC(=O)c3cc(ccc23)N2CC[C@@H](O)C2)cc1F |r|
Cc1cc(F)ccc1CC1OC(=O)c2cc(ccc12)N1CC[C@@H](O)C1 |r|
Cc1ccc(F)cc1CC1OC(=O)c2cc(ccc12)N1CC[C@@H](O)C1 |r|
Cc1cc(OC(F)(F)F)ccc1CC1OC(=O)c2cc(ccc12)N1CC[C@@H](O)C1 |r|
COc1ccc(CC2OC(=O)c3cc(ccc23)N2CC[C@@H](O)C2)c(C)c1 |r|
O[C@@H]1CCN(C1)c1ccc2C(Cc3ccc(cc3-c3ccccc3)C(F)(F)F)OC(=O)c2c1 |r|
O[C@@H]1CCN(C1)c1ccc2C(Cc3ccc(F)c(F)c3)OC(=O)c2c1 |r|
O[C@H]1CCN(C1)c1ccc2C(Cc3ccc(F)c(F)c3)OC(=O)c2c1 |r|
O[C@@H]1CCN(C1)c1ccc2C(Cc3cc(F)cc(F)c3)OC(=O)c2c1 |r|
O[C@@H]1CCN(C1)c1ccc2C(Cc3cc(F)ccc3F)OC(=O)c2c1 |r|
O[C@@H]1CCN(C1)c1ccc2C(Cc3ccc(Cl)cc3)OC(=O)c2c1 |r|
Nc1ccc(CC2OC(=O)c3cc(ccc23)N2CC[C@@H](O)C2)cc1 |r|
CC(=O)N[C@@H]1CCN(C1)c1ccc2C(Cc3ccc(F)cc3C)OC(=O)c2c1 |r|
CC(=O)N[C@@H]1CCN(C1)c1ccc2C(Cc3ccc(F)c(F)c3)OC(=O)c2c1 |r|
COC(=O)[C@@H]1CCN(C1)c1ccc2C(Cc3ccc(cc3)C(F)(F)F)OC(=O)c2c1 |r|
COC(=O)[C@H]1CCN(C1)c1ccc2C(Cc3ccc(cc3)C(F)(F)F)OC(=O)c2c1 |r|
COC(=O)[C@@H]1CCN(C1)c1ccc2C(Cc3ccc(F)c(F)c3)OC(=O)c2c1 |r|
COC(=O)[C@H]1CCN(C1)c1ccc2C(Cc3ccc(F)c(F)c3)OC(=O)c2c1 |r|
OC(=O)[C@@H]1CCN(C1)c1ccc2C(Cc3ccc(cc3)C(F)(F)F)OC(=O)c2c1 |r|
OC(=O)[C@@H]1CCN(C1)c1ccc2C(Cc3ccc(F)c(F)c3)OC(=O)c2c1 |r|
NC(=O)[C@@H]1CCN(C1)c1ccc2C(Cc3ccc(cc3)C(F)(F)F)OC(=O)c2c1 |r|
NC(=O)[C@H]1CCN(C1)c1ccc2C(Cc3ccc(cc3)C(F)(F)F)OC(=O)c2c1 |r|
NC(=O)[C@@H]1CCN(C1)c1ccc2C(Cc3ccc(F)c(F)c3)OC(=O)c2c1 |r|
NC(=O)[C@H]1CCN(C1)c1ccc2C(Cc3ccc(F)c(F)c3)OC(=O)c2c1 |r|
CO[C@@H]1CCN(C1)c1ccc2C(Cc3ccc(F)c(F)c3)OC(=O)c2c1 |r|
COCC1CN(c2noc3cc(OCCCC(F)(F)F)ccc23)[11C](=O)O1
Cc1ccc(cn1)-c1ccc2cc(OC[C@H](O)C[18F])ccc2n1 |r|
O=C1CSc2cc(OCc3ccccc3)ccc2N1
Clc1ccc(COc2ccc3NC(=O)CSc3c2)cc1
Cc1ccc(COc2ccc3NC(=O)CSc3c2)cc1
O=C1CSc2cc(OCc3ccc(cc3)C#N)ccc2N1
O=C1CSc2cc(OCC3CCCCC3)ccc2N1
O=C1CSc2cc(OCCCc3ccccc3)ccc2N1
O=C1CSc2cc(OCCc3ccccc3)ccc2N1
Brc1ccc(COc2ccc3NC(=O)CSc3c2)cc1
CCCOc1ccc2NC(=O)CSc2c1
Oc1ccc2NC(=O)CSc2c1
COc1ccc2NC(=O)CSc2c1
COc1ccc2cc(\C=N\Nc3nc(cs3)-c3cccc(c3)[N+]([O-])=O)ccc2c1
COc1ccc2cc(\C=N\Nc3nc(cs3)-c3ccc(cc3)[N+]([O-])=O)ccc2c1
CCOC(=O)Cc1csc(N\N=C\c2ccc3cc(OC)ccc3c2)n1
CCCCC1OC(=O)c2cc(OCc3ccc(CN(C)C)c(O)c3)ccc12
CCCCC1OC(=O)c2cc(OCc3ccc(CN(CC)CC)c(O)c3)ccc12
CCCCC1OC(=O)c2cc(OCc3ccc(CN4CCCC4)c(O)c3)ccc12
CCCCC1OC(=O)c2cc(OCc3ccc(CN4CCCCC4)c(O)c3)ccc12
CCCCC1OC(=O)c2cc(OCc3ccc(CN4CCOCC4)c(O)c3)ccc12
CCCCC1OC(=O)c2cc(OCc3ccc(CN4CCN(C)CC4)c(O)c3)ccc12
CCCCC1OC(=O)c2cc(OCc3ccc(CN4CCN(CC)CC4)c(O)c3)ccc12
CCCCC1OC(=O)c2cc(OCc3ccc(CN(CC)Cc4ccccc4)c(O)c3)ccc12
CCCCC1OC(=O)c2cc(OCc3cccc(CN4CCOCC4)c3O)ccc12
CCCCC1OC(=O)c2cc(OCc3cccc(O)c3)ccc12
CCCCC1OC(=O)c2cc(OCc3ccccc3O)ccc12
N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r|
N[C@H]1CC[C@@H](CC1)NC1CC1c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1 |r,wU:4.7,wD:1.0,(9.26,4.43,;7.93,3.66,;6.59,4.43,;5.26,3.66,;5.26,2.12,;6.59,1.35,;7.93,2.12,;3.93,1.35,;2.59,2.12,;1.82,3.46,;1.05,2.12,;-.28,1.35,;-.28,-.18,;-1.61,-.95,;-2.94,-.19,;-4.4,-.66,;-5.31,.58,;-4.4,1.83,;-2.94,1.35,;-1.61,2.12,;-4.8,-2.15,;-4.4,-3.64,;-3.31,-2.55,;-6.29,-2.55,;-6.69,-4.04,;-8.17,-4.43,;-9.26,-3.34,;-8.87,-1.86,;-7.38,-1.46,)|
N[C@H]1CC[C@H](CNC2CC2c2ccc3N(CCc3c2)S(=O)(=O)c2ccccc2)CC1 |r,wU:4.4,wD:1.0,(9.93,-.47,;8.59,.3,;8.59,1.84,;7.26,2.61,;5.93,1.84,;4.59,2.61,;3.26,1.84,;1.92,2.61,;1.15,3.94,;.38,2.61,;-.95,1.84,;-.95,.31,;-2.27,-.46,;-3.6,.3,;-5.07,-.18,;-5.97,1.07,;-5.07,2.32,;-3.6,1.84,;-2.28,2.61,;-5.47,-1.66,;-5.07,-3.15,;-3.98,-2.06,;-6.96,-2.06,;-7.35,-3.55,;-8.84,-3.94,;-9.93,-2.86,;-9.53,-1.37,;-8.05,-.97,;5.93,.3,;7.26,-.47,)|
CCS(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
Clc1ccc(CNC(=O)[C@H](CCCCNC2CC2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)cc1 |r|
Clc1cccc(c1)S(=O)(=O)n1ccc2c(N[C@H]3CCNC3)nc3ccccc3c12 |r|
Clc1cccc(c1)S(=O)(=O)n1ccc2c(N[C@H]3CCOC3)nc3ccccc3c12 |r|
Clc1cccc(Cn2ccc3c(N[C@H]4CCOC4)nc4ccccc4c23)c1 |r|
Clc1cccc(Cn2ccc3c(NC4CCOCC4)nc4ccccc4c23)c1
COc1cccc(Cn2ccc3c(NC4CCOCC4)nc4ccccc4c23)c1
Clc1cccc(Cn2ccc3c(NCC4CCCO4)nc4ccccc4c23)c1
Clc1cccc(Cn2ccc3c(NCC4CCOC4)nc4ccccc4c23)c1
COC1CCN(CC1)c1nc2ccccc2c2n(Cc3ccccc3)ccc12
COC1CCN(CC1)c1nc2ccccc2c2n(Cc3cccc(Cl)c3)ccc12
COC1CCN(CC1)c1nc2ccccc2c2n(Cc3cccc(OC)c3)ccc12
COC1CCCN(C1)c1nc2ccccc2c2n(Cc3cccc(Cl)c3)ccc12
COC1CCN(C1)c1nc2ccccc2c2n(Cc3cccc(Cl)c3)ccc12
Clc1cccc(Cn2ccc3c(nc4ccccc4c23)N2CC3(COC3)C2)c1
C(c1ccccc1)n1ccc2c(nc3ccccc3c12)N1CCC2(COC2)C1
Clc1cccc(Cn2ccc3c(nc4ccccc4c23)N2CCC3(COC3)C2)c1
OC1CCN(CC1)c1nc2ccccc2c2n(Cc3cccc(Cl)c3)ccc12
COc1cccc(Cn2ccc3c(nc4ccccc4c23)N2CCC(O)CC2)c1
OC1CCCN(C1)c1nc2ccccc2c2n(Cc3cccc(Cl)c3)ccc12
CN(CCO)c1nc2ccccc2c2n(Cc3cccc(Cl)c3)ccc12
Clc1cccc(Cn2ccc3c(nc4ccccc4c23)N2CCCCC2)c1
FC1(F)CCN(CC1)c1nc2ccccc2c2n(Cc3cccc(Cl)c3)ccc12
FC1(F)CCN(CC1)c1nc2ccccc2c2n(Cc3ccccc3)ccc12
Fc1ccccc1Cn1ccc2c(nc3ccccc3c12)N1CCC(F)(F)CC1
FC1(F)CCN(CC1)c1nc2ccccc2c2n(Cc3ccccc3Cl)ccc12
Fc1cccc(Cn2ccc3c(nc4ccccc4c23)N2CCC(F)(F)CC2)c1
COc1cccc(Cn2ccc3c(nc4ccccc4c23)N2CCC(F)(F)CC2)c1
Fc1ccc(Cn2ccc3c(nc4ccccc4c23)N2CCC(F)(F)CC2)cc1
FC1(F)CCN(CC1)c1nc2ccccc2c2n(Cc3ccc(Cl)cc3)ccc12
Cc1cc2C(=O)c3ccc(OCc4ccccc4)cc3-c2nn1
COc1ccc2C(=O)c3cc(C)nnc3-c2c1
CC\N=C1/CCc2c1n(C)c1ccc(OC(=O)NC)c(Br)c21
CC\N=C1/CCc2c1n(C)c1ccc(OC(=O)NC)c(Cl)c21
CCN(CC)C(=O)Oc1ccc2[nH]ccc2c1
CCN(CC)C(=O)Oc1ccc2ccn(CC#C)c2c1
CC1CCCCN1C(=S)SCCCCOc1ccc2c(C)c(Cl)c(=O)oc2c1
CC1CCCC(C)N1C(=S)SCCCCOc1ccc2c(C)c(Cl)c(=O)oc2c1
CCN(C)C(=O)Oc1cccc(CCC2CCN(CC#C)CC2)c1
O=C(Nc1ccccc1)Oc1cccc(CCC2CCN(CC#C)CC2)c1
O=C1NC(=O)\C(S1)=C/c1ccc(OCc2ccccc2)cc1
O=C1NC(=O)\C(S1)=C/c1ccc(NCc2ccccc2)cc1
O=C1NC(=O)\C(S1)=C/c1ccc(OCC#C)cc1
O=C1NC(=O)\C(S1)=C/c1ccc(NCC#C)cc1
O=C1NC(=O)\C(S1)=C/c1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1
O=C1NC(=O)\C(S1)=C/c1ccc(NCCN2CCN(Cc3ccccc3)CC2)cc1
O=C1NC(=O)\C(S1)=C/c1ccc(OCCN2CCN(CC#C)CC2)cc1
O=C1NC(=O)\C(S1)=C/c1ccc(NCCN2CCN(CC#C)CC2)cc1
C\C(=N/NCCCN1C(=O)S\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O)c1ccncc1
C\C(=N/NCCCN1C(=O)S\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O)c1cccs1
O=C1S\C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1CCCNCC#C
[O-][N+](=O)c1ccc(\C=C2\SC(=O)N(CCCNCC#C)C2=O)cc1
C\C(=N/NCN1C(=O)S\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O)c1ccncc1
C\C(=N/NCN1C(=O)S\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O)c1cccs1
O=C1S\C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1CNCC#C
[O-][N+](=O)c1ccc(\C=C2\SC(=O)N(CNCC#C)C2=O)cc1
[O-][N+](=O)c1ccc(\C=C2\SC(=O)N(CN3CCN(CC#C)CC3)C2=O)cc1
O=C1S\C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1CN1CCN(CC#C)CC1
CCc1ccc(nc1)CCOc2ccc(cc2)C[C@@H]3C(=O)NC(=O)S3
Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O
CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1
CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3ccccn3
CN(C)c1ccc(\C=C2/SC(=O)N(CCN)C2=O)cc1
CCOc1ccc(\C=C2/SC(=O)N(CCN)C2=O)cc1
O=c1[nH]c2ccc(OCc3ccccc3)cc2c(=O)o1
Brc1ccc(COc2ccc3[nH]c(=O)oc(=O)c3c2)cc1
Cc1ccc(COc2ccc3[nH]c(=O)oc(=O)c3c2)cc1
Fc1ccc(COc2ccc3[nH]c(=O)oc(=O)c3c2)cc1
O=c1[nH]c2ccc(OCc3ccc4ccccc4c3)cc2c(=O)o1
Brc1cccc(COc2ccc3[nH]c(=O)oc(=O)c3c2)c1
COc1cccc(COc2ccc3[nH]c(=O)oc(=O)c3c2)c1
CC(C)c1ccc(COc2ccc3[nH]c(=O)oc(=O)c3c2)cc1
Ic1cccc(COc2ccc3[nH]c(=O)oc(=O)c3c2)c1
FC(F)(F)c1cccc(COc2ccc3[nH]c(=O)oc(=O)c3c2)c1
COc1ccc2c(c1)occ(N1CCN(CC1)c1ccccc1)c2=O
COc1ccc2c(c1)oc(cc2=O)-n1cncn1
Fc1ccc(Nc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
COc1ccc2oc(cc(=O)c2c1)-n1ccc2ccccc12
COc1ccc2ccn(-c3cc(=O)c4ccccc4o3)c2c1
COc1ccc2c(c1)oc(cc2=O)-n1ccc2ccccc12
COc1ccc2[nH]cc(CCNC(=O)CN(CCCCC3CCN(Cc4ccccc4)CC3)C(=O)c3cc(=O)c4ccccc4o3)c2c1
Clc1ccc(COC(=O)c2coc3ccccc3c2=O)cc1
Cc1ccc(NC(=O)c2c(OCc3ccccc3)ccc3c2oc(C)c(C)c3=O)cc1
COc1ccc(NC(=O)c2c(OCc3ccccc3)ccc3c2oc(C)c(C)c3=O)cc1
COCc1cccc(NC(=O)c2cc3ccccc3n2C)c1COc1ccc(OC2CCNCC2)cc1
CN(CNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
CC(NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)Nc1cc(Cl)ccc1O
Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)NCCc1ccc(cc1)[N+]([O-])=O
[O-][N+](=O)c1ccc(CCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1
Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)NCCc1ccc(O)cc1
Cc1cc(F)ncc1C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1NCC1CC1 |r|
Nc1cccc(c1)-c1ccc(o1)C1=NCCN1 |t:14|
O=C(\C=C\c1csc2ccccc12)c1ccco1
O=C(\C=C\C=C\c1ccccc1)c1ccco1
Brc1ccc(\C=C\C(=O)c2c[nH]c3ccccc23)cc1
Clc1ccc(\C=C\C(=O)c2ccco2)c(Cl)c1
COC(=O)c1ccc(\C=C\C(=O)c2ccco2)cc1
Oc1ccc(\C=C\C(=O)c2ccco2)c(O)c1O
Fc1cccc(\C=C\C(=O)c2ccc(cc2)-n2ccnc2)c1
Fc1ccc(\C=C\C(=O)c2ccc(cc2)-n2ccnc2)cc1
FC(F)(F)c1ccc(\C=C\C(=O)c2ccc(cc2)-n2ccnc2)cc1
Fc1ccccc1\C=C\C(=O)c1ccc(cc1)-n1ccnc1
Fc1cccc(\C=C\C(=O)c2ccc(cc2)N2CCOCC2)c1
Cc1ccc(\C=C\C(=O)c2ccc(cc2)-n2ccnc2)cc1
CCc1ccc(\C=C\C(=O)c2ccc(cc2)-n2ccnc2)cc1
Brc1ccc(\C=C\C(=O)c2ccc(cc2)-n2ccnc2)cc1
[O-][N+](=O)c1ccc(\C=C\C(=O)c2ccccc2)cc1
CC\C(C)=N\Oc1ccc(\C=C\C(=O)c2ccc(F)cc2)cc1
CC\C(C)=N\Oc1ccc(cc1)C(=O)\C=C\c1ccccc1
CCOc1ccc(cc1)C(=O)\C=C\c1ccccc1
CCOc1ccc(cc1)C(=O)\C=C\c1ccc(F)cc1
CCOc1ccc(cc1)C(=O)\C=C\c1ccc(CC)cc1
CCOc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)C(F)(F)F
CCOc1ccc(cc1)C(=O)\C=C\c1ccc(OC)cc1
CCOc1ccc(cc1)C(=O)\C=C\c1ccc(C)cc1
CCOc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)N(C)C
CCOc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)[N+]([O-])=O
CCOc1ccc(cc1)C(=O)\C=C\c1ccc(Cl)cc1
CCOc1ccc(cc1)C(=O)\C=C\c1ccc(Br)cc1
CCOc1ccc(cc1)C(=O)\C=C\c1ccc(O)cc1
COc1cccc(c1)C(=O)\C=C\c1ccc(O\N=C(/C)c2cccc3ccccc23)cc1
C\C(=N/Oc1ccc(\C=C\C(=O)c2cccc3ccccc23)cc1)c1cccs1
COc1ccc(cc1)C(=O)\C=C\c1ccc(O\N=C(/C)c2ccccc2)cc1
COc1ccc(cc1)C(\C)=N\Oc1ccc(\C=C\C(=O)c2ccc(OC)cc2)cc1
[#6]-[#8]-c1ccc(cc1)-[#6](=O)\[#6]=[#6]\c1ccc(-[#8]\[#7]=[#6](/c2ccccc2)-c2ccccc2)cc1
COc1ccc(cc1)C(=O)\C=C\c1ccc(O\N=C2/CCc3ccccc23)cc1
Fc1ccc(cc1)-[#6](=O)\[#6]=[#6]\c1ccc(-[#8]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
Fc1ccc(cc1)-[#6](=O)\[#6]=[#6]\c1ccc(-[#8]\[#7]=[#6](/c2ccccc2)-c2ccccc2)cc1
Cc1ccc(\C=C\C(=O)c2ccc(O\N=C3/CCc4ccccc34)cc2)cc1
COc1cccc(\C=C\C(=O)c2ccc(O\N=C(/C)c3cccs3)cc2)c1
[#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8]\[#7]=[#6]-3/[#6]-[#6]-[#6]-[#6]-[#6]-3)cc2)cc1
COc1ccc(\C=C\C(=N\Oc2ccc(\C=C\C(=O)c3ccc(F)cc3)cc2)\c2ccc(OC)cc2)cc1
O=C1\C(Oc2ccccc12)=C\c1cc2ccccc2[nH]1
COc1ccc2C(=O)\C(Oc2c1)=C\c1cc2ccccc2[nH]1
Fc1ccc(\C=C\C(=O)c2ccc3OCOc3c2)cc1
Fc1ccc(\C=C\C(=O)c2ccc3OCCOc3c2)cc1
Cc1ccc2n(ccc2c1)-c1cc(=O)c2ccccc2o1
COc1ccc2c(c1)oc(cc2=O)-n1cnc2ccccc12
O=C1CC(Oc2ccccc12)n1ccc2ccccc12
Clc1cccc(c1)C(=O)\C=C\c1cccc2OCOc12
Brc1cccc(c1)C(=O)\C=C\c1cccc2OCOc12
Brc1ccc(cc1)C(=O)\C=C\c1cccc2OCOc12
Clc1ccc(cc1)C(=O)\C=C\c1cccc2OCOc12
Cc1ccc(\C=C\C(=O)c2ccc3OCCOc3c2)cc1
COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCC2CCCC2)cc1
COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN(C)C)cc1
COc1ccc2C(=O)\C(Oc2c1)=C\c1ccncc1
CCN(CC)c1ccc(\C=C2/Oc3cc(OC)ccc3C2=O)cc1
COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCCN(C)C)cc1
COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)N(C)C
COc1ccc(\C=C2/Oc3cc(OC)ccc3C2=O)cc1
COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN2CCCCC2)cc1
Clc1ccc(\C=C\C(=O)c2ccccc2)cc1
Clc1ccc(\C=C2/CCc3ccccc3C2=O)cc1
Clc1ccc(\C=C2/CSc3ccccc3C2=O)cc1
Oc1ccc2C(=O)\C(CCc2c1)=C\c1ccccc1
Oc1ccc2CC\C(=C/c3ccccc3)C(=O)c2c1
Oc1cccc2C(=O)\C(CCc12)=C\c1ccccc1
COc1ccc2CC\C(=C/c3ccccc3)C(=O)c2c1
Nc1ccc2C(=O)\C(CCc2c1)=C\c1ccccc1
O=C1\C(CCc2ccccc12)=C\c1ccccc1
Clc1ccc(NC(=O)CCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccccc3)nn2)cc1
Clc1ccc(cc1)-c1cc(=O)c2cc(Cn3nncc3CNC(=O)c3ccccc3)ccc2o1
Clc1ccc(NC(=O)CCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
CCN1CCN(Cc2ccc(\C=C\C(=O)c3ccc(cc3)-c3ccc(cc3F)C(C)C(=O)OC)cc2O)CC1
COC(=O)C(C)c1ccc(c(F)c1)-c1ccc(cc1)C(=O)\C=C\c1ccc(CN2CCCCC2)c(O)c1
COC(=O)C(C)c1ccc(c(F)c1)-c1ccc(cc1)C(=O)\C=C\c1ccc(CN2CCOCC2)c(O)c1
COC(=O)C(C)c1ccc(c(F)c1)-c1ccc(cc1)C(=O)\C=C\c1ccc(CN(C)C)c(O)c1
COC(=O)C(C)c1ccc(c(F)c1)-c1ccc(cc1)C(=O)\C=C\c1ccc(CN2CCN(C)CC2)c(O)c1
CCN(CC)Cc1ccc(\C=C\C(=O)c2ccc(cc2)-c2ccc(cc2F)C(C)C(=O)OC)cc1O
COC(=O)C(C)c1ccc(c(F)c1)-c1ccc(cc1)C(=O)\C=C\c1ccc(CN2CCCC2)c(O)c1
COc1cc(O)c(C(=O)\C=C\c2ccccc2O)c(OC)c1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2)c1-[#8]
[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])c(-[#8])c2)c(-[#8])cc1-[#8]
COc1cc(O)ccc1C(=O)\C=C\c1ccc(O)cc1
COc1cc(O)ccc1C(=O)\C=C\c1ccc(O)c(O)c1
COc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1
COc1ccc2oc(=O)c(cc2c1)-c1ccc(cc1)C(F)(F)F
Oc1ccc(cc1O)-c1cc2ccc(O)c(O)c2oc1=O
CC1CCCC(C)N1C(=S)SCCCOc1ccc2c(C)c(Cl)c(=O)oc2c1
CC1CCCCN1S(=S)CCCCOc1ccc2c(C)c(Cl)c(=O)oc2c1
CN1CCN(CC1)c1ccc(\C=N\Nc2ccccc2)cc1
O=c1cc(OCCN2CCOCC2)c2ccccc2o1
CN(C)c1ccc(\C=C\C(=O)c2cc(Cl)sc2Cl)cc1
[O-][N+](=O)c1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1
CCCCOc1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(N)=S |t:12|
Cc1c(\N=C\c2ccc(O)cc2)c(=O)n(-c2ccccc2)n1C
Cc1c(\N=C\c2cccc(c2)[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C
Cn1cc(\N=C\c2ccc(cc2)[N+]([O-])=O)c(=O)n1-c1ccccc1
CCNC(=S)Nc1cc(ncn1)-n1cnc2cc(CNCC#C)ccc12
O=C1Oc2ccccc2C(=O)\C1=C\NCc1ccccc1
Cn1ccc2cc(ccc12)C(=S)Nc1ccc(F)cc1
Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCC1CCN(Cc2ccccc2F)CC1
CC1CCCCN1c1ccc(\C=N\Nc2ccccc2)cc1
CCOc1ccc(c(N\N=C\c2ccc(O)cc2)n1)[N+]([O-])=O
CCOc1ccc(c(NN=Cc2ccco2)n1)[N+]([O-])=O
Clc1ccc2NC(=O)\C(=N\NC(=O)c3ccc4OCOc4c3)c2c1
Cc1ccc(cc1)C1=NOC(C1)c1ccc(Cl)c(Cl)c1 |t:8|
Cc1ccc(cc1)C1=NO[C@H](C1)c1ccc(Cl)c(Cl)c1 |r,t:8|
Cc1ccc(cc1)C1=NO[C@@H](C1)c1ccc(Cl)c(Cl)c1 |r,t:8|
C\C(=N/NC(=O)C1CC(=NO1)c1ccccc1)c1ccc(C)cc1 |c:8|
COc1ccc(cc1OC)C(\C)=N\NC(=O)C1CC(=NO1)c1ccccc1 |c:19|
[O-][N+](=O)c1ccc(CN(C(=O)CSC(=S)N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)c2ccc(F)cc2)cc1
Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1 |w:12.11,5.4|
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)ccc1O
COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
Oc1ccc2-c3ccc(O)c4C(=O)CCC(O)(C5C6OC6C(=O)c1c25)c34
COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)cc2o1
Cc1c(C(=O)CC(C#N)C#N)c(=O)n(-c2ccccc2)n1C
Cc1c(-c2cc(C#N)c(N)o2)c(=O)n(-c2ccccc2)n1C
CN(C)CCCOc1ccc(\C=N\c2c(C)n(C)n(-c3ccccc3)c2=O)cc1
CCCCn1c2cc(OCc3cn(Cc4ccccc4Cl)nn3)ccc2c2ccnc(C)c12
COC(=O)C1=CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1C1=CCOC1=O |r,t:4,25|
[H][C@@]12C[C@@H](\C(=C\C)C=O)C(=CN1CCc1c2[nH]c2ccccc12)C(=O)OC |r,c:9|
CCc1c(O)c(=O)cc(C)n1CCCn1cc(COc2ccc3ccc(=O)oc3c2)nn1
O=C1\C(Oc2ccccc12)=C\c1c2ccccc2cc2ccccc12
O\C(=C1\Sc2ccccc2C1=O)c1cccc(Br)c1
COc1ccc2C(=O)\C(Oc2c1)=C\n1ccc2ccccc12
COc1cc2C\C(=C/c3ccc(cc3)N(C)C)C(=O)c2cc1OC
COc1cc2C\C(=C/c3ccc(cc3)[N+]([O-])=O)C(=O)c2cc1OC
CCSc1nc(-c2ccc(C)cc2)n2nc(C)cc2n1
Cc1cc(=O)c(O)c(CO)n1CCn1cc(COc2ccc3ccc(=O)oc3c2)nn1
Cc1cc(=O)c(O)c(CO)n1CCCn1cc(COc2cc3ccccc3oc2=O)nn1
COc1ccc(cc1OC)C(\CN)=C/F
CN(CC#C)Cc1ccc(cc1)C(=O)NC1CC(C)(C)N(O)C(C)(C)C1
Oc1ccc(\C=C\c2cc(O)cc3OC([C@@H](c23)c2cc(O)cc(O)c2)c2ccc(O)cc2)cc1 |r|
Oc1ccc(C(=O)\C=C\C=C\c2ccc(Cl)cc2)c(O)c1
CC(N)CSc1ccccc1
CC(N)CSc1ccccc1Br
CC(N)C[Se]c1ccc(C)cc1
CC(N)C[Se]c1ccccc1C
CC(N)C[Se]c1c(C)cccc1C
COc1ccc([Se]CC(C)N)cc1
CC(N)C[Se]c1ccc(F)cc1
CC(N)C[Se]c1ccc(cc1)N(C)C
COc1ccc([Te]CC(C)N)cc1
c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
COc1cc(O)c2c(c1)oc1c(O)cccc1c2=O
COc1ccc(\C=C2/COc3cc(OCCCCCN4CCCCC4)ccc3C2=O)cc1
COc1ccc(\C=C2/COc3cc(OCCN4CCCCC4)ccc3C2=O)cc1
FC(F)(F)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12
CNC(=S)N1N=C(CC1c1ccc(F)cc1)c1ccccc1 |c:5|
CNC(=S)N1N=C(CC1c1ccc(F)cc1)c1ccc(Cl)cc1 |c:5|
CNC(=S)N1N=C(CC1c1ccc(F)cc1)c1ccc(C)cc1 |c:5|
CNC(=S)N1N=C(CC1c1ccc(F)cc1)c1ccc(OC)cc1 |c:5|
CCNC(=S)N1N=C(CC1c1ccc(F)cc1)c1ccccc1 |c:6|
CCNC(=S)N1N=C(CC1c1ccc(F)cc1)c1ccc(Cl)cc1 |c:6|
CCNC(=S)N1N=C(CC1c1ccc(F)cc1)c1ccc(C)cc1 |c:6|
CCNC(=S)N1N=C(CC1c1ccc(F)cc1)c1ccc(OC)cc1 |c:6|
Fc1ccc(cc1)C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1 |c:10|
COc1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)C(=S)Nc1ccccc1 |t:9|
Fc1ccc(cc1)C1CC(=NN1C(=S)Nc1ccccc1)c1ccc(Cl)cc1 |c:10|
Fc1ccc(cc1)C1CC(=NN1C(=S)NCC=C)c1ccccc1 |c:10|
Fc1ccc(cc1)C1CC(=NN1C(=S)NCC=C)c1ccc(Cl)cc1 |c:10|
COc1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)C(=S)NCC=C |t:9|
Cc1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)C(=S)Nc1ccccc1 |t:8|
Cc1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)C(=S)NCC=C |t:8|
N[C@@H]1C[C@H]1c1ccc(Br)cc1 |r|
N[C@H]1C[C@H]1c1ccc(Br)cc1 |r|
CC(=O)Nc1c(O)ccc2c(C)cc(=O)oc12
CCC(=O)Nc1c(O)ccc2c(C)cc(=O)oc12
CC(C)C(=O)Nc1c(O)ccc2c(C)cc(=O)oc12
Cc1cc(=O)oc2c(NC(=O)CCl)c(O)ccc12
Cc1cc(=O)oc2c(NC(=O)C=C)c(O)ccc12
Cc1cc(=O)oc2c(NC(=O)CC(C)(C)C)c(O)ccc12
Cc1cc(=O)oc2c(NC(=O)C3CCCCC3)c(O)ccc12
Cc1cc(=O)oc2c(NC(=O)c3ccccc3)c(O)ccc12
Cc1ccc(cc1)C(=O)Nc1c(O)ccc2c(C)cc(=O)oc12
Cc1cc(=O)oc2c(NC(=O)c3ccc(cc3)[N+]([O-])=O)c(O)ccc12
Cc1cc(=O)oc2c(NC(=O)c3ccc(Cl)cc3)c(O)ccc12
COc1ccc(cc1)C(=O)Nc1c(O)ccc2c(C)cc(=O)oc12
Cc1cc(=O)oc2c(NC(=O)c3ccc(Cl)c(Cl)c3)c(O)ccc12
COc1ccc(cc1OC)C(=O)Nc1c(O)ccc2c(C)cc(=O)oc12
COc1cc(cc(OC)c1OC)C(=O)Nc1c(O)ccc2c(C)cc(=O)oc12
Cc1cc(=O)oc2c(NC(=O)c3ccco3)c(O)ccc12
Cc1cc(=O)oc2c(NC(=O)c3cccnc3)c(O)ccc12
COc1cc(cc(OC)c1OC)-c1ccc(cc1)C(=O)Nc1ccc2[nH]ncc2c1
Fc1cc(F)cc(c1)-c1ccc(cc1)C(=O)Nc1ccc2[nH]ncc2c1
COc1cc(cc(OC)c1OC)-c1cccc(c1)C(=O)Nc1ccc2[nH]ncc2c1
O=C(Nc1ccc2[nH]ncc2c1)c1cccc(c1)-c1ccc(cc1)C#N
COc1cc(COc2ccc(cc2)C(=O)Nc2ccc3[nH]ncc3c2)cc(OC)c1OC
COc1cc(cc(OC)c1OC)-c1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1
COc1cc(cc(OC)c1OC)-c1cccc(NC(=O)c2ccc3[nH]ncc3c2)c1
COc1cc(cc(OC)c1OC)-c1ccc(COc2ccc3[nH]ncc3c2)cc1
COc1cc(cc(OC)c1OC)-c1cccc(COc2ccc3[nH]ncc3c2)c1
COc1cc(cc(OC)c1OC)-c1ccc(cc1)-c1noc(n1)-c1ccc2[nH]ncc2c1
COc1cc(COc2ccc(cc2)-c2noc(n2)-c2ccc3[nH]ncc3c2)cc(OC)c1OC
COc1cc(COc2cccc(c2)-c2noc(n2)-c2ccc3[nH]ncc3c2)cc(OC)c1OC
COc1cc(cc(OC)c1OC)-c1ccc(cc1)-c1nc(no1)-c1ccc2[nH]ncc2c1
COc1cc(cc(OC)c1OC)-c1cccc(c1)-c1nc(no1)-c1ccc2[nH]ncc2c1
COc1cc(COc2ccc(cc2)-c2nc(no2)-c2ccc3[nH]ncc3c2)cc(OC)c1OC
COc1cc(cc(OC)c1OC)-n1ncc2cc(NC(=O)c3ccccc3)ccc12
Cn1c(\C=C\c2ccc(Cl)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Fc1ccc(cc1)-c1ccc(NC(=O)c2ccccn2)c(c1)C#N
Cc1cc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2[nH]1
COc1ccc(cc1)-c1cc(ccn1)C(=O)NCc1ccc(cc1)C(=O)NO
COc1ccc(cc1)-c1cc(ccn1)-c1ccn(Cc2ccc(cc2)C(=O)NO)n1
CN(CCCOc1cc(O)c(Cl)cc1Cl)CC#C
CN(CCCOc1cc(N)c(Cl)cc1Cl)CC#C
CN(CCCOc1cc(C)c(Cl)cc1Cl)CC#C
CN(CCCOc1cc(C#N)c(Cl)cc1Cl)CC#C
CN(CCCOc1cc(NC(C)=O)c(Cl)cc1Cl)CC#C
CN(CCCOc1cc(NC=O)c(Cl)cc1Cl)CC#C
CN(CCCOc1cc(NC(=O)c2cc[nH]n2)c(Cl)cc1Cl)CC#C
CN(CCCOc1cc(NS(C)(=O)=O)c(Cl)cc1Cl)CC#C
Nc1cc(OCCCN(CCO)CC#C)c(Cl)cc1Cl
OCCN(CCCOc1ccc(Cl)cc1Cl)CC#C
CN(CC#C)C[C@@H](O)COc1cc(N)c(Cl)cc1Cl |r|
CN(CC#C)C[C@H](O)COc1cc(N)c(Cl)cc1Cl |r|
Oc1cc(OCc2ccccc2)ccc1CNc1ccccc1
Oc1cc(OCc2ccccc2F)ccc1CNc1ccccc1
Oc1cc(OCc2ccccc2Cl)ccc1CNc1ccccc1
Oc1cc(OCc2cccc(F)c2)ccc1CNc1ccccc1
Oc1cc(OCc2cccc(Cl)c2)ccc1CNc1ccccc1
Oc1cc(OCc2cccc(c2)C(F)(F)F)ccc1CNc1ccccc1
COc1cccc(COc2ccc(CNc3ccccc3)c(O)c2)c1
Oc1cc(OCc2ccc(F)cc2)ccc1CNc1ccccc1
