LogS	SMILES	Reference
-4.35	Brc1cccc2ccccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.33	Oc1c(Br)cc(cc1Br)C#N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.98	Brc1cc(Br)c(Br)cc1Br	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.09	COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.92	CON(C)C(=O)Nc1ccc(Br)c(Cl)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.5	Brc1ccc(Br)c(Br)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.04	Brc1cccc(Br)c1Br	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.5	Brc1ccccc1Br	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.23	Cc1ccccc1Br	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.19	Clc1ccccc1Br	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.7	Fc1ccccc1Br	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.4	Brc1ccc2ccccc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.6	Brc1cc(Br)cc(Br)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.54	Brc1cccc(Br)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.52	Cc1cccc(Br)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.21	Clc1cccc(Br)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.67	Fc1cccc(Br)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.07	Brc1ccc(Br)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.45	O[C@H](C[C@H](C1=C(O)c2ccccc2OC1=O)c3ccccc3)c4ccc(cc4)c5ccc(Br)cc5	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.19	Cc1ccc(Br)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.63	Clc1ccc(Br)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.93	CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c2ccc(Br)cc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.08	CC(=O)Nc1ccc(Br)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.09	Oc1ccc(Br)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.55	Brc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.3	BrC1CCCCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.12	NC1=C(Br)C(=O)N(N=C1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.52	CC[C@@H](C)N1C(=O)NC(=C(Br)C1=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.14	BrC(Br)(Br)Br	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.65	CC[C@@H](C)C1(CC(=C)Br)C(=O)NC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.68	CCC(Br)(CC)C(=O)NC(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.4	CC1(C)[C@H](C=C(Br)Br)[C@H]1C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.28	COP(=O)(OC)O[C@H](Br)C(Cl)(Cl)Br	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.17	BrCBr	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.68	BrCCBr	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.08	BrCCCBr	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.06	CCCCCCCCBr	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.43	CCCCCCCBr	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.81	CCCCCCBr	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.07	CCCCCBr	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.37	CCCCBr	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.85	ClCCCBr	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.73	CCCBr	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.89	CC(C)CCBr	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.32	ClCCBr	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.09	CCBr	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.5	BrCC=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.43	CC(C)CBr	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.89	ClCBr	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.79	CBr	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.91	BrC(Br)Br	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.9	ClC(Br)Br	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.38	ClC[C@@H](Br)CBr	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.15	C[C@@H](Br)CBr	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.59	CC(C)Br	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.71	FC(F)(F)[C@H](Cl)Br	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.54	ClC(Cl)Br	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.32	Br\C=C\Br	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.32	Br\C=C\Br	J. Chem. Inf. Model. 2007, 47, 1395-1404
-9.33	c1cc2ccc3ccc4ccc5ccc6ccc1c7c6c5c4c3c27	J. Chem. Inf. Model. 2007, 47, 1395-1404
-9.03	c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.8	c1ccc2c(c1)c3cccc4ccc5cccc2c5c34	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.19	c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.19	c1cc2ccc3cccc4ccc(c1)c2c34	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.87	c1ccc2c(c1)ccc3c2ccc4c5ccccc5ccc34	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.23	c1ccc2c(c1)c3cccc4c5ccccc5cc2c34	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.66	c1ccc2c(c1)ccc3cc4c(ccc5ccccc45)cc23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.26	c1ccc2c(c1)ccc3ccccc23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8	c1ccc2c3c(ccc2c1)c4cccc5cccc3c45	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.8	c1cc2cccc3c4cccc5cccc(c(c1)c23)c45	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.49	c1ccc2cc3c(cc2c1)c4cccc5cccc3c45	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6	c1ccc2c(c1)c3cccc4cccc2c34	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.74	c1ccc2c3ccccc3c4ccccc4c2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.06	c1ccc2c(c1)ccc3c4ccccc4ccc23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.6	c1ccc2cc3cc4ccccc4cc3cc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.35	c1ccc2cc3ccccc3cc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.6	c1ccc2ccccc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.48	C[C@@H]1CCC(C)(C)C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.11	c1ccc(cc1)c2ccc(cc2)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.31	c1ccc(cc1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.82	C=Cc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.68	C1c2ccccc2c3ccc4ccccc4c13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.04	C1c2ccccc2c3cc4ccccc4cc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.22	Cc1cccc2c1Cc3ccccc23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.91	C1c2ccccc2c3ccccc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.96	C1Cc2ccc3CCCc4ccc(C1)c2c34	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.92	Cc1ccc2c(ccc3c4CCc5cccc(cc23)c45)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.92	Cc1ccc2cc3c(ccc4ccccc34)c5CCc1c25	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.85	C1Cc2c3ccc4ccccc4c3cc5cccc1c25	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.63	C1Cc2cccc3cccc1c23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.04	C1Cc2ccccc2C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.37	C1CCc2ccccc2C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.64	C1CCCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.1	C1CCCCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.52	C1CCCCCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.15	C1CCCCCCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.27	CC1=CCCCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.59	C1CCC=CC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.18	C1CCC=CCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.1	C1CC=CC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.97	C1C=CCC=C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.15	C1C=CC=CC=C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.15	C1C=CC=CC=C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.08	CCCCCC1CCCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.74	CCCC1CCCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.3	CC1CCCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.25	CCC1CCCCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.85	CC1CCCCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.47	CC1CCC(C)CC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4	CC(=C)[C@@H]1CCC(=CC1)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.19	C1CCC2CCCCC2C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.27	C[C@@H]1CCCC[C@H]1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.64	c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.96	C1=Cc2cccc3cccc1c23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.15	CC(C)(C)Cc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.36	CCCC(C)(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.05	CC(C)CCC(C)(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.23	CCC(C)(C)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.15	CCC(C)(C)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.55	CCC(C)(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.74	CC(C)CC(C)(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.66	CC(C)(C)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.36	CC(C)C(C)(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.17	C(c1ccccc1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.4	C=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.62	C(Cc1ccccc1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.37	CCCc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.03	CCCC(=C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.64	CCCC#C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.64	CCCCCc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.01	CCCCCC#C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.24	CCCCCCCC#C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.33	CCCCCCCCCCCCCCCCCCCCCCCCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.17	CCCCCCCCCCCCCCCCCCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.4	CCCCCCCCCCCCCCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.96	CCCCCCCCCCCCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.88	CCCCCCCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.51	CCCCCCCCC=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.24	CCCCCCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.05	CCCCCCCC=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.21	CCCCCCc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.66	CCCCCCC#C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.53	CCCCCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.44	CCCCCCC=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.84	CCCCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.73	CCCCCC=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.06	CCCCc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.36	CCCCC#C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.18	CCCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.23	CCCCC=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.82	CCCC\C=C/C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.82	CCCC\C=C/C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.57	CCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.68	CCCC=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.68	C=CCCC=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.17	CCc1cccc2ccccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.28	CCc1ccccc1CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.21	CCc1ccccc1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.89	CCc1ccc2cc3ccccc3cc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.29	CCc1ccc2ccccc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.75	CCc1ccc(CC)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.11	CCc1ccc(C)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.77	CCc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.99	CCC#CCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.24	CCC#C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.73	CCC(=C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.94	CCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.94	CCC=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.54	CC\C=C\C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.54	CC\C=C\C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.09	C=CCC=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.02	Cc1c2ccccc2c(C)c3c1ccc4ccccc34	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.57	Cc1cc2c3ccccc3ccc2c4ccccc14	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.01	Cc1c(C)c2c3ccccc3ccc2c4ccccc14	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.59	Cc1cc2ccccc2c3ccc4ccccc4c13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.85	Cc1cccc2c1ccc3ccccc23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.57	Cc1c2ccccc2c(C)c3ccccc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.92	Cc1ccc(C)c2c(C)cccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.14	Cc1ccc(C)c2ccccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.74	Cc1cccc2c(C)cccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.89	Cc1c2ccccc2cc3ccccc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.29	Cc1cc(C)c2ccccc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.7	Cc1cccc2ccccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.23	Cc1c(C)c(C)c(C)c(C)c1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4	Cc1cc(C)c(C)c(C)c1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.72	Cc1cc2ccccc2cc1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.59	Cc1cc(C)c(C)cc1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.31	Cc1ccc(C)c(C)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.2	Cc1cccc(C)c1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.8	Cc1ccccc1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.84	Cc1ccc2c(ccc3ccccc23)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.96	Cc1ccc2cc3ccccc3cc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.89	Cc1ccc2cc(C)ccc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.77	Cc1ccc2ccccc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.4	Cc1cc(C)cc(C)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.82	Cc1cccc(C)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.62	Cc1ccc(cc1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.77	Cc1ccc(C)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.21	Cc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.41	CC#C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.4	CC(=C)C(=C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.33	CC(=C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.03	CC(=C)C=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.56	CC=C(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.36	CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.08	CC=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.9	C	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.29	C#C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.12	CC(C)Cc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.08	CCCCCC(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.16	CCCC[C@H](C)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.74	CCCC(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.68	CCC(C)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.89	CC[C@@H](C)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.18	CCC(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.87	C=CC=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.24	CC(C)CC=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.26	CC(C)CC(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.76	CC(C)c1ccccc1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.77	CC(C)c1ccc(C)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.27	CC(C)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.55	CC(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.73	CC(C)C=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.28	CC[C@@H](C)C(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.65	CC(C)C(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.8	CC(C)C(C)C(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.26	ClC1(Cl)C2(Cl)[C@]3(Cl)C4(Cl)C(=O)C5(Cl)[C@@](Cl)(C1(Cl)[C@]35Cl)[C@@]24Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.8	ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C(Cl)(C1(Cl)C35Cl)C24Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.61	