1031 SMILES Strings for Angiopoietin-1 receptor

Compound Name
SMILES String
COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(OC)cc1
COc1ccc(cc1)-c1coc2ncnc(N)c12
COc1ccc(cc1)-c1cc2c(N)ncnc2o1
COc1ccc(cc1)-c1c(oc2ncnc(N)c12)-c1ccc(Cl)c(Cl)c1
COc1ccc(cc1)-c1c(oc2ncnc(N)c12)-c1cccc(c1)C(N)=O
COc1ccc(cc1)-c1c(oc2ncnc(N)c12)-c1cccc(c1)C(=O)N(C)C
COc1ccc(cc1)-c1c(oc2ncnc(N)c12)-c1cccc(NS(C)(=O)=O)c1
COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(cc1)N(C)C
CS(=O)(=O)Nc1cccc(c1)-c1oc2ncnc(N)c2c1-c1ccc(cc1)-c1ccccc1
COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1cccc(NC(C)=O)c1
COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)c2cccc(F)c2)cc1
COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccccc2)cc1
COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)NC2CCCCC2)cc1
COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(N)=O)cc1
CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|
CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|
CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.51,10.17,;1.01,10.37,;1.96,9.15,;1.37,7.73,;-.15,7.52,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|
CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(cc2)C(=O)c2ccccc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-1.75,5.73,;-2.08,4.23,;-2.56,8.27,;-3.7,9.31,;-1.1,8.74,;-.51,10.17,;1.01,10.37,;1.96,9.15,;1.37,7.73,;-.15,7.52,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|
COc1cc(ccc1NC(=O)c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:20.21,wD:23.28,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;-1.86,11.33,;-1.46,12.82,;.02,13.22,;1.12,12.14,;.72,10.65,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
COc1cc(ccc1NC(=O)OCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.7,10.71,;1.03,12.22,;-.05,13.31,;.36,14.8,;1.85,15.19,;2.93,14.09,;2.52,12.61,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
COc1cc(ccc1NC(=O)Nc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:21.22,wD:24.29,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.7,10.71,;1.24,12.15,;2.76,12.4,;3.74,11.21,;3.2,9.77,;1.68,9.52,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
COc1cc(ccc1NS(=O)(=O)c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:21.22,wD:24.29,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.44,8.74,;-1.1,7.2,;-.77,10.25,;-1.89,11.3,;-1.53,12.8,;-.06,13.24,;1.06,12.19,;.71,10.69,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
COc1cc(ccc1NS(=O)(=O)Nc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.44,8.74,;-1.1,7.2,;-.77,10.25,;.7,10.71,;1.21,12.17,;2.72,12.45,;3.73,11.28,;3.22,9.83,;1.7,9.54,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
COc1cc(ccc1NCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:19.20,wD:22.27,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.77,10.25,;-1.85,11.34,;-1.45,12.82,;.04,13.22,;1.13,12.12,;.72,10.64,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
COc1cc(ccc1NC(=O)CCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.72,10.64,;1.13,12.12,;.1,13.28,;.59,14.74,;2.1,15.05,;3.12,13.9,;2.63,12.44,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
COc1cc(ccc1NC(=O)C(C)(C)Cc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:24.25,wD:27.32,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;-1.88,11.31,;-.38,11.74,;.72,10.64,;1.13,12.12,;.1,13.28,;.59,14.74,;2.1,15.05,;3.12,13.9,;2.63,12.44,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
COc1cc(ccc1NC(=O)CC(C)(C)c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:24.25,wD:27.32,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.72,10.64,;.72,9.1,;2.25,10.43,;1.13,12.12,;.1,13.28,;.59,14.74,;2.1,15.05,;3.12,13.9,;2.63,12.44,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
COc1cc(ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:23.25,13.15,wD:26.32,11.11,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;-1.28,11.7,;.24,11.41,;1.69,11.93,;2,13.43,;3.46,13.92,;4.61,12.89,;4.3,11.38,;2.84,10.9,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
COc1cc(ccc1NC(=O)c1cc2ccccc2o1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:23.25,wD:26.32,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.65,10.85,;.52,12.38,;1.57,13.51,;1.12,14.98,;-.38,15.33,;-1.43,14.2,;-.98,12.73,;-1.78,11.41,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(NCc3cc4ccccc4[nH]3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.77,10.25,;.65,10.85,;.52,12.38,;1.57,13.51,;1.12,14.98,;-.38,15.33,;-1.43,14.2,;-.98,12.73,;-1.78,11.41,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|
Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccccc2)cc1
Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccccc2C)cc1
Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccc(C)cc2)cc1
COc1ccccc1NC(=O)Nc1ccc(cc1)-c1c(C)sc2ncnc(N)c12
COc1cccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)c1
COc1ccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)cc1
Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccccc2F)cc1
Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(F)c2)cc1
Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccccc2Cl)cc1
Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(Br)c2)cc1
Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1
Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
COC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)c1
Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1
Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2c(CCC(N)=O)sc3ncnc(N)c23)c1
CNC(=O)CCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
CN(C)C(=O)CCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2c(CN3CCOCC3)sc3ncnc(N)c23)c1
CN1CCN(Cc2sc3ncnc(N)c3c2-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)CC1
CCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
CCCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
CC(C)c1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2c(Cc3ccccc3)sc3ncnc(N)c23)c1
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2c(Cc3cccnc3)sc3ncnc(N)c23)c1
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2c(Cc3ccncc3)sc3ncnc(N)c23)c1
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2c(CCO)sc3ncnc(N)c23)c1
COCCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2c(CCCO)sc3ncnc(N)c23)c1
CN(C)CCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1-c1ccc2nc(N)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1C#Cc1cnc(N)nc1)C(=O)Nc1cccc(c1)C(F)(F)F
Nc1ncc(cn1)C#Cc1cccc(c1)C(=O)Nc1cccc(c1)C(F)(F)F
Nc1ncc(cn1)C#Cc1ccc(F)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1C#Cc1cnc(N)nc1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Nc1ncc(cn1)C#Cc1cccc(c1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Nc1ncc(cn1)C#Cc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
COc1ccc(cc1C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F)C#Cc1cnc(N)nc1
CN(C)CCCN(C)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F
CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F
CN(C)C1CCN(CC1)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F
CN(C)[C@@H]1CCCN(C1)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F |r|
CN(C)[C@H]1CCCN(C1)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F |r|
CN[C@H]1CCCN(C1)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F |r|
N[C@H]1CCCN(C1)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F |r|
CN(C)[C@@H]1CCN(C1)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F |r|
CN(C)[C@H]1CCN(C1)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F |r|
Cc1ccc(cc1C#Cc1ccc(N)nc1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1C#Cc1cnc2nc[nH]c2c1)C(=O)Nc1cccc(c1)C(F)(F)F
CNC(=O)c1ccc(cn1)C#Cc1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1C#Cc1cnc2ccccc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1C#Cc1cnc2ccccc2n1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1Nc1ncccc1-c1ccncn1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1Nc1ncccc1-c1ccncn1)C(=O)Nc1ccccc1
Cc1ccc(cc1Nc1ncccc1-c1ccncn1)C(=O)Nc1ccc(cc1)C(F)(F)F
CN(C)CCCc1cc(NC(=O)c2ccc(C)c(Nc3ncccc3-c3ccncn3)c2)cc(c1)C(F)(F)F