Oc1cc(OCc2ccc(Cl)cc2)ccc1CNc1ccccc1
Cc1ccc(COc2ccc(CNc3ccccc3)c(O)c2)cc1
CC(C)(C)c1ccc(COc2ccc(CNc3ccccc3)c(O)c2)cc1
Oc1cc(OCc2ccc(cc2)[N+]([O-])=O)ccc1CNc1ccccc1
Oc1cc(OCc2ccc(F)c(F)c2)ccc1CNc1ccccc1
Oc1cc(OCc2ccc(Cl)c(Cl)c2)ccc1CNc1ccccc1
Oc1cc(OCc2ccc(F)c(Cl)c2)ccc1CNc1ccccc1
Oc1cc(OCc2ccc(F)cc2)ccc1CNc1ccccc1F
Oc1cccc(NCc2ccc(OCc3ccc(F)cc3)cc2O)c1
Fc1ccc(cc1F)[C@@H]1C[C@H]1NCc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(Cl)c(Cl)c1 |r|
COc1cccc(\C=C\C(=O)c2ccccc2O)c1
Oc1ccc(\C=C\C(=O)c2ccccc2O)cc1
COc1ccc(\C=C\C(=O)c2ccccc2O)cc1
COc1ccc2cc(\C=C\C(=O)c3ccccc3O)ccc2c1
Oc1ccccc1C(=O)\C=C\c1ccc(F)cc1
COc1ccccc1\C=C\C(=O)c1ccccc1O
Oc1ccccc1C(=O)\C=C\c1ccccc1F
Oc1ccccc1C(=O)\C=C\c1c(F)cccc1Br
Oc1ccccc1C(=O)\C=C\c1c(Br)cccc1Br
COc1ccc(Br)cc1\C=C\C(=O)c1ccccc1O
Oc1ccccc1C(=O)\C=C\c1ccc(Br)cc1OC(F)(F)F
Oc1ccccc1C(=O)\C=C\c1ccc2ccccc2c1Br
Oc1ccccc1C(=O)\C=C\c1cc2ccccc2c2ccccc12
CN(C)C(=O)Oc1ccccc1C(=O)\C=C\c1ccc(F)cc1
CCN(C)C(=O)Oc1ccccc1C(=O)\C=C\c1ccc(F)cc1
CCN(CC)C(=O)Oc1ccccc1C(=O)\C=C\c1ccc(F)cc1
C[C@H](NCc1ccc2oc(cc2c1)-c1ccccc1F)C(N)=O |r|
C[C@H](NCc1ccc2oc(cc2c1)-c1cccc(F)c1)C(N)=O |r|
C[C@H](NCc1ccc2oc(cc2c1)-c1ccc(F)cc1)C(N)=O |r|
COc1ccccc1-c1cc2cc(CN[C@@H](C)C(N)=O)ccc2o1 |r|
COc1cccc(c1)-c1cc2cc(CN[C@@H](C)C(N)=O)ccc2o1 |r|
COc1ccc(cc1)-c1cc2cc(CN[C@@H](C)C(N)=O)ccc2o1 |r|
COc1ccccc1-c1cc2cc(CN3CC[C@H]3C(N)=O)ccc2o1 |r|
COc1cccc(c1)-c1cc2cc(CN3CC[C@H]3C(N)=O)ccc2o1 |r|
COc1ccc(cc1)-c1cc2cc(CN3CC[C@H]3C(N)=O)ccc2o1 |r|
NC(=O)[C@@H]1CCN1Cc1ccc2oc(cc2c1)-c1ccccc1F |r|
NC(=O)[C@@H]1CCN1Cc1ccc2oc(cc2c1)-c1cccc(F)c1 |r|
NC(=O)[C@@H]1CCN1Cc1ccc2oc(cc2c1)-c1ccc(F)cc1 |r|
NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc2oc(cc2c1)-c1cccc(F)c1 |r|
NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc2oc(cc2c1)-c1ccc(F)cc1 |r|
NC(=O)[C@@H]1CC(F)(F)CN1Cc1ccc2oc(cc2c1)-c1ccc(F)cc1 |r|
Cc1ccc(cc1)-c1cc2n(cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(cc1)C#N)S(=O)(=O)c1ccc(F)cc1
Oc1ccc2oc(cc(=O)c2c1)C(=O)Nc1ccccc1
Cc1ccc(NC(=O)c2cc(=O)c3cc(O)ccc3o2)cc1
Oc1ccc(NC(=O)c2cc(=O)c3cc(O)ccc3o2)cc1
Oc1ccc2oc(cc(=O)c2c1)C(=O)Nc1ccc(Cl)cc1
Oc1ccc2oc(cc(=O)c2c1)C(=O)Nc1cccc(Cl)c1
Cc1ccc(NC(=O)c2cc(=O)c3cc(O)ccc3o2)cc1C
COc1ccc2occ(C(=O)Nc3ccc(C)c(C)c3)c(=O)c2c1
Oc1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1
Cc1ccc(NC(=O)c2coc3ccc(O)cc3c2=O)cc1
Oc1ccc(NC(=O)c2coc3ccc(O)cc3c2=O)cc1
Oc1ccc2occ(C(=O)Nc3ccc(Cl)cc3)c(=O)c2c1
Oc1ccc2occ(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1
Cc1ccc(NC(=O)c2coc3ccc(O)cc3c2=O)cc1C
Oc1cccc2occ(C(=O)Nc3ccccc3)c(=O)c12
Cc1ccc(NC(=O)c2coc3cccc(O)c3c2=O)cc1
Oc1ccc(NC(=O)c2coc3cccc(O)c3c2=O)cc1
Oc1cccc2occ(C(=O)Nc3ccc(Cl)cc3)c(=O)c12
Oc1cccc2occ(C(=O)Nc3cccc(Cl)c3)c(=O)c12
Cc1ccc(NC(=O)c2coc3cccc(O)c3c2=O)cc1C
N\N=C\c1ccc(Cl)cc1
COc1ccc(cc1)-c1cc2cc(Cl)ccc2oc1=O
COc1cccc(c1)-c1cc2cc(Cl)ccc2oc1=O
Fc1ccccc1COc1ccc2CCC(=O)Oc2c1
ClCCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Cc1ccc2oc(=O)c(cc2c1)-c1ccc(cc1)[N+]([O-])=O
Cc1ccc(\C=N\NC(=O)c2cc(on2)-c2ccccc2)cc1
Brc1ccc2cc(-c3ccc(Br)nn3)c(=O)oc2c1
Cc1ccc2oc(=O)c(cc2c1)-c1cccc(N)c1
COc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)N(C)C
Clc1ccc(\C=C\C(=O)c2ccc3OCOc3c2)cc1
CCOC(=O)C(C(=O)NN=Cc1ccc(cc1)[N+]([O-])=O)[n+]1ccc2ccccc2c1
Cc1c(\N=C\c2ccc(cc2)[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C
O\C(\C=C\c1ccccc1)=C/C(=O)c1ccccc1O
O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1
FC(F)(F)c1ccc(\C=C\C(=O)c2ccc[nH]2)cc1
Fc1ccc(\C=C\C(=O)c2ccc(cc2)N2CCNCC2)cc1
FC(F)(F)c1ccc(\C=C\C(=O)c2ccc(cc2)N2CCNCC2)cc1
CSc1ccc(cc1)C(=O)\C=C\c1cccc2OCOc12
CCOc1ccccc1N1CCN(CC1)c1ccc(cc1)-c1nc2cc(C)ccc2[nH]1
[O-][N+](=O)c1cccc(CN(C(=O)CSc2nc3cc(Cl)ccc3s2)c2ccc(F)cc2)c1
CCc1ccc(\C=C\C(=O)c2ccc3OCOc3c2)cc1
C\C(=N/NC(=O)Nc1ncc(s1)[N+]([O-])=O)c1ccc(Br)cc1
Cc1ccc2oc(cc2c1)-c1ccccc1Br
Cc1cccc(NC(=S)N2N=C(CC2c2cccs2)c2ccc(O)cc2)c1 |c:10|
C\N=C\c1cn(nc1-c1ccc(F)cc1)-c1ccccc1
COc1cccc(c1)-c1cc2cc(ccc2o1)[N+]([O-])=O
CC1=NN(C(C1)c1cc(Br)cc(Br)c1O)C(=O)CN1CCNCC1 |t:1|
Cc1ncc(\C=C\c2ccc(O)cc2)c2COC(C)(C)Oc12
CN(CC#C)c1ccc(\C=C\c2cnc(C)c3OC(C)(C)OCc23)cc1
CN1CCN(CC1)c1ccc(\C=C\c2cnc(C)c3OC(C)(C)OCc23)cc1
COc1ccc(cc1)C(=O)c1sc2ccccc2c1O
Oc1c(sc2ccccc12)C(=O)c1cccc(Br)c1
Cc1ccc(cc1)C(=O)c1sc2ccccc2c1O
Oc1c(sc2ccccc12)C(=O)c1cccc(Cl)c1
O=C1Oc2ccccc2C(=O)\C1=C/NCc1ccccc1
COc1ccc2oc(\C=C\c3ccc(Cl)cc3)cc(=O)c2c1
Oc1ccc(cc1)C(=O)NNc1nc2ccccc2nc1Cc1ccccc1
Oc1ccc(\C=C\C=C\C(=O)N2CCCCC2)cc1O
Oc1ccc(\C=C\C=C(/C#N)C(=O)N2CCCCC2)cc1O
Oc1ccc(\C=C\C=C(/C#N)C(=O)Nc2ccccc2)cc1O
Oc1ccc(\C=C\C=C(/C#N)C(=O)NCc2ccccc2)cc1O
Oc1ccc(\C=C\C=C(/C#N)C(=O)NCCc2ccccc2)cc1O
Cc1cc(C)c(cc1C)C(=O)\C=C\c1nc(C)c(C)nc1C
CSc1ccc(C[C@H](C)N)cc1
CCSc1ccc(C[C@H](C)N)cc1
CCCCSc1ccc(C[C@H](C)N)cc1
CCCSc1ccc(C[C@H](C)N)cc1
COc1ncc(cn1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc2OC(F)(F)Oc2c1
c1conc1NC[C@H]2CN(C(=O)O2)c3cc(c(c(c3F)F)N4CCC(=O)C=C4)F
C[C@H](NCc1ccc(OCc2ccc(Cl)cc2)cc1)C(N)=O
NC(=O)CNCc1ccc(OCc2cccc(Cl)c2)cc1
NC(=O)CNCc1ccc(OCc2ccccc2)cc1
NC(=O)[C@H](CO)NCc1ccc(OCc2ccccc2)cc1
C[C@@H](NCc1ccc(OCc2cccc(Cl)c2)cc1)C(N)=O
C[C@@H](N1CCc2cc(OCc3cccc(F)c3)ccc2C1)C(N)=O
NC(=O)CNCc1ccc(OCc2ccc(Cl)cc2)cc1
NC(=O)[C@H](CO)NCc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1
NC(=O)[C@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1
NC(=O)[C@@H](NCc1ccc(OCc2ccccc2)cc1)c1ccccc1
NC(=O)[C@H](CO)NCc1ccc(OCc2cccc(Cl)c2)cc1
NC(=O)[C@@H](CO)NCc1ccc(OCc2cccc(Cl)c2)cc1
C[C@@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
NC(=O)[C@@H](NCc1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1
NC(=O)CNCc1ccc(OCc2cccc(F)c2)cc1
C[C@H](NCc1ccc(OCc2cccc(Cl)c2)cc1)C(N)=O
NC(=O)[C@H](CO)NCc1ccc(OCc2ccc(Cl)cc2)cc1
NC(=O)CNCc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1
C[C@H](N1CCc2cc(OCc3cccc(F)c3)ccc2C1)C(N)=O
NC(=O)[C@@H](NCc1ccc(OCc2cccc(F)c2)cc1)c1ccccc1
C[C@H](NCc1ccc(OCc2ccccc2)cc1)C(N)=O
COc1ccc2sc(SC(=O)N/N=Cc3csc([N+](=O)[O-])c3)nc2c1
O=C(N/N=C(c1ccccc1)c1ccc(Cl)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1
O=C(NCc1ccccc1F)c1nc2ccc(O)cc2s1
O=C(NCc1cccc(F)c1)c1nc2ccc(O)cc2s1
O=C(NCc1ccc(F)cc1)c1nc2ccc(O)cc2s1
O=C(NCc1ccccc1Cl)c1nc2ccc(O)cc2s1
O=C(NCc1cccc(Cl)c1)c1nc2ccc(O)cc2s1
O=C(NCc1ccc(Cl)cc1)c1nc2ccc(O)cc2s1
O=C(NCc1ccc([N+](=O)[O-])cc1)c1nc2ccc(O)cc2s1
O=C(NCc1cccc(F)c1F)c1nc2ccc(O)cc2s1
O=C(NCc1ccc(F)c(F)c1)c1nc2ccc(O)cc2s1
O=C(NCc1ccc(F)cc1F)c1nc2ccc(O)cc2s1
O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccc(O)cc2s1
COc1ccccc1CNC(=O)c1nc2ccc(O)cc2s1
COc1cccc(CNC(=O)c2nc3ccc(O)cc3s2)c1
Cc1ccccc1CNC(=O)c1nc2ccc(O)cc2s1
Cc1cccc(CNC(=O)c2nc3ccc(O)cc3s2)c1
Cc1ccc(CNC(=O)c2nc3ccc(O)cc3s2)cc1
COc1cccc(CNC(=O)c2nc3ccc(O)cc3s2)c1OC
COc1ccc(CNC(=O)c2nc3ccc(O)cc3s2)cc1OC
COc1ccc(CNC(=O)c2nc3ccc(O)cc3s2)c(OC)c1
COc1cc(CNC(=O)c2nc3ccc(O)cc3s2)cc(OC)c1
Cc1cc(C)cc(CNC(=O)c2nc3ccc(O)cc3s2)c1
COc1ccc(CNC(=O)c2nc3ccc(O)cc3s2)cc1F
O=C(NCc1cccs1)c1nc2ccc(O)cc2s1
O=C(NCC#Cc1ccccc1)c1nc2ccc(O)cc2s1
O=C(NCCc1ccccc1)c1nc2ccc(O)cc2s1
O=C(NCc1ccc(-c2ccccc2)cc1)c1nc2ccc(O)cc2s1
O=C(c1nc2ccc(O)cc2s1)N1CCc2ccccc2C1
O=C(c1nc2ccc(O)cc2s1)N1Cc2ccc(Cl)cc2C1
O=C(NCCc1cc2ccccc2[nH]1)c1nc2ccc(O)cc2s1
O=C(NC1CCCC1)c1nc2ccc(O)cc2s1
O=C(NC1CCCCC1)c1nc2ccc(O)cc2s1
O=C(NCC1CCCCC1)c1nc2ccc(O)cc2s1
CCCCCCNC(=O)c1nc2ccc(O)cc2s1
COc1ccc2nc(C(=O)NC3CCCCC3)sc2c1
O=C(NC1CCCCC1)c1nc2ccccc2s1
O=C(Nc1nc2ccc(O)cc2s1)C1CCCCC1
C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
O=C(NCc1ccccc1)c1nc2ccc(O)cc2s1
Cc1nc(NC(=O)c2sc3cc(F)ccc3c2Cl)c(C)c(C)c1O
Fc1ccc(cc1F)[C@@H]1C[C@H]1NCc1cn(nn1)-c1ccccc1 |r|
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(-c4ccccc4)cc3)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(-c4ccncc4)cc3)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(N4CCCC4)cc3)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(N4CCOCC4)cc3)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(N4CCCCC4)cc3)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4c(c3)OCO4)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4[nH]ncc4c3)nn2)cc1F
C[C@H](Cc1ccccc1)N(C)CC#N
OCc1c(Br)c(O)c(O)c(Br)c1Br
Oc1c(O)c(Br)c(COCc2c(Br)c(O)c(O)c(Br)c2Br)c(Br)c1Br
NS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)c(F)c1
NS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)c(Cl)c1
NS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)c(Br)c1
Cc1c(Cl)c(=O)oc2cc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3F)ccc12
Cc1c(Cl)c(=O)oc2cc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3Cl)ccc12
NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)c(F)c1
NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)c(Cl)c1
COc1ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1
COc1ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3F)c(=O)oc2c1
NS(=O)(=O)c1ccc(COc2ccc3ccc(=O)oc3c2)cc1
CCOC(=O)c1cc2ccc(OCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O
Cc1c(Cl)c(=O)oc2cc(OCc3ccc(S(N)(=O)=O)cc3)ccc12
NS(=O)(=O)c1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
NS(=O)(=O)c1ccc(NC(=O)c2coc3ccccc3c2=O)c(F)c1
NS(=O)(=O)c1ccc(NC(=O)c2coc3ccccc3c2=O)c(Cl)c1
NS(=O)(=O)c1ccc(NC(=O)c2coc3ccccc3c2=O)c(Br)c1
C[N@](CCCOc1ccc(cc1Cl)Cl)CC#C
CC(=O)c1cc2ccc(OCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O
N#Cc1cc2ccc(OCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O
NC(=O)c1cc2ccc(OCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O
C/C(=N/O)c1cc2ccc(OCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O
Cc1cc2ccc(OCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O
NS(=O)(=O)c1ccc(COc2ccc3c(Cl)cc(=O)oc3c2)cc1
CN(C)c1cc(=O)oc2cc(OCc3ccc(S(N)(=O)=O)cc3)ccc12
NS(=O)(=O)c1ccc(COc2ccc3c(N4CCOCC4)cc(=O)oc3c2)cc1
Cc1cc(=O)oc2cc(OCc3ccc(S(N)(=O)=O)cc3)ccc12
NS(=O)(=O)c1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
CN(C)Cc1cc(=O)oc2cc(OCc3ccc(S(N)(=O)=O)cc3)ccc12
CCN(CC)Cc1cc(=O)oc2cc(OCc3ccc(S(N)(=O)=O)cc3)ccc12
NS(=O)(=O)c1ccc(COc2ccc3c(CN4CCOCC4)cc(=O)oc3c2)cc1
NC(=O)Cc1cc(=O)oc2cc(OCc3ccc(S(N)(=O)=O)cc3)ccc12
COC(=O)c1c(OCc2ccc(S(N)(=O)=O)cc2)ccc2c(C)cc(=O)oc12
NS(=O)(=O)c1ccc(COc2ccc3c(c2)oc(=O)c2ccccc23)cc1
NS(=O)(=O)c1ccc(COc2ccc3c(N4CCNCC4)cc(=O)oc3c2)cc1
NS(=O)(=O)c1ccc(COc2ccc3c(CN4CCNCC4)cc(=O)oc3c2)cc1
NS(=O)(=O)c1ccc(COc2ccc3c(=O)ccoc3c2)cc1
CCCNC(C)C(=O)Nc1c(C)csc1-c1nc(Cc2ccccc2)no1
CCCNC(C)C(=O)Nc1c(C)csc1-c1nc(-c2ccccc2)no1
CCCNC(C)C(=O)Nc1c(C)csc1-c1nc(-c2ccccc2N)no1
OC(CCN1CCCCC1)(C1CC2CC1C=C2)c1ccccc1 |c:17|
CC(=O)c1ccc(OCc2ccccc2)cc1O
O=c1c(-c2cc(-c3ccccc3)no2)csc2ccccc12
Cc1ccccc1-c1cc(-c2csc3ccccc3c2=O)on1
O=c1c(-c2cc(-c3ccccc3C(F)(F)F)no2)csc2ccccc12
Cc1cccc(-c2cc(-c3csc4ccccc4c3=O)on2)c1
O=c1c(-c2cc(-c3cccc(C(F)(F)F)c3)no2)csc2ccccc12
Cc1ccc(-c2cc(-c3csc4ccccc4c3=O)on2)cc1
O=c1c(-c2cc(-c3ccc(C(F)(F)F)cc3)no2)csc2ccccc12
COc1ccc(-c2cc(-c3csc4ccccc4c3=O)[nH]n2)cc1
O=C1C(c2cc(-c3ccccc3)no2)=CS(=O)(=O)c2ccccc21
Cc1ccccc1-c1cc(C2=CS(=O)(=O)c3ccccc3C2=O)on1
O=C1C(c2cc(-c3ccccc3C(F)(F)F)no2)=CS(=O)(=O)c2ccccc21
Cc1cccc(-c2cc(C3=CS(=O)(=O)c4ccccc4C3=O)on2)c1
O=C1C(c2cc(-c3cccc(C(F)(F)F)c3)no2)=CS(=O)(=O)c2ccccc21
O=C1C(c2cc(-c3cccc(F)c3)no2)=CS(=O)(=O)c2ccccc21
O=C1C(c2cc(-c3cccc(Cl)c3)no2)=CS(=O)(=O)c2ccccc21
COc1cccc(-c2cc(C3=CS(=O)(=O)c4ccccc4C3=O)on2)c1
Cc1ccc(-c2cc(C3=CS(=O)(=O)c4ccccc4C3=O)on2)cc1
O=C1C(c2cc(-c3ccc(C(F)(F)F)cc3)no2)=CS(=O)(=O)c2ccccc21
O=C1C(c2cc(-c3ccc(F)cc3)no2)=CS(=O)(=O)c2ccccc21
O=C1C(c2cc(-c3ccc(Cl)cc3)no2)=CS(=O)(=O)c2ccccc21
COc1ccc(-c2cc(C3=CS(=O)(=O)c4ccccc4C3=O)on2)cc1
Cc1ccc(NC(=O)C[C@H](CCC(O)=O)c2noc([C@@H]3C[C@H](CC(C)(C)C)C3)c2C2CC2)c(Cl)c1 |r,wU:19.18,21.21,wD:9.9,(16.24,-21,;15.33,-19.75,;13.8,-19.91,;12.9,-18.67,;13.53,-17.27,;12.62,-16.02,;11.09,-16.18,;10.19,-14.93,;10.46,-17.58,;8.93,-17.74,;8.3,-19.15,;9.21,-20.4,;8.58,-21.8,;7.05,-21.97,;9.48,-23.05,;8.03,-16.5,;8.51,-15.03,;7.26,-14.12,;6.02,-15.03,;4.54,-14.56,;3.84,-13.19,;2.47,-13.89,;1.01,-13.41,;.68,-11.91,;-.79,-11.43,;1.83,-10.88,;.28,-10.41,;3.17,-15.26,;6.49,-16.5,;5.58,-17.74,;4.17,-18.37,;5.41,-19.28,;15.05,-17.1,;15.67,-15.69,;15.96,-18.34,)|
Nc1nnc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)o1
O=C(Nc1ccccc1)c1ccc2OCCOc2c1
O=C(Nc1cccc(F)c1)c1ccc2c(c1)OCCO2
O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)OCCO2
O=C(Nc1cccc(Br)c1)c1ccc2c(c1)OCCO2
O=C(Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2
O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2
O=C(Nc1ccc(Br)cc1)c1ccc2c(c1)OCCO2
O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2
O=C(Nc1ccc(Cl)c(Br)c1)c1ccc2c(c1)OCCO2
O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)OCCO2
O=C(Nc1ccc(Br)c(F)c1)c1ccc2c(c1)OCCO2
O=C(Nc1ccc(Cl)c(F)c1)c1ccc2c(c1)OCCO2
O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCCO2
COc1cc(NC(=O)c2ccc3c(c2)OCCO3)ccc1Cl
O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2
O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc(F)c(Br)c1
CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccs1
CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccco1
CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccsc1
CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ncc[nH]1
CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1nccs1
CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cscn1
CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccnc1
CN(Cc1ccncc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cncnc1
CN(CCc1cccs1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
CN(CCc1ccsc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
CN(CCc1cccnc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
NC(=O)Cc1nc2cc(OCc3cccc(F)c3)ccc2[nH]1
NC(=O)Cc1nc2cc(OCc3ccc(F)cc3)ccc2[nH]1
NC(=O)Cc1nc2cc(OCc3cccc(Cl)c3)ccc2[nH]1
NC(=O)Cc1nc2cc(OCc3ccc(Cl)cc3)ccc2[nH]1
Cc1cccc(COc2ccc3[nH]c(CC(N)=O)nc3c2)c1
NC(=O)Cc1nc2cc(OCc3ccc(C(F)(F)F)cc3)ccc2[nH]1
O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc21
O=C1/C(=C/c2ccc(OCc3ccccc3F)cc2)Oc2cc(O)ccc21
O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)Oc2cc(O)ccc21
O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)Oc2cc(O)ccc21
O=C1/C(=C/c2ccc(OCc3ccccc3Br)cc2)Oc2cc(O)ccc21
O=C1/C(=C/c2ccc(OCc3cccc(Br)c3)cc2)Oc2cc(O)ccc21
O=C1/C(=C/c2cccc(OCc3ccccc3)c2)Oc2cc(O)ccc21
O=C1/C(=C/c2cccc(OCc3ccccc3F)c2)Oc2cc(O)ccc21
O=C1/C(=C/c2cccc(OCc3ccc(F)cc3)c2)Oc2cc(O)ccc21
O=C1/C(=C/c2cccc(OCc3cccc(Cl)c3)c2)Oc2cc(O)ccc21
O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)Oc2cc(O)ccc21
O=C1/C(=C/c2cccc(OCc3cccc(Br)c3)c2)Oc2cc(O)ccc21
O=C1/C(=C/c2cccc(OCc3ccc(Br)cc3)c2)Oc2cc(O)ccc21
COc1cccc(COc2cccc(/C=C3Oc4cc(O)ccc4C3=O)c2)c1
COc1ccc(/C=C2Oc3cc(O)ccc3C2=O)c(OC)c1OC
O=C(/C=C/c1ccccc1Cl)c1cc2ccccc2oc1=O
COc1cccc(COc2ccc(C(C)=O)c(OCc3cn(CCc4c[nH]c5ccccc45)nn3)c2)c1
c1ccc(cc1)C/[N+](=C/c2ccc3cccc(c3n2)O)/[O-]
CCN(CC)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3ccccc23)cc1
C#CCNc1ccccc1-c1cc(-c2ccc(OCCN3CCCCC3)cc2)nc(N)n1
C#CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)nc(-c2ccccc2)n1
C#CCOc1cccc(-c2cc(/C(C)=Cc3ccccc3)nc(N)n2)c1
C#CCOc1cccc(-c2cc(/C=C/c3ccccc3)ncn2)c1
C#CCOc1ccc(-c2cc(/C(C)=Cc3ccccc3)ncn2)cc1
C#CCOc1ccc(-c2cc(/C=Cc3ccccc3)ncn2)cc1
C#CCN1CCN(CCCOc2ccc3c(ccn3S(=O)(=O)c3ccc(C(=O)NNCCC)cc3)c2)CC1
O=C1OCc2ccc(N3N=C(c4ccccc4O)CC3=O)cc21
O=C1OCc2ccc(N3N=C(c4cc(F)ccc4O)CC3=O)cc21
O=C1OCc2ccc(N3N=C(c4cccc(F)c4O)CC3=O)cc21
CCCCC1OC(=O)c2cc(N3N=C(c4ccccc4O)CC3=O)ccc21
CCCCC1OC(=O)c2cc(N3N=C(c4cc(C)ccc4O)CC3=O)ccc21
CCCCC1OC(=O)c2cc(N3N=C(c4cc(OC)ccc4O)CC3=O)ccc21
CCCCC1OC(=O)c2cc(N3N=C(c4cc(Cl)ccc4O)CC3=O)ccc21
CCCCC1OC(=O)c2cc(N3N=C(c4cc(Br)ccc4O)CC3=O)ccc21
CCCCC1OC(=O)c2cc(N3N=C(c4cc(F)ccc4O)CC3=O)ccc21
CCCCC1OC(=O)c2cc(N3N=C(c4cc([N+](=O)[O-])ccc4O)CC3=O)ccc21
CCCCC1OC(=O)c2cc(N3N=C(c4ccc(Cl)cc4O)CC3=O)ccc21
CCCCC1OC(=O)c2cc(N3N=C(c4ccc(Br)cc4O)CC3=O)ccc21
CCCCC1OC(=O)c2cc(N3N=C(c4cccc(Br)c4O)CC3=O)ccc21
CCCCC1OC(=O)c2cc(N3N=C(c4cccc(F)c4O)CC3=O)ccc21
CCCCC1OC(=O)c2cc(N3N=C(c4cc(Cl)cc(Br)c4O)CC3=O)ccc21
CCCCC1OC(=O)c2cc(N3N=C(c4cc(Cl)cc(Cl)c4O)CC3=O)ccc21
CCCCC1OC(=O)c2cc(N3N=C(c4ccc(N(C)C)cc4O)CC3=O)ccc21
CCCCC1OC(=O)c2cc(N3N=C(c4cc(N(C)C)ccc4O)CC3=O)ccc21
CCCCCCC1OC(=O)c2cc(N3N=C(c4ccccc4O)CC3=O)ccc21
CCCCCCC1OC(=O)c2cc(N3N=C(c4cc(Cl)ccc4O)CC3=O)ccc21
CCCCCCC1OC(=O)c2cc(N3N=C(c4cc(F)ccc4O)CC3=O)ccc21
CCCCCCCC1OC(=O)c2cc(N3N=C(c4ccccc4O)CC3=O)ccc21
CCCCCCCC1OC(=O)c2cc(N3N=C(c4cc(OC)ccc4O)CC3=O)ccc21
CCCCCCCC1OC(=O)c2cc(N3N=C(c4cc(Cl)ccc4O)CC3=O)ccc21
CCCCC1OC(=O)c2cc(-n3nc(-c4ccccc4O)cc3C)ccc21
[2H]C1OC(=O)c2cc(N3N=C(C)CC3=O)ccc21
CC(=O)Nc1ccc2nc(NC(=O)Nc3ccc(O)c(Cl)c3)sc2c1
OC(=O)c1ccc2nc(NC(=O)Nc3ccc(O)c(Cl)c3)sc2c1
NC(=O)c1ccc2nc(NC(=O)Nc3ccc(O)c(Cl)c3)sc2c1
O=C(Nc1ccc2c(ccn2Cc2ccc(F)cc2)c1)c1cnccn1
O=C(Nc1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cnccn1
CCCOc1ccc(-c2cc(=O)c3c(F)cc(OC)cc3o2)cc1
COc1cc(F)c2c(=O)cc(-c3ccc(OC(C)C)cc3)oc2c1
COc1cc(F)c2c(=O)cc(-c3ccc(CC(C)C)cc3)oc2c1
C#CCOc1ccc(-c2cc(=O)c3c(F)cc(OC)cc3o2)cc1
C=CCOc1ccc(-c2cc(=O)c3c(F)cc(OC)cc3o2)cc1
COc1cc(F)c2c(=O)cc(-c3ccc(OCC(C)C)cc3)oc2c1
CCCOc1ccc(-c2cc(=O)c3c(OC)cc(F)cc3o2)cc1
COc1cc(F)cc2oc(-c3ccc(OC(C)C)cc3)cc(=O)c12
COc1cc(F)cc2oc(-c3ccc(CC(C)C)cc3)cc(=O)c12
C#CCOc1ccc(-c2cc(=O)c3c(OC)cc(F)cc3o2)cc1
C=CCOc1ccc(-c2cc(=O)c3c(OC)cc(F)cc3o2)cc1
COc1cc(F)cc2oc(-c3ccc(OCC(C)C)cc3)cc(=O)c12
CCCOc1ccc(-c2cc(=O)c3c(O)cc(F)cc3o2)cc1
CC(C)Oc1ccc(-c2cc(=O)c3c(O)cc(F)cc3o2)cc1
CC(C)Cc1ccc(-c2cc(=O)c3c(O)cc(F)cc3o2)cc1
C#CCOc1ccc(-c2cc(=O)c3c(O)cc(F)cc3o2)cc1
C=CCOc1ccc(-c2cc(=O)c3c(O)cc(F)cc3o2)cc1
CC(C)COc1ccc(-c2cc(=O)c3c(O)cc(F)cc3o2)cc1
CCCOc1ccc(-c2cc(=O)c3c(Cl)cc(OC)cc3o2)cc1
COc1cc(Cl)c2c(=O)cc(-c3ccc(OC(C)C)cc3)oc2c1
COc1cc(Cl)c2c(=O)cc(-c3ccc(CC(C)C)cc3)oc2c1
C#CCOc1ccc(-c2cc(=O)c3c(Cl)cc(OC)cc3o2)cc1
C=CCOc1ccc(-c2cc(=O)c3c(Cl)cc(OC)cc3o2)cc1
COc1cc(Cl)c2c(=O)cc(-c3ccc(OCC(C)C)cc3)oc2c1
CCCOc1ccc(-c2cc(=O)c3c(OC)cc(Cl)cc3o2)cc1
COc1cc(Cl)cc2oc(-c3ccc(OC(C)C)cc3)cc(=O)c12
COc1cc(Cl)cc2oc(-c3ccc(CC(C)C)cc3)cc(=O)c12
C#CCOc1ccc(-c2cc(=O)c3c(OC)cc(Cl)cc3o2)cc1
C=CCOc1ccc(-c2cc(=O)c3c(OC)cc(Cl)cc3o2)cc1
COc1cc(Cl)cc2oc(-c3ccc(OCC(C)C)cc3)cc(=O)c12
CCCOc1ccc(-c2cc(=O)c3c(O)cc(Cl)cc3o2)cc1
CC(C)Oc1ccc(-c2cc(=O)c3c(O)cc(Cl)cc3o2)cc1
CC(C)Cc1ccc(-c2cc(=O)c3c(O)cc(Cl)cc3o2)cc1
C#CCOc1ccc(-c2cc(=O)c3c(O)cc(Cl)cc3o2)cc1
C=CCOc1ccc(-c2cc(=O)c3c(O)cc(Cl)cc3o2)cc1
CC(C)COc1ccc(-c2cc(=O)c3c(O)cc(Cl)cc3o2)cc1
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)|
N[C@@]1(C[C@]1(F)c1ccccc1)c1ccccc1 |r|
N[C@H]1C[C@@]1(F)c1ccccc1 |r|
COc1ccc(cc1OC)[C@@]1(F)C[C@H]1N |r|
COc1ccc(cc1OC)[C@@]1(F)C[C@@H]1N |r|
COc1ccc(cc1)[C@@]1(F)C[C@H]1N |r|
COc1ccc(cc1)[C@@]1(F)C[C@@H]1N |r|
Cc1ccc(cc1)[C@@]1(F)C[C@H]1N |r|
Cc1ccc(cc1)[C@@]1(F)C[C@@H]1N |r|
N[C@@H]1C[C@]1(F)c1ccc(cc1)C(F)(F)F |r|
N[C@H]1C[C@]1(F)c1ccc(cc1)C(F)(F)F |r|
N[C@@H]1C[C@]1(F)c1ccc(F)cc1 |r|
N[C@H]1C[C@]1(F)c1ccc(F)cc1 |r|
N[C@@H]1C[C@]1(F)c1ccc(Cl)cc1 |r|
N[C@H]1C[C@]1(F)c1ccc(Cl)cc1 |r|
N[C@@H]1C[C@]1(F)c1ccccc1 |r|
N[C@H]1C[C@]1(F)c1ccccc1 |r|
N[C@@H]1C[C@@H]1c1ccccc1 |r|
NC[C@]1(C[C@@H]1F)c1ccccc1 |r|
CC1CCCCC1=NNc1nc(cs1)-c1ccccc1 |w:7.8|
