6170 SMILES Strings for Amine oxidase [flavin-containing] A

Compound Name
SMILES String
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)-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|
N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccccc1O |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,)|
CS(=O)(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:14.16,wD:12.12,(9.54,3.69,;8.21,4.46,;9.3,5.55,;7.44,3.13,;6.87,5.23,;5.54,4.46,;5.54,2.92,;4.21,2.15,;2.87,2.92,;2.87,4.46,;4.21,5.23,;1.54,2.15,;.21,2.92,;-.56,4.25,;-1.33,2.92,;-2.67,2.15,;-4,2.92,;-5.33,2.15,;-5.33,.61,;-4,-.16,;-2.67,.61,;-6.67,-.16,;-8,.61,;-9.34,-.16,;-9.34,-1.7,;-8,-2.52,;-6.67,-1.7,;-8,-4.06,;-8,-5.6,;-9.54,-4.06,;-6.46,-4.06,)|
N[C@@H]1CCN(C1)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:15.18,wD:13.14,1.0,(7.15,4.37,;6.38,3.04,;7.29,1.79,;6.38,.54,;4.92,1.02,;4.92,2.56,;3.59,.25,;3.59,-1.29,;2.25,-2.06,;.92,-1.29,;.92,.25,;2.25,1.02,;-.41,-2.06,;-1.75,-1.29,;-2.52,.04,;-3.29,-1.29,;-4.62,-2.06,;-4.62,-3.6,;-5.96,-4.37,;-7.29,-3.6,;-7.29,-2.06,;-5.96,-1.29,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1cncs1 |r,wU:10.12,wD:8.8,(5.92,2,;4.58,1.23,;4.58,-.31,;3.25,-1.08,;1.91,-.31,;1.91,1.23,;3.25,2,;.58,-1.08,;-.75,-.31,;-1.52,1.03,;-2.29,-.31,;-3.63,-1.08,;-5.09,-.6,;-6,-1.85,;-5.09,-3.09,;-3.63,-2.62,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1cccnc1 |r,wU:10.12,wD:8.8,(6.06,2.15,;4.73,1.38,;4.73,-.16,;3.4,-.93,;2.06,-.16,;2.06,1.38,;3.4,2.15,;.73,-.93,;-.6,-.16,;-1.37,1.17,;-2.14,-.16,;-3.48,-.93,;-4.81,-.16,;-6.14,-.93,;-6.14,-2.47,;-4.81,-3.24,;-3.48,-2.47,)|
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,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 |r,wU:10.12,wD:8.8,(9.44,3.42,;8.11,2.65,;8.11,1.11,;6.77,.34,;5.44,1.11,;5.44,2.65,;6.77,3.42,;4.1,.34,;2.77,1.11,;2,2.44,;1.23,1.11,;-.1,.34,;-.1,-1.2,;-1.44,-1.97,;-2.77,-1.2,;-4.1,-1.97,;-5.44,-1.2,;-6.77,-1.97,;-8.11,-1.2,;-9.44,-1.97,;-9.44,-3.51,;-8.11,-4.28,;-6.77,-3.51,;-2.77,.34,;-1.44,1.11,)|
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,)|
NC1CC(N[C@H]2C[C@@H]2c2ccccc2)c2ccccc12 |r|
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,)|
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N[C@@H]1CCN(C1)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:15.18,wD:13.14,1.0,(10.17,5.25,;9.4,3.92,;9.87,2.45,;8.63,1.55,;7.38,2.45,;7.86,3.92,;6.05,1.68,;6.05,.14,;4.71,-.63,;3.38,.14,;3.38,1.68,;4.71,2.45,;2.04,-.63,;.71,.14,;-.06,1.47,;-.83,.14,;-2.16,-.63,;-2.16,-2.17,;-3.5,-2.94,;-4.83,-2.17,;-4.83,-.63,;-3.5,.14,;-6.16,-2.94,;-6.16,-4.48,;-7.5,-5.25,;-8.83,-4.48,;-8.83,-2.94,;-7.5,-2.17,;-10.17,-2.17,;-11.71,-2.17,;-10.17,-.63,;-9.08,-1.08,)|
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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:10.12,1.0,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,)|
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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
C[N@](CCCOc1ccc(cc1Cl)Cl)CC#C
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
CCN(C)C(=O)Oc1ccc2CCCC(N)c2c1
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|
c1ccc2c(c1)C(=O)C(=O)N2
[#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
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|
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|
Oc1ccc(C(=O)\C=C\c2ccc(Cl)cc2)c(O)c1
CC(C)NNC(=O)c1ccncc1
[#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]-[#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
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(Cl)cc2)c(-[#8])c1
Clc1ccc(\C=C\C(=O)c2ccc(OCc3ccccc3)cc2)cc1
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
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
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
CN(CC#C)Cc1ccc(OC(=O)N(C)C)c2ncccc12
CCN(C)C(=O)Oc1ccc(CN(C)CC#C)c2cccnc12
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|
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)\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|
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
NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)COc2ccccc2)cc1
NC1CC1c1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)COc2ccccc2)cc1
NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)cc1
CN(C(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc(cc1)C1CC1N
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
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(CC#C)Cc1ccc(O)c2ncccc12
CN(CCc1ccc(O)c2ncccc12)CC#C
CN(CCCc1ccc(O)c2ncccc12)CC#C
COc1ccc(CN(C)CC#C)c2cccnc12
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=C1C=CC(=O)c2ccccc12 |c:2|
COC1=CC(=O)c2ccccc2C1=O |t:2|
CC1=CC(=O)c2ccccc2C1=O
ClC1=C(Cl)C(=O)c2ccccc2C1=O |c:1|
OCCCCOC1=C(Cl)C(=O)c2ccccc2C1=O |c:6|
c1cc2c(c(c1)O)C(=O)C=CC2=O
CC1=CC(=O)c2c(cccc2O)C1=O
c1cc(c2c(c1O)C(=O)C=CC2=O)O
[#6]\[#6](-[#6])=[#6]\[#6]-[#6](-[#8])-[#6]-1=[#6]-[#6](=O)-c2c(-[#8])ccc(-[#8])c2-[#6]-1=O |t:7|
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\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
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
Fc1ccc(NC(=O)CCc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
O=c1cc(oc2ccc(Cn3nncc3COc3ccccc3)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
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)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
CC(Cc1ccccc1)N(C)CC#C
CN(CC(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
CC(Nc1cc(Cl)ccc1O)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1
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|
NCc1ccc(s1)S(=O)(=O)c1ccc2ccccc2c1
NCc1ccc(s1)S(=O)(=O)c1cccc2ccccc12
NCc1ccc(s1)S(=O)(=O)c1ccccc1
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
NCc1ccc(s1)S(=O)c1ccccc1
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
CC(C)(C)NC(=O)c1ccc(OC\C(CN)=C\F)cc1
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(COc1cnc2C(=O)NCCc2c1)=C/F
NC\C(COc1ccc2C(=O)N(Cc2c1)C1CC1)=C/F
NC\C(COc1cc2CN(C3CC3)C(=O)c2cn1)=C/F
NC\C(COc1ccc2C(=O)N(CCc2n1)C1CC1)=C\F
NC\C(COc1ccc2C(=O)N(Cc2n1)C1CC1)=C/F
NC\C(COc1ccc2C(=O)N(Cc2n1)C1CC1)=C\F
NC\C(COc1ccc2C(=O)N(CCc2n1)C1CC1)=C/F
NC\C(COc1cnc2C(=O)N(Cc2c1)C1CC1)=C/F
NC\C(COc1cnc2C(=O)N(Cc2c1)C1CC1)=C\F
NC\C(COc1ccc2C(=O)N(Cc2c1)C1CC1)=C\F
NC\C(COc1ccc2C(=O)N(C3CC3)C(=O)c2c1)=C/F
NC\C(COc1cc2CCN(C3CC3)C(=O)c2cn1)=C\F
NC\C(COc1cc2CN(C3CC3)C(=O)c2cn1)=C\F
NC\C(COc1ccc2C(=O)N(CCc2c1)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(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
CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2
CCN(CC)CCCOc1ccc2CCC(=O)Nc2c1
CC(C)N1CCN(CCCOc2ccc3CCC(=O)Nc3c2)CC1
O=C1CCc2ccc(OCCCN3CCC(CC3)N3CCCC3)cc2N1
O=C1CCc2ccc(OCCCN3CCN(Cc4ccccc4)CC3)cc2N1
O=C1CCc2ccc(OCCCN3CCc4ccccc4C3)cc2N1
O=C1CCc2ccc(OCCCCN3CCCCC3)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(OCCCCCN3CCCCC3)cc2N1
CCN(CC)CCCCCOc1ccc2CCC(=O)Nc2c1
CC(C)N1CCN(CCCCCOc2ccc3CCC(=O)Nc3c2)CC1
O=C1CCc2ccc(OCCCCCN3CCN(Cc4ccccc4)CC3)cc2N1
O=C1CCc2ccc(OCCCCCN3CCc4ccccc4C3)cc2N1
O=C1CCc2ccc(OCCCCCCN3CCCCC3)cc2N1
CCN(CC)CCCCCCOc1ccc2CCC(=O)Nc2c1
CC(C)N1CCN(CCCCCCOc2ccc3CCC(=O)Nc3c2)CC1
O=C1CCc2ccc(OCCCCCCN3CCC(CC3)N3CCCC3)cc2N1
O=C1CCc2ccc(OCCCCCCN3CCN(Cc4ccccc4)CC3)cc2N1
O=C1CCc2ccc(OCCCCCCN3CCc4ccccc4C3)cc2N1
CCN(CCCCCCOc1ccc2CCC(=O)Nc2c1)Cc1ccccc1
O=C1CCc2ccc(OCCCCCCN3CCCC3)cc2N1
O=C1CCc2ccc(OCCCCCCN3CCC(Cc4ccccc4)CC3)cc2N1
O=C1CCc2ccc(OCCCCCCN3CCN(CC3)c3ccccn3)cc2N1
O=C1CCc2ccc(OCCCCCCN(CC#C)Cc3ccccc3)cc2N1
O=C1CCc2ccc(OCCCN(CC#C)Cc3ccccc3)cc2N1
O=C1CCc2ccc(OCCCN3CCN(CC3)c3ccccn3)cc2N1
O=C1CCc2ccc(OCCCCCN(CC#C)Cc3ccccc3)cc2N1
O=C1CCc2ccc(OCCCN3CCCCC3)cc2N1
O=C1CCc2ccc(OCCCCN(CC#C)Cc3ccccc3)cc2N1
O=C1CCc2ccc(OCCCCN3CCN(CC3)c3ccccn3)cc2N1
O=C1CCc2ccc(OCCCCCN3CCN(CC3)c3ccccn3)cc2N1
Oc1cc(O)cc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3n2CC#C)c1
[O-][N+](=O)c1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3n2CC#C)s1
COc1cccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3n2CC#C)c1OC
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
O=C(N\N=C\c1cccnc1)c1ccc(cc1)-c1nc2ccccc2n1CC#C
Cc1c(Cl)c(=O)oc2cc(OCc3ccccc3)ccc12
Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
FC(F)(F)c1cc(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
Cc1c(C#N)c(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
Cc1c(Cl)c(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
Brc1ccc(CN2CCN(CCOc3ccc4ccc(=O)oc4c3)CC2)cc1
FC(F)(F)c1cc(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Cc1c(C#N)c(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Cc1cc(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
O=c1ccc2ccc(OCCN3CCC(Cc4ccccc4)CC3)cc2o1
Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3Br)ccc12
Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12
Cc1c(C#N)c(=O)oc2cc(OCc3ccc(F)cc3)ccc12
Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Cc1c(Cl)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Brc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3)ccc12
Cc1cc(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
Cc1c(Cl)c(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Br)cc3Br)ccc12
FC(F)(F)c1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Cc1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
O=c1ccc2ccc(OCc3ccccc3)cc2o1
COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O
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|
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(Cl)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(Cl)c2)c1
[O-][N+](=O)\C=C\c1cccc(OCc2cccc(c2)C(F)(F)F)c1
Cc1cccc(COc2cccc(\C=C\[N+]([O-])=O)c2)c1
Cc1cccc(c1)N1CC(CO)OC1=O
[O-][N+](=O)\C=C\c1cccc(OCc2cccc(Br)c2)c1
[O-][N+](=O)\C=C\c1cccc(OCc2cccc(F)c2)c1
[O-][N+](=O)\C=C\c1cccc(OCc2ccc(Br)cc2)c1
CCc1cccc2Oc3ccccc3S(=O)(=O)c12
OC(=O)Cc1cccc2Oc3ccccc3S(=O)(=O)c12
OCC(O)c1cccc2Oc3ccccc3S(=O)(=O)c12
CC(=O)c1cccc2Oc3ccccc3S(=O)(=O)c12
C=Cc1cccc2Oc3ccccc3S(=O)(=O)c12
CC(O)c1cccc2Oc3ccccc3S(=O)(=O)c12
OCCc1cccc2Oc3ccccc3S(=O)(=O)c12
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(CC#C)Cc1ccccc1
O=C1C=CC(=O)C(OCc2ccccc2)=C1 |c:2,15|
O=C1C=CC(=O)C(Cc2ccccc2)=C1 |c:2,14|
c1ccc(cc1)C2=CC(=O)C=CC2=O
C1=CC(=O)C=CC1=O
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,)|
O=C1C=CC(=O)C(=C1)C1CCCC1 |c:2,6|
CC1=C(C)C(=O)c2cc(C)ccc2C1=O |c:1|
Oc1c(Cl)cccc1\N=C\c1coc2ccccc2c1=O
Oc1cc(Cl)ccc1\N=C\c1coc2ccccc2c1=O
Oc1ccc(Cl)cc1\N=C\c1coc2ccccc2c1=O
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
Oc1cccnc1\N=C\c1coc2ccccc2c1=O
Oc1ccc(Cl)cc1\N=C\c1coc2ccc(Br)cc2c1=O
Cc1ccc(O)c(c1)\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
Cc1ccc2occ(\C=N\c3ncccc3O)c(=O)c2c1
Oc1cccnc1\N=C\c1coc2ccc(Br)cc2c1=O
Cc1ccc(\N=C\c2coc3ccccc3c2=O)c(O)c1
Cc1ccc(O)c(c1)\N=C\c1coc2ccccc2c1=O
Oc1ccc(F)cc1\N=C\c1coc2ccccc2c1=O
Oc1ccccc1\N=C\c1coc2ccccc2c1=O
Oc1c(Cl)cccc1\N=C\c1coc2ccc(Br)cc2c1=O
Oc1cc(Cl)ccc1\N=C\c1coc2ccc(Br)cc2c1=O
COc1cccc(COC(=O)c2nn(nc2N)-c2ccccc2)c1
Clc1cccc2nc(NC(=O)c3ccccc3)[nH]c12
COc1cc2C(=O)c3nccc4cc(OC)c(OC)c(-c2cc1OC)c34
C[n+]1cc2c(ccc(c2OC)OC)c3c1c4cc5c(cc4cc3)OCO5
[H][C@]12N(C)Cc3c4OCOc4ccc3[C@@]1(C)[C@@H](O)Cc1cc3OCOc3cc21 |r|
COc1cc2CCN3Cc4c(C[C@@H]3c2cc1O)ccc(OC)c4OC |r|
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|
COc1cc(cc(OC)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O
Oc1ccc(\C=C\c2cc(O)cc3O[C@@H]([C@H](c23)c2ccc(O)cc2O)c2ccc(O)cc2)cc1 |r|
[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-[#6@H]1-[#6]-c2cc3ccc(=O)oc3cc2-[#8]C1([#6])[#6] |r|
COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
c1ccc2c(c1)c3ccncc3[nH]2
ONC(=O)\C=C\c1ccc(CNC2CC2c2ccccc2)cc1
c1ccc(cc1)NC(=O)CCCCCCC(=O)NO
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)[C@@H]2C[C@H]2N
[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
[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@H]2N
[H][C@]12Cc3ccccc3[C@@]1([H])[C@@H]2NCc1cccnc1OC
CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
CC(C)C\C(C)=N/Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
[#6]-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#7]-c1nc(cs1)-c1cccc(c1)-[#7+](-[#8-])=O
C\C(=N\Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O)C1CCCCC1
CCCCCC\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]-[#6]-2)n1
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]-2)n1
[#8-]-[#7+](=O)-c1cccc(c1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)n1
CCCC\C(CC)=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(C)=N/Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
CC\C(C)=N/Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
[#8-]-[#7+](=O)-c1cccc(c1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
C\C(=N/NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1Cc1ccccc1)c1ccc(Cl)cc1 |c:6|
CN1C(C(=O)N\N=C(/C)c2ccc(F)cc2)=C(O)c2ccccc2S1(=O)=O |t:16|
CN1C(C(=O)N\N=C\c2ccccc2)=C(O)c2ccccc2S1(=O)=O |t:14|
CN1C(C(=O)N\N=C(/C)c2ccc(Cl)cc2)=C(O)c2ccccc2S1(=O)=O |t:16|
CCOc1ccc(\C=N\NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)cc1 |c:12|
C\C(=N/NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1)c1ccc(F)cc1 |c:6|
COC(=O)CN1C(=O)c2ccccc2S1(=O)=O
CC(C)c1ccc(\C=N\NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 |c:12|
OC1=C(NS(=O)(=O)c2ccccc12)C(=O)N\N=C\c1ccccc1 |t:1|
CCOc1ccc(\C=N\NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1 |c:12|
CN1C(C(=O)N\N=C\c2cccc(Cl)c2)=C(O)c2ccccc2S1(=O)=O |t:15|
C\C(=N/NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1Cc1ccccc1)c1ccccc1 |c:6|
[#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)c2ccccc2)=C(O)c2ccccc2S1(=O)=O |t:15|
CN1C(C(=O)N\N=C\c2ccccc2O)=C(O)c2ccccc2S1(=O)=O |t:15|
CC(C)c1ccc(\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|
CN1C(C(=O)N\N=C\c2ccc(Cl)cc2)=C(O)c2ccccc2S1(=O)=O |t:15|
COc1ccc(\C=N\NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)cc1 |c:11|
C\C(=N/NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1)c1ccccc1 |c:6|
COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C |c:4|
NNC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1 |c:4|
CN1C(C(=O)NN)=C(O)c2ccccc2S1(=O)=O |t:6|
COc1ccc(\C=N\NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 |c:11|
OC1=C(N(Cc2ccccc2)S(=O)(=O)c2ccccc12)C(=O)N\N=C\c1ccccc1O |t:1|
OC1=C(N(Cc2ccccc2)S(=O)(=O)c2ccccc12)C(=O)N\N=C\c1cccc(Cl)c1 |t:1|
COc1ccc(\C=N\NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1 |c:11|
OC1=C(NS(=O)(=O)c2ccccc12)C(=O)N\N=C\c1ccc(Cl)cc1 |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\c1cccc(Cl)c1 |t:1|
COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1Cc1ccccc1 |c:4|
OC1=C(NS(=O)(=O)c2ccccc12)C(=O)N\N=C\c1ccccc1O |t:1|
COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1 |c:4|
CCOc1ccc(\C=N\NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 |c:12|
CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(CC#C)Cc2ccccc2)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(C)CC#C)c1
CCCCN(CC#C)Cc1cn(cn1)-c1cc(NC(=S)NCC)ncn1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CCN(CC)CC#C)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CN2CCN(CC#C)CC2)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CCN(C)CC#C)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CNCC#C)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(CC)CC#C)c1
CCCN(CC#C)Cc1cn(cn1)-c1cc(NC(=S)NCC)ncn1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(CC#C)C(C)=O)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(CC#C)CC#C)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CCNCC#C)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CCN(CC#C)CC#N)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CCCNCC#C)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(CC#C)CC#N)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CCCN(C)CC#C)c1
Fc1ccc(-c2csc(N\N=C\c3ccc(cc3)N3CCCC3)n2)c(F)c1
Clc1ccc(-c2csc(N\N=C\c3ccc(cc3)N3CCCC3)n2)c(Cl)c1
Fc1ccc(cc1)-c1csc(N\N=C\c2ccc(cc2)N2CCCC2)n1
Clc1ccc(cc1)-c1csc(N\N=C\c2ccc(cc2)N2CCCC2)n1
Brc1ccc(cc1)-c1csc(N\N=C\c2ccc(cc2)N2CCCC2)n1
N#Cc1ccc(cc1)-c1csc(N\N=C\c2ccc(cc2)N2CCCC2)n1
Cc1ccc(cc1)-c1csc(N\N=C\c2ccc(cc2)N2CCCC2)n1
C1CCN(C1)c1ccc(\C=N\Nc2nc(cs2)-c2ccccc2)cc1
Fc1ccc(-c2csc(N\N=C\c3ccc(cc3)N3CCOCC3)n2)c(F)c1
Clc1ccc(-c2csc(N\N=C\c3ccc(cc3)N3CCOCC3)n2)c(Cl)c1
Fc1ccc(cc1)-c1csc(N\N=C\c2ccc(cc2)N2CCOCC2)n1
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
Cc1cc(OCCCOc2cccc3C(CCc23)NCC#C)cc(C)c1Cl
C#CCNC1CCc2c1cccc2OCCCOc1cccc2ccccc12
CC(C)c1ccc(OCCCOc2cccc3C(CCc23)NCC#C)cc1
CCc1ccc(OCCCOc2cccc3C(CCc23)NCC#C)cc1
Ic1cccc(OCCCOc2cccc3C(CCc23)NCC#C)c1
C#CCNC1CCc2c1cccc2OCCCOc1ccccc1
ClCC(=O)Nc1cccc(OCCOc2cccc3C(CCc23)NCC#C)c1
CC(=O)Nc1cccc(OCCOc2cccc3C(CCc23)NCC#C)c1
C#CCNC1CCc2c1cccc2OCCOc1cccc2ccccc12
C#CCNC1CCc2c1cccc2OCCOc1ccccc1
C#CCNC1CCc2c1cccc2SCc1ccccc1
Clc1ccc(cc1)C(=O)Nc1cccc(CCOc2cccc3C(CCc23)NCC#C)c1
Clc1cccc(CCOc2cccc3C(CCc23)NCC#C)c1
Clc1ccc(CCOc2cccc3C(CCc23)NCC#C)cc1
C#CCNC1CCc2c1cccc2OCCc1ccccc1
C#CCNC1CCc2c1cccc2OCc1ccc2ccccc2c1
Fc1ccc(COc2cccc3C(CCc23)NCC#C)cc1F
FC(F)(F)c1ccc(COc2cccc3C(CCc23)NCC#C)cc1
Cc1ccc(COc2cccc3C(CCc23)NCC#C)cc1
Fc1ccc(COc2cccc3C(CCc23)NCC#C)cc1
Cc1cccc(COc2cccc3C(CCc23)NCC#C)c1
Brc1cccc(COc2cccc3C(CCc23)NCC#C)c1
Clc1cccc(COc2cccc3C(CCc23)NCC#C)c1
Fc1cccc(COc2cccc3C(CCc23)NCC#C)c1
C#CCNC1CCc2c1cccc2OCc1ccccc1
CC(C)C(=O)c1ccc(O)c(O)c1
COc1cc(cc(OC)c1OC)C(=O)\C=C\c1cc(O)c(O)c(c1)[N+]([O-])=O
Oc1cc(\C=C\C(=O)c2ccccc2)cc(c1O)[N+]([O-])=O
COC(=O)c1cc(NC(=S)Nc2ccc3[nH]ccc3c2)ccc1O
Oc1ccc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1Cl
Oc1cc(Cl)ccc1NC(=S)Nc1ccc2[nH]ccc2c1
S=C(Nc1ccccc1)Nc1ccc2[nH]ccc2c1
Oc1ccccc1NC(=S)Nc1ccc2[nH]ccc2c1
Oc1ccc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1
COc1ccc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1
Brc1ccc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1
CC(=O)Nc1ccc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1
S=C(Nc1ccc2[nH]ccc2c1)Nc1cccc2cnccc12
Cc1ccc(NC(=S)Nc2ccc3[nH]ccc3c2)c(O)c1
Oc1c(Cl)cc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1Cl