COC1=CC(=O)C[C@@H](C)[C@@]12Oc3c(Cl)c(OC)cc(OC)c3C2=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.88	CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.52	CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@@]2(O)C(=O)C(=C1O)C(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.93	Clc1cccc2ccccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.61	OC(=O)CN1C(=O)Sc2cccc(Cl)c12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.29	ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@H]4C[C@H]([C@H]5O[C@@H]45)[C@H]3[C@]1(Cl)C2(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.29	Cl[C@@H]1[C@@H]2O[C@@H]2[C@@H]3[C@H]1[C@]4(Cl)C(=C(Cl)[C@@]3(Cl)C4(Cl)Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.33	ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@H]4C[C@H](C=C4)[C@H]3[C@]1(Cl)C2(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.86	Cl[C@@H]1C[C@H]2[C@@H]([C@H]1Cl)[C@]3(Cl)C(=C(Cl)[C@@]2(Cl)C3(Cl)Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.64	ClC1=C(Cl)[C@@]2(Cl)[C@@H]3C=CC[C@@H]3[C@]1(Cl)C2(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.32	Cl[C@H]1C=C[C@H]2[C@@H]1[C@]3(Cl)C(=C(Cl)[C@@]2(Cl)C3(Cl)Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.46	O[C@H]1C=C[C@H]2[C@@H]1[C@]3(Cl)C(=C(Cl)[C@@]2(Cl)C3(Cl)Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.43	Clc1c(Cl)c(Cl)c2nccnc2c1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.98	Clc1cc(Cl)c2nsnc2c1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-11.62	Clc1c(Cl)c(Cl)c(c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-10.26	Clc1cc(c(Cl)c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-10.41	Clc1cc(Cl)c(Cl)c(c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.92	Clc1ccc(c(Cl)c1)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.94	Clc1ccc(Cl)c(c1)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.92	Clc1c(Cl)c(Cl)c(c(Cl)c1Cl)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.28	Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.64	Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.02	COc1c(O)c(Cl)c(Cl)c(Cl)c1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.3	Clc1ccc(c(Cl)c1Cl)c2c(Cl)cc(Cl)c(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.92	Clc1cc(Cl)c(cc1Cl)c2c(Cl)cc(Cl)c(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.43	Clc1ccccc1c2c(Cl)cc(Cl)c(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.66	Clc1ccc(cc1Cl)c2c(Cl)cc(Cl)c(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.1	Oc1c(Cl)cc(Cl)c(Cl)c1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.7	COc1c(Cl)ccc(Cl)c1C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-9.16	Clc1cc(c(Cl)c(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.42	Clc1cccc(c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.39	Clc1ccc(c(Cl)c1)c2cc(Cl)c(Cl)c(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.68	Clc1ccc(Cl)c(c1)c2cc(Cl)c(Cl)c(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.21	Clc1cc(c(Cl)c(Cl)c1Cl)c2ccccc2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.82	Clc1ccc(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.16	Clc1cc(c(Cl)c(Cl)c1Cl)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.65	Clc1cc(Cl)c(Cl)c(Cl)c1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.15	Oc1cc(Cl)c(Cl)c(Cl)c1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.71	Clc1cc(Cl)c(c(Cl)c1)c2c(Cl)cc(Cl)cc2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.32	Clc1cc(Cl)c(c(Cl)c1)c2c(Cl)cccc2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.14	Clc1cc(Cl)c(c(Cl)c1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.34	Oc1c(Cl)cc(Cl)cc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.01	Clc1ccc(c(Cl)c1Cl)c2ccc(Cl)c(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.05	Clc1ccc(c(Cl)c1Cl)c2cccc(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.32	Clc1cc(Cl)c(cc1Cl)c2ccc(Cl)c(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.8	Clc1ccc(c(Cl)c1)c2ccc(Cl)c(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.91	Clc1ccc(Cl)c(c1)c2ccc(Cl)c(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.05	Clc1ccc(cc1Cl)c2ccc(Cl)c(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.57	Clc1ccc(Cl)c(Cl)c1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.67	Oc1ccc(Cl)c(Cl)c1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.8	Clc1ccc(Cl)c(c1)c2c(Cl)cccc2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.39	Clc1cccc(Cl)c1c2c(Cl)cccc2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.14	Clc1ccc(cc1)c2c(Cl)cccc2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.21	Clc1cccc(Cl)c1c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.1	OCc1c(Cl)cccc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.24	Clc1cccc(Cl)c1C#N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.79	Oc1c(Cl)cccc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.62	NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.78	C[C@H]1Nc2cc(Cl)c(cc2C(=O)N1c3ccccc3C)S(=O)(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.29	CC[C@H]1NC(=O)c2cc(c(Cl)cc2N1)S(=O)(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.05	NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-9.15	Clc1cc(Cl)c(Cl)c(c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.6	Clc1cccc(c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.42	Clc1ccc(Cl)c(c1)c2c(Cl)c(Cl)cc(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.37	Oc1c(Cl)c(Cl)cc(Cl)c1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.56	Clc1cc(Cl)c(cc1Cl)c2cc(Cl)c(Cl)cc2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.89	Clc1ccc(Cl)c(c1)c2cc(Cl)c(Cl)cc2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.39	Clc1ccc(cc1Cl)c2cc(Cl)c(Cl)cc2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.27	Clc1cc(Cl)c(cc1Cl)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.56	Clc1cc(Cl)c(Cl)cc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.52	COP(=O)(OC)O\C(=C\Cl)\c1cc(Cl)c(Cl)cc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.96	OC(=O)COc1cc(Cl)c(Cl)cc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.69	CC(C)Oc1cc(N2N=C(OC2=O)C(C)(C)C)c(Cl)cc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.21	Oc1cc(Cl)c(Cl)cc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.75	CCO[P@](=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.72	COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.18	CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.66	NS(=O)(=O)c1cc(C(=O)O)c(NCc2occc2)cc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.53	COc1cc(Cl)c(Cl)cc1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.79	Cc1cccc(C)c1NC(=O)c2cc(c(Cl)cc2O)S(=O)(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.6	Clc1cc(Cl)c(Cl)c(c1)c2cc(Cl)c(Cl)cc2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.71	Clc1cc(Cl)c(c(Cl)c1)c2cc(Cl)cc(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.8	Cc1cc(O)cc(C)c1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.63	Clc1cc(Cl)c(Cl)c(Cl)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.26	COC(=O)c1cc(Cl)cc(N)c1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.47	Nc1cc(Cl)cc(C(=O)O)c1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.67	Oc1cc(Cl)cc(Cl)c1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.45	NS(=O)(=O)c1cc(ccc1Cl)[C@@]2(O)NC(=O)c3ccccc23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7	Clc1ccc(Cl)c(c1)c2cc(Cl)ccc2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.02	Clc1ccc(Cl)c(c1)c2ccccc2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.01	Clc1cccc(c1)c2cc(Cl)ccc2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.25	Clc1ccc(cc1)c2cc(Cl)ccc2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.59	C[C@@H]1Cc2ccccc2N1NC(=O)c3ccc(Cl)c(c3)S(=O)(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.57	Cc1cc(O)ccc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.65	Clc1ccc(Cl)c(c1Cl)c2c(Cl)ccc(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.65	Clc1cc(Cl)c(cc1Cl)c2c(Cl)ccc(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.43	Clc1ccc(c(Cl)c1)c2c(Cl)ccc(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.29	Clc1ccc(Cl)c(c1Cl)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.08	OC(=O)Cc1c(Cl)ccc(Cl)c1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.64	Oc1c(Cl)ccc(Cl)c1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.8	Clc1ccc(c(Cl)c1)c2ccc(Cl)c(Cl)c2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.25	Clc1ccc(Cl)c(c1)c2ccc(Cl)c(Cl)c2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.29	Clc1ccc(cc1Cl)c2ccccc2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.92	Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.39	Clc1ccc(cc1Cl)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.51	Clc1ccc(c(Cl)c1)c2ccc(Cl)cc2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.57	Clc1ccc(c(Cl)c1)c2cc(Cl)ccc2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.21	Clc1ccc(cc1)c2ccc(Cl)cc2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.25	Clc1ccc(c(Cl)c1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.49	CCC[C@@H]1CO[C@@](Cn2cncn2)(O1)c3ccc(Cl)cc3Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.59	Clc1ccc(Cl)c(Cl)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.46	Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.67	OC(=O)CCCOc1ccc(Cl)cc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.51	OC(=O)COc1ccc(Cl)cc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.45	C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.55	Oc1ccc(Cl)cc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.82	CN1C(=O)ON(C1=O)c2ccc(Cl)c(Cl)c2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.24	Nc1ccc(Cl)c(Cl)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3	CCC(=O)Nc1ccc(Cl)c(Cl)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.77	CCCCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.46	CN(C)C(=O)Nc1ccc(C)c(Cl)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.8	CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.33	CN(C)C(=O)Nc1ccc(N2N=C(OC2=O)C(C)(C)C)c(Cl)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.56	COc1ccc(NC(=O)N(C)C)cc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.52	CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.25	Oc1ccc(Cl)c(Cl)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.28	Clc1cccc(c1Cl)c2cccc(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.21	Clc1cc(Cl)c(cc1Cl)c2cccc(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.47	Clc1ccc(Cl)c(c1)c2cccc(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.26	Clc1ccc(cc1)c2cccc(Cl)c2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4	Clc1cccc(Cl)c1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.3	Oc1cccc(Cl)c1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.27	Clc1ccccc1c2ccccc2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.28	Clc1ccc(cc1)c2ccccc2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.54	Clc1ccccc1c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.08	Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Cl)ccc4n12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.6	O[C@H]1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.36	ClC(=C(c1ccc(Cl)cc1)c2ccccc2Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.34	CC1(C)CON(Cc2ccccc2Cl)C1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.52	Cc1ccccc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.05	Clc1ccccc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.38	O[C@@](c1ccc(Cl)cc1)(c2cncnc2)c3ccccc3Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.89	OC(=O)c1ccccc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.52	Nc1ccccc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.4	CC(=O)Nc1ccccc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.16	OC(=O)COc1ccccc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.46	COc1ccccc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.22	C[C@@H](Oc1ccccc1Cl)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.06	Oc1ccccc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.18	COC(=O)[C@]1(O)c2ccccc2c3ccc(Cl)cc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.18	OC(=O)[C@]1(O)c2ccccc2c3ccc(Cl)cc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.14	Clc1ccc2ccccc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.75	CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.23	CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.36	CCN1c2cc(Cl)ccc2NC(=O)c3cccnc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.95	O[C@H]1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.83	Clc1ccc2OC(=O)Nc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.7	CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.16	OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.4	CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.01	CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.57	OC[C@@H](O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.86	CN(C)\C=N\c1ccc(Cl)cc1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.86	CN(C)\C=N\c1ccc(Cl)cc1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.23	Cc1cc(Cl)ccc1OCC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.09	COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.55	C[C@@H](Oc1ccc(Cl)cc1C)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.95	Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.48	Clc1cc(Cl)cc(Cl)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.8	C[C@@]12C[C@]1(C)C(=O)N(C2=O)c3cc(Cl)cc(Cl)c3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.38	CC(C)NC(=O)N1CC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.93	C[C@]1(OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2)C=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.34	Oc1cc(Cl)cc(Cl)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.8	Clc1cccc(c1)c2cccc(Cl)c2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.88	Clc1cccc(c1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.04	Clc1cccc(Cl)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.53	CC(C)OC(=O)[C@@](O)(c1ccc(Cl)cc1)c2cccc(Cl)c2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.59	OC(=O)c1cccc(Cl)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.37	Nc1cccc(Cl)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.62	C[C@H](OC(=O)Nc1cccc(Cl)c1)C#C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.38	CC(C)OC(=O)Nc1cccc(Cl)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.78	COc1cccc(Cl)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.22	C[C@@H](Oc1cccc(Cl)c1)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.7	Oc1cccc(Cl)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.56	Clc1ccc(cc1)c2ccc(Cl)cc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.2	Clc1ccc(cc1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.93	OC1=C(C2CCC(CC2)c3ccc(Cl)cc3)C(=O)c4ccccc4C1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.9	ClC(=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.91	Clc1ccc(CN(C2CCCC2)C(=O)Nc3ccccc3)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.08	Cc1ccc(Cl)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.84	CC(=O)C[C@H](C1=C(O)c2ccccc2OC1=O)c3ccc(Cl)cc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.27	Clc1ccc(Cl)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.53	CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.62	COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.31	OC(=O)c1ccc(Cl)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.43	COP(=S)(OC)SCC(=O)N(C(C)C)c1ccc(Cl)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.66	Nc1ccc(Cl)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.84	CC(=O)Nc1ccc(Cl)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.89	CN(C)C(=O)Nc1ccc(Cl)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.9	C[C@@H](C#C)N(C)C(=O)Nc1ccc(Cl)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.57	CON(C)C(=O)Nc1ccc(Cl)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.89	CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.29	OC(=O)COc1ccc(Cl)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.78	