CC1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)C#N |w:7.8|
CC1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O |w:7.8|
COc1ccc(cc1)-c1csc(NN=C2CCCCC2C)n1 |w:13.13|
CC1CCCCC1=NNc1nc(cs1)-c1ccc(C)cc1 |w:7.8|
CC1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1F |w:7.8|
CC1CCCCC1=NNc1nc(cs1)-c1ccc(Cl)cc1Cl |w:7.8|
CC1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1 |w:7.8|
CC1CCCCC1=NNc1nc(cs1)-c1ccc(Cl)cc1 |w:7.8|
C[C@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1 |r,w:7.8|
C[C@@H]1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)C#N |r,w:7.8|
C[C@H]1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)C#N |r,w:7.8|
C[C@@H]1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O |r,w:7.8|
C[C@H]1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O |r,w:7.8|
C[C@@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1F |r,w:7.8|
C[C@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1F |r,w:7.8|
C[C@@H]1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1 |r,w:7.8|
CN1C2C(N=C1C=Cc1cccc(Br)c1)N(C)C(=O)N(C)C2=O |w:6.6,c:4|
CN1C2C(N=C1C=Cc1ccc(Cl)c(Cl)c1)N(C)C(=O)N(C)C2=O |w:6.6,c:4|
Cc1cc(=O)oc2c(C)c(O)ccc12
Cc1cc(=O)oc2c(C)c3oc4CCCc4c3cc12
COc1c2occc2cc2cc(N)c(=O)oc12
COc1c2c(C)coc2cc2oc(=O)ccc12
Cc1c(OCC(Br)=C)ccc2c3ccccc3c(=O)oc12
COc1c(OCC(C)=O)ccc2c1oc(=O)c1ccccc21
CC(=O)COc1ccc2c(oc(=O)c3ccccc23)c1C
Cc1c(OCC(Br)=C)ccc2c3CCCCc3c(=O)oc12
Cc1c(OCC(Br)=C)ccc2c3CCCc3c(=O)oc12
COc1c(OCC(C)=O)ccc2c3CCCCc3c(=O)oc12
CC(=O)COc1ccc2c3CCCCc3c(=O)oc2c1C
CC(=O)COc1ccc2c3CCCc3c(=O)oc2c1C
COc1c(OCC(C)=O)ccc2c3CCCc3c(=O)oc12
Cc1cc(=O)oc2cc(OC3CCCC3=O)ccc12
Cc1cc(=O)oc2c(C)c(OC3CCCCC3=O)ccc12
Cc1cc(=O)oc2c(C)c(OC3CCCC3=O)ccc12
COc1c(OC2CCCC2=O)ccc2ccc(=O)oc12
COc1cc(OCC(C)=O)cc2oc(=O)ccc12
COc1c(O)ccc2c3CCCCc3c(=O)oc12
CC1=CC(=O)Oc2c1ccc(c2)O
Cn1c(CNc2ccccc2)cc2ccccc12
CN(Cc1cc2ccccc2n1C)c1ccccc1
CN(Cc1cc2ccccc2[nH]1)Cc1ccccc1
CN(Cc1cc2ccccc2n1C)Cc1ccccc1
C(Cc1ccccc1)NCc1cc2ccccc2[nH]1
CN(CCc1ccccc1)Cc1cc2ccccc2[nH]1
CN(CCc1ccccc1)Cc1cc2ccccc2n1C
CN(CCCc1ccccc1)Cc1cc2ccccc2[nH]1
CN(CCCc1ccccc1)Cc1cc2ccccc2n1C
C(CCc1ccccc1)CNCc1cc2ccccc2[nH]1
CC(NC(=O)c1cc2ccccc2[nH]1)c1ccccc1
CC(NCc1cc2ccccc2[nH]1)c1ccccc1
C[C@H](C1CCCCC1)N(C)C(=O)c1cc2ccccc2[nH]1 |r|
C[C@@H](C1CCCCC1)N(C)C(=O)c1cc2ccccc2[nH]1 |r|
C[C@H](C1CCCCC1)N(C)C(=O)c1cc2ccccc2n1C |r|
C[C@@H](C1CCCCC1)N(C)C(=O)c1cc2ccccc2n1C |r|
C[C@H](C1CCCCC1)N(C)Cc1cc2ccccc2[nH]1 |r|
C[C@@H](C1CCCCC1)N(C)Cc1cc2ccccc2[nH]1 |r|
C[C@H](C1CCCCC1)N(C)Cc1cc2ccccc2n1C |r|
C[C@@H](C1CCCCC1)N(C)Cc1cc2ccccc2n1C |r|
Cn1c(cc2ccccc12)C(=O)Nc1ccccc1
CN(C(=O)c1cc2ccccc2n1C)c1ccccc1
O=C(NCc1ccccc1)c1cc2ccccc2[nH]1
CN(Cc1ccccc1)C(=O)c1cc2ccccc2[nH]1
CN(Cc1ccccc1)C(=O)c1cc2ccccc2n1C
O=C(NCCc1ccccc1)c1cc2ccccc2[nH]1
CN(CCc1ccccc1)C(=O)c1cc2ccccc2[nH]1
CN(CCc1ccccc1)C(=O)c1cc2ccccc2n1C
O=C(NCCCc1ccccc1)c1cc2ccccc2[nH]1
CN(CCCc1ccccc1)C(=O)c1cc2ccccc2[nH]1
Cn1c(cc2ccccc12)C(=O)NCCCc1ccccc1
CN(CCCc1ccccc1)C(=O)c1cc2ccccc2n1C
O=C(NCCCCc1ccccc1)c1cc2ccccc2[nH]1
CN(CCCCc1ccccc1)C(=O)c1cc2ccccc2[nH]1
CN(CCCCc1ccccc1)C(=O)c1cc2ccccc2n1C
C(Nc1ccccc1)c1cc2ccccc2[nH]1
CN(Cc1cc2ccccc2[nH]1)c1ccccc1
O=C(Nc1ccccc1)c1cc2ccccc2[nH]1
CN(C(=O)c1cc2ccccc2[nH]1)c1ccccc1
Oc1ccccc1C1=NN(C(C1)c1cccs1)C(=S)Nc1ccccc1 |t:8|
Oc1ccccc1C1=NN(C(C1)c1ccco1)C(=S)Nc1ccccc1 |t:8|
Oc1ccc(cc1)C1CC(=NN1C(=S)Nc1ccccc1)c1ccc(O)cc1 |c:10|
NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccccc1O |c:4|
Oc1ccccc1C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1 |c:10|
Oc1ccc(cc1)C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1 |c:10|
COc1ccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2O)cc1 |c:10|
COc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2O)cc1 |c:10|
Cc1ccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2O)cc1 |c:9|
Cc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2O)cc1 |c:9|
COc1cc(ccc1O)C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O |c:12|
COc1ccc(NC(=S)N2N=C(CC2c2ccc(O)c(OC)c2)c2ccccc2O)cc1 |c:10|
COc1cc(ccc1O)C1CC(=NN1C(=S)Nc1ccc(C)cc1)c1ccccc1O |c:12|
COc1cc(ccc1O)C1CC(=NN1C(=S)Nc1ccccc1)c1ccc(O)cc1O |c:12|
COc1ccc(NC(=S)N2N=C(CC2c2ccc(O)c(OC)c2)c2ccc(O)cc2O)cc1 |c:10|
Oc1ccc(cc1)C1CC(=NN1C(=S)Nc1ccccc1)c1ccc(O)cc1O |c:10|
COc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccc(O)cc2O)cc1 |c:10|
COc1ccccc1NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccccc1O |c:13|
COc1ccccc1NC(=S)N1N=C(CC1c1ccccc1O)c1ccccc1O |c:13|
COc1cc(ccc1O)C1CC(=NN1C(=S)Nc1ccccc1OC)c1ccccc1O |c:12|
COc1ccccc1NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccc(O)cc1O |c:13|
COc1cc(ccc1O)C1CC(=NN1C(=S)Nc1ccccc1OC)c1ccc(O)cc1O |c:12|
Cc1ccccc1NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccccc1O |c:12|
Cc1ccccc1NC(=S)N1N=C(CC1c1ccccc1O)c1ccccc1O |c:12|
COc1cc(ccc1O)C1CC(=NN1C(=S)Nc1ccccc1C)c1ccccc1O |c:12|
Oc1ccccc1C1=NN(C(C1)c1ccccc1)C(=S)Nc1ccccc1 |t:8|
Oc1ccccc1C1=NN(C(C1)c1ccccc1Cl)C(=S)Nc1ccccc1 |t:8|
Oc1ccccc1C1=NN(C(C1)c1ccc(Cl)cc1)C(=S)Nc1ccccc1 |t:8|
Oc1ccccc1C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O |c:10|
Oc1ccc(cc1)C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O |c:10|
COc1ccccc1C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O |c:11|
COc1ccc(cc1)C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O |c:11|
c1ccc(cc1)C2=NCCN2
Cc1ccc(cc1)C1=NCCN1 |t:8|
COc1ccc(cc1)C1=NCCN1 |t:9|
COc1ccc(cc1OC)C1=NCCN1 |t:11|
COc1cc(cc(OC)c1OC)C1=NCCN1 |t:13|
O=C(Oc1ccccc1)c1ccc(cc1)C1=NCCN1 |t:17|
Clc1ccc(cc1)C1=NCCN1 |t:8|
Clc1ccccc1C1=NCCN1 |t:8|
Clc1ccc(C2=NCCN2)c(Cl)c1 |t:5|
[O-][N+](=O)c1ccc(cc1)C1=NCCN1 |t:10|
[O-][N+](=O)c1cccc(c1)C1=NCCN1 |t:10|
C1CN=C(N1)c1ccc2ccccc2c1 |c:2|
C1CN=C(N1)c1ccco1 |c:2|
C1CN=C(N1)c1ccccn1 |c:2|
C1CN=C(N1)c1ccc2ccccc2n1 |c:2|
Cc1ccc(cc1)C(=CCc1cccs1)N=Nc1nc2ccccc2c(=O)n1C |w:8.9,16.18|
Cn1c(N=NC(=CCc2cccs2)c2ccc(Cl)cc2)nc2ccccc2c1=O |w:6.6,3.2|
COc1ccc(cc1)C(=CCc1cccs1)N=Nc1nc2ccccc2c(=O)n1C |w:9.10,17.19|
Cc1ccc(cc1)C(=CCc1ccco1)N=Nc1nc2ccccc2c(=O)n1C |w:8.9,16.18|
Cn1c(N=NC(=CCc2ccco2)c2ccc(Cl)cc2)nc2ccccc2c1=O |w:6.6,3.2|
COc1ccc(cc1)C(=CCc1ccco1)N=Nc1nc2ccccc2c(=O)n1C |w:9.10,17.19|
Cn1c(N=NC(=CCc2ccccc2)c2ccccc2)nc2ccccc2c1=O |w:6.6,3.2|
Cn1c(N=NC(=CCc2ccc(Cl)cc2)c2ccccc2)nc2ccccc2c1=O |w:6.6,3.2|
Cn1c(N=NC(=CCc2cccc(Cl)c2)c2ccccc2)nc2ccccc2c1=O |w:6.6,3.2|
Cc1ccc(CC=C(N=Nc2nc3ccccc3c(=O)n2C)c2ccccc2)cc1 |w:6.5,9.9|
COc1ccc(CC=C(N=Nc2nc3ccccc3c(=O)n2C)c2ccccc2)cc1 |w:7.6,10.10|
Cn1c(N=NC(=CCc2ccc(Br)cc2)c2ccccc2)nc2ccccc2c1=O |w:6.6,3.2|
CCOc1ccc(CC=C(N=Nc2nc3ccccc3c(=O)n2C)c2ccccc2)cc1 |w:8.7,11.11|
COc1ccc(CC=C(N=Nc2nc3ccccc3c(=O)n2C)c2ccccc2)cc1OC |w:7.6,10.10|
Cc1ccc(cc1)C1=NN(C(C1)c1cccs1)c1nc2ccccc2c(=O)n1C |t:8|
Cn1c(nc2ccccc2c1=O)N1N=C(CC1c1cccs1)c1ccc(Cl)cc1 |c:15|
COc1ccc(cc1)C1=NN(C(C1)c1cccs1)c1nc2ccccc2c(=O)n1C |t:9|
Cc1ccc(cc1)C1=NN(C(C1)c1ccco1)c1nc2ccccc2c(=O)n1C |t:8|
Cn1c(nc2ccccc2c1=O)N1N=C(CC1c1ccco1)c1ccc(Cl)cc1 |c:15|
COc1ccc(cc1)C1=NN(C(C1)c1ccco1)c1nc2ccccc2c(=O)n1C |t:9|
Cn1c(nc2ccccc2c1=O)N1N=C(CC1c1ccccc1)c1ccccc1 |c:15|
Cn1c(nc2ccccc2c1=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:15|
Cn1c(nc2ccccc2c1=O)N1N=C(CC1c1cccc(Cl)c1)c1ccccc1 |c:15|
Cc1ccc(cc1)C1CC(=NN1c1nc2ccccc2c(=O)n1C)c1ccccc1 |c:10|
COc1ccc(cc1)C1CC(=NN1c1nc2ccccc2c(=O)n1C)c1ccccc1 |c:11|
Cn1c(nc2ccccc2c1=O)N1N=C(CC1c1ccc(Br)cc1)c1ccccc1 |c:15|
Cn1c(=S)[nH]c2ccccc2c1=O
Cn1c(NN)nc2ccccc2c1=O
O=C1Nc2ccc(\C=C\c3ccccc3)cc2C1=O
Clc1cccc(\C=C\c2ccc3NC(=O)C(=O)c3c2)c1
Fc1cccc(\C=C\c2ccc3NC(=O)C(=O)c3c2)c1
O=C1Nc2cc(\C=C\c3ccccc3)ccc2C1=O
NCCOCc1cccc(Cl)c1
CCN=C1CCc2c1n(C)c1ccccc21 |w:2.1|
COc1cc(Br)c2oc(cc2c1)C1CCNCC1
CCCN=C1CCc2c1n(C)c1ccccc21 |w:3.2|
CNC(=O)Oc1cc2c3CCC(=NC)c3n(C)c2cc1Cl |w:12.12|
CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)c(Cl)c21 |w:2.1|
CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)c(Br)c21 |w:2.1|
CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1)=NC |w:18.21|
CC(C)N=C1CCc2c1n(C)c1ccccc21 |w:3.2|
CCCn1c2C(CCc2c2c(Br)c(OC(=O)NC)ccc12)=NCC |w:21.24|
CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Cl)=NC |w:19.22|
CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)cc21 |w:2.1|
CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Br)=NC |w:19.22|
CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1)=NCCc1ccccc1 |w:18.21|
CN=C1CCc2c1n(C)c1ccc(OC(=O)NCc3ccccc3)c(Br)c21 |w:1.0|
CCCCNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Br)=NC |w:22.25|
Cn1c2C(CCc2c2ccccc12)=NCc1ccncc1 |w:13.16|
CN=C1CCc2c1n(C)c1ccccc21 |w:1.0|
CN=C1CCc2c1n(C)c1ccc(OC(=O)N(C)C)c(Br)c21 |w:1.0|
CCCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)cc21 |w:3.2|
CCOC(=O)/C=C/c1ccc(c(c1)OC)O
COc1cc(O)ccc1O
CCNC(=S)N1N=C(CC1c1cccs1)c1ccc(OC)cc1 |c:6|
COc1ccc(C2=NN(C(C2)c2ccccc2C)C(C)=O)c(OC)c1 |t:6|
Oc1ccc(\C=C/c2cc(O)cc(O)c2)cc1
COc1ccc(cc1)C1=NN(C(C1)c1cccs1)C(=S)N=CC |w:21.24,t:9|
COc1ccc(cc1)C1=NN(C(C1)c1cccs1)C(=S)Nc1ccccc1 |t:9|
Cc1ccc(cc1)C1=NN(C(C1)c1cccs1)C(=S)NCC=C |t:8|
NCCNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CCCCNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CCCCN(C)C(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
NC(=O)[C@@H]1CCCN1Cc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12 |r|
NC(=O)Cc1cc(=O)oc2cc(OCc3cccc(O)c3)ccc12
NC(=O)Cc1cc(=O)oc2cc(OCc3cccnc3)ccc12
C[C@H](NCc1cc(=O)oc2cc(OCc3ccccc3)ccc12)C(N)=O |r|
CN(C)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
NC(=O)Cc1cc(=O)oc2cc(OCc3ccncc3)ccc12
NC(=O)[C@H](CO)Nc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 |r|
Clc1cccc(COc2ccc3c(CNCc4ccccc4)cc(=O)oc3c2)c1
CC(C)NCc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
Clc1cccc(COc2ccc3c(CC(=O)NCc4ccccc4)cc(=O)oc3c2)c1
CN(Cc1ccccc1)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
NC(=O)[C@@H]1CCCN1c1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 |r|
NC(=O)[C@@H]1CCCN1c1cc(=O)oc2cc(OCc3ccccc3)ccc12 |r|
CNC(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
CNCc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
CNCc1cc(=O)oc2cc(OCc3ccc4OCOc4c3)ccc12
NCc1cc(=O)oc2cc(OCc3ccccc3)ccc12
CNCc1cc(=O)oc2cc(OCc3ccccc3)ccc12
NNC(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
NC(=O)Cc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
NNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CC(C(N)=O)c1cc(=O)oc2cc(OCc3ccccc3)ccc12
CC(C(N)=O)c1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
CCNCc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
NC(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
C[C@H](Nc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12)C(N)=O |r|
O=c1cc(CC#N)c2ccc(OCc3ccccc3)cc2o1
NCCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CNCCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
NC(=O)[C@@H]1CCCN1Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12 |r|
CN(C)C(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
CN(C)CCc1cc(=O)oc2cc(OCc3ccccc3)ccc12
CN(C)Cc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
C[C@H](Nc1cc(=O)oc2cc(OCc3ccccc3)ccc12)C(N)=O |r|
COc1ccc(cc1)-c1cc2cc(C)ccc2oc1=O
COc1cccc(c1)-c1cc2cc(C)ccc2oc1=O
Cc1ccc2oc(=O)c(cc2c1)-c1ccc(O)cc1
NC(=S)N1N=C2CCCCC2C1c1ccco1 |t:4|
CNC(=S)N1N=C2CCCCC2C1c1ccco1 |t:5|
CCNC(=S)N1N=C2CCCCC2C1c1ccco1 |t:6|
CCCNC(=S)N1N=C2CCCCC2C1c1ccco1 |t:7|
S=C(Nc1ccccc1)N1N=C2CCCCC2C1c1ccco1 |t:11|
NC(=S)N1N=C2CCCCC2C1c1cccs1 |t:4|
CNC(=S)N1N=C2CCCCC2C1c1cccs1 |t:5|
CCNC(=S)N1N=C2CCCCC2C1c1cccs1 |t:6|
CCCNC(=S)N1N=C2CCCCC2C1c1cccs1 |t:7|
S=C(Nc1ccccc1)N1N=C2CCCCC2C1c1cccs1 |t:11|
ONC(=N)N1N=C(CC1c1ccc(O)cc1)c1ccccc1O |c:5|
Oc1ccccc1C1CC(N=N1)c1ccccc1O |c:11|
Oc1ccc(cc1)C1CC(N=N1)c1ccccc1O |c:11|
Oc1ccccc1C1CC(=NN1C(=O)c1ccccc1)c1ccccc1O |c:10|
Oc1ccc(cc1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1O |c:10|
Oc1ccccc1C1CC(=NN1S(=O)(=O)c1ccccc1)c1ccccc1O |c:10|
Oc1ccc(cc1)C1CC(=NN1S(=O)(=O)c1ccccc1)c1ccccc1O |c:10|
Cc1ccc(cc1)S(=O)(=O)N1N=C(CC1c1ccccc1O)c1ccccc1O |c:12|
Cc1ccc(cc1)S(=O)(=O)N1N=C(CC1c1ccc(O)cc1)c1ccccc1O |c:12|
ONC(=N)N1N=C(CC1c1ccccc1O)c1ccccc1O |c:5|
Cn1c(OCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(OCc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(OCc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(OCc2cccc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(OCc2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
Cc1cccc(COc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
COc1cccc(COc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Brc1cncc(c1)C(=O)NCCN1CCOCC1
Cc1ccc(cn1)C(=O)NCCN1CCOCC1
Fc1ccc(cn1)C(=O)NCCN1CCOCC1
Clc1ccc(cn1)C(=O)NCCN1CCOCC1
O=C(NCCN1CCOCC1)c1ccc(=O)[nH]c1
Cc1ccc(C(=O)NCCN2CCOCC2)c(Cl)n1
Clc1cc(cnc1Cl)C(=O)NCCN1CCOCC1
Clc1cc(c[nH]c1=O)C(=O)NCCN1CCOCC1
O=C(NCCCN1CCOCC1)c1cccnc1
Clc1ncccc1C(=O)NCCCN1CCOCC1
Brc1ncccc1C(=O)NCCCN1CCOCC1
O=C(NCCCN1CCOCC1)c1ccc[nH]c1=O
Clc1ccncc1C(=O)NCCCN1CCOCC1
Brc1cncc(c1)C(=O)NCCCN1CCOCC1
Cc1ccc(cn1)C(=O)NCCCN1CCOCC1
Fc1ccc(cn1)C(=O)NCCCN1CCOCC1
Clc1ccc(cn1)C(=O)NCCCN1CCOCC1
O=C(NCCCN1CCOCC1)c1ccc(=O)[nH]c1
Cc1ccc(C(=O)NCCCN2CCOCC2)c(Cl)n1
Clc1cc(cnc1Cl)C(=O)NCCCN1CCOCC1
Clc1cc(c[nH]c1=O)C(=O)NCCCN1CCOCC1
O=C(NCCN1CCOCC1)c1cccnc1
Clc1ncccc1C(=O)NCCN1CCOCC1
Brc1ncccc1C(=O)NCCN1CCOCC1
O=C(NCCN1CCOCC1)c1ccc[nH]c1=O
Clc1ccncc1C(=O)NCCN1CCOCC1
COc1ccc2C(=O)C[C@H](Oc2c1)c1ccc(F)cc1 |r|
COc1ccc2C(=O)C[C@@H](Oc2c1)c1ccc(F)cc1 |r|
Cc1ccc(cc1)[C@@H]1CC(=O)c2ccc(C)cc2O1 |r|
Cc1ccc(cc1)[C@H]1CC(=O)c2ccc(C)cc2O1 |r|
Cc1ccc2C(=O)C[C@H](Oc2c1)c1ccccc1 |r|
Cc1ccc2C(=O)C[C@@H](Oc2c1)c1ccccc1 |r|
Cc1ccc(cc1)[C@@H]1CC(=O)c2ccc(F)cc2O1 |r|
Cc1ccc(cc1)[C@H]1CC(=O)c2ccc(F)cc2O1 |r|
Fc1ccc(cc1)[C@@H]1CC(=O)c2ccc(F)cc2O1 |r|
Fc1ccc(cc1)[C@H]1CC(=O)c2ccc(F)cc2O1 |r|
Fc1ccc2C(=O)C[C@H](Oc2c1)c1ccccc1 |r|
Fc1ccc2C(=O)C[C@@H](Oc2c1)c1ccccc1 |r|
COc1ccc(cc1)-c1cc(=S)c2ccc(OC)cc2o1
COc1ccc2c(c1)oc(cc2=S)-c1ccc(C)cc1
Cc1ccc(cc1)-c1cc(=S)c2ccc(C)cc2o1
Cc1ccc(cc1)-c1cc(=S)c2ccc(F)cc2o1
Fc1ccc(cc1)-c1cc(=S)c2ccc(F)cc2o1
COc1ccc(cc1)-c1cc(=S)c2ccccc2o1
Cc1ccc(cc1)-c1cc(=S)c2ccccc2o1
COc1ccc(cc1)-c1cc(=O)c2ccc(OC)cc2o1
COc1ccc2c(c1)oc(cc2=O)-c1ccc(C)cc1
COc1ccc(cc1)-c1cc(=O)c2ccc(F)cc2o1
Cc1ccc(cc1)-c1cc(=O)c2ccc(F)cc2o1
Fc1ccc2c(c1)oc(cc2=O)-c1ccccc1
COc1ccc(cc1)C1CC(=O)c2ccc(OC)cc2O1
COc1ccc2C(=O)CC(Oc2c1)c1ccc(C)cc1
COc1ccc2C(=O)CC(Oc2c1)c1ccccc1
COc1ccc(cc1)C1CC(=O)c2ccc(C)cc2O1
Cc1ccc2C(=O)CC(Oc2c1)c1ccc(F)cc1
COc1ccc(cc1)C1CC(=O)c2ccc(F)cc2O1
COc1ccc(cc1)C1CC(=O)c2ccccc2O1
Cc1ccc(cc1)C1CC(=O)c2ccccc2O1
Fc1ccc(cc1)C1CC(=O)c2ccccc2O1
O=C1CC(Oc2ccccc12)c1ccccc1
COc1ccc2c(c1)oc(cc2=O)-c1ccc(F)cc1
NC(=S)N1N=C(CC1c1ccccc1)c1ccccc1 |c:4|
Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccccc1 |c:10|
NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:4|
NC(=S)N1N=C(CC1c1ccco1)c1ccccc1 |c:4|
Cc1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)C(N)=S |t:8|
Cc1ccc(cc1)C1=NN(C(C1)c1cccs1)C(N)=S |t:8|
NC(=S)N1N=C(CC1c1cccs1)c1ccc(F)cc1 |c:4|
Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccc(Cl)cc1 |c:10|
NC(=S)N1N=C(CC1c1ccc(F)cc1)c1ccc(Cl)cc1 |c:4|
NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(Cl)cc1 |c:4|
NC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(Cl)cc1 |c:4|
Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccco1 |c:10|
NC(=S)N1N=C(CC1c1ccc(F)cc1)c1ccco1 |c:4|
NC(=S)N1N=C(CC1c1ccc[nH]1)c1cccs1 |c:4|
NC(=S)N1N=C(CC1c1ccco1)c1ccc[nH]1 |c:4|
OC(=O)c1coc2ccccc2c1=O
COc1cccc(c1)-c1csc(N=NC(C)C)n1 |w:13.14|
CCC(CC)N=Nc1nc(cs1)-c1cccc(OC)c1 |w:5.4|
CCCC(C)N=Nc1nc(cs1)-c1cccc(OC)c1 |w:5.4|
CCCCCC(C)N=Nc1nc(cs1)-c1cccc(OC)c1 |w:7.6|
[#6]-[#8]-c1cccc(c1)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-2)n1
COc1cccc(c1)-c1csc(NN=C2CCCC2C)n1 |w:13.13|
COc1cccc(c1)-c1csc(NN=C2CCC(C)C2)n1 |w:13.13|
[#6]-[#8]-c1cccc(c1)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
COc1cccc(c1)-c1csc(NN=C2CCCCC2C)n1 |w:13.13|
COc1cccc(c1)-c1csc(NN=C2CCCC(C)C2)n1 |w:13.13|
[#6]-[#8]-c1cccc(c1)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6](-[#6])-[#6]-[#6]-2)n1
[#6]-[#8]-c1cccc(c1)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
COc1cccc(c1)-c1csc(N=NCc2ccco2)n1 |w:13.14|
COc1cccc(c1)-c1csc(N=NC(C)c2ccco2)n1 |w:13.14|
COc1cccc(c1)-c1csc(N=NCc2cccs2)n1 |w:13.14|
COc1cccc(c1)-c1csc(N=NC(C)c2cccs2)n1 |w:13.14|
COc1cccc(c1)-c1csc(N=NCc2cccnc2)n1 |w:13.14|
COc1cccc(c1)-c1csc(N=NC(C)c2cccnc2)n1 |w:13.14|
COc1cccc(c1)-c1csc(N=NCc2ccncc2)n1 |w:13.14|
COc1cccc(c1)-c1csc(N=NC(C)c2ccncc2)n1 |w:13.14|
COc1cccc(c1)-c1csc(N=NCc2c[nH]c3ccccc23)n1 |w:13.14|
COc1cccc(c1)-c1csc(N\N=C(/C)c2cc3ccccc3oc2=O)n1
Cc1ccc2oc(=O)c(cc2c1)-c1ccccc1Br
Cc1cc(Br)c2oc(=O)c(cc2c1)-c1ccccc1
COc1ccc(cc1)-c1cc2cc(C)cc(Br)c2oc1=O
COc1cc(OC)cc(c1)-c1cc2cc(C)cc(Br)c2oc1=O
COc1cc(cc(OC)c1OC)-c1cc2cc(C)cc(Br)c2oc1=O
CC1CCCC(C1)=NNc1nc(cs1)-c1ccccc1 |w:7.8|
C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccccc1 |r,w:7.8|
CC1CCCC(C1)=NNc1nc(cs1)-c1ccc(Cl)cc1 |w:7.8|
C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(Cl)cc1 |r,w:7.8|
CC1CCCC(C1)=NNc1nc(cs1)-c1ccc(F)cc1 |w:7.8|
C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(F)cc1 |r,w:7.8|
CC1CCCC(C1)=NNc1nc(cs1)-c1ccc(Cl)cc1Cl |w:7.8|
C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(Cl)cc1Cl |r,w:7.8|
CC1CCCC(C1)=NNc1nc(cs1)-c1ccc(F)cc1F |w:7.8|
C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(F)cc1F |r,w:7.8|
C[C@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(F)cc1F |r,w:7.8|
CC1CCCC(C1)=NNc1nc(cs1)-c1ccc(C)cc1 |w:7.8|
C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(C)cc1 |r,w:7.8|
COc1ccc(cc1)-c1csc(NN=C2CCCC(C)C2)n1 |w:13.13|
COc1ccc(cc1)-c1csc(NN=C2CCC[C@@H](C)C2)n1 |r,w:13.13|
CC1CCCC(C1)=NNc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O |w:7.8|
C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O |r,w:7.8|
C[C@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O |r,w:7.8|
CC1CCCC(C1)=NNc1nc(cs1)-c1ccc(cc1)C#N |w:7.8|
C[C@@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(cc1)C#N |r,w:7.8|
C[C@H]1CCCC(C1)=NNc1nc(cs1)-c1ccc(cc1)C#N |r,w:7.8|
Cc1cc2cc(NC(=O)\C=C\c3ccccc3)ccc2[nH]1
Cc1cc2cc(NC(=O)\C=C\c3cccc(Cl)c3)ccc2[nH]1
Cc1cc2cc(NC(=O)C3CCCCC3)ccc2[nH]1
Cc1cc2cc(NC(=O)c3cccc(c3)S(O)(=O)=O)ccc2[nH]1
Cc1cc2cc(NC(=O)c3ccc[n+](C)c3)ccc2[nH]1
O=C(Oc1ccc2OC(=O)Cc2c1)c1ccccc1
Clc1cccc(c1)C(=O)Oc1ccc2OC(=O)Cc2c1
O=C(Oc1ccc2OC(=O)Cc2c1)\C=C\c1ccccc1
Clc1cccc(\C=C\C(=O)Oc2ccc3OC(=O)Cc3c2)c1
Cc1cc2cc(NC(=O)c3ccccc3)ccc2[nH]1
Cc1cc2cc(NC(=O)c3cccc(Cl)c3)ccc2[nH]1
COc1ccc(cc1)C1=NN(CC1)C(N)=S |t:9|
Cc1ccc(cc1)C1=NN(CC1)C(N)=S |t:8|
CNC(=S)N1CCC(=N1)c1ccc(F)cc1 |c:7|
CNC(=S)N1CCC(=N1)c1cccc(C)c1 |c:7|
CNC(=S)N1CCC(=N1)c1cccc(OC)c1 |c:7|
CNC(=S)N1CCC(=N1)c1ccc(OC)cc1 |c:7|
CNC(=S)N1CCC(=N1)c1ccc(C)cc1 |c:7|
CNC(=S)N1CC(C)C(=N1)c1ccc(OC)cc1 |c:8|
COc1ccc(cc1)C1=NN(CC1C)C(N)=S |t:9|
CNC(=S)N1CC(C)C(=N1)c1ccc(Cl)cc1 |c:8|
NCc1cn(nn1)-c1ccccc1
NCc1cn(nn1)-c1ccc(cc1)C(O)=O
NCc1cn(nn1)-c1cccc(c1)C(O)=O
NCc1cn(nn1)-c1ccncc1
COc1ccc2c(c1)[nH]c1c(C)nccc21