CC(=O)c1ccc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1
CCOC(=O)c1ccc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1
Oc1cccc(\C=N\c2ccc(OCc3ccccc3)cc2)c1O
Oc1ccc(O)c(\C=N\c2ccc(OCc3ccccc3)cc2)c1
NCCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
NCc1ccc(OCc2cccc(Cl)c2)cc1
Nc1ccc(OCc2ccc(F)cc2)cc1
NCCc1ccc(OCc2cccc(Cl)c2)cc1
NCCc1ccc(OCc2ccccc2C(F)(F)F)cc1
NCCc1ccc(OCc2cccc(F)c2)cc1
NCCc1ccc(OCc2ccc(F)cc2)cc1
NCCc1ccc(OCc2ccccc2Cl)cc1
COc1cccc(COc2ccc(CCN)cc2)c1
NC(=O)c1ccc(OCc2cccc(c2)C(F)(F)F)cc1
Nc1ccc(OCc2ccccc2F)cc1
Nc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Nc1ccc(OCc2ccccc2C(F)(F)F)cc1
COc1ccc(COc2ccc(CN)cc2)cc1
NCc1ccc(OCc2ccc(Cl)cc2)cc1
NCc1ccc(OCc2cccc(F)c2)cc1
NCc1ccc(OCc2ccccc2F)cc1
NCc1ccc(OCc2cccc(c2)C(F)(F)F)cc1
NCc1ccc(OCc2ccccc2C(F)(F)F)cc1
NC(=O)c1ccc(OCc2ccc(F)cc2)cc1
COc1cccc(c1)-c1ccc(CCN)cc1
COc1ccc(cc1)-c1ccc(CCN)cc1
COc1ccc(CN[C@@H](C)C(N)=O)cc1
NCCc1ccc(cc1)-c1cccc(F)c1
NCCc1ccc(cc1)-c1ccc(F)cc1
NCCc1ccc(cc1)-c1cccc(Cl)c1
NCCc1ccc(cc1)-c1ccc(Cl)cc1
NC(=O)c1ccc(OCc2cccc(F)c2)cc1
NCc1ccc(OCc2ccc(F)cc2)cc1
NCCc1ccc(OCc2ccccc2F)cc1
NC(=O)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
NC(=O)c1ccc(OCc2ccccc2F)cc1
NCCc1ccc(cc1)-c1ccccc1F
NCCc1ccc(OCc2cccc(c2)C(F)(F)F)cc1
NCCc1ccc(OCc2ccc(Cl)cc2)cc1
NC(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1
Nc1ccc(OCc2cccc(c2)C(F)(F)F)cc1
COc1cccc(COc2ccc(CN)cc2)c1
NCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
NCc1ccc(OCc2ccccc2)cc1
Nc1ccc(OCc2cccc(F)c2)cc1
NCCc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
NCCc1ccc(cc1)-c1ccccc1Cl
NCCc1ccc(cc1)-c1cccc(c1)C(F)(F)F
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|
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|
Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O
Oc1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1
c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)O)O)O
Fc1ccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1F
Cc1ccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
COc1cccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)c1
O=c1ccc2ccc(OCCCN(CC#C)Cc3ccccc3)cc2o1
Fc1ccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)cc1F
Fc1cccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)c1
COc1ccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
CC(C)c1ccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
Fc1ccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1F
O=c1ccc2ccc(OCCCCN(CC#C)Cc3ccccc3)cc2o1
Cc1ccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
Fc1cccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)c1
CN(CCOc1ccc2ccc(=O)oc2c1)CC#C
CN(CCCOc1ccc2ccc(=O)oc2c1)CC#C
COc1cccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)c1
Fc1cccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)c1
O=c1ccc2ccc(OCCN(CC#C)Cc3ccccc3)cc2o1
CC(C)c1ccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
COc1ccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
COc1cccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)c1
Cc1ccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
COc1ccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
CC(C)c1ccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
CN(CCCCOc1ccc2ccc(=O)oc2c1)CC#C
Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccc(F)cc4)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(OCCCN2CCCCC2)cc1
Brc1ccc(COc2ccc3C(=O)\C(Cc3c2)=C\c2ccc(OCCCN3CCCCC3)cc2)cc1
Brc1ccc(COc2ccc3C\C(=C/c4ccc(OCCCN5CCCCC5)cc4)C(=O)c3c2)cc1
O=C(C1CC1)c1ccc(OCCCc2c[nH]cn2)cc1
Fc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(OCCCN2CCCCC2)cc1
Clc1cccc(CNC(=O)[C@H](CCCCN[C@@H]2C[C@H]2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)c1 |r|
Clc1cccc(CN2CCN(c3ccc(cc3)-c3ccccc3)C(=O)C(CCCCN[C@@H]3C[C@H]3c3ccccc3)C2=O)c1 |r|
COc1cc2sn(CCCN(C)Cc3ccccc3)c(=O)c2cc1OC
CCN(CCCCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccccc1OC
COc1cc2s[nH]c(=O)c2cc1OC
CCN(CCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccccc1
CCN(CCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccccc1N(C)C
COc1cc2sn(CCCCN(C)Cc3ccccc3)c(=O)c2cc1OC
COc1ccccc1CN(C)CCCCn1sc2cc(OC)c(OC)cc2c1=O
CCN(CCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccccc1OC
CCN(CCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccc(cc1)N(C)C
COc1ccccc1CN(C)CCCCCCn1sc2cc(OC)c(OC)cc2c1=O
COc1ccccc1CN(C)CCCn1sc2cc(OC)c(OC)cc2c1=O
CCN(CCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccccc1N(C)C
CCN(CCCCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccc(cc1)N(C)C
CCN(CCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccc(cc1)N(C)C
CCN(CCCCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccccc1N(C)C
COc1cc2sn(CCCCCCN(C)Cc3ccccc3)c(=O)c2cc1OC
CCN(CCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccccc1OC
CCN(CCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccccc1
CCN(CCCCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccccc1
COC(=O)C[C@H](Cc1ccc(OCc2ccccc2)cc1)N(C)CC(O)=O |r|
COC(=O)c1ccc(COc2ccc(C[C@@H](C)N(C)CC(O)=O)cc2)cc1 |r|
C[C@H](Cc1ccc(OCc2cccc(c2)C#N)cc1)N(C)CC(O)=O |r|
CN(CC(O)=O)[C@H](CO)Cc1ccc(OCc2ccccc2)cc1 |r|
C[C@H](Cc1ccc(OCc2ccccn2)cc1)N(C)CC(O)=O |r|
C[C@H](Cc1ccc(OCc2cc(Cl)ccc2Cl)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(OCc2cccc(Cl)c2)cc1)N(C)CC(O)=O |r|
CN(CC(O)=O)[C@H](COCc1ccccc1)Cc1ccc(OCc2ccccc2)cc1 |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|
COC(=O)C[C@H](Cc1ccc(OCc2cccc(Cl)c2)cc1)N(C)CC(O)=O |r|
C[C@H](Cc1ccc(OCc2ccccc2)cc1)N(C)CC#C |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(OCc2ccc3ccccc3c2)cc1)N(C)CC(O)=O |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(OCc2ccc(Br)c(Cl)c2)cc1)N(C)CC(O)=O |r|
C[C@H](Cc1ccc(OCc2cc(F)cc(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(OCc2ccccc2Cl)cc1)N(C)CC(O)=O |r|
C[C@H](Cc1ccc(OCc2ccccc2)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(OCc2ccc(Cl)cc2)cc1)N(C)CC(O)=O |r|
c1cc(ccc1C(=O)NCCO)Cl
Clc1ccc(nc1)C(=O)NCCCBr
Clc1ccc(nc1)C(=O)NCBr
Clc1ccc(cc1)C(=O)NCBr
Clc1ccc(cc1)C(=O)NCCCBr
Clc1ccc(nc1)C(=O)NCCBr
OCNC(=O)c1ccc(Cl)cc1
NCNC(=O)c1ccc(Cl)cc1
Clc1ccc(cc1)C(=O)NCCBr
OCCCNC(=O)c1ccc(Cl)cc1
NCCCNC(=O)c1ccc(Cl)cc1
NCNC(=O)c1ccc(Cl)cn1
OCCCNC(=O)c1ccc(Cl)cn1
OCNC(=O)c1ccc(Cl)cn1
NCCCNC(=O)c1ccc(Cl)cn1
NCCNC(=O)c1ccc(Cl)cc1
OCCNC(=O)c1ccc(Cl)cn1
Oc1ccc(C=C2C(=O)NC(=S)N(C2=O)c2ccc(Br)cc2)cc1O
COc1ncccc1CN[C@H]1[C@@H](C)[C@@H]1c1ccccc1 |r|
C[C@@H]1[C@H](NCc2ccc(Cl)cc2)[C@H]1c1ccccc1 |r|
C[C@@H]1[C@H](NCc2ccc(Cl)cc2Cl)[C@H]1c1ccccc1 |r|
C(N[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 |r|
Clc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
NC(=O)c1cccc(CN[C@H]2C[C@@H]2c2ccccc2)c1 |r|
NC(=O)c1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |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(N[C@H]1C[C@@H]1c1ccccc1)c1cccc(c1)-c1ccccc1 |r|
CNS(=O)(=O)c1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
NS(=O)(=O)c1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
COc1ccccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
COc1ccc2c3ccnc(c3n(c2c1)CC#N)Cl
COc1ccc2c(c1)n(CC#N)c1c(C)nccc21
CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
C#CCNc1nc(NCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N
Clc1ccc(nc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
CN(C)CCOC(=O)\C=C\c1ccc2oc(cc(=O)c2c1)C(=O)Nc1ccc(C)cc1
COc1ccc(NC(=O)c2cc(=O)c3cc(\C=C\C(=O)OCCN(C)C)ccc3o2)cc1
COc1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1ccc2c(c1)oc(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1cc2oc(cc(=O)c2cc1OC)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
COc1ccc2c(c1)[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1cccc2c1[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1cc2[nH]c(cc(=O)c2cc1OC)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCCC1CCN(Cc2ccccc2)CC1
Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCCC1CCN(Cc2ccccc2)CC1
Oc1cc2oc(cc(=O)c2cc1O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
[O-][N+](=O)c1ccc2oc(cc(=O)c2c1)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
Oc1cccc2c1[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
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)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
COc1ccc(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(Cc3ccccc3Cl)CC2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(CCC(=O)NC2CCN(Cc3ccccc3)CC2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CNCC1CCN(Cc2ccccc2)CC1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CNCCC1CCN(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(Cc3ccccc3F)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(\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(Br)cc3)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
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CNC1CCN(Cc2ccccc2)CC1
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(Cc3ccccc3)CC2)cc(c1O)C(C)(C)C
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(Cc3ccc(F)cc3)CC2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3cccc(c3)[N+]([O-])=O)CC2)cc(c1O)C(C)(C)C
C1CC1N1CCC(=CC1)c1ccccc1-c1ccccc1 |c:7|
C1CC1N1CCC(=CC1)c1ccc2ccccc2c1 |c:7|
C1CC1N1CCC(=CC1)c1cccc(c1)-c1ccccc1 |c:7|
C1CC1N1CCC(=CC1)c1ccccc1 |c:7|
C1CC1N1CCC(=CC1)c1cccc2ccccc12 |c:7|
O=C(Nc1ccccc1NC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O
COc1ccc2cc(C(=O)NCCCCNC(=O)c3cc4ccc(OC)cc4oc3=O)c(=O)oc2c1
O=C(N[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O
O=C(NCCCCNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O
O=C(Nc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1)c1cc2ccccc2oc1=O
O=C(NCCCCCCNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O
O=C(NCCNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O
Cc1csc(N\N=C\c2ccc(Cl)cc2Cl)n1
N(\N=C\c1ccccc1)c1nc(cs1)-c1ccccc1
Clc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2)cc1
Clc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2)c(Cl)c1
Cc1csc(N\N=C\c2ccccc2)n1
[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#7]-c1nc(cs1)-c1ccccc1
[#6]-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#7]-c1nc(cs1)-c1ccccc1
Cc1csc(\N=C\c2ccc(C)cc2)n1
COc1ccc(\C=N\Nc2nc(C)cs2)cc1
Cc1ccc(\C=N\c2nc(cs2)-c2ccccc2)cc1
Cc1csc(\N=C\c2ccccc2C)n1
COc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2)cc1OC
[#6]-1-[#6]-[#6]\[#6](-[#6]-1)=[#7]/[#7]-c1nc(cs1)-c1ccccc1
CC1CCCC\C1=N/Nc1nc(cs1)-c1ccccc1
Cc1csc(N\N=C\c2ccc(Cl)cc2)n1
COc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2)cc1
COc1ccc(\C=N\Nc2nc(C)cs2)cc1OC
Cc1ccccc1\C=N\c1nc(cs1)-c1ccccc1
Cc1ccc(cc1)-c1cc(ccc1S(C)(=O)=O)S(=O)(=O)c1ccc(CN)s1
OCCn1nnc(n1)-c1ccc(OCc2ccccc2Cl)cc1
COc1ccc2c3CCN=C(C)c3[nH]c2c1 |t:9|
N#CCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
Clc1ccc(cc1)-c1nnn(CCC#N)n1
N#CCCn1nnc(n1)-c1ccncc1
COc1ccc(COc2ccc(cc2)-c2nnn(CCO)n2)cc1
COc1cccc(COc2ccc(cc2)-c2nnn(CCO)n2)c1
[O-][N+](=O)c1ccc(cc1)-c1nnn(CCC#N)n1
N#CCCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
OCCn1nnc(n1)-c1ccc(OCc2ccc(F)cc2)cc1
Cc1cccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)c1
OCCCCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
OCCn1nnc(n1)-c1ccc(Cl)cc1
OCCn1nnc(n1)-c1ccc(OCc2ccccc2)cc1
COc1ccc(cc1)-c1nnn(CCO)n1
Fc1ccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)cc1
Cc1ccccc1COc1ccc(cc1)-c1nnn(CCO)n1
NCCNC(=O)c1ccc(Cl)cn1
OCCn1nnc(n1)-c1ccncc1
Clc1ccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)cc1
COc1ccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)cc1
OCCn1nnc(n1)-c1ccc(OCc2ccc(Cl)cc2)cc1
Cc1ccc(COc2ccc(cc2)-c2nnn(CCO)n2)cc1
OCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
Cc1cccc(COc2ccc(cc2)-c2nnn(CCO)n2)c1
N#CCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
Cc1ccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)cc1
N#CCCn1nnc(n1)-c1ccccc1
N#CCCn1nnc(n1)-c1ccc(OCc2ccccc2)cc1
OCCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
OCCn1nnc(n1)-c1ccc(OCc2ccccc2I)cc1
COc1ccc(cc1)-c1nnn(CCC#N)n1
Clc1cccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)c1
COc1cccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)c1
Cc1ccccc1COc1ccc(cc1)-c1nnn(CCC#N)n1
Ic1ccccc1COc1ccc(cc1)-c1nnn(CCC#N)n1
N#CCCCCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
Clc1ccccc1COc1ccc(cc1)-c1nnn(CCC#N)n1
OCCn1nnc(n1)-c1ccc(cc1)[N+]([O-])=O
OCCn1nnc(n1)-c1ccccc1
OCCCn1nnc(n1)-c1ccc(cc1)-c1ccccc1
OCCn1nnc(n1)-c1ccc(OCc2cccc(Cl)c2)cc1
NCCCCCCNCC(N)=O
CC(C)(C)OC(=O)NCCCCCCNCC(N)=O
Oc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc(cc12)-c1ccc(cc1)C#N
Fc1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc(CCc3ccccc3)cc12
O=C1c2ccccc2-c2nnc3CCCCc3c12
Cc1nnc2-c3ccccc3C(=O)c2c1Cc1ccccc1
Oc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc-3c(CCc4ccccc-34)c12
O=C(c1ccccc1)c1c2C(=O)c3ccccc3-c2nnc1-c1ccccc1
Fc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
FC(F)(F)c1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc(\C=C\c3ccccc3)cc12
[O-][N+](=O)c1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
Cc1c2C(=O)c3ccccc3-c2nnc1-c1ccccc1
CC(=O)c1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc(cc12)-c1ccccn1
CC(=O)Nc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
Clc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
[O-][N+](=O)c1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
FC(F)(F)c1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnccc12
O=C1c2ccccc2-c2nnc3ccccc3c12
CCOC(=O)c1c2C(=O)c3ccccc3-c2nnc1-c1ccccc1
O=C1c2ccccc2-c2nnc(cc12)-c1ccc(cc1)N1CCCCC1
Fc1ccc(cc1F)-c1cc2C(=O)c3ccccc3-c2nn1
Nc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
Clc1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
COc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nncc(Cc3ccccc3)c12
Clc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
Cc1nnc2-c3ccccc3C(=O)c2c1-c1ccccc1
COc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc(cc12)-c1cccnc1
Clc1cc(Cl)cc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc(cc12)-c1cccc2ccccc12
FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc3CCc4ccccc4-c3c12
Oc1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
Fc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
Oc1ccc-2c(c1)C(=O)c1cc(nnc-21)-c1cccc(c1)C(F)(F)F
[O-][N+](=O)c1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
O=C(c1ccccc1)c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc(cc12)-c1cccs1
O=C1c2ccccc2-c2nnc(cc12)-c1ccc2ccccc2c1
Brc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
CCCCOc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
COc1cc(ccc1O)-c1cc2C(=O)c3ccccc3-c2nn1
COc1ccc(cc1OC)-c1cc2C(=O)c3ccccc3-c2nn1
FC(F)(F)c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc(cc12)-c1ccco1
COc1ccc-2c(c1)C(=O)c1cc(nnc-21)-c1cccc(c1)C(F)(F)F
O=C1c2ccccc2-c2nnc(-c3ccccc3)c(Cc3ccccc3)c12
Oc1c2ccccc2c2n[nH]c3c(ccc4ccccc34)c12
O=C1c2ccccc2-c2nnc(cc12)-c1cccc(c1)C#N
OC(=O)c1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
Cc1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
O=C1c2ccccc2-c2nnc(Cc3ccccc3)cc12
Nc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
OC(=O)CCc1cc2C(=O)c3ccccc3-c2nn1
Brc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
COc1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
FC(F)(F)c1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
CCOC(=O)c1coc2ccccc2c1=O
OC(=O)c1coc2ccc(Cl)cc2c1=O
CCCOC(=O)c1cc(=O)c2ccccc2o1
Clc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
CCOC(=O)c1cc(=O)c2ccccc2o1
Oc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1O
CCOC(=O)c1cc(=O)c2cc(Cl)ccc2o1
OCc1cc(=O)c2ccccc2o1
OC(=O)c1cc(=O)c2cc(Cl)ccc2o1
CN(C(=O)c1cc(=O)c2ccccc2o1)c1ccccc1
OCc1coc2ccccc2c1=O
CCCOC(=O)c1coc2ccccc2c1=O
Oc1cc2O\C(=C/c3ccc(cc3)N3CCCCC3)C(=O)c2c(O)c1
[#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|
COc1c2ccoc2cc2oc(=O)ccc12
[#6]-[#8]-c1c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])ccc2ccc(=O)oc12
O=c1ccc2cc3ccoc3cc2o1
CN1CCN(C=N1)c1ccc(cc1F)N1C[C@H](CNC(C)=O)OC1=O |r,c:5|
Cn1nnc(n1)-c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](CO)OC1=O |r|
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 |r|
CN1CCN(C=N1)c1ccc(cc1F)N1C[C@H](COC(N)=S)OC1=O |r,c:5|
Clc1ccc(CCOc2ccc3COC(=O)c3c2)cc1
O=C1OCc2ccc(OCCCc3ccccc3)cc12
O=C1OCc2ccc(NCc3ccccc3)cc12
O=C1OCc2ccc(OCC3CCCCC3)cc12
Brc1ccc(OCCOc2ccc3COC(=O)c3c2)cc1
O=C1OCc2ccc(OCCOc3ccccc3)cc12
O=C1OCc2ccc(OCCc3ccccc3)cc12
Cc1ccc(COc2ccc3COC(=O)c3c2)cc1
Ic1ccc(COc2ccc3COC(=O)c3c2)cc1
Fc1ccc(COc2ccc3COC(=O)c3c2)cc1
O=C1OCc2ccccc12
O=C1OCc2ccc(OCc3ccccc3)cc12
Brc1ccc(COc2ccc3COC(=O)c3c2)cc1
FC(F)(F)c1ccc(COc2ccc3COC(=O)c3c2)cc1
Fc1ccc(OCCOc2ccc3COC(=O)c3c2)cc1
Fc1ccc(CCOc2ccc3COC(=O)c3c2)cc1
Brc1cccc(COc2ccc3COC(=O)c3c2)c1
Cc1ccc(CCOc2ccc3COC(=O)c3c2)cc1
Clc1ccc(OCCOc2ccc3COC(=O)c3c2)cc1
Clc1ccc(COc2ccc3COC(=O)c3c2)cc1
CCOC(=O)c1csc(N\N=C(/C)c2ccncc2)n1
C\C(=N/Nc1nc(cs1)-c1ccccc1)c1cccnc1
C\C(=N/Nc1nc(C)cs1)c1cccnc1
C\C(=N/Nc1nc(cs1)-c1ccccc1)c1ccccn1
CCOC(=O)c1csc(N\N=C(/C)c2cccnc2)n1
C\C(=N\Nc1nc(cs1)-c1ccccc1)c1ccncc1
Clc1cccc(\C=C\C(=O)c2ccco2)c1
Clc1cccc(c1)C(=O)\C=C\c1ccc(Br)o1
Clc1ccc(\C=C\C(=O)c2cccc(Cl)c2)o1
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(Br)c1
Cc1ccc(o1)C(=O)\C=C\c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)\C=C\c1ccco1
Cc1ccc(o1)C(=O)\C=C\c1ccc(F)c(Br)c1
Cc1ccc(o1)C(=O)\C=C\c1ccc(Br)cc1
COc1cccc(\C=C\C(=O)c2ccco2)c1
Fc1ccc(cc1)C(=O)\C=C\c1ccc(Br)o1
Cc1ccc(\C=C\C(=O)c2cccc(Cl)c2)o1
Cc1ccc(o1)C(=O)\C=C\c1cccc(F)c1
Cc1ccc(o1)C(=O)\C=C\c1cccc(Cl)c1
Cc1ccc(o1)C(=O)\C=C\c1cccc(c1)C(F)(F)F
c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O
CN1N=C(CC1c1ccc(Cl)cc1)c1ccc(O)cc1O |c:2|
CN1N=C(CC1c1ccccc1Cl)c1ccc(O)cc1O |c:2|
CN1N=C(CC1c1ccc(F)cc1)c1ccc(O)cc1O |c:2|
CN1N=C(CC1c1ccc(Cl)cc1)c1ccc(O)cc1 |c:2|
CN1N=C(CC1c1ccccc1Cl)c1ccc(O)cc1 |c:2|
CN1N=C(CC1c1cccc(C)c1)c1ccc(O)cc1 |c:2|
CN1N=C(CC1c1cccc(F)c1)c1ccccc1 |c:2|
CN1N=C(CC1c1ccccc1)c1ccccc1 |c:2|
CN1N=C(CC1c1ccccc1C)c1ccc(O)cc1O |c:2|
CN1N=C(CC1c1cccc(Cl)c1)c1ccccc1 |c:2|
CN1N=C(CC1c1cccc(Cl)c1)c1ccc(O)cc1 |c:2|
CN1N=C(CC1c1ccccc1C)c1ccc(O)cc1 |c:2|