COc1ccc(Cl)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.61	CC(C)(C)C(=O)[C@H](Oc1ccc(Cl)cc1)n2cncn2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.7	Oc1ccc(Cl)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.74	CCOP(=S)(OCC)SCSc1ccc(Cl)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.03	CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.38	Clc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.28	ClC1=C(Cl)C(Cl)(C(=C1Cl)Cl)C2(Cl)C(=C(Cl)C(=C2Cl)Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.18	ClC1=C(Cl)C(Cl)(Cl)C(=C1Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.08	CNC(=O)O\N=C/1\[C@H](Cl)[C@H]2C[C@H](C#N)[C@@H]1C2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.51	ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.11	CCN1c2ncccc2C(=O)N(C)c3ccc(Cl)nc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.87	Clc1cnc2ncncc2n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.87	Clc1cnc2cncnc2n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.75	Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.67	CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.82	COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.58	CCOC(=O)c1ccccc1S(=O)(=O)NN(C=O)c2nc(Cl)cc(OC)n2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.41	CCN(CC)c1nc(Cl)nc(n1)N(CC)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.06	CCNc1nc(Cl)nc(n1)N(CC)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.15	CCNc1nc(Cl)nc(NC(C)(C)C#N)n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.55	CCNc1nc(Cl)nc(NCC)n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.85	CCNc1nc(Cl)nc(NC(C)C)n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.79	CCN(CC)c1nc(Cl)nc(NC(C)C)n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.43	CC(C)Nc1nc(Cl)nc(NC(C)C)n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.72	CCN(CC)C(=O)CSc1ccc(Cl)nn1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.66	CCOP(=S)(OCC)Oc1nc(Cl)n(n1)C(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.95	CC(=O)O[C@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)C(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.38	CCOP(=S)(OCC)Oc1ccc2C(=C(Cl)C(=O)Oc2c1)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.38	CCOP(=S)(OCC)Oc1ccc2OC(=O)C(=C(C)c2c1)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.87	NC1=C(Cl)C(=O)N(N=C1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.48	CC1=C(Cl)C(=O)N(C(=O)N1)C(C)(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.91	ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.88	CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.23	ClC(=CC(=C(Cl)Cl)Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.54	ClC(=C(Cl)Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.39	CCN(CC)C(=S)SCC(=C)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.51	CCC(C)(C)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.64	ClC(=C)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.29	CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCc2cccc(Oc3ccccc3)c2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.02	CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.69	C[C@H](Cl)C(C)(C)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.96	ClC=C(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.84	OC[C@@H](O)[C@@H]1O[C@@H]2O[C@@H](O[C@@H]2[C@H]1O)C(Cl)(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.76	Clc1cccc(n1)C(Cl)(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.67	ClC(Cl)(Cl)C(Cl)(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.18	ClCC(Cl)(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2	CC(Cl)(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.62	Clc1ccc(cc1)[C@H](c2ccccc2Cl)C(Cl)(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.15	Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.89	COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.6	ClC(Cl)C(Cl)(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.19	ClC(Cl)(Cl)[C@H](NC=O)N1CCN(CC1)[C@@H](NC=O)C(Cl)(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.19	ClC(Cl)(Cl)[C@H](NC=O)N1C=CN(C=C1)[C@H](NC=O)C(Cl)(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.22	COP(=O)(OC)[C@H](O)C(Cl)(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.31	ClC(Cl)(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.17	ClC(Cl)(Cl)C#N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.67	OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.4	ClC(Cl)C(Cl)(Cl)SN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.39	ClCc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.37	ClCC#CCOC(=O)Nc1cccc(Cl)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.99	CCCCCCCCl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.12	CCCCCCCl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.73	CCCCCCl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.03	CCCCCl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.62	ClCCCCl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.47	CCCCl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.06	ClCCCl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.29	ClCCC#N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.12	ClCCOCCCl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.16	ClCCS(=O)CCCl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.5	ClCCS(=O)(=O)CCCl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.06	CCCl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.36	ClCC=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2	CC(C)CCl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.11	OC(CCl)CCl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.34	CCOP(=S)(OCC)S[C@H](CCl)N1C(=O)c2ccccc2C1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.63	ClCCl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.09	ClCC#N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.19	CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.26	CCc1cccc(CC)c1N(COC)C(=O)CCl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.73	CCc1cccc(C)c1N([C@H](C)COC)C(=O)CCl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.48	CC(C)N(C(=O)CCl)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.02	NC(=O)CCl	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.93	OC(=O)CCl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.5	ClCCS(=O)(=O)CCl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.75	ClC=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.77	COC(=O)[C@H](Cl)Cc1ccc(Cl)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.63	CCC[C@@H](C)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.63	CCC(Cl)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.96	CC[C@@H](C)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.92	ClCC(Cl)CCl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.6	C[C@@H](Cl)CCl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.41	CC(C)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.7	C[C@H](Cl)[C@@H](C)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.68	NS(=O)(=O)c1cc2c(N[C@@H](NS2(=O)=O)C(Cl)Cl)cc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.4	CCCC(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.48	ClCC(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.03	ClC(Cl)CC(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.29	CC(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.51	ClC(Cl)[C@H](c1ccc(Cl)cc1)c2ccccc2Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.2	ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.74	ClC(Cl)C(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.17	ClC(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.62	ClC(Cl)C(=O)N(CC=C)CC=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.03	ClC(Cl)C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.15	CS(=O)(=O)c1ccc(cc1)[C@H](O)[C@H](CO)NC(=O)C(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.3	Cl\C=C\Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.3	Cl\C=C\Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.52	CCN(CC)C(=O)\C(=C\COP(=O)(OC)OC)\Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.08	CC(C)N(C(C)C)C(=O)SC\C(=C\Cl)\Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.6	CC1(C)N(Cl)C(=O)N(Cl)C1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.28	Fc1cccc(F)c1C(=O)NC(=O)Nc2cc(Cl)c(F)c(Cl)c2F	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.02	Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.38	Fc1cc(F)c(F)cc1F	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.31	Fc1cc(F)c(F)c(F)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.34	CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c2ccc(F)c(Oc3ccccc3)c2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.49	C[C@H](C(=O)O)c1ccc(c(F)c1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.8	OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.37	O[C@](Cn1cncn1)(c2ccc(F)cc2)c3ccccc3F	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.32	CC1(C)O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@H](O)C[C@]3(C)[C@]2(O1)C(=O)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.43	C[C@]12C[C@@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.1	C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C)[C@@]3(C)C[C@@H](O)[C@]2(F)[C@@]4(C)C=CC(=O)C=C14	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.71	CCCCC(=O)O[C@]1([C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]12C)C(=O)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.9	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@]1(OC(=O)C)C(=O)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.9	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.64	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.61	C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.13	CC(=O)OCC(=O)[C@@]1(O)[C@@H](C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]12C)OC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.69	C[C@]12C[C@@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2	Fc1cccc(F)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.54	Fc1ccc(CCl)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.43	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.97	Fc1ccc(F)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.78	CC(=O)Nc1ccc(F)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.8	Fc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.07	FC1=CNC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.97	NC1=NC(=O)NC=C1F	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.04	FC(F)(Cl)C(F)(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.12	FC(F)(Cl)C(F)(F)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.21	CCN1c2ncccc2C(=O)Nc3c1nc(C)cc3C(F)(F)F	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.59	NS(=O)(=O)c1cc2c(N[C@H](Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.6	OC(=O)c1ccccc1C(F)(F)F	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.15	OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.52	CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.3	CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(F)(F)F	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8	CC(C)[C@@H](Nc1ccc(cc1Cl)C(F)(F)F)C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.44	CN1C=C(C(=O)C(=C1)c2cccc(c2)C(F)(F)F)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.4	FC(F)(F)c1cccc(c1)C(c2ccccc2)(c3ccccc3)n4cncn4	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.05	FC(F)(F)c1cccc(c1)N2C[C@@H](CCl)[C@@H](Cl)C2=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.04	CNC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F)F	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.47	Nc1cccc(c1)C(F)(F)F	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.36	OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.17	OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.43	CN(C)C(=O)Nc1cccc(c1)C(F)(F)F	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.51	FC(F)(F)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.3	C[C@H](O)C(F)(F)F	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.32	Cc1c(F)c(F)c(COC(=O)[C@@H]2[C@@H](\C=C(/Cl)\C(F)(F)F)C2(C)C)c(F)c1F	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.18	CC1(C)[C@H](\C=C(/Cl)\C(F)(F)F)[C@H]1C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.24	CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.8	Cc1cc(ccc1NS(=O)(=O)C(F)(F)F)S(=O)(=O)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.8	FCCN1C(=O)c2ccccc2Cc3ccccc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.88	CC(C)[C@H](C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1)c3ccc(OC(F)F)cc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.55	Ic1cccc2ccccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.22	N[C@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.86	N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.61	Oc1c(I)cc(cc1I)C#N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.31	OC(=O)c1cc(I)cc(I)c1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.62	COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.54	Clc1ccccc1I	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.21	Ic1ccccc1C(=O)Nc2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.73	OC(=O)c1ccccc1I	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.55	Clc1cccc(I)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.27	OC(=O)c1cccc(I)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.56	Brc1ccc(I)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.03	Clc1ccc(I)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.13	Fc1ccc(I)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.25	CC(=O)Nc1ccc(I)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.78	Ic1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.46	Ic1[nH]c(I)c(I)c1I	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.46	Ic1[nH]c(I)c(I)c1I	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.81	CCCCCCCI	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.96	CCCCI	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.29	CCCI	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.43	OC(=O)CCI	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.6	CCI	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.34	ICI	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1	CI	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.09	CC(C)I	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.22	I\C=C\I	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.22	I\C=C\I	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.32	OC(=O)C1=C(CN2C=CC=C=C2)CS[C@@H]3[C@H](NC(=O)Cc4cccs4)C(=O)N13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.99	Nc1cc(nc(N)[n+]1[O-])N2CCCCC2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.68	c1cnc2c(c1)ccc3ncccc23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.97	Cc1ccnc2c1ccc3c(C)ccnc23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.78	c1ccc2c(c1)cnc3ccccc23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.36	c1ccc2c(c1)ccc3ncccc23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.54	COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)\C=C\c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.54	COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)\C=C\c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.94	Cc1cc(C)c2ccccc2n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.2	Cc1cc(O)c2ccccc2n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.54	Oc1cccc2ncccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.87	COc1ccc2CC[C@]34C=CC(=O)C[C@]3(CCN4C)c2c1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.67	c1ccc2nc3ccccc3cc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.04	CN1C(=O)c2cc(N)cnc2Oc3cc(C)ccc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.16	Oc1ccc2ncccc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.4	c1ccc2nc(ccc2c1)c3ccc4ccccc4n3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.94	Cc1ccc2ccc(C)nc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.93	CN1C(=O)c2cc(C)ccc2Oc3ccc(N)cc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.42	