Cc1nccc2c3ccc(OCC4CCCCC4)cc3[nH]c12
COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
CSc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
c1ccc(cc1)COc2cccc(c2)N
Nc1ccc(CCc2ccccc2)cc1
Nc1cccc(CCc2ccccc2)c1
Nc1ccc(Oc2ccccc2)cc1
Nc1cccc(Oc2ccccc2)c1
Nc1ccc(CCCCc2ccccc2)cc1
Nc1ccc(Oc2ccc(Cl)cc2)cc1
Nc1ccc(\C=C\c2ccccc2)cc1
Nc1cccc(\C=C\c2ccccc2)c1
Nc1ccc(OCc2ccccc2)cc1
O=C1Nc2ccc(OCc3ccccc3)cc2C1=O
O=C1Nc2cc(OCc3ccccc3)ccc2C1=O
O=C1Nc2ccc(CCc3ccccc3)cc2C1=O
O=C1Nc2cc(CCc3ccccc3)ccc2C1=O
O=C1Nc2ccc(Oc3ccccc3)cc2C1=O
O=C1Nc2cc(Oc3ccccc3)ccc2C1=O
O=C1Nc2ccc(cc2C1=O)-c1ccccc1
O=C1Nc2cc(ccc2C1=O)-c1ccccc1
O=C1Nc2ccc(CCCCc3ccccc3)cc2C1=O
Clc1ccc(Oc2ccc3NC(=O)C(=O)c3c2)cc1
O=c1oc2ccccc2cc1-c1cccs1
O=c1oc2ccccc2cc1-c1ccsc1
O=c1oc2ccccc2cc1-c1c[nH]c2ccccc12
COc1ccc2cc(-c3cccs3)c(=O)oc2c1
COc1ccc2cc(-c3ccsc3)c(=O)oc2c1
COc1ccc2cc(-c3c[nH]c4ccccc34)c(=O)oc2c1
COc1ccc2oc(=O)c(cc2c1)-c1cccs1
COc1ccc2oc(=O)c(cc2c1)-c1ccsc1
[O-][N+](=O)c1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12 |c:13|
Oc1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12 |c:11|
Clc1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12 |c:11|
Cc1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12 |c:11|
C1C(N=NC1c1c2ccccc2cc2ccccc12)c1ccccc1 |c:2|
Oc1ccccc1C1CC(N=N1)c1c2ccccc2cc2ccccc12 |c:11|
Oc1ccc(C2CC(N=N2)c2c3ccccc3cc3ccccc23)c(O)c1 |c:8|
C1C(N=NC1c1c2ccccc2cc2ccccc12)c1ccccn1 |c:2|
[O-][N+](=O)c1cccc(c1)C1CC(N=N1)c1c2ccccc2cc2ccccc12 |c:13|
COc1ccc(cc1)C1CC(N=N1)c1c2ccccc2cc2ccccc12 |c:12|
COc1ccc(\C=C2/COc3cc(OC)cc(OC)c3C2=O)cc1
Clc1ccc(\C=C2/COc3cc(Cl)cc(Cl)c3C2=O)cc1
Clc1ccc(\C=C2/COc3ccc(Cl)cc3C2=O)cc1
Cc1ccc2oc(=O)c(cc2c1)-c1ccccc1
COc1cc(OC)cc(c1)-c1cc2cc(C)ccc2oc1=O
COc1cc(cc(OC)c1OC)-c1cc2cc(C)ccc2oc1=O
COc1ccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2)cc1 |c:10|
COc1cccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2)c1 |c:11|
Cc1cccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2)c1 |c:10|
COc1ccccc1NC(=S)N1N=C(CC1c1ccccc1O)c1ccccc1 |c:13|
Cc1ccccc1NC(=S)N1N=C(CC1c1ccccc1O)c1ccccc1 |c:12|
COc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2)cc1 |c:10|
Cc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2)cc1 |c:9|
COc1cccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2)c1 |c:11|
Cc1cccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2)c1 |c:10|
Cc1ccccc1NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccccc1 |c:12|
Cc1ccc(cc1)C1CC(=NN1C(N)=O)c1ccccc1 |c:10|
NC(=O)N1N=C(CC1c1ccncc1)c1ccccc1 |c:4|
COc1ccc(cc1)C1CC(=NN1C(N)=O)c1ccccc1 |c:11|
NC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:4|
NC(=S)N1N=C(CC1c1ccncc1)c1ccccc1 |c:4|
Cc1ccc(cc1)C1CC(=NN1C(N)=N)c1ccccc1 |c:10|
NC(=N)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:4|
COc1ccccc1NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccccc1 |c:13|
Cc1ccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2)cc1 |c:9|
NC(=N)N1N=C(CC1c1ccncc1)c1ccccc1 |c:4|
COc1ccc(cc1)-c1cc2cc(Br)cc(OC)c2oc1=O
Oc1ccc(cc1)-c1cc2cc(Br)cc(O)c2oc1=O
Oc1cc(Br)cc2cc(-c3ccccc3)c(=O)oc12
Oc1cc(Br)cc2cc(C(=O)c3ccccc3)c(=O)oc12
COc1cc(Br)cc2cc(-c3ccccc3)c(=O)oc12
Cn1c(OCCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(OCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(Oc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(OCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(OCc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(OCC2CCC=CC2)nc2n(C)c(=O)n(C)c(=O)c12 |c:8|
Cn1c(OCC2CCCCC2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(OCC2CCCC2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(OCCOc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(OCCOCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
CC(C)CCCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1C
CC(C)CCOc1nc2n(C)c(=O)n(C)c(=O)c2n1C
Cn1c(OCCOc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(OCCOc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O
FC(F)(F)c1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
Oc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O
O=C(NC1CCCCC1)c1coc2ccccc2c1=O
FC(F)(F)Oc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1OC
[O-][N+](=O)c1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
CCCNC(=O)c1coc2ccccc2c1=O
Oc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1
O=C1NC(=O)c2cc(OCCCc3ccccc3)ccc12
O=C1NC(=O)c2cc(OCCc3ccccc3)ccc12
O=C1NC(=O)c2cc(Oc3ccccc3)ccc12
Brc1ccc(CCOc2ccc3C(=O)NC(=O)c3c2)cc1
Brc1ccc(COc2ccc3C(=O)NC(=O)c3c2)cc1
O=C1NC(=O)c2cc(Oc3ccc4ccccc4c3)ccc12
Brc1ccc(Oc2ccc3C(=O)NC(=O)c3c2)cc1
O=C1NC(=O)c2cc(OC\C=C\c3ccccc3)ccc12
O=C1NC(=O)c2cc(OCc3ccccc3)ccc12
O=C1NC(=O)c2ccccc12
COc1ccc(cc1)C1OC(=NN1C(C)=O)c1ccc(C)cc1 |c:11|
CC(=O)N1N=C(OC1c1ccc(C)cc1)c1ccc(C)cc1 |c:4|
CC(=O)N1N=C(OC1c1ccc(Cl)cc1)c1ccc(cc1)[N+]([O-])=O |c:4|
CC(=O)N1N=C(OC1c1ccc(Cl)cc1)c1ccc(Cl)cc1 |c:4|
CC(=O)N1N=C(OC1c1ccc(Cl)cc1)c1ccc(Br)cc1 |c:4|
COc1ccc(cc1)C1OC(=NN1C(C)=O)c1ccccc1 |c:11|
CC(=O)N1N=C(OC1c1ccc(F)cc1)c1ccccc1 |c:4|
CC(=O)N1N=C(OC1c1ccc(C)cc1)c1ccccc1 |c:4|
CN(C)c1ccc(cc1)C1OC(=NN1C(C)=O)c1ccncc1 |c:12|
CC(=O)N1N=C(O[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r,c:4|
CC(=O)N1N=C(O[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 |r,c:4|
CC(=O)N1N=C(O[C@@H]1c1ccc(C)cc1)c1ccccc1 |r,c:4|
[O-][N+](=O)c1ccc(NNC(=O)c2cc3ccccc3oc2=O)c(c1)[N+]([O-])=O
CCOC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O
NNC(=O)c1cc2ccccc2oc1=O
CCOC(=O)c1cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2oc1=O
CCOC(=O)c1cc2ccc(OC3CCCCCC3)cc2oc1=O
CCOC(=O)c1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O
CC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O
CC(=O)c1cc2cc(Br)cc(Br)c2oc1=O
OC(=O)c1cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2oc1=O
Clc1ccc(NNC(=O)c2cc3ccccc3oc2=O)cc1
OC(=O)c1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O
CC(=O)c1cc2c(ccc3ccccc23)oc1=O
OC(=O)c1cc2ccc(OC3CCCCCC3)cc2oc1=O
O=C(NNc1ccccc1)c1cc2ccccc2oc1=O
CC(=O)c1cc2ccccc2oc1=O
CCOC(=O)c1cc2cc(O)ccc2oc1=O
CC(=O)c1cc2cc(Cl)ccc2oc1=O
COc1ccc2cc(C(C)=O)c(=O)oc2c1
CCOC(=O)c1cc2ccc(OC)cc2oc1=O
CCOC(=O)c1cc2cccc(O)c2oc1=O
CCN(CC)c1ccc2cc(C(=O)c3ccccc3)c(=O)oc2c1
OC(=O)c1cc2cc(I)cc(I)c2oc1=O
CCOC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O
Oc1ccc2oc(=O)c(cc2c1)C(=O)c1ccccc1
CCOC(=O)c1cc2cc(OC)ccc2oc1=O
CCOC(=O)c1cc2ccc(cc2oc1=O)N(CC)CC
CCN(CC)c1ccc2cc(C(C)=O)c(=O)oc2c1
Oc1cccc2cc(C(=O)c3ccccc3)c(=O)oc12
CC(=O)c1cc2cccc(O)c2oc1=O
CC(=O)c1cc2cc(O)ccc2oc1=O
CCOC(=O)c1cc2ccc(OCc3ccc(cc3)C(C)(C)C)cc2oc1=O
O=C(Nc1ccccc1)\C=C\c1ccccc1
Cc1cccc(NC(=O)\C=C\c2ccccc2)c1
Clc1cccc(NC(=O)\C=C\c2ccccc2)c1
Brc1cccc(NC(=O)\C=C\c2ccccc2)c1
O=C(Nc1ccccc1)\C=C\C=C\c1ccccc1
Cc1cccc(NC(=O)\C=C\C=C\c2ccccc2)c1
Clc1cccc(NC(=O)\C=C\C=C\c2ccccc2)c1
Brc1cccc(NC(=O)\C=C\C=C\c2ccccc2)c1
O=C(C\C=C\c1ccccc1)Nc1ccccc1
Cc1cccc(NC(=O)C\C=C\c2ccccc2)c1
Clc1cccc(NC(=O)C\C=C\c2ccccc2)c1
Brc1cccc(NC(=O)C\C=C\c2ccccc2)c1
Oc1cccc(\C=C\C(=O)Nc2cccc(Cl)c2)c1
Oc1cccc(\C=C\C(=O)Nc2cccc(Br)c2)c1
Oc1ccc(\C=C\C(=O)Nc2cccc(Cl)c2)cc1
Oc1ccc(\C=C\C(=O)Nc2cccc(Br)c2)cc1
Clc1cccc(NC(=O)\C=C\c2cccc(c2)C#N)c1
Brc1cccc(NC(=O)\C=C\c2cccc(c2)C#N)c1
Clc1cccc(NC(=O)\C=C\c2ccc(cc2)C#N)c1
Brc1cccc(NC(=O)\C=C\c2ccc(cc2)C#N)c1
COc1ccc2oc(=O)c(cc2c1)-c1cccc(C)c1
COc1ccc2oc(=O)c(cc2c1)-c1ccc(C)cc1
Cc1ccc(cc1)-c1cc2cc(O)ccc2oc1=O
CC(=O)COc1ccc2oc(=O)c(cc2c1)-c1ccc(C)cc1
Cc1ccc(cc1)-c1cc2cc(OC3CCCC3)ccc2oc1=O
Cc1cccc(c1)-c1cc2cc(C)ccc2oc1=O
COc1ccc(cc1OC)-c1cc2cc(C)ccc2oc1=O
COc1ccc(cc1Br)-c1cc2cc(C)ccc2oc1=O
COc1cc(ccc1Br)-c1cc2cc(C)ccc2oc1=O
COc1cc(OC)c(Br)c(c1)-c1cc2cc(C)ccc2oc1=O
Cc1ccc2oc(=O)c(cc2c1)-c1cccc(O)c1
Cc1ccc2oc(=O)c(cc2c1)-c1ccccc1O
CC(=O)COc1cccc(c1)-c1cc2cc(C)ccc2oc1=O
C[C@H](Cc1ccccc1)N(CCF)CC#C |r|
C[C@H]([C@H](F)c1ccccc1)N(C)CC#C |r|
CN(CC#C)[C@H](CF)Cc1ccccc1 |r|
O=C1c2ccccc2C2=NCCc3cccc1c23 |t:9|
COc1cc2CCN=C3c4ccccc4C(=O)c(c1)c23 |t:7|
COc1cc2CCN=C3c4ccccc4C(=O)c(c1O)c23 |t:7|
O=C1c2ccccc2-c2nccc3cccc1c23
COc1cc2C(=O)c3ccccc3-c3nccc(c1)c23
COc1cc2ccnc3-c4ccccc4C(=O)c(c1O)c23
COC1=Cc2ccnc3c4ccccc4cc(C1=O)c23 |t:2|
COc1cc2CCN=C3C4=C(CCCC4)C(=O)c(c1)c23 |t:7,9|
COc1cc2CCNC3c4ccccc4C(O)c(c1)c23
Cc1cc2C(=O)c3ccc(OCc4cccc(Cl)c4)cc3-c2nn1
Cc1cccc(COc2ccc3C(=O)c4cc(C)nnc4-c3c2)c1
CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Cn1c(Sc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(SCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(SCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(SCCOc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(SCc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(SCc2ccc(F)cc2)nc2n(C)c(=O)n(C)c(=O)c12
CC(C)CCSc1nc2n(C)c(=O)n(C)c(=O)c2n1C
Cn1c(SC2CCCCC2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(SC2CCCC2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(Sc2ccc3ccccc3c2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(NCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(NCCCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(NCCc2ccccn2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(NCCc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
CN(CCc1ccccc1)c1nc2n(C)c(=O)n(C)c(=O)c2n1C
CN(CCCCc1ccccc1)c1nc2n(C)c(=O)n(C)c(=O)c2n1C
O=C1C=CC(=O)c2ccccc12 |c:2|
CC1=CC(=O)c2ccccc2C1=O
COc1ccc(cc1)-c1c(O)c2ccccc2oc1=O
COc1ccc(cc1)-c1c(O)c2cc(C)ccc2oc1=O
COc1ccc(cc1Cl)-c1c(O)c2ccccc2oc1=O
COc1ccc(cc1Cl)-c1c(O)c2cc(C)ccc2oc1=O
COc1ccc(cc1Cl)-c1c(O)c2cc(Cl)ccc2oc1=O
Fc1ccc(cc1)-c1csc(N=NCc2ccccc2)n1 |w:11.11|
Fc1ccc(cc1)-c1csc(N=NCc2ccc(Cl)cc2)n1 |w:11.11|
COc1ccc(CN=Nc2nc(cs2)-c2ccc(F)cc2)cc1OC |w:8.8|
COc1ccc(CN=Nc2nc(cs2)-c2ccc(F)cc2)cc1 |w:8.8|
Cc1ccccc1CN=Nc1nc(cs1)-c1ccc(F)cc1 |w:9.10|
Cc1ccc(CN=Nc2nc(cs2)-c2ccc(F)cc2)cc1 |w:7.7|
CC(NC1CC1c1ccccc1)c1ccc2OCCOc2c1
COc1ccc(cc1)C1CC1N
N[C@H]1C[C@@H]1c1cccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c1 |r|
N[C@@H]1C[C@H]1c1ccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)cc1 |r|
NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)cc1
CN1CCN(CC1)C(=O)CNC1CC1c1ccc(cc1)-c1cc(F)ccc1C(F)(F)F
Cn1ccc(c1)N1C[C@H](CO)OC1=O |r|
CCn1ccc(c1)N1C[C@H](CO)OC1=O |r|
OC[C@H]1CN(C(=O)O1)c1ccn(CC=C)c1 |r|
COC[C@H]1CN(C(=O)O1)c1ccn(C)c1 |r|
CCn1ccc(c1)N1C[C@H](COC)OC1=O |r|
COC[C@H]1CN(C(=O)O1)c1ccn(CC=C)c1 |r|
Cn1ccc(c1)N1C[C@H](CN=[N+]=[N-])OC1=O |r|
CCn1ccc(c1)N1C[C@H](CN=[N+]=[N-])OC1=O |r|
C=CCn1ccc(c1)N1C[C@H](CN=[N+]=[N-])OC1=O |r|
Cn1ccc(c1)N1C[C@H](CN)OC1=O |r|
CCn1ccc(c1)N1C[C@H](CN)OC1=O |r|
NC[C@H]1CN(C(=O)O1)c1ccn(CC=C)c1 |r|
CNC[C@H]1CN(C(=O)O1)c1ccn(C)c1 |r|
CCn1ccc(c1)N1C[C@H](CNC)OC1=O |r|
CNC[C@H]1CN(C(=O)O1)c1ccn(CC=C)c1 |r|
COC[C@H]1CN(C(=O)O1)c1ccc(OCC[C@@H](O)C(F)(F)F)cc1
C(Cc1ccccc1)N1CCC=CC1 |c:12|
Fc1ccc(CCN2CCC=CC2)cc1 |c:10|
COc1ccc(CCN2CCC=CC2)cc1 |c:11|
COc1ccc(CCN2CCC=CC2)cc1OC |c:11|
C(CN1CCC=CC1)Cc1ccccc1 |c:5|
Clc1ccc(CCN2CCC=CC2)c(Cl)c1 |c:10|
[O-][N+](=O)c1ccc(CCN2CCC=CC2)cc1 |c:12|
C(N1CCC=CC1)c1ccccc1 |c:4|
CC1=CCN(CCc2ccccc2)CC1 |t:1|
C(Cc1ccccc1)N1CCCCC1
Clc1ccc(OCCCN2CCC=CC2)c(Cl)c1 |c:12|
OC1=NC(=O)C(S1)=Cc1ccc(Br)cc1 |w:7.8,t:1|
CCOC1CC(=NN1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:5|
COc1ccc(NC(=O)N2CCc3ccccc23)cc1
Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)c1cccnc1 |w:14.16|
CN(C)c1ccc(\C=C2/Oc3ccccc3C2=O)cc1
Cc1ccc2C(=O)\C(Oc2c1)=C\c1ccccc1
CN(C)c1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1
Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccccc1O
Clc1ccc(\C=C2/Oc3ccccc3C2=O)cc1
O=c1ccoc2ccc(OCc3ccccc3)cc12
O=c1ccoc2ccc(OCCc3ccccc3)cc12
O=c1ccoc2ccc(OCCCc3ccccc3)cc12
Clc1cccc(COc2ccc3occc(=O)c3c2)c1
Clc1ccc(COc2ccc3occc(=O)c3c2)cc1
Brc1cccc(COc2ccc3occc(=O)c3c2)c1
Brc1ccc(COc2ccc3occc(=O)c3c2)cc1
Fc1cccc(COc2ccc3occc(=O)c3c2)c1
Fc1ccc(COc2ccc3occc(=O)c3c2)cc1
Cc1cccc(COc2ccc3occc(=O)c3c2)c1
Cc1ccc(COc2ccc3occc(=O)c3c2)cc1
O=c1ccoc2ccc(OCc3cccc(c3)C#N)cc12
O=c1ccoc2ccc(OCc3ccc(cc3)C#N)cc12
FC(F)(F)c1ccc(COc2ccc3occc(=O)c3c2)cc1
Brc1ccc(CCOc2ccc3occc(=O)c3c2)cc1
Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1cccc(NC(=O)c2ccccc2)c1
COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C
Cc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C
COc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C
Cc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C
Cc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(NC(=O)c2ccccc2)c1
Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccc(NC(=O)c2ccccc2)cc1
COc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Cc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccccc1F
COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1cccc(F)c1
COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(F)cc1
COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(F)c(F)c1
COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(F)cc1F
COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(cc1)C(F)(F)F
COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccccc1Br
COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1cccc(Br)c1
COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccccc1Cl
COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1cccc(Cl)c1
COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(Cl)cc1
COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(Cl)cc1Cl
COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1cc(Cl)c(Cl)cc1Cl
COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(Cl)c(Cl)c1
COc1cc(NC(C)CCC[NH3+])c2ncccc2c1
CC(C)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2C)cc1
Cc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1
CCS(=O)(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1
CC(C)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
CC(C)c1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)s1
Cc1c(C)c(=O)oc2cc(OCc3ccc(cc3)C(F)(F)F)ccc12
CCCCCS(=O)(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1
Cc1c(C)c(=O)oc2ccc(OS(=O)(=O)c3ccccc3)cc12
Cc1c(C)c(=O)oc2cc(OCc3ccccn3)ccc12
Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
Cc1c(C)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12
COc1ccc2c(C)c(C)c(=O)oc2c1
Cc1c(C)c(=O)oc2cc(OS(=O)(=O)c3ccc(Br)cc3)ccc12
Cc1c(C)c(=O)oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc12
CC(C)c1nc(COc2ccc3c(C)c(C)c(=O)oc3c2)cs1
Cc1c(C)c(=O)oc2cc(OS(=O)(=O)c3ccc(cc3)C#N)ccc12
Cc1c(C)c(=O)oc2cc(OCc3ccc(F)cc3)ccc12
Cc1c(C)c(=O)oc2cc(OS(C)(=O)=O)ccc12
CCCCCCCCS(=O)(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1
Cc1c(C)c(=O)oc2cc(O)ccc12
CC(C)c1ccc(cc1)C(C)Oc1ccc2c(C)c(C)c(=O)oc2c1
Cc1c(C)c(=O)oc2cc(OCc3cc(on3)C3CC3)ccc12
CC(C)c1noc(COc2ccc3c(C)c(C)c(=O)oc3c2)n1
Cc1c(C)c(=O)oc2cc(OS(=O)(=O)c3ccccc3)ccc12
COC[C@@H](O)COc1ccc(OCc2cccc(c2)C(F)(F)F)cc1C(C)=O |r|
OCc1cc(OCc2cccc(Cl)c2)ccc1OCC#N
COc1cc(COc2ccc(OCCCC#N)c(c2)C(C)=O)cc(OC)c1
Clc1cccc(COc2ccc(OCCCC#N)c(C=O)c2)c1
CC(=O)c1cc(OCCCC#N)ccc1OCc1ccc(Cl)c(Cl)c1
CC(=O)c1cc(OCc2ccc(C)c(C)c2)ccc1OCCCC#N
COC[C@@H](COc1ccc(OCc2cccc(c2)C(F)(F)F)cc1C(C)=O)OC(C)=O |r|
CC(=O)c1cc(OCc2cccc(F)c2)ccc1OCCCO
COC(=O)c1cc(OCc2cccc(Cl)c2)ccc1OCCCCC#N
CC(=O)c1cc(OCc2ccccc2)ccc1OCCCC#N
COCc1cc(OCc2cccc(Cl)c2)ccc1OCCCC#N
CC(=O)c1cc(OCc2cccc(Cl)c2)ccc1OCCCC#N
COCC(O)COc1ccc(OCc2cccc(F)c2)cc1C(C)=O
COC[C@H](O)COc1ccc(OCc2cccc(Cl)c2)cc1C(C)=O |r|
CC(=O)c1cc(OCc2cccc(Cl)c2)ccc1OCCCO
CCC(=O)c1cc(OCc2cccc(Cl)c2)ccc1OCCCC#N
COc1cccc(COc2ccc(OCCCC#N)c(c2)C(C)=O)c1
CC(=O)c1cc(OCc2cccc(c2)C(F)(F)F)ccc1OCCCO
COCC(O)COc1ccc(OCc2cccc(c2)C(F)(F)F)cc1C(C)=O
COC[C@H](O)COc1ccc(OCc2cccc(Cl)c2)cc1 |r|
CC(=O)c1cc(OCc2ccc(Cl)c(Cl)c2)ccc1OCCCC#N
CCC(=O)c1cc(OCc2cccc(F)c2)ccc1OCCCC#N
Clc1cccc(COc2ccc(OCCCC#N)cc2)c1
Clc1cccc(COc2ccc(OCC#N)c(C=O)c2)c1
COC(=O)c1cc(OCc2cccc(Cl)c2)ccc1OCC#N
CC(=O)c1cc(OCc2cccc(c2)C(F)(F)F)ccc1OCCCC#N
COC[C@@H](COc1ccc(OCc2cccc(c2)C(F)(F)F)cc1C(C)=O)OC(=O)OC |r|
COC[C@H](COc1ccc(OCc2cccc(c2)C(F)(F)F)cc1C(C)=O)OC(C)=O |r|
CC(=O)c1cc(OCc2cccc(Cl)c2)ccc1OCCCCC#N
COCC(O)COc1ccc(OCc2cccc(Cl)c2)cc1C(C)=O
CC(=O)c1cc(OCc2cccc(C)c2)ccc1OCCCC#N
CC(=O)c1cc(OCCCC#N)ccc1OCc1cccc(Cl)c1
COC[C@H](O)COc1ccc(OCc2cccc(c2)C(F)(F)F)cc1C(C)=O |r|
CC(=O)c1cc(OCc2cccc(F)c2)ccc1OCCCC#N
COC(=O)c1cc(OCc2cccc(Cl)c2)ccc1OCCCC#N
OCc1cc(OCc2cccc(Cl)c2)ccc1OCCCC#N
COC[C@H](COc1ccc(OCc2cccc(c2)C(F)(F)F)cc1C(C)=O)OC(=O)OC |r|
CN1C(Cc2ccccc2N=C1C)c1ccccc1 |c:11|
CC=[C@@]=CCN(C)CCc1ccccc1 |r,wU:1.0,(-26.83,4.06,;-26.06,5.39,;-24.52,5.39,;-22.98,5.39,;-22.21,4.06,;-20.67,4.06,;-19.9,5.41,;-19.9,2.73,;-18.36,2.75,;-17.59,1.41,;-16.05,1.43,;-15.27,.1,;-16.04,-1.25,;-17.58,-1.25,;-18.35,.08,)|
C[C@@H](N)Cc1ccccc1 |r|
CN[C@H](C)Cc1ccccc1 |r|
CC=C=CCN(C)C |(-6.98,-2.69,;-5.86,-3.6,;-4.32,-3.6,;-2.78,-3.6,;-1.69,-4.69,;-.15,-4.69,;.62,-6.03,;.62,-3.36,)|
CC=[C@@]=CCN(C)[C@@H](C)c1ccccc1 |r,wU:1.0,wD:7.6,(-11.08,4.31,;-10.69,2.82,;-9.2,2.42,;-7.71,2.02,;-6.62,.94,;-5.08,.94,;-4.31,2.27,;-4.31,-.4,;-5.08,-1.73,;-2.77,-.4,;-2,-1.73,;-.46,-1.73,;.31,-.4,;-.46,.94,;-2,.94,)|
CC=C=CCN(C)[C@H]1CCCc2ccccc12 |r,wU:7.6,(16.6,-3.67,;17.37,-2.34,;18.91,-2.34,;20.45,-2.34,;21.22,-3.67,;22.76,-3.67,;23.53,-2.32,;23.53,-5,;25.07,-4.98,;25.84,-6.33,;25.07,-7.67,;23.53,-7.67,;22.78,-8.99,;21.24,-9.02,;20.45,-7.68,;21.22,-6.33,;22.76,-6.33,)|
CC=C=CCN(C)C(C)c1ccccc1 |(7.39,-7.52,;8.16,-6.2,;9.7,-6.2,;11.24,-6.2,;12.01,-7.52,;13.55,-7.52,;14.32,-6.19,;14.32,-8.87,;13.55,-10.2,;15.86,-8.85,;16.63,-10.18,;18.17,-10.18,;18.93,-8.83,;18.14,-7.51,;16.6,-7.52,)|
C[C@@H](Cc1ccccc1)N
CC=C=CCN(C)[C@@H]1CCCc2ccccc12 |r,wD:7.6,(16.6,-3.67,;17.37,-2.34,;18.91,-2.34,;20.45,-2.34,;21.22,-3.67,;22.76,-3.67,;23.53,-2.32,;23.53,-5,;25.07,-4.98,;25.84,-6.33,;25.07,-7.67,;23.53,-7.67,;22.78,-8.99,;21.24,-9.02,;20.45,-7.68,;21.22,-6.33,;22.76,-6.33,)|
OC(=O)C(O)=O.CC=C=CCN(C)Cc1ccccc1 |(21.28,-8.31,;19.74,-8.31,;18.97,-6.98,;18.97,-9.64,;17.43,-9.64,;19.74,-10.98,;19.44,-4.47,;18.11,-3.7,;16.61,-4.07,;15.12,-4.46,;13.79,-3.65,;12.45,-4.41,;11.12,-3.62,;12.42,-5.95,;11.08,-6.7,;9.76,-5.91,;8.41,-6.66,;8.39,-8.2,;9.72,-8.99,;11.05,-8.23,)|
CC=[C@]=CCNC[C@H](C)c1ccccc1 |r,wD:1.0,7.7,(-7.91,2.68,;-6.82,1.6,;-5.28,1.6,;-3.74,1.6,;-2.65,.51,;-1.11,.51,;-.34,-.83,;1.2,-.83,;1.97,.51,;1.97,-2.16,;1.2,-3.49,;1.97,-4.83,;3.51,-4.83,;4.28,-3.49,;3.51,-2.16,)|
CC=C=CCN(C)C[C@@H](C)c1ccccc1 |r,w:1.0,wU:8.8,(-7.91,2.68,;-6.82,1.6,;-5.28,1.6,;-3.74,1.6,;-2.65,.51,;-1.11,.51,;-.34,1.84,;-.34,-.83,;1.2,-.83,;1.97,.51,;1.97,-2.16,;1.2,-3.49,;1.97,-4.83,;3.51,-4.83,;4.28,-3.49,;3.51,-2.16,)|
CC=C=CCN(C)C[C@H](C)c1ccccc1 |r,w:1.0,wD:8.8,(-7.91,2.68,;-6.82,1.6,;-5.28,1.6,;-3.74,1.6,;-2.65,.51,;-1.11,.51,;-.34,1.84,;-.34,-.83,;1.2,-.83,;1.97,.51,;1.97,-2.16,;1.2,-3.49,;1.97,-4.83,;3.51,-4.83,;4.28,-3.49,;3.51,-2.16,)|
CN[C@@H](C)c1ccccc1 |r|
C[C@@H](Cc1ccccc1)NC
C[C@@H](c1ccccc1)N
C[C@H](c1ccccc1)N
CN[C@H](C)c1ccccc1 |r|
c1ccc2c(c1)CCC[C@H]2N
CN[C@@H]1CCCc2ccccc12
CN[C@H]1CCCc2ccccc12
c1ccc2c(c1)CCC[C@@H]2N
COc1ccc2C=[N+](C)CCc2c1 |t:6|
C[N+]1=Cc2ccccc2CC1 |t:1|
COc1cc2CCN(C)Cc2cc1OC
c1ccc2c(c1)CCNC2