CN1N=C(CC1c1ccccc1F)c1ccccc1 |c:2|
CN1N=C(CC1c1ccc(C)cc1)c1ccc(O)cc1 |c:2|
CN1N=C(CC1c1ccccc1C)c1ccccc1 |c:2|
CN1N=C(CC1c1ccc(C)cc1)c1ccccc1 |c:2|
CN1N=C(CC1c1ccc(F)cc1)c1ccccc1 |c:2|
CN1N=C(CC1c1cccc(Cl)c1)c1ccc(O)cc1O |c:2|
CC(=O)Nc1ccc-2c(c1)C(O)c1ccccc-21
CC(=O)Nc1ccc2-c3ccccc3C(=O)c2c1
CC(=O)Nc1ccc2c(c1)oc(=O)c1ccccc21
O=CNc1ccc2c(c1)-c1ccccc1S2(=O)=O
Nc1ccc2c(c1)-c1ccccc1S2(=O)=O
CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1S2(=O)=O
CC(=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
CCc1ccc2C(=O)c3ccc(NC(C)=O)cc3S(=O)(=O)c2c1
CC(=O)Nc1ccc2c(c1)oc1ccccc21
CC(=O)Nc1ccc2c(c1)n(C)c1ccccc21
CC(=O)Nc1ccc2c(c1)-c1ccccc1S2(=O)=O
CC(=O)Nc1ccc2Nc3ccccc3S(=O)(=O)c2c1
CC(=O)Nc1ccc2C(=O)c3ccc(C)cc3S(=O)(=O)c2c1
CC(=O)Nc1ccc2-c3ccc(cc3C(=O)c2c1)[N+]([O-])=O
CC(=O)Nc1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
CN1c2ccc(NC(C)=O)cc2S(=O)(=O)c2cc(NC(C)=O)ccc12
CC(=O)Nc1ccc2c(c1)[nH]c1ccccc21
O=CNc1ccc2c(c1)[nH]c1ccccc21
CC(=O)Nc1ccc2Oc3ccccc3S(=O)(=O)c2c1
CCCc1ccc2C(=O)c3ccc(NC(C)=O)cc3S(=O)(=O)c2c1
CCC(=O)Nc1ccc2c(c1)-c1ccccc1S2(=O)=O
Oc1ccc2NC(=O)CCc2c1
c1cc2c(cc1O)NC(=O)CC2
O=C1CCc2ccc(OCCCc3ccccc3)cc2N1
O=C1CCc2ccc(OCCc3ccccc3)cc2N1
O=C1CCc2cc(OCCc3ccccc3)ccc2N1
Brc1cccc(COc2ccc3NC(=O)CCc3c2)c1
O=C1CCc2ccc(OCc3ccccc3)cc2N1
O=C1CCc2cc(OCCCc3ccccc3)ccc2N1
O=C1CCc2cc(OCc3ccccc3)ccc2N1
Brc1cccc(COc2ccc3CCC(=O)Nc3c2)c1
Clc1cccc(COc2ccc3NC(=O)CCc3c2)c1
Cc1ccc(cc1)C1CC(=NN1C(=O)Oc1ccccc1)c1ccccc1O |c:10|
Oc1ccccc1C1=NN(C(C1)c1ccccc1)C(=O)Oc1ccccc1 |t:8|
COc1ccc(cc1)C1CC(=NN1C(=O)Oc1ccccc1)c1ccccc1O |c:11|
CCOC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1O |c:6|
CCOC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccccc1O |c:6|
Oc1ccccc1C1=NN(C(C1)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |t:8|
CCOC(=O)N1N=C(CC1c1ccccc1)c1ccccc1O |c:6|
CCOC(=O)N1N=C(CC1c1ccc(OC)cc1)c1ccccc1O |c:6|
[2H]C([2H])(N[C@H]1[C@H](F)Cc2ccccc12)C#C |r|
C(CCCCCCNCc1ccccc1)CCCCCNCc1ccccc1
NCCCNCCCCNCCCNCc1cccs1
NCCCNCCCCNCCCNCc1ccccc1
CN(CCCCCCCCCCCCN=C=S)Cc1ccccc1
Cn1c2nc3N(CCc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
CCCn1c2nc3N(CC(=O)N4CCN(Cc5ccc(cc5)C(F)(F)F)CC4)CCCn3c2c(=O)n(CCC)c1=O
Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c2nc3N(Cc4ccc(Cl)c(Cl)c4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)c1ccc(Cl)cc1
CCn1c2nc3N(CCc4ccc(OC)c(OC)c4)CCCn3c2c(=O)n(CC)c1=O
Cn1c2nc3N(CC(=O)N4CCN(CC4)c4ccccc4)CCCn3c2c(=O)n(C)c1=O
COc1ccc(CN2CCCn3c2nc2n(C)c(=O)n(CC#C)c(=O)c32)cc1
Cn1c2nc3N(Cc4ccccc4)CCCn3c2c(=O)n(CC#C)c1=O
CCCn1c2nc3N(CC(=O)N4CCN(CC4)c4ccc(Cl)cc4)CCCn3c2c(=O)n(CCC)c1=O
Cn1c2nc3N(CCc4ccc(Cl)c(Cl)c4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCc4cccc(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)c1ccc(Cl)c(Cl)c1
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)c1cccc(Cl)c1
CCn1c2nc3N(CCCn3c2c(=O)n(CC)c1=O)C1CCCCC1
CCn1c2nc3N(CCc4ccccc4OC)CCCn3c2c(=O)n(CC)c1=O
CCn1c2nc3N(CCCn3c2c(=O)n(CC)c1=O)c1cccc(OC)c1
CCn1c2nc3N(CCCn3c2c(=O)n(CC)c1=O)c1ccc(O)cc1
COc1cccc(CN2CCCn3c2nc2n(C)c(=O)n(CC#C)c(=O)c32)c1
COc1ccccc1CN1CCCn2c1nc1n(C)c(=O)n(CC#C)c(=O)c21
Cn1cnc2n(C)c(=O)n(CC#C)c(=O)c12
CCCn1c2nc3N(CCC(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)CCCn3c2c(=O)n(CCC)c1=O
Cn1c2nc3N(CC(=O)N4CCN(Cc5ccc(cc5)C(F)(F)F)CC4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4cc(Cl)cc(Cl)c4)CCCn3c2c(=O)n(C)c1=O
CCn1c2nc3N(CCc4ccc(OC)cc4)CCCn3c2c(=O)n(CC)c1=O
CC(C)c1ccc(cc1)N1CCCn2c1nc1n(C)c(=O)n(CC#C)c(=O)c21
Cn1c2nc3N(CC(=O)N4CCN(CC4)c4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4cccs4)CCCn3c2c(=O)n(CC#C)c1=O
Cn1c2nc3N(CC(=O)N4CCN(Cc5ccccc5)CC4)CCCn3c2c(=O)n(C)c1=O
CC(=O)Nc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
NC(=O)COc1cc(=O)oc2cc(OCc3cccc(Br)c3)ccc12
Nc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
NC(=O)COc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CCNc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CNc1cc(=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
Clc1cccc(COc2ccc3c(Cl)cc(=O)oc3c2)c1
Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
COc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
OCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
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)c2ccnc(c2)-c2cc(ccn2)C(O)=O)cc1
N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(O)c3ncccc23)cc1
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|
O=c1ccc2ccc(OCCNCC#C)cc2o1
COC(=O)c1cc2ccc(OCCCCC#C)cc2oc1=O
Fc1ccc(NC(=O)c2cc3ccc(OCCCC#C)cc3oc2=O)cc1
COc1ccc(cc1)C(=O)c1cc2ccc(OCCCC#C)cc2oc1=O
COC(=O)c1cc2ccc(OCCNCC#C)cc2oc1=O
CCCCCCOc1ccc2cc(C(=O)OC)c(=O)oc2c1
[#6]-[#8]-[#6](=O)-c1cc2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])cc2oc1=O
COC(=O)c1cc2ccc(OCCc3ccc(Cl)cc3)cc2oc1=O
Cc1cc(=O)oc2cc(OCCCCC#C)ccc12
CC(=O)Nc1cc2ccc(OCCCCC#C)cc2oc1=O
COc1ccc(cc1)C(=O)c1cc2cc(OCCCCC#C)ccc2oc1=O
COc1ccc(cc1)C(=O)c1cc2ccc(OCCCCC#C)cc2oc1=O
Cc1cc(=O)oc2cc(OCCCC#C)ccc12
COc1ccc(cc1)-c1cc2ccc(OCCCCC#C)cc2oc1=O
CC(=O)Nc1cc2ccc(OCCCC#C)cc2oc1=O
COC(=O)c1cc2ccc(OCC#C)cc2oc1=O
COC(=O)c1cc2cc(OCCc3ccc(Cl)cc3)ccc2oc1=O
OC(=O)c1cc2ccc(OCCCC#C)cc2oc1=O
COC(=O)c1cc2ccc(OCCCC#C)cc2oc1=O
COC(=O)c1cc2cc(OCCCC#C)ccc2oc1=O
COC(=O)c1cc2cccc(OCCCC#C)c2oc1=O
CC(=O)Nc1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O
COC(=O)c1cc2ccc(OCCC#C)cc2oc1=O
O=c1ccc2ccc(OCCCC#C)cc2o1
O=C1CCc2ccc(OCCCCC#C)cc2N1
[#6]-[#8]-[#6](=O)-c1cc2cc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])ccc2oc1=O
COC(=O)c1cc2cc(OCc3cccc(Cl)c3)ccc2oc1=O
O=c1ccc2ccc(OCCCCC#C)cc2o1
COC(=O)c1cc2cc(OCCCCC#C)ccc2oc1=O
CC(=O)Nc1cc2cc(OCCCCC#C)ccc2oc1=O
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1cc2ccc(OCCCC#C)cc2oc1=O
COC(=O)c1cc2ccc(OCc3cccc(F)c3)cc2oc1=O
Nc1nnc(NCc2c(Cl)cccc2Oc2ccccc2)[nH]1
COc1ccccc1CNc1n[nH]c(NCc2ccccc2OC)n1
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|
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](CNO)OC1=O
CCc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:22|
CCCOc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:24|
O=C1c2ccccc2S(=O)(=O)c2cc(ccc12)C1=NCCN1 |t:20|
CCc1nnc(o1)-c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
C=CCNc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:24|
Cn1nnc(n1)-c1ccc2Oc3ccccc3S(=O)(=O)c2c1
CCCc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:23|
Cc1nnc(o1)-c1ccc2C(=O)c3cc(C)ccc3S(=O)(=O)c2c1
C1CN=C(N1)c1ccc2Oc3ccc(cc3Sc2c1)C1=NCCN1 |c:2,t:23|
COc1nnc(o1)-c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
CCCNc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:24|
O=C1c2ccc(cc2S(=O)(=O)c2ccc(cc12)N1CCOCC1)C1=NCCN1 |t:27|
O=c1c2ccccc2sc2cc(ccc12)C1=NCCN1 |t:18|
CCn1nnc(n1)-c1ccc2c(c1)oc1ccc(O)cc1c2=O
CCCOc1ccc2sc3cc(ccc3c(=O)c2c1)-c1nnc(C)o1
NCCNc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:24|
CCOc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:23|
CNc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:22|
Clc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:21|
CCN(C)c1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:24|
CC(C)c1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnn(C)n1
Cn1nnc(n1)-c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
OCCNc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:24|
Cc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:21|
CC(C)c1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:23|
O=S1(=O)c2ccccc2Oc2ccc(cc12)C1=NCCN1 |t:19|
C1CN=C(N1)c1ccc2Oc3ccccc3Sc2c1 |c:2|
Fc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:21|
CCNc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:23|
CC(C)(C)c1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:24|
Cc1nc(no1)-c1ccc2Oc3ccccc3Sc2c1
COc1nc(no1)-c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
COc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:22|
C1CN=C(N1)c1ccc2Sc3ccccc3Sc2c1 |c:2|
Cc1nnc(o1)-c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
Cc1nnc(o1)-c1ccc2c(OOc3ccccc3C2=O)c1
CCCOc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnn(C)n1
COc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnc(C)o1
CN(C)c1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:23|
O=C1c2ccc(cc2S(=O)(=O)c2ccc(cc12)N1CCSCC1)C1=NCCN1 |t:27|
COc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnn(C)n1
Cn1c(c(C#N)c2ccc(Cl)cc12)-c1cccnc1
CN(C)S(=O)(=O)Oc1cncc(c1)-c1c(C#N)c2ccccc2n1C
OC(=O)c1cc(CC(=O)c2cccs2)c(cc1C(O)=O)[N+]([O-])=O
COc1ccc(cc1)C(=O)Cc1cc2C(=O)N(Cc3ccccc3)C(=O)c2cc1[N+]([O-])=O
COn1c(cc2cc3C(=O)N(C)C(=O)c3cc12)-c1ccccc1
COn1c(c(Br)c2cc(C#N)c(cc12)C#N)-c1ccc(C)cc1
COn1c(c(C=O)c2cc(C#N)c(cc12)C#N)-c1ccc(C)cc1
COC(=O)c1cc2cc(-c3ccc(OC)cc3)n(OC)c2cc1C(=O)OC
COc1ccc(cc1)-c1c(C=O)c2cc(C#N)c(cc2n1OC)C#N
[O-][N+](=O)c1cc2C(=O)N(Cc3ccccc3)C(=O)c2cc1CC(=O)c1cccs1
[O-][N+](=O)c1cc2C(=O)NC(=O)c2cc1CC(=O)c1cccs1
Clc1c([nH]c2cc3C(=O)NC(=O)c3cc12)-c1ccccc1
COn1c(cc2cc3C(=O)NC(=O)c3cc12)-c1cccs1
Cc1ccc(cc1)-c1cc2cc3C(=O)NC(=O)c3cc2n1O
COc1ccc(cc1)-c1cc2cc(C(O)=O)c(cc2n1O)C(O)=O
OC(=O)c1cc2cc(-c3ccccc3)n(O)c2cc1C(O)=O
COn1c(c(Br)c2cc(C#N)c(cc12)C#N)-c1ccccc1
COn1c(c(CO)c2cc(C#N)c(cc12)C#N)-c1ccccc1
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
CC(=O)On1c(cc2cc(C#N)c(cc12)C#N)-c1cccs1
OC(=O)c1cc(CC(=O)c2ccccc2)c(cc1C(O)=O)[N+]([O-])=O
COn1c(cc2cc3C(=O)NC(=O)c3cc12)-c1ccc(C)cc1
On1c(cc2cc3C(=O)NC(=O)c3cc12)-c1ccccc1
COc1ccc(cc1)-c1c(CO)c2cc(C#N)c(cc2n1OC)C#N
COn1c(c(C=O)c2cc(C#N)c(cc12)C#N)-c1ccccc1
COc1ccc(cc1)C(=O)Cc1cc2C(=O)NC(=O)c2cc1[N+]([O-])=O
OC(=O)c1cc2cc(-c3cccs3)n(O)c2cc1C(O)=O
Cc1ccc(cc1)C(=O)Cc1cc(C(O)=O)c(cc1[N+]([O-])=O)C(O)=O
On1c(cc2cc3C(=O)NC(=O)c3cc12)-c1cccs1
[O-][N+](=O)c1cc2C(=O)NC(=O)c2cc1CC(=O)c1ccccc1
Cc1ccc(cc1)-c1cc2cc(C(O)=O)c(cc2n1O)C(O)=O
Cc1ccc(cc1)C(=O)Cc1cc2C(=O)NC(=O)c2cc1[N+]([O-])=O
Cc1ccc(cc1)-c1cc2cc(C#N)c(cc2n1O)C#N
COc1ccc(cc1)C(=O)Cc1cc(C(O)=O)c(cc1[N+]([O-])=O)C(O)=O
COn1c(c(CO)c2cc(C#N)c(cc12)C#N)-c1ccc(C)cc1
NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)c1ccc(Cl)cc1
Cc1ccc(cc1)-c1nnc(o1)-c1cccc(c1)S(N)(=O)=O
NS(=O)(=O)c1cc(ccc1Cl)-c1nnc(o1)-c1ccccc1
NS(=O)(=O)c1cccc(c1)-c1nnc(o1)-c1ccc(Cl)cc1
NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)c1ccccc1
NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)c1ccc(F)cc1
NS(=O)(=O)c1ccc(cc1)-c1nnc(o1)-c1ccc(Cl)cc1
NS(=O)(=O)c1ccc(cc1)-c1nnc(o1)-c1ccc(cc1)C#N
NS(=O)(=O)c1ccc(cc1)-c1nnc(o1)-c1ccc(Cl)c(Cl)c1
NS(=O)(=O)c1cccc(c1)-c1nnc(o1)-c1ccc(F)cc1
Cc1ccc(cc1S(N)(=O)=O)-c1nnc(o1)-c1ccccc1
NS(=O)(=O)c1ccc(cc1)-c1nnc(o1)-c1ccc(F)cc1
NS(=O)(=O)c1ccc(cc1)-c1nnc(o1)-c1ccccc1
NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)c1ccc(cc1)C#N
NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1
N\C(=N/O)c1cccc(\C=C\c2ccc(O)c(c2)-c2ccccn2)c1
N\C(=N/O)c1cccc(\C=C\c2ccnc(c2)-c2ccccc2O)c1
N\C(=N/O)c1cccc(\C=C\c2ccnc(c2)-c2cc(F)ccc2O)c1
Nc1cccc(\C=C\c2ccc(O)c(c2)-c2ccccn2)c1
N#Cc1cccc(c1)C1=NCCN1 |t:9|
C1CN=C(N1)c1ccc(cc1)-c1nc(no1)-c1cccs1 |c:2|
Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)C1=NCCN1 |t:21|
FC(F)(F)c1ccc(nc1)N1CCN=C1c1ccc(cc1)C#N |c:14|
N#Cc1ccc(cc1)C1=NCCN1c1cnccn1 |t:9|
C1CN2C(=N1)c1ccccc1Oc1nccnc21 |c:3|
C1CN=C(N1)c1cc2ccccc2o1 |c:2|
CC1CN=C(N1)c1ccc(cc1)-c1nc(no1)-c1ccc(C)s1 |c:3|
Clc1ccc(cc1Cl)-c1noc(n1)-c1ccc(cc1)C1=NCCN1 |t:22|
Cn1ccnc1SCc1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1=NCCN1 |t:29|
Cc1ccc(Cc2noc(n2)-c2ccc(cc2)C2=NCCN2)cc1 |t:19|
C(c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1=NCCN1)n1cncn1 |t:21|
O=c1n(Cc2noc(n2)-c2ccc(cc2)C2=NCCN2)ncc2ccccc12 |t:17|
Clc1ccccc1-c1noc(n1)-c1ccc(cc1)C1=NCCN1 |t:21|
C1CN=C(N1)c1ccc(cc1)-c1nc(no1)-c1ccc(Oc2ccccc2)cc1 |c:2|
CC(C)c1noc(n1)-c1ccc(cc1)C1=NCCN1 |t:16|
O=c1ccc(nn1Cc1noc(n1)-c1ccc(cc1)C1=NCCN1)-c1ccccc1 |t:22|
Cc1nn(Cc2nc(no2)-c2cccc(c2)C2=NCCN2)c(=O)c2ccccc12 |t:18|
Clc1cccc(c1)-c1nc(no1)-c1cccc(c1)C1=NCCN1 |t:21|
Cc1nc(no1)-c1ccc(cc1)C1=NCCN1 |t:14|
C1CN=C(N1)c1cn(nc1-c1cccs1)-c1ccccc1
Clc1cccc(c1)-c1noc(n1)-c1ccc(cc1)C1=NCCN1 |t:21|
COc1ccc(cc1Cn1ccnc1C)C1=NCCN1
C1CN=C(N1)c1ccc(cc1)-c1nc(no1)-c1ccc(cc1)-c1ccccc1 |c:2|
COc1ccc(cc1OC)-c1noc(n1)-c1ccc(cc1)C1=NCCN1 |t:24|
C(Oc1ccccc1)c1noc(n1)-c1ccc(cc1)C1=NCCN1 |t:22|
C1CN=C(N1)c1cccc(c1)-c1noc(n1)-c1cccs1 |c:2|
C1CC1c1nc(no1)-c1ccc(cc1)C1=NCCN1 |t:17|
COc1cccc(c1)-c1noc(n1)-c1ccc(cc1)C1=NCCN1 |t:22|
CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1=NCCN1 |t:24|
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|
Cn1ncc2N3CCN=C3c3ccccc3Oc2c1=O |c:8|
Oc1cc(OCCCN2CCC(Cc3ccccc3)CC2)ccc1C(=O)\C=C\c1ccc(OCCCN2CCC(Cc3ccccc3)CC2)cc1
CCN(CC)CCCCOc1ccc(\C=C\C(=O)c2ccc(OCCCCN(CC)CC)cc2O)cc1
COc1cc(C=CC(=O)Nc2ccccc2COc2ccc(OC3CCNCC3)cc2)ccc1O
Oc1ccc(C=CC(=O)Nc2cccc(OCC3CCNCC3)c2)cc1
O=C(OCc1ccccc1)\C=C\C=C\c1ccc2OCOc2c1
OCC(=O)Nc1ccc(Cl)c(CCOc2cccc3C(CCc23)NCC#C)c1
Cc1ccc(CNc2cccc3C(CCc23)NCC#C)cc1
CC(=O)Nc1ccc(Cl)c(CCOc2cccc3C(CCc23)NCC#C)c1
CC(=O)OCC(=O)Nc1ccc(Cl)c(CCOc2cccc3C(CCc23)NCC#C)c1
Clc1ccc(CSc2cccc3C(CCc23)NCC#C)cc1
Fc1ccc(CSc2cccc3C(CCc23)NCC#C)cc1
Brc1cccc(CNc2cccc3C(CCc23)NCC#C)c1
OC(=O)c1cc(ccc1Cl)N1N=C(\C(=C\c2ccc(o2)-c2ccccc2)C1=O)C(F)(F)F |c:12|
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(CC(F)=CCN)c2ccc(cc12)C(O)=O
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(CC(F)=CCN)c2ccccc12
Fc1ccc(\C=C\C2CCN(CC#C)CC2)cc1
Fc1cccc(CCC2CCN(CC#C)CC2)c1
C#CCN1CCC(CC1)\C=C\c1ccc(cc1)C#N
Fc1cccc(\C=C/C2CCN(CC#C)CC2)c1
C#CCN1CCC(CC1)\C=C/c1ccccc1
C#CCN1CCC(CCc2ccccc2)CC1
Fc1ccccc1\C=C/C1CCN(CC#C)CC1
Fc1ccccc1\C=C\C1CCN(CC#C)CC1
Fc1ccccc1CCC1CCN(CC#C)CC1
CC(C)c1ccc(\C=C\C2CCN(CC#C)CC2)cc1
CC(C)c1ccc(CCC2CCN(CC#C)CC2)cc1
Clc1ccc(\C=C/C2CCN(CC#C)CC2)cc1
C#CCN1CCC(CC1)\C=C\c1ccc(cc1)C1CC1
CCCc1ccc(CCC2CCN(CC#C)CC2)cc1
Fc1ccc(\C=C/C2CCN(CC#C)CC2)c(Cl)c1
C#CCN1CCC(CC1)\C=C\c1ccccc1
C#CCN1CCC(CC1)\C=C/c1ccc(cc1)C1CC1
Fc1ccc(\C=C/C2CCN(CC#C)CC2)cc1
Fc1cc(F)c(\C=C/C2CCN(CC#C)CC2)cc1F
Fc1cccc(\C=C\C2CCN(CC#C)CC2)c1
Fc1ccc(\C=C\C2CCN(CC#C)CC2)c(Cl)c1
FC(F)(F)c1cccc(\C=C/C2CCN(CC#C)CC2)c1
C#CCN1CCC(CCc2ccc(cc2)C#N)CC1
Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4ccc(CCO)cc4)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4cccc(CO)c4)C3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4ccc(CO)cc4)CC3)ccc12
Cc1cc(=O)oc2cc(OCC3CCN(Cc4ccc(CO)cc4)CC3)ccc12
Cc1cc(=O)oc2cc(OCC3CCN(Cc4cccc(CO)c4)CC3)ccc12
Cc1cc2ccc(OCC3CCN(Cc4cccc(CO)c4)CC3)cc2oc1=O
Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4cccc(CO[N+]([O-])=O)c4)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccc(CO)cc4)C3)ccc12
Cc1c(C)c(=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(Cc4cccc(OCCCO[N+]([O-])=O)c4)CC3)ccc12
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|
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|
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|
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(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|
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|
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|
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(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(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|
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|
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|
[#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|
Oc1ccc(cc1)[C@H]1Oc2ccc(\C=C\c3cc(O)cc(O)c3)cc2[C@@H]1c1cc(O)cc(O)c1 |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]
[#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|
c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O
[#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|
O=C(CCC1NC(=O)NC1=O)NCCc1c[nH]c2ccccc12
CC(=O)c1ccc2Oc3ccccc3S(=O)(=O)c2c1
CCc1cccc2c1Oc1ccccc1S2(=O)=O
O=S1(=O)c2ccccc2Oc2cccc(C#C)c12
CCc1ccc2Sc3ccccc3Oc2c1
COC(C)c1cccc2Oc3ccccc3S(=O)(=O)c12
Cc1cccc2C(=O)c3cccc(C)c3S(=O)(=O)c12
COC(=O)C(=O)c1cccc2Oc3ccccc3S(=O)(=O)c12
OCc1cccc2Oc3ccccc3S(=O)(=O)c12
Ic1cccc2Oc3ccccc3S(=O)(=O)c12
CCc1cccc2c1sc1ccccc1c2=O
Brc1cccc2Oc3ccccc3S(=O)(=O)c12
Cc1cccc2Oc3ccccc3Sc12
CCc1cccc2C(=O)c3ccccc3S(=O)(=O)c12
BrCc1cccc2Oc3ccccc3S(=O)(=O)c12
Cc1ccc2c(Oc3ccccc3S2(=O)=O)c1
CC(=O)Oc1ccc2Oc3ccccc3S(=O)(=O)c2c1
FC(F)(F)c1cccc2Oc3ccccc3S(=O)(=O)c12
CCc1ccc2Oc3ccccc3S(=O)(=O)c2c1
Cc1cccc2Oc3cccc(C)c3S(=O)(=O)c12
Cc1cccc2c1sc1ccccc1c2=O
CCc1ccc2c(Oc3ccccc3S2(=O)=O)c1
Cc1cccc2Oc3ccccc3S(=O)c12
CCc1ccc2c(Oc3ccccc3S2=O)c1
COc1ccc2Oc3ccccc3S(=O)(=O)c2c1
Cc1cccc2c1Oc1ccccc1S2(=O)=O
CCOc1ccc2Oc3ccccc3S(=O)(=O)c2c1
Cc1cccc2Oc3ccccc3S(=O)(=O)c12
Brc1ccc2c(c1)C(=O)c1ccccc1S2(=O)=O
Brc1ccc2c(Oc3ccccc3S2(=O)=O)c1
OC(C[N+]([O-])=O)c1cccc2Oc3ccccc3S(=O)(=O)c12
Cc1cccc2C(=O)c3ccccc3S(=O)(=O)c12
CCc1c(OC)ccc2Oc3ccccc3S(=O)(=O)c12
CCc1cccc2Oc3cc(O)ccc3S(=O)(=O)c12
O=c1[nH]c2nnc(cc2c(=O)[nH]1)-c1ccccc1
O=C1CCCc2nnc(cc12)-c1ccccc1
Oc1ccc2cc(C(=O)CCN3CCCCC3)c(=O)oc2c1
Oc1ccc2cc(C(=O)CCN3CCCC3)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
CN(C)CCC(=O)c1cc2cc(Br)c(O)c(Br)c2oc1=O
Oc1c(Br)cc2cc(C(=O)CCN3CCCC3)c(=O)oc2c1Br
Cc1cc(O)cc2oc(=O)c(cc12)C(=O)CCN1CCOCC1
Oc1c(Br)cc2cc(C(=O)CCN3CCOCC3)c(=O)oc2c1Br
COc1ccc2cc(C(=O)CCN3CCCC3)c(=O)oc2c1
Cc1cc(O)cc2oc(=O)c(cc12)C(=O)CCN1CCCCC1
Oc1ccc2cc(C(=O)CCN3CCOCC3)c(=O)oc2c1
Cc1cc(O)cc2oc(=O)c(cc12)C(=O)CCN1CCCC1
CCN(CC)CCC(=O)c1cc2ccc(O)cc2oc1=O
COc1ccc2cc(C(=O)CCN3CCCCC3)c(=O)oc2c1
CN(C)CCC(=O)c1cc2c(C)cc(O)cc2oc1=O
CN(C)CCC(=O)c1cc2ccc(O)cc2oc1=O
CN(CC#C)Cc1cc2cc(OCc3ccccc3)ccc2n1C
COc1ccc2[nH]c3nc4CCCCc4c(N)c3c2c1
Nc1nc(cc(n1)-c1ccccc1OCC#C)-c1ccc(OCC#C)cc1
Nc1nc(cc(n1)-c1ccc(OCC#C)cc1)-c1ccc(OCC#C)cc1
Nc1nc(cc(n1)-c1cccc(OCC#C)c1)-c1ccc(OCC#C)cc1
Cc1nc(cc(n1)-c1cccc(OCC#C)c1)-c1ccc(OCC#C)cc1
C#CCOc1ccc(cc1)-c1cc(nc(n1)-c1ccccc1)-c1cccc(OCC#C)c1
COc1cc(ccc1OCC#C)-c1cc(nc(C)n1)-c1ccc(OCC#C)cc1
Cc1nc(cc(n1)-c1ccc(OCC#C)cc1)-c1ccc(OCC#C)cc1
C#CCOc1ccc(cc1)-c1cc(nc(n1)-c1ccccc1)-c1ccccc1OCC#C
C#CCOc1ccc(cc1)-c1cc(nc(n1)-c1ccccc1)-c1ccc(OCC#C)cc1
Cc1nc(cc(n1)-c1ccccc1OCC#C)-c1ccc(OCC#C)cc1
COc1cc(ccc1OCC#C)-c1cc(nc(n1)-c1ccccc1)-c1ccc(OCC#C)cc1
Cn1ncc2cc(\C=N\c3ccc(Cl)c(Cl)c3)ccc12
Fc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Fc1cc(NC(=O)c2ccc3[nH]ncc3c2)ccc1Cl
Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)\N=C\c1ccc2[nH]ncc2c1
Fc1ccc(cc1Cl)\N=C\c1ccc2[nH]ncc2c1
Clc1cc(cnc1Cl)\N=C\c1ccc2[nH]ncc2c1
COCCn1ncc2cc(\C=N\c3ccc(Cl)c(Cl)c3)ccc12
COCCn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Clc1cc(NC(=O)c2ccc3[nH]ncc3c2)cnc1Cl
Fc1cc(ccc1Cl)\N=C\c1ccc2[nH]ncc2c1
CC(=O)c1ccc(OCCCCCCCCCCN2CCN(Cc3ccccc3)CC2)cc1O
CC(=O)c1ccc(OCCCCCCN2CCc3ccccc3C2)cc1O
CC(=O)c1ccc(OCCCCCCN2CCC(Cc3ccccc3)CC2)cc1O
CC(=O)c1ccc(OCCCN2CCC(CC2)c2ccccc2)cc1O
CC(=O)c1ccc(OCCCCCCCCCN2CCN(Cc3ccccc3)CC2)cc1O
CC(=O)c1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1O
FC(F)Oc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1
Oc1ccccc1C(=O)\C=C\c1cccc(OCCCCCCN2CCc3ccccc3C2)c1
COc1ccccc1\C=C\C(=O)c1ccc(OCCCCN2CCc3ccccc3C2)cc1O
Oc1ccccc1C(=O)\C=C\c1cccc(OCCCN2CCc3ccccc3C2)c1
Oc1cc(OCCCN2CCc3ccccc3C2)ccc1C(=O)\C=C\c1ccc(F)cc1
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|
Fc1ccc(cc1F)[C@@H]1C[C@H]1NC1CCN(CC1)c1ncnc2sc(CC(F)(F)F)cc12 |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:4.7,25.29,1.0,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,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,)|
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(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,)|
[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,)|
FC(F)(F)Cc1cc2c(ncnc2s1)N1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |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:4.7,23.25,1.0,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,)|
Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1
CC(=O)N[C@@H]1CN(C(=O)C1)c1ccc(OCc2cccc(F)c2)cc1 |r|
Fc1cc(ccc1Cl)C(=O)Nc1cc2cc[nH]c2cn1
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)NCCN3CCOCC3)c(O)c2C(=O)O1 |r|
COc1ccc(NCc2cc(C)c3C[C@@H](C)OC(=O)c3c2O)cc1 |r|
C[C@@H]1Cc2c(C)cc(Cl)c(O)c2C(=O)O1 |r|
CC[C@@H]1Cc2c(C)ccc(O)c2C(=O)O1 |r|
CC[C@@H]1Cc2c(C)cc(c(O)c2C(=O)O1)-c1ccc(N)cc1 |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)-c1cccnc1 |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(cc1)C(F)(F)F |r|
C[C@@H]1Cc2c(C)cc(c(O)c2C(=O)O1)-c1ccccc1 |r|
C[C@@H]1Cc2c(C)cc(C(=O)N3CCN(C)CC3)c(O)c2C(=O)O1 |r|
C[C@@H]1Cc2c(C)cc(C(=O)N(C)C)c(O)c2C(=O)O1 |r|
C[C@@H]1Cc2c(C)cc(NC(=O)C=C)c(O)c2C(=O)O1 |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)[N+]([O-])=O |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|
CCCCc1cc(C)c2C[C@@H](C)OC(=O)c2c1O |r|
C[C@@H]1Cc2c(C)cc(I)c(O)c2C(=O)O1 |r|
C[C@@H]1Cc2c(C)cc(Br)c(O)c2C(=O)O1 |r|
C[C@@H]1Cc2c(CO)ccc(O)c2C(=O)O1 |r|
CCc1ccc(O)c2C(=O)O[C@H](C)Cc12 |r|
C[C@H]1Cc2cccc(O)c2C(=O)O1 |r|
C[C@@H]1Cc2cccc(O)c2C(=O)O1 |r|
Cc1ccc(O)c2C(=O)OCCc12
C[C@H]1Cc2c(C)ccc(O)c2C(=O)O1 |r|
COc1ccc(C)c2C[C@@H](C)OC(=O)c12 |r|
C[C@@H]1Cc2c(C)ccc(O)c2C(=O)O1 |r|
C[C@@H]1Cc2c(C)cc(c(O)c2C(=O)O1)-c1cncnc1 |r|
C[C@@H]1Cc2c(C)cc(c(O)c2C(=O)O1)-c1cccc(N)c1 |r|
C[C@@H]1Cc2c(C)cc(c(O)c2C(=O)O1)-c1ccc(C)cc1 |r|
C[C@@H]1Cc2c(C)cc(C(=O)N3CCOCC3)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|
CCc1cc(C)c2C[C@@H](C)OC(=O)c2c1O |r|
C[C@@H]1Cc2c(O)ccc(O)c2C(=O)O1 |r|
Cc1ccc(O)c2C(=O)OC(C)(C)Cc12
COc1ccc(C)c2C[C@H](C)OC(=O)c12 |r|
C[C@@H]1Cc2c(C)cc(C)c(O)c2C(=O)O1 |r|
CCCc1cc(C)c2C[C@@H](C)OC(=O)c2c1O |r|
Cc1cc2cccc(O)c2c(=O)o1
C[C@@H]1Cc2c(C)cc(c(O)c2C(=O)O1)-c1ccncc1 |r|
CCN(CC)C(=O)c1cc(C)c2C[C@@H](C)OC(=O)c2c1O |r|
COc1cccc2C[C@@H](C)OC(=O)c12 |r|
C[C@@H]1Cc2c(ccc(O)c2C(=O)O1)C(O)=O |r|
C#CCNC1CCc2cc(OCCCN3CCCCC3)ccc12
C#CCNC1CCc2ccc(OCCCN3CCCCC3)cc12
Clc1ccc(COc2ccc3NC(=O)C(=O)c3c2)cc1Cl
Clc1ccc(COc2ccc3NC(=O)Cc3c2)cc1Cl
Fc1ccc(COc2ccc3NC(=O)Cc3c2)cc1
Fc1ccc(COc2ccc3NC(=O)C(=O)c3c2)cc1
Cn1c2cc(OCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O
CCn1c2cc(OCc3ccc(cc3)C(F)(F)F)ccc2[nH]c1=O
CC(C)c1ccc(OCCOc2ccc3[nH]c(=O)n(C(C)C)c3c2)cc1
Cn1c2ccc(OCc3cccc(Cl)c3)cc2[nH]c1=O
CC(C)C1C(=O)Nc2ccc(OCc3cccc(F)c3)cc12
Cn1c2cc(OCCCc3ccccc3)ccc2[nH]c1=O
CCn1c2cc(OCCOc3cccc(F)c3)ccc2[nH]c1=O
CC1(C)C(=O)Nc2ccc(OCc3ccc(Cl)c(Cl)c3)cc12
Fc1ccc(CCOc2ccc3NC(=O)C(=O)c3c2)cc1
CCn1c2cc(OCCOc3ccc(cc3)C(C)C)ccc2[nH]c1=O
Fc1ccc(CCOc2ccc3NC(=O)Cc3c2)cc1
Clc1cccc(COc2ccc3NC(=O)C(=O)c3c2)c1
CC1(C)C(=O)Nc2ccc(OCc3cccc(Cl)c3)cc12
Cn1c2cc(OCc3ccc(Cl)cc3)ccc2[nH]c1=O
Cn1cc(cn1)-c1cc(cc(c1)S(=O)(=O)c1csc(CN)n1)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)c1cnc(CN)s1)S(C)(=O)=O
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
c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O
Oc1cn2CCN(Cc3ccccc3Cl)Cc2cc1=O
Oc1cn2CCN(Cc3ccc(Cl)cc3Cl)Cc2cc1=O
Cc1cc(Nc2nccc(n2)-c2sc(nc2-c2ccc(F)cc2)C2CCNCC2)ccn1
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2ccc(=O)oc12
O=c1ccc2ccc3occc3c2o1
COc1cc(O)c2c(c1)oc(-c1ccc(O)cc1)c(O)c2=O
Oc1ccc(\C=C\c2cc(O)cc3O[C@H]([C@@H](c23)c2cc(O)cc(O)c2)c2ccc(O)cc2)cc1 |r|
O=c1ccc2c3occc3ccc2o1
COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
C\C(CCC(O)C(C)=C)=C/COc1ccc2ccc(=O)oc2c1
COc1cc2c(cc1O)OC(=O)C=C2
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12
C(NCc1ccccc1)c1cc2ccccc2[nH]1
CNCc1cn(Cc2ccccc2)c2ccccc12
CCNCc1cn(Cc2ccccc2)c2ccccc12
COc1ccc2n(C)c(CN(C)CC#CC)cc2c1
CC#CCN(Cc1cc2ccccc2n1C)Cc1ccccc1
Cn1c(CN(CC#C)Cc2ccccc2)cc2ccccc12
COc1ccc2n(C)c(CNCC#C)cc2c1
COc1ccc2n(C)c(CN(C)CC#C)cc2c1
C#CCN(Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccccc1
CC#CCN(C)Cc1cc2ccccc2n1C
Cn1c(CNCC#C)cc2ccccc12
CC#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1
CC(C)NCc1cn(Cc2ccccc2)c2ccccc12
C(NCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
CC#CCN(C)Cc1cc2cc(O)ccc2n1C
CN(CC#C)Cc1cc2ccccc2n1C
Cn1c(CNCC#C)cc2cc(O)ccc12
CN(CC#C)Cc1cc2cc(O)ccc2n1C
C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1
CN(CC#C)Cc1cn(Cc2ccccc2)c2ccccc12
Cn1c(CNCc2ccccc2)cc2ccccc12
Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccc(Cl)cc4)C3)ccc12
CCCCN1CCC(CC1)Oc1ccc2c(C)c(C)c(=O)oc2c1
Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4ccc(cc4)C#N)CC3)ccc12
CN1CCC(CC1)Oc1ccc2c(C)c(C)c(=O)oc2c1
Cc1c(C)c(=O)oc2cc(OC3CCN(Cc4ccc(cc4)C#N)CC3)ccc12
CN1CCCC(COc2ccc3c(C)c(C)c(=O)oc3c2)C1
Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4cccc(Br)c4)C3)ccc12
Cc1c(C)c(=O)oc2cc(OCCCCN3CCc4ccccc4C3)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(Cc4cccc(Cl)c4)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OC3CCN(Cc4ccc(Cl)cc4)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OC3CCN(CC(=O)c4ccccc4)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4cccc(Cl)c4)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(cc4)S(C)(=O)=O)C3)ccc12
Cc1c(C)c(=O)oc2cc(OC3CCN(CCc4ccccc4)CC3)ccc12
CN1CCC(COc2ccc3c(C)c(C)c(=O)oc3c2)CC1
Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccc(F)cc4)C3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OC3CCN(Cc4ccccc4)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccc(cc4)C#N)C3)ccc12
Cn1c2nc3CN(CCc4cccc(Cl)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)c1cccc(Cl)c1
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)[C@@H]1CCCc2ccccc12 |r|
Cn1c2nc3CN(Cc4csc(n4)-c4cccc(Cl)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCn4cccc4)CCn3c2c(=O)n(C)c1=O
CC(CN1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21)c1ccccc1
COc1ccc(Br)cc1CCN1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21
Cn1c2nc3CN(CCc4ccc(Cl)cc4Cl)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4cccc(F)c4)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)c1cccc(F)c1
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)c1ccccc1
Cn1cnc2c1C(=O)N(C(=O)N2C)C
Cn1c2nc3CN(Cc4csc(n4)-c4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCOc4ccc(Cl)c(Cl)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCCn4cccc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCCc4cccc(Br)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCCc4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O
COc1cccc2C[C@H](CCc12)N1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21 |r|
Cn1c2nc3CN(CCc4cccs4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4ccccc4Cl)CCn3c2c(=O)n(C)c1=O
COc1cccc(c1)N1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21
Cn1c2nc3CN(Cc4ccc(Cl)c(Cl)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCCc4ccccc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCc4ccc(Cl)c(Cl)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CC#Cc4cccc(Cl)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3CN(CCOc4ccccc4)CCn3c2c(=O)n(C)c1=O
[#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|
COc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
[H][C@@]12COc3c(O)c(OC)ccc3[C@]1([H])Oc1cc3OCOc3cc21 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1 |r|
[#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|
[H][C@@]12COc3cc(O)ccc3[C@]1([H])Oc1cc3OCOc3cc21 |r|
Cc1ccc(OC(=O)c2coc3ccccc3c2=O)cc1
[H][C@](C)(Cc1ccccc1)N(C)CC#C
Cc1ccc(SC(=O)c2coc3ccccc3c2=O)cc1
Cc1ccc(NCc2coc3ccccc3c2=O)cc1
CN(CC#C)Cc1cn(Cc2ccccc2)nn1
CCn1cc(CN(C)CC#C)nn1
CN(CCc1ccc(Cc2cn(C)nn2)cc1)CC#C
CN(CC#C)Cc1ccc(Cc2cn(C)nn2)cc1
CCCc1c(CCN(C)CC#C)nnn1-c1ccccc1
CCc1c(CCN(C)CC#C)nnn1-c1ccccc1
CCCCc1c(CN(C)CC#C)nnn1C
CN(CCc1cn(CCc2ccccc2)nn1)CC#C
CCn1nnc(CN(C)CC#C)c1C
CCn1nnc(CCN(C)CC#C)c1C
CN(CC#C)Cc1cn(CCc2ccccc2)nn1
CCn1cc(CCN(C)CC#C)nn1
CN(CCc1cn(Cc2ccccc2)nn1)CC#C
CCCCc1c(CCN(C)CC#C)nnn1-c1ccccc1
CC(c1ccccc1)n1nnc(CCN(C)CC#C)c1C
CN(CC#C)Cc1cccc(Cc2cn(C)nn2)c1
Cn1c2nc3N(Cc4ccc(Cl)c(F)c4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4cccc(Br)c4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccccc4Cl)CCCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Cl)c(Cl)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccccc4Br)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccccc4F)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(F)c(Br)c4)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
COc1ccc(Cl)c(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)c1F
Cc1cccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)c1
Cn1c2nc3N(Cc4ccccc4F)CCCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccccc4Br)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(F)c(Br)c4)CCn3c2c(=O)n(C)c1=O
COc1ccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1Cl
Cn1c2nc3N(Cc4ccccc4Br)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4cccc(Br)c4)CCCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Cl)cc4Cl)CCCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4cccc(Br)c4)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(Cl)c(c4)C(F)(F)F)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4c(F)cccc4Cl)CCCn3c2c(=O)n(C)c1=O
COc1ccccc1CN1CCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Cn1c2nc3N(Cc4ccc(Cl)c(Cl)c4)CCCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(Cc4ccc(F)c(Br)c4)CCCCn3c2c(=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])cc1-[#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])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]-[#6] |r,c:10,t:26|
CN1CCc2c[nH]c3ccc(O)c(C1)c23
C[N+]1([O-])CCc2c[nH]c3ccc(O)c(C1)c23
C[N+]1=Cc2c(O)ccc3[nH]cc(CC1)c23 |t:1|
[H][C@@]1(O[C@@H]2OC=C(C(=O)OC)[C@@]([H])(C[C@@H]3N(C)CCc4c[nH]c5ccc(O)c3c45)[C@H]2C=C)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:5|
[H][C@@]1(O[C@@H]2OC=C(C(=O)OC)[C@@]([H])(C[C@H]3N(C)CCc4c[nH]c5ccc(O)c3c45)[C@H]2C=C)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:5|
[H][C@@]1(O[C@@H]2OC=C(C(=O)OC)[C@@]([H])(C[C@@H]3N(C)CCc4c[nH]c5ccc(O)c3c45)[C@H]2C=C)O[C@H](COC(=O)\C=C\c2ccc(OC)c(OC)c2)[C@@H](O)[C@H](O)[C@H]1O |r,t:5|
CN(CC#C)Cc1cc2ccccc2oc1=O
COc1ccc2cc(CN(C)CC#C)c(=O)oc2c1
CN(CC#C)c1nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N
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
Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)\C=C\c1cccc(Br)c1
COc1cccc(\C=C\C(=O)c2cc(O)c(O)c(c2)[N+]([O-])=O)c1
CC(NC(=O)c1ncc2ccccc2c1O)c1ccc(F)cc1
c1ccc(c(c1)COc2ccc(cc2)[C@H]3CC[C@H](N3)C(=O)N)F
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CCO)C2 |r|
NN(CCc1ccccc1)CC#C
C#CCNNCCc1ccccc1
C#CCNNC\C=C\c1ccccc1
NN(C\C=C\c1ccccc1)CC#C
C#CCNNCc1ccccc1
NN(CC#C)Cc1ccccc1
NN(CC#C)c1ccccc1
Cn1c(cc2ccccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
Cn1c(cc2cc(F)ccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
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
CCN(C)C(=O)Oc1ccc(\C=C\C(=O)N2CCCCC2)cc1OC
COc1cc(\C=C\C(=O)N2CCCCC2)ccc1OC(=O)N(C)C
COc1cc(\C=C\C(=O)N2CCCCC2)ccc1OC(=O)N(c1ccccc1)c1ccccc1
CCN(C)C(=O)Oc1ccc(\C=C\C(=O)N(CC)Cc2ccccc2)cc1OC
CCN(Cc1ccccc1)C(=O)\C=C\c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)c(OC)c1
CCN(CC)C(=O)\C=C\c1ccc(OC(=O)N(C)C)c(OC)c1
CCN(C)C(=O)Oc1ccc(\C=C\C(=O)N2CCC(Cc3ccccc3)CC2)cc1
CCN(C)C(=O)Oc1ccc(\C=C\C(=O)N2CCc3ccccc3C2)cc1
CCN(C)C(=O)Oc1ccc(\C=C\C(=O)N2CCN(Cc3ccccc3)CC2)cc1
O=C(NC1CCN(Cc2ccccc2)CC1)c1coc2ccc(OCc3ccccc3)cc2c1=O
O=C(NCCC1CCN(Cc2ccccc2)CC1)c1coc2ccc(OCc3ccccc3)cc2c1=O
CCNc1nnc(SCC(=O)N(Cc2cccc(c2)[N+]([O-])=O)c2ccc(F)cc2)s1
COCCNc1nnc(SCC(=O)N(Cc2cccc(c2)[N+]([O-])=O)c2ccc(F)cc2)s1
CCCNc1nnc(SCC(=O)N(Cc2cccc(c2)[N+]([O-])=O)c2ccc(F)cc2)s1
CC(C)Nc1nnc(SCC(=O)N(Cc2cccc(c2)[N+]([O-])=O)c2ccc(F)cc2)s1
[O-][N+](=O)c1cccc(CN(C(=O)CSc2nnc(NCC=C)s2)c2ccc(F)cc2)c1
CCCCNc1nnc(SCC(=O)N(Cc2cccc(c2)[N+]([O-])=O)c2ccc(F)cc2)s1
CC(C)CNc1nnc(SCC(=O)N(Cc2cccc(c2)[N+]([O-])=O)c2ccc(F)cc2)s1
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|
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|
NC(=O)[C@@H]1CC(F)(F)CN1Cc1ccc(OCc2cccc(F)c2)cc1 |r|
NC(=O)[C@@H]1COCCN1Cc1ccc(OCc2cccc(F)c2)cc1F |r|
CN(CC#C)Cc1ccc(OCCCCCN2CCN(CC2)c2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
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
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
CC(=O)N1N=C(CC1c1ccccc1C)c1ccc(O)cc1O |c:4|
CC(=O)N1N=C(CC1c1cccc(C)c1)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
[H][C@@]12COc3cc(N4CCSCC4)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
[H][C@@]12COc3cc(N4CC[S+]([O-])CC4)c(F)cc3N1C(=O)O[C@H]2CNC(C)=O |r|
Cc1nc(cs1)C#Cc1cccnc1
Cc1cccc(n1)C#Cc1ccccc1
NC(=O)\C=C1/CCc2c1cc(F)cc2F
c1cc([nH]c1)C(=O)NCc2ccc(cc2)F
O=C(NCCN1CCOCC1)c1ccc[nH]1
CN(Cc1ccccc1)C(=C)c1ccc[nH]1
CN(Cc1ccccc1F)C(=O)c1cccn1C
CN(CC#C)C(=C)c1ccc[nH]1
CN(Cc1ccccc1)C(=O)c1cccn1C
Cn1cccc1C(=O)NCc1cccc(F)c1
Cn1cccc1C(=O)NCc1ccc(F)cc1
O=C(NCC1CCCCC1)c1ccc[nH]1
Cn1cccc1C(=O)NCc1ccccc1F
CN(Cc1ccc(F)cc1)C(=O)c1cccn1C
Cn1cccc1C(=O)NCc1ccccc1
CN(Cc1cccc(F)c1)C(=O)c1cccn1C
Fc1cccc(CNC(=O)c2ccc[nH]2)c1
Fc1ccccc1CNC(=O)c1ccc[nH]1
CN(Cc1ccccc1)C(=C)c1cccn1C
COc1ccc2[nH]cc(CCc3nn(CC4CCCC4)c(=O)o3)c2c1
COc1ccc2CCC=C(\C=C\c3n[nH]c(=O)o3)c2c1 |t:8|
COc1ccc2[nH]cc(CCc3nn(CC4CCC4)c(=O)o3)c2c1
COc1ccc2[nH]cc(\C=C\c3n[nH]c(=O)o3)c2c1
CNc1nnc(CCc2c[nH]c3ccc(OC)cc23)o1
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
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
Cc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1C |t:8|
Clc1cccc(NC(=O)C2=Cc3ccccc3OC2)c1 |t:9|
Clc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1Cl |t:8|
O=c1c(\C=C\c2ccccc2)coc2ccccc12
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(Cl)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
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
CC(C)(C)OC(=O)C(Cc1ccccc1)NC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
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
C(c1ccccc1)c1nc2ccccc2n2cnnc12
C(C1=Nc2ccccc2NC1N\N=C\c1ccccc1)c1ccccc1 |t:1|
[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|
Nc1nnc2c3ccccc3[nH]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,;4.73,1.37,;6.27,1.44,;7.1,.14,;8.64,.2,;9.45,-1.1,;8.73,-2.45,;7.19,-2.52,;6.38,-1.21,;4.84,-1.26,)|
Cn1c2ccccc2c2nnc(N)c(-c3cccc(Br)c3)c12
CC(C)c1ccc(cc1)-c1c(N)nnc2c3ccccc3n(C)c12
CC(C)c1ccc(cc1)-c1c(N)nnc2c3cc(Br)ccc3[nH]c12
CN(C)c1ccc(cc1)-c1c(N)nnc2c3ccccc3[nH]c12
Cc1ccc(cc1)-c1c(N)nnc2c3ccccc3[nH]c12
Nc1nnc2c3ccccc3[nH]c2c1-c1ccccc1F |(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,;4.73,1.37,;6.27,1.44,;7.1,.14,;8.64,.2,;9.45,-1.1,;8.73,-2.45,;7.19,-2.52,;6.38,-1.21,;4.84,-1.26,)|
Nc1nnc2c3cc(Br)ccc3[nH]c2c1-c1ccccc1
CC(C)c1ccc(cc1)-c1c(N)nnc2c3ccccc3[nH]c12
Cn1c2ccccc2c2nnc(N)c(-c3ccccc3)c12
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,)|
CCn1c2ccccc2c2nnc(N)c(-c3ccc(cc3)C(C)C)c12
CC(C)c1ccc(cc1)-c1c(N)nnc2c3ccccc3n(CCN(C)C)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](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|
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|
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
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(Cc1ccccc1)Cc2ccc(cc2)COc3ccc4c(c3)OC(=O)C=C4CO
CC1=C(C(=O)Oc2c1ccc(c2)OCC3CCN(CC3)Cc4ccccc4)C
COc1cc2oc3c(OC)cccc3c(=O)c2c(OC)c1OC
Oc1ccc2c(c1)oc1ccccc1c2=O
Oc1ccc2oc3ccccc3c(=O)c2c1
O=c1c2ccccc2oc2ccccc12
Cc1c(O)cc2oc3ccccc3c(=O)c2c1O
COc1cccc2oc3ccccc3c(=O)c12
Oc1cccc2c1oc1ccccc1c2=O
Oc1cccc2oc3ccccc3c(=O)c12
COc1c(O)cc2oc3c(OC)c(O)ccc3c(=O)c2c1O
COc1cccc2c1oc1ccccc1c2=O
COc1ccc2oc3ccccc3c(=O)c2c1
Cc1c(O)c(Br)c2oc3ccccc3c(=O)c2c1O
Oc1cccc2c1oc1cccc(O)c1c2=O
COc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O
COc1cc(O)c2c(c1)oc1c(OC)cccc1c2=O
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])cc(-[#8])c2c1oc1c(-[#8])cccc1c2=O
COc1cccc2c1oc1cc(O)ccc1c2=O
COc1cc(O)c2c(c1)oc1c(O)cccc1c2=O
COc1ccc2c(oc3ccccc3c2=O)c1OC
COc1cccc2c1oc1cc(O)c(OC)c(O)c1c2=O
COc1c(O)cc2oc3c(O)cccc3c(=O)c2c1O
c1cc(c2c(c1O)C(=O)c3c(cc(cc3O2)O)O)O
Oc1ccc2c(c1)oc1c(O)cccc1c2=O
COc1cc(O)c2c(c1)oc1ccc(OC)c(OC)c1c2=O
COc1cc(OC)c2c(c1)oc1ccccc1c2=O
[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#8])c2c(oc3c(-[#8])cccc3c2=O)c1-[#8]
COc1cc(OC)c2c(c1)oc1c(OC)cccc1c2=O
Oc1cc(O)c2c(c1)oc1c(O)cccc1c2=O
COc1cccc2oc3c(O)cccc3c(=O)c12
Oc1cc(O)c2c(c1)oc1ccc(O)c(O)c1c2=O
COc1cc(O)c2c(c1)oc1ccc(O)c(O)c1c2=O
COc1cc(O)c2oc3c(C)ccc(OC)c3c(=O)c2c1
[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#8])c2oc3c(-[#8])cccc3c(=O)c2c1-[#8]
Cc1c(O)cc(O)c2c1oc1ccccc1c2=O
COc1ccc2c(c1)oc1ccccc1c2=O
COc1cc(O)c2c(c1)oc1ccccc1c2=O
COc1ccc2c(oc3ccccc3c2=O)c1O
COc1ccc2c(c1)oc1c(OC)cccc1c2=O
c1c(cc2c(c1O)C(=O)c3cc(c(cc3O2)O)O)O
Cc1c(O)c(Cl)c2oc3ccccc3c(=O)c2c1O
COc1c(O)ccc2c1oc1ccccc1c2=O