COc1ccc(cc1NC(=O)c1ccc(C)c(Nc2ncccc2-c2ccncn2)c1)C(F)(F)F
Cc1ccc(cc1Nc1ncccc1-c1ccncn1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Cc1ccc(cc1Oc1ncccc1-c1ccncn1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1Oc1ncccc1-c1ccncn1)C(=O)Nc1ccc(cc1)C(F)(F)F
COc1ccc(cc1NC(=O)c1ccc(C)c(Oc2ncccc2-c2ccncn2)c1)C(F)(F)F
Cc1ccc(cc1Oc1ncccc1-c1ccncn1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Cc1ccc(cc1Oc1ncccc1-c1ccncn1)C(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F
CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F
CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cc(ccc1OC)C1CCCCC1
CNc1ncnc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cc(ccc1OC)C1CCCCC1
CNc1cc(ccn1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cc(ccc1OC)C1CCCCC1
COc1ccc(cc1NC(=O)c1ccc(C)c(Oc2ncccc2-c2ccnc3ccccc23)c1)C1CCCCC1
COc1ccc(cc1NC(=O)c1ccc(C)c(Oc2ncccc2-c2ncnc3cc(OC)c(OC)cc23)c1)C1CCCCC1
CNc1nccc(n1)-c1cccnc1Oc1cccc(c1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1F)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1Cl)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
CNc1nccc(n1)-c1cccnc1Oc1cccc(C(=O)Nc2cc(ccc2N2CCCCC2)C(F)(F)F)c1C
CNc1nccc(n1)-c1cccnc1Oc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
CNc1nccc(n1)-c1cccnc1Oc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N(C)CCCN(C)C)C(F)(F)F
CNc1ncnc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
CNc1ncnc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
CNc1ncnc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cc(ccc1N(C)CCCN(C)C)C(F)(F)F
CNc1ncnc(n1)-c1cccnc1Oc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
CNc1ncnc(n1)-c1cccnc1Oc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N(C)CCCN(C)C)C(F)(F)F
CNc1ncnc(n1)-c1cccnc1Oc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N(C)CCCN(C)C)C(C)C
CNc1ncnc(n1)-c1cccnc1Oc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N(C)CCCN(C)C)C1CC1
Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)c12
Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(Oc5ccccc5)c4)cc3)c12
Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4Cl)C(F)(F)F)cc3)c12
COc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2coc3ncnc(N)c23)c1
Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc5ccccc45)cc3)c12
Nc1ncnc2occ(-c3ccc(NC(=O)Nc4ccc5ccccc5c4)cc3)c12
COc1cc(Nc2ncnc(n2)-c2cccnc2Nc2ccccc2)cc(OC)c1OC
c1ccc(cc1)Oc2ccc(cc2)NC(=O)c3cccnc3NCc4ccncc4
COc1cc(Nc2ncnc(n2)-c2cccnc2Nc2cccc(c2)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc(OC)c1OC
CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@@H]5CCCN5C)c4)nc3c2)ccn1 |r|
Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)cc2[nH]1
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)cc2[nH]1
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4Cl)C(F)(F)F)cc3)cc2[nH]1
CCc1cccc(NC(=O)Nc2ccc(Oc3ccc4nc(NC(=O)OC)[nH]c4c3)cc2)c1
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)cc2[nH]1
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cc2[nH]1
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(F)ccc4F)cc3)cc2[nH]1
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(SC(F)(F)F)c4)cc3)cc2[nH]1
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(SC)c4)cc3)cc2[nH]1
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(N)ccc4F)cc3)cc2[nH]1
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(c4)C(O)=O)cc3)cc2[nH]1
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=S)Nc4cccc(c4)C(F)(F)F)cc3)cc2[nH]1
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Cc4cccc(c4)C(F)(F)F)cc3)cc2[nH]1
COC(=O)Nc1nc2ccc(Oc3ccc(CC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
COC(=O)Nc1nc2ccc(Oc3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)cc2[nH]1
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cn3)cc2[nH]1
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c[n+]3[O-])cc2[nH]1
CC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)nc3)cc2[nH]1
CC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
COC(=O)Nc1nc2ccc(Sc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)(=O)c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2n1C
COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)ccc2n1C
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2s1
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2o1
COC(=O)Nc1cn2cc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)ccc2n1
COC(=O)Nc1nc2nc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)ccc2[nH]1
COC(=O)Nc1nc2ncc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccc3nc(NC(=O)c4ccccc4)[nH]c3c2)cc1)C(F)(F)F
Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccc3nc(NC(=O)c4ccccc4-n4cccc4)[nH]c3c2)cc1)C(F)(F)F
Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccc3nc(NC(=O)c4ccco4)[nH]c3c2)cc1)C(F)(F)F
Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccc3nc(NC(=O)c4cccnc4)[nH]c3c2)cc1)C(F)(F)F
COCCOCC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
CN1CCN(CC(=O)Nc2nc3ccc(Oc4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4)cc3[nH]2)CC1
CN1CCN(CCNc2nc3ccc(Oc4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4)cc3[nH]2)CC1
CS(=O)(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2s1
COc1ccc(-c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)c2c(N)noc12
COc1ccc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c2c(N)noc12
COc1ccc(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c2c(N)noc12
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Cc1ccc(cc1C(=O)Nc1cnc(N)nc1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5cccc(c5)C(F)(F)F
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccc2nc(N)ncc2c1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(N)nc1
CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cn2)cc1
Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1-c1ccc2nc(N)ncc2c1
Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(N)nc1
CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)Nc4cccc(c4)C(F)(F)F)ccc3C)cn2)cc1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cncnc1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(NCCCN2CCOCC2)nc1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(NCCN2CCOCC2)nc1
CN1CCC(CC1)Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1
CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(C)=O)ccc3C)cn2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cnoc4C)ccc3C)cn2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccccc4)ccc3C)cn2)cc1
COc1ccccc1C(=O)Nc1ccc(C)c(c1)C(=O)Nc1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1
CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cc(F)cc(c4)C(F)(F)F)ccc3C)cn2)cc1
Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccc(cc3)N4CCN(CC4)C)NC(=O)c5cccc(c5C)C(F)(F)F
CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccc5OC(F)(F)Oc5c4)ccc3C)cn2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccc(cc4)C(C)(C)C)ccc3C)cn2)cc1
COc1cc(OC)cc(c1)C(=O)Nc1ccc(C)c(c1)C(=O)Nc1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1
CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccc5OC(F)(F)Oc5c4)ccc3Cl)cn2)cc1
CCc1ccc(NC(=O)c2ccc3OC(F)(F)Oc3c2)cc1C(=O)Nc1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1
CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3c(C)ccc(NC(=O)c4cccc(c4)C(F)(F)F)c3C)cn2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3c(Cl)cccc3Cl)cn2)cc1
CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc2c(Nc3cccc(c3)C(F)(F)F)nccc2c1Nc1ncccc1-c1ccncn1
Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ccncn1
CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc(Cl)cc3)nccc12
CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc(cc3)C#N)nccc12
CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3cccc(c3)C#C)nccc12
CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc4sc(C)nc4c3)nccc12
CNc1ncc2cc(ccc2n1)-c1c(C)ccc2c(Nc3ccc(Cl)cc3)nccc12
CNc1ncc2cc(ccc2n1)-c1c(C)ccc2c(Nc3cc(nn3C)C(C)(C)C)nccc12
CNc1ncc2cc(ccc2n1)-c1c(C)ccc2c(Nc3ccc4c(NC(=O)C4(C)C)c3)nccc12
Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ncnc2nc[nH]c12