COc1cc2CCN(C)[C@@H](C)c2cc1OC |r|
COc1c2CCN(C)Cc2c(OC)c(OC)c1OC
COc1cc2[C@H](C)N(C)CCc2cc1O
COc1c2CCNCc2c(OC)c(OC)c1OC
CN1CCc2ccccc2C1
CCC(CC)N(C)CC#C
CCC(C)N(C)CC#C
CCCCN(C)CC#C
CCCCCCCN(C)CC#C
CN(CCCCCCO)CC#C
CCCCCN(C)CC#C
CCCCCC(C)N(C)CC#C
CC(C)N(C)CC#C
CCCCCCCCC(C)N(C)CC#C
CCCCCCCCCCC(C)N(C)CC#C
CC(CCCCO)N(C)CC#C
CCCC(C)N(C)CC#C
CCCCC(C)N(C)CC#C
COc1ccc(cc1)N1CC(CN)OC1=O
[NH3+]C[C@@H]1C[C@@H](C(=O)O1)c1ccccc1
COc1ccc(cc1)[C@H]1C[C@@H](C[NH3+])OC1=O
COc1ccc(cc1)[C@@H]1C[C@@H](C[NH3+])OC1=O
[NH3+]C[C@@H]1C[C@H](C(=O)O1)c1ccccc1
COc1ccc(cc1)N1CC(CN(C)C)OC1=O
COc1ccc(cc1)[C@H]1C[C@@H](CN(C)C)OC1=O |r|
CNCC1CN(C(=O)O1)c1ccc(OC)cc1
COc1ccc(cc1)N1CC(CN)CC1=O
COc1ccc(cc1)C1CC(CN)OC1=O
NCC1CN(C(=O)O1)c1ccc(OCc2cccc(Cl)c2)cc1
CN(C)CC1CN(C(=O)O1)c1ccc(OCc2cccc(Cl)c2)cc1
COc1ccc(cc1)N1CC(CN(C)C)CC1=O
CNCC1CN(C(=O)C1)c1ccc(OC)cc1
CNCC1CN(C(=O)O1)c1ccc(OCc2cccc(Cl)c2)cc1
Clc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)c1
Clc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=O)o2)c1
COc1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)cc1
CC(Cn1nc(oc1=O)-c1ccc(OCc2ccccc2)cc1)C#N
CC(C#N)n1nc(oc1=O)-c1ccc(OCc2ccccc2)cc1
COc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=O)o2)c1
COc1cccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)c1 |t:16|
Cc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=O)o2)c1
Clc1cccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)c1 |t:15|
S=C1COC(=NN1CCC#N)c1ccc(OCc2ccccc2)cc1 |c:4|
COc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)c1
Clc1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)cc1
[O-][N+](=O)c1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=O)o2)cc1
O=c1oc(nn1CCCC#N)-c1ccc(OCc2ccccc2)cc1
[O-][N+](=O)c1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)cc1
Cc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)c1
[O-][N+](=O)c1ccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)cc1 |t:16|
Cc1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=O)o2)cc1
COc1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=O)o2)cc1
Clc1ccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)cc1 |t:14|
O=c1oc(nn1CC#N)-c1ccc(OCc2ccccc2)cc1
Cc1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)cc1
Cc1cccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)c1 |t:15|
O=C1COC(=NN1CCC#N)c1ccc(OCc2ccccc2)cc1 |c:4|
COc1ccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)cc1 |t:15|
Cc1ccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)cc1 |t:14|
O=c1oc(nn1CCCCC#N)-c1ccc(OCc2ccccc2)cc1
Clc1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=O)o2)cc1
CNC(=O)c1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C(=O)NC
CC(=O)c1ccc2c(Oc3ccc(cc3S2(=O)=O)C(C)=O)c1
O=S1(=O)c2ccccc2Oc2cc(ccc12)C#N
CNC(=O)c1ccc2C(O)c3ccccc3S(=O)(=O)c2c1
CNC(=O)c1ccc2c(Oc3ccccc3S2(=O)=O)c1
OC[C@H]1CN(C(=O)O1)n1cccc1
COC[C@@H]1CN(C(=O)O1)c1ccc(OCC[C@H](O)C(F)(F)F)cc1
[N-]=[N+]=NC[C@H]1CN(C(=O)O1)n1cccc1
[N-]=[N+]=NC[C@@H]1CN(C(=O)O1)n1cccc1
NC[C@H]1CN(C(=O)O1)n1cccc1
OC[C@H]1CN(C(=O)O1)n1cccc1 |r|
OC[C@@H]1CN(C(=O)O1)n1cccc1
NC[C@@H]1CN(C(=O)O1)n1cccc1
CN(C)C[C@H]1CN(C(=O)O1)n1cccc1
COC[C@@H]1CN(C(=O)O1)n1cccc1
COC[C@H]1CN(C(=O)O1)n1cccc1
NNC(=O)C1(CC1F)c1ccccc1
NCC1(CC1F)c1ccccc1
NNC(N)=O
[NH3+][C@H]1C[C@@H]1c1ccccc1
NC[C@H]1C[C@@H]1c1ccccc1 |r|
COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1O |c:11|
COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1 |c:11|
CC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(O)cc1O |c:4|
CC(=O)N1N=C(CC1c1cccc(Cl)c1)c1ccc(O)cc1 |c:4|
COc1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(O)cc1 |c:11|
CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(O)cc1 |c:4|
CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccc(O)cc1 |c:4|
CC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(O)cc1 |c:4|
COc1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(O)cc1O |c:11|
COc1ccc(C2CC(=NN2C(C)=O)c2ccc(O)cc2)c(OC)c1 |c:8|
CC(=O)N1N=C(CC1c1ccccc1Cl)c1ccc(O)cc1 |c:4|
CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(O)cc1O |c:4|
CCOc1cncc(OCc2ccccc2)c1CN
CCNc1cnccc1CN
CCNc1ccccc1CN
CNc1ccccc1CN
NCc1ccncc1N(C1CCCC1)C1CCCC1
CC(C)Nc1cnccc1CN
NCc1ccncc1NC1CCCCC1
CCNc1cncc(N(C)CC)c1CN
CCOc1cncc(OCC)c1CN
NCc1ccncc1NCC1CCCCC1
NCc1c(OCCCCO)cncc1OCCCCO
CCCNc1cncc(N(C)CCC)c1CN
NCc1ccncc1NC1CCCCCC1
NCc1ccncc1NC1CCCC1
CNc1cncc(N(C)C)c1CN
CNc1cncc(NC)c1CN
CC(C)(C)Sc1cncc(SC(C)(C)C)c1CN
NCc1ccncc1NC1CC1
NCc1ccncc1N
CNc1cnccc1CN
NCc1c(OCCO)cncc1OCCO
CCSc1cncc(SCC)c1CN
NNC\C(=C\F)c1ccccc1
NNCC(=C)c1ccc(F)cc1
NNCC(=C)c1ccccc1
Cc1ccccc1C(=C)CNN
NNCC(=C)c1ccc(Cl)cc1
CCCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(Cl)cc1 |c:7|
CCCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(OC)cc1 |c:7|
CNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(OC)cc1 |c:5|
CNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(Cl)cc1 |c:5|
CCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(C)cc1 |c:6|
COc1ccc(cc1)C1=NN(C(C1)c1ccc[nH]1)C(=S)Nc1ccccc1 |t:9|
CNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(C)cc1 |c:5|
Cc1ccc(cc1)C1=NN(C(C1)c1ccc[nH]1)C(=S)Nc1ccccc1 |t:8|
CCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(Cl)cc1 |c:6|
CCCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(C)cc1 |c:7|
CCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(OC)cc1 |c:6|
CN(CC#C)Cc1ccnc2c(O)cccc12
Oc1cccc2c(CN3CCN(CC#C)CC3)ccnc12
Oc1cccc2c(CNCC#C)ccnc12
Cc1c(C)c(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CCCN(C)C(=O)Oc1cc2[C@@H](CCc2cc1Cl)NCC#C
c1ccc(cc1)C#Cc2ccc(o2)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN
CC(N)Cc1cccc2ccccc12
CC(N)Cc1ccc2ccccc2c1
COc1ccc2cc(CC(C)N)ccc2c1
CCOc1ccc2cc(CC(C)N)ccc2c1
CCCOc1ccc2cc(CC(C)N)ccc2c1
CC(N)Cc1ccc2cc(OCc3ccccc3)ccc2c1
COc1ccc2cc(CC(C)NCc3ccccc3)ccc2c1
CCCCOc1ccc2cc(CC(C)NCc3ccccc3)ccc2c1
CCOc1ccc(CC(C)N)cc1
CCCOc1ccc(CC(C)N)cc1
CCCCOc1ccc(CC(C)N)cc1
CC(N)Cc1ccc(OCc2ccccc2)cc1
CSc1ccc(CC(C)NCc2ccccc2)cc1
CSc1ccc(CC(C)NCc2ccc(O)cc2)cc1
C(Oc1ccc(cc1)C1CNCCS1)c1ccccc1
O=C1CSC(CN1)c1ccc(OCc2ccccc2)cc1
CCCCOc1ccc(cc1)C1CNC(=O)CS1
COc1ccc(cc1)C1CNCCS1
CCCOc1ccc(cc1)C1CNCCS1
CCCCOc1ccc(cc1)C1CNCCS1
CCCOc1ccc(cc1)C1CNC(=O)CS1
C1CSC(CN1)c1ccccc1
CCOc1ccc(cc1)C1CNCCS1
CCOc1ccc(cc1)C1CNC(=O)CS1
O=C1CSC(CN1)c1ccccc1
COc1ccc(cc1)C1CNC(=O)CS1
CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1
CC1(COc2ccc(Cc3sc(=O)[nH]c3O)cc2)CCCCC1
CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
c1cc2c(cc1C=C3C(=O)NC(=O)S3)nccn2
COc1ccccc1\C=C1/SC(=O)N(CCN)C1=O
O=C1S\C(=C/c2ccccc2)C(=O)N1CCC#N
OC(=O)c1cccc(c1)\N=C1/SC(=O)NC1=O
Oc1[nH]c(=O)sc1CC(=O)Nc1ccccc1
Oc1[nH]c(=O)sc1CC(=O)Nc1cccc(O)c1
[#8-]-[#7+](=O)-c1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)n1
N#Cc1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
[#8-]-[#7+](=O)-c1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
[#6]-[#8]-c1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
[#6]-c1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
Fc1ccc(-c2csc(-[#7]\[#7]=[#6]-3/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-3)n2)c(F)c1
Clc1ccc(-c2csc(-[#7]\[#7]=[#6]-3/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-3)n2)c(Cl)c1
Fc1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
Clc1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
[#6]-1-[#6]-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#7]-c1nc(cs1)-c1ccccc1
[#6]-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#7]-c1nc(cs1)-c1ccc(cc1)C#N
[#6]-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#7]-c1nc(cs1)-c1ccc(cc1)-[#7+](-[#8-])=O
[#6]-[#8]-c1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6](-[#6])-[#6]-[#6]-2)n1
[#6]-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#7]-c1nc(cs1)-c1ccc(-[#6])cc1
[#6]-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#7]-c1nc(cs1)-c1ccc(F)cc1F
[#6]-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#7]-c1nc(cs1)-c1ccc(Cl)cc1Cl
[#6]-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#7]-c1nc(cs1)-c1ccc(F)cc1
[#6]-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#7]-c1nc(cs1)-c1ccc(Cl)cc1
N#Cc1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
[#8-]-[#7+](=O)-c1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
[#6]-[#8]-c1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
[#6]-c1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
Fc1ccc(-c2csc(-[#7]\[#7]=[#6]-3/[#6]-[#6]-[#6]-[#6]-[#6]-3)n2)c(F)c1
Clc1ccc(-c2csc(-[#7]\[#7]=[#6]-3/[#6]-[#6]-[#6]-[#6]-[#6]-3)n2)c(Cl)c1
Clc1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
Fc1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
N#Cc1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)n1
[#6]-[#8]-c1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-2)n1
[#6]-c1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)n1
Fc1ccc(-c2csc(-[#7]\[#7]=[#6]-3/[#6]-[#6]-[#6]-[#6]-3)n2)c(F)c1
Clc1ccc(-c2csc(-[#7]\[#7]=[#6]-3/[#6]-[#6]-[#6]-[#6]-3)n2)c(Cl)c1
Fc1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)n1
Clc1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)n1
CC(N=Nc1nc2ccccc2nc1Cc1ccccc1)c1ccccc1 |w:3.3|
CC(N=Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc(O)cc1 |w:3.3|
CC(N=Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O |w:3.3|
Oc1ccc(CN=Nc2nc3ccccc3nc2Cc2ccccc2)cc1 |w:7.7|
CN(C)c1ccc(CN=Nc2nc3ccccc3nc2Cc2ccccc2)cc1 |w:9.9|
CC(N=Nc1nc2ccccc2nc1Cc1ccccc1)c1ccccn1 |w:3.3|
CC(N=Nc1nc2ccccc2nc1Cc1ccccc1)c1cccs1 |w:3.3|
CC(N=Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc(C)cc1 |w:3.3|
CC(N=Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc(N)cc1 |w:3.3|
[O-][N+](=O)c1ccc(CN=Nc2nc3ccccc3nc2Cc2ccccc2)cc1 |w:9.9|
Brc1cccc(CN=Nc2nc3ccccc3nc2Cc2ccccc2)c1 |w:8.8|
Cc1ccsc1CN=Nc1nc2ccccc2nc1Cc1ccccc1 |w:8.9|
CN=Nc1nc2ccccc2nc1Cc1ccccc1 |w:1.0|
C(c1ccccc1)c1nc2ccccc2n2c(nnc12)-c1ccccc1
Clc1ccccc1-c1nnc2c(Cc3ccccc3)nc3ccccc3n12
COc1ccc(cc1OC)-c1nnc2c(nc3ccccc3n12)C(=O)c1ccccc1
O=C(c1ccccc1)c1nc2ccccc2n2c(nnc12)-c1ccccc1
Clc1ccccc1-c1nnc2c(nc3ccccc3n12)C(=O)c1ccccc1
COc1ccc(cc1)-c1nnc2c(nc3ccccc3n12)C(=O)c1ccccc1
CN(C)c1ccc(cc1)-c1nnc2c(nc3ccccc3n12)C(=O)c1ccccc1
CN(C)c1ccc(cc1Br)-c1nnc2c(nc3ccccc3n12)C(=O)c1ccccc1
[O-][N+](=O)c1ccc(cc1)-c1nnc2c(nc3ccccc3n12)C(=O)c1ccccc1
O=C(c1ccccc1)c1nc2ccccc2n2cnnc12
C(c1ccccc1)c1nc2ccccc2n2cnnc12
COc1ccccc1CN=Nc1nc2ccccc2nc1Cc1ccccc1 |w:10.11|
COc1ccc(CN=Nc2nc3ccccc3nc2Cc2ccccc2)cc1OC |w:8.8|
C(N=Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc2OCOc2c1 |w:2.2|
COc1cc(cc(OC)c1OC)C(C)N=Nc1nc2ccccc2nc1Cc1ccccc1 |w:15.16|
COc1ccc(cc1)C(C)N=Nc1nc2ccccc2nc1Cc1ccccc1 |w:11.12|
C(N=Nc1nc2ccccc2nc1Cc1ccccc1)c1ccccc1 |w:2.2|
Clc1ccc(CN=Nc2nc3ccccc3nc2Cc2ccccc2)cc1 |w:7.7|
Clc1ccccc1CN=Nc1nc2ccccc2nc1Cc1ccccc1 |w:9.10|
COc1ccc(CN=Nc2nc3ccccc3nc2Cc2ccccc2)cc1 |w:8.8|
c1ccc2c(c1)c(no2)CS(=O)(=O)N
CC(C)(C)c1cc(Cc2sc(=O)[nH]c2O)cc(c1O)C(C)(C)C
Cc1cc(Cc2sc(=O)[nH]c2O)cc(C)c1O
Oc1[nH]c(=O)sc1Cc1ccc(O)cc1
OC1=NC(=O)C(S1)=CC(=O)Nc1cccc(O)c1 |w:7.8,t:1|
OC(=O)CCN1C(=S)S\C(=C\c2ccccc2)C1=O
COc1cc(C=C2SC(S)=NC2=O)ccc1O |w:5.4,c:9|
Nc1nc(O)c(Cc2ccccc2)s1
COc1cc(C=C2SC(S)=NC2=O)c(OC)cc1O |w:5.4,c:9|
OC1=NC(=O)C(S1)=Cc1cc(Br)c(O)c(Br)c1 |w:7.8,t:1|
CC(=O)c1ccc(Cc2sc(N)nc2O)cc1
OC(=O)C(Cc1ccc(O)cc1)n1c(O)csc1=S
OC(=O)c1ccc(cc1)\N=C1\SC(=O)NC1=O
OC1=NC(=O)C(S1)=CC(=O)Nc1ccccc1 |w:7.8,t:1|
CN1C(=S)S\C(=C\c2ccccc2)C1=O
OC1=NC(=O)C(S1)=Cc1cccc(Br)c1 |w:7.8,t:1|
CN1C(=S)S\C(=C\c2ccc(Cl)cc2)C1=O
CCCN1C(=S)S\C(=C\c2ccncc2)C1=O
CCN(CC)C(=O)\C=C\C=C\c1ccc2OCOc2c1
OC(=O)\C=C\C=C\c1ccc2OCOc2c1
CCCNC(=O)\C=C\C=C\c1ccc2OCOc2c1
CCCCNC(=O)\C=C\C=C\c1ccc2OCOc2c1
CN1CCN(CC1)C(=O)\C=C\C=C\c1ccc2OCOc2c1
CC(=O)Oc1ccc(\C=C\C=C\C(=O)N2CCCCC2)cc1OC(C)=O
C(\C=C\C=C\c1ccc2OCOc2c1)N1CCCCC1
CCOC(=O)\C=C\C=C\c1ccc2OCOc2c1
O=C(C1C=CC(C(\C=C\c2ccc3OCOc3c2)C1C(=O)N1CCCCC1)c1ccc2OCOc2c1)N1CCCCC1 |c:3|
O=C(CCCCc1ccc2OCOc2c1)N1CCCCC1
CCCNC(=O)CCCCc1ccc2OCOc2c1
CCCCNC(=O)CCCCc1ccc2OCOc2c1
CCN(CC)C(=O)CCCCc1ccc2OCOc2c1
CN1CCN(CC1)C(=O)CCCCc1ccc2OCOc2c1
COC(=O)CCCCc1ccc2OCOc2c1
CCOC(=O)CCCCc1ccc2OCOc2c1
Nc1c2CN(CC#C)CCc2nc2nc(N3CCCCC3)c(cc12)C#N
CNCc1cc2cc(OCc3ccccc3)ccc2n1C
CC#CCN(C)Cc1cc2cc(OCc3ccccc3)ccc2n1C
CN(CC=C=C)Cc1cc2cc(OCc3ccccc3)ccc2n1C
C#CC[NH2+]Cc1cc2cc(OCc3ccccc3)ccc2[nH]1
CN(CC#C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1
CC#CCN(C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1
Nc1c2CN(CC#C)CCc2nc2nc(Cl)c(cc12)C#N
COc1nc2nc3CCN(CC#C)Cc3c(N)c2cc1C#N
CN(C)c1nc2nc3CCN(CC#C)Cc3c(N)c2cc1C#N
Nc1c2CN(CC#C)CCc2nc2nc(N3CCCC3)c(cc12)C#N
Nc1c2CN(CC#C)CCc2nc2ccccc12
NC\C=C(\F)COc1ccc(Oc2ccccc2)cc1
CN(Cc1ccccc1)C(=O)c1ccc(OC\C(F)=C/CN)cc1
NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCC1
NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCCC1
NC\C=C(\F)COc1ccc(cc1)C(=O)NCc1ccccc1
CC(NC(=O)c1ccc(OC\C(F)=C/CN)cc1)c1ccccc1
C[C@@H](NC(=O)c1ccc(OC\C(F)=C/CN)cc1)c1ccccc1 |r|
C[C@H](NC(=O)c1ccc(OC\C(F)=C/CN)cc1)c1ccccc1 |r|
NC\C=C(\F)COc1ccccc1
COc1ccc(OC\C(F)=C/CN)cc1
NC\C=C(\F)COc1cccc(Cl)c1
CSc1ccc(OC\C(F)=C/CN)cc1
CC(C)(C)c1ccc(OC\C(F)=C/CN)cc1
NC\C=C(\F)COc1ccc(OC(F)(F)F)cc1
NC\C=C(\F)COc1ccc(cc1)[N+]([O-])=O
NC\C=C(\F)COc1ccc(F)c(F)c1
NC\C=C(\F)COc1ccc(cc1)C(F)(F)F
NC\C=C(\F)COc1cccc(c1)C(F)(F)F
NC\C=C(\F)COc1ccc(cc1)C(N)=O
CN(C)C(=O)c1ccc(OC\C(F)=C/CN)cc1
NC\C=C(\F)COc1ccc(cc1)C(=O)N1CCCC1
CCCN1CCC(CC1)c1ccc(cc1)C(F)(F)F
CCCN1CCC(CC1)c1ccc(cc1)N1CCOCC1
CCCN1CCC(CC1)c1ccc(OC)cc1
CCCCOc1ccc(cc1)C1CCN(CCC)CC1
CCCN1CCC(CC1)c1ccc(cc1)S(C)(=O)=O
CCCN1CCN(CC1)c1ccc(OC)cc1
CCCN1CCN(CC1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1
CCCN1CCC(CC1)c1ccc(Cl)cc1
CCCN1CCC(CC1)c1ccc(cc1)C#N
CNC1=NC(=Cc2c[nH]c3ccc(Br)cc23)C(=O)N1 |w:5.5,t:2|
C\N=C1/NC(=O)\C(=C/c2c[nH]c3cc(Br)ccc23)N1C
CNC1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1 |w:5.5,t:2|
CSC1=NC(=O)C(N1)=Cc1c[nH]c2cccc(Br)c12 |w:8.9,t:2|
Brc1cccc2c(\C=C3/NC(=S)NC3=O)c[nH]c12
Brc1cccc2[nH]cc(\C=C3/NC(=S)NC3=O)c12
CNC1=NC(=Cc2c[nH]c3c(Br)cccc23)C(=O)N1C |w:5.5,t:2|
CNC1=NC(=Cc2c[nH]c3c(Br)cccc23)C(=O)N1 |w:5.5,t:2|
CNC1=NC(=Cc2c[nH]c3cc(Br)ccc23)C(=O)N1 |w:5.5,t:2|
CNC1=NC(=Cc2c[nH]c3cccc(Br)c23)C(=O)N1 |w:5.5,t:2|
CSC1=NC(=O)C(N1)=Cc1c[nH]c2c(Br)cccc12 |w:8.9,t:2|
CSC1=NC(=O)C(N1)=Cc1c[nH]c2cc(Br)ccc12 |w:8.9,t:2|
CSC1=NC(=O)C(N1)=Cc1c[nH]c2ccc(Br)cc12 |w:8.9,t:2|
CSC1=N\C(=C/c2c[nH]c3ccccc23)C(=O)N1 |t:2|
CN1C(=N)NC(=O)\C1=C/c1c[nH]c2cccc(Br)c12
CN1C(=N)NC(=O)\C1=C/c1c[nH]c2ccc(Br)cc12
CN1C(=N)NC(=O)\C1=C/c1c[nH]c2cc(Br)ccc12
CN1C(=N)NC(=O)\C1=C/c1c[nH]c2c(Br)cccc12
NC1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1 |w:4.4,t:1|
NC1=NC(=Cc2c[nH]c3cccc(Br)c23)C(=O)N1 |w:4.4,t:1|
Brc1ccc2c(\C=C3/NC(=S)NC3=O)c[nH]c2c1
Brc1ccc2[nH]cc(\C=C3/NC(=S)NC3=O)c2c1
O=C1NC(=S)NC1=Cc1c[nH]c2ccccc12 |w:7.8|
C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3c(Br)cccc23)N1C
C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3cc(Br)ccc23)N1C
C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3ccc(Br)cc23)N1C
C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3cccc(Br)c23)N1C
C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3ccccc23)N1C
CNC1=NC(=Cc2c[nH]c3cc(Br)ccc23)C(=O)N1C |w:5.5,t:2|
CNC1=NC(=Cc2c[nH]c3ccc(Br)cc23)C(=O)N1C |w:5.5,t:2|
CNC1=NC(=Cc2c[nH]c3cccc(Br)c23)C(=O)N1C |w:5.5,t:2|
CNC1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1C |w:5.5,t:2|
CN1C(=N)N(C)\C(=C\c2c[nH]c3c(Br)cccc23)C1=O
CN1C(=N)N(C)\C(=C\c2c[nH]c3ccc(Br)cc23)C1=O
CN1C(=N)N(C)\C(=C\c2c[nH]c3cc(Br)ccc23)C1=O
CN1C(=N)N(C)\C(=C\c2c[nH]c3cccc(Br)c23)C1=O
CN1C(=N)N(C)\C(=C\c2c[nH]c3ccccc23)C1=O
C\N=C1/NC(=O)\C(=C/c2c[nH]c3c(Br)cccc23)N1C
C\N=C1/NC(=O)\C(=C/c2c[nH]c3ccc(Br)cc23)N1C
C\N=C1/NC(=O)\C(=C/c2c[nH]c3cccc(Br)c23)N1C
C\N=C1/NC(=O)\C(=C/c2c[nH]c3ccccc23)N1C
CN1C(N)=NC(=Cc2c[nH]c3c(Br)cccc23)C1=O |w:6.6,c:3|
CN1C(N)=NC(=Cc2c[nH]c3ccc(Br)cc23)C1=O |w:6.6,c:3|
CN1C(N)=NC(=Cc2c[nH]c3cc(Br)ccc23)C1=O |w:6.6,c:3|
CN1C(N)=NC(=Cc2c[nH]c3cccc(Br)c23)C1=O |w:6.6,c:3|
CN1C(N)=NC(=Cc2c[nH]c3ccccc23)C1=O |w:6.6,c:3|
CN1C(=N)NC(=O)\C1=C/c1c[nH]c2ccccc12
NC1=NC(=Cc2c[nH]c3c(Br)cccc23)C(=O)N1 |w:4.4,t:1|
NC1=NC(=Cc2c[nH]c3cc(Br)ccc23)C(=O)N1 |w:4.4,t:1|
NC1=NC(=Cc2c[nH]c3ccc(Br)cc23)C(=O)N1 |w:4.4,t:1|
OC(=O)c1coc2ccc(OCc3cccc(Br)c3)cc2c1=O
O=c1ccoc2ccccc12
Brc1cccc(COc2ccc3occ(C=O)c(=O)c3c2)c1
COC(=O)c1coc2ccc(OCc3cccc(Br)c3)cc2c1=O
O=Cc1coc2ccccc2c1=O
CC(=O)c1c(O)cccc1OCc1ccc(Br)cc1
CC(=O)c1cc(OCc2cccc(Br)c2)ccc1O
CC(=O)c1cc(OCc2ccc(Br)cc2)ccc1O
CC(=O)c1ccc(OCc2cccc(Br)c2)cc1O
CC(=O)c1ccc(OCc2ccc(Br)cc2)cc1O
O=c1ccoc2cccc(OCc3ccccc3)c12
Brc1ccc(COc2cccc3occc(=O)c23)cc1
OC1CC(=O)c2cc(OCc3cccc(Br)c3)ccc2O1
OC1CC(=O)c2c(OCc3ccc(Br)cc3)cccc2O1
CC(=O)c1c(O)cccc1OCc1cccc(Br)c1
N#Cc1ccc(cc1)-c1csc(N=NCc2ccco2)n1 |w:12.12|
N#Cc1ccc(cc1)-c1csc(N=NCc2cccs2)n1 |w:12.12|
CC(N=Nc1nc(cs1)-c1ccc(cc1)C#N)c1cccs1 |w:3.3|
CC(N=Nc1nc(cs1)-c1ccc(cc1)C#N)c1nccs1 |w:3.3|
CC(N=Nc1nc(cs1)-c1ccc(cc1)C#N)c1ccccn1 |w:3.3|
N#Cc1ccc(cc1)-c1csc(N=NCc2cccnc2)n1 |w:12.12|
CC(N=Nc1nc(cs1)-c1ccc(cc1)C#N)c1cccnc1 |w:3.3|
N#Cc1ccc(cc1)-c1csc(N=NCc2ccncc2)n1 |w:12.12|
CC(N=Nc1nc(cs1)-c1ccc(cc1)C#N)c1ccncc1 |w:3.3|
N#Cc1ccc(cc1)-c1csc(N=NCc2cccc3ccccc23)n1 |w:12.12|
N#Cc1ccc(cc1)-c1csc(N=NCc2c[nH]c3ccccc23)n1 |w:12.12|
N#Cc1ccc(cc1)-c1csc(N=NCc2ccc3OCOc3c2)n1 |w:12.12|
CC(N=Nc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O)c1ccco1 |w:3.3|
CC(N=Nc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O)c1cccs1 |w:3.3|
CC(N=Nc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O)c1nccs1 |w:3.3|
CC(N=Nc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O)c1ccccn1 |w:3.3|
CC(N=Nc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O)c1ccncc1 |w:3.3|
Fc1ccc(cc1)-c1csc(N=NCc2ccco2)n1 |w:11.11|
CC(N=Nc1nc(cs1)-c1ccc(F)cc1)c1ccco1 |w:3.3|
Fc1ccc(cc1)-c1csc(N=NCc2cccs2)n1 |w:11.11|
CC(N=Nc1nc(cs1)-c1ccc(F)cc1)c1cccs1 |w:3.3|
CC(N=Nc1nc(cs1)-c1ccc(F)cc1)c1nccs1 |w:3.3|
CC(N=Nc1nc(cs1)-c1ccc(F)cc1)c1ccccc1 |w:3.3|
CC(N=Nc1nc(cs1)-c1ccc(F)cc1)c1ccccn1 |w:3.3|
Fc1ccc(cc1)-c1csc(N=NCc2cccnc2)n1 |w:11.11|
CC(N=Nc1nc(cs1)-c1ccc(F)cc1)c1cccnc1 |w:3.3|
Fc1ccc(cc1)-c1csc(N=NCc2ccncc2)n1 |w:11.11|
CC(N=Nc1nc(cs1)-c1ccc(F)cc1)c1ccncc1 |w:3.3|
Fc1ccc(cc1)-c1csc(N=NCc2cccc3ccccc23)n1 |w:11.11|
Fc1ccc(cc1)-c1csc(N=NCc2c[nH]c3ccccc23)n1 |w:11.11|
Fc1ccc(cc1)-c1csc(N=NCc2ccc3OCOc3c2)n1 |w:11.11|
Fc1ccc(-c2csc(N=NCc3ccco3)n2)c(F)c1 |w:9.8|
CC(N=Nc1nc(cs1)-c1ccc(F)cc1F)c1ccco1 |w:3.3|
Fc1ccc(-c2csc(N=NCc3cccs3)n2)c(F)c1 |w:9.8|
CC(N=Nc1nc(cs1)-c1ccc(F)cc1F)c1cccs1 |w:3.3|
CC(N=Nc1nc(cs1)-c1ccc(F)cc1F)c1nccs1 |w:3.3|
CC(N=Nc1nc(cs1)-c1ccc(F)cc1F)c1ccccc1 |w:3.3|
Fc1ccc(-c2csc(N=NCc3cccnc3)n2)c(F)c1 |w:9.8|
CC(N=Nc1nc(cs1)-c1ccc(F)cc1F)c1cccnc1 |w:3.3|
Fc1ccc(-c2csc(N=NCc3ccncc3)n2)c(F)c1 |w:9.8|
CC(N=Nc1nc(cs1)-c1ccc(F)cc1F)c1ccncc1 |w:3.3|
Fc1ccc(-c2csc(N=NCc3cccc4ccccc34)n2)c(F)c1 |w:9.8|
Fc1ccc(-c2csc(N=NCc3c[nH]c4ccccc34)n2)c(F)c1 |w:9.8|
Fc1ccc(-c2csc(N=NCc3ccc4OCOc4c3)n2)c(F)c1 |w:9.8|
C\C(=N\Nc1nc(cs1)-c1ccc(F)cc1F)c1cc2ccccc2oc1=O