Oc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1
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
Fc1cc(ccn1)-c1ccc2c(n1)[nH]c1ccncc21
Fc1cc(ccn1)-c1cc2[nH]c3ccncc3c2cn1
Fc1cc(ccn1)-c1cnc2c(c1)[nH]c1ccncc21
Fc1ncccc1-c1ccc2c(n1)[nH]c1ccncc21
Fc1ncccc1-c1cc2[nH]c3ccncc3c2cn1
Fc1ncccc1-c1cnc2c(c1)[nH]c1ccncc21
Fc1cc(ccn1)-c1ccc2c(c1)[nH]c1ccncc21
Fc1ncccc1-c1ccc2c(c1)[nH]c1ccncc21
Fc1cc(ccn1)-c1nc2[nH]c3ccncc3c2s1
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
CN(CC#C)Cc1cccc(NC(=O)CCCCCCC(=O)NO)c1
CC(C)(C)OC(=O)c1cn(C[C@H]2CN(C(=O)O2)c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)nn1 |t:22|
Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2cc(COP(=O)(Oc3ccccc3)Oc3ccccc3)nn2)OC1=O |t:8|
Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2cc(C=O)nn2)OC1=O |t:8|
Fc1cc(ccc1-[#6]-1=[#6]-[#6]S(=O)(=O)[#6]-[#6]-1)-[#7]-1-[#6]-[#6@H](-[#6]-n2cc(\[#6]=[#6](/Br)Br)nn2)-[#8]-[#6]-1=O |t:8|
OCc1cn(C[C@H]2CN(C(=O)O2)c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)nn1 |t:17|
C[Si](C)(C)C#Cc1cn(C[C@H]2CN(C(=O)O2)c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)nn1 |t:21|
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(C2=CCS(=O)(=O)CC2)c(F)c1 |t:16|
CC(C)c1cn(C[C@H]2CN(C(=O)O2)c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)nn1 |t:18|
Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2cc(Br)nn2)OC1=O |t:8|
Cc1cnnn1C[C@H]1CN(C(=O)O1)c1ccc(C2=CCS(=O)(=O)CC2)c(F)c1 |t:19|
Fc1cn(C[C@H]2CN(C(=O)O2)c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)nn1 |t:16|
Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2cc(nn2)C#C)OC1=O |t:8|
Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2cc(Cl)nn2)OC1=O |t:8|
Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2ccnn2)OC1=O |t:8|
CCc1cn(C[C@H]2CN(C(=O)O2)c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)nn1 |t:17|
Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2cc(\C=C\Br)nn2)OC1=O |t:8|
Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2cc(CC#N)nn2)OC1=O |t:8|
Cc1cn(C[C@H]2CN(C(=O)O2)c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)nn1 |t:16|
Fc1cnnn1C[C@H]1CN(C(=O)O1)c1ccc(C2=CCS(=O)(=O)CC2)c(F)c1 |t:19|
COc1ccc2c(c1)[nH]c1c(C)nccc21
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
COc1cc(S)c(cc1OC)\N=N\c1ccc(C#N)c(c1)C#N
COc1cc(S)c(cc1OC)\N=N\c1cccc(C#N)c1C#N
NC\C(CCc1ccc(F)cc1)=C\F
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
CC(Cc1ccccc1)NCC(N)Cc1ccccc1
CCCCCSc1cc(OC)c(CC(C)N)cc1OC
CCOc1ccc(CC(C)N)cc1
CC(C)CSc1ccc(CC(C)N)cc1
CCCSc1cc(OC)c(CC(N)CC)cc1OC
COc1cc(CC(C)N)c(OC)cc1C
COc1ccc(CC(C)N)cc1OC
CCCSc1cc(OC)c(CC(C)N)cc1OC
COc1cc(Br)c(CC(C)N)cc1OC
COc1cc(SC)cc(OC)c1CC(C)N
CSc1ccc(CC(C)N)cc1
CCCSc1cc(OC)c(CC(C)NC)cc1OC
CCSc1cc(OC)c(CC(C)N)c(OC)c1
COc1cc(CC(C)N)c(OC)cc1I
CCSc1ccc(CC(C)N)cc1
COc1cc(SC)c(OC)cc1CC(C)N
COc1cc(c(OC)cc1CC(C)N)[N+]([O-])=O
COc1cc(c(OC)cc1CC(C)N)C(F)(F)F
COc1cc(OC)c(CC(C)N)c(OC)c1
CCSc1cc(OC)c(CC(N)CC)cc1OC
COc1cc(SC(C)C)c(OC)cc1CC(C)N
COc1ccc(CC(C)N)c(OC)c1
COc1cc(OC)c(CC(C)N)cc1Br
CNC(C)Cc1cc(OC)c(SC)cc1OC
CCCSc1cc(OC)c(CC(CC)NC)cc1OC
COc1cc(SCCc2ccccc2)c(OC)cc1CC(C)N
COc1cc(CC(C)N)c(OC)cc1N
COc1ccc(OC)c(CC(C)N)c1
COc1cc(Cl)c(CC(C)N)c(OC)c1
COc1ccc(CC(C)N)cc1
CC(N)Cc1ccc(Cl)cc1
CCSc1cc(OC)c(CC(C)N)cc1OC
COc1cc(CC(C)N)c(OC)cc1Br
CCSc1cc(OC)c(CC(C)NC)cc1OC
CCCCSc1cc(OC)c(CC(C)N)cc1OC
CCSc1cc(OC)c(CC(CC)NC)cc1OC
CCC(Cc1cc(OC)c(SC)cc1OC)NC
CCC(N)Cc1cc(OC)c(SC)cc1OC
C\C(=N/NC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O)c1ccc(O)cc1
COc1cc2CCNCc2cc1OC
COc1cc2CCN(CCCOc3ccc(C(C)=O)c(O)c3)Cc2cc1OC
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
COc1cc2c(Nc3ccc(cc3)C(=O)\C=C\c3nc(C)c(C)nc3C)ncnc2c(OC)c1OC
Cn1c(N\N=C(/C=C/c2cccc(Cl)c2)\c2ccccc2)nc2ccccc2c1=O
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(N)c1ccccc1
Cn1cccc1C(=O)C(N1CCSCC1)c1ccccc1
CN1CCN(CC1)C(C(=O)c1cccn1C)c1ccccc1
Cn1cccc1C(=O)[C@@H](N1CCSCC1)c1ccccc1
Cn1cccc1C(=O)C(N1CCN(Cc2ccccc2)CC1)c1ccccc1
Cn1cccc1C(=O)C(N1CCOCC1)c1ccccc1
Cn1cccc1C(=O)C(N1C(=O)c2ccccc2C1=O)c1ccccc1
Cn1cccc1C(=O)[C@H](N1CCCCC1)c1ccccc1
CCOc1ccc(NC(C(=O)c2cccn2C)c2ccccc2)cc1
Cn1cccc1C(=O)[C@@H](N1CCCC1)c1ccccc1
CN(C)C(C(=O)c1cccn1C)c1ccccc1
Cn1cccc1C(O)CN1CCCCC1
Cn1cccc1C(O)C(N1CCCCC1)c1ccccc1
Cn1cccc1C(=O)[C@@H](N1CCCCC1)c1ccccc1
Cn1cccc1C(=O)[C@H](N1CCCC1)c1ccccc1
Cn1cccc1C(=O)C(N1CCCCC1)c1ccccc1
Cn1cccc1C(=O)[C@H](N1CCSCC1)c1ccccc1
Cn1cccc1C(=O)CN1CCCCC1
CC(N1CCCCC1)C(=O)c1cccn1C
Cn1cccc1C(=O)C(N1CCCC1)c1ccccc1
Clc1ccc(\C=N\c2ccc3cn[nH]c3c2)cc1Cl
Cc1ncc(\C=C\c2ccc(CN3CCOCC3)c(O)c2)c(CO)c1O
CCN(CCCCOc1ccc(\C=C\C(=O)N2CCc3ccccc3C2)cc1OC)Cc1ccccc1
Nc1nc(cc(n1)-c1ccc(OCC#C)cc1)-c1ccc(OCCN2CCOCC2)cc1
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/c3cccnc3Cl)C(=O)c2c1
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
CCC1C\C(=C/c2cc(OC)c(OC)c(OC)c2Br)C(=O)c2ccccc12
COc1ccc(\C=C2/CCc3cc(ccc3C2=O)[N+]([O-])=O)c(Cl)c1OC
COc1cc(\C=C2/CCc3cc(ccc3C2=O)[N+]([O-])=O)c(Br)c(OC)c1OC
OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Nc1c2ccccc2nc2ccccc12
Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1
c1ccc2c(c1)C(=O)c3ccccc3C2=O
Oc1cccc2C(=O)c3c(O)cccc3C(=O)c12
O=C1c2ccccc2Cc2ccccc12
O=C1c2ccccc2C(=O)c2cnccc12
Clc1c2ccccc2nc2ccccc12
COC1=CC2Sc3ccc(Cl)cc3NC2C=C1 |c:17,t:2|
Clc1ccc2SC3C=CC=CC3Nc2c1 |c:7,9|
Nc1c(C(O)=O)c2nc3c(cccc3oc2cc1=O)C(O)=O
Nc1ccc2C(=O)c3ccccc3C(=O)c2c1N
Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O
Cc1ccc2nc3c(ccc4ccccc34)c(C)c2c1
OC1c2ccccc2Oc2ccccc12
Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O
CN1c2ccccc2Sc2ccccc12
O=C1c2ccccc2C(=O)c2c1ccc1c2[nH]c2ccccc2c1=O
O=C1C(=O)c2ccccc2-c2ccccc12
c1cc(c(c2c1C(=O)c3c(ccc(c3C2=O)O)O)O)O
Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12
CC1(C)CC(=O)C2=C(C1)C(=O)C1=C(C2)C(=O)CC(C)(C)C1 |c:6,12|
C1c2ccccc2Oc2ccccc12
CNCCNc1nc2ccccc2nc1Cc1ccccc1
Clc1cc2nc(Cc3ccccc3)c(NCCN3CCOCC3)nc2cc1Cl
C(CN1CCOCC1)Nc1nc2ccccc2nc1Cc1ccccc1
Clc1ccc(Cc2nc3ccccc3nc2NCCN2CCOCC2)cc1
OCCNc1nc2ccccc2nc1Cc1ccccc1
NNc1nc2ccccc2nc1Cc1ccccc1
NNc1nc2cc(Cl)c(Cl)cc2nc1Cc1ccccc1
NNc1nc2ccccc2nc1Cc1ccc(Cl)cc1
CN(CC#C)C1CCc2ccccc2C1
C#CCNC1CCc2ccccc2C1
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(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|
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|
Cc1cc(=O)oc2cc(OC3CCCCC3=O)ccc12
Cc1cc(=O)oc2cc3oc4ccccc4c3cc12
Cc1cc(=O)oc2cc3oc4CCCc4c3cc12
Cc1coc2cc3oc(=O)c(NC(=O)CN)cc3cc12
COc1c(OCC(C)=O)ccc2cc(NC(C)=O)c(=O)oc12
NCCCOc1c2occc2cc2ccc(=O)oc12
COc1cc(OC2CCCCC2=O)c2c(C)cc(=O)oc2c1
Cc1cc(=O)oc2cc(OC3CCCC3=O)ccc12
COc1cc(OC2CCCCC2=O)cc2oc(=O)cc(C)c12
COc1c(O)ccc2cc(N)c(=O)oc12
COc1c(OC2CCCCC2=O)ccc2c(C)cc(=O)oc12
COc1c2occ(C)c2cc2cc(N)c(=O)oc12
CCN(CC)CCCOc1c2occc2cc2ccc(=O)oc12
Cc1cc(=O)oc2cc3oc4CCCCc4c3cc12
COc1c2c(cco2)cc3c1OC(=O)C=C3
O=C1CSc2cc(OCc3ccccc3)ccc2N1
Clc1ccc(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(c(C)s3)-c3ccccc3)ccc2c1
CN(CCCOc1cccc(NC(=O)CCCCCCC(=O)NO)c1Cl)CC#C
CN(CCCOc1ccc(NC(=O)CCCCCCC(=O)NO)cc1Cl)CC#C
CN(CCCOc1cc(NC(=O)CCCCCCCCC(=O)NO)ccc1Cl)CC#C
CN(CCCOc1cc(NC(=O)CCCCCCCC(=O)NO)ccc1Cl)CC#C
CN(CCCOc1cc(NCc2ccc(\C=C\C(=O)NO)cc2)ccc1Cl)CC#C
CN(CCCOc1cc(NCc2ccc(cc2)C(=O)NO)ccc1Cl)CC#C
CN(CCCOc1cc(NC(=O)CCCCCCC(=O)NO)ccc1Cl)CC#C
CN(CCCOc1cc(NC(=O)CCCCCCC(=O)NO)c(Cl)cc1Cl)CC#C
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,)|
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,)|
CCS(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
Clc1ccc(CNC(=O)[C@H](CCCCNC2CC2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)cc1 |r|
N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r|
FC1(F)CCN(CC1)c1nc2ccccc2c2n(Cc3cccc(Cl)c3)ccc12
FC(F)(F)c1c(Cl)ccc(c1Cl)-n1ccnn1
COc1ccc2C(=O)c3cc(nnc3-c2c1)-c1cccc(c1)C(F)(F)F
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
CC1CCCC(C)N1C(=S)SCCCCOc1ccc2c(C)c(Cl)c(=O)oc2c1
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
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
COc1ccc2oc(cc(=O)c2c1)-n1cncn1
COc1ccc2oc(\C=C\c3ccc(Cl)cc3)cc(=O)c2c1
COc1ccc2oc(cc(=O)c2c1)-n1ccc2ccccc12
Fc1ccc(Nc2cn(Cc3ccc4oc(cc(=O)c4c3)-c3ccc(Cl)cc3)nn2)cc1
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
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|
OCc1ccc(cc1)-c1ccc(o1)C1=NCCN1 |t:15|
Nc1cccc(c1)-c1ccc(o1)C1=NCCN1 |t:14|
C1CN=C(N1)c1ccc(nc1)-c1ccccc1 |c:2|
CC\C(C)=N\Oc1ccc(cc1)C(=O)\C=C\c1ccccc1
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
CC1CCCC(C)N1C(=S)SCCCOc1ccc2c(C)c(Cl)c(=O)oc2c1
COc1cc(OC)c(\C=C\C(=O)c2ccc(Br)cc2)c(OC)c1
COc1cc(OC)c(\C=C\C(=O)c2ccc(F)cc2)c(OC)c1
CCOc1ccc(c(N\N=C\c2ccc(cc2)C(F)(F)F)n1)[N+]([O-])=O
CCOc1ccc(c(N\N=C\c2ccccn2)n1)[N+]([O-])=O
CCOc1ccc(c(N\N=C\c2cccn2C)n1)[N+]([O-])=O
c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
COc1cc(cc(OC)c1O)-c1cc(=O)c2c(O)cc(O)cc2o1
Fc1cccc(\C=C\C(=O)c2ccc(cc2)N2CCOCC2)c1
CN(C)c1ccc(\C=C\C(=O)c2cc(Cl)sc2Cl)cc1
CCCCOc1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(N)=S |t:12|
O=C1Oc2ccccc2C(=O)\C1=C\NCc1ccccc1
CCOc1ccc(c(N\N=C\c2ccc(O)cc2)n1)[N+]([O-])=O
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)ccc1O
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
[H][C@@]12C[C@@H](\C(=C\C)C=O)C(=CN1CCc1c2[nH]c2ccccc12)C(=O)OC |r,c:9|
Cc1c2c(ccn1)c3ccccc3[nH]2
COc1ccc2c(c1)n(C)c1c(C)nccc21
Cc1nccc2c3ccc(CO)cc3[nH]c12
COCc1ccc2c(c1)[nH]c1c(C)nccc21
Cc1nccc2c3ccc(OCC=C)cc3[nH]c12
CC(C)COc1ccc2c(c1)[nH]c1c(C)nccc21
Cc1nccc2c3ccc(OCCCC(F)(F)F)cc3[nH]c12
Cc1nccc2c3ccc(OCC4CCCCC4)cc3[nH]c12
Cc1nccc2c3ccc(OCCc4ccccc4)cc3[nH]c12
CCCCn1c2cc(OCc3cn(Cc4ccccc4Cl)nn3)ccc2c2ccnc(C)c12
CCCn1c2cc(OCc3cn(Cc4ccccc4Cl)nn3)ccc2c2ccnc(C)c12
COc1ccc2c(c1)n(C)c1c(C)[n+](C)ccc21
COc1ccc2c3CC[N+](C)=C(C)c3n(C)c2c1 |t:10|
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
Cc1cc(on1)-c1ccc(cc1F)N1C[C@H](CNc2ccon2)OC1=O
Cc1cn(C[C@H]2CN(C(=O)O2)c2ccc(-c3cc(C)no3)c(F)c2)nn1
Cc1cc(on1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(-c2cc(C)no2)c(F)c1
c1ccc(cc1)CCCCN
CN(CC#C)Cc1cccc(c1)C(=O)NC1CC(C)(C)N(O)C(C)(C)C1
O=CN(C=O)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
CN1c2ccccc2S(=O)(=O)c2cc(NC(C)=O)ccc12
CC(=O)Nc1cccc2C(=O)c3ccccc3C(=O)c12
CC(=O)Nc1ccc2c(O)c3ccccc3nc2c1
CC(=O)Nc1cc2Cc3ccccc3S(=O)(=O)c2cc1NC(C)=O
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O
COC[C@H]1CN(C(=O)O1)n1cccc1
COc1cc(O)c2c(c1)oc1ccc(O)c(OC)c1c2=O
COc1cc(O)cc(O[C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c1C(=O)c1cc(O)cc(O)c1 |r|
OC[C@@H]1O[C@H](Oc2cc(O)cc(O)c2C(=O)c2cc(O)cc(O)c2)[C@H](O)[C@H]1O |r|
OC[C@@H]1O[C@H](Oc2cc(O)cc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2cc(O)cc(O)c2)[C@H](O)[C@H]1O |r|
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O
OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
CC(N)CSc1ccccc1
CC(N)CSc1ccc(Br)cc1
CC(N)CSc1ccccc1Br
CC(N)CSc1cccc(Br)c1
CC(N)C[Se]c1ccccc1
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
CC(N)C[Te]c1ccccc1
CC(N)C[Te]c1ccc(C)cc1
COc1ccc([Te]CC(C)N)cc1
c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
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|
CC(=O)Nc1c(O)ccc2c(C)cc(=O)oc12
Cc1cc(=O)oc2c(NC(=O)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
Cc1cc(=O)oc2c(NC(=O)c3cccnc3)c(O)ccc12
Cc1cc(=O)oc2c(NC(=O)\C=C\c3ccccc3)c(O)ccc12
CC(C)OC(=O)Nc1c(O)ccc2c(C)cc(=O)oc12
Cc1cc(=O)oc2c(NC(=O)OCCl)c(O)ccc12
Cc1cc(=O)oc2c(NC(=O)OCc3ccccc3)c(O)ccc12
COc1cc(cc(OC)c1OC)-c1cccc(c1)C(=O)Nc1ccc2[nH]ncc2c1
O=C(Nc1ccc2[nH]ncc2c1)c1cccc(c1)-c1ccc(cc1)C#N
COc1cc(cc(OC)c1OC)-c1cccc(NC(=O)c2ccc3[nH]ncc3c2)c1
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|
Fc1ccc(cc1F)[C@@H]1C[C@H]1NCc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(Cl)c(Cl)c1 |r|
Oc1cccc(\C=C\C(=O)c2ccccc2O)c1
COc1cccc(\C=C\C(=O)c2ccccc2O)c1
Oc1ccc(\C=C\C(=O)c2ccccc2O)cc1
COc1ccc(\C=C\C(=O)c2ccccc2O)cc1
Oc1ccccc1C(=O)\C=C\c1ccc(F)cc1
Oc1ccccc1C(=O)\C=C\c1ccc(Br)cc1OC(F)(F)F
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
COc1ccc2oc(cc(=O)c2c1)C(=O)Nc1ccc(C)cc1
Oc1ccc2oc(cc(=O)c2c1)C(=O)Nc1cccc(Cl)c1
Cc1ccc(NC(=O)c2cc(=O)c3cc(O)ccc3o2)cc1C
Oc1ccc2occ(C(=O)Nc3ccc(Cl)cc3)c(=O)c2c1
Oc1ccccc1-c1c(O)c2cc(Cl)ccc2oc1=O |(-4,-1.92,;-4,-.38,;-5.33,.38,;-5.33,1.93,;-4.01,2.69,;-2.67,1.93,;-2.67,.39,;-1.33,-.38,;-.01,.39,;-.01,1.94,;1.33,-.38,;2.66,.39,;4,-.38,;5.33,.39,;4,-1.91,;2.67,-2.69,;1.33,-1.92,;0,-2.69,;-1.33,-1.92,;-2.67,-2.69,)|
Cc1cc(=O)c(O)c(CO)n1CCCn1cc(COc2ccc3ccc(=O)oc3c2)nn1
CC1CCCCN1c1ccc(\C=N\Nc2ccccc2)cc1
CN1CCN(CC1)c1ccc(\C=N\Nc2ccccc2)cc1
Fc1ccc(\C=C\C(=O)c2ccc3OCCOc3c2)cc1
[O-][N+](=O)c1ccc(cc1)-c1csc(N\N=C(\CSc2nc3ccccc3s2)c2ccccc2)n1
Clc1ccc(-c2csc(N\N=C(\CSc3nc4ccccc4s3)c3ccccc3)n2)c(Cl)c1
Clc1ccc(\C=C\C(=O)c2ccc3OCOc3c2)cc1
CCOC(=O)C(C(=O)NN=Cc1ccc(cc1)[N+]([O-])=O)[n+]1ccc2ccccc2c1
Cc1ccc(\C=N\NC(=O)c2cc(on2)-c2ccccc2)cc1
O=C(\C=C\C=C\c1ccccc1)c1ccco1
[O-][N+](=O)c1cccc(CN(C(=O)CSc2nc3cc(Cl)ccc3s2)c2ccc(F)cc2)c1
CCc1ccc(\C=C\C(=O)c2ccc3OCOc3c2)cc1
COCCNc1nnc(SCC(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)s1
CCCCNc1nnc(SCC(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)s1
C[C@H]1OC(=O)N(C1=O)c1ccccc1 |r|
Oc1ccc(Cl)cc1C1CC(=NN1C(=O)CN1CCNCC1)c1ccc(F)cc1 |c:11|
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
[O-][N+](=O)c1cccc2cc(oc12)-c1ccccc1
CC(C)c1cc(C(=O)Nc2cccc(OCCCN(C)CC#C)c2Cl)c(O)cc1O
CC(C)c1cc(C(=O)N(C)c2cccc(OCCCN(C)CC#C)c2Cl)c(O)cc1O
CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1cccc(OCCCN(C)CC#C)c1Cl
CCCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1cccc(OCCCN(C)CC#C)c1Cl
CC(C)c1cc(C(=O)Nc2ccc(OCCCN(C)CC#C)c(Cl)c2)c(O)cc1O
CC(C)c1cc(C(=O)N(C)c2ccc(OCCCN(C)CC#C)c(Cl)c2)c(O)cc1O
CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc(OCCCN(C)CC#C)c(Cl)c1
CCCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc(OCCCN(C)CC#C)c(Cl)c1
CC(C)c1cc(C(=O)Nc2ccc(Cl)c(OCCCN(C)CC#C)c2)c(O)cc1O
CC(C)c1cc(C(=O)N(C)c2ccc(Cl)c(OCCCN(C)CC#C)c2)c(O)cc1O
CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc(Cl)c(OCCCN(C)CC#C)c1
CCCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc(Cl)c(OCCCN(C)CC#C)c1
CC(C)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccc4c(c3)ccn4C
CCSc1ccc(C[C@H](C)N)cc1
CCCSc1ccc(C[C@H](C)N)cc1
CCCCSc1ccc(C[C@H](C)N)cc1
CSc1ccc(C[C@H](C)N)cc1
CN(C)CCc1c[nH]c2c1cccc2
COC1=CC(=O)OC(/C=C/c2ccccc2)C1
Fc1cc(ccc1-c1ccc(nc1)C(=O)CC1CCNCC1)N1C[C@H](Cn2ccnn2)OC1=O
OC(CN1CCOCC1)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O |w:1.0|
CCc1nccn1CC(=O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O
CC(=O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O
OC(C1CCNCC1)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O |w:1.0|
CC(C)(O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O
CC(C)C(O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O |w:3.3|
Fc1cc(ccc1-c1ccc(nc1)C(=O)C1CCNCC1)N1C[C@H](Cn2ccnn2)OC1=O
CN(C)CC(O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O |w:4.4|
CO[C@@H](C)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O
Cc1cn(CC(=O)c2ccc(cn2)-c2ccc(cc2F)N2C[C@H](Cn3ccnn3)OC2=O)c(C)n1
C[C@@H](O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O
CC(C)NCC(O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O |w:5.5|
OCC(O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O |w:2.2|
C[C@H](O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O
CO[C@H](C)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O
Cc1cnc(C)n1CC(=O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O
CN1CCN(CCCC(=O)c2ccc(cn2)-c2ccc(cc2F)N2C[C@H](Cn3ccnn3)OC2=O)CC1
COCc1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O
Fc1cc(ccc1-c1ccc(nc1)C(=O)Cn1ccnc1)N1C[C@H](Cn2ccnn2)OC1=O
Cc1nccn1CC(=O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O
Fc1cc(ccc1-c1ccc(nc1)C(=O)C1CNC1)N1C[C@H](Cn2ccnn2)OC1=O
OC(C1CNC1)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O |w:1.0|
Fc1cc(ccc1-c1ccc(nc1)C(=O)CCCN1CCOCC1)N1C[C@H](Cn2ccnn2)OC1=O
CN1CCN(CCCC(O)c2ccc(cn2)-c2ccc(cc2F)N2C[C@H](Cn3ccnn3)OC2=O)CC1 |w:8.8|
Cc1cn(CC(=O)c2ccc(cn2)-c2ccc(cc2F)N2C[C@H](Cn3ccnn3)OC2=O)cn1
OCc1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O
NC(=O)CNCc1ccc(OCc2cccc(Cl)c2)cc1
C[C@@H](NCc1ccc(OCc2cccc(Cl)c2)cc1)C(N)=O
NC(=O)[C@H](CO)NCc1ccc(OCc2cccc(Cl)c2)cc1
NC(=O)[C@@H](NCc1ccc(OCc2cccc(F)c2)cc1)c1ccccc1
NC(=O)[C@@H](CO)NCc1ccc(OCc2cccc(Cl)c2)cc1
C[C@H](N1CCc2cc(OCc3cccc(F)c3)ccc2C1)C(N)=O
NC(=O)CNCc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1
C[C@H](NCc1ccc(OCc2cccc(Cl)c2)cc1)C(N)=O
NC(=O)CNCc1ccc(OCc2ccc(Cl)cc2)cc1
NC(=O)CNCc1ccc(OCc2ccccc2)cc1
C[C@H](NCc1ccc(OCc2ccccc2)cc1)C(N)=O
C[C@@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
C[C@@H](N1CCc2cc(OCc3cccc(F)c3)ccc2C1)C(N)=O
NC(=O)[C@H](CO)NCc1ccc(OCc2ccccc2)cc1
NC(=O)[C@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1
NC(=O)CNCc1ccc(OCc2cccc(F)c2)cc1
COc1ccc2nc(C(=O)NC3CCCCC3)sc2c1
O=C(Nc1nc2ccc(O)cc2s1)C1CCCCC1
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[N@](CCCOc1ccc(cc1Cl)Cl)CC#C
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
N#Cc1cc2ccc(OCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O
CN(C)c1cc(=O)oc2cc(OCc3ccc(S(N)(=O)=O)cc3)ccc12
Cc1cc(=O)oc2cc(OCc3ccc(S(N)(=O)=O)cc3)ccc12
NS(=O)(=O)c1ccc(COc2ccc3c(c2)oc(=O)c2ccccc23)cc1
NS(=O)(=O)c1ccc(COc2ccc3c(=O)ccoc3c2)cc1
CCCNC(C)C(=O)Nc1c(C)csc1-c1nc(C)no1
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
Cc1cc(NS(=O)(=O)c2ccc(-n3cc(COc4ccccc4-c4nc(Cc5ccccc5)no4)nn3)cc2)no1
Cc1cc(NS(=O)(=O)c2ccc(-n3cc(COc4ccccc4-c4nc(-c5ccc(C(F)(F)F)cc5)no4)nn3)cc2)no1
CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)=NNC(=O)COc1ccccc1-c1nc(Cc2ccccc2)no1
O=c1c(-c2cc(-c3ccccc3C(F)(F)F)no2)csc2ccccc12
O=c1c(-c2cc(-c3cccc(C(F)(F)F)c3)no2)csc2ccccc12
O=c1c(-c2cc(-c3ccc(C(F)(F)F)cc3)no2)csc2ccccc12
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,)|
NC(=O)[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1
NC(=O)[C@H]1CN(C(=O)O1)c1cc(F)c(C2CCS(=O)(=O)CC2)c(F)c1
NC(=O)[C@H]1CN(C(=O)O1)c1ccc(C2CCS(=O)(=O)CC2)c(F)c1
NC(=O)[C@H]1CN(C(=O)O1)c1cc(F)c(C2CCS(=O)CC2)c(F)c1
NC(=O)[C@H]1CN(C(=O)O1)c1cc(F)c(N2CCOCC2)c(F)c1
NC(=O)[C@H]1CN(C(=O)O1)c1ccc(C2CCOCC2)c(F)c1
O=C(Nc1ccccc1)c1ccc2OCCOc2c1