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(F)c(F)c1 |c:1|
CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1cccc(OCc2ccccc2)c1 |c:1|
CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1cccs1 |c:1|
CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccsc1 |c:1|
CCC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccoc1 |c:2|
CCC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(OCc2ccccc2)cc1 |c:2|
CC1=C(CC(O)=O)c2cc(Cl)ccc2\C1=C/c1ccoc1 |c:1|
CC1=C(CC(O)=O)c2cc(Br)ccc2\C1=C/c1ccccc1 |c:1|
CC1=C(CC(O)=O)c2ccc(Br)cc2\C1=C/c1ccsc1 |c:1|
CC1=C(CC(O)=O)c2ccc(Br)cc2\C1=C\c1ccsc1 |c:1|
CC1=C(CC(O)=O)c2ccc(Br)cc2\C1=C/c1ccoc1 |c:1|
CC1=C(CC(O)=O)c2cc(I)ccc2\C1=C/c1cccc(OCc2ccccc2)c1 |c:1|
CCC1=C(CC(O)=O)c2cc(\C=C\C(=O)OC(C)(C)C)ccc2\C1=C/c1ccsc1 |c:2|
CCC1=C(CC(O)=O)c2cc(ccc2\C1=C/c1ccsc1)C#Cc1ccccc1 |c:2|
CC(C)Nc1nc(nc2ccc(cc12)C#CCO)-c1ccco1
CC(C)Nc1nc(nc2ccc(C=CC(C)(C)O)cc12)-c1ccco1
OCC=Cc1ccc2ncnc(Nc3cccc(F)c3)c2c1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(Sc2ccc(F)cc2)c1=O
CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1
c1c(cc(c(c1F)COc2c(c(sn2)NC(=O)NCCCCN3CCCC3)C(=O)N)F)Br
Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|
C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1
NS(=O)(=O)c1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
CCNc1nccc(n1)-c1c(ncn1C1CCN(C)CC1)-c1ccc(F)cc1
CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)c1
CCOC(=O)N1CCC(CC1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1
Nc1nccc(n1)-c1c(ncn1C1CCN(CC(F)(F)F)CC1)-c1ccc(F)cc1
Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1
CNc1nccc(n1)-c1c(ncn1C1CCN(C)CC1)-c1ccc(F)cc1
CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCN(CC2)C(C)=O)n1)-c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1
CNc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc3CCN(C)Cc3c2)n1)-c1cccc(NS(=O)(=O)c2ccccc2)c1
CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1
Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nn2ncccc2c1-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
CCc1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCN(CC2)C(C)=O)n1)-c1cccc(c1)N(C)S(=O)(=O)c1ccccc1
COc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
Cc1cc(nc(N)n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
CSc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
COc1cc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc(OC)c1OC
Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nn2ncccc2c1-c1ccnc(Nc2cccnc2)n1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
COc1ccc2cc(ccc2c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1C)[S@@+](C)[O-] |r|
COc1ccc2cc(ccc2c1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1C)[S@+](C)[O-] |r|
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)cc1C
Cc1cc(c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC)Nc5[nH]c6ccccc6n5
CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(cc3)-c3nc4ccc(F)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(F)c3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Oc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc(ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12)-c1nc2ccccc2s1
COc1cc2c(Nc3ccc(cc3)-c3nc4cc(Cl)ccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(cc3)-c3nc4cc(ccc4s3)C(F)(F)F)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Oc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCCC1
COc1cc2c(Oc3ccc(cc3F)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(cc3F)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1ccc(Br)cc1NC(=O)Nc1cccc(c1)-c1cn2ccnc2c(NCc2ccncc2)n1
COc1ccc(cc1NC(=O)Nc1cccc(c1)-c1cn2ccnc2c(NCc2ccncc2)n1)C(F)(F)F
Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1cn2ccnc2c(NCc2ccncc2)n1)C(F)(F)F
N(c1ccc(Oc2ccccc2)cc1)c1ncnc2ccccc12
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1O
Nc1ncnc2n(cc(-c3cccc(Oc4ccccc4)c3)c12)C1CCCC1
CC(C)(C)n1cc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC(O)C(O)C1
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1
CC(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
CC(C)(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Nc1ncnc2n(cc(-c3ccccc3Oc3ccccc3)c12)C1CCCC1
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1
COc1ccc(Oc2ccc(cc2)-c2cn(c3ncnc(N)c23)C(C)(C)C)cc1
CC(C)(C)n1cc(-c2ccc(Oc3ccc(N)cc3)cc2)c2c(N)ncnc12
NCc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C1CCCC1
CC(C)n1cc(-c2ccc(Oc3ccc(CO)cc3)cc2)c2c(N)ncnc12
Nc1ncnc2n(C3CCCC3)c(Cl)c(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncnc2n(C3CCCC3)c(CN3CCOCC3)c(-c3ccc(Oc4ccccc4)cc3)c12
COc1ccccc1Oc1ccc(cc1)-c1cn(C2CCCC2)c2ncnc(N)c12
Cc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C1CCCC1
CC(C)n1cc(-c2ccc(Oc3ccc(cc3)C(O)=O)cc2)c2c(N)ncnc12
Nc1ncnc2n(C3CCCC3)c(Br)c(-c3ccc(Oc4ccccc4)cc3)c12
CC(O)c1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C1CCCC1
COCc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C1CCCC1
Nc1ncnc2n(C3CCCC3)c(C#N)c(-c3ccc(Oc4ccccc4)cc3)c12
CC(C)n1cc(-c2ccc(Oc3ccccc3[N+]([O-])=O)cc2)c2c(N)ncnc12
Nc1ncnc2n(C3CCCC3)c(C(O)=O)c(-c3ccc(Oc4ccccc4)cc3)c12
CC(C)(C)n1cc(-c2ccc(Oc3cccc(N)c3)cc2)c2c(N)ncnc12
Nc1ncnc2n(C3CCCC3)c(CO)c(-c3ccc(Oc4ccccc4)cc3)c12
CC(C)n1cc(-c2ccc(Oc3ccccc3CO)cc2)c2c(N)ncnc12
CC(C)n1cc(-c2ccc(Oc3ccc(cc3)C#N)cc2)c2c(N)ncnc12
CC(C)(C)n1cc(-c2ccc(Oc3ccc(O)cc3)cc2)c2c(N)ncnc12
CC(C)n1cc(-c2ccc(Oc3ccccc3C#N)cc2)c2c(N)ncnc12
CC(C)n1cc(-c2ccc(Oc3ccccc3N)cc2)c2c(N)ncnc12
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4O)cc3)c12)C1CCCC1
NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C1CCCC1
CC(C)n1cc(-c2ccc(Oc3ccccc3C(O)=O)cc2)c2c(N)ncnc12
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCOCC1
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CNOC1
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CC[C@@H](CC1)N1CCCCC1 |wU:23.26,wD:26.33,(.15,4.38,;.15,2.84,;-1.21,2.08,;-1.21,.55,;.12,-.23,;1.45,.54,;2.92,.06,;3.83,1.3,;2.92,2.54,;3.41,4.01,;4.93,4.31,;5.4,5.78,;4.37,6.92,;4.86,8.38,;6.38,8.69,;6.84,10.16,;8.34,10.46,;9.39,9.32,;8.9,7.86,;7.38,7.54,;2.88,6.62,;2.39,5.15,;1.48,2.08,;3.39,-1.41,;4.88,-1.73,;5.35,-3.2,;4.32,-4.35,;2.83,-4.02,;2.36,-2.55,;4.79,-5.81,;6.31,-6.12,;6.77,-7.59,;5.75,-8.73,;4.23,-8.41,;3.76,-6.94,)|
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCNCC1
NCCn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |wU:7.7,10.14,(2.19,-10.22,;1.73,-8.75,;2.75,-7.59,;2.29,-6.14,;.77,-5.83,;-.26,-6.95,;.21,-8.41,;.3,-4.36,;-1.21,-4.04,;-1.67,-2.57,;-.63,-1.42,;.86,-1.75,;1.33,-3.22,;-1.1,.05,;-.19,1.28,;-1.1,2.52,;-.61,4.01,;-1.63,5.13,;-1.16,6.58,;.35,6.92,;.84,8.36,;2.34,8.68,;2.81,10.15,;4.32,10.44,;5.35,9.29,;4.88,7.84,;3.36,7.52,;1.38,5.76,;.89,4.29,;-2.56,2.05,;-3.89,2.82,;-3.89,4.36,;-5.22,2.05,;-5.23,.54,;-3.9,-.26,;-2.57,.51,)|
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCOC1
Nc1ncnc2n(CCO)cc(-c3ccc(Oc4ccccc4)cc3)c12
CC(=O)C(Nc1c(O)cc(O)c(O)c1CC1CCCC2CCCCC12)C(O)=O
CC(O)C(Nc1cc(O)c(NC(C(C)=O)C(O)=O)cc1O)C(O)=O
COC1=CC(=O)C=C(Cc2ccccc2)C1=O |t:2,6|
COC1=CC(=O)C=C(\C=C2/CCCC3CCCCC23)C1=O |t:2,6|
CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
COc1cc(ccc1NC(=O)c1cc2ccccc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |wU:23.25,wD:26.32,(1.45,-1.92,;1.52,-3.48,;2.9,-4.2,;2.97,-5.74,;4.32,-6.46,;5.63,-5.64,;5.57,-4.09,;4.21,-3.37,;4.2,-1.83,;5.51,-1.03,;6.86,-1.8,;5.49,.51,;6.63,1.55,;5.98,2.93,;6.61,4.35,;5.7,5.59,;4.18,5.43,;3.55,4.03,;4.46,2.77,;4.16,1.25,;4.39,-8,;5.62,-8.89,;5.14,-10.36,;6.09,-11.55,;7.63,-11.32,;8.58,-12.52,;8.02,-13.95,;6.49,-14.19,;5.53,-12.99,;8.99,-15.14,;10.5,-14.91,;11.47,-16.1,;10.91,-17.54,;11.88,-18.76,;9.38,-17.78,;8.43,-16.58,;3.61,-10.36,;2.57,-11.5,;1.08,-11.17,;.61,-9.71,;1.64,-8.57,;1.17,-7.1,;3.13,-8.89,)|
COc1cc(ccc1NCc1ccco1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |wU:18.19,wD:21.26,(1.27,4.51,;1.34,2.96,;2.73,2.24,;2.78,.71,;4.15,-.01,;5.44,.81,;5.39,2.35,;4.04,3.08,;4.02,4.61,;5.34,5.4,;6.69,4.65,;8.02,5.45,;9.17,4.42,;8.56,3.02,;7.04,3.15,;4.2,-1.55,;5.44,-2.46,;4.96,-3.92,;5.92,-5.11,;7.44,-4.88,;8.4,-6.07,;7.84,-7.5,;6.32,-7.75,;5.35,-6.53,;8.79,-8.7,;8.24,-10.12,;9.21,-11.33,;10.73,-11.09,;11.68,-12.31,;11.29,-9.66,;10.33,-8.46,;3.43,-3.92,;2.4,-5.04,;.91,-4.72,;.43,-3.27,;1.45,-2.13,;.99,-.65,;2.96,-2.46,)|
COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |wU:24.26,wD:27.33,(1.55,-1.69,;1.62,-3.24,;3.01,-3.96,;3.06,-5.49,;4.43,-6.21,;5.72,-5.39,;5.67,-3.86,;4.32,-3.13,;4.3,-1.59,;5.62,-.8,;6.97,-1.55,;5.6,.74,;6.72,1.79,;6.09,3.17,;6.72,4.59,;5.81,5.83,;4.29,5.68,;3.66,4.26,;4.56,3.01,;4.25,1.49,;2.85,.85,;4.49,-7.75,;5.72,-8.66,;5.25,-10.12,;6.2,-11.32,;7.73,-11.09,;8.68,-12.27,;8.12,-13.71,;6.6,-13.95,;5.63,-12.74,;9.08,-14.91,;10.61,-14.67,;11.57,-15.87,;11.02,-17.3,;11.97,-18.52,;9.49,-17.54,;8.52,-16.33,;3.72,-10.12,;2.68,-11.25,;1.19,-10.92,;.71,-9.48,;1.73,-8.33,;1.27,-6.86,;3.24,-8.66,)|
c1ccc(c(c1)[C@H]2c3c[nH]nc3NC4=C2C(=O)CNC4)F
CC(C)(Nc1nc(NO)nc(Nc2ccc3ncsc3c2)n1)c1ccccc1
CC(C)(Nc1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1)c1ccccc1
CC(C)N(Cc1ccccc1)c1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1
CCN(Cc1ccccc1)c1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6C[C@H](C)O[C@H](C)C6)cc5)n[nH]c4c3)c2c1 |r|
CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N
Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
CN1CCN(Cc2ccc3Cc4c(n[nH]c4-c4ccsc4)-c3c2)CC1
C(c1ccc2Cc3c(n[nH]c3-c3ccsc3)-c2c1)n1ccnc1
CN(Cc1ccc(s1)-c1[nH]nc-2c1Cc1ccc(CN3CCN(C)CC3)cc-21)C(=O)Nc1cccc(c1)C(F)(F)F
COc1ccc(NC(=O)Nc2ccc3n(CC(C)C)c4c5CCc6nn(C)cc6-c5c5C(=O)NCc5c4c3c2)cc1
CCCn1c2ccc(NC(=O)Nc3ccccc3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCCn1c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCCn1c2ccc(NC(=O)Oc3ccc(OC)cc3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCCn1c2ccc(NC(=O)N(C)c3ccccc3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCn1c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCCn1c2ccc(NC(=O)c3ccco3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCCn1c2ccc(NC(=O)Oc3ccc(F)cc3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCCn1c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCCn1c2ccc(NC(=O)c3cccs3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CC(C)Cn1c2ccc(NC(=O)c3ccco3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCCn1c2ccc(N)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCCCn1c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCCn1c2ccc(NC(=O)Nc3ccccc3Br)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CC(C)Cn1c2ccc(N)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCCn1c2ccc(NC(=O)Nc3cccc(F)c3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCCn1c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCCn1c2ccc(NC(=O)Nc3cccs3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCCn1c2ccc(NC(=O)Nc3ccc(F)cc3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCCn1c2ccc(NC(=O)Nc3ccc(SC)cc3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCCn1c2ccc(NC(=O)Nc3ccc(C)cc3)cc2c2c3CNC(=O)c3c3CC=C(Cc3c12)C=N |c:33|
CCCn1c2ccc(NC(=O)Nc3ccccc3Cl)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
COc1cccc(NC(=O)Nc2ccc3n(CC(C)C)c4c5CCc6nn(C)cc6-c5c5C(=O)NCc5c4c3c2)c1
CCCn1c2ccc(NC(=O)Nc3ccc(cc3)N(C)C)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCCn1c2ccc(NC(=O)Nc3ccccc3F)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
COc1ccccc1NC(=O)Nc1ccc2n(CC(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
CCCn1c2ccc(NC(=O)Nc3cc(ccc3F)C(F)(F)F)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CC(C)Cn1c2ccc(NC(=O)c3cccs3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCCn1c2ccc(NC(=O)OC(C)C)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCCOC(=O)Nc1ccc2n(CCC)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
CCCn1c2ccc(NC(=O)OCC)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCCCn1c2ccc(N)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
Nc1ncc(-c2ccccc2)c2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2scc(-c3ccc(F)c(Cl)c3)c12
Nc1ncc(-c2cccc(Cl)c2)c2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN[C@@H]3CC[C@H](N)CC3)cnc(N)c12 |wU:30.32,33.36,(28.87,-24.7,;27.4,-24.22,;26.26,-25.25,;24.79,-24.77,;23.65,-25.8,;23.98,-27.31,;25.43,-27.78,;26.58,-26.75,;28.03,-27.23,;28.36,-28.73,;27.21,-29.77,;29.82,-29.21,;30.29,-30.69,;31.84,-30.68,;32.87,-31.82,;34.38,-31.5,;34.86,-30.04,;33.82,-28.89,;32.32,-29.21,;31.08,-28.3,;31.08,-26.76,;22.18,-25.32,;20.94,-26.24,;19.69,-25.33,;20.17,-23.87,;19.4,-22.55,;17.86,-22.55,;17.09,-21.22,;15.55,-21.23,;14.78,-19.89,;15.54,-18.56,;17.09,-18.56,;17.85,-17.23,;17.09,-15.9,;17.86,-14.57,;15.55,-15.9,;14.78,-17.23,;20.16,-21.22,;21.7,-21.22,;22.47,-22.55,;24.01,-22.55,;21.7,-23.87,)|
COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC3CCNCC3)cnc(N)c12
CCN(CC)C\C=C\c1cnc(N)c2c(csc12)-c1ccc(NC(=O)c2cc3ccccc3n2C)c(OC)c1
COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN3CCC(O)CC3)cnc(N)c12
COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN[C@H]3CC[C@H](N)CC3)cnc(N)c12 |wU:30.32,wD:33.36,(5.61,-23.77,;4.15,-23.29,;3.01,-24.32,;1.54,-23.84,;.4,-24.87,;.73,-26.38,;2.18,-26.85,;3.33,-25.82,;4.78,-26.3,;5.1,-27.8,;3.96,-28.84,;6.57,-28.28,;7.04,-29.76,;8.59,-29.75,;9.62,-30.9,;11.13,-30.57,;11.61,-29.11,;10.57,-27.96,;9.07,-28.28,;7.83,-27.37,;7.83,-25.83,;-1.07,-24.39,;-2.31,-25.31,;-3.56,-24.4,;-3.08,-22.94,;-3.85,-21.62,;-5.39,-21.62,;-6.16,-20.29,;-7.7,-20.3,;-8.47,-18.96,;-7.71,-17.63,;-8.47,-16.3,;-7.7,-14.97,;-6.16,-14.97,;-5.39,-13.64,;-5.4,-16.3,;-6.16,-17.63,;-3.09,-20.3,;-1.55,-20.29,;-.79,-21.62,;.75,-21.62,;-1.55,-22.94,)|
CCOc1cccc2n(C)cc(C=c3c(=O)[nH][nH]\c3=c3/snnc3=C)c12 |w:12.11|
CC(C)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1
C(CN1CCNCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1
CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cccc(c1)C(C)C
CNc1nccc(n1)-c1cccnc1Oc1cc(NC(=O)c2cccc(c2)C(C)C)ccc1C
CNc1ncnc(n1)-c1cccnc1Oc1cc(NC(=O)c2cccc(c2)C(C)C)ccc1C
CNc1ncnc(n1)-c1cccnc1Oc1cc(NC(=O)c2cccc(c2)-n2cccc2)ccc1C
CNc1ncnc(n1)-c1cccnc1Oc1cc(NC(=O)c2cccc(OC(F)(F)C(F)F)c2)ccc1C
CNc1cc(ccn1)-c1cccnc1Oc1cc(NC(=O)c2cccc(OC(F)(F)C(F)F)c2)ccc1C
CNc1cc(ccn1)-c1cccnc1Oc1cc(NC(=O)c2cccc(c2)C(C)C)ccc1C
CNc1cc(ccn1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cccc(c1)C(C)C
CNc1ncnc(n1)-c1cccnc1Oc1cc(NC(=O)c2cccc(OC(F)(F)F)c2)ccc1C
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1ccncn1
CNc1ncnc(n1)-c1cccnc1Oc1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
CNc1cc(ccn1)-c1cccnc1Oc1ccc(Cl)c(NC(=O)c2cccc(c2)C(C)C)c1
CNc1ncnc(n1)-c1cccnc1Oc1cc(NC(=O)c2cccc(c2)C(C)C)ccc1F
CNc1ncnc(n1)-c1cccnc1Oc1cccc(NC(=O)c2cccc(c2)C(C)C)c1
CNc1ncnc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cccc(c1)C(C)C
CNc1cc(ccn1)-c1cccnc1Oc1cccc(NC(=O)c2cccc(c2)C(C)C)c1
CNc1ncnc(n1)-c1cccnc1Oc1cc(NC(=O)c2cccc(c2)C(C)C)cc(c1)C(F)(F)F
COCCOCC(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1
COCC(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1
CCOC(=O)CC(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1
COC(=O)C(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1
CN1CCN(CC(=O)Nc2cccc-3c2Cc2c-3n[nH]c2-c2csc(c2)C#CCOc2ccccc2)CC1
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1)S(C)=O
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2cc(ccc2c1)-c1ccccc1)-c1ccncc1
Cc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1)S(C)=O
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
COc1ccc2cc(ccc2c1)-c1nc(-c2ccc(cc2)S(C)=O)n(C)c1-c1ccncc1
CCn1c(nc(c1-c1ccc2cc(OC)ccc2c1)-c1ccncc1)-c1ccc(cc1)S(C)=O
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2ccccc2c1)-c1ccncc1
CCCn1c(nc(c1-c1ccc2cc(OC)ccc2c1)-c1ccncc1)-c1ccc(cc1)S(C)=O
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2cc(Br)ccc2c1)-c1ccncc1
COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2)S(C)=O)n1C)-c1ccncc1
COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2)S(C)=O)n1CC(C)C)-c1ccncc1
COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1C(F)(F)F
COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1Cl
COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1F
COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(SC)cc2C)n1C)-c1ccncc1
COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1C(C)C
COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1C)S(C)(=O)=O
COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1Cl)S(C)=O
COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1
COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(SC)cc1C
COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1C
CCc1ccccc1-c1nc(c([nH]1)-c1ccc2cc(OC)ccc2c1)-c1ccncc1
COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1Cl)S(C)(=O)=O
COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1c(Cl)cccc1Cl
COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1)S(C)(=O)=O
COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(SC)cc1Cl
COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1C)S(C)=O
COc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1Br
COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)(=O)=O)n1C)-c1ccncc1
CCN(CC)CCOc1ccc(Nc2cc(NC(=O)Nc3c(Cl)cccc3Cl)ncn2)cc1
CCO\N=C(/C)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
CO\N=C\c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
CCO\N=C(/C)c1ccc2n(C(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4[nH]c32)n1
CO\N=C(/C)c1ccc2n(C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
C\C(=N/OC(C)(C)C)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
CCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(\C)=N\OC
CCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(\C)=N\OCC(C)C
CC(N=O)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
CC(C)CO\N=C(/C)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(\C)=N\OC(C)C
CC(C)O\N=C(/C)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
CCO\N=C\c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
CC(C)CO\N=C(/C)c1ccc2n(CC(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
CO\N=C(/C)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
CO\N=C(/C)c1ccc2n(C(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
CCO\N=C(/C(C)C)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
CO\N=C(/C)c1ccc2n(CC(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
CC(C)CO\N=C(/C)c1ccc2n(C(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
CO\N=C(/C(C)C)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
CC(C)O\N=C(/C)c1ccc2n(C(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
CCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(\C)=N\OC
CCCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(\C)=N\OC
COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2c(F)cccc2C(F)(F)F)cc1
CCO\N=C(/C)c1ccc2n(CC(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
Nc1ncnc2n(CC(=O)c3c[nH]c4ccccc34)cnc12
Nc1ncnc2ncn(CC(=O)c3c[nH]c4ccccc34)c12
COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCc2ccccc2)c2ccccc12 |t:13|
COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COc2ccccc2)c2ccccc12 |t:13|
COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COC(C)(C)C)c2ccccc12 |t:13|
COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COC(C)C)c2ccccc12 |t:13|
CCOCn1cc(C2=C(C(=O)NC2)c2cc(OC)c(OC)c(OC)c2)c2ccccc12 |t:7|
COCn1cc(C2=C(C(=O)NC2)c2cc(OC)c(OC)c(OC)c2)c2ccccc12 |t:6|
COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCC[Si](C)(C)C)c2ccccc12 |t:13|
COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1)c1c[nH]c2ccccc12 |t:13|
COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1c[nH]c2ccccc12 |t:13|
COc1ccc(cc1)C1=C(C(=O)NC1)c1cn(C)c2ccccc12 |t:9|
COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(CC(O)CO)c2ccccc12 |t:13|
COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(CC2COC(C)(C)O2)c2ccccc12 |t:13|
Cn1cnc(c1\C=C\c1ccnc(N)n1)-c1ccccc1
Nc1nccc(C=Cc2[nH]cnc2-c2ccccc2)n1 |w:7.7|
Nc1nccc(\C=C\c2c(nc3sccn23)-c2ccccc2)n1
Cn1cnc(c1C#Cc1ccnc(N)n1)-c1ccccc1
Cn1cnc(c1C1CC1c1ccnc(N)n1)-c1ccccc1
Cn1cnc(c1NCCc1ccnc(N)n1)-c1ccccc1
Cn1cnc(c1CNc1ccnc(N)n1)-c1ccccc1
Cn1cnc(c1NC(=O)c1ccnc(N)n1)-c1ccccc1
Cn1cnc(c1C(=O)Nc1ccnc(N)n1)-c1ccccc1
Cn1cnc(c1Nc1ccnc(N)n1)-c1ccccc1
Nc1nccc(\C=C\c2c(ncn2Cc2ccccc2)-c2ccccc2)n1
Nc1nccc(\C=C\c2c(ncn2CCN2CCCC2)-c2ccccc2)n1
Nc1nccc(\C=C\c2c(ncn2CC(O)=O)-c2ccccc2)n1
Cn1cnc(\C=C\c2ccnc(N)n2)c1-c1ccccc1
Nc1nccc(\C=C\c2ccsc2-c2ccccc2)n1
Nc1nccc(\C=C\c2c(nc3SCCn23)-c2ccccc2)n1
Nc1nccc(\C=C\c2c(nc3ccccn23)-c2ccccc2)n1
Nc1nccc(\C=C\c2sccc2-c2ccccc2)n1
Nc1nccc(C=Cc2[nH]ncc2-c2ccccc2)n1 |w:7.7|
Cn1c(c(\C=C\c2ccnc(N)n2)c2ccccc12)-c1ccccc1
Nc1cc(\C=C\c2c(nc3sccn23)-c2ccccc2)ncn1
Nc1ccnc(\C=C\c2c(nc3sccn23)-c2ccccc2)n1
C(=C/c1ccncn1)\c1c(nc2sccn12)-c1ccccc1
Clc1nccc(\C=C\c2c(nc3sccn23)-c2ccccc2)n1
CC(C)(C)C(=O)Nc1nccc(\C=C\c2c(nc3sccn23)-c2ccccc2)n1
CC(=O)Nc1nccc(\C=C\c2c(nc3sccn23)-c2ccccc2)n1
N(c1ccccc1)c1nccc(\C=C\c2c(nc3sccn23)-c2ccccc2)n1
CC(Nc1nccc(\C=C\c2c(nc3sccn23)-c2ccccc2)n1)c1ccccc1
CNc1nccc(\C=C\c2c(nc3sccn23)-c2ccccc2)n1
Nc1nccc(\C=C\c2c(Cl)nc3sccn23)n1
Cc1nc2sccn2c1\C=C\c1ccnc(N)n1
Nc1nccc(\C=C\c2c(nc3sccn23)-c2ccc(F)cc2)n1
COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC
c1cc(cc(c1)Nc2c3ccc(c(c3on2)C(=O)Nc4cncnc4)Cl)C(F)(F)F
Fc1ccc(cc1)-c1nn2ccccc2c1-c1ccncc1
CCOc1ccccc1Oc1nc(Nc2ccc(cc2)N2CCNCC2)ncc1C(=O)Nc1c(C)cccc1C
COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc12
COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)c(F)c3)nc12
N=C(Nc1ccccc1)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:17|
Cc1cc(ccc1Oc2c(cccn2)c3ccnc(n3)NC)NC(=O)Nc4cccc(c4)C(F)(F)F
CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)cc1C
CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C(F)(F)F)cc1C
CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3s2)c2ccccc12
CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3o2)c2ccccc12
CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3n2C)c2ccccc12
CNc1nccc(n1)c2cccnc2Oc3ccc(c4c3cccc4)Nc5[nH]c6cc(ccc6n5)C(F)(F)F
CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3c(C)cccc3[nH]2)c2ccccc12
CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)c2ccccc12
CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c(C)c1C
CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c(C)c1
CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)cc1
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
COc1cc(Nc2ncnc3nc[nH]c23)ccc1-c1nc2ccccc2s1
N(c1cccc(c1)-c1nc2ccccc2s1)c1ncnc2[nH]ccc12
Fc1cc(ccc1Nc1ncnc2cc(Cl)ccc12)-c1nc2ccccc2s1
COc1nc(Nc2ccc(cc2)-c2nc3ccccc3s2)c2cc[nH]c2n1
COc1cc(Nc2ncnc3[nH]ccc23)ccc1-c1nc2ccccc2s1
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC
Clc1ccc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ccnc2c1
COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3cccc(c3)-c3nc4ccccc4s3)c2cc1OC
Clc1cc(Nc2ncnc3ccsc23)ccc1-c1nc2ccccc2s1
Fc1cc(ccc1Nc1ncnc2ccsc12)-c1nc2ccccc2s1
Oc1ccc(NC(=S)NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1-c1nc2ccccc2s1
COc1nc(Nc2ccc(-c3nc4ccccc4s3)c(OC)c2)c2cc[nH]c2n1
N(c1ccc(cc1)-c1nc2ccccc2s1)c1ncnc2[nH]ccc12
Cc1cc(Nc2ccnc(Nc3cccc(c3)-c3nc4ccccc4s3)n2)[nH]n1
COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3ccc(cc3)-c3nc4ccccc4s3)c2cc1OC
CNc1nc(Nc2ccc(cc2)-c2nc3ccccc3s2)c2cc(OC)c(OC)cc2n1
Cc1cc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1Cl
Clc1ccc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2c1
COc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1-c1nc2ccccc2s1
COc1cc(Nc2ncnc3ccsc23)ccc1-c1nc2ccccc2s1
N(c1ccc(cc1)-c1nc2ccccc2s1)c1ncnc2ccsc12
COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC
COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC
CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21
Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
CNCCOc1ccc(cc1)-c1sc2nc(nc(NN3C(=O)C=C(C)C3=O)c2c1C)-c1cccs1
c1cc(ccc1NC(=O)C2(CC2)C(=O)Nc3cc(c(cc3F)Oc4ccnc(c4)NC(=O)C5CC5)F)F
COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F
Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
COc1cc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(cc3C)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(cc3O)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(cc3OC(F)(F)F)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(C)c3)ncnc2cc1OCCCN1CCN(C)CC1