CC(C)CCSc1ccc2C(=O)NC(=O)c2c1
O=C1NC(=O)c2cc(SC3CCCCC3)ccc12
COc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1
Brc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1
CCCN(C)c1ccc(\C=C2/Cc3cc(O)c(O)cc3C2=O)cc1
CCN(C)c1ccc(\C=C2/Cc3cc(O)c(O)cc3C2=O)cc1
CCN(CC)c1ccc(\C=C2/Cc3cc(O)c(O)cc3C2=O)cc1
CN(C)c1ccc(\C=C2/Cc3cc(O)c(O)cc3C2=O)cc1
CCCN(C)c1ccc(\C=C2/Cc3cc(OC)c(O)cc3C2=O)cc1
CCN(C)c1ccc(\C=C2/Cc3cc(OC)c(O)cc3C2=O)cc1
CCN(CC)c1ccc(\C=C2/Cc3cc(OC)c(O)cc3C2=O)cc1
Cc1c(C)c(=O)oc2cc(OCC(=O)NN3C(SCC3=O)c3ccc(Cl)cc3)ccc12
Cc1cc(=O)oc2cc(OCC(=O)NN3C(SCC3=O)c3ccc(Cl)cc3)ccc12
CC(=NNC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)c1ccc(Cl)cc1 |w:2.2|
CC(=NNC(=O)COc1ccc2c(C)cc(=O)oc2c1)c1ccc(Cl)cc1 |w:2.2|
Cc1c(C)c(=O)oc2cc(OCC(=O)N\N=C\c3ccc(Cl)cc3)ccc12
Cc1cc(=O)oc2cc(OCC(=O)N\N=C\c3ccc(Cl)cc3)ccc12
Cc1c(C)c(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)n3-c3ccc(Cl)cc3)ccc12
Cc1cc(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)n3-c3ccc(Cl)cc3)ccc12
CCN(CC)CCSc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)n1-c1ccc(Cl)cc1
CCN(CC)CCSc1nnc(COc2ccc3c(C)cc(=O)oc3c2)n1-c1ccc(Cl)cc1
Cc1c(C)c(=O)oc2cc(OCc3n[nH]c(=S)n3-c3ccc(Cl)cc3)ccc12
Cc1cc(=O)oc2cc(OCc3n[nH]c(=S)n3-c3ccc(Cl)cc3)ccc12
Cc1c(C)c(=O)oc2cc(OCC(=O)Nn3c(O)csc3=Nc3ccc(Cl)cc3)ccc12 |w:21.22|
Cc1cc(=O)oc2cc(OCC(=O)Nn3c(O)csc3=Nc3ccc(Cl)cc3)ccc12 |w:20.21|
Cc1c(C)c(=O)oc2cc(OCc3nnc(Nc4ccc(Cl)cc4)s3)ccc12
Cc1cc(=O)oc2cc(OCc3nnc(Nc4ccc(Cl)cc4)s3)ccc12
Cc1c(C)c(=O)oc2cc(OCC(=O)NNC(=S)Nc3ccc(Cl)cc3)ccc12
Cc1cc(=O)oc2cc(OCC(=O)NNC(=S)Nc3ccc(Cl)cc3)ccc12
Cc1c(C)c(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)s3)ccc12
Cc1cc(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)s3)ccc12
Cc1c(C)c(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)o3)ccc12
Cc1cc(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)o3)ccc12
CCN(CC)CCSc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)s1
CCN(CC)CCSc1nnc(COc2ccc3c(C)cc(=O)oc3c2)s1
CCN(CC)CCSc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1
CCN(CC)CCSc1nnc(COc2ccc3c(C)cc(=O)oc3c2)o1
Cc1c(C)c(=O)oc2cc(OCc3nnc(S)s3)ccc12
Cc1cc(=O)oc2cc(OCc3nnc(S)s3)ccc12
Cc1c(C)c(=O)oc2cc(OCc3nnc(S)o3)ccc12
Cc1cc(=O)oc2cc(OCc3nnc(S)o3)ccc12
Cc1c(C)c(=O)oc2cc(OCC(=O)NN)ccc12
Cc1cc(=O)oc2cc(OCC(=O)NN)ccc12
c1cc2c(cc1C(=O)N3CCCCCC3)OCO2
O=C(NC1CCCC1)\C=C\c1ccc2OCOc2c1
O=C(CCN1CCCCC1)c1ccc2OCOc2c1
O=C(CN1CCCCC1)c1ccc2OCOc2c1
O=C(\C=C\c1ccc2OCOc2c1)N1CCCC1
CC1CCN(CC1)C(=O)\C=C\c1ccc2OCOc2c1
O=C(\C=C\c1ccc2OCOc2c1)N1CCOCC1
O=C(NC1CCCCC1)\C=C\c1ccc2OCOc2c1
S=C(N1CCCCC1)c1ccc2OCOc2c1
N#Cc1ccc(SC2CCCCC2)cc1
N#Cc1ccc(SCCc2ccccc2)cc1
Brc1ccc(Sc2ccc(cc2)C#N)cc1
Clc1ccc(Sc2ccc(cc2)C#N)cc1
N#Cc1ccc(Sc2ccccc2)cc1
COc1ccc(CSc2ccc(cc2)C#N)cc1
Fc1ccc(CSc2ccc(cc2)C#N)cc1
Brc1ccc(CSc2ccc(cc2)C#N)cc1
Clc1ccc(CSc2ccc(cc2)C#N)cc1
N#Cc1ccc(SCc2ccccc2)cc1
CC(C)CCSc1ccc(C#N)c(c1)C#N
N#Cc1ccc(SC2CCCC2)cc1C#N
N#Cc1ccc(SC2CCCCC2)cc1C#N
N#Cc1ccc(SCCc2ccccc2)cc1C#N
Brc1ccc(Sc2ccc(C#N)c(c2)C#N)cc1
Clc1ccc(Sc2ccc(C#N)c(c2)C#N)cc1
N#Cc1ccc(Sc2ccccc2)cc1C#N
COc1ccc(CSc2ccc(C#N)c(c2)C#N)cc1
Fc1ccc(CSc2ccc(C#N)c(c2)C#N)cc1
Brc1ccc(CSc2ccc(C#N)c(c2)C#N)cc1
Clc1ccc(CSc2ccc(C#N)c(c2)C#N)cc1
N#Cc1ccc(SCc2ccccc2)cc1C#N
Cn1c(SCc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(SCc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(SCCCc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(SCCCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(SCCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)S(=O)Cc1ccccc1
Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)S(=O)CCc1ccc(F)cc1
Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)S(=O)CCc1ccc(Br)cc1
Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)S(=O)CCc1ccc(Cl)cc1
COc1cccc(CCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Cc1cccc(CCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Cn1c(SCCc2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(SCCc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(SCCc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
COc1ccc(CCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Cc1ccc(CCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Cn1c(SCCc2ccc(cc2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(SCCc2ccc(F)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(SCCc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(SCCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
COc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1
Cc1c(C)c(=O)oc2cc(NC(=O)c3ccccc3)ccc12
Cc1c(C)c(=O)oc2cc(OCc3cccc(c3)C(F)(F)F)ccc12
Cc1c(C)c(=O)oc2cc(OCc3ccc(F)c(O)c3)ccc12
C(Oc1ccc2CCOc2c1)c1ccccc1
FC(F)(F)c1cc(=O)oc2cc(OCc3ccccc3)ccc12
Cc1cc(=O)c2cc(OCc3ccccc3)ccc2o1
Cc1ccccc1COc1ccc2c(C)c(C)c(=O)oc2c1
O=c1oc2cc(OCc3ccccc3)ccc2c2ccccc12
O=c1ccc2ccc(COc3ccccc3)cc2o1
Cc1c(C)c(=O)oc2cc(OCc3ccc(cc3)C#N)ccc12
Cc1c(C)c(=O)oc2cc(\C=C\c3ccccc3)ccc12
C(Oc1ccc2OCOc2c1)c1ccccc1
Cc1c(C)c(=O)oc2cc(NCc3ccccc3)ccc12
C(Oc1ccc2ccccc2c1)c1ccccc1
CC1C(C)c2ccc(OCc3ccccc3)cc2NC1=O
Cc1c(C)c(=O)oc2cc(O)c(OCc3ccccc3)cc12
O=c1ccc2ccc(CNc3ccccc3)cc2o1
Cc1c(C)c(=O)oc2cc(OCc3ccc(cc3)[N+]([O-])=O)ccc12
CC(=O)Nc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1
Cc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1
O=c1oc2cc(OCc3ccccc3)ccc2c2CCCCc12
Cc1c(C)c(=O)oc2cc(OCc3cccc(O)c3)ccc12
Cc1c(C)c(=O)oc2cc(OCc3cccc(N)c3)ccc12
Cc1cc(=O)oc2cc(OCc3cccc(c3)[N+]([O-])=O)ccc12
Cc1c(C)c(=O)oc2cc(OCc3ccccc3)c(O)cc12
Cc1c(C)c(=O)oc2cc(OCc3cccc(F)c3)ccc12
CC(Oc1ccc2c(C)c(C)c(=O)oc2c1)c1ccccc1
Cc1c(C)c(=O)oc2cc(OCc3cccc(c3)[N+]([O-])=O)ccc12
c1ccc2c(c1)C=CC(=O)O2
COc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1
Cc1c(C)c(=O)oc2cc(OCc3cccc(OC(F)(F)F)c3)ccc12
Cc1c(C)c(=O)oc2cc(OCc3ccccc3)ccc12
Oc1cc2oc(=O)ccc2cc1OCc1ccccc1
O=c1oc2cc(OCc3ccccc3)ccc2c2CCCc12
Cc1c(C)c(=O)oc2cc(OCc3cc(cc(c3)[N+]([O-])=O)[N+]([O-])=O)ccc12
Cc1c(C)c(=O)oc2cc(OCc3ccccc3C#N)ccc12
Cc1c(C)c(=O)oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc12
O=c1oc2cc(OCc3ccccc3)ccc2s1
Cc1c(C)c(=O)oc2cc(OCc3cc(F)cc(F)c3)ccc12
Cc1c(C)c(=O)oc2cc(OCc3cccc(c3)C#N)ccc12
COc1cc2ccc(=O)oc2cc1OCc1ccccc1
Cc1c(C)c(=O)oc2cc(OCCc3ccccc3)ccc12
C(Oc1ccc2ccoc2c1)c1ccccc1
O=c1ccc2ccc(OS(=O)(=O)c3ccccc3)cc2o1
O=c1cc(-c2ccccc2)c2ccc(OCc3ccccc3)cc2o1
Fc1ccc(cc1)-c1cc([nH]n1)-c1ccc(F)cc1
CCC(=O)N1N=C(CC1c1ccccc1)c1ccccc1 |c:5|
CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:5|
CCC(=O)N1N=C(CC1c1ccc(F)cc1)c1ccccc1 |c:5|
CCC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccccc1 |c:5|
CCC(=O)N1N=C(CC1c1ccc(OC)cc1)c1ccccc1 |c:5|
CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(Cl)cc1 |c:5|
CCC(=O)N1N=C(CC1c1ccc(F)cc1)c1ccc(Cl)cc1 |c:5|
CCC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(Cl)cc1 |c:5|
CCC(=O)N1N=C(CC1c1ccc(OC)cc1)c1ccc(Cl)cc1 |c:5|
CCC(=O)N1N=C(CC1c1ccccc1)c1ccc(F)cc1 |c:5|
CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(F)cc1 |c:5|
CCC(=O)N1N=C(CC1c1ccc(F)cc1)c1ccc(F)cc1 |c:5|
CCC(=O)N1N=C(CC1c1ccc(OC)cc1)c1ccc(F)cc1 |c:5|
CCC(=O)N1N=C(CC1c1ccccc1)c1ccc(C)cc1 |c:5|
CCC(=O)N1N=C(CC1c1ccc(F)cc1)c1ccc(C)cc1 |c:5|
CCC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(C)cc1 |c:5|
CCC(=O)N1N=C(CC1c1ccccc1)c1ccc(OC)cc1 |c:5|
CCC(=O)N1N=C(CC1c1ccc(F)cc1)c1ccc(OC)cc1 |c:5|
CCC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(OC)cc1 |c:5|
CCC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(F)cc1 |c:5|
CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(C)cc1 |c:5|
CCC(=O)N1N=C(CC1c1ccc(OC)cc1)c1ccc(C)cc1 |c:5|
CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(OC)cc1 |c:5|
CCC(=O)N1N=C(CC1c1ccc(OC)cc1)c1ccc(OC)cc1 |c:5|
CCC(=O)N1N=C(CC1c1ccccc1)c1ccc(Cl)cc1 |c:5|
[#6]-[#8]-c1ccc(cc1)-[#6]-1-[#6]-[#6](=[#7]-[#7]-1-[#6](-[#6])=O)-c1ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc1-[#8] |c:11|
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6]-2=[#7]-[#7](-[#6](-[#6]-2)-c2ccc(Cl)cc2)-[#6](-[#7])=S)c(-[#8])c1 |t:10|
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6]-2=[#7]-[#7](-[#6](-[#6]-2)-c2ccc(-[#8]-[#6]-c3ccccc3)cc2)-[#6](-[#6])=O)c(-[#8])c1 |t:10|
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6]-2=[#7]-[#7](-[#6](-[#6]-2)-c2ccc(Cl)cc2)-[#6](-[#6])=O)c(-[#8])c1 |t:10|
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6]-2=[#7]-[#7](-[#6](-[#6]-2)-c2ccc(-[#8]-[#6]-c3ccccc3)cc2)-[#6](-[#7])=S)c(-[#8])c1 |t:10|
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6]-2=[#7]-[#7](-[#6](-[#6]-2)-c2ccccc2)-[#6](-[#7])=S)c(-[#8])c1 |t:10|
Cn1c(CSc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(CSc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(CSc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(CSc2cccc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
Cc1cccc(SCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
COc1cccc(SCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
CCOc1cccc(SCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Cn1c(CSc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(CSc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(COc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(COc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(COc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(COc2cccc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(COc2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
Cc1cccc(OCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
COc1cccc(OCc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Cn1c(COc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(COc2ccc(F)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(CCSc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(CCSc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(CCSc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(CCSc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(COc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(CCSc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
CC1(OC(\C=C\COc2ccc3ccc(=O)oc3c2)=CC1=O)c1ccccc1 |c:20|
Cc1cc(=O)oc2cc(OC\C=C\C3=CC(=O)C(C)(C)O3)ccc12 |t:13|
C\C(=C/COc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 |t:18|
C\C(=C/COc1ccc2c(C)c(C)c(=O)oc2c1)C1=CC(=O)C(C)(C)O1 |t:20|
Cc1c(C)c(=O)oc2cc(OC\C=C\C3=CC(=O)C(C)(C)O3)ccc12 |t:14|
CC(=O)C=CC=CCOc1ccc2ccc(=O)oc2c1 |w:5.4,3.2|
Cc1cc2ccc(OC\C=C\C3=CC(=O)C(C)(C)O3)cc2oc1=O |t:11|
CCOC(=O)c1cc2cc(ccc2cc1O)[N+]([O-])=O
Oc1cc2ccc(Br)cc2cc1C(Cl)=O
Cc1ccc2cc(O)c(cc2c1)C(Cl)=O
CCOC(=O)c1cc2cc(Cl)ccc2cc1O
Cc1ccc2cc(O)c(cc2c1)C(O)=O
CCOC(=O)c1cc2cc(C)ccc2cc1O
Oc1cc2ccccc2cc1C(Cl)=O
Oc1cc2ccc(cc2cc1C(Cl)=O)[N+]([O-])=O
OC(=O)c1cc2cc(Cl)ccc2cc1O
OC(=O)c1cc2cc(Br)ccc2cc1O
OC(=O)c1cc2cc(ccc2cc1O)[N+]([O-])=O
CCOC(=O)c1cc2ccccc2cc1O
Oc1cc2ccc(Cl)cc2cc1C(Cl)=O
CCOC(=O)c1cc2cc(Br)ccc2cc1O
c1ccc2cc(c(cc2c1)C(=O)O)O
O=C(OCc1ccc2ccc(=O)oc2c1)c1ccccc1
Cc1c(C)c(=O)oc2cc(SCc3ccccc3)ccc12
Cc1c(C)c(=O)oc2cc(Oc3ccccc3)ccc12
Cc1c(C)c(=O)oc2cc(OC[C@@H](O)c3ccccc3)ccc12
Cc1c(C)c(=O)oc2cc(OC[C@H](O)c3ccccc3)ccc12
Cc1c(C)c(=O)oc2cc(ccc12)S(=O)(=O)Cc1ccccc1
Cc1c(C)c(=O)oc2cc(CCc3ccccc3)ccc12
Cc1c(C)c(=O)oc2cc(OC\C=C\c3ccccc3)ccc12
Cc1c(C)c(=O)oc2cc(OCS(=O)(=O)c3ccccc3)ccc12
Cc1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O
Cc1c(C)c(=O)oc2cc(OCCOc3ccccc3)ccc12
Cc1cc2ccc(OCc3ccccc3)cc2oc1=O
CCn1c2cc(OCc3ccc(Cl)cc3)n(C)c2c(=O)n(CC)c1=O
CCn1c2cc(C#Cc3ccc(Cl)cc3)n(C)c2c(=O)n(CC)c1=O
CCn1c2cc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CC)c1=O
CCn1c(\C=C\c2ccc(Cl)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)-c1nc2ccc(Cl)cc2o1
Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)-n1cc(nn1)-c1ccc(Cl)cc1
Cn1c(NC(=O)c2ccc(Cl)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Cn1c(Oc2cccc(c2)-c2ccccc2)cc2n(C)c(=O)n(C)c(=O)c12
Cn1c(Oc2cccc(Cl)c2)cc2n(C)c(=O)n(C)c(=O)c12
Cn1c(OCc2ccc3ccccc3c2)cc2n(C)c(=O)n(C)c(=O)c12
Cn1c(OCc2ccc(Cl)c(c2)C(F)(F)F)cc2n(C)c(=O)n(C)c(=O)c12
Cn1c(OCc2ccc(Cl)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)C#CCc1ccccc1
Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)C#Cc1ccc(Cl)cc1
Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)C#Cc1cccc(Cl)c1
Cn1c(\C=C\c2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(\C=C\c2ccccc2O)cc2n(C)c(=O)n(C)c(=O)c12
Cn1c(\C=C\c2ccc(O)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Cn1c(\C=C\c2cccc(O)c2)cc2n(C)c(=O)n(C)c(=O)c12
Cn1c(\C=C\c2ccncc2)cc2n(C)c(=O)n(C)c(=O)c12
Cn1c(\C=C\c2ccc(cc2)C#N)cc2n(C)c(=O)n(C)c(=O)c12
Cn1c(\C=C\c2ccc(cc2)S(C)(=O)=O)cc2n(C)c(=O)n(C)c(=O)c12
CC(=O)c1ccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Cn1c(\C=C\c2cccc(c2)C#N)cc2n(C)c(=O)n(C)c(=O)c12
CC(=O)c1cccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Cn1c(\C=C\c2cccc(N)n2)cc2n(C)c(=O)n(C)c(=O)c12
Cn1c(\C=C\c2ccc3OCOc3c2)cc2n(C)c(=O)n(C)c(=O)c12
Cn1c(\C=C\c2ccc(Cl)c(Cl)c2)cc2n(C)c(=O)n(C)c(=O)c12
Cn1c(\C=C\c2ccc(Br)cc2)cc2n(C)c(=O)n(C)c(=O)c12
CCCOc1ccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
COc1ccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Cn1c(\C=C\c2ccc(cc2)C(F)(F)F)cc2n(C)c(=O)n(C)c(=O)c12
Cn1c(\C=C\c2ccc(F)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Cn1c(\C=C\c2cccc(c2)C(F)(F)F)cc2n(C)c(=O)n(C)c(=O)c12
COc1cccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Cn1c(\C=C\c2ccccc2)cc2n(C)c(=O)n(C)c(=O)c12
Cn1c(\C=C\c2cccc(Cl)c2)cc2n(C)c(=O)n(C)c(=O)c12
Cn1c2ccc(OCc3ccccc3)cc2c2n(C)c(=O)n(C)c(=O)c12
Cn1c2cc(ccc2c2n(C)c(=O)n(C)c(=O)c12)-c1cccc(Cl)c1
Cn1c2cc(ccc2c2n(C)c(=O)n(C)c(=O)c12)-c1ccccc1
CN(C(=O)\C=C\c1ccccc1)c1cn(C)c(=O)n(C)c1=O
Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)ccc12
Cn1c(\C=C\c2ccccc2)nc2ccn(C)c(=O)c12
CCN1c2c(n(c(n2)/C=C/c3ccc(c(c3)OC)OC)C)C(=O)N(C1=O)CC
[#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cs1
NCc1cc(=O)oc2cc(OS(=O)(=O)c3cccc(Cl)c3)ccc12
CNCc1cc(=O)oc2cc(OS(=O)(=O)c3cccc(Cl)c3)ccc12
CNC(=O)Cc1cc(=O)oc2cc(OS(=O)(=O)c3cccc(Cl)c3)ccc12
CNC(=O)Cc1coc2cc(OCc3cccc(Cl)c3)ccc12
CNC(=O)\C=C1\COc2cc(OCc3cccc(Cl)c3)ccc12
Oc1ccc(C=CC(=O)CC(=O)c2ccccc2O)cc1O |w:6.6|
Oc1ccc(C=CC(=O)CC(=O)c2ccccc2O)cc1 |w:6.6|
Cc1ccc(C=CC(=O)CC(=O)c2ccccc2O)cc1 |w:6.6|
Oc1ccccc1C(=O)CC(=O)C=Cc1ccc(cc1)[N+]([O-])=O |w:12.12|
COc1cc(C=CC(=O)CC(=O)c2c(O)cccc2OC)ccc1O |w:6.6|
Oc1ccc(F)cc1C(=O)CC(=O)C=Cc1ccccc1 |w:13.13|
Oc1ccccc1C(=O)CC(=O)C=Cc1ccccc1 |w:12.12|
Oc1ccc(F)cc1C(=O)\C=C\c1ccccc1
Oc1ccccc1C(=O)\C=C\C=C\c1ccc(cc1)[N+]([O-])=O
COc1cc(\C=C\C=C\C(=O)c2c(O)cccc2O)ccc1O
COc1ccc(\C=C\C=C\C(=O)c2c(O)cccc2O)cc1OC
COc1cc(\C=C\C=C\C(=O)c2c(O)cccc2OC)ccc1O
COc1cc(\C=C\C=C\C(=O)c2ccccc2O)ccc1O
COc1ccc(\C=C\C=C\C(=O)c2ccccc2O)cc1OC
COc1ccc(\C=C\C=C\C(=O)c2ccccc2O)cc1
COc1ccc(\C=C\C=C\C(=O)c2cc(F)ccc2O)cc1
Oc1ccc(F)cc1C(=O)\C=C\C=C\c1ccccc1
COc1ccc(C(=O)\C=C\C=C\c2ccc(Cl)cc2)c(O)c1
Oc1ccccc1C(=O)\C=C\C=C\c1ccc(Cl)cc1
Oc1ccc(Cl)cc1C(=O)\C=C\C=C\c1ccc(Cl)cc1
Oc1ccc(Cl)cc1C(=O)\C=C\C=C\c1ccc(cc1)[N+]([O-])=O
Oc1ccccc1C(=O)\C=C\C=C\c1ccccc1
COc1ccc(\C=C\C=C\C(=O)c2cc(Cl)ccc2O)cc1
Oc1ccc(Cl)cc1C(=O)\C=C\C=C\c1ccccc1
CC(C)C[C@@H](CF)N(C)CC#C |r|
CN(CC#C)[C@H](CF)Cc1ccco1 |r|
CN(CC#C)[C@H](CF)CC(C)=C |r|
COc1ccc(C[C@@H](C)N(CCCCCCNc2c3CCCCc3nc3ccccc23)CC#C)cc1 |r|
C[C@H](Cc1ccc(OCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1)N(C)CC#C |r|
C[C@H](Cc1ccc(OCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1)N(C)CC#C |r|
C[C@H](Cc1ccc(OCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1)N(C)CC#C |r|
C[C@H](Cc1ccc(OCCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1)N(C)CC#C |r|
C[C@H](Cc1ccc(OCCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1)N(C)CC#C |r|
C[C@H](Cc1ccc(OCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1)N(C)CC#C |r|
C[C@H](Cc1ccc(OCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1)N(C)CC#C |r|
C[C@H](Cc1ccc(OCCCCCCNc2c3CCCCc3nc3ccccc23)cc1)N(C)CC#C |r|
C[C@H](Cc1ccc(OCCCCCNc2c3CCCCc3nc3ccccc23)cc1)N(C)CC#C |r|
C[C@H](Cc1ccc(OCCCCNc2c3CCCCc3nc3ccccc23)cc1)N(C)CC#C |r|
C[C@H](Cc1ccc(OCCCNc2c3CCCCc3nc3ccccc23)cc1)N(C)CC#C |r|
C[C@H](Cc1ccc(OCCNc2c3CCCCc3nc3ccccc23)cc1)N(C)CC#C |r|
CC1CCC\C1=N/Nc1nc(cs1)-c1ccc(cc1)C#N
CC1CC\C(C1)=N/Nc1nc(cs1)-c1ccc(F)cc1
CC1CC\C(C1)=N/Nc1nc(cs1)-c1ccc(cc1)C#N
CC1CC\C(C1)=N/Nc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O
C[C@@H]1CC\C(C1)=N\Nc1nc(cs1)-c1ccc(F)cc1F |r|
C[C@@H]1CC\C(C1)=N/Nc1nc(cs1)-c1ccc(F)cc1F |r|
CC1CCC\C1=N/Nc1nc(cs1)-c1ccc(F)cc1F
CC1CCC\C1=N/Nc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O
CC1CCC\C1=N/Nc1nc(cs1)-c1ccc(F)cc1
CC1CC\C(C1)=N/Nc1nc(cs1)-c1ccc(F)cc1F
O=C(NCCCN1CCOCC1)c1cc2ccccc2oc1=O
Cc1ccccc1NC(=O)c1cc2ccccc2oc1=O
COc1ccccc1NC(=O)c1cc2ccccc2oc1=O
Brc1cc(Br)c2oc(=O)c(cc2c1)C(=O)NCCCN1CCOCC1
Cc1ccccc1NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O
COc1ccccc1NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O
Cc1cccc(NC(=O)c2cc3cc(Br)cc(Br)c3oc2=O)c1
FC(F)(F)c1cccc(NC(=O)c2cc3cc(Br)cc(Br)c3oc2=O)c1
[O-][N+](=O)c1ccc2oc(=O)c(cc2c1)C(=O)NCCCN1CCOCC1
Cc1ccccc1NC(=O)c1cc2cc(ccc2oc1=O)[N+]([O-])=O
COc1ccccc1NC(=O)c1cc2cc(ccc2oc1=O)[N+]([O-])=O
Cc1cccc(NC(=O)c2cc3cc(ccc3oc2=O)[N+]([O-])=O)c1
[O-][N+](=O)c1ccc2oc(=O)c(cc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
CCCCCCN(CCCCCC)C(=O)c1cc2ccccc2oc1=O
CC(C)(C)NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O
CCC(C)NC(=O)c1cc2cc(ccc2oc1=O)[N+]([O-])=O
O=C1CCCc2cc(OCc3ccccc3)ccc12
Fc1cccc(COc2ccc3C(=O)CCCc3c2)c1
Fc1ccc(COc2ccc3C(=O)CCCc3c2)cc1
Clc1cccc(COc2ccc3C(=O)CCCc3c2)c1
Clc1ccc(COc2ccc3C(=O)CCCc3c2)cc1
Brc1cccc(COc2ccc3C(=O)CCCc3c2)c1
Brc1ccc(COc2ccc3C(=O)CCCc3c2)cc1
Ic1cccc(COc2ccc3C(=O)CCCc3c2)c1
Ic1ccc(COc2ccc3C(=O)CCCc3c2)cc1
Cc1ccc(COc2ccc3C(=O)CCCc3c2)cc1
O=C1CCCc2cc(OCc3cccc(c3)C#N)ccc12
O=C1CCCc2cc(OCc3ccc(cc3)C#N)ccc12
FC(F)(F)c1ccc(COc2ccc3C(=O)CCCc3c2)cc1
O=C1CCCc2cc(OCCc3ccccc3)ccc12
O=C1CCCc2cc(OCCCc3ccccc3)ccc12
O=C1CCCc2ccccc12
c1cc2c(cc1O)CCCC2=O
Oc1ccc(CN(CC#C)C(CCC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12
Oc1ccc(CN(CC#C)C(CC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12
Oc1ccc(CN(CC#C)CC2CCN(Cc3ccccc3)CC2)c2cccnc12
Oc1ccc(CN(CCCC2CCN(Cc3ccccc3)CC2)CC#C)c2cccnc12
Oc1ccc(CN(CC#C)C(C#N)C2CCN(Cc3ccccc3)CC2)c2cccnc12
Oc1ccc(CN(CCC2CCN(Cc3ccccc3)CC2)CC#C)c2cccnc12
CC(C)(C)NC(=O)c1cc2ccccc2oc1=O
CC(C)NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O
CCC(C)NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O
CCCCCCN(CCCCCC)C(=O)c1cc2cc(Br)cc(Br)c2oc1=O
Brc1ccc(SC(=O)c2cc3ccccc3oc2=O)cc1
O=C(SCc1ccco1)c1cc2ccccc2oc1=O
O=C(Sc1ncccn1)c1cc2ccccc2oc1=O
CCCCSC(=O)c1cc2ccccc2oc1=O
Brc1ccc(SC(=O)c2cc3cc(Br)c(Br)cc3oc2=O)cc1
Brc1cc2cc(C(=O)SCc3ccco3)c(=O)oc2cc1Br
[O-][N+](=O)c1ccc2oc(=O)c(cc2c1)C(=O)Sc1ccc(Br)cc1
[O-][N+](=O)c1ccc2oc(=O)c(cc2c1)C(=O)SCc1ccco1
FC(F)(F)c1ccc2oc(=O)c(cc2c1)C(=O)Sc1ccc(Br)cc1
C\C(\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
CC1=C(\C=N\NC(N)=O)C(C)(C)CC=C1 |c:1,13|
CC1=C(\C=N\NC(N)=S)C(C)(C)CC=C1 |c:1,13|
CN(\N=C\C1=C(C)C=CCC1(C)C)C(N)=S |c:4,7|