O=C(NCc1ccccc1)c1ccc2c(c1)OCCO2
O=C(Nc1ccccc1)c1ccc2c(c1)OCO2
O=C(Nc1ccccc1F)c1ccc2c(c1)OCCO2
O=C(Nc1ccccc1Cl)c1ccc2c(c1)OCCO2
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
O=C(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)OCCO2
COc1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1
COc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1
COc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1OC
COc1cc(NC(=O)c2ccc3c(c2)OCCO3)ccc1Cl
COc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1Cl
O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2
O=C(Nc1ccccc1)c1ccccc1
Clc1cccc(NC(=O)c2ccccc2)c1
Clc1ccc(NC(=O)c2ccccc2)cc1Cl
O=C(Nc1ccc2[nH]ncc2c1)c1ccc2c(c1)OCCO2
O=C(Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2
O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(Cl)c1
CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccco1
CN(Cc1ccncc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
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(OCc3ccc(Cl)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
CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NCC3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
N[C@H]1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
CCN(c1cc(-c2ccc([C@@H]3C[C@H]3N(CC3CCOCC3)C(=O)OC(C)(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
COc1ccc2nc(NC(=O)Nc3ccc(O)c(C(F)(F)F)c3)sc2c1
CC(=O)Nc1ccc2nc(NC(=O)Nc3ccc(O)c(Cl)c3)sc2c1
OC(=O)c1ccc2nc(NC(=O)Nc3ccc(O)c(Cl)c3)sc2c1
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
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
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(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|
COc1ccc(cc1OC)C(\CN)=C/F
NC[C@]1(C[C@@H]1F)c1ccccc1 |r|
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|
CC1CCCCC1=NNc1nc(cs1)-c1ccccc1 |w:7.8|
CC1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)C#N |w:7.8|
COc1ccc(cc1)-c1csc(NN=C2CCCCC2C)n1 |w:13.13|
COc1c(O)ccc2c(C)cc(=O)oc12
Cc1cc(=O)oc2c(C)c3oc4CCCc4c3cc12
O=c1ccc2cc3c4CCc4oc3cc2o1
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
O=C1CCCCC1Oc1ccc2ccc(=O)oc2c1
COc1cc(OC2CCCCC2=O)cc2oc(=O)ccc12
Cc1cc(=O)oc2c(C)c(OC3CCCCC3=O)ccc12
Cc1cc(=O)oc2c(C)c(OC3CCCC3=O)ccc12
COc1c(OC2CCCC2=O)ccc2ccc(=O)oc12
Oc1ccc2c3CCCc3c(=O)oc2c1
COc1c(O)ccc2c3CCCc3c(=O)oc12
Cc1c(O)ccc2c3CCCCc3c(=O)oc12
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|
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
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
O=C(Nc1ccccc1)c1cc2ccccc2[nH]1
CN(C(=O)c1cc2ccccc2[nH]1)c1ccccc1
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
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|
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|
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|
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
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|
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
CN=C1CCc2c1n(C)c1ccccc21 |w:1.0|
CN=C1CCc2c1n(C)c1ccc(OC(=O)N(C)C)c(Br)c21 |w:1.0|
CCCCNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Br)=NC |w:22.25|
CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)c(Cl)c21 |w:2.1|
CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Br)=NC |w:19.22|
CCCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)cc21 |w:3.2|
Cn1c2C(CCc2c2ccccc12)=NCc1ccncc1 |w:13.16|
CCCN=C1CCc2c1n(C)c1ccccc21 |w:3.2|
CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Cl)=NC |w:19.22|
CNC(=O)Oc1cc2c3CCC(=NC)c3n(C)c2cc1Cl |w:12.12|
CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)c(Br)c21 |w:2.1|
CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)cc21 |w:2.1|
CCN=C1CCc2c1n(C)c1ccccc21 |w:2.1|
CCCn1c2C(CCc2c2c(Br)c(OC(=O)NC)ccc12)=NCC |w:21.24|
CC(C)N=C1CCc2c1n(C)c1ccccc21 |w:3.2|
CN=C1CCc2c1n(C)c1ccc(OC(=O)NCc3ccccc3)c(Br)c21 |w:1.0|
CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1)=NCCc1ccccc1 |w:18.21|
COc1cc(Br)c2oc(cc2c1)C1CCNCC1
CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1)=NC |w:18.21|
NC(=O)[C@H](CO)Nc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 |r|
NC(=O)[C@@H]1CCCN1Cc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12 |r|
NCCNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CCCCNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Clc1cccc(COc2ccc3c(CC(=O)NCc4ccccc4)cc(=O)oc3c2)c1
CN(C)C(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CCCCN(C)C(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Clc1cccc(COc2ccc3c(CNCc4ccccc4)cc(=O)oc3c2)c1
CN(C)Cc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
CN(Cc1ccccc1)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
NNC(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
CC(C(N)=O)c1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
NNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CNC(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
NC(=O)Cc1cc(=O)oc2cc(OCc3cccc(O)c3)ccc12
NCc1cc(=O)oc2cc(OCc3ccccc3)ccc12
CNCc1cc(=O)oc2cc(OCc3ccc4OCOc4c3)ccc12
CC(C(N)=O)c1cc(=O)oc2cc(OCc3ccccc3)ccc12
NC(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
CNCc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
CNCc1cc(=O)oc2cc(OCc3ccccc3)ccc12
NC(=O)Cc1cc(=O)oc2cc(OCc3cccnc3)ccc12
CCNCc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
C[C@H](NCc1cc(=O)oc2cc(OCc3ccccc3)ccc12)C(N)=O |r|
CN(C)C(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
CN(C)CCc1cc(=O)oc2cc(OCc3ccccc3)ccc12
NC(=O)Cc1cc(=O)oc2cc(OCc3ccncc3)ccc12
NCCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
NC(=O)[C@@H]1CCCN1Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12 |r|
CN(C)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
NC(=O)Cc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
CNCCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CC(C)NCc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
NC(=O)[C@@H]1CCCN1c1cc(=O)oc2cc(OCc3ccccc3)ccc12 |r|
C[C@H](Nc1cc(=O)oc2cc(OCc3ccccc3)ccc12)C(N)=O |r|
CN(C)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
O=c1cc(CC#N)c2ccc(OCc3ccccc3)cc2o1
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|
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|
ONC(=N)N1N=C(CC1c1ccc(O)cc1)c1ccccc1O |c:5|
c1cc2c(cc1/C=C/C=C/C(=O)N3CCCCC3)OCO2
COC(=O)\C=C\C=C\c1ccc2OCOc2c1
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
O=C(NCCN1CCOCC1)c1cccnc1
Clc1ncccc1C(=O)NCCN1CCOCC1
Brc1ncccc1C(=O)NCCN1CCOCC1
O=C(NCCN1CCOCC1)c1ccc[nH]c1=O
Clc1ccncc1C(=O)NCCN1CCOCC1
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
Oc1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(=S)Nc1ccccc1 |t:8|
NC(=S)N1N=C(CC1c1ccco1)c1ccccc1 |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(=O)c1cnc(-c2cnc3c(Nc4ccc(cn4)C(F)(F)F)ccnc3n2)c(c1)C(F)(F)F
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|
CCCCCCC(C)N=Nc1nc(cs1)-c1cccc(OC)c1 |w:8.7|
[#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=NCc2cccc3ccccc23)n1 |w:13.14|
COc1cccc(c1)-c1csc(N=NCc2cccc3OCOc23)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
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|
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)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|
C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Cc1cc2cc(NC(=O)c3ccccc3)ccc2[nH]1
Cc1cc2cc(NC(=O)c3cccc(Cl)c3)ccc2[nH]1
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(Cl)c(Cl)c3)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
NCc1cn(nn1)-c1ccccc1
NCc1cn(nn1)-c1ccc(cc1)C(O)=O
NCc1cn(nn1)-c1cccc(c1)C(O)=O
NCc1cn(nn1)-c1ccncc1
COCCOc1ccc2c(c1)[nH]c1c(C)nccc21
Cc1nccc2c3ccc(OCCO)cc3[nH]c12
Cc1nccc2c3ccc(OCc4ccccc4)cc3[nH]c12
Cc1nccc2c3ccc(OCc4ccccn4)cc3[nH]c12
Cc1nccc2c3ccc(OCc4cccnc4)cc3[nH]c12
Cc1nccc2c3ccc(OCc4ccncc4)cc3[nH]c12
Cc1nccc2c3ccc(OCc4ccc5ccccc5c4)cc3[nH]c12
Cc1c2c(ccn1)c3ccc(cc3[nH]2)OCCN(C)C
CN(C)CCCOc1ccc2c(c1)[nH]c1c(C)nccc21
Cc1nccc2c3ccc(OCCN4CCOCC4)cc3[nH]c12
Nc1ccc(OCc2ccccc2)cc1
c1ccc(cc1)COc2cccc(c2)N
Nc1ccc(CCc2ccccc2)cc1
Nc1cccc(CCc2ccccc2)c1
Nc1ccc(Oc2ccccc2)cc1
Nc1cccc(c1)-c1ccccc1
Nc1ccc(Oc2ccc(Cl)cc2)cc1
Nc1ccc(\C=C\c2ccccc2)cc1
Nc1cccc(\C=C\c2ccccc2)c1
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
COc1ccc2cc(-c3ccsc3)c(=O)oc2c1
COc1ccc2cc(-c3c[nH]c4ccccc34)c(=O)oc2c1
[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|
Nc1cc(\C=C2/COc3ccccc3C2=O)ccc1O
Oc1ccc(\C=C2/COc3ccccc3C2=O)cc1O
CC(=O)Nc1ccc(\C=C2/COc3ccccc3C2=O)cc1
Oc1ccc(\C=C2/COc3cc(O)cc(O)c3C2=O)cc1
COc1ccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2)cc1 |c:10|
Cc1ccc(NC(=S)N2N=C(CC2c2ccccc2O)c2ccccc2)cc1 |c:9|
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|
COc1cccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2)c1 |c:11|
Cc1cccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2)c1 |c:10|
COc1ccccc1NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccccc1 |c:13|
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|
Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccccc1 |c:10|
NC(=S)N1N=C(CC1c1ccncc1)c1ccccc1 |c:4|
NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:4|
Cc1ccc(cc1)C1CC(=NN1C(N)=N)c1ccccc1 |c:10|
NC(=N)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:4|
NC(=N)N1N=C(CC1c1ccncc1)c1ccccc1 |c:4|
Cc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccccc2)cc1 |c:9|
Oc1ccc(cc1)C(=O)c1cc2cc(Br)cc(O)c2oc1=O
Oc1ccc(cc1)-c1cc2cc(Br)cc(O)c2oc1=O
Oc1cc(Br)cc2cc(C(=O)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(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(OCCOc2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Oc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O
Oc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O
[O-][N+](=O)c1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
Oc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1
O=C1NC(=O)c2cc(OCCc3ccccc3)ccc12
O=C1NC(=O)c2cc(Oc3ccccc3)ccc12
O=C1NC(=O)c2cc(OCc3ccccc3)ccc12
Brc1ccc(Oc2ccc3C(=O)NC(=O)c3c2)cc1
Brc1ccc(CCOc2ccc3C(=O)NC(=O)c3c2)cc1
O=C1NC(=O)c2cc(OC\C=C\c3ccccc3)ccc12
O=C1NC(=O)c2cc(OCCCc3ccccc3)ccc12
Brc1ccc(COc2ccc3C(=O)NC(=O)c3c2)cc1
O=C1NC(=O)c2cc(Oc3ccc4ccccc4c3)ccc12
O=C1NC(=O)c2ccccc12
Oc1ccc2oc(=O)c(cc2c1)C(=O)c1ccccc1
CC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O
Cc1ccc(NNC(=O)c2cc3ccccc3oc2=O)cc1
[O-][N+](=O)c1ccc(NNC(=O)c2cc3ccccc3oc2=O)c(c1)[N+]([O-])=O
[O-][N+](=O)c1ccccc1NNC(=O)c1cc2ccccc2oc1=O
Oc1cccc2cc(C(=O)c3ccccc3)c(=O)oc12
OC(=O)c1cc2cc(O)ccc2oc1=O
CCOC(=O)c1cc2ccc(OC3CCCCCC3)cc2oc1=O
CC(=O)c1cc2cccc(O)c2oc1=O
CCOC(=O)c1cc2cccc(O)c2oc1=O
OC(=O)c1cc2cccc(O)c2oc1=O
CCOC(=O)c1cc2cc(O)ccc2oc1=O
CC(=O)c1cc2cc(Br)ccc2oc1=O
O=C(NNc1ccccc1)c1cc2ccccc2oc1=O
Clc1ccc(NNC(=O)c2cc3ccccc3oc2=O)cc1
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
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
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
Cc1cccc(NC(=O)\C=C\C=C\c2ccccc2)c1
Cc1ccc(cc1)-c1cc2cc(O)ccc2oc1=O
Cc1ccc2oc(=O)c(cc2c1)-c1ccccc1O
Cc1ccc2oc(=O)c(cc2c1)-c1cccc(O)c1
COc1ccc(cc1OC)-c1cc2cc(C)ccc2oc1=O
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
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(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
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|
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
CC1=CCN(CCc2ccccc2)CC1 |t:1|
C(Cc1ccccc1)N1CCCCC1
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|
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
Clc1ccc(\C=C2/Oc3ccccc3C2=O)cc1
CN(C)c1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1
Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccccc1O
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
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
Cc1c(C)c(=O)oc2cc(OCc3ccc(F)cc3)ccc12
COc1ccc2c(C)c(C)c(=O)oc2c1
Cc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1
Cc1c(C)c(=O)oc2cc(OCc3cc(on3)C3CC3)ccc12
CCS(=O)(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1
Cc1c(C)c(=O)oc2cc(OS(=O)(=O)c3ccc(cc3)C#N)ccc12
CC(C)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2C)cc1
Cc1c(C)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12
Cc1c(C)c(=O)oc2cc(OCc3ccccn3)ccc12
CC(C)c1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)s1
CC(C)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
CC(C)c1ccc(cc1)C(C)Oc1ccc2c(C)c(C)c(=O)oc2c1
Cc1c(C)c(=O)oc2cc(OS(=O)(=O)c3ccccc3)ccc12
CCCCCCCCS(=O)(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1
CC(C)c1noc(COc2ccc3c(C)c(C)c(=O)oc3c2)n1
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(Br)cc3)ccc12
Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
Cc1c(C)c(=O)oc2cc(OS(C)(=O)=O)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(OCc3ccc(cc3)C(F)(F)F)ccc12
CN1C(Cc2ccccc2N=C1C)c1ccccc1 |c:11|
COc1cc2CCN[C@H](C)c2cc1OC
COc1cc2c(C)nccc2cc1O
C[C@H]1NCCc2cc(O)c(O)cc12
COc1cc2CCN(C)[C@@H](C)c2cc1OC |r|
COc1cc2CCN(C)[C@@H](C)c2cc1OC
COc1cc2[C@H](C)N(C)CCc2cc1O
c1ccc2c(c1)CCNC2
COc1c(OC)c(OC)c2c(C)nccc2c1OC
COc1cc2CCN=C(C)c2cc1O |t:7|
COc1ccc2C=[N+](C)CCc2c1 |t:6|
COc1cc2[C@@H](C)NCCc2cc1O
COc1cc2CCNC(C)c2c(OC)c1OC
COc1cc2CCN(C)C(C)c2c(OC)c1OC
Cc1nccc2cc(O)c(O)cc12
CN1CCc2cc(O)c(O)cc2C1
COc1cc2CC[N+](C)=Cc2cc1OC |c:8|
COc1cc2CCN(C)Cc2cc1OC
COc1c2CCN(C)Cc2c(OC)c(OC)c1OC
CN1CCc2ccccc2C1
COc1cc2[C@H](C)NCCc2cc1O |r|
COc1cc2ccncc2c(OC)c1OC
COc1c2CCNC(C)c2c(OC)c(OC)c1OC
COc1c2CCNCc2c(OC)c(OC)c1OC
COc1cc2CCN=C(C)c2cc1OC |t:7|
COc1cc2CCNC(C)c2cc1O
C[N+]1=Cc2ccccc2CC1 |t:1|
CC1N(C)CCc2cc(O)c(O)cc12
COc1cc2C(C)=NCCc2cc1O |c:6|
COc1cc2CCN=C(C)c2c(OC)c1OC |t:7|
COc1c2CCN=C(C)c2c(OC)c(OC)c1OC |t:6|
CCC(C)N(C)CC#C
CCCCCCCCC(C)N(C)CC#C
CCCCCN(C)CC#C
CCCCC(C)N(C)CC#C
CCCCCCCN(C)CC#C
CCCC(C)N(C)CC#C
CCC(CC)N(C)CC#C
CCCCCCCCCCC(C)N(C)CC#C
CCCCCC(C)N(C)CC#C
CCCCN(C)CC#C
OCCn1nc(oc1=O)-c1ccc(OCc2ccccc2)cc1
S=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
[O-][N+](=O)c1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)cc1
Clc1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)cc1
Clc1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=O)o2)cc1
O=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
COc1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)cc1
COc1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=O)o2)cc1
Cc1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)cc1
Clc1cccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)c1 |t:15|
S=c1sc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
[O-][N+](=O)c1ccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)cc1 |t:16|
Cc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)c1
O=c1sc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1
Clc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=O)o2)c1
COc1ccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)cc1 |t:15|
COc1cccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)c1 |t:16|
Cc1cccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)c1 |t:15|
COc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=O)o2)c1
Cc1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=O)o2)cc1
[O-][N+](=O)c1ccc(COc2ccc(cc2)-c2nn(CCC#N)c(=O)o2)cc1
Clc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)c1
Cc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=O)o2)c1
S=C1COC(=NN1CCC#N)c1ccc(OCc2ccccc2)cc1 |c:4|
Cc1ccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)cc1 |t:14|
O=C1COC(=NN1CCC#N)c1ccc(OCc2ccccc2)cc1 |c:4|
Clc1ccc(COc2ccc(cc2)C2=NN(CCC#N)C(=O)CO2)cc1 |t:14|
COc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)c1
O=S1(=O)c2ccccc2Oc2cccnc12
CC(=O)c1ccc2c(Oc3ccc(cc3S2(=O)=O)C(C)=O)c1
CNC(=O)c1ccc2C(=O)c3cc(ccc3S(=O)(=O)c2c1)N(C)C
CCCOc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C(N)=O
O=C1c2ccccc2S(=O)(=O)c2ccccc12
O=c1c2ccccc2sc2ccccc12
O=S1(=O)c2ccccc2Oc2ccc(cc12)C#N
CNC(=O)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
CNC(=O)c1ccc2C(=O)c3cc(ccc3S(=O)(=O)c2c1)C(C)O
NC(=N)c1ccc-2c(Cc3ccccc-23)c1
O=S1(=O)c2ccccc2Oc2ccccc12
CNC(=O)c1ccc2Oc3ccccc3Sc2c1
O1c2ccccc2Sc2ncccc12
COCCOC(=O)COc1ccc2c(c1)C(=O)c1ccccc1S2(=O)=O
CNC(=O)c1ccc2c(Oc3ccccc3S2(=O)=O)c1
CNC(=O)c1ccc2C(=O)c3cc(C)ccc3S(=O)(=O)c2c1
CNC(=O)c1ccc2C(=O)c3cc(OC(C)=O)ccc3S(=O)(=O)c2c1
CNC(=O)c1ccc2C(=O)c3cc(C)cc(C)c3S(=O)(=O)c2c1
N#Cc1ccc2Oc3ccccc3Sc2c1
CC(=O)NCCNC(=O)c1ccc2c(Oc3ccccc3S2(=O)=O)c1
CNC(=O)c1ccc2Nc3ccccc3Sc2c1
O=S1(=O)c2ccccc2Oc2cc(ccc12)C#N
CNC(=O)c1ccc2C(O)c3ccccc3S(=O)(=O)c2c1
COc1cc(CNC(=O)c2ccc3C(=O)c4ccccc4S(=O)(=O)c3c2)cc(OC)c1OC
O1c2ccccc2Sc2ccccc12
CC(C)c1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C(N)=O
CNC(=N)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
Clc1ccc2c(Cc3ccccc3S2(=O)=O)c1
CNC(=O)c1ccc2Oc3ccccc3S(=O)(=O)c2c1
CCNC(=O)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
CNC(=O)c1ccc2C(Cl)c3ccccc3C(Cl)c2c1
CNC(=O)c1ccc2C(=O)c3cc(OCC(=O)OC)ccc3S(=O)(=O)c2c1
CNC(=O)c1ccc2C(=O)c3cc(ccc3S(=O)(=O)c2c1)C(C)C
CNC(=O)c1ccc2C(=O)c3cccc(C)c3S(=O)(=O)c2c1
CNC(=O)Oc1ccc2Oc3ccccc3S(=O)(=O)c2c1
CCCOc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C(=O)NC
CNC(=O)c1ccc2c(c1)sc1ccccc1c2=O
CNC(=O)c1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C(=O)NC
CNC(=O)c1ccc2N(C)c3ccccc3S(=O)(=O)c2c1
OC[C@@H]1CN(C(=O)O1)n1cccc1
CN(C)C[C@H]1CN(C(=O)O1)n1cccc1
[N-]=[N+]=NC[C@H]1CN(C(=O)O1)n1cccc1
COC[C@@H]1CN(C(=O)O1)c1ccc(OCC[C@H](O)C(F)(F)F)cc1
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
COC[C@@H]1CN(C(=O)O1)n1cccc1
[N-]=[N+]=NC[C@@H]1CN(C(=O)O1)n1cccc1
COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1O |c:11|
CC(=O)N1N=C(CC1c1ccccc1Cl)c1ccc(O)cc1 |c:4|
CC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(O)cc1 |c:4|
COc1ccccc1C1CC(=NN1C(C)=O)c1ccc(O)cc1 |c:11|
CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccc(O)cc1 |c:4|
CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(O)cc1 |c:4|
CC(=O)N1N=C(CC1c1cccc(Cl)c1)c1ccc(O)cc1 |c:4|
COc1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(O)cc1O |c:11|
CC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(O)cc1O |c:4|
COc1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(O)cc1 |c:11|