Oc1cccc2cccnc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.3	c1ccc2ncccc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.19	CN(C)CCCN1c2ccccc2CCc3ccccc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.66	CNCCCN1c2ccccc2CCc3ccccc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.75	CCN1c2ccccc2N(C)C(=O)c3ccccc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.68	CCN1C(=O)c2ccccc2Oc3ccccc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.67	CN1C(=O)c2cccnc2Oc3ccccc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.68	c1ccc2c(c1)ccc3nccnc23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.09	COc1cc2N3[C@@H]4[C@H]5[C@H](CC3=O)OCC=C6CN7CC[C@@]4([C@@H]7C[C@H]56)c2cc1OC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.09	COc1cc2N3[C@@H]4[C@H]5[C@H](CC3=O)OCC=C6CN7CC[C@@]4([C@@H]7C[C@H]56)c2cc1OC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.32	O=C1C[C@@H]2OCC=C3CN4CC[C@]56[C@@H]4C[C@@H]3[C@H]2[C@H]5N1c7ccccc67	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.32	O=C1C[C@@H]2OCC=C3CN4CC[C@]56[C@@H]4C[C@@H]3[C@H]2[C@H]5N1c7ccccc67	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.52	COc1ccc2C[C@H]3[C@H]4C=C[C@H](O)[C@H]5Oc1c2[C@@]45CCN3C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.28	CN1CC[C@@]23[C@@H]4Oc5c(O)ccc(C[C@H]1[C@H]2C=C[C@@H]4O)c35	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.87	COc1ccc2C[C@@H]3[C@H]4C=CC(=O)C[C@]4(CCN3C)c2c1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.82	CC[C@@H]1[C@@H]2C[C@H]3[C@H]4N(C)c5ccccc5[C@]46C[C@@H]([C@H]2[C@H]6O)N3[C@H]1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.48	CN1[C@@H]2CC(C[C@H]1[C@H]3O[C@@H]23)OC(=O)[C@@H](CO)c4ccccc4	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.91	CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@@H](CO)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.23	COC(=O)[C@H]1[C@@H](C[C@H]2CC[C@@H]1N2C)OC(=O)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.02	CN1[C@@H]2CC[C@H]1[C@H]([C@H](O)C2)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.55	CCN1c2ncccc2C(=O)Nc3c(C)cc(C)nc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.36	CCN1c2nc(ccc2NC(=O)c3cccnc13)N(C)CCO	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.06	Cc1cnc2cncnc2n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.91	COc1cnc2cncnc2n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.19	Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.32	CCN1c2ccccc2N(C)C(=O)c3cccnc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.87	CCN1c2cc(cc(C)c2NC(=O)c3cccnc13)N(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.15	CCN1c2cc(OC)cc(C)c2NC(=O)c3cccnc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.86	CCN1C(=O)c2cccnc2N(CC)c3ncccc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.62	CCN1c2ncccc2N(C)C(=O)c3cccnc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.12	Cc1ncc2nccnc2n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.11	COc1ncc2nccnc2n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.95	Oc1ncc2nccnc2n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.02	c1cnc2ncncc2n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.47	Cc1ncnc2nccnc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.11	COc1ncnc2nccnc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.06	Cc1cnc2ncncc2n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.14	COc1cnc2ncncc2n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.95	Nc1ncnc2c1ccn2[C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.23	OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n2cnc3c(O)ncnc23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.39	CN1C(=O)N(C)c2nc[nH]c2C1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.68	Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.68	O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O)N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.38	Cc1cccnc1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.38	Cc1ccnc(C)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.4	Cc1ccc(C)nc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.45	Cc1cccc(C)n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.42	c1ccc(nc1)c2ccccn2	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.51	CCc1ccccn1	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.02	Oc1ccccn1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.14	COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5c(OC)c34	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.11	COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5cc34	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.89	CCOC(=O)C1(CCN(C)CC1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
1	CN1CCCC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.42	CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@@]2(O)C(=O)C(=C1O)C(=O)NCN4CCCC4)C(=O)c5c(O)cccc5[C@@]3(C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.23	CN1CCCCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.46	O=C(\C=C\C=C\c1ccc2OCOc2c1)N3CCCCC3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.46	O=C(\C=C/C=C/c1ccc2OCOc2c1)N3CCCCC3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.17	O=NN1CCCCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.07	O[C@@H]1CCN2[C@H](O)c3ccccc3N=C12	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.81	COC(=O)C1=CCCN(C)C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.64	COc1cc2c(N)nc(nc2c(OC)c1OC)N3CCN(CC3)C(=O)OCC(C)(C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.15	CC(C)CNC(=O)N1CCNC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.98	CCN1C=C(C(=O)O)C(=O)c2cnc(nc12)N3CCNCC3	J. Chem. Inf. Model. 2007, 47, 1395-1404
1	CN1CCOCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.72	C[N+](C)(C)CC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.45	c1ccc2cnccc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.89	C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]2C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.36	Cc1ccncc1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.38	Cc1cncc(C)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.96	OCc1cccnc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.46	COC(=O)c1cccnc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.84	OC(=O)c1cccnc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.46	Oc1cccnc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.79	CN1CCC[C@@H]1c2cccnc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.55	CN1CCCC[C@H]1C(=O)Nc2c(C)cccc2C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.63	CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccccc34	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.76	COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@H]4C=C)c2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.07	O[C@H]([C@H]1C[C@@H]2CCN1C[C@H]2C=C)c3ccnc4ccccc34	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.54	c1cc(ccn1)c2ccncc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.02	Oc1ccncc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.76	c1ccncc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.17	CN1C(=O)N(C)c2ncn(C[C@@H](O)CO)c2C1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.97	CN1C(=O)N(C)c2ncn(C)c2C1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.52	CN1C(=O)NC(=O)c2c1ncn2C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.23	OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n2cnc3C(=O)NC=Nc23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.74	CCOC(=O)c1cncn1[C@@H](C)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.6	COc1ccc(cc1)[C@](O)(C2CC2)c3cncnc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.1	c1cncnc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.16	o1cnc2ccccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.37	CCN1C=C(C(=O)O)C(=O)c2ccc(C)nc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.96	CN1C=CC=CC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.8	CN1C=CC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.88	CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.59	O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.56	CN1C(=O)NC2=C(NC(=O)N2)C1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.23	CCC1(CC)C(=O)NC(=O)N(C)C1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.74	CN1C(=O)NC(=O)[C@@](C)(C2=CCCCC2)C1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.92	CC1=Nc2ccccc2C(=O)N1c3ccccc3C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.42	c1ccc2c(c1)ccc3c4ccc5ccccc5c4[nH]c23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.97	c1ccc2c(c1)[nH]c3ccccc23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.57	CC[C@H](N)Cc1c[nH]c2ccccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.23	N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.07	OC(=O)Cc1c[nH]c2ccccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.42	Cc1c[nH]c2ccccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.52	c1ccc2[nH]ccc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.14	O=C1Nc2ccccc2C=C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.12	Nc1ncnc2[nH]cnc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.93	O=C1NC(=O)C2=C(NC(=O)N2)N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.61	O=C1NC(=O)c2ccccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.93	O[C@](C1=C[C@@H]2[C@H]3[C@@H]([C@H]1/C/2=C(\c4ccccc4)/c5ccccn5)C(=O)NC3=O)(c6ccccc6)c7ccccn7	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.93	O=C1NC(=O)[C@H]2C=CC=C[C@@H]12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.34	CC[C@@]1(CCC(=O)NC1=O)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.3	O=C1CCC(=O)N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.13	C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@@H](O)CC2CC(=O)NC(=O)C2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.52	CCCCCCCC(=O)OCN1C(=O)NC(C1=O)(c2ccccc2)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.3	CCCCCCC(=O)OCN1C(=O)NC(C1=O)(c2ccccc2)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.89	CCCCCC(=O)OCN1C(=O)NC(C1=O)(c2ccccc2)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.68	CCCCC(=O)OCN1C(=O)NC(C1=O)(c2ccccc2)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.07	CCCC(=O)OCN1C(=O)NC(C1=O)(c2ccccc2)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.91	CCC(=O)OCN1C(=O)NC(C1=O)(c2ccccc2)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.47	CC(=O)OCN1C(=O)NC(C1=O)(c2ccccc2)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.1	O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.36	O=C1C=CC=C2[C@H]3CNC[C@H](C3)CN12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.04	C1Cc2ccccc2N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.07	O=C1CCCN1	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.15	C1CCNC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.07	C1CCNCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.07	C1CNCCN1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.6	C(N(Cc1ccccc1)c2ccccc2)C3=NCCN3	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.06	C1COCCN1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.4	O=C1CNC(=O)N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.83	O=C1CNC(=O)CN1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.64	CCC1(C(=O)NCNC1=O)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.5	CCC[C@@H]1CCCCN1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.5	CC[C@@H]1CCCCN1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.45	CC(=O)C[C@@H]1CCCCN1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.74	C[C@H]1CNCCN1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.49	C[C@@H]1CN[C@@H](C)CN1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.17	c1cc[nH]c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.61	COc1ccc(C[C@H]2NC[C@@H](O)[C@@H]2OC(=O)C)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.06	CC[C@H]1NC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.6	NC(=O)N[C@H]1NC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.39	CN1C(=O)N(C)c2nc[nH]c2C1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.29	O=C1NC=Nc2nc[nH]c12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.58	NC1=Nc2[nH]cnc2C(=O)N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.12	Nc1ncnc2nc[nH]c12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.4	Nc1nc(O)nc2nc[nH]c12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.53	N[C@H](Cc1c[nH]cn1)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.96	OC(=O)\C=C\c1c[nH]cn1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.96	OC(=O)\C=C\c1c[nH]cn1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.52	CC1=CNC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.46	CC1=CNC(=O)N=C1N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.29	O=C1NC=Nc2nc[nH]c12	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.59	O=C1NC=NC=C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.48	O=C1NC=CC(=O)N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.14	NC1=NC(=O)NC=C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.88	COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.36	COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.96	Cc1nc2ccccc2[nH]1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.4	O=C1NC(=O)C(=O)N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.89	O=C1NC(=O)C2(CC2)C(=O)N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.65	O=C1NC(=O)C2(CCC2)C(=O)N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.35	O=C1NC(=O)C2(CCCC2)C(=O)N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.06	O=C1NC(=O)C2(CCCCC2)C(=O)N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.17	O=C1NC(=O)C2(CCCCCC2)C(=O)N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.98	O=C1NC(=O)C2(CCCCCCC2)C(=O)N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.64	CCCCC1(CC)C(=O)NC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.57	CCC1(CCC(C)C)C(=O)NC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.32	CCC1(C(=O)NC(=O)NC1=O)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.64	CCC1(C(=O)NC(=O)NC1=O)C2=C[C@H]3CC[C@H](C3)C2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.7	CCC1(C(=O)NC(=O)NC1=O)C2=CC[C@@H]3CC[C@H]2C3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.17	CCC1(C(=O)NC(=O)NC1=O)C2=CCCCC2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3	CCC1(C(=O)NC(=O)NC1=O)C2=CCCCCC2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.39	CCC1(CC)C(=O)NC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.25	CCC1(CC=C(C)C)C(=O)NC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.61	CCC1(CC=C)C(=O)NC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.23	CCC1(C)C(=O)NC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.18	C=CCC1(C(=O)NC(=O)NC1=O)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.06	C=CCC1(CC=C)C(=O)NC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.16	CC1(CC=C)C(=O)NC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.74	CC1(C)C(=O)NC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.52	CCC[C@@H](C)C1(CC)C(=O)NC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.36	CCC[C@H](C)C1(CC=C)C(=O)NC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.39	CC[C@@H](C)C1(CC)C(=O)NC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.02	CC[C@H](C)C1(CC=C)C(=O)NC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.21	CCC1(C(C)C)C(=O)NC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.59	CC(C)C1(CC=C(C)C)C(=O)NC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.71	CC(C)C1(CC=C)C(=O)NC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.77	CC(C)C1(C(C)C)C(=O)NC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.99	OC1(C(=O)NC(=O)NC1=O)C2(O)C(=O)NC(=O)NC2=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.25	O=C1NC(=O)C(=O)C(=O)N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.03	CCCCC1=C(C)N=C(NCC)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.26	CC1=CC(=O)NC(=O)N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.93	OC(=O)C1=CC(=O)NC(=O)N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.16	c1ccc2[nH]ncc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.38	