COc1ccc2nc(sc2c1)-c1ccc(Nc2ncnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)cc1
COc1cc2c(Nc3ccc(cc3)-c3nc4ccc(Cl)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Nc3ccc(cc3F)-c3nc4ccc(Cl)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1
COc1cc2ncnc(Nc3ccc(cc3)-c3nc4ccccc4s3)c2cc1OCCCN1CCN(C)CC1
COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OCCCN1CCN(C)CC1
COc1cc2ncnc(Nc3ccc(cc3O)-c3nc4ccccc4s3)c2cc1OCCCN1CCN(C)CC1
COc1cc(ccc1Nc1ncnc2cc(OC)c(OCCCN3CCN(C)CC3)cc12)-c1nc2ccccc2s1
COc1cc2ncnc(Nc3ccc(cc3F)-c3nc4ccccc4s3)c2cc1OCCCN1CCN(C)CC1
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)c2cc1OCCCN1CCN(C)CC1
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)c2cc1OCCCN1CCN(C)CC1
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(F)c3)c2cc1OCCCN1CCN(C)CC1
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)c2cc1OCCCN1CCN(C)CC1
COc1cc2ncnc(Nc3ccc(cc3)-c3nc4cc(Cl)ccc4s3)c2cc1OCCCN1CCN(C)CC1
COc1cc2ncnc(Nc3ccc(cc3)-c3nc4cc(ccc4s3)C(F)(F)F)c2cc1OCCCN1CCN(C)CC1
COc1cc(ccc1-c1nc2ccccc2s1)N(C)c1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(I)cc12 |t:13|
COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(Br)cc12 |t:13|
COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(F)cc12 |t:13|
Cn1cnc(c1-c1cc2c(N)ncnc2s1)-c1ccccc1
Cc1ccc(Sc2cccc(c2)-c2ncn(C)c2-c2cc3c(N)ncnc3s2)cc1
Cn1cnc(c1-c1cc2c(N)ncnc2s1)-c1cccc(NC(=O)Nc2ccccc2)c1
Cn1cnc(c1-c1cc2c(N)ncnc2s1)-c1cccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)c1
Cc1cc(NC(=O)Nc2cccc(c2)-c2ncn(C)c2-c2cc3c(N)ncnc3s2)on1
Cn1cnc(c1-c1nc2c(N)ncnc2s1)-c1ccccc1
CCn1cnc(c1-c1nc2c(N)ncnc2s1)-c1ccccc1
Nc1ncnc2sc(nc12)-c1c(ncn1CC1CCCCC1)-c1ccccc1
CC(C)Cn1cnc(c1-c1nc2c(N)ncnc2s1)-c1ccccc1
Nc1ncnc2sc(nc12)-c1c(ncn1C[C@H]1CCCO1)-c1ccccc1 |r|
Nc1ncnc2sc(nc12)-c1c(ncn1Cc1ccccc1N1CCOCC1)-c1ccccc1
FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c4cc(ccc4[nH]c32)C2CCCCO2)n1
Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c4cc(ccc4n(C)c32)C2CCCCO2)n1
CCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1
CCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1
CC(C)n1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1
CCCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1
CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1
CC(C)CCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1
CCCCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1
Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c4cc(ccc4n(C4CCCC4)c32)C2CCCCO2)n1
Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c4cc(ccc4n(C4CCCCC4)c32)C2CCCCO2)n1
Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c4cc(ccc4n(CC4CCCCC4)c32)C2CCCCO2)n1
Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c4cc(ccc4n(CC=C)c32)C2CCCCO2)n1
CCOCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1
Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c3n(CCO)c3ccc(cc23)C2CCCCO2)n1
Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c3n(CCCO)c3ccc(cc23)C2CCCCO2)n1
CCN(CC)CCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1
Cn1ncc-2c1CCc1c-2c2C(=O)NCc2c2c3cc(ccc3[nH]c12)C1CCCCO1
Cn1ncc-2c1CCc1c-2c2C(=O)NCc2c2c3cc(ccc3n(C)c12)C1CCCCO1
CCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cnn(C)c4CCc3c12)C1CCCCO1
CCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cnn(C)c4CCc3c12)C1CCCCO1
CC(C)n1c2ccc(cc2c2c3CNC(=O)c3c3-c4cnn(C)c4CCc3c12)C1CCCCO1
CCCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cnn(C)c4CCc3c12)C1CCCCO1
CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cnn(C)c4CCc3c12)C1CCCCO1
Cn1ncc-2c1CCc1c-2c2C(=O)NCc2c2c3cc(ccc3n(C3CCCC3)c12)C1CCCCO1
Cn1ncc-2c1CCc1c-2c2C(=O)NCc2c2c1n(CCO)c1ccc(cc21)C1CCCCO1
CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)NC(C)(C)C)c2ccccc12
CCNC(=O)Nc1ccc(Oc2ncccc2-c2ccnc(NC)n2)c2ccccc12
CCN1CCC(CNc2nccc(n2)-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)CC1
CN1CCCC1CCNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
CN(C)CC(C)(C)CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12
CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccncc3[nH]2)c2ccccc12
CC(C)COC(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1ccc(cc1)N1CCN(C)CC1
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
Cn1ccc2c1c(ncn2)Oc3ccc(c(c3)F)NC(=O)Nc4cccc(c4)C(F)(F)F
CN1C[C@@H]2C[C@H]1CN2c1cc(F)c(c(F)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |r,wU:3.3,5.4,(24.13,-33.61,;24.13,-35.15,;22.8,-35.94,;22.81,-37.47,;23.89,-36.37,;25.47,-35.92,;25.48,-37.46,;24.14,-38.23,;24.15,-39.77,;22.82,-40.55,;22.83,-42.09,;21.5,-42.86,;24.16,-42.85,;25.5,-42.07,;26.83,-42.84,;25.49,-40.53,;24.17,-44.38,;22.84,-45.15,;22.84,-46.7,;24.17,-47.47,;25.51,-46.7,;26.98,-47.18,;27.89,-45.92,;26.98,-44.67,;25.51,-45.15,;29.43,-45.92,;30.2,-47.26,;31.74,-47.26,;32.51,-45.92,;31.73,-44.58,;30.2,-44.59,;27.46,-48.64,;28.96,-48.96,;29.44,-50.42,;28.41,-51.57,;26.9,-51.25,;25.65,-52.15,;24.41,-51.24,;24.9,-49.78,;26.43,-49.79,)|
COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
c1cc(c(cc1[N+](=O)[O-])Cl)NC(=O)c2cc(ccc2O)Cl
COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC
C(COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1)CN1CCCCC1
CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
CNC(=O)c1ncc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(CCO)CC3)c(c2)C(F)(F)F)n1C
Cc1ccc(cc1N2C=NC(=C(C2=O)Cl)OCc3ccc(cc3F)F)C(=O)NCCO
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1
Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)c12
Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)c(F)c4)cc3)c12
Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4cc(Br)ccc4OC(F)(F)F)cc3)c12
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2cc(OC(F)(F)F)ccc2Br)cc1
Nc1n[nH]c2cccc(-c3cccc(NC(=O)C4(CC4)C(=O)Nc4cc(Br)ccc4OC(F)(F)F)c3)c12
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(OC(F)(F)F)cc4Br)cc3)c12
Nc1n[nH]c2cccc(-c3cccc(NC(=O)C4(CC4)C(=O)Nc4ccc(Cl)cc4Cl)c3)c12
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2ccc3OCOc3c2)cc1
Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc5OCOc5c4)cc3)c12
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2Br)cc1
Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4cc(Br)cc(c4)C(F)(F)F)cc3)c12
Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(Br)cc4OC(F)(F)F)cc3)c12
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2cc(Br)ccc2OC(F)(F)F)cc1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1
Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(Cl)c(Cl)c4)cc3)c12
Nc1n[nH]c2cccc(-c3cccc(NC(=O)C4(CC4)C(=O)Nc4ccc(Cl)c(Cl)c4)c3)c12
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2ccc(Br)cc2OC(F)(F)F)cc1
Nc1n[nH]c2cccc(-c3cccc(NC(=O)C4(CC4)C(=O)Nc4cc(Br)cc(c4)C(F)(F)F)c3)c12
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2ccc(F)c(F)c2)cc1
Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(Cl)cc4Cl)cc3)c12
Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4cc(OC(F)(F)F)ccc4Br)cc3)c12
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2cc(Br)cc(c2)C(F)(F)F)cc1
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
CC(C)(CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)O
CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C
CN1CCC(COc2ccc3c(Nc4ccc(NC(=O)Nc5cccc(F)c5)cc4)ncnc3c2)CC1
Nc1nc(Nc2ccc(cc2)[C@H]2CC[C@@H](CC2)N2CCOCC2)nn1-c1ccccn1 |r,wU:11.11,wD:14.18,(-9.05,.18,;-7.58,.64,;-7.09,2.1,;-5.55,2.08,;-4.8,3.43,;-3.26,3.44,;-2.48,2.12,;-.94,2.14,;-.18,3.48,;-.98,4.81,;-2.52,4.79,;1.35,3.5,;2.1,4.85,;3.65,4.86,;4.44,3.53,;3.68,2.19,;2.14,2.18,;5.97,3.55,;6.75,2.22,;8.29,2.23,;9.05,3.57,;8.27,4.9,;6.73,4.89,;-5.09,.62,;-6.35,-.28,;-6.36,-1.81,;-5.04,-2.59,;-5.05,-4.13,;-6.39,-4.89,;-7.72,-4.11,;-7.71,-2.57,)|
CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O
COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1
Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Nc1nc(NCCNc2ncc(c(n2)-c2ccc(Cl)cc2Cl)-n2ccnc2)ccc1[N+]([O-])=O
Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(n2)-c2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O
Cc1c[nH]c(n1)c2cnc(nc2c3ccc(cc3Cl)Cl)NCCNc4ccc(cn4)C#N
CCN(CC)CCCC(C)Nc1nc(\C=C\c2c(Cl)cc(Cl)cc2Cl)nc2ccc(N)cc12
