smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)[C@H](O)Cc1c(O)c([O-])cc2oc3cc(O)cc(=O)c-3c([O-])c21	ZINC000014763105	201058422	/nfs/dbraw/zinc/05/84/22/201058422.db2.gz	GONMHOQVFDWXLV-SNVBAGLBSA-N	-2	3	344.319	2.248	1	30	in-vitro	EEEFHL
C=C(C)[C@H](O)Cc1c(O)c([O-])cc2oc3cc([O-])cc(O)c3c(=O)c21	ZINC000014763105	201058425	/nfs/dbraw/zinc/05/84/25/201058425.db2.gz	GONMHOQVFDWXLV-SNVBAGLBSA-N	-2	3	344.319	2.248	1	30	in-vitro	EEEFHL
CCCCCCCCC[NH2+]CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000071315827	203091805	/nfs/dbraw/zinc/09/18/05/203091805.db2.gz	DXTYOSQHSRZDRD-UHFFFAOYSA-N	-3	3	331.286	2.008	1	30		EEEFHL
CCCCCCCC[S@@+](C)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000034803952	581096924	/nfs/dbraw/zinc/09/69/24/581096924.db2.gz	HJUIIHFOXRYVDU-FQEVSTJZSA-O	-3	3	349.346	2.277	1	30		EEEFHL
CCCCCCCC[S@+](C)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000034803955	581096821	/nfs/dbraw/zinc/09/68/21/581096821.db2.gz	HJUIIHFOXRYVDU-HXUWFJFHSA-O	-3	3	349.346	2.277	1	30		EEEFHL
COc1c2c(c([O-])c3c1C([O-])=C(OC)C(=O)C3=O)[C@@H](C)O[C@H](C)C2	ZINC000040407143	213299797	/nfs/dbraw/zinc/29/97/97/213299797.db2.gz	UIBXAMHOHCDVSB-RNFRBKRXSA-N	-2	3	334.324	2.218	1	30		EEEFHL
COc1c2c(c([O-])c3c1C(=O)C(OC)=C([O-])C3=O)[C@@H](C)O[C@H](C)C2	ZINC000040407143	213299800	/nfs/dbraw/zinc/29/98/00/213299800.db2.gz	UIBXAMHOHCDVSB-RNFRBKRXSA-N	-2	3	334.324	2.218	1	30		EEEFHL
O=C(CCCCCCN1C(=O)/C(=N\[O-])c2cc(Cl)ccc21)N[O-]	ZINC000103294343	204072796	/nfs/dbraw/zinc/07/27/96/204072796.db2.gz	FBRYAWBKACNJBY-JXAWBTAJSA-N	-2	3	339.779	2.321	1	30		EEEFHL
C=C(C)[C@@H](O)Cc1c(O)c([O-])cc2oc3cc(O)cc(=O)c-3c([O-])c21	ZINC000014763103	560225743	/nfs/dbraw/zinc/22/57/43/560225743.db2.gz	GONMHOQVFDWXLV-JTQLQIEISA-N	-2	3	344.319	2.248	1	30	in-vitro	EEEFHL
C=C(C)[C@@H](O)Cc1c(O)c([O-])cc2oc3cc([O-])cc(O)c3c(=O)c21	ZINC000014763103	560225744	/nfs/dbraw/zinc/22/57/44/560225744.db2.gz	GONMHOQVFDWXLV-JTQLQIEISA-N	-2	3	344.319	2.248	1	30	in-vitro	EEEFHL
O=C([O-])/C=C1\CN([C@H](C(=O)[O-])c2ccccc2Cl)CC[C@H]1S	ZINC000053229815	214171444	/nfs/dbraw/zinc/17/14/44/214171444.db2.gz	GZZDPOCSWMTUJU-ODAKQPGBSA-N	-2	3	341.816	2.481	1	30		EEEFHL
O=C([O-])/C=C1\CN([C@H](C(=O)[O-])c2ccccc2Cl)CC[C@@H]1S	ZINC000053229813	214171709	/nfs/dbraw/zinc/17/17/09/214171709.db2.gz	GZZDPOCSWMTUJU-VWZQRQAESA-N	-2	3	341.816	2.481	1	30		EEEFHL
O=C(CCCCCCN1C(=O)/C(=N\[O-])c2cccc(Cl)c21)N[O-]	ZINC000103292929	219285493	/nfs/dbraw/zinc/28/54/93/219285493.db2.gz	KBQJCHJMAAJXLR-AQTBWJFISA-N	-2	3	339.779	2.321	1	30		EEEFHL
COc1c2c(c([O-])c3c1C([O-])=C(OC)C(=O)C3=O)[C@H](C)O[C@H](C)C2	ZINC000040407137	213300376	/nfs/dbraw/zinc/30/03/76/213300376.db2.gz	UIBXAMHOHCDVSB-RQJHMYQMSA-N	-2	3	334.324	2.218	1	30	biogenic,in-vitro	EEEFHL
COc1c2c(c([O-])c3c1C(=O)C(OC)=C([O-])C3=O)[C@H](C)O[C@H](C)C2	ZINC000040407137	213300379	/nfs/dbraw/zinc/30/03/79/213300379.db2.gz	UIBXAMHOHCDVSB-RQJHMYQMSA-N	-2	3	334.324	2.218	1	30	biogenic,in-vitro	EEEFHL
O=C([O-])[C@@H]1Cc2ccc([O-])c3c2C(=Cc2ccc(O)c([O-])c2O3)C1=O	ZINC000014690036	560100867	/nfs/dbraw/zinc/10/08/67/560100867.db2.gz	AMPDZVASNOBSQZ-SNVBAGLBSA-N	-3	3	340.287	2.276	1	30	endogenous,in-man	EEEFHL
O=C([O-])C(=O)C=C([O-])c1cccc(NC(=O)c2ccccc2[O-])c1	ZINC000101628596	204014770	/nfs/dbraw/zinc/01/47/70/204014770.db2.gz	ZZIQWIGKZWJIBJ-DHDCSXOGSA-N	-3	3	327.292	2.354	1	30		EEEFHL
COc1c2c(c([O-])c3c1C([O-])=C(OC)C(=O)C3=O)[C@@H](C)O[C@@H](C)C2	ZINC000040407146	213299996	/nfs/dbraw/zinc/29/99/96/213299996.db2.gz	UIBXAMHOHCDVSB-NKWVEPMBSA-N	-2	3	334.324	2.218	1	30		EEEFHL
COc1c2c(c([O-])c3c1C(=O)C(OC)=C([O-])C3=O)[C@@H](C)O[C@@H](C)C2	ZINC000040407146	213299998	/nfs/dbraw/zinc/29/99/98/213299998.db2.gz	UIBXAMHOHCDVSB-NKWVEPMBSA-N	-2	3	334.324	2.218	1	30		EEEFHL