Oc1ncnc2[nH]ncc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.27	O=C1NC=Nc2[nH]ncc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.52	Nc1nc[nH]n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.78	c1ccc2[nH]nnc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.54	CCC[C@@H]1C(=O)N2N(C1=O)c3cc(C)ccc3N=C2N(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.73	CCCC[C@@H]1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.81	CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.27	CC(=O)CCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.09	CN(C)C(=O)Oc1cc(C)nn1c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.71	CN1N(C(=O)C=C1C)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.63	CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.62	CN1N(C(=O)C(=C1C)N)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.1	c1ccnnc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.51	C[C@]12Cc3cnoc3C=C1CC[C@@H]4[C@@H]2CC[C@@]5(C)[C@H]4CC[C@]5(O)C#C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.07	Cc1onc(O)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.54	[O-][N+](=O)c1cccc2ccccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.82	[O-][N+](=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.47	CC(=O)Oc1c(cc(c(C)c1[N+](=O)[O-])[N+](=O)[O-])C(C)(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.47	CCN(CC)c1c(cc(c(N)c1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.53	CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.68	CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.78	CCN(Cc1c(F)cccc1Cl)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.12	CCN(CC(=C)C)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.49	CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.46	Cc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.38	CC[C@@H](C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.22	Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.16	CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.48	[O-][N+](=O)c1cccc(Cl)c1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3	Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.04	COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.82	Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.76	COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OC)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.33	Cc1ccccc1[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.55	[O-][N+](=O)c1ccccc1Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.1	[O-][N+](=O)c1ccccc1[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.96	Nc1ccccc1[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.91	CC(=O)Nc1ccccc1[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.96	COc1ccccc1[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.74	Oc1ccccc1[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.8	CN1C(=O)CN=C(c2ccccc2)c3cc(ccc13)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.5	[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.8	[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.2	[O-][N+](=O)c1ccc(Cl)c(Cl)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.7	Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.31	COP(=S)(OC)Oc1ccc(cc1Cl)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.89	[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.44	Cc1cccc(c1)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.77	[O-][N+](=O)c1cccc(Cl)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.68	OC(=O)c1cccc(c1)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.29	[O-][N+](=O)c1cccc(c1)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.19	Nc1cccc(c1)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.01	Oc1cccc(c1)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.49	Cc1ccc(cc1)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.11	OC[C@H](NC(=O)C(Cl)Cl)[C@@H](O)c1ccc(cc1)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.92	[O-][N+](=O)c1ccc(Cl)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.8	OC(=O)c1ccc(cc1)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.39	[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.37	Nc1ccc(cc1)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.69	CC(=O)Nc1ccc(cc1)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.46	[O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.41	COc1ccc(cc1)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.74	Oc1ccc(cc1)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.66	CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.68	COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.8	[O-][N+](=O)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.28	[O-][N+](=O)C1C(=O)NC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.81	[O-][N+](=O)c1nccn1CC(=O)NCc2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.26	Cc1ncc([N+](=O)[O-])n1CCO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.19	O\N=C\c1oc(cc1)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.38	[O-][N+](=O)c1oc(\C=N\N2CC(=O)NC2=O)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.19	O\N=C\c1oc(cc1)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.22	[O-][N+](=O)c1cnc(s1)N2CCNC2=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2	[O-][N+](=O)C(Cl)(Cl)Cl	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.8	CCC[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.22	CC[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.26	C[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.62	CC(C)[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.37	NC(=N)N[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.63	[O-][N+](=O)O[C@H]1CO[C@@H]2[C@H](CO[C@H]12)O[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.22	[O-][N+](=O)OCC(CO[N+](=O)[O-])O[N+](=O)[O-]	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.61	O=C1N=C(Oc2ccccc12)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.61	O=C1OC(=Nc2ccccc12)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.16	C1=CC2=NN=C=C2C=C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.38	O=C1NC=Nc2[nH]ncc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.59	O=C1CC=NC=N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.12	CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.42	CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@@]2(O)C(=O)C=C1O)C(=O)c4ccccc4[C@@]3(C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.14	CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.87	C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=C(C(=O)N)C(=O)[C@]3(O)C(=C2C(=O)c4c(O)cccc14)O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.38	N#Cc1ccccc1C#N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1	N#Cc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.28	CCC#N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.96	C\C=C\CC#N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.96	C\C=C\CC#N	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.26	CC#N	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.15	C=CC#N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.77	OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O[C@@H](C#N)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.03	CC1(C)C(C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.12	CCCCN(CCCC)CCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.28	CCCN(CCC)CCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.46	CN(C)CCC=C1c2ccccc2CCc3ccccc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.4	CN(C)CC\C=C/1\c2ccccc2COc3ccccc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.4	CN(C)CC\C=C\1/c2ccccc2COc3ccccc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.64	CN(C)CCN(Cc1ccccc1)c2ccccn2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.7	CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.4	CCN(CC)CCOC(=O)c1ccc(N)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.84	CCCCOc1ccc(cc1)C(=O)OCCN(CC)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.71	CCOc1ccc(cc1)C(=O)OCCN(CC)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.73	OCCN(CCO)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.84	CCCCOc1ccc(C(=O)OCC)c(c1)N(CC)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.03	CCN(CC)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.14	CCN(CC)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.76	CCN(CC)CC(=O)Nc1c(C)cccc1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.57	CCN(CC)C(=O)[C@H](C)Oc1cccc2ccccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.95	CN(C(=O)C)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.35	CN(C(=O)NC(C)(C)c1ccccc1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.36	CNC(=O)Oc1ccc(N(C)C)c(C)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.92	CN(C)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.24	CCCCc1c(C)nc(nc1O)N(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.95	CN(C)C(=O)Oc1nc(nc(C)c1C)N(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.36	CN(C)c1nc(nc(n1)N(C)C)N(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.84	CN(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.34	CNC(=O)Oc1cccc(c1)\N=C\N(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.34	CNC(=O)Oc1cccc(c1)\N=C\N(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.11	CN(C)C(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.98	CN(C)C(=O)C(c1ccccc1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.94	CN(C)C(=O)N(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.93	CN(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.54	CC(C)c1ccc(NC(=O)N(C)C)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.16	COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.6	CN(C)C(=O)Nc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.85	CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.47	CN(\C=N\c1ccc(C)cc1C)\C=N\c2ccc(C)cc2C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.47	CN(\C=N\c1ccc(C)cc1C)\C=N\c2ccc(C)cc2C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.6	COCC(=O)N([C@H](C)C(=O)OC)c1c(C)cccc1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.2	Nc1cc2c3ccccc3ccc2c4ccccc14	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.92	Nc1cccc2ccccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.22	Nc1cccc2nc3ccccc3cc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.35	CCc1cccc(CC)c1N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.85	Cc1ccccc1N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.52	Nc1ccccc1C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.42	Nc1ccccc1N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.72	Nc1ccccc1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.17	Nc1ccc2cc3ccccc3cc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.85	Cc1cccc(N)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.28	CC(=O)c1cccc(N)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.7	Nc1ccc(cc1)c2ccc(N)cc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.3	Nc1ccc(Cc2ccc(N)cc2)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.21	Cc1ccc(N)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.63	CCC(=O)c1ccc(N)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.61	CC(=O)c1ccc(N)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.4	CCCCCCCCOC(=O)c1ccc(N)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.6	CCCCCCCOC(=O)c1ccc(N)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.95	CCCCCCOC(=O)c1ccc(N)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.26	CCCCCOC(=O)c1ccc(N)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.08	CCCCOC(=O)c1ccc(N)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.33	CCCOC(=O)c1ccc(N)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.62	CCOC(=O)c1ccc(N)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.59	COC(=O)c1ccc(N)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.4	Nc1ccc(cc1)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.38	Nc1ccc(N)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.8	Nc1ccc(O)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.41	Nc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.21	C[C@H]1C\C=C/C=C\C=C\C=C\[C@@H](C[C@H]2O[C@@](O)(C[C@@H](O)C[C@@H]3O[C@H]3\C=C/C(=O)O1)C[C@@H](O)[C@@H]2C(=O)O)O[C@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.21	C[C@H]1C\C=C/C=C/C=C\C=C\[C@@H](C[C@H]2O[C@@](O)(C[C@@H](O)C[C@@H]3O[C@H]3\C=C\C(=O)O1)C[C@@H](O)[C@@H]2C(=O)O)O[C@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.4	Nc1nc(N)c2nc(c(N)nc2n1)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.1	COCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.86	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.28	Cc1cc(N)nc(C)n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.12	NC1=C2N=CN=C2N=C=N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.53	NCc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.12	NCCc1ccc(O)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.7	NCCCCCCCCCCC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.75	CCCCCCCCN	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.85	CCCCCCCN	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.1	CCCCCCN	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.71	CCCC[C@H](CC)CN	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.48	NC[C@@H](O)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.6	N[C@H](Cc1ccc(O)c(O)c1)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.57	N[C@H](Cc1ccc(O)cc1)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.23	N[C@H](Cc1ccccc1)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.55	N[C@H](CCC(=O)N)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.31	CC[C@H](N)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.74	N[C@H](CC(=O)N)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.08	C[C@H](N)CC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.09	C[C@@H](O)[C@@H](N)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.31	NC(=NC#N)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.92	NC(=O)c1ccccc1C(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.76	NC(=O)c1ccccc1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.96	NC(=O)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.61	NC(=O)c1cccnc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.91	NC(=O)c1cnccn1	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.58	CC(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.96	NC(=O)C=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.96	NC(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.1	CC(C)(C)OC(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.35	NC(=O)OCc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.67	CCCC(C)(COC(=O)N)COC(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.8	CC(C)(C)COC(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.3	CCCCCCCCOC(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.62	CCCCCCCOC(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.92	CCCCCCOC(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.47	CCCCCOC(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.66	CCCCOC(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.85	CCOC(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.3	CC(C)COC(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.99	COc1ccccc1OC[C@H](O)COC(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.97	COC(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.78	Cc1cccc(Nc2ccccc2C(=O)O)c1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.24	CC(=O)Nc1ccccc1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.09	CC(=O)Nc1cccc(C)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.8	COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.63	CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.58	CC(=O)Nc1ccc(C=O)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.98	CC(=O)Nc1ccc(N)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.37	CCOc1ccc(NC(=O)C)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.17	CCOc1ccc(NC(=O)N)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.3	COc1ccc(NC(=O)C)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.91	