CC1=C(\C=N\NC(=S)Nc2ccccc2)C(C)(C)CC=C1 |c:1,20|
CC1=C(\C=N\N=C2\NC(=O)CS2)C(C)(C)CC=C1 |c:1,17|
CC1=C(\C=N\N=C2/SCC(=O)N2Cc2ccccc2)C(C)(C)CC=C1 |c:1,25|
CC1=C(\C=N\Nc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)C(C)(C)CC=C1 |c:1,26|
N[C@]1(CCc2ccccc2)C[C@H]1c1ccccc1
N[C@]1(Cc2ccccc2)C[C@H]1c1ccccc1
N[C@@]1(C[C@H]1c1ccccc1)c1ccccc1
CC[C@]1(N)C[C@@H]1c1ccccc1
CC[C@@]1(N)C[C@@H]1c1ccccc1
CC[C@@]1(N)C[C@H]1c1ccccc1
N[C@]1(C[C@@H]1c1ccccc1)c1ccccc1
N[C@]1(Cc2ccc3ccccc3c2)C[C@H]1c1ccccc1
C[C@]1(N)C[C@@H]1c1ccccc1
N[C@@]1(Cc2ccccc2)C[C@@H]1c1ccccc1
CCC[C@@]1(N)C[C@H]1c1ccccc1
C[C@]1(N)C[C@@H]1c1ccccc1
N[C@]1(C[C@H]1c1ccccc1)c1ccccc1
C[C@@]1(N)C[C@H]1c1ccccc1
N[C@]1(Cc2ccccc2)C[C@@H]1c1ccccc1
ClCC(=O)Nc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
NC(=O)CNc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Clc1cccc(COc2ccc3c(CCC#N)cc(=O)oc3c2)c1
NC(=O)CCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
OC(=O)CCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Clc1cccc(COc2ccc3c(CCN4CCCCC4)cc(=O)oc3c2)c1
Clc1cccc(COc2ccc3c(CCBr)cc(=O)oc3c2)c1
OCCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
OC(=O)COc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CCNC(=O)Nc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
OC(=O)c1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
COC[C@@H]1CN(C(=O)O1)c1noc2cc(OCCCC(F)(F)F)ccc12 |r|
COC[C@@H]1CN(C(=O)O1)c1noc2cc(OCCCF)ccc12 |r|
COC[C@@H]1CN(C(=O)O1)c1noc2cc(OCCCCF)ccc12 |r|
COC[C@@H]1CN(C(=O)O1)c1noc2cc(OCCCCCF)ccc12 |r|
Cc1ccc2oc(=O)c(cc2c1)-c1ccccc1[N+]([O-])=O
Cc1ccc2oc(=O)c(cc2c1)-c1cccc(c1)[N+]([O-])=O
Cc1ccc2oc(=O)c(cc2c1)-c1ccccc1N
Cc1ccc2oc(=O)c(cc2c1)-c1ccc(N)cc1
Fc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1Cl
Fc1cc(NC(=O)c2ccc3cn[nH]c3c2)ccc1Cl
Fc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1F
COc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1OC
COc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1Cl
Oc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1Cl
COc1cc(NC(=O)c2ccc3cn[nH]c3c2)ccc1Cl
Oc1cc(NC(=O)c2ccc3cn[nH]c3c2)ccc1Cl
Clc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1Cl
Cn1ccc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Clc1ccc(NC(=O)c2ccc3nccn3c2)cc1Cl
Clc1ccc(NC(=O)c2ccc3nncn3c2)cc1Cl
Clc1cc(Cl)cc(NC(=O)c2ccc3cn[nH]c3c2)c1
Clc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1Cl
Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(Cl)c(Cl)c1
Clc1ccc(CNC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Oc1cc(NC(=O)c2ccc3[nH]ncc3c2)ccc1Cl
COc1cc(NC(=O)c2ccc3[nH]ncc3c2)ccc1Cl
Oc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1OC
Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1F
Clc1cc(Cl)cc(NC(=O)c2ccc3[nH]ncc3c2)c1
O=C(Nc1ccccc1)c1ccc2[nH]ncc2c1
Clc1ccc(CC(=O)Nc2ccc3[nH]ncc3c2)cc1Cl
Cn1cc(ccc1=O)C(=O)Nc1ccc2[nH]ncc2c1
Clc1cc(cnc1N1CCOCC1)C(=O)Nc1ccc2cn[nH]c2c1
[O-][N+](=O)c1ccc2[nH]ncc2c1
Cc1ccc(\C=C\C(=O)c2cc(Cl)ccc2O)cc1
Cc1ccc(\C=C\C(=O)c2cc(Br)ccc2O)cc1
COc1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1
Cc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1
Cc1cccc(\C=C\C(=O)c2ccc(Cl)cc2)c1
COc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1
Cc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1
COc1ccc(cc1)C(=O)\C=C\c1ccc(C)cc1
Cc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1ccncc1)c1cc(Cl)ccc1O |r,c:10|
Cc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1ccco1)c1cc(Cl)ccc1O |r,c:10|
Cc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1ccccc1)c1cc(Cl)ccc1O |r,c:10|
COc1ccc(cc1)C(=O)N1N=C(C[C@@H]1c1ccc(C)cc1)c1cc(Cl)ccc1O |r,c:12|
Cc1nnsc1C(=O)N1N=C(C[C@@H]1c1ccc(C)cc1)c1cc(Cl)ccc1O |r,c:10|
Cc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1ccncc1)c1cc(Br)ccc1O |r,c:10|
Cc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1ccco1)c1cc(Br)ccc1O |r,c:10|
Cc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1ccccc1)c1cc(Br)ccc1O |r,c:10|
COc1ccc(cc1)C(=O)N1N=C(C[C@@H]1c1ccc(C)cc1)c1cc(Br)ccc1O |r,c:12|
Cc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1cccs1)c1cc(Br)ccc1O |r,c:10|
COc1ccc(\C=C\C(=N/NC(=O)c2ccc(OC)cc2)\c2ccc(Br)cc2)cc1
COc1ccc(\C=C\C(=N/NC(=O)c2ccco2)\c2ccc(Br)cc2)cc1
Cc1ccc(\C=C\C(=N/NC(=O)c2cccs2)\c2ccc(Cl)cc2)cc1
Cc1nnsc1C(=O)N\N=C(\C=C\c1ccc(C)cc1)/c1ccc(Cl)cc1
Cc1nnsc1C(=O)N\N=C(\C=C\c1cccc(C)c1)/c1ccc(Cl)cc1
COc1ccc(\C=C\C(=N\NC(=O)c2snnc2C)\c2ccc(Cl)cc2)cc1
COc1ccc(\C=C\C(=N/NC(=O)c2ccc(OC)cc2)\c2ccc(Cl)cc2)cc1
Cc1nnsc1C(=O)N\N=C(\C=C\c1ccc(C)cc1)/c1ccc(O)cc1
COc1ccc(cc1)\C(\C=C\c1ccc(C)cc1)=N/NC(=O)c1snnc1C
CC1=NN(C(C1)c1cc(Br)cc(Br)c1O)C(=O)CN1CCC(CO)CC1 |t:1|
CC1=NN(C(C1)c1cc(Br)cc(Br)c1O)C(=O)CN1CCN(CCO)CC1 |t:1|
CC1=NN(C(C1)c1cc(Br)cc(Br)c1O)C(=O)CN1CCC(=O)CC1 |t:1|
CC1=NN(C(C1)c1cc(Br)cc(Br)c1O)C(=O)CN1CCCCC1 |t:1|
CC1=NN(C(C1)c1cc(Cl)ccc1O)C(=O)CN1CCOCC1 |t:1|
CC1=NN(C(C1)c1cc(Cl)ccc1O)C(=O)CN1CCCCC1 |t:1|
Oc1ccc(Cl)cc1C1CC(=NN1C(=O)CN1CCNCC1)c1ccc(F)cc1 |c:11|
Cc1ccc(cc1)C1=NN(C(C1)c1cc(Cl)ccc1O)C(=O)Cn1ccnc1 |t:8|
Oc1ccccc1C1CC(=NN1C(=O)Cn1ccnc1)c1ccccc1 |c:10|
Cc1ccc(cc1)C1=NN(C(C1)c1ccccc1O)C(=O)Cn1ccnc1 |t:8|
Oc1ccc(Cl)cc1C1CC(=NN1C(=O)CN1CCOCC1)c1ccc(Cl)cc1 |c:11|
Oc1ccc(Cl)cc1C1CC(=NN1C(=O)CN1CCOCC1)c1ccc(F)cc1 |c:11|
COc1ccc(cc1)C1=NN(C(C1)c1cc(Cl)ccc1O)C(=O)CN1CCOCC1 |t:9|
Oc1ccccc1C1CC(=NN1C(=O)CN1CCOCC1)c1ccc(Cl)cc1 |c:10|
Oc1ccc(Cl)cc1C1CC(=NN1C(=O)CN1CCCCC1)c1ccc(Cl)cc1 |c:11|
Cc1ccc(cc1)C1=NN(C(C1)c1cc(Cl)ccc1O)C(=O)CN1CCCCC1 |t:8|
Oc1ccccc1C1CC(=NN1C(=O)CN1CCCCC1)c1ccc(Cl)cc1 |c:10|
Oc1ccccc1C1CC(=NN1C(=O)CN1CCCCC1)c1ccc(F)cc1 |c:10|
Oc1ccccc1C1CC(=NN1C(=O)CN1CCCCC1)c1ccccc1 |c:10|
Cc1ccc(cc1)C1=NN(C(C1)c1ccccc1O)C(=O)CN1CCCCC1 |t:8|
COc1ccc(cc1)C1=NN(C(C1)c1ccccc1O)C(=O)CN1CCCCC1 |t:9|
Oc1ccccc1C1CC(=NN1C(=O)CBr)c1ccc(F)cc1 |c:10|
Cc1cc(=O)[nH]c2cc(ccc12)\N=C\c1ccccc1O
Oc1ccc(\C=N\c2ccc3c4CCCc4c(=O)oc3c2)c(O)c1
Oc1ccc(\C=N\c2ccc3c4CCCCc4c(=O)oc3c2)c(O)c1
Cc1c(Cl)c(=O)oc2cc(ccc12)\N=C\c1ccc(O)cc1O
Cc1c(C)c(=O)oc2cc(ccc12)\N=C\c1ccc(O)cc1O
Oc1ccccc1\C=N\c1ccc2c3CCCc3c(=O)oc2c1
Oc1ccccc1\C=N\c1ccc2c3CCCCc3c(=O)oc2c1
Cc1c(Cl)c(=O)oc2cc(ccc12)\N=C\c1ccccc1O
Cc1c(C)c(=O)oc2cc(ccc12)\N=C\c1ccccc1O
Cc1cc(=O)oc2cc(ccc12)\N=C\c1ccc(Br)cc1O
Cc1ccc(\C=N\c2ccc3c(C)cc(=O)oc3c2)c(O)c1
COc1ccc(\C=N\c2ccc3c(C)cc(=O)oc3c2)c(O)c1
Cc1cc(=O)oc2cc(ccc12)\N=C\c1ccc(O)cc1O
Cc1cc(=O)oc2cc(ccc12)\N=C\c1ccccc1O
Oc1ccccc1CNc1ccc2c3CCCc3c(=O)oc2c1
Oc1ccccc1CNc1ccc2c3CCCCc3c(=O)oc2c1
Cc1c(Cl)c(=O)oc2cc(NCc3ccccc3O)ccc12
Cc1c(C)c(=O)oc2cc(NCc3ccccc3O)ccc12
Cc1cc(=O)oc2cc(NCc3ccccc3O)ccc12
Cc1c(C)c(=O)[nH]c2cc(ccc12)\N=C\c1ccccc1O
COc1ccc(cc1)-c1c(Br)c2cc(C#N)c(cc2n1O)C#N
On1c(c(Br)c2cc(C#N)c(cc12)C#N)-c1ccccc1
Cn1c(-c2cccs2)c(Cl)c2cc(C#N)c(cc12)C#N
Cc1ccc(cc1)-c1c(Cl)c2cc(C#N)c(cc2n1C)C#N
COc1ccc(cc1)-c1c(Cl)c2cc(C#N)c(cc2n1C)C#N
Cn1c(c(Cl)c2cc(C#N)c(cc12)C#N)-c1ccccc1
Clc1c([nH]c2cc(C#N)c(cc12)C#N)-c1cccs1
Cc1ccc(cc1)-c1[nH]c2cc(C#N)c(cc2c1Cl)C#N
COc1ccc(cc1)-c1[nH]c2cc(C#N)c(cc2c1Cl)C#N
Clc1c([nH]c2cc(C#N)c(cc12)C#N)-c1ccccc1
Cc1ccc(cc1)-c1c(Br)c2cc(C#N)c(cc2n1O)C#N
COc1ccc(cc1)-c1c(Br)c2cc(C#N)c(cc2n1OC)C#N
N=C(NCCCNCCCCCCCNCCCNC(=N)NC(=N)NCCC(c1ccccc1)c1ccccc1)NC(=N)NCCC(c1ccccc1)c1ccccc1
S=C(NCCCNCCCCCNCCCNC(=S)NC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1
S=C(NCCCNCCCCCNCCCNC(=S)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1
S=C(NCCCNCCCCCNCCCNC(=S)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN1CC=CC1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:122|
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN1CCC=CC1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:123|
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CC=CC1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:84|
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CCC=CC1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:85|
C[C@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
C[C@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)C(=O)NCC(=O)NCC(O)=O |r|
C[C@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r|
C[C@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CCCCNC1CC1c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
C(Oc1ccc2OCCOc2c1)c1ccccc1
Clc1cccc(COc2ccc3OCCOc3c2)c1
Brc1cccc(COc2ccc3OCCOc3c2)c1
C(Cc1ccccc1)Oc1ccc2OCCOc2c1
C(COc1ccc2OCCOc2c1)Cc1ccccc1
C(COc1ccc2OCCOc2c1)Oc1ccccc1
Clc1ccc(OCCOc2ccc3OCCOc3c2)cc1
Brc1ccc(OCCOc2ccc3OCCOc3c2)cc1
CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C |(17.73,-40.24,;19.06,-41.01,;19.06,-42.55,;20.39,-40.24,;20.4,-38.7,;21.73,-37.93,;23.06,-38.69,;24.39,-37.91,;25.73,-38.69,;27.06,-37.93,;28.39,-38.69,;28.39,-40.23,;27.06,-41,;25.73,-40.23,;24.39,-41.01,;23.06,-40.24,;21.73,-41.01,;29.73,-41,;29.73,-42.54,;31.06,-40.23,)|
Brc1ccc(OCCOc2ccc3OCOc3c2)cc1
Clc1ccc(OCCOc2ccc3OCOc3c2)cc1
C(COc1ccc2OCOc2c1)Oc1ccccc1
C(COc1ccc2OCOc2c1)Cc1ccccc1
C(Cc1ccccc1)Oc1ccc2OCOc2c1
Brc1cccc(COc2ccc3OCOc3c2)c1
Clc1cccc(COc2ccc3OCOc3c2)c1
CN(CC#C)Cc1cc2cc(OCc3ccc(OC(=O)N(C)C)c4ncccc34)ccc2n1C
COc1ccc(COc2ccc3[nH]c(CN(C)CC#C)cc3c2)c2cccnc12
COc1ccc(CN2CCC(CCCOc3ccc4n(C)c(CN(C)CC#C)cc4c3)CC2)c2cccnc12
OCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
CCOC(=O)c1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
C=CCNCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
C#CCNCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1
CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccc(OC(=O)N(C)C)c5ncccc45)CC3)ccc2n1C
CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4C)CC3)ccc2n1C
CC(=O)NNc1nc2ccccc2nc1Cc1ccccc1
O=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccccc1
Clc1ccc(cc1)C(=O)NNc1nc2ccccc2nc1Cc1ccccc1
COc1ccc(cc1)C(=O)NNc1nc2ccccc2nc1Cc1ccccc1
Brc1ccc(cc1)C(=O)NNc1nc2ccccc2nc1Cc1ccccc1
Clc1ccc(cc1)C(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
Brc1ccc(cc1)C(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
[O-][N+](=O)c1ccc(cc1)C(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
CC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
O=C(Cn1c2ccccc2nc(Cc2ccccc2)c1=O)NNC(=O)C(Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc12
CC(C)(C)Oc1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)NNC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
O=C(Cn1c2ccccc2nc(Cc2ccccc2)c1=O)N\N=C\c1ccccc1
Oc1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
COc1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
Clc1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
Brc1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
[O-][N+](=O)c1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
O=C(Cn1c2ccccc2nc(Cc2ccccc2)c1=O)N\N=C1\C(=O)Nc2ccccc12
CC(C)CC(NC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O)C(=O)OC(C)(C)C
CC(C)(C)OC(=O)C(Cc1ccccc1)NC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
CC(C)(C)OC(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
COc1cc(cc(OC)c1OC)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N
CN(CC#C)CC(=C)c1ccccc1
C[NH+](CC#C)CC(=C)c1ccoc1
CN(CC#C)CC(=C)c1cccs1
C=C(CNCC#C)c1ccccc1
C[NH+](CC#C)CC(=C)CCc1ccccc1
C[NH+](CC#C)CC(=C)Cc1ccc(F)c(F)c1
C[NH+](CC#C)CC(=C)c1cccc(Cl)c1
C[NH+](CC#C)CC(=C)c1ccc(Cl)cc1
CN(CC#C)CC(=C)c1ccc(Br)cc1
C[NH+](CC#C)CC(=C)c1cccc(F)c1
CN(CC#C)CC(=C)c1ccc(F)cc1
COc1cccc(c1)C(=C)C[NH+](C)CC#C
COc1ccc(cc1)C(=C)CN(C)CC#C
C[NH+](CC#C)CC(=C)c1cccc(OCc2ccccc2)c1
C[NH+](CC#C)CC(=C)c1cccc(COc2ccccc2)c1
C[NH+](CC#C)CC(=C)c1ccc(COc2ccccc2)cc1
C[NH+](CC#C)CC(=C)c1cccc(CNc2ccccc2)c1
C[NH+](CC#C)CC(=C)c1ccc(CNc2ccccc2)cc1
C[NH+](CC#C)CC(=C)c1cccc(OCc2cccc(F)c2)c1
C[NH+](CC#C)CC(=C)c1cccc(OCc2ccc(F)cc2)c1
COc1cccc(COc2cccc(c2)C(=C)C[NH+](C)CC#C)c1
COc1ccc(COc2cccc(c2)C(=C)C[NH+](C)CC#C)cc1
C[NH+](CC#C)CC(=C)c1cccc(COc2cccc(F)c2)c1
C[NH+](CC#C)CC(=C)c1cccc(COc2ccc(F)cc2)c1
COc1cccc(OCc2cccc(c2)C(=C)C[NH+](C)CC#C)c1
COc1ccc(OCc2cccc(c2)C(=C)C[NH+](C)CC#C)cc1
C=C(C[NH2+]CC#C)c1cccc(COc2ccccc2)c1
Fc1cccc(COc2cccc(c2)C(=C)C[NH2+]CC#C)c1
C[NH+](CC#C)CC(=C)c1ccc(C)c(C)c1
C[NH+](CC#C)CC(=C)c1ccc(F)c(F)c1
C[NH+](CC#C)CC(=C)c1ccc(Cl)c(Cl)c1
C[NH+](CC#C)CC(=C)c1ccc(F)c(C)c1
C[NH+](CC#C)CC(=C)c1ccc(Cl)c(C)c1
C[NH+](CC#C)CC(=C)c1ccc(F)c(Cl)c1
C[NH+](CCCC(=C)c1ccccc1)CC#C
CC(C#C)[NH+](C)CC(=C)c1ccccc1
CC[NH+](CC#C)CC(=C)c1ccccc1
C[NH+](CC#C)CC(=C)c1ccco1
C[NH+](CC#C)CC(=C)c1cccc(Br)c1
CN(CC#C)CC(=C)c1ccccc1F
COc1ccccc1C(=C)CN(C)CC#C
C[NH+](CC#C)CC(=C)c1ccc(OCc2ccccc2)cc1
C#CCN(C)C/C(=C\F)c1ccccc1
[Br-].CCOC(=O)C(C(=O)N\N=C\c1ccc(Cl)cc1)[n+]1ccc2ccccc2c1
[Br-].CCOC(=O)C(C(=O)N\N=C\c1ccc(cc1)[N+]([O-])=O)[n+]1ccc2ccccc2c1
N\N=C\c1ccc(cc1)[N+]([O-])=O
CCOC(=O)C(C(=O)NCCc1ccccc1)[n+]1ccc2ccccc2c1
Cl.N[C@H]1C[C@H]1c1cccc(NC(=O)c2ccccc2)c1 |r|
Cl.N[C@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r|
Cl.N[C@@H]1C[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r|
Cl.N[C@@H]1C[C@H]1c1cccc(NC(=O)c2ccccc2)c1 |r|
Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r|
Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r|
O=c1ccc2ccc(OCCN3CCN(CCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
O=c1ccc2ccc(OCCCN3CCN(CCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
O=c1ccc2ccc(OCCCCN3CCN(CCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
O=c1ccc2ccc(OCCCCCN3CCN(CCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
O=c1ccc2ccc(OCCCCCCN3CCN(CCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
O=c1ccc2ccc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
O=c1ccc2ccc(OCCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
O=c1ccc2ccc(OCCCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
O=c1ccc2ccc(OCCCCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
O=c1ccc2ccc(OCCCCCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
Cc1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
Cc1cc2ccc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)cc2oc1=O
Cc1c(C)c(=O)oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
Cc1c(Cl)c(=O)oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
COc1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
CCOc1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
FC(F)(F)c1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
Nc1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
O=c1oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc2c2CCCCc12
Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
CCOC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
COC(=O)CCCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
COC(=O)CCCCCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
COC(=O)C1(CCCC1)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1 |r|
COC(=O)C(C)(C)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
COC(=O)C[C@H](NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1)C(=O)OC |r|
COC(=O)CCCNC(=O)C(=O)c1ccccc1NC(C)=O
COC(=O)CCCCCNC(=O)C(=O)c1ccccc1NC(C)=O
COC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1 |r|
COC(=O)[C@@H](NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1)C(C)C |r|
CC(=O)N1C(=O)C(=O)c2ccccc12
COC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1ccccc1NC(C)=O |r|
COC(=O)C[C@H](NC(=O)C(=O)c1ccccc1NC(C)=O)C(=O)OC |r|
COC(=O)CCNC(=O)C(=O)c1ccccc1NC(C)=O
CN(CCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
CCN(CCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
CN(CCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Cc1c(C)c(=O)oc2cc(OCCCCCNCc3ccccc3)ccc12
CN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
CN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1cccc(c1)C#N
CN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1cccc(Cl)c1
CN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccc(cc1)C#N
CCN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
CN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
CCN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
CN(C)Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1
CN(Cc1ccccc1)Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1
CN(Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1)Cc1cccc(c1)C#N
COc1cccc(CN(C)Cc2cccc(COc3ccc4ccc(=O)oc4c3)c2)c1
CN(Cc1cccc(Cl)c1)Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1
CN(C)Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
CN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
CN(Cc1ccccc1)Cc1ccc(COc2ccc3cc(C)c(=O)oc3c2)cc1
CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1
CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
CN(Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1cccc(c1)C#N
COc1cccc(CN(C)Cc2ccc(COc3ccc4ccc(=O)oc4c3)cc2)c1
CN(Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1cccc(Cl)c1
CN(Cc1ccc(COc2ccc3cc(C)c(=O)oc3c2)cc1)Cc1cccc(Cl)c1
CN(Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)Cc1cccc(Cl)c1
CN(Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1)Cc1cccc(Cl)c1
CN(Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
CN(Cc1ccc(COc2ccc3cc(C)c(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
CN(Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
CN(Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
CN(Cc1ccc(COc2ccc3cc(C#N)c(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
OCc1cc(=O)oc2cc(OCc3ccc(CNCc4ccccc4)cc3)ccc12
CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccc(Cl)c1
CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
CN(CCc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1ccccc1
CN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)[nH]c3c2)cc1
COC(=O)CCCCCN1C(Nc2ccccc2C1=O)c1ccc(Cl)cc1
COC(=O)CCCCCN1C(Nc2ccccc2C1=O)c1ccc2OCOc2c1
NNC(=O)C(Cc1ccccc1)N1C(Nc2ccccc2C1=O)c1ccc(Cl)cc1
NNC(=O)C(Cc1ccccc1)N1C(Nc2ccccc2C1=O)c1ccco1
COC(=O)CCN1C(Nc2ccccc2C1=O)c1ccc2OCOc2c1
COC(=O)CCN1C(Nc2ccccc2C1=O)c1ccccc1
COC(=O)CCCN1C(Nc2ccccc2C1=O)c1ccccc1
COC(=O)CCN1C(Nc2ccccc2C1=O)c1ccc(Cl)cc1
COC(=O)CCCN1C(Nc2ccccc2C1=O)c1ccco1
COC(=O)CCCN1C(Nc2ccccc2C1=O)c1ccc2OCOc2c1
COc1ccc(cc1)C1Nc2ccccc2C(=O)N1CC(=O)NN
NNC(=O)CN1C(Nc2ccccc2C1=O)c1ccc(Cl)cc1
CC(N1C(Nc2ccccc2C1=O)c1ccco1)C(=O)NN
COC(=O)C(C)N1C(Nc2ccccc2C1=O)c1ccc2OCOc2c1
COC(=O)C(Cc1ccccc1)N1C(Nc2ccccc2C1=O)c1ccco1
COC(=O)C(C)N1C(Nc2ccccc2C1=O)c1ccco1
NNC(=O)CN1C(Nc2ccccc2C1=O)c1ccccc1
COC(=O)C(Cc1ccccc1)N1C(Nc2ccccc2C1=O)c1ccc(Cl)cc1
NNC(=O)CN1C(Nc2ccccc2C1=O)c1ccco1
COC(=O)CN1C(Nc2ccccc2C1=O)c1ccc(Cl)cc1
COC(=O)CN1C(Nc2ccccc2C1=O)c1ccco1
COC(=O)C(C)N1C(Nc2ccccc2C1=O)c1ccccc1
COC(=O)[C@H](C)NC(=O)c1ccccc1N |r|
COC(=O)CN1C(Nc2ccccc2C1=O)c1ccc(OC)cc1
COC(=O)CCNC(=O)c1ccccc1N
COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1N |r|
COC(=O)CCCCCNC(=O)c1ccccc1N
COC(=O)CCCNC(=O)c1ccccc1N
COC(=O)CN1C(Nc2ccccc2C1=O)c1ccc2OCOc2c1
COC(=O)CN1C(Nc2ccccc2C1=O)c1ccccc1
COC(=O)CNC(=O)c1ccccc1N
NNC(=O)CCN1C(Nc2ccccc2C1=O)c1ccc2OCOc2c1
NNC(=O)CCN1C(Nc2ccccc2C1=O)c1ccccc1
NNC(=O)CCCN1C(Nc2ccccc2C1=O)c1ccccc1
NNC(=O)CCN1C(Nc2ccccc2C1=O)c1ccc(Cl)cc1
NNC(=O)CCCN1C(Nc2ccccc2C1=O)c1ccco1
NNC(=O)CCCN1C(Nc2ccccc2C1=O)c1ccc2OCOc2c1