COc1ccc(C2CC(=NN2C(C)=O)c2ccc(O)cc2)c(OC)c1 |c:8|
CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(O)cc1O |c:4|
NNC(N)=O
NCc1ccncc1NC1CCCCCC1
NCc1ccncc1NC1CCCC1
CNc1cnccc1CN
CCNc1cnccc1CN
NCc1c(OCCO)cncc1OCCO
CCOc1cncc(OCc2ccccc2)c1CN
NCc1ccncc1N
CC(C)Nc1cnccc1CN
NCc1ccncc1N(C1CCCC1)C1CCCC1
CNc1cncc(N(C)C)c1CN
NCc1ccncc1NC1CCCCC1
NCc1ccncc1NCC1CCCCC1
CCNc1cncc(N(C)CC)c1CN
CCCNc1cncc(N(C)CCC)c1CN
CCOc1cncc(OCC)c1CN
CNc1cncc(NC)c1CN
NCc1ccncc1NC1CC1
NNC\C(=C\F)c1ccccc1
NNCC(=C)c1ccccc1
NNCC(=C)c1ccc(Cl)cc1
NNCC(=C)c1ccc(F)cc1
Cc1ccccc1C(=C)CNN
COc1ccc(cc1)C1=NN(C(C1)c1ccc[nH]1)C(=S)Nc1ccccc1 |t:9|
CCCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(OC)cc1 |c:7|
Cc1ccc(cc1)C1=NN(C(C1)c1ccc[nH]1)C(=S)Nc1ccccc1 |t:8|
CCCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(Cl)cc1 |c:7|
CCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(OC)cc1 |c:6|
CNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(Cl)cc1 |c:5|
CCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(Cl)cc1 |c:6|
CCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(C)cc1 |c:6|
CCCNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(C)cc1 |c:7|
CNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(OC)cc1 |c:5|
CNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(C)cc1 |c:5|
[#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c(oc3cc(-[#8])c(-[#8])cc3c2=O)c1-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])c(-[#8])cc2oc3c(c(-[#8])cc(-[#8])c3c(=O)c12)C([#6])([#6])[#6]=[#6]
CC(C)(O)CCc1c(O)c(O)cc2oc3c(c(O)cc(O)c3c(=O)c12)C(C)(C)C=C
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1cc2-[#6]=[#6]C([#6])([#6])[#8]-c2cc1-[#8] |c:23|
CC(C)(C=C)c1c(O)cc(O)c2c1oc1cc(O)c(O)cc1c2=O
[#6]-[#8]-c1c(-[#8])cc2oc3c(c(-[#8])cc(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[#6]=[#6]
[#6]-[#6]1-[#8]-c2cc(-[#8])c3c(oc4cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c4c3=O)c2C1([#6])[#6]
CC(C)(C=C)c1c(O)cc2oc3c4C=CC(C)(C)Oc4c(O)cc3c(=O)c2c1O |c:13|
[#6]\[#6](-[#6])=[#6]\[#6]-1-[#8]-c2cc(-[#8])ccc2-c2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8])c3c(=O)c12 |c:23|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#8])cc2c1oc1cc(-[#8])c(c(-[#8])c1c2=O)C([#6])([#6])[#6]=[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2cc3-[#8]C([#6])([#6])[#6]=[#6]-c3c(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |c:15|
CN(CC#C)Cc1ccnc2c(O)cccc12
Cc1c(C)c(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
CCCN(C)C(=O)Oc1cc2[C@@H](CCc2cc1Cl)NCC#C
Oc1cccc2c(CN3CCN(CC#C)CC3)ccnc12
Oc1cccc2c(CNCC#C)ccnc12
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
CCCCOc1ccc2cc(CC(C)N)ccc2c1
CC(N)Cc1ccc2cc(OCc3ccccc3)ccc2c1
CSc1ccc2cc(CC(C)N)ccc2c1
COc1ccc2cc(CC(C)NCc3ccccc3)ccc2c1
CCCCOc1ccc2cc(CC(C)NCc3ccccc3)ccc2c1
C[C@@H](Cc1ccccc1)N
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
COc1ccc(CNC(C)Cc2ccc(SC)cc2)cc1
CCCCOc1ccc(CNC(C)Cc2ccc(SC)cc2)cc1
CSc1ccc(CC(C)NCc2ccc(OCc3ccccc3)cc2)cc1
CCOc1ccc(cc1)C1CNCCS1
COc1ccc(cc1)C1CNCCS1
CCCCOc1ccc(cc1)C1CNCCS1
CCCOc1ccc(cc1)C1CNCCS1
CCCCOc1ccc(cc1)C1CNC(=O)CS1
C(Oc1ccc(cc1)C1CNCCS1)c1ccccc1
C1CSC(CN1)c1ccccc1
CCCOc1ccc(cc1)C1CNC(=O)CS1
CCOc1ccc(cc1)C1CNC(=O)CS1
O=C1CSC(CN1)c1ccccc1
COc1ccc(cc1)C1CNC(=O)CS1
O=C1CSC(CN1)c1ccc(OCc2ccccc2)cc1
O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
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
Fc1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
Clc1ccc(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
[#8-]-[#7+](=O)-c1ccc(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
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|
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
Cc1cc(Cc2sc(=O)[nH]c2O)cc(C)c1O
Oc1[nH]c(=O)sc1Cc1ccc(O)cc1
Cc1cc(C)cc(Cc2sc(=O)[nH]c2O)c1
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|
OC1=NC(=O)C(S1)=Cc1cccc(Br)c1 |w:7.8,t:1|
OC1=NC(=O)C(S1)=Cc1ccncc1 |w:7.8,t:1|
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
O=C1S\C(=C/c2ccccc2)C(=O)N1CCC#N
CCOc1ccc(\C=C2/SC(=O)N(CCN)C2=O)cc1
c1cc2c(cc1C=C3C(=O)NC(=O)S3)nccn2
CN(C)c1ccc(\C=C2/SC(=O)N(CCN)C2=O)cc1
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
CN1C(=S)S\C(=C\c2ccc(Cl)cc2)C1=O
COc1ccccc1\C=C1/SC(=O)N(CCN)C1=O
CCCN1C(=S)S\C(=C\c2ccncc2)C1=O
SC1=NC(=O)C(S1)=Cc1ccncc1 |w:7.8,t:1|
Oc1ccc(\C=C\C=C\C(=O)N2CCCCC2)cc1O
OC(=O)\C=C\C=C\c1ccc2OCOc2c1
CCCNC(=O)\C=C\C=C\c1ccc2OCOc2c1
CCCCNC(=O)\C=C\C=C\c1ccc2OCOc2c1
CCN(CC)C(=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)CCc2nc2ccccc12
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
CN(C)c1nc2nc3CCN(CC#C)Cc3c(N)c2cc1C#N
Nc1c2CN(CC#C)CCc2nc2nc(N3CCCC3)c(cc12)C#N
Nc1c2CN(CC#C)CCc2nc2nc(N3CCCCC3)c(cc12)C#N
COc1nc2nc3CCN(CC#C)Cc3c(N)c2cc1C#N
F[C@H]1Cc2ccccc2[C@@H]1NCC#C |r|
CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O
NC\C=C(\F)COc1ccccc1
CC(C)(C)c1ccc(OC\C(F)=C/CN)cc1
NC\C=C(\F)COc1cccc(c1)C(F)(F)F
NC\C=C(\F)COc1ccc(cc1)C(N)=O
NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCC1
NC\C=C(\F)COc1ccc(cc1)C(=O)NC1CCCCC1
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|
CCCN1CCC(CC1)c1ccccc1
CCCN1CCC(CC1)c1ccc(Cl)cc1
CCCN1CCC(CC1)c1ccc(cc1)N1CCOCC1
CCCN1CCC(CC1)c1ccc(OC)cc1
CCCCOc1ccc(cc1)C1CCN(CCC)CC1
CCCN1CCC(CC1)c1ccc(cc1)C#N
CCCN1CCN(CC1)c1ccccc1
CCCN1CCN(CC1)c1ccc(OC)cc1
CCCN1CCN(CC1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1
CCCN1CCC(CC1)c1ccc(cc1)C(F)(F)F
CCCN1CCC(CC1)c1ccc(cc1)S(C)(=O)=O
C\N=C1/NC(=O)\C(=C/c2c[nH]c3cccc(Br)c23)N1C
Brc1ccc2c(\C=C3/NC(=S)NC3=O)c[nH]c2c1
C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3c(Br)cccc23)N1C
CN1C(N)=NC(=Cc2c[nH]c3ccccc23)C1=O |w:6.6,c:3|
CN1C(=N)NC(=O)\C1=C/c1c[nH]c2c(Br)cccc12
CN1C(=N)NC(=O)\C1=C/c1c[nH]c2cc(Br)ccc12
CN1C(=N)NC(=O)\C1=C/c1c[nH]c2ccc(Br)cc12
CN1C(=N)NC(=O)\C1=C/c1c[nH]c2cccc(Br)c12
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]c3ccc(Br)cc23)C(=O)N1 |w:4.4,t:1|
NC1=NC(=Cc2c[nH]c3cccc(Br)c23)C(=O)N1 |w:4.4,t:1|
NC1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1 |w:4.4,t:1|
CSC1=NC(=O)C(N1)=Cc1c[nH]c2c(Br)cccc12 |w:8.9,t:2|
CNC1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1 |w:5.5,t:2|
CNC1=NC(=Cc2c[nH]c3cccc(Br)c23)C(=O)N1 |w:5.5,t:2|
CNC1=NC(=Cc2c[nH]c3ccc(Br)cc23)C(=O)N1 |w:5.5,t:2|
Brc1cccc2[nH]cc(\C=C3/NC(=S)NC3=O)c12
Brc1ccc2[nH]cc(\C=C3/NC(=S)NC3=O)c2c1
Brc1cccc2c(\C=C3/NC(=S)NC3=O)c[nH]c12
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|
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=NC(=O)C(N1)=Cc1c[nH]c2cccc(Br)c12 |w:8.9,t:2|
CSC1=N\C(=C/c2c[nH]c3ccccc23)C(=O)N1 |t:2|
O=C1NC(=S)NC1=Cc1c[nH]c2ccccc12 |w:7.8|
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]c3cc(Br)ccc23)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]c3c(Br)cccc23)C(=O)N1C |w:5.5,t:2|
CNC1=NC(=Cc2c[nH]c3cc(Br)ccc23)C(=O)N1C |w:5.5,t:2|
CNC1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1C |w:5.5,t:2|
CNC1=NC(=Cc2c[nH]c3cccc(Br)c23)C(=O)N1C |w:5.5,t:2|
NC1=NC(=Cc2c[nH]c3cc(Br)ccc23)C(=O)N1 |w:4.4,t:1|
CNC1=NC(=Cc2c[nH]c3ccc(Br)cc23)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]c3cc(Br)ccc23)C1=O
CN1C(=N)N(C)\C(=C\c2c[nH]c3ccc(Br)cc23)C1=O
CN1C(=N)N(C)\C(=C\c2c[nH]c3cccc(Br)c23)C1=O
C\N=C1/NC(=O)\C(=C/c2c[nH]c3c(Br)cccc23)N1C
CN1C(=N)N(C)\C(=C\c2c[nH]c3ccccc23)C1=O
C\N=C1/NC(=O)\C(=C/c2c[nH]c3cc(Br)ccc23)N1C
C\N=C1/NC(=O)\C(=C/c2c[nH]c3ccc(Br)cc23)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]c3cc(Br)ccc23)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]c3cccc(Br)c23)C1=O |w:6.6,c:3|
O=c1ccoc2ccccc12
OC(=O)c1coc2ccc(OCc3cccc(Br)c3)cc2c1=O
Brc1cccc(COc2ccc3occ(C=O)c(=O)c3c2)c1
COC(=O)c1coc2ccc(OCc3cccc(Br)c3)cc2c1=O
O=Cc1coc2ccccc2c1=O
CC(=O)c1c(O)cccc1OCc1cccc(Br)c1
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
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)c1ccc(OCc2ccc(Br)cc2)cc1O
N#Cc1ccc(cc1)-c1csc(N=NCc2cccs2)n1 |w:12.12|
CC(N=Nc1nc(cs1)-c1ccc(cc1)C#N)c1nccs1 |w:3.3|
CC(N=Nc1nc(cs1)-c1ccc(cc1)C#N)c1ccccn1 |w:3.3|
CC(N=Nc1nc(cs1)-c1ccc(cc1)C#N)c1ccncc1 |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(F)cc1)c1ccco1 |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(-c2csc(N=NCc3ccco3)n2)c(F)c1 |w:9.8|
CC(N=Nc1nc(cs1)-c1ccc(F)cc1F)c1nccs1 |w:3.3|
CC(N=Nc1nc(cs1)-c1ccc(F)cc1F)c1ccccc1 |w:3.3|
CC(N=Nc1nc(cs1)-c1ccc(F)cc1F)c1ccccn1 |w:3.3|
Fc1ccc(-c2csc(N=NCc3c[nH]c4ccccc34)n2)c(F)c1 |w:9.8|
CC(C)CCSc1ccc2C(=O)NC(=O)c2c1
O=C1NC(=O)c2cc(SC3CCCCC3)ccc12
O=C1NC(=O)c2cc(SCCc3ccccc3)ccc12
Brc1ccc(Sc2ccc3C(=O)NC(=O)c3c2)cc1
Clc1ccc(Sc2ccc3C(=O)NC(=O)c3c2)cc1
O=C1NC(=O)c2cc(Sc3ccccc3)ccc12
COc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1
Fc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1
Brc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1
Clc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1
O=C1NC(=O)c2cc(SCc3ccccc3)ccc12
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
Cc1c(C)c(=O)oc2cc(OCc3nnc(S)o3)ccc12
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
Cc1cc(=O)oc2cc(OCc3nnc(S)o3)ccc12
Cc1c(C)c(=O)oc2cc(OCC(=O)NN)ccc12
Cc1cc(=O)oc2cc(OCC(=O)NN)ccc12
CCCN1CCC(CC1)c1cc2ccccc2s1
CCCN1CCC(CC1)c1ccc2ccccc2c1
CCCN1CCC(CC1)c1cccc2ccccc12
CCCN1CCC(CC1)N1C(=O)C(=O)c2ccccc12
CCCN1CCC(CC1)n1c2ccc(Cl)cc2n(C)c1=O
CCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
CCCN1CCC(CC1)n1cnc2ccccc12
CCCN1CCC(CC1)n1ccc2ccccc12
CCCN1CCC(CC1)c1n[nH]c2ccccc12
CCCN1CCC(CC1)c1noc2cc(F)ccc12
CCCN1CCC(CC1)c1coc2ccccc12
CCCN1CCC(CC1)c1csc2ccccc12
CCCN1CCC(CC1)c1cn(C)c2ccc(F)cc12
CCCN1CCC(CC1)c1cn(C)c2cc(F)ccc12
CCCN1CCC(CC1)c1c[nH]c2cc(F)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(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
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
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(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
O=c1ccc2ccc(COc3ccccc3)cc2o1
Cc1c(C)c(=O)oc2cc(OCc3cccc(N)c3)ccc12
Cc1c(C)c(=O)oc2cc(OS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc12
Cc1ccc(cc1)S(=O)(=O)Nc1ccc2c(C)c(C)c(=O)oc2c1
Cc1c(C)c(=O)oc2cc(OCc3ccc(F)c(F)c3)ccc12
Cc1c(C)c(=O)oc2cc(\C=C\c3ccccc3)ccc12
CC(=O)Nc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1
Cc1c(C)c(=O)oc2cc(OCc3ccccc3)ccc12
COc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1
Cc1c(C)c(=O)oc2cc(OCc3cccc(c3)C(F)(F)F)ccc12
Cc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1
Cc1c(C)c(=O)oc2cc(NCc3ccccc3)ccc12
COc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1
Cc1cc(=O)c2cc(OCc3ccccc3)ccc2o1
C(Oc1ccc2CCOc2c1)c1ccccc1
CC(Oc1ccc2c(C)c(C)c(=O)oc2c1)c1ccccc1
c1ccc2c(c1)C=CC(=O)O2
Cc1c(C)c(=O)oc2cc(O)c(OCc3ccccc3)cc12
O=c1cc(oc2ccc(OCc3ccccc3)cc12)-c1ccccc1
Cc1c(C)c(=O)oc2cc(OCc3ccc(cc3)C#N)ccc12
O=c1oc2cc(OCc3ccccc3)ccc2c2CCCc12
Cc1c(C)c(=O)oc2cc(OCc3ccc(cc3)[N+]([O-])=O)ccc12
Cc1c(C)c(=O)oc2cc(OCc3cccc(c3)[N+]([O-])=O)ccc12
O=c1oc2cc(OCc3ccccc3)ccc2c2CCCCc12
Cc1c(C)c(=O)oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc12
Cc1c(C)c(=O)oc2cc(OCc3cc(cc(c3)[N+]([O-])=O)[N+]([O-])=O)ccc12
Cc1c(C)c(=O)oc2cc(OCc3cccc(OC(F)(F)F)c3)ccc12
Cc1c(C)c(=O)oc2cc(OCc3ccccc3C#N)ccc12
Cc1c(C)c(=O)oc2cc(NC(=O)c3ccccc3)ccc12
Cc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1
Cc1c(C)c(=O)oc2cc(OCc3cc(F)cc(F)c3)ccc12
Cc1c(C)c(=O)oc2cc(OCc3ccc(F)c(O)c3)ccc12
Cc1c(C)c(=O)oc2cc(OCc3cccc(F)c3)ccc12
Cc1c(C)c(=O)oc2cc(OCc3ccccc3)c(O)cc12
Cc1cc(=O)oc2cc(OCc3cccc(c3)[N+]([O-])=O)ccc12
Oc1cc2oc(=O)ccc2cc1OCc1ccccc1
Cc1c(C)c(=O)oc2cc(OCc3cccc(c3)C#N)ccc12
Cc1c(C)c(=O)oc2cc(OCCc3ccccc3)ccc12
O=c1ccc2ccc(CNc3ccccc3)cc2o1
Cc1ccccc1COc1ccc2c(C)c(C)c(=O)oc2c1
Cc1c(C)c(=O)oc2cc(OCc3cccc(O)c3)ccc12
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(OC)cc1)c1ccccc1 |c:5|
CCC(=O)N1N=C(CC1c1ccccc1)c1ccc(Cl)cc1 |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(C)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(Cl)cc1)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(CC1c1ccc(OC)cc1)c1ccc(C)cc1 |c:5|
CCC(=O)N1N=C(CC1c1ccccc1)c1ccc(OC)cc1 |c:5|
CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)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(OC)cc1)c1ccc(OC)cc1 |c:5|
CCC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccccc1 |c:5|
[#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|
Cn1cccc1C(=O)[C@@H](SN1CCCC1)c1ccccc1 |r|
Cn1cccc1C(=O)[C@H](SN1CCCC1)c1ccccc1 |r|
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(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
Cn1c(COc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
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(CCSc2ccccc2)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(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
CC1(C)OC(\C=C\COc2ccc3ccc(=O)oc3c2)=CC1=O |c:21|
Cc1cc2ccc(OC\C=C\C3=CC(=O)C(C)(C)O3)cc2oc1=O |t:11|
Cc1c(C)c(=O)oc2cc(OC\C=C\C3=CC(=O)C(C)(C)O3)ccc12 |t:14|
C\C(=C/COc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 |t:18|
OC(=O)c1cc2cc(Br)ccc2cc1O
CCOC(=O)c1cc2cc(C)ccc2cc1O
Cc1ccc2cc(O)c(cc2c1)C(O)=O
OC(=O)c1cc2cc(ccc2cc1O)[N+]([O-])=O
Cc1ccc2cc(O)c(cc2c1)C(Cl)=O
Oc1cc2ccc(cc2cc1C(Cl)=O)[N+]([O-])=O
Oc1cc2ccc(Br)cc2cc1C(Cl)=O
OC(=O)c1cc2cc(Cl)ccc2cc1O
CCOC(=O)c1cc2ccccc2cc1O
Oc1cc2ccc(Cl)cc2cc1C(Cl)=O
CCOC(=O)c1cc2cc(ccc2cc1O)[N+]([O-])=O
CCOC(=O)c1cc2cc(Br)ccc2cc1O
CCOC(=O)c1cc2cc(Cl)ccc2cc1O
Oc1cc2ccccc2cc1C(Cl)=O
c1ccc2cc(c(cc2c1)C(=O)O)O
Cc1c(C)c(=O)oc2cc(OC[C@@H](O)c3ccccc3)ccc12
Cc1c(C)c(=O)oc2cc(OC[C@H](O)c3ccccc3)ccc12
CN(c1ccc2c(C)c(C)c(=O)oc2c1)S(=O)(=O)c1ccc(C)cc1
Cc1cc2ccc(OCc3ccccc3)cc2oc1=O
Cc1c(C)c(=O)oc2cc(OCCOc3ccccc3)ccc12
Cc1c(C)c(=O)oc2cc(ccc12)S(=O)(=O)Cc1ccccc1
Cc1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O
Cc1c(C)c(=O)oc2cc(OCS(=O)(=O)c3ccccc3)ccc12
Cc1c(C)c(=O)oc2cc(SCc3ccccc3)ccc12
O=c1ccc2ccc(OS(=O)(=O)c3ccccc3)cc2o1
O=C(OCc1ccc2ccc(=O)oc2c1)c1ccccc1
Cc1c(C)c(=O)oc2cc(CCc3ccccc3)ccc12
Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)-n1cc(nn1)-c1ccc(Cl)cc1
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#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\c2ccc(cc2)C#N)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\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(Cl)cc2)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
Cn1c2ccc(OCc3ccccc3)cc2c2n(C)c(=O)n(C)c(=O)c12
Cn1c2cc(ccc2c2n(C)c(=O)n(C)c(=O)c12)-c1cccc(Cl)c1
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
CNC(=O)Cc1coc2cc(OS(=O)(=O)c3cccc(Cl)c3)ccc12
CCNC(=O)\C=C1\COc2cc(OS(=O)(=O)c3cccc(Cl)c3)ccc12
CNC(=O)\C=C1\COc2c1ccc(OS(=O)(=O)CCC(F)(F)F)c2C
CNC(=O)\C=C1\COc2cc(OS(=O)(=O)CCC(F)(F)F)ccc12
CNC(=O)\C=C1\COc2c1ccc(OS(=O)(=O)c1ccc(OC)cc1)c2C
CNC(=O)\C=C1\COc2cc(OS(=O)(=O)c3ccc(OC)cc3)ccc12
CNC(=O)\C=C1\COc2c1ccc(OS(=O)(=O)c1ccc(cc1)C#N)c2C
CNC(=O)\C=C1\COc2c1ccc(OS(=O)(=O)c1cccc(Cl)c1)c2C
CNC(=O)\C=C1\COc2c1ccc(OS(=O)(=O)c1ccccc1)c2C
CNC(=O)\C=C1\COc2cc(OS(=O)(=O)c3ccc(Cl)s3)ccc12
CNC(=O)\C=C1\COc2cc(OS(=O)(=O)c3ccc(cc3)S(C)(=O)=O)ccc12
CNC(=O)C=C1COc2cc(OS(=O)(=O)c3ccc(cc3)C(C)=O)ccc12 |w:4.3|
CNC(=O)\C=C1\COc2cc(OS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc12
CNC(=O)\C=C1\COc2cc(OS(=O)(=O)c3ccc(cc3)C#N)ccc12
CNC(=O)\C=C1\COc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc12
CNC(=O)\C=C1\COc2cc(OS(=O)(=O)c3cccc(c3)C#N)ccc12
CNC(=O)\C=C1\COc2cc(OS(=O)(=O)c3cccc(F)c3)ccc12
CNC(=O)\C=C1\COc2cc(OS(=O)(=O)c3cccc(Cl)c3)ccc12
CNC(=O)\C=C1\COc2cc(OS(=O)(=O)c3ccccc3)ccc12
Oc1ccccc1C(=O)\C=C\C=C\c1ccc(Cl)cc1
Oc1ccc(C=CC(=O)CC(=O)c2ccccc2O)cc1O |w:6.6|
Oc1ccc(C=CC(=O)CC(=O)c2ccccc2O)cc1 |w:6.6|
COc1cc(C=CC(=O)CC(=O)c2c(O)cccc2OC)ccc1O |w:6.6|
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
Oc1ccc(C(=O)\C=C\C=C\c2ccc(Cl)cc2)c(O)c1
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|
CCCN1CCN(CC1)c1ccccc1S(C)(=O)=O
CCCN1CCC(CC1)c1ccccc1OC
CCCN1CCN(CC1)c1ccccc1OC
CCCN1CCC(CC1)c1cccc(c1)S(=O)(=O)C1CCCC1
CCCN1CCN(CC1)c1cccc(O)c1
CCCN1CCN(CC1)c1cccc(c1)S(C)(=O)=O
CCCN1CCN(CC1)c1cccc(c1)C#N
CCCN1CCC(CC1)c1cccc(c1)C(F)(F)F
CCCN1CCC(CC1)c1cccc(OC)c1
CCCN1CCN(CC1)c1cccc(OC)c1
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|
C[C@@H]1CC\C(C1)=N/Nc1nc(cs1)-c1ccc(F)cc1F |r|
CC1CC\C(C1)=N/Nc1nc(cs1)-c1ccc(F)cc1F
CC1CCC\C1=N/Nc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O
CC1CC\C(C1)=N/Nc1nc(cs1)-c1ccc(F)cc1
CC1CCC\C1=N/Nc1nc(cs1)-c1ccc(cc1)C#N
CC1CCC\C1=N/Nc1nc(cs1)-c1ccc(F)cc1
CC1CCC\C1=N/Nc1nc(cs1)-c1ccc(F)cc1F
CC1CC\C(C1)=N/Nc1nc(cs1)-c1ccc(cc1)C#N
C[C@@H]1CC\C(C1)=N\Nc1nc(cs1)-c1ccc(F)cc1F |r|
O=C(NCCCN1CCOCC1)c1cc2ccccc2oc1=O
Brc1cc(Br)c2oc(=O)c(cc2c1)C(=O)NCCCN1CCOCC1
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
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCC(=O)C=C2)c(F)c1 |r,c:21|
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCC(=O)C=C2)c(F)c1F |r,c:21|
Cn1nnc(n1)-c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](COP(O)(O)=O)OC1=O |r|
c1conc1NC[C@H]2CN(C(=O)O2)c3cc(c(c(c3F)F)N4CCC(=O)C=C4)F
CC(=O)NC[C@H]1CN(C(=O)O1)c1cc(F)c(N2CCC(=O)C=C2)c(F)c1F |r,c:22|
COC(=O)NC[C@H]1CN(C(=O)O1)c1cc(F)c(N2CCC(=O)C=C2)c(F)c1F |r,c:23|
Fc1cc(N2C[C@H](Cn3ccnn3)OC2=O)c(F)c(F)c1N1CCC(=O)C=C1 |r,c:29|
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)C(C#N)C2CCN(Cc3ccccc3)CC2)c2cccnc12
Oc1ccc(CN(CC#C)CC2CCN(Cc3ccccc3)CC2)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-][N+](=O)c1ccc2oc(=O)c(cc2c1)C(=O)SCc1ccco1
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(C[C@H]1c1ccccc1)c1ccccc1
N[C@]1(CCc2ccccc2)C[C@H]1c1ccccc1
N[C@]1(Cc2ccc3ccccc3c2)C[C@H]1c1ccccc1
CCC[C@@]1(N)C[C@H]1c1ccccc1
CC[C@@]1(N)C[C@H]1c1ccccc1
CC[C@@]1(N)C[C@@H]1c1ccccc1
C[C@@]1(N)C[C@H]1c1ccccc1
C[C@]1(N)C[C@@H]1c1ccccc1
N[C@]1(Cc2ccccc2)C[C@@H]1c1ccccc1
N[C@]1(Cc2ccccc2)C[C@H]1c1ccccc1
CC[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
N[C@@]1(C[C@H]1c1ccccc1)c1ccccc1
ClCC(=O)Nc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
NC(=O)CNc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
NC(=O)CCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
OCCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Cc1ccc2oc(=O)c(cc2c1)-c1ccc(cc1)[N+]([O-])=O
COc1cc(NC(=O)c2ccc3cn[nH]c3c2)ccc1Cl
Oc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1Cl