CC(=O)Nc1ccc(OC(=O)C)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.03	CC(=O)Nc1ccc(O)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.51	N(c1ccccc1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.68	O=CNc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.59	Oc1ccccc1C(=O)Nc2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.3	Cc1occc1C(=O)Nc2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.56	CC1=C(CCCO1)C(=O)Nc2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.92	CCC(=O)Nc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.33	CC(=O)Nc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.15	O=C(Nc1ccccc1)Nc2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.01	CN(C)C(=O)N[C@H]1C[C@H]2C[C@@H]1[C@@H]3CCC[C@H]23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.36	CN(C)C(=O)NC1CCCCCCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.11	C[C@@H]1CCCC[C@H]1NC(=O)Nc2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.5	NCC[C@@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@@H](CN)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](N)[C@@H]3O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.24	CCNc1nc(NC(C)(C)C)nc(OC)n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.22	CC(C)(C)NC[C@@H](O)c1ccc(O)c(CO)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.95	NC(=O)NCc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.44	CCCCNCCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.46	CCCNCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.7	CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.27	CCCCCNCCOC(=O)c1ccc(N)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.7	CCNc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.02	CCCCc1c(C)nc(NCC)nc1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.83	CCNC(=O)[C@H](C)OC(=O)Nc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.51	NC(=N)NCC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.68	OC(=O)CNC(=O)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.15	C[C@@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.88	CNc1ccccc1C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.28	CNc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.13	CNC(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.8	CNC(=O)Oc1cccc2CC(C)(C)Oc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.28	CNC(=O)Oc1cccc2ccccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.57	CNC(=O)Oc1ccccc1C2OCCO2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.86	CNC(=O)Oc1ccccc1C(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.05	CNC(=O)Oc1ccccc1OC(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.24	CNC(=O)Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.58	CNC(=O)Oc1cc(C)cc(C)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.8	CNC(=O)Oc1cccc(C)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.8	CNC(=O)Oc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.08	CCNc1nc(NC(C)C)nc(OC)n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.48	COc1nc(NC(C)C)nc(NC(C)C)n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.42	CN[C@H](C)[C@@H](O)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.27	O=C(NC(=O)c1ccccc1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.9	CC(=O)NC(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.07	NNc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.34	CNN	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.01	NNC(=O)c1ccncc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.33	NNC(=O)Nc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.92	N(Nc1ccccc1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.46	Cc1onc(c1)C(=O)NNCc2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.74	ONc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.04	CC(C)Cc1ccc(cc1)[C@H](C)C(=O)NO	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.12	NC(=O)NO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.2	CN(C)NC(=O)CCC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.75	O=NN(c1ccccc1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.96	CCN(N=O)C(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.85	CN(N=O)C(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.45	c1ccc(cc1)N=Nc2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.45	c1ccc(cc1)N=Nc2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.84	C[C@]12[C@H](O)C=C[C@@]3(OC1=O)[C@H]4CC[C@]5(O)C[C@]4(CC5=C)[C@@H]([C@@H]23)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.6	o1c2ccccc2c3ccccc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.4	COc1c2OC(=CC(=O)c2c(OC)c3ccoc13)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.93	COc1cc(O)c2C(=O)c3cc(O)ccc3Oc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.66	COc1c2OC(=O)C=Cc2cc3ccoc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.31	COc1ccc2C=CC(=O)Oc2c1CC=C(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.89	O=C1Oc2ccccc2C=C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.84	OC1=C([C@H]2CCCc3ccccc23)C(=O)Oc4ccccc14	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.66	CCOC(=O)C(C1=C(O)c2ccccc2OC1=O)C3=C(O)c4ccccc4OC3=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.89	CC(=O)C[C@H](C1=C(O)c2ccccc2OC1=O)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.89	CC(=O)C[C@H](C1=C(O)c2ccccc2OC1=O)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.31	O1c2ccccc2Oc3ccccc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.64	CC12CCC(CC1)C(C)(C)O2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.85	C[C@]12CCC(=O)C=C1CC[C@H]3[C@H]4CC[C@H](C(=O)CO)[C@@]45C[C@H](O[C@@H]5O)[C@H]23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.42	COc1cc2OC[C@@H]3Oc4c5C[C@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(=C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.09	C[C@@H]1[C@H]2CC[C@]3(C)C=CC(=O)C(=C3[C@@H]2OC1=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.27	OC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.94	COC1=C[C@@H]2O[C@@H]3C=CC(=C[C@H]3C(=O)[C@H]2C(=C1)O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.32	C[C@H]1CO[C@@H]2C[C@@]3(C)[C@@H](C[C@H]4[C@@H]5C=C6C[C@H](O)CC[C@@]6(C)C[C@H]5CC[C@]34C)O[C@H]2C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.32	C[C@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.9	Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.39	O=C1OC(=O)c2ccccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.41	OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O[C@@]3(CO)O[C@H](CO)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.79	OC[C@@H]1O[C@H](O[C@@]2(CO)O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.64	OC[C@H]1O[C@@](O)(CO)[C@H](O)[C@@H]1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.1	O=Cc1occc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.48	OC(=O)c1occc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.64	OC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.89	COc1ccc2COC(=O)c2c1OC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.7	OC1=CC2=C3c4ccc(O)c(O)c4OC[C@@]3(O)CC2=CC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.9	COC1=C(OC)[C@@H]2[C@H](COC2=O)C=C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.07	O=C1CCCO1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.56	C1CCOC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.03	C1CCOCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.05	O[C@H]1CCOC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.63	O=Cc1ccc2OCOc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.6	C1O[C@@H]1c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.59	C[C@@H]1CO1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.62	Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccc(O)c(O)c3	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.11	C[C@@H]1CCCO1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.01	CC[C@@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@@H]12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.08	C[C@@H]1O[C@@H](C[C@H](O)[C@H]1O)O[C@@H]2[C@@H](O)C[C@@H](O[C@@H]3[C@@H](O)C[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H](CC[C@@]67O)C8=CC(=O)OC8)C4)O[C@H]3C)O[C@H]2C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.29	C[C@@H]1O[C@@H](C[C@H](O)[C@H]1O)O[C@@H]2[C@@H](O)C[C@@H](O[C@@H]3[C@@H](O)C[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C@@]67O)C8=CC(=O)OC8)C4)O[C@H]3C)O[C@H]2C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.82	o1cccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.74	COC(=O)c1ccccc1O[C@@H]2O[C@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.85	OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.24	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.74	OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.39	O[C@H]1CO[C@H](O)[C@@H](O)[C@@H]1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.57	COc1cc(cc(OC)c1O)[C@@H]2[C@@H]3[C@H](COC3=O)[C@@H](O[C@H]4O[C@H]5CO[C@H](C)O[C@@H]5[C@@H](O)[C@@H]4O)c6cc7OCOc7cc26	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.08	OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.99	CC1(C)[C@H]2CC[C@]1(C)C(=O)C2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.19	O=C1c2ccccc2C(=O)c3ccccc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.85	C[C@]12CC[C@H](C1)C(C)(C)C2=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.48	C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.69	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.28	CC(=O)O[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.35	CC(=O)O[C@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.48	C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.7	C[C@]12CCCC[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.79	CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.72	CC(=O)Oc1ccccc1C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.06	CC1=CC(=O)CC(C)(C)C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.27	CC(=O)[C@@]1(C)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.43	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.6	O=C1CCCCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.87	C[C@H]1CCCC(=O)C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.06	CC(=C)[C@H]1CC=C(C)C(=O)C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.11	CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.85	Cc1cccc(Oc2cccc(C)c2)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.94	C[C@@H]1CCCCC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.18	C[C@H]1CC[C@@H](CC1=O)C(=C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.49	CC(C)[C@H]1CC[C@H](C)CC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.96	O(c1ccccc1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.15	Oc1ccccc1C(=O)Oc2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.85	O=C(Oc1ccccc1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.99	O=C1C=CC(=O)C=C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.03	CC1=CC(=O)c2ccccc2C1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.37	CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.18	CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.46	CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.67	CC(=O)OC1CCCCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.12	O=C(c1ccccc1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.63	CC(=O)CC(=O)C(C)(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.72	CC(=O)C(C)(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.31	CCCCCCCCC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.58	CCCCCCCC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.05	CCCCCCC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.42	CCCCCC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.59	CCCCC(=O)CCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.56	CCCCC(=O)CC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.8	CCCCC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.19	COC(C)(C)CCC[C@@H](C)C\C=C\C(=C\C(=O)OC(C)C)\C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.19	COC(C)(C)CCC[C@@H](C)C\C=C\C(=C\C(=O)OC(C)C)\C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.3	CCCC(=O)CCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.83	CCCC(=O)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.19	CCCC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.83	CCCC(=O)C=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.33	CC(C)CCC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.83	CCC(=O)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.28	CCC(=O)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.52	CCC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.6	CC(C)CC(=O)CC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.42	CC(C)CC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.22	CC(=O)CC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.28	CC(=O)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.24	COC(C)(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.88	CCCC(C(=O)C)C(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.67	CC[C@@H](C)C(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.12	CC(C)C(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.3	CC(C)C(=O)C(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.24	CC(=C[C@H]1[C@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.6	CCOc1ccc(cc1)C(C)(C)COCc2cccc(Oc3ccccc3)c2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.11	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.14	CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.46	CCCCCCOC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.64	CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.28	CCCCCOC(=O)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.89	CCCCCOC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.85	CCCCOCCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.99	CCCCOC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.37	CCCCOC=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.64	CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.4	CCCCOC(=O)c1ccccc1C(=O)OCCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.72	CCCCOC(=O)c1ccc(O)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.48	CCCCOC(=O)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.9	CCCCOC(=O)CCCCCCCCC(=O)OCCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.24	CCCCOC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.62	CCCOCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.66	CCCOCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.39	CCCOC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.49	CCCOC=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.78	CCCOC(=O)c1cc(O)c(O)c(O)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.67	CCCOC(=O)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.92	CCCOC(=O)CCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.82	CCCOC(=O)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.72	CCCOC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.52	CC(C)CCOC=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.16	CC(C)CCOC(=O)c1ccccc1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.92	CC(C)CCOC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.77	CCOCCOCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.71	OCCOc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.42	CCCCOCCO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.33	CCOc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.09	CCOCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.85	CCOC=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.15	CCOC=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.35	CCOC(=O)c1ccccc1C(=O)OCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.35	CCOC(=O)c1ccc(O)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.32	CCOC(=O)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.1	CCCCCCCCCC(=O)OCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.8	CCCCCCCCC(=O)OCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.39	CCCCCCCC(=O)OCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.71	CCCCCCC(=O)OCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.31	