COC(=O)CCCCCNC(=O)c1ccccc1\N=C\c1ccccc1
C[C@H](Cc1ccc(NCc2cc(Cl)ccc2O)cc1)N(C)CC#C |r|
C[C@H](Cc1ccc(NCc2cc(ccc2O)N(C)C)cc1)N(C)CC#C |r|
COc1ccc(O)c(CNc2ccc(C[C@@H](C)N(C)CC#C)cc2)c1 |r|
COc1ccc(CNc2ccc(C[C@@H](C)N(C)CC#C)cc2)c(O)c1 |r|
COc1cccc(CNc2ccc(C[C@@H](C)N(C)CC#C)cc2)c1O |r|
C[C@H](Cc1ccc(NCc2ccccc2O)cc1)N(C)CC#C |r|
C[C@H](Cc1ccc(NCc2ncccc2C)cc1)N(C)CC#C |r|
COc1cccnc1CNc1ccc(C[C@@H](C)N(C)CC#C)cc1 |r|
C[C@H](Cc1ccc(NCc2cc(F)ccc2O)cc1)N(C)CC#C |r|
C[C@H](Cc1ccc(NCc2cc(ccc2O)[N+]([O-])=O)cc1)N(C)CC#C |r|
C[C@H](Cc1ccc(NCc2cc(O)ccc2O)cc1)N(C)CC#C |r|
CN(C)c1ccc(cc1)\N=N\c1ccccn1
CN(C)c1ccc(cc1)\N=C\c1ccccn1
CN(CC#C)c1nc2nc(CCC3CCN(Cc4ccccc4)CC3)ccc2c(-c2ccccc2)c1C#N
CN(Cc1ccc(cc1)C(=O)NC1CC(C)(C)N([O])C(C)(C)C1)C#C |^1:18|
CN(Cc1ccc(CC(=O)NC2CC(C)(C)N([O])C(C)(C)C2)cc1)C#C |^1:17|
C(CCCCn1c2ccccc2c2ccncc12)CCCCn1c2ccccc2c2ccncc12
C[n+]1ccc2c(c1)n(CCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21
CN1CCc2c(C1)n(CCCCCCCCCn1c3CN(C)CCc3c3ccccc13)c1ccccc21
C(CCCn1c2ccccc2c2cnccc12)CCn1c2ccccc2c2cnccc12
C(CCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12
C(CCCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12
C(CCCCn1c2ccccc2c2cnccc12)CCCCn1c2ccccc2c2cnccc12
COc1ccc2n(CCCCCCCCCn3c4ccncc4c4cc(OC)ccc34)c3ccncc3c2c1
C[n+]1ccc2n(CCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
C[n+]1ccc2n(CCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
C[n+]1ccc2n(CCCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
C[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
COc1ccc2n(CCCCCCCCCn3c4ccc(OC)cc4c4c[n+](C)ccc34)c3cc[n+](C)cc3c2c1
CC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CC)ccc34)c3ccccc3c2c1
OCC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CCO)ccc34)c3ccccc3c2c1
CCC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CCC)ccc34)c3ccccc3c2c1
CN1CCc2c(C1)c1ccccc1n2CCCCCCn1c2CCN(C)Cc2c2ccccc12
CN1CCc2c(C1)c1ccccc1n2CCCCCCCn1c2CCN(C)Cc2c2ccccc12
CN1CCc2c(C1)c1ccccc1n2CCCCCCCCn1c2CCN(C)Cc2c2ccccc12
CN1CCc2c(C1)c1ccccc1n2CCCCCCCCCn1c2CCN(C)Cc2c2ccccc12
COc1ccc2n(CCCCCCCCCn3c4CCN(C)Cc4c4cc(OC)ccc34)c3CCN(C)Cc3c2c1
COc1ccc(cc1)C(=O)\C=C\c1cccc(c1)C(F)(F)F
COc1cccc(c1)C(=O)\C=C\c1ccccc1C(F)(F)F
COc1cccc(c1)C(=O)\C=C\c1ccccc1
COc1ccccc1C(=O)\C=C\c1ccccc1C(F)(F)F
COc1ccccc1C(=O)\C=C\c1ccccc1
COc1ccc(OC(=O)\C=C\c2ccccc2Cl)cc1
COc1ccc(OC(=O)\C=C\c2ccccc2C(F)(F)F)cc1
FC(F)(F)c1ccccc1\C=C\C(=O)Oc1ccccc1
Fc1ccc(NC(=O)\C=C\c2ccc(cc2)C(F)(F)F)cc1
Fc1ccccc1NC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Fc1cccc(NC(=O)\C=C\c2ccc(cc2)C(F)(F)F)c1
Fc1cccc(NC(=O)\C=C\c2cccc(c2)C(F)(F)F)c1
Fc1cccc(NC(=O)\C=C\c2ccccc2C(F)(F)F)c1
Oc1cccc(NC(=O)\C=C\c2ccccc2Cl)c1
Oc1cccc(NC(=O)\C=C\c2ccccc2C(F)(F)F)c1
Oc1ccc(NC(=O)\C=C\c2ccccc2Cl)cc1
Oc1ccc(NC(=O)\C=C\c2ccccc2C(F)(F)F)cc1
COc1ccc(NC(=O)\C=C\c2ccccc2Cl)cc1
COc1ccc(NC(=O)\C=C\c2ccccc2C(F)(F)F)cc1
Clc1ccccc1\C=C\C(=O)Nc1ccccc1
FC(F)(F)c1ccccc1\C=C\C(=O)Nc1ccccc1
COc1ccccc1\C=C\C(=O)c1ccc(O)cc1
Oc1ccc(cc1)C(=O)\C=C\c1ccccc1C(F)(F)F
Oc1ccc(cc1)C(=O)\C=C\c1ccccc1
COc1ccc(\C=C\C(=O)c2ccc(OC)cc2)cc1
COc1ccc(cc1)C(=O)\C=C\c1cccc(OC)c1
COc1ccc(cc1)C(=O)\C=C\c1ccccc1OC
COc1ccc(cc1)C(=O)\C=C\c1ccccc1Cl
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3c(OC)cccc3oc2=O)cc1
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cccc(C)c3oc2=O)cc1
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3ccc(C)cc3oc2=O)cc1
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cc(C)ccc3oc2=O)cc1
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3ccc(Cl)cc3oc2=O)cc1
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cc(F)ccc3oc2=O)cc1
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3ccccc3oc2=O)cc1
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cccc(OC)c3oc2=O)cc1
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3ccc(OC)cc3oc2=O)cc1
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cc(OC)ccc3oc2=O)cc1
CCOc1ccc2cc(C(=O)\C=C\c3c(OC)cc(OC)cc3\C=C\c3ccc(OC)cc3)c(=O)oc2c1
CCOc1cccc2cc(C(=O)\C=C\c3c(OC)cc(OC)cc3\C=C\c3ccc(OC)cc3)c(=O)oc12
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cc(Br)ccc3oc2=O)cc1
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3ccc(Br)cc3oc2=O)cc1
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cccc(Br)c3oc2=O)cc1
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cc(Cl)ccc3oc2=O)cc1
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3c(OC)cc(OC)cc3oc2=O)cc1
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cc(Br)cc(OC)c3oc2=O)cc1
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cc(CC=C)cc(OC)c3oc2=O)cc1
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3ccc(cc3oc2=O)N(C)C)cc1
FC(F)(F)c1ccc(\C=C\C(=O)c2ccc(Cl)s2)cc1
Clc1cccc(\C=C\C(=O)c2ccc[nH]2)c1
Cc1ccc(s1)C(=O)\C=C\c1ccc(F)c(Br)c1
Fc1ccc(\C=C\C(=O)c2ccc(Cl)s2)cc1Br
COc1ccc(C(=O)\C=C\c2ccc(Cl)s2)c(O)c1
Fc1ccc(\C=C\C(=O)c2ccc[nH]2)cc1Br
N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccccc1
Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
FC(F)(F)Oc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
FC(F)(F)c1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Clc1cccc(COc2ccc3sc(=O)oc3c2)c1
Clc1ccc(COc2ccc3sc(=O)oc3c2)cc1
Cc1ccc(COc2ccc3sc(=O)oc3c2)cc1
O=c1oc2cc(OCCCc3ccccc3)ccc2s1
O=C1OCc2cc(OCc3ccccc3)ccc12
c1cc2c(cc1O)OC(=O)S2
O=c1ccc2ccc(OCCNC3CCN(Cc4ccccc4)CC3)cc2o1
O=c1ccc2ccc(OCCCNC3CCN(Cc4ccccc4)CC3)cc2o1
O=c1ccc2ccc(OCCNCCC3CCN(Cc4ccccc4)CC3)cc2o1
Cc1cc(=O)oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc12
Clc1cc(=O)oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc12
COc1cc(=O)oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc12
CCOc1cc(=O)oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc12
FC(F)(F)c1cc(=O)oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc12
O=c1cc(-c2ccccc2)c2ccc(OCCNC3CCN(Cc4ccccc4)CC3)cc2o1
Cc1cc2ccc(OCCNC3CCN(Cc4ccccc4)CC3)cc2oc1=O
Cc1c(C)c(=O)oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc12
Cc1c(Cl)c(=O)oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc12
O=c1oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc2c2CCCCc12
Cc1cc(=O)oc2cc(CNC3CCN(Cc4ccccc4)CC3)ccc12
Cc1cc(=O)oc2cc(CNCCC3CCN(Cc4ccccc4)CC3)ccc12
CC(=O)N1N=C(OC1c1ccc(Cl)c(Cl)c1)c1ccncc1 |c:4|
COc1ccc(cc1)C1=NN(C(O1)c1ccc(Cl)c(Cl)c1)C(C)=O |t:9|
CC(=O)N1N=C(OC1c1ccc(Cl)c(Cl)c1)c1ccc(C)cc1 |c:4|
CC(=O)N1N=C(OC1c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 |c:4|
CC(=O)N1N=C(OC1c1ccc(Cl)c(Cl)c1)c1ccc(cc1)[N+]([O-])=O |c:4|
CC(=O)N1N=C(OC1c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 |c:4|
CC(=O)N1N=C(OC1c1ccc(Cl)c(Cl)c1)c1ccccc1C |c:4|
CC(=O)N1N=C(O[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(cc1)[N+]([O-])=O |r,c:4|
CC(=O)N1N=C(O[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(cc1)[N+]([O-])=O |r,c:4|
CC(=O)N1N=C(O[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 |r,c:4|
O=C1COc2ccccc2C2CC(=NN12)c1ccccc1 |c:13|
CC(C)c1ccc(cc1)C1=NN2C(C1)c1ccccc1OCC2=O |t:10|
Fc1ccc(cc1)C1=NN2C(C1)c1ccccc1OCC2=O |t:8|
Clc1ccccc1C1=NN2C(C1)c1ccccc1OCC2=O |t:8|
COc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O |t:9|
Cc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O |t:8|
Clc1ccc2OCC(=O)N3N=C(CC3c2c1)c1ccccc1 |c:10|
Clc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O |t:8|
Fc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O |t:8|
Fc1ccccc1C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O |t:8|
COc1ccc(cc1)C1=NN2C(C1)c1cc(Br)cc(Br)c1OCC2=O |t:9|
CC1Oc2ccccc2C2CC(=NN2C1=O)c1ccc(C)cc1 |c:12|
CC1Oc2ccccc2C2CC(=NN2C1=O)c1ccccc1 |c:12|
CC1Oc2ccccc2C2CC(=NN2C1=O)c1ccc(Cl)cc1 |c:12|
CC1Oc2ccccc2C2CC(=NN2C1=O)c1ccccc1Cl |c:12|
CC1Oc2ccccc2C2CC(=NN2C1=O)c1ccc(F)cc1 |c:12|
CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)COCCOCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
CNNCCCC(NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
FC(F)(F)Oc1cccc(c1)C(=O)\C=C\c1cccc2OCOc12
CS(=O)(=O)c1ccc(cc1)C(=O)\C=C\c1cccc2OCOc12
COc1cccc(\C=C\C(=O)c2cccc(c2)C(F)(F)F)c1OC
COc1cccc(\C=C\C(=O)c2ccc(cc2)S(C)(=O)=O)c1OC
FC(F)(F)c1cccc(c1)C(=O)\C=C\c1cccc2OCOc12
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@H]1C[C@@H]1N
N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)-c2ccoc2)cc1
N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc(NC(=O)OCc3ccccc3)c2)cc1
N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)N2CCOCC2)cc1
N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc(c2)N2CCOC2=O)cc1
N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)N2CCOC2=O)cc1
CN1CCC(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N
N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(N3CCOCC3)c(NC(=O)OCc3ccccc3)c2)cc1
N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(NC(=O)OCc3ccccc3)c(c2)N2CCOCC2)cc1
CN1CCN(CC1)c1ccc(cc1NC(=O)OCc1ccccc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N
N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(N3CCCCC3)c(NC(=O)OCc3ccccc3)c2)cc1
COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)C(N)=N |t:10|
COc1cc(ccc1O)C1=NNC(C1)c1ccccc1 |t:10|
COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)C(=O)c1ccccc1 |t:10|
COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)C(=S)Nc1ccccc1 |t:10|
COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 |t:10|
COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)C(=O)Oc1ccccc1 |t:10|
CCOC(=O)N1N=C(CC1c1ccccc1)c1ccc(O)c(OC)c1 |c:6|
COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)c1ccccc1 |t:10|
COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)C(C)=O |t:10|
COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)C(N)=S |t:10|
Cc1ncc(NC(=O)c2cccc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1 |r|
C(N[C@@H]1C[C@H]1c1ccccc1)C1CCNCC1 |r|
C(N[C@@H]1C[C@H]1c1ccccc1)C1CCN(Cc2ccccc2)CC1 |r|
CN1CCC(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r|
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@]1(N)CCc1ccccc1 |r|
CN(C)c1ccc(\C=C2/Oc3cc(O)cc(O)c3C2=O)cc1
CCN(C)c1ccc(\C=C2/Oc3cc(O)cc(O)c3C2=O)cc1
CCN(CC)c1ccc(\C=C2/Oc3cc(O)cc(O)c3C2=O)cc1
Oc1cc2O\C(=C/c3ccc(cc3)N3CCCC3)C(=O)c2c(O)c1
Oc1cc2O\C(=C/c3ccc(cc3)N3CCOCC3)C(=O)c2c(O)c1
CN1CCN(CC1)c1ccc(\C=C2/Oc3cc(O)cc(O)c3C2=O)cc1
COc1cc2O\C(=C/c3ccc(cc3)N3CCOCC3)C(=O)c2c(O)c1
CN(C)c1ccc(\C=C2/COc3cc(Cl)cc(Cl)c3C2=O)cn1
O=C1\C(COc2ccccc12)=C\c1c[nH]c2ccccc12
O=C1\C(COc2ccccc12)=C\c1ccc[nH]1
O=C1\C(COc2ccccc12)=C\c1c[nH]cn1
Clc1cc(Cl)c2C(=O)\C(COc2c1)=C\c1c[nH]cn1
COc1ccc2C(=O)\C(COc2c1)=C\c1c[nH]cn1
O=C1\C(COc2ccccc12)=C\c1ccco1
O=C1\C(COc2ccccc12)=C\c1cccs1
O=C1\C(COc2ccccc12)=C\c1ccsc1
CN(C)c1ccc(\C=C2/COc3ccccc3C2=O)cn1
Nc1ccc(\C=C2/COc3ccccc3C2=O)cn1
O=C1\C(COc2ccccc12)=C\c1cccnc1
O=C1\C(COc2ccccc12)=C\c1ccncc1
O=C1\C(COc2ccccc12)=C\c1ccccn1
COc1ccc2C(=O)\C(COc2c1)=C\c1cnc(nc1)N(C)C
CN(C)c1ncc(\C=C2/COc3cc(Cl)cc(Cl)c3C2=O)cn1
CN(C)c1ncc(\C=C2/COc3ccccc3C2=O)cn1
Nc1ncc(\C=C2/COc3ccccc3C2=O)cn1
Oc1ccc2C(=O)\C(Cc2c1)=C\c1cccc(Cl)c1
Cc1ccc(\C=C2/Cc3cc(O)ccc3C2=O)cc1
CN(C)c1ccc(\C=C2/Cc3cc(O)ccc3C2=O)cc1
COc1ccc2O\C(=C/c3ccccc3OC)C(=O)c2c1
COc1cccc(\C=C2/Cc3cc(O)ccc3C2=O)c1
Oc1ccc2C(=O)\C(Cc2c1)=C\c1cccc(Br)c1
Oc1ccc2C(=O)\C(Cc2c1)=C\c1cccc(c1)C#N
Oc1ccc2C(=O)\C(Cc2c1)=C\c1cccc(O)c1
Oc1ccc(\C=C2/Cc3cc(O)ccc3C2=O)cc1
CC(C)c1ccc(\C=C2/Cc3cc(O)ccc3C2=O)cc1
O=C1\C(Cc2ccccc12)=C\c1ccccc1
COc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(cc1)N(C)C
Oc1ccc2C(=O)\C(Cc2c1)=C\c1ccccc1
Oc1ccc2C\C(=C/c3ccccc3)C(=O)c2c1
Oc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(Cl)cc1
Cc1cccc(\C=C2/Cc3cc(O)ccc3C2=O)c1
Oc1ccc2C(=O)\C(Cc2c1)=C\c1cccc(F)c1
COc1ccc2C(=O)\C(Cc2c1)=C\c1ccccc1
Oc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(Cl)c(Cl)c1
Oc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(cc1)C#N
CN(C)c1ccc(\C=C2/Cc3ccccc3C2=O)cc1
Oc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(F)cc1
Oc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(Br)cc1
Oc1ccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)c(O)c1
COc1cc(\C=C\C(=O)Nc2cccc(CN(C)Cc3ccccc3)c2)ccc1O
Oc1ccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1O
COc1ccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)c(OC)c1
Oc1cccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)c1
Oc1ccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1
COc1cccc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)c1
CN(Cc1ccccc1)Cc1ccc(NC(=O)\C=C\c2ccc(O)cc2)cc1
COc1ccc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)c(OC)c1
COc1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)ccc1O
COc1ccc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1
COc1cccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)c1
Oc1cccc2ccc(CN(CC#C)C(C#N)C3CCN(Cc4ccccc4)CC3)nc12
Oc1cccc2ccc(CN(CC#C)CC3CCN(Cc4ccccc4)CC3)nc12
Oc1cccc2ccc(CN(CC#C)C(CCC3CCN(Cc4ccccc4)CC3)C#N)nc12
Oc1cccc2ccc(CN(CC#C)C(CC3CCN(Cc4ccccc4)CC3)C#N)nc12
Oc1cccc2ccc(CN(CCC3CCN(Cc4ccccc4)CC3)CC#C)nc12
Oc1cccc2ccc(CN(CCCC3CCN(Cc4ccccc4)CC3)CC#C)nc12
Clc1ccc(COc2ccc3C(=O)OCc3c2)cc1
CC(=O)c1ccc(OCc2ccc(F)cc2)cc1O
CC(=O)c1cccc(OCc2ccc(Cl)cc2)c1
CC(=O)c1ccc(OCc2cccc(F)c2)cc1F
CC(=O)c1ccc(OCc2ccc(F)cc2)cc1F
CC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1F
CC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1O
CC(=O)c1cccc(OCc2ccc(Br)cc2)c1
CC(=O)c1ccc(OCc2cccc(Cl)c2)cc1O
Fc1ccc(COc2ccc3C(=O)CCOc3c2)cc1
Clc1ccc(COc2ccc3C(=O)CCOc3c2)cc1
FC(F)(F)c1ccc(COc2ccc3C(=O)OCc3c2)cc1
CC1(C)CC(=O)c2ccc(OCc3ccc(F)cc3)cc2O1
CC(=O)c1ccc(OCc2cccc(Cl)c2)cc1
CC(=O)c1ccc(OCc2cccc(Cl)c2)cc1F
CC1(C)CC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2O1
Fc1ccc(COc2ccc3C(=O)OCc3c2)cc1
CC(=O)c1ccc(OCc2ccc(F)cc2)cc1
COCCN(C[C@H]1CCCN(C1)CC#C)C(=O)c2ccc3ccccc3c2
COCCN(CC1CCN(CC#C)CC1)S(=O)(=O)c1ccc2ccccc2c1
O=S(=O)(NCC1CCCN(CC#C)C1)c1ccc2ccccc2c1
COCCCN(CC1CCCN(CC#C)C1)C(=O)c1ccc2ccccc2c1
O=C(NCC1CCN(CC#C)CC1)c1ccc2ccccc2c1
COCCN(CC1CCCN(CC#C)C1)S(=O)(=O)c1ccc2ccccc2c1
O=S(=O)(NCC1CCN(CC#C)CC1)c1ccc2ccccc2c1
COCCCN(CC1CCN(CC#C)CC1)C(=O)c1ccc2ccccc2c1
O=C(NCC1CCCN(CC#C)C1)c1ccc2ccccc2c1
COCCCN(CC1CCN(CC#C)CC1)S(=O)(=O)c1ccc2ccccc2c1
COCCN(CC1CCN(CC#C)CC1)C(=O)c1ccc2ccccc2c1
COCCCN(CC1CCCN(CC#C)C1)S(=O)(=O)c1ccc2ccccc2c1
CCN(CC)Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O
COc1cc2OC\C(=C/c3cccc(O)c3)C(=O)c2cc1OC
COc1cc2OC\C(=C/c3ccc(CN4CCN(C)CC4)c(O)c3)C(=O)c2cc1OC
COc1ccccc1CN(C)Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O
COc1cc2OC\C(=C/c3ccc(CN(C)C)c(O)c3)C(=O)c2cc1OC
COc1cc2OC\C(=C/c3ccc(CN4CCCC4)c(O)c3)C(=O)c2cc1OC
COc1cc2OC\C(=C/c3ccc(CN4CCCCC4)c(O)c3)C(=O)c2cc1OC
CCN(Cc1ccccc1)Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O
CCN(Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1N(C)C
COc1cc2OC\C(=C/c3ccc(O)c(CN4CCCCC4)c3)C(=O)c2cc1OC
COc1cc2OC\C(=C/c3ccc(CN4CCOCC4)c(O)c3)C(=O)c2cc1OC
CCN(Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1OC
COc1cc2OC\C(=C/c3ccc(CN(C)Cc4ccccc4)c(O)c3)C(=O)c2cc1OC
CN(C)C(=O)Oc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1
Oc1cc(OC(=O)N2CCCC2)ccc1C(=O)\C=C\c1ccc(cc1)N1CCOCC1
CCN(CC)C(=O)Oc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1
CCN(C)C(=O)Oc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1
Oc1cc(OC(=O)N2CCCC2)ccc1C(=O)\C=C\c1ccc(cc1)N1CCCCC1
CCN(CC)c1ccc(\C=C\C(=O)c2ccc(OC(=O)N3CCCC3)cc2O)cc1
CN(C)c1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Oc1cc(OC(=O)N2CCCC2)ccc1C(=O)\C=C\c1ccc(cc1)N1CCCC1
CN(CCCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccccc1
COc1ccccc1CN(C)CCCCOc1cc(O)c2c(c1)sc1ccccc1c2=O
CCN(CCCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccccc1OC
CCN(CCCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccccc1N(C)C
CN(CCCCCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccccc1
CCN(CCCCCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccccc1
COc1ccccc1CN(C)CCCCCCOc1cc(O)c2c(c1)sc1ccccc1c2=O
CCN(CCCCCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccccc1N(C)C
CCN(CCCCCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccc(cc1)N(C)C
CCN(CCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccccc1N(C)C
CCN(CCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccc(cc1)N(C)C
CN(CCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccccc1
CCN(CCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccccc1
COc1ccccc1CN(C)CCCOc1cc(O)c2c(c1)sc1ccccc1c2=O
CCN(CCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccccc1OC
CCN(CCCCCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccccc1OC
Oc1cc(O)c2c(c1)sc1ccccc1c2=O
CCN(CCCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccccc1
CCN(CCCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccc(cc1)N(C)C
Cn1ncc2cc(ccc12)C(=O)Nc1ccc(F)c(Cl)c1
Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(Cl)c1
Cn1ncc2cc(ccc12)C(=O)Nc1ccc(F)c(F)c1
Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(F)c1
Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O
CCCCCC1OC(=O)c2cc(ccc12)N1N=C(C)CC1=O |t:18|
CCCCCCC1OC(=O)c2cc(ccc12)N1N=C(C)CC1=O |t:19|
CCCCCCCC1OC(=O)c2cc(ccc12)N1N=C(C)CC1=O |t:20|
CCCCCC1OC(=O)c2cc(ccc12)-n1nc(cc1O)C(F)(F)F
CCCCCCC1OC(=O)c2cc(ccc12)-n1nc(cc1O)C(F)(F)F
CCCCC1OC(=O)c2cc(ccc12)N1N=C(C)CC1=O |t:17|
CCCCC1OC(=O)c2cc(ccc12)-n1nc(cc1O)C(F)(F)F
CCCCCCCC1OC(=O)c2cc(ccc12)-n1nc(cc1O)C(F)(F)F
Cn1c(cc2sccc12)C(=O)Nc1cccc(COc2ccc(OC3CCNCC3)cc2)c1
Cn1c2ccsc2cc1C(=O)Nc3cccc(c3)COC
CC(=O)c1ccc(CN2CCC3(C2)CCNCC3)cc1
CN1CCC(CC1)Oc1ccc(OCc2cccc(NC(=O)c3cc4sccc4n3C)c2)cc1
COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@@H]2CCNC2)cc1 |r|
CCn1c2ccsc2cc1C(=O)Nc3cccc(c3COc4ccc(cc4)OC[C@@H]5CCNC5)COC
CCOCc1cccc(c1COc2ccc(cc2)OC[C@@H]3CCNC3)NC(=O)c4cc5c(n4C)ccs5
Clc1cccc(c1)C(=O)Nc1ccc(cc1)C1=NNC(=O)CO1 |t:18|
Clc1cccc(NC(=O)Nc2ccc(cc2)C2=NNC(=O)CO2)c1 |t:17|
Clc1cccc(CNc2ccc(cc2)C2=NNC(=O)CO2)c1 |t:15|
Clc1cccc(c1)\N=N\c1ccc(cc1)C1=NNC(=O)CO1 |t:17|
Clc1cccc(\C=C\c2ccc(cc2)C2=NNC(=O)CO2)c1 |t:15|
Clc1cccc(NC(=O)c2ccc(cc2)C2=NNC(=O)CO2)c1 |t:16|
Clc1cccc(N\N=C\c2ccc(cc2)C2=NNC(=O)CO2)c1 |t:16|
Clc1cccc(c1)C(=O)Nc1ccc(cc1)C1=NN(CCC#N)C(=O)CO1 |t:18|
NC(=O)CN1N=C(OCC1=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 |c:5|
CCN1N=C(OCC1=O)c1ccc(\C=C\c2cccc(Cl)c2)cc1 |c:3|
Clc1ccc(cc1)\N=N\c1ccc(cc1)C1=NNC(=O)CO1 |t:17|
Clc1ccc(\C=C\c2ccc(cc2)C2=NNC(=O)CO2)cc1 |t:14|
O=C1COC(=NN1)c1ccc(cc1)\N=N\c1ccccc1 |c:4|
Fc1cccc(c1)\N=N\c1ccc(cc1)C1=NNC(=O)CO1 |t:17|
O=C1COC(=NN1)c1ccc(\C=C\c2ccccc2)cc1 |c:4|
Fc1cccc(\C=C\c2ccc(cc2)C2=NNC(=O)CO2)c1 |t:15|
Cc1cccc(\C=C\c2ccc(cc2)C2=NNC(=O)CO2)c1 |t:15|
Fc1cccc(\C=N\c2ccc(cc2)C2=NNC(=O)CO2)c1 |t:15|
Cc1cccc(\C=N\c2ccc(cc2)C2=NNC(=O)CO2)c1 |t:15|
Clc1cccc(\C=N\c2ccc(cc2)C2=NNC(=O)CO2)c1 |t:15|
Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)C1=NNC(=O)CO1 |t:19|
Clc1ccc(\C=N\c2ccc(cc2)C2=NNC(=O)CO2)cc1 |t:14|
CN1N=C(OCC1=O)c1ccc(cc1)\N=C\c1cccc(Cl)c1 |c:2|
O=C1COC(=NN1)c1ccc(cc1)\N=C\c1ccccc1 |c:4|
Cc1cccc(c1)\N=N\c1ccc(cc1)C1=NNC(=O)CO1 |t:17|
Clc1cccc(c1)\N=C\c1ccc(cc1)C1=NNC(=O)CO1 |t:17|