COc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1Cl
COc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1OC
Fc1ccc(NC(=O)c2ccc3cn[nH]c3c2)cc1F
Fc1cc(NC(=O)c2ccc3cn[nH]c3c2)ccc1Cl
Fc1ccc(NC(=O)c2ccc3cn[nH]c3c2)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
Clc1ccc(cc1Cl)C(=O)Nc1ccc2[nH]ncc2c1
Clc1cccc(C(=O)Nc2ccc3[nH]ncc3c2)c1Cl
Fc1cccc(Cl)c1C(=O)Nc1ccc2[nH]ncc2c1
Cn1cc(ccc1=O)C(=O)Nc1ccc2[nH]ncc2c1
Clc1cc(cnc1N1CCOCC1)C(=O)Nc1ccc2cn[nH]c2c1
Clc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl
Clc1ccc(NC(=O)c2ccc3nncn3c2)cc1Cl
Clc1ccc(NC(=O)c2ccc3nccn3c2)cc1Cl
Cn1ccc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Clc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1Cl
Oc1cc(NC(=O)c2ccc3cn[nH]c3c2)ccc1Cl
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
Oc1ccccc1C1CC(=NN1C(=O)CN1CCOCC1)c1ccc(F)cc1 |c:10|
Oc1ccccc1C1CC(=NN1C(=O)CN1CCOCC1)c1ccccc1 |c:10|
Cc1ccc(cc1)C1=NN(C(C1)c1ccccc1O)C(=O)CN1CCOCC1 |t:8|
COc1ccc(cc1)C1=NN(C(C1)c1ccccc1O)C(=O)CN1CCOCC1 |t:9|
Oc1ccc(Cl)cc1C1CC(=NN1C(=O)CN1CCCCC1)c1ccc(Cl)cc1 |c:11|
Oc1ccc(Cl)cc1C1CC(=NN1C(=O)CN1CCCCC1)c1ccc(F)cc1 |c:11|
Cc1ccc(cc1)C1=NN(C(C1)c1cc(Cl)ccc1O)C(=O)CN1CCCCC1 |t:8|
COc1ccc(cc1)C1=NN(C(C1)c1cc(Cl)ccc1O)C(=O)CN1CCCCC1 |t:9|
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|
Cc1ccc(cc1)C1=NN(C(C1)c1cc(Cl)ccc1O)C(=O)CBr |t:8|
Oc1ccccc1C1CC(=NN1C(=O)CBr)c1ccc(F)cc1 |c:10|
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)CN1CCC(O)CC1 |t:1|
Oc1ccccc1C1CC(=NN1C(=O)Cn1ccnc1)c1ccc(F)cc1 |c:10|
Oc1ccc(Cl)cc1C1CC(=NN1C(=O)CN1CCOCC1)c1ccc(Cl)cc1 |c:11|
Oc1ccc(Cl)cc1C1CC(=NN1C(=O)CN1CCOCC1)c1ccc(F)cc1 |c:11|
Cc1ccc(cc1)C1=NN(C(C1)c1cc(Cl)ccc1O)C(=O)CN1CCOCC1 |t:8|
COc1ccc(cc1)C1=NN(C(C1)c1cc(Cl)ccc1O)C(=O)CN1CCOCC1 |t:9|
Oc1ccccc1C1CC(=NN1C(=O)CN1CCOCC1)c1ccc(Cl)cc1 |c:10|
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)CN1CCNCC1 |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)Cn1ccnc1 |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|
COc1ccc(cc1)-c1c(Br)c2cc(C#N)c(cc2n1OC)C#N
Cc1ccc(cc1)-c1c(Br)c2cc(C#N)c(cc2n1O)C#N
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
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(COc1ccc2OCOc2c1)Cc1ccccc1
C(Cc1ccccc1)Oc1ccc2OCOc2c1
Brc1cccc(COc2ccc3OCOc3c2)c1
Clc1cccc(COc2ccc3OCOc3c2)c1
C(COc1ccc2OCCOc2c1)Oc1ccccc1
C(COc1ccc2OCCOc2c1)Cc1ccccc1
C(Cc1ccccc1)Oc1ccc2OCCOc2c1
Brc1cccc(COc2ccc3OCCOc3c2)c1
Clc1cccc(COc2ccc3OCCOc3c2)c1
C(Oc1ccc2OCCOc2c1)c1ccccc1
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
CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(C4CCCC4)c(-c4ccc(F)cn4)n(C)c3c2)ccc1\C=C\C(O)=O
Cn1c(c(C2CCCC2)c2ccc(cc12)C(=O)NC1(CCC1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1)-c1ccccn1
CC(=O)NNc1nc2ccccc2nc1Cc1ccccc1
O=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccccc1
Clc1ccc(cc1)C(=O)NNc1nc2ccccc2nc1Cc1ccccc1
COc1ccc(cc1)C(=O)NNc1nc2ccccc2nc1Cc1ccccc1
Oc1ccc(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(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
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
COc1ccc(OCc2cccc(c2)C(=C)C[NH+](C)CC#C)cc1
C[NH+](CC#C)CC(=C)c1ccoc1
C[NH+](CC#C)CC(=C)c1ccc(CNc2ccccc2)cc1
C[NH+](CC#C)CC(=C)c1cccc(OCc2cccc(F)c2)c1
COc1cccc(COc2cccc(c2)C(=C)C[NH+](C)CC#C)c1
C[NH+](CC#C)CC(=C)c1cccc(CNc2ccccc2)c1
C[NH+](CC#C)CC(=C)c1ccc(COc2ccccc2)cc1
C[NH+](CC#C)CC(=C)c1cccc(COc2ccccc2)c1
C[NH+](CC#C)CC(=C)c1ccc(OCc2ccccc2)cc1
C[NH+](CC#C)CC(=C)c1cccc(OCc2ccccc2)c1
COc1ccc(cc1)C(=C)CN(C)CC#C
COc1cccc(c1)C(=C)C[NH+](C)CC#C
COc1ccccc1C(=C)CN(C)CC#C
CN(CC#C)CC(=C)c1ccc(F)cc1
C[NH+](CC#C)CC(=C)c1cccc(F)c1
CN(CC#C)CC(=C)c1ccccc1F
CN(CC#C)CC(=C)c1ccc(Br)cc1
C[NH+](CC#C)CC(=C)c1cccc(Br)c1
C[NH+](CC#C)CC(=C)c1ccc(Cl)cc1
C[NH+](CC#C)CC(=C)c1cccc(Cl)c1
C#CCN(C)C/C(=C\F)c1ccccc1
CN(CC=C)CC(=C)c1ccccc1
C[NH+](CC#C)CC(=C)Cc1ccc(F)c(F)c1
C[NH+](CC#C)CC(=C)CCc1ccccc1
C[NH+](CCCC(=C)c1ccccc1)CC#C
CC(NCC#C)C(=C)c1ccccc1
CC(C#C)[NH+](C)CC(=C)c1ccccc1
CC[NH+](CC#C)CC(=C)c1ccccc1
C=C(CNCC#C)c1ccccc1
C[NH+](CC#C)CC(=C)c1nccs1
C[NH+](CC#C)CC(=C)c1ccsc1
CN(CC#C)CC(=C)c1cccs1
C[NH+](CC#C)CC(=C)c1ccco1
C[NH+](CC#C)CC(=C)c1ccncc1
C[NH+](CC#C)CC(=C)c1cccnc1
C[NH+](CC#C)CC(=C)c1ccccn1
CN(CC#C)CC(=C)c1ccccc1
C[NH+](CC#C)CC(=C)c1cccc(OCc2ccc(F)cc2)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
C=C(C[NH2+]CC#C)c1cccc(COc2ccccc2)c1
Fc1cccc(COc2cccc(c2)C(=C)C[NH2+]CC#C)c1
[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(Cl)cc1
N\N=C\c1ccc(cc1)[N+]([O-])=O
CCOC(=O)C(C(=O)NCCc1ccccc1)[n+]1ccc2ccccc2c1
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]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]1c1cccc(NC(=O)c2ccccc2)c1 |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|
O=c1ccc2ccc(OCCCCCN3CCN(CCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
O=c1ccc2ccc(OCCCCCCN3CCN(CCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
O=c1ccc2ccc(OCCCCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
O=c1ccc2ccc(OCCCCCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
Cc1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
Cc1c(C)c(=O)oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
Cc1c(Cl)c(=O)oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
CCOc1cc(=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|
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|
CC(=O)N1C(=O)C(=O)c2ccccc12
COC(=O)CCCNC(=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)C1(CCCC1)NC(=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)C[C@H](NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1)C(=O)OC |r|
COC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1ccccc1NC(C)=O |r|
COC(=O)CCCCCNC(=O)C(=O)c1ccccc1NC(C)=O
COC(=O)CCCNC(=O)C(=O)c1ccccc1NC(C)=O
COC(=O)CCNC(=O)C(=O)c1ccccc1NC(C)=O
COC(=O)C[C@H](NC(=O)C(=O)c1ccccc1NC(C)=O)C(=O)OC |r|
COC(=O)C(C)(C)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@@H](NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1)C(C)C |r|
COC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1 |r|
CCOC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
CN(CCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Cc1c(C)c(=O)oc2cc(OCCCCCNCc3ccccc3)ccc12
CN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
CCN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
CCN(CCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccc(Cl)c1
CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
O=c1ccc2ccc(OCc3ccc(CCNCc4ccccc4)cc3)cc2o1
CN(C)Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1
CCN(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)Cc1ccccc1
COC(=O)CN1C(Nc2ccccc2C1=O)c1ccc(OC)cc1
COC(=O)CN1C(Nc2ccccc2C1=O)c1ccc(Cl)cc1
COC(=O)C(C)N1C(Nc2ccccc2C1=O)c1ccccc1
COC(=O)[C@H](C)NC(=O)c1ccccc1N |r|
COC(=O)CN1C(Nc2ccccc2C1=O)c1ccccc1
COC(=O)CCCCCNC(=O)c1ccccc1N
COC(=O)CN1C(Nc2ccccc2C1=O)c1ccco1
COC(=O)CN1C(Nc2ccccc2C1=O)c1ccc2OCOc2c1
COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1N |r|
COC(=O)CCCNC(=O)c1ccccc1N
COC(=O)CCNC(=O)c1ccccc1N
COC(=O)CNC(=O)c1ccccc1N
NNC(=O)CCN1C(Nc2ccccc2C1=O)c1ccccc1
COC(=O)CCCCCNC(=O)c1ccccc1\N=C\c1ccccc1
NNC(=O)CCCN1C(Nc2ccccc2C1=O)c1ccco1
NNC(=O)CCN1C(Nc2ccccc2C1=O)c1ccc(Cl)cc1
NNC(=O)CCN1C(Nc2ccccc2C1=O)c1ccc2OCOc2c1
NNC(=O)CCCN1C(Nc2ccccc2C1=O)c1ccc2OCOc2c1
NNC(=O)CCCN1C(Nc2ccccc2C1=O)c1ccccc1
COC(=O)CCCCCN1C(Nc2ccccc2C1=O)c1ccc(Cl)cc1
NNC(=O)C(Cc1ccccc1)N1C(Nc2ccccc2C1=O)c1ccco1
COC(=O)CCCN1C(Nc2ccccc2C1=O)c1ccc2OCOc2c1
COC(=O)CCCN1C(Nc2ccccc2C1=O)c1ccccc1
COC(=O)CCCCCN1C(Nc2ccccc2C1=O)c1ccc2OCOc2c1
COC(=O)CCCN1C(Nc2ccccc2C1=O)c1ccco1
COC(=O)CCN1C(Nc2ccccc2C1=O)c1ccccc1
NNC(=O)C(Cc1ccccc1)N1C(Nc2ccccc2C1=O)c1ccc(Cl)cc1
COC(=O)CCN1C(Nc2ccccc2C1=O)c1ccc(Cl)cc1
COC(=O)CCN1C(Nc2ccccc2C1=O)c1ccc2OCOc2c1
CC(N1C(Nc2ccccc2C1=O)c1ccco1)C(=O)NN
COc1ccc(cc1)C1Nc2ccccc2C(=O)N1CC(=O)NN
NNC(=O)CN1C(Nc2ccccc2C1=O)c1ccccc1
NNC(=O)CN1C(Nc2ccccc2C1=O)c1ccc(Cl)cc1
NNC(=O)CN1C(Nc2ccccc2C1=O)c1ccco1
COC(=O)C(C)N1C(Nc2ccccc2C1=O)c1ccco1
COC(=O)C(C)N1C(Nc2ccccc2C1=O)c1ccc2OCOc2c1
COC(=O)C(Cc1ccccc1)N1C(Nc2ccccc2C1=O)c1ccc(Cl)cc1
COC(=O)C(Cc1ccccc1)N1C(Nc2ccccc2C1=O)c1ccco1
C[C@H](Cc1ccc(NCc2cc(O)ccc2O)cc1)N(C)CC#C |r|
C[C@H](Cc1ccc(NCc2cc(Cl)ccc2O)cc1)N(C)CC#C |r|
COc1ccc(O)c(CNc2ccc(C[C@@H](C)N(C)CC#C)cc2)c1 |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(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\c1ccccc1Cl
COc1ccc(cc1)C(=O)\C=C\c1ccccc1OC
COc1ccc(cc1)C(=O)\C=C\c1cccc(OC)c1
COc1ccc(\C=C\C(=O)c2ccc(OC)cc2)cc1
Oc1ccc(cc1)C(=O)\C=C\c1ccccc1
Oc1ccc(cc1)C(=O)\C=C\c1ccccc1C(F)(F)F
COc1ccccc1\C=C\C(=O)c1ccc(O)cc1
FC(F)(F)c1ccccc1\C=C\C(=O)Nc1ccccc1
Clc1ccccc1\C=C\C(=O)Nc1ccccc1
COc1ccc(NC(=O)\C=C\c2ccccc2C(F)(F)F)cc1
COc1ccc(NC(=O)\C=C\c2ccccc2Cl)cc1
Oc1ccc(NC(=O)\C=C\c2ccccc2C(F)(F)F)cc1
Oc1ccc(NC(=O)\C=C\c2ccccc2Cl)cc1
Oc1cccc(NC(=O)\C=C\c2ccccc2C(F)(F)F)c1
Oc1cccc(NC(=O)\C=C\c2ccccc2Cl)c1
Fc1cccc(NC(=O)\C=C\c2ccccc2C(F)(F)F)c1
Fc1cccc(NC(=O)\C=C\c2cccc(c2)C(F)(F)F)c1
Fc1cccc(NC(=O)\C=C\c2ccc(cc2)C(F)(F)F)c1
Fc1ccccc1NC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Fc1ccc(NC(=O)\C=C\c2ccc(cc2)C(F)(F)F)cc1
FC(F)(F)c1ccccc1\C=C\C(=O)Oc1ccccc1
COc1ccc(OC(=O)\C=C\c2ccccc2C(F)(F)F)cc1
COc1ccc(OC(=O)\C=C\c2ccccc2Cl)cc1
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
O=C(NCc1ccccc1)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)c1ccccc1 |r|
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cc(OC)ccc3oc2=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)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
CCOc1ccc2cc(C(=O)\C=C\c3c(OC)cc(OC)cc3\C=C\c3ccc(OC)cc3)c(=O)oc2c1
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)c2cc3cc(F)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(Cl)ccc3oc2=O)cc1
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3ccc(cc3oc2=O)N(C)C)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)c2cc3ccc(Br)cc3oc2=O)cc1
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3cc(Br)ccc3oc2=O)cc1
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)c2cc3cccc(OC)c3oc2=O)cc1
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)c2cc3ccccc3oc2=O)cc1
Clc1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
Brc1cccc(\C=C2/C(=O)Nc3ccccc23)c1
Brc1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
Brc1ccc(\C=C2/C(=O)Nc3ccccc23)s1
FC(F)(F)c1ccc(\C=C\C(=O)c2ccc(Cl)s2)cc1
Clc1cccc(\C=C\C(=O)c2ccc[nH]2)c1
COc1ccc(cn1)C(=O)\C=C\c1cccc(Cl)c1
Fc1ccc(\C=C\C(=O)c2ccc[nH]2)cc1Br
FC(F)(F)c1ccc(\C=C\C(=O)c2ccc[nH]2)cc1
FC(F)(F)c1cccc(\C=C\C(=O)c2ccc[nH]2)c1
N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccccc1
FC(F)(F)Oc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
FC(F)(F)c1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
O=c1oc2cc(OCc3ccccc3)ccc2s1
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=C1COc2ccccc2C2CC(=NN12)c1ccccc1 |c:13|
Clc1ccc(cc1)C1=NN2C(C1)c1ccccc1OCC2=O |t:8|
Clc1ccccc1C1=NN2C(C1)c1ccccc1OCC2=O |t:8|
Cc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O |t:8|
Clc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O |t:8|
Fc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O |t:8|
COc1ccc(cc1)C1=NN2C(C1)c1cc(Br)cc(Br)c1OCC2=O |t:9|
CC1Oc2ccccc2C2CC(=NN2C1=O)c1ccccc1Cl |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
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
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
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
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|
COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)C(N)=N |t:10|
Cc1ncc(NC(=O)c2cccc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1 |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
Oc1ccc2C(=O)\C(Cc2c1)=C\c1cccc(F)c1
Cc1cccc(\C=C2/Cc3cc(O)ccc3C2=O)c1
CN(C)c1ccc(\C=C2/Cc3cc(O)ccc3C2=O)cc1
O=C1\C(Cc2ccccc12)=C\c1ccccc1
Oc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(Br)cc1
Oc1ccc2C\C(=C/c3ccccc3)C(=O)c2c1
COc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(cc1)N(C)C
Oc1ccc2C(=O)\C(Cc2c1)=C\c1ccccc1
Oc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(F)cc1
Oc1ccc2C(=O)\C(Cc2c1)=C\c1cccc(Cl)c1
Oc1ccc2C(=O)\C(Cc2c1)=C\c1cccc(c1)C#N
Oc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(cc1)C#N
COc1cccc(\C=C2/Cc3cc(O)ccc3C2=O)c1
CC(C)c1ccc(\C=C2/Cc3cc(O)ccc3C2=O)cc1
Oc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(Cl)c(Cl)c1
Oc1ccc2C(=O)\C(Cc2c1)=C\c1cccc(O)c1
Oc1ccc2C(=O)\C(Cc2c1)=C\c1cccc(Br)c1
Oc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(Cl)cc1
Cc1ccc(\C=C2/Cc3cc(O)ccc3C2=O)cc1
Oc1ccc(\C=C2/Cc3cc(O)ccc3C2=O)cc1
CN(C)c1ccc(\C=C2/Cc3ccccc3C2=O)cc1
COc1ccc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)c(OC)c1
COc1ccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1OC
CN(Cc1ccccc1)Cc1ccc(NC(=O)\C=C\c2ccc(O)cc2)cc1
COc1ccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)c(OC)c1
COc1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)ccc1O
Oc1ccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)c(O)c1
Oc1ccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1O
COc1cc(\C=C\C(=O)Nc2cccc(CN(C)Cc3ccccc3)c2)ccc1O
COc1cccc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)c1
COc1ccc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1
Oc1ccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1
Oc1cccc2ccc(CN(CC#C)C(CCC3CCN(Cc4ccccc4)CC3)C#N)nc12
Oc1cccc2ccc(CN(CCC3CCN(Cc4ccccc4)CC3)CC#C)nc12
Oc1cccc2ccc(CN(CCCC3CCN(Cc4ccccc4)CC3)CC#C)nc12
Oc1cccc2ccc(CN(CC#C)C(CC3CCN(Cc4ccccc4)CC3)C#N)nc12
Oc1cccc2ccc(CN(CC#C)CC3CCN(Cc4ccccc4)CC3)nc12
Oc1cccc2ccc(CN(CC#C)C(C#N)C3CCN(Cc4ccccc4)CC3)nc12
CC(=O)c1ccc(OCc2ccc(F)cc2)cc1F
CC(=O)c1cccc(OCc2ccc(Br)cc2)c1
CC(=O)c1cccc(OCc2ccc(Cl)cc2)c1
CC(=O)c1ccc(OCc2cccc(Cl)c2)cc1O
CC(=O)c1ccc(OCc2ccc(F)cc2)cc1O
Clc1ccc(COc2ccc3C(=O)OCc3c2)cc1
CC(=O)c1ccc(OCc2ccc(F)cc2)cc1
CC(=O)c1ccc(OCc2cccc(F)c2)cc1O
Clc1cccc(COc2ccc3CCC(=O)Nc3c2)c1
Fc1ccc(COc2ccc3C(=O)OCc3c2)cc1
CC1(C)CC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2O1
CC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1F
CC(=O)c1ccc(OCc2cccc(Cl)c2)cc1F
CC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1O
CC(=O)c1ccc(OCc2cccc(Cl)c2)cc1
CC1(C)CC(=O)c2ccc(OCc3ccc(F)cc3)cc2O1
Clc1ccc(COc2ccc3C(=O)CCOc3c2)cc1
FC(F)(F)c1ccc(COc2ccc3C(=O)OCc3c2)cc1
Fc1ccc(COc2ccc3C(=O)CCOc3c2)cc1
CC(=O)c1ccc(OCc2cccc(F)c2)cc1F
COCCCN(CC1CCN(CC#C)CC1)C(=O)c1ccc2ccccc2c1
O=S(=O)(NCC1CCN(CC#C)CC1)c1ccc2ccccc2c1
O=C(NCC1CCCN(CC#C)C1)c1ccc2ccccc2c1
COCCCN(CC1CCCN(CC#C)C1)C(=O)c1ccc2ccccc2c1
O=C(NCC1CCN(CC#C)CC1)c1ccc2ccccc2c1
O=S(=O)(NCC1CCCN(CC#C)C1)c1ccc2ccccc2c1
COCCN(CC1CCCN(CC#C)C1)S(=O)(=O)c1ccc2ccccc2c1
COCCN(CC1CCN(CC#C)CC1)S(=O)(=O)c1ccc2ccccc2c1
COCCCN(CC1CCN(CC#C)CC1)S(=O)(=O)c1ccc2ccccc2c1
COCCN(C[C@H]1CCCN(C1)CC#C)C(=O)c2ccc3ccccc3c2
COCCN(CC1CCN(CC#C)CC1)C(=O)c1ccc2ccccc2c1
COCCCN(CC1CCCN(CC#C)C1)S(=O)(=O)c1ccc2ccccc2c1
CN(C)c1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
CN(C)C(=O)Oc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1
CN(CCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccccc1
CCN(CCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccccc1
CCN(CCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccccc1OC
CCN(CCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccccc1N(C)C
CCN(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)Cc1ccc(cc1)N(C)C
CN(CCCCCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccccc1
CCN(CCCCCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccccc1
CCN(CCCCCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccccc1OC
CCN(CCCCCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccccc1N(C)C
CCN(CCCCCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccc(cc1)N(C)C
Oc1cc(O)c2c(c1)sc1ccccc1c2=O
CN(CCCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccccc1
COc1ccccc1CN(C)CCCOc1cc(O)c2c(c1)sc1ccccc1c2=O
CCN(CCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccc(cc1)N(C)C
CCN(CCCCOc1cc(O)c2c(c1)sc1ccccc1c2=O)Cc1ccccc1N(C)C
COc1ccccc1CN(C)CCCCCCOc1cc(O)c2c(c1)sc1ccccc1c2=O
Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(Cl)c1
Cn1ncc2cc(ccc12)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
Cn1ccc2c(c1)nc1ccccc21
CNc1ccccc1-c1nc(cs1)C(=O)OC
CCCCCC1OC(=O)c2cc(ccc12)N1N=C(C)CC1=O |t:18|
CCCCCCC1OC(=O)c2cc(ccc12)N1N=C(C)CC1=O |t:19|
CCCCC1OC(=O)c2cc(ccc12)-n1nc(cc1O)C(F)(F)F
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|
CCCCCCCC1OC(=O)c2cc(ccc12)N1N=C(C)CC1=O |t:20|
CCCCCCCC1OC(=O)c2cc(ccc12)-n1nc(cc1O)C(F)(F)F
Cn1c2ccsc2cc1C(=O)Nc3cccc(c3)COC
CC(=O)c1ccc(CN2CCC3(C2)CCNCC3)cc1
Cn1c(cc2sccc12)C(=O)Nc1cccc(COc2ccc(OC3CCNCC3)cc2)c1
CN1CCC(CC1)Oc1ccc(OCc2cccc(NC(=O)c3cc4sccc4n3C)c2)cc1
CCOCc1cccc(c1COc2ccc(cc2)OC[C@@H]3CCNC3)NC(=O)c4cc5c(n4C)ccs5
COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@@H]2CCNC2)cc1 |r|
CCn1c2ccsc2cc1C(=O)Nc3cccc(c3COc4ccc(cc4)OC[C@@H]5CCNC5)COC
Clc1ccc(\C=C\c2ccc(cc2)C2=NNC(=O)CO2)cc1 |t:14|
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|
Clc1cccc(c1)C(=O)Nc1ccc(cc1)C1=NN(CCC#N)C(=O)CO1 |t:18|
Clc1cccc(NC(=O)c2ccc(cc2)C2=NNC(=O)CO2)c1 |t:16|
Clc1cccc(c1)C(=O)Nc1ccc(cc1)C1=NNC(=O)CO1 |t:18|
CCN1N=C(OCC1=O)c1ccc(\C=C\c2cccc(Cl)c2)cc1 |c:3|
Fc1cccc(\C=N\c2ccc(cc2)C2=NNC(=O)CO2)c1 |t:15|
CN1N=C(OCC1=O)c1ccc(cc1)\N=C\c1cccc(Cl)c1 |c:2|
Clc1ccc(\C=N\c2ccc(cc2)C2=NNC(=O)CO2)cc1 |t:14|
Clc1cccc(N\N=C\c2ccc(cc2)C2=NNC(=O)CO2)c1 |t:16|
Clc1cccc(c1)\N=N\c1ccc(cc1)C1=NNC(=O)CO1 |t:17|
Cc1cccc(\C=N\c2ccc(cc2)C2=NNC(=O)CO2)c1 |t:15|
Clc1ccc(cc1)\N=N\c1ccc(cc1)C1=NNC(=O)CO1 |t:17|
O=C1COC(=NN1)c1ccc(cc1)\N=C\c1ccccc1 |c:4|
NC(=O)CN1N=C(OCC1=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 |c:5|
Fc1cccc(\C=C\c2ccc(cc2)C2=NNC(=O)CO2)c1 |t:15|
O=C1COC(=NN1)c1ccc(\C=C\c2ccccc2)cc1 |c:4|
Cc1cccc(c1)\N=N\c1ccc(cc1)C1=NNC(=O)CO1 |t:17|
Clc1cccc(CNc2ccc(cc2)C2=NNC(=O)CO2)c1 |t:15|
Clc1cccc(\C=C\c2ccc(cc2)C2=NNC(=O)CO2)c1 |t:15|
Fc1cccc(c1)\N=N\c1ccc(cc1)C1=NNC(=O)CO1 |t:17|
O=C1COC(=NN1)c1ccc(cc1)\N=N\c1ccccc1 |c:4|
Clc1cccc(NC(=O)Nc2ccc(cc2)C2=NNC(=O)CO2)c1 |t:17|
Cc1cccc(\C=C\c2ccc(cc2)C2=NNC(=O)CO2)c1 |t:15|
Clc1cccc(c1)\N=C\c1ccc(cc1)C1=NNC(=O)CO1 |t:17|