CCCCCC(=O)OCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.75	CCCCC(=O)OCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.28	CCCC(=O)OCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.96	CCOC(=O)CCC(=O)OCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.66	CCOC(=O)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.82	CCOC(=O)CC(=O)OCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.04	CCOC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.74	CCOC(=O)C=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3	CCOC(=O)\C=C\c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3	CCOC(=O)\C=C\c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.96	CCCC[C@H](CC)COC(=O)c1ccccc1C(=O)OC[C@@H](CC)CCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.13	C=CCOC(=O)c1ccccc1C(=O)OCC=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.01	CC(C)COC=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.66	CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.21	CC(C)COC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.21	CC(C)COC(=O)C=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.63	CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.1	OC(=O)COc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.48	COCOC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.92	COc1ccc(C=O)c(C(=O)O)c1OC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.56	COc1cc(CC=C)ccc1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.05	COc1cc(ccc1O)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.96	COc1ccccc1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.16	COc1ccc2cc(ccc2c1)[C@H](C)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.92	COc1ccc(CC=C)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.49	COc1ccc(C=O)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.13	COc1ccc(\C=C\C)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.13	COc1ccc(\C=C\C)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.41	COC(=O)c1ccc(OC)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.85	COc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.58	COC=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.66	COC(=O)c1ccccc1C(=O)OC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.34	COC(=O)c1ccccc1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.24	COC(=O)c1cc(O)c(O)c(O)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.78	COC(=O)c1ccc(O)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.85	COC(=O)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.2	COC(=O)[C@@H]1[C@@H]2C[C@@H](C=C2)[C@@H]1C(=O)OC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.8	COC(=O)C(=C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.69	CCCCCCCCCCCC(=O)OC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.63	CCCCCCCCCC(=O)OC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.38	CCCCCCCCC(=O)OC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.39	CCCCCCCC(=O)OC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2	CCCCCC(=O)OC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.36	CCCCC(=O)OC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.82	CCCC(=O)OC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.14	CCC(=O)OC	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.52	COC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.22	COC(=O)C=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.19	O=Cc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.17	CCCCCCCCC=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.36	CCCCCCCC=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.7	CCCCCCC=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.3	CCCCCC=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.85	CCCCC=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.01	CCCC=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.58	CCC=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.6	CC(=O)OCC(COC(=O)C)OC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.34	CCCOC(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.55	CCOC(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.06	COC(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.1	CC(C)OC(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.63	CC(C)OC=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.55	CC(C)OC(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.57	C=CC=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.13	CCCC[C@@H](CC)C=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.52	CCC(CC)C=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.32	C\C=C\C=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.06	CC(=CCC\C(=C\C=O)\C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.32	C\C=C\C=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.46	CCC\C=C(/CC)\C=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.43	CCOC(C)OCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.92	Oc1cccc2c(O)cccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.73	Oc1c2ccccc2cc3ccccc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.78	Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.22	Oc1cccc2ccccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4	CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.11	C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@H]23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.66	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@]4(O)C#C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.99	C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.71	CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.51	CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.3	CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.97	C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@@H](O)[C@H]23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.57	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]2(O)C#C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.3	C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@]2(O)C#C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.58	CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@]12C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.37	CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@]12C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.21	C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.99	C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.57	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34O)[C@@H]1CC[C@]2(O)C#C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.43	Cc1cccc(O)c1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.05	Cc1cc(C)c(O)c(C)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.16	OC(=O)c1cc(O)c(O)c(O)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.19	Cc1ccc(O)c(C)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.54	Cc1ccc(C)c(O)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.22	CC(C)c1ccc(C)cc1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.08	CC(C)c1ccc(C)c(O)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.59	CCCCCCc1ccc(O)cc1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.31	Cc1cccc(C)c1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.39	Oc1ccccc1c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.36	CCc1ccccc1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.62	Cc1ccccc1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.86	Oc1ccccc1C=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.82	OC(=O)c1ccccc1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.62	Oc1ccccc1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.24	C[C@@]12CCc3c(ccc4cc(O)ccc34)[C@H]1CCC2=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.28	C[C@]12CC[C@H]3C(=CCc4cc(O)ccc34)[C@@H]1CCC2=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.96	C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC2=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.99	Oc1ccc2CCCCc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.28	Oc1ccc2ccccc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.41	Cc1ccc(O)cc1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.4	Cc1cc(C)cc(O)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.68	Cc1cccc(O)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.81	Oc1cccc(O)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.48	Oc1ccc(cc1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.82	CC(C)(c1ccc(O)cc1)c2ccc(O)cc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.41	CC(C)(C)c1ccc(O)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.7	Cc1ccc(O)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.95	Oc1ccc(cc1)[C@H](C=C)[C@H](C=C)c2ccc(O)cc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.43	CC[C@H]([C@H](CC)c1ccc(O)cc1)c2ccc(O)cc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.96	Oc1ccc(C=O)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.41	OC(=O)c1ccc(O)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.07	CC\C(=C(/CC)\c1ccc(O)cc1)\c2ccc(O)cc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.35	CC\C(=C(/CC)\c1ccc(O)cc1)\c2ccc(O)cc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.95	C\C=C(\C(=C\C)\c1ccc(O)cc1)/c2ccc(O)cc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.17	Oc1ccc(O)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0	Oc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.73	Oc1ccc(O)c(c1)C2(O)C=CC(=O)C=C2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.32	CC1(C)[C@H]2CC[C@]1(C)[C@@H](O)C2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.02	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.74	C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.37	C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.95	C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.35	C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.84	C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.95	C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.59	C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)C[C@@H](O)[C@H]23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.82	C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.35	C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.64	C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.24	C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.85	C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@]4(C[C@@H](O)[C@H]23)C=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.16	C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.12	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.65	CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.44	OC1CCCCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.88	OC1CCCCCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.29	OC1CCCCCCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.88	CC1CCC(O)CC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.53	CC(C)[C@H]1CC[C@H](C)C[C@@H]1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.47	CCCCC[C@@H](O)\C=C\[C@@H]1[C@@H](O)CC(=O)[C@H]1C\C=C\CCCC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.17	O[C@@H]1C[C@H](O)[C@@H](O)C(O)[C@H]1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.35	OC1C(O)C(O)C(O)C(O)C1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.21	OC(=O)C(O)(c1ccccc1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.27	CC[C@](C)(O)C(C)(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.72	CC(C)(C)C(C)(C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.72	CCCCCC(C)(C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.6	CCCC[C@@](C)(O)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.08	CCCCC(C)(C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1	CCC[C@@](C)(O)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.49	CCCC(C)(C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.99	CC(=CCC[C@](C)(O)C=C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.85	CCC(O)(CC)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.38	CCC(C)(O)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.08	CCC(C)(C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.92	CC(C)CC(C)(C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.51	OC(=O)CC(O)(CC(=O)O)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.89	CC[C@H](C)C(C)(C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.85	CC[C@](C)(O)C(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.41	CC(C)C(C)(C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.29	OCc1ccccc1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.2	Cc1ccc(CO)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.4	OCc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.52	CCCC(C)(C)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.04	CCC(C)(C)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.4	CC(C)(C)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.74	OCCc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.5	CC(C)(C)CCO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.38	OCCCc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.55	CC(C)(C)CCCO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-8.4	CCCCCCCCCCCCCCCCCCO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-7.26	CCCCCCCCCCCCCCCCO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.35	CCCCCCCCCCCCCCCO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.05	CCCCCCCCCCCCCCO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.67	CCCCCCCCCCCCO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.63	CCCCCCCCCCO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.01	CCCCCCCCCO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.39	CCCCCCCCO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.81	CCCCCCCO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.24	CCCCCCO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.6	CCCCCO	J. Chem. Inf. Model. 2007, 47, 1395-1404
0	CCCCO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.15	OCCCC=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.14	CC(C)CCCO	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.62	CCCO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.72	CC[C@H](C)CCO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.52	CC(C)CCO	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.1	CCO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.93	OC[C@H](C(=O)O)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.11	CCCC[C@H](CC)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.11	CCC[C@H](C)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.17	CCC(CC)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.47	CC[C@H](C)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.6	CC(C)C[C@H](C)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.04	CC(C)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.39	CC(C)[C@H](C)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.46	CC(=CCC\C(=C\CO)\C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.75	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.57	CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.55	OC(c1ccccc1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.85	O[C@H](C(=O)c1ccccc1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.15	CC[C@@H](O)C(C)(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.62	C[C@@H](O)C(C)(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.52	O[C@H](Cc1ccccc1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.94	CCCCCCCCC[C@@H](C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.74	CCCCCCC[C@@H](C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.09	CCCCCC[C@@H](C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.98	CCCCC[C@H](O)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.55	CCCCC[C@@H](C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.47	CCCC[C@H](O)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.89	CCCC[C@@H](C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.4	CCCC(O)CCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.8	CCC[C@H](O)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.29	CCC[C@@H](C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.59	CCC[C@@H](O)C=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.38	CC(C)CC[C@@H](C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.24	CCC(O)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.43	CC[C@@H](C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.8	CC(C)C[C@@H](C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.12	OCC(O)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.92	C[C@@H](O)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.43	CC(C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.72	CCCC[C@H](C)[C@@H](C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.72	CC[C@H](C)[C@@H](C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.54	CCC[C@@H](O)[C@H](CC)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.7	CC[C@@H](O)C(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.2	CC(C)[C@@H](C)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.22	CC(C)C(O)C(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.93	O[C@H]([C@H](O)c1ccccc1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.7	OC[C@@H](O)[C@@H](O)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.09	OC[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.8	CC(C)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@]3(C)C(=O)O)[C@@H]2CC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.42	CC1(C)[C@H](CC[C@@]1(C)C(=O)O)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.28	OC(=O)c1ccccc1c2ccccc2C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.06	Cc1ccccc1C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.11	OC(=O)c1ccccc1C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.14	Cc1cccc(c1)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.6	Cc1ccc(cc1)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.55	OC(=O)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.45	OC(=O)C1CCCCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.29	CC(C)(C(=O)O)[C@@](C)(CC(=O)O)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.06	OC(=O)C(=C)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.01	CC(=C)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.65	OC(=O)Cc1cccc2ccccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.89	OC(=O)Cc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.41	OC(=O)CCc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.68	CCCCCCCCCCCCCCCCCC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.81	CCCCCCCCCCCCCCCC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.31	CCCCCCCCCCCCCCC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.33	CCCCCCCCCCCCCC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.62	CCCCCCCCCCCC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.55	CCCCCCCCCCC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.44	CCCCCCCCCC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.4	OC(=O)CCCCCCCCC=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.75	CCCCCCCCC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.89	OC(=O)CCCCCCCC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.3	CCCCCCCC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.06	CCCCCC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.82	OC(=O)CCCCC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
1	OC(=O)CCCC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.19	CCCC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.06	OC(=O)CCC(=O)c1ccc(cc1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.2	OC(=O)CCC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.22	CC(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.22	OC(=O)C(c1ccccc1)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.86	CCCC(CCC)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.81	CCC(CC)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.7	C[C@H](C(=O)O)c1cccc(c1)C(=O)c2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.99	CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.28	CC(C)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.48	OC(=O)\C=C\c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.77	C\C=C\C=C\C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.48	OC(=O)\C=C\c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.77	C\C=C\C=C\C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.38	OC(=O)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.7	Cc1ccc(O)cc1O[P@@](=O)(Oc2ccc(O)cc2C)Oc3c(C)cccc3O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.01	Cc1ccc(O[P@](=O)(Oc2cccc(C)c2)Oc3ccccc3C)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.43	CCOP(=O)(OCC)OCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.65	CNC(=O)\C=C(\C)/OP(=O)(OC)OC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.38	c1ccc2c(c1)sc3ccccc23	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.94	CN1c2ccccc2Sc3ccc(CC(=O)O)cc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.98	OC1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C#N)CC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.22	COc1ccc2Sc3ccccc3N(C[C@H](C)CN(C)C)c2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.74	CN1CCC[C@H](CN2c3ccccc3Sc4ccccc24)C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.3	CN(C)CCCN1c2ccccc2Sc3ccccc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.26	C[C@@H](CN1c2ccccc2Sc3ccccc13)N(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.41	C[C@@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H]5S[C@H]5C[C@@]34C)[C@@H]1CC[C@H]2O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.07	Cc1cccc2sc3nncn3c12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.71	CCC(=O)N(c1ccccc1)C2(COC)CCN(CCc3cccs3)CC2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.59	CCc1cccs1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.64	CN(C)CCN(Cc1cccs1)c2ccccn2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.14	CC1=C(SCCO1)C(=O)Nc2ccccc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.43	CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.77	O=C1CSC(=S)N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.13	CN1CSC(=S)N(C)C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.39	Cc1ccsc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.47	OC(=O)c1ccsc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.45	c1ccsc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.5	c1ccc2scnc2c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.68	Cc1ccc2nc(sc2c1)c3ccc(N)cc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.87	CN(C(=O)COc1nc2ccccc2s1)c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.18	Sc1nc2ccccc2s1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.36	Nc1nccs1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.88	CN1C[C@H](O)N(C1=O)c2nnc(s2)C(C)(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.68	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.16	CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ccccn3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.64	O=C1NS(=O)(=O)c2ccccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-6.24	COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.28	CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@@]45CCC(=O)O5)[C@@H]13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.71	CCN1c2ccccc2N(C)C(=S)c3cccnc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.63	CCN1c2ncccc2N(C)C(=S)c3cccnc13	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.36	S=C1Nc2nccnc2C=N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.71	S=C1Nc2ncncc2N=C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.36	CCC[C@H](C)C1(CC)C(=O)NC(=S)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.46	CCC[C@@H](C)C1(CC=C)C(=O)NC(=S)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.71	S=C1NCCN1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.77	S=C1NC=Nc2nccnc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.26	O=C1NC(=S)NC=C1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.15	CCCC1=CC(=O)NC(=S)N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.43	CC1=CC(=O)NC(=S)N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.93	CN(C)C(=O)SCCCCOc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.58	CCCSCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.35	CCCCN(CC)C(=O)SCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.42	CSCC[C@@H](N)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.35	CN\C(=N/C#N)\NCCSCc1nc[nH]c1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.35	CN\C(=N/C#N)\NCCSCc1nc[nH]c1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.09	CCSCc1ccccc1OC(=O)NC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.34	CCSCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.4	CCSC(=O)N(CC)C1CCCCC1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.68	CCSC(=O)N(CC(C)C)CC(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.62	CNC(=O)O\N=C(\CSC)/C(C)(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.57	COP(=S)(OC)Oc1ccc(SC)c(C)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.39	CSc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.55	CSc1cnc2ncncc2n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.76	CSc1ncc2nccnc2n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.55	CSc1cnc2cncnc2n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.36	CSc1ncnc2nccnc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.68	CSc1nc(nc(n1)N(C)C)N(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.93	COCCCNc1nc(NC(C)C)nc(SC)n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4	CCNc1nc(NC(C)(C)C)nc(SC)n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.04	CCNc1nc(NC(C)C)nc(SC)n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.1	CSc1nc(NC(C)C)nc(NC(C)C)n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.25	CSC1=NN=C(C(=O)N1N)C(C)(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.45	CSC	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.11	CNC(=O)O\N=C(/SC)\C(=O)N(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.24	CC(C)SC(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.6	S=C=Nc1cccc2ccccc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.32	NC(=S)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.77	NC(=S)Nc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.46	CCNC(=S)NCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.12	Sc1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.71	Sc1cnc2ncncc2n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.77	Sc1ncc2nccnc2n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.45	Cc1cnc(S)nc1O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.26	Oc1ccnc(S)n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.43	Cc1cc(O)nc(S)n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.36	Sc1ncnc2nccnc12	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.27	SC1=NC=CC(=O)N1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.13	CC(C)(S)[C@@H](N)C(=O)O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.18	CCCCS	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.6	CCS	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.71	CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12)C(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.59	O[Sn](C1CCCCC1)(C2CCCCC2)C3CCCCC3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.98	CSCS(=O)C[C@@H](CO)NC(=O)\C=C\C1=C(C)NC(=O)NC1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.3	CCOP(=S)(OCC)Oc1ccc(cc1)S(=O)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.59	CC(=O)N(c1onc(C)c1C)S(=O)c2ccc(N)cc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.82	Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.04	CCS(=O)(=O)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.59	CC(=O)N(c1onc(C)c1C)S(=O)(=O)c2ccc(N)cc2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.16	CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.02	Cc1ccccc1S(=O)(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.74	Cc1ccc(cc1)S(=O)(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.36	Nc1ccc(cc1)S(=O)(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.61	CC(=O)Nc1ccc(cc1)S(=O)(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.56	NS(=O)(=O)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.81	CCOc1ccc2nc(sc2c1)S(=O)(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.36	CC(=O)Nc1nnc(s1)S(=O)(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.83	CN1N=C(S/C/1=N/C(=O)C)S(=O)(=O)N	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.85	Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.27	Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.44	Cc1oc(NS(=O)(=O)c2ccc(N)cc2)nc1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.82	Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.58	COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.7	Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.51	Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.7	Nc1ccc(cc1)S(=O)(=O)Nc2cnccn2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.24	Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.54	COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.96	COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.28	COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.32	Nc1ccc(cc1)S(=O)(=O)Nc2ccnn2c3ccccc3	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.62	Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.91	Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.43	Nc1ccc(cc1)S(=O)(=O)Nc2nccs2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.74	CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.94	CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.41	Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.2	CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.99	NC(=N)NS(=O)(=O)c1ccc(N)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.23	CC(=O)NS(=O)(=O)c1ccc(N)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.21	Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.06	CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.39	CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.18	CCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.05	CCCCNC(=O)NS(=O)(=O)c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.68	Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.66	COC(=O)NS(=O)(=O)c1ccc(N)cc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.42	CCO[C@@H]1Oc2ccc(OS(=O)(=O)C)cc2C1(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-0.83	C=CCSS(=O)CC=C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.35	CCOP(=S)(OCC)N1C(=O)c2ccccc2C1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.41	CCN[P@@](=S)(OC)O\C(=C\C(=O)OC(C)C)\C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.19	CCO[P@](=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.64	CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
0.54	CO[P@@](=O)(NC(=O)C)SC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.86	CCOP(=S)(OCC)O\N=C(/C#N)\c1ccccc1	J. Chem. Inf. Model. 2007, 47, 1395-1404
1.14	CNC(=O)[C@@H](C)SCCSP(=O)(OC)OC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.14	CCCCSP(=O)(SCCCC)SCCCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.15	CCCOP(=S)(OCCC)SCC(=O)N1CCCC[C@H]1C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.23	CCOP(=S)(OCC)SCCSCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.52	CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.76	CCOP(=S)(OCC)SCSC(C)(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.11	CCOP(=S)(OCC)SCSCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-5.54	CCOP(=S)(OCC)SCSP(=S)(OCC)OCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.09	CCSCCSP(=S)(OC)OC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2	COP(=S)(OC)SCC(=O)N(C)C=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.1	COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.37	CCOC(=O)C[C@H](SP(=S)(OC)OC)C(=O)OCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-2.42	CCSSCC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-1.44	CSSC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-4.86	CCN(CC)C(=S)SSC(=S)N(CC)CC	J. Chem. Inf. Model. 2007, 47, 1395-1404
-3.9	CN(C)C(=S)SSC(=S)N(C)C	J. Chem. Inf. Model. 2007, 47, 1395-1404