O=C(Nc1cccc(c1)-c1cncc2ccccc12)c1ccccc1NCc1ccncc1
Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
c1ccc(c(c1)C(=O)Nc2cccc(c2)C(F)(F)F)NCc3ccncc3
C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
COc1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1C(=O)Nc1cc(ccc1C)C(=O)Nc1cccc(c1F)C(F)(F)F
COc1nc(NCCN2CCOCC2)ncc1C(=O)Nc1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
CNc1ncc(C(=O)Nc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)c(Oc2ccccc2)n1
CNc1ncc(C(=O)Nc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)c(OC)n1
CNc1ncc(C(=O)Nc2cc(ccc2C)C(=O)Nc2cccc(c2F)C(F)(F)F)c(NC)n1
COc1nc(NCCCCN(C)C)ncc1C(=O)Nc1cc(ccc1C)C(=O)Nc1cccc(c1C)C(F)(F)F
COc1nc(NCCCN2CCN(C)CC2)ncc1C(=O)Nc1cc(ccc1C)C(=O)Nc1cccc(c1C)C(F)(F)F
COc1nc(NC2CCN(C)CC2)ncc1C(=O)Nc1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1NC(=O)c1cnc(NCCN2CCOCC2)nc1Oc1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F
CNc1ncc(C(=O)Nc2cc(ccc2C)C(=O)Nc2cccc(c2C)C(F)(F)F)c(OC)n1
CNc1ncc(C(=O)Nc2cc(ccc2C)C(=O)Nc2cccc(c2F)C(F)(F)F)c(OC)n1
Cc1cccc(c1N2c3nc4ccccc4n3-c5c(cnc(n5)Nc6ccc(cc6)N7CCN(CC7)C)C2=O)C
CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(=O)c1ccco1
CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(=O)c1ccsc1
CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(=O)c1sccc1C
CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(=O)c1sccc1Br
CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(=O)c1sccc1Cl
CC(C)n1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(=O)c1cccs1
CCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(=O)c1cccs1
CCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(=O)c1cccs1
CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(C)=O
CC(C)n1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(C)=O
CC(=O)c1ccc2n(C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
CC(C)Cn1c2ccccc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCCn1c2ccccc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CC(C)OCc1ccc2n(CCCOC(=O)CN(C)C)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
CC(=O)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
CCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(C)=O
CCCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(C)=O
CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(=O)c1ccoc1
CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(=O)c1cc(C)cs1
CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(=O)c1cccs1
Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c4cc(ccc4[nH]c32)C(=O)c2cccs2)n1
CCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(C)=O
CCn1c2ccccc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CN1CCc2[nH]c(=S)c(C#N)c(-c3cccs3)c2C1
COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3ccccc3)c2cc1OC
COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1C(N)=O
CNC(=O)c1cc(Oc2ccc3N(CCOc3c2)C(=O)Nc2ccc(Cl)cc2)ccn1
Clc1ccc(NC(=O)N2CCOc3cc(Oc4ncnc5[nH]ccc45)ccc23)cc1
COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3ccc(C)cc3)c2cc1C(N)=O
COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)N[C@H](C)c3ccccc3)c2cc1OC
COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)N[C@@H](C)c3ccccc3)c2cc1OC
COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)NCc3ccc(C)cc3)c2cc1OC
COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)NCc3ccccc3)c2cc1OC
COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)NC(C)C)c2cc1OC
CCNC(=O)N1CCOc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
CNC(=O)N1CCOc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(N)=O)c2cc1OC
COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3ccc(F)cc3)c2cc1OC
COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)OCCN4C(=O)Nc5ccc(cc5)Cl
COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3cccc(Cl)c3)c2cc1OC
COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3ccccc3Cl)c2cc1OC
COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3ccc(C)cc3)c2cc1OC
COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3cccc(C)c3)c2cc1OC
COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3ccccc3C)c2cc1OC
CNC(=O)c1cc(Oc2ccc3N(CCOc3c2)C(=O)Nc2ccc(C)cc2)ccn1
Cc1ccc(NC(=O)N2CCOc3cc(Oc4ncnc5[nH]ccc45)ccc23)cc1
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3(C)CC3)c2cc1OC
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CCC3)c2cc1OC
COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)NC5CC5
COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)Nc5ccc(cc5)Cl
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1C(N)=O
COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(cc34)C(N)=O)ccc12
COc1ccc2c(Oc3ccc4c(cccc4c3)C(N)=O)ccnc2c1
COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)ccc34)ccc12
COc1ccc2c(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)ccnc2c1
COCCNC(=O)c1cccc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
COc1cc2ncnc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1OC
COCCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NCC(F)(F)F)c2cc1OC
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC(C)C)c2cc1OC
CCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
CCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NCC3CC3)c2cc1OC
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1C(N)=O
COc1cc2ncnc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC(C)(C)C)c2cc1OC
CNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CCCC3)c2cc1OC
CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
CC(C)n1c2ccc(Nc3ccncc3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CC(C)Cn1c2ccc(Nc3nccc(n3)C(F)(F)F)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CC(C)Cn1c2ccc(Nc3nc(C)cc(C)n3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
COc1ccnc(Nc2ccc3n(CC(C)C)c4c5CCc6nn(C)cc6-c5c5C(=O)NCc5c4c3c2)n1
CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cnn(C)c4CCc3c12
CC(C)n1c2ccc(Nc3cccnn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCCn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CCc1cnc(Nc2ccc3n(CC(C)C)c4c5CCc6nn(C)cc6-c5c5C(=O)NCc5c4c3c2)nc1
CCCn1c2ccc(Nc3ncc(CC)cn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CC(C)n1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CN(C)C(=O)C(CCN1CCC(CC1)(c2ccc(cc2)Cl)O)(c3ccccc3)c4ccccc4
OC(=O)COCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O |r|
OC(=O)[C@@H](Cc1ccccc1F)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1
CC1=C(C(=O)N(N1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC
CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
CC(C)(C#N)Oc1cccc(c1Cl)C(=O)Nc2cc(ccc2F)N(C)c3ccc4c(n3)sc(n4)NC(=O)C5CC5
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nccn3n2)c1
FC(F)(F)Oc1ccc(NC(=O)Nc2ccc(cc2)-c2ccc(NC(=O)C=C)nc2)cc1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(Br)cc(c2)C(F)(F)F)cc1
CC(C)(C)c1ccc(NC(=O)Nc2ccc(cc2)-c2ccc(NC(=O)C=C)nc2)cc1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(Br)ccc2OC(F)(F)F)cc1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2ccc(F)c(F)c2)cc1
CC(C)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(NC(=O)C=C)nc2)c1
Fc1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(NC(=O)C=C)nc2)c1
FC(F)(F)c1cc(NC(=O)Nc2cccc(c2)-c2ccc3c(c2)nc[nH]c3=O)cc(c1)C(F)(F)F
Cc1ccc(NC(=O)Nc2ccc(cc2)-c2ccc(NC(=O)C=C)nc2)cc1Cl
FC(F)(F)c1cc(NC(=O)Nc2cccc(c2)-c2ccc3c(c2)nc[nH]c3=O)ccc1Cl
FC(F)(F)c1cc(NC(=O)Nc2ccc(cc2)-c2ccc(NC(=O)C=C)nc2)ccc1Cl
Fc1ccc(NC(=O)Nc2ccc(cc2)-c2ccc(NC(=O)C=C)nc2)cc1
FC(F)(F)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(NC(=O)C=C)nc2)c1
Clc1ccccc1NC(=O)Nc1ccc(cc1)-c1ccc(NC(=O)C=C)nc1
Clc1cccc(NC(=O)Nc2cccc(c2)-c2ccc3c(c2)nc[nH]c3=O)c1
Fc1ccc(NC(=O)Nc2cccc(c2)-c2ccc3c(c2)nc[nH]c3=O)cc1F
Clc1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(NC(=O)C=C)nc2)c1
Cc1cccc(C)c1NC(=O)Nc1ccc(cc1)-c1ccc(NC(=O)C=C)nc1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2Br)cc1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(OC(F)(F)F)ccc2Br)cc1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2ccc(Cl)cc2Cl)cc1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2ccc(OCCCN3CCOCC3)c(F)c2)cc1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2ccc3OCOc3c2)cc1
FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2ccc3c(c2)nc[nH]c3=O)c1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2ccc(Br)cc2OC(F)(F)F)cc1
Fc1cccc(NC(=O)C2(CCC2)C(=O)Nc2ccc(cc2)-c2ccc3c(c2)[nH]cnc3=O)c1
Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4cc(Br)ccc4OC(F)(F)F)cc3)c12
Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4ccc(Cl)c(Cl)c4)cc3)c12
Fc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)cc1
FC(F)(F)c1cccc(NC(=O)C2(CCC2)C(=O)Nc2ccc(cc2)-c2ccc3c(c2)[nH]cnc3=O)c1
Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4cc(OC(F)(F)F)ccc4Br)cc3)c12
Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4ccc(Cl)cc4Cl)cc3)c12
Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4ccc(F)c(F)c4)cc3)c12
FC(F)(F)c1cc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)ccc1Cl
Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)cc1Cl
CC(C)(C)c1ccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)cc1
Clc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccc(NC(=O)C=C)n1
Cc1cc(Br)ccc1NC(=O)C1(CCC1)C(=O)Nc1ccc(cc1)-c1ccc2c(c1)[nH]cnc2=O
CC(C)c1cccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)c1
Clc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)c1
FC(F)(F)Oc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)cc1
Clc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)c(Cl)c1
FC(F)(F)c1cccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)c1
Fc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)c(F)c1
Fc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccc(NC(=O)C=C)n1
Fc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)c1
Cc1cccc(C)c1NC(=O)Nc1ccc(cc1)-c1cccc(NC(=O)C=C)n1
O=C(Nc1ccc(cc1)-c1ccc2c(c1)[nH]cnc2=O)C1(CCC1)C(=O)Nc1cccc(c1)C#C
FC(F)(F)c1cc(NC(=O)C2(CCC2)C(=O)Nc2ccc(cc2)-c2ccc3c(c2)[nH]cnc3=O)ccc1Cl
FC(F)(F)c1cc(NC(=O)C2(CCC2)C(=O)Nc2ccc(cc2)-c2ccc3c(c2)[nH]cnc3=O)cc(c1)C(F)(F)F
Cc1ccc(NC(=O)C2(CCC2)C(=O)Nc2ccc(cc2)-c2ccc3c(c2)[nH]cnc3=O)cc1Cl
O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12
O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
C(CN1CCCC1)Oc1ccc(cc1)-c1[nH]c2ncnc(NCC3SCCS3)c2c1-c1ccccc1
Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO
CC(C)c1ccc(cc1C#Cc2cnc3n2ccnc3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CN5CCN(CC5)C
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12
COc1cc(O)c(C(O)=O)c(c1)C1=C(C)C[C@@H](O)C1=O |r,wD:16.17,c:13,(10.48,-22.79,;11.26,-21.46,;10.49,-20.12,;11.26,-18.8,;10.49,-17.47,;11.26,-16.14,;8.97,-17.47,;8.2,-16.14,;8.96,-14.8,;6.65,-16.13,;8.21,-18.79,;8.97,-20.12,;6.66,-18.79,;5.76,-17.54,;4.98,-16.2,;4.29,-18.01,;4.29,-19.55,;3.04,-20.45,;5.75,-20.03,;6.22,-21.5,)|
COc1cc2c(C(=O)OC22C(C)CC(=O)C2=O)c(O)c1
Cc1cc(O)c(O)cc1-c1cc(O)cc(O)c1C(O)=O
COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
COc1cc(O)c2c(c1)-c1cc(O)c(O)cc1COC2=O
Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
[H][C@]12[C@@H](O)CC(=O)c3c(O)ccc(-c4ccc(O)c5C(=O)CC[C@]1(O)c45)c23 |r|
COc1cc(O)c(C(O)=O)c(c1)-c1cc(O)c(O)cc1C
Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12
COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1-c1c(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2cc1OC |r,wU:18.19,11.11,13.13,wD:16.16,t:9,(-6.62,-6.52,;-5.29,-5.75,;-3.96,-6.52,;-3.96,-8.06,;-2.63,-8.83,;-2.63,-10.37,;-1.3,-8.07,;.04,-8.83,;.05,-10.37,;1.38,-8.06,;1.38,-6.5,;2.72,-5.72,;2.71,-4.19,;4.06,-6.5,;4.82,-5.16,;5.38,-7.27,;4.07,-8.06,;5.4,-8.82,;2.72,-8.83,;2.72,-10.37,;.03,-5.73,;.02,-4.19,;-1.3,-6.52,;-2.63,-5.75,;-2.6,-3.5,;-1.27,-2.73,;.06,-3.5,;-1.26,-1.19,;.06,-.41,;1.4,-1.16,;.05,1.13,;1.37,1.91,;1.36,3.45,;2.68,4.23,;.01,4.21,;-.01,5.74,;-1.31,3.42,;-1.29,1.89,;-2.62,1.11,;-3.96,1.87,;-2.6,-.43,;-3.93,-1.19,;-3.93,-2.74,;-5.26,-3.5,;-6.59,-2.73,)|
COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1 |r,t:9|
COc1cc(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2c1
COc1cc(O)c2C(=O)c3c(O)c(O)c(C)cc3C(=O)c2c1
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
COc1ccc(cn1)-c1ccc(Cn2cc(nn2)-c2ccc(cc2)C(F)(F)F)cc1
COc1ccc(cn1)-c1ccc(Cn2cc(nn2)-c2cccc(Cl)c2)cc1
COc1ccc(cn1)-c1ccc(Cn2cc(nn2)-c2ccccc2)cc1
Clc1cccc(c1)-c1cn(Cc2ccc(cc2)-c2cccnc2)nn1
Fc1ccccc1-c1cn(Cc2ccc(cc2)-c2cccnc2)nn1
C(c1ccc(cc1)-c1cccnc1)n1cc(nn1)-c1ccccc1
Cc1cccc(c1)-c1cn(Cc2ccc(cc2)-c2cccnc2)nn1
Nc1cccc(c1)-c1cn(Cc2ccc(cc2)-c2cccnc2)nn1
FC(F)(F)c1ccc(cc1)-c1cn(Cc2ccc(cc2)-c2cccnc2)nn1
COc1ccc(cn1)-c1ccc(Cn2cc(nn2)-c2cccc(N)c2)cc1
COc1ccc(cn1)-c1ccc(Cn2cc(nn2)-c2cccc(C)c2)cc1
COc1ccc(cn1)-c1ccc(Cn2cc(nn2)-c2ccc(C)cc2)cc1
Cc1ccc(cc1)-c1cn(Cc2ccc(cc2)-c2cccnc2)nn1
COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Cc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3csc4c(N)ncnc34)c12
Cn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)nccc12
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
CCOC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(cc3)C#N)n2)cc1
Fc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)N2CCOCC2)n1
Cc1cccc(c1)-c1cn(Cc2ccc(cc2)-c2cn[nH]c2)nn1
Fc1ccccc1-c1cn(Cc2ccc(cc2)-c2cncnc2)nn1
C(c1ccc(cc1)-c1cncnc1)n1cc(nn1)-c1ccccc1
FC(F)(F)c1ccc(cc1)-c1cn(Cc2ccc(cc2)-c2cncnc2)nn1
O=C(Nc1cccc(c1)-c1cn(Cc2ccc(cc2)-c2cncnc2)nn1)C1CC1
Fc1ccccc1-c1cn(Cc2ccc(cc2)-c2cn[nH]c2)nn1
Cn1cc(cn1)-c1ccc(Cn2cc(nn2)-c2ccccc2F)cc1
Cn1cc(cn1)-c1ccc(Cn2cc(nn2)-c2ccccc2)cc1
Cc1cccc(c1)-c1cn(Cc2ccc(cc2)-c2cnn(C)c2)nn1
Cn1cc(cn1)-c1ccc(Cn2cc(nn2)-c2ccc(cc2)C(F)(F)F)cc1
Cn1cc(cn1)-c1ccc(Cn2cc(nn2)-c2cccc(N)c2)cc1
Cc1ccc(cc1)-c1cn(Cc2ccc(cc2)-c2cncnc2)nn1
FC(F)(F)c1ccc(cc1)-c1cn(Cc2ccc(cc2)-c2cn[nH]c2)nn1
Nc1cccc(c1)-c1cn(Cc2ccc(cc2)-c2cncnc2)nn1
Cn1cc(cn1)-c1ccc(Cn2cc(nn2)-c2cccc(NC(=O)C3CC3)c2)cc1
Cc1cccc(c1)-c1cn(Cc2ccc(cc2)-c2cncnc2)nn1
Nc1cccc(c1)-c1cn(Cc2ccc(cc2)-c2cn[nH]c2)nn1
Cc1ccc(cc1)-c1cn(Cc2ccc(cc2)-c2cnn(C)c2)nn1
Cn1cc(cn1)-c1ccc(Cn2cc(nn2)-c2cccc(c2)C(F)(F)F)cc1
COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
Nc1nc2[nH]c(CN3CCN(CC3)c3cc(Cl)cc(Cl)c3)c(CN3CCN(CC3)c3cc(Cl)cc(Cl)c3)c2c(=O)[nH]1
CCCCCCCC(=O)Nc1nc2[nH]c(CN3CCN(Cc4ccc(F)cc4)CC3)c(CN3CCN(Cc4ccc(F)cc4)CC3)c2c(=O)[nH]1
CCCCCCCC(=O)Nc1nc2[nH]c(CN3CCN(Cc4cccc(F)c4)CC3)c(CN3CCN(Cc4cccc(F)c4)CC3)c2c(=O)[nH]1
CCCCCCCC(=O)Nc1nc2[nH]c(CN3CCN(Cc4ccccc4F)CC3)c(CN3CCN(Cc4ccccc4F)CC3)c2c(=O)[nH]1
CCCCCCCC(=O)Nc1nc2[nH]c(CN3CCN(Cc4ccccc4)CC3)c(CN3CCN(Cc4ccccc4)CC3)c2c(=O)[nH]1
CC(C)(O)COc1ccc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccccc6)c(=O)c45)cc3F)ccnc2c1
CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
COc1cc2c(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCCCC4)cc3F)ccnc2cc1OCCCN1CCOCC1
CNc1ncc2cc(-c3ccc(cc3Cl)-c3ncccc3F)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:29.31,wD:26.27,(3.85,-1.33,;3.08,,;1.54,,;.77,-1.33,;-.77,-1.33,;-1.54,,;-3.08,,;-3.85,1.33,;-5.39,1.33,;-6.16,2.67,;-7.7,2.67,;-8.47,1.33,;-7.7,,;-6.16,,;-5.39,-1.33,;-10.01,1.33,;-10.78,2.67,;-12.32,2.67,;-13.09,1.33,;-12.32,,;-10.78,,;-10.01,-1.33,;-3.08,2.67,;-3.85,4,;-1.54,2.67,;-.77,4,;.77,4,;1.54,2.67,;3.08,2.67,;3.85,4,;5.39,4,;3.08,5.33,;1.54,5.33,;-.77,1.33,;.77,1.33,)|
CN1CCNC(=O)CCCCOc2cc(C#Cc3cnc4ccc1nn34)c(C)c(c2)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1
CCN1CCN(Cc2ccc(NC(=O)Nc3nc4ccc(Oc5ccnc(c5)C(=O)NC)cc4s3)cc2C(F)(F)F)CC1
C[C@@H]1CCN(C[C@@H]1n1ccc2cnc3[nH]ccc3c12)C(=O)CC#N |r|
C[C@@H]1CCN(C[C@@H]1n1ccc2cnc3[nH]cc(C#N)c3c12)C(=O)CC#N |r|
c1ccc2c(c1)c(c(nn2)C(=O)N)N
COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cc(F)ccc4C(F)(F)F)cc3)ccc2[nH]1
Cc1c2cc(cc1C(=O)Nc3cc(cc(c3)C4CC4)CN5CCN(CC5)C)OCCCCCCCNC(=O)c6ccc7ncc(n7n6)C#C2
O=C(Nc1ccc(-c2ccc3c(=O)[nH]cnc3c2)cc1)Nc1ccc(F)c(F)c1
Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F
Cc1[nH]c(/C=C2/C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1
[H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|
Cc1cc(C)c(cc1NC(=O)c1cc(cc(c1)S(F)(F)(F)(F)F)C#N)-n1ccn2nc(cc12)-c1cccnc1
COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC
C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)|
C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O
CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC