smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(/N=N/c2nc(C(=O)[O-])c(C(=O)[O-])[n-]2)cc1	ZINC000005334170	181230716	/nfs/dbraw/zinc/23/07/16/181230716.db2.gz	HQKQBHVAENDJCC-WUKNDPDISA-N	-3	0	303.278	2.288	40	10		DECBRL
O=C([O-])[C@@H]1Nc2c([O-])cc(Cl)c([N+](=O)[O-])c2[C@H]2C=CC[C@@H]21	ZINC000004539520	304154701	/nfs/dbraw/zinc/15/47/01/304154701.db2.gz	WGUAPOVFDKLQGB-JFWOZONXSA-N	-2	0	310.693	2.492	40	10	biogenic,in-vitro	DECBRL
O=C([O-])/C=C/c1c2ccc([O-])c(O)c2oc2c(O)c(=O)ccc1-2	ZINC000003954334	304023511	/nfs/dbraw/zinc/02/35/11/304023511.db2.gz	HVUVBNCTBKJHHZ-ZZXKWVIFSA-N	-2	0	314.249	2.112	40	10	in-vivo	DECBRL
O=C([O-])CCc1c2ccc([O-])c(O)c2oc2c(O)c(=O)ccc1-2	ZINC000003954336	304064203	/nfs/dbraw/zinc/06/42/03/304064203.db2.gz	OCMFSQMNSIPSJS-UHFFFAOYSA-N	-2	0	316.265	2.032	40	10	aggregator,in-vitro	DECBRL
CC(=O)c1c(CC(=O)[O-])[n-]n(-c2nc3ccccc3s2)c1=O	ZINC000103567438	402192087	/nfs/dbraw/zinc/19/20/87/402192087.db2.gz	YJHHUMAQRIUURV-KPKJPENVSA-N	-2	0	317.326	2.306	40	10		DECBRL
O=C([O-])[C@@H]1Nc2c([O-])cc(Cl)c([N+](=O)[O-])c2[C@H]2C=CC[C@H]21	ZINC000000084465	304154890	/nfs/dbraw/zinc/15/48/90/304154890.db2.gz	WGUAPOVFDKLQGB-BAJZRUMYSA-N	-2	0	310.693	2.492	40	10	biogenic,in-vitro	DECBRL
O=C([O-])[C@@H]1Nc2c([O-])cc(Cl)c([N+](=O)[O-])c2[C@@H]2C=CC[C@H]21	ZINC000004539522	304154779	/nfs/dbraw/zinc/15/47/79/304154779.db2.gz	WGUAPOVFDKLQGB-OXOINMOOSA-N	-2	0	310.693	2.492	40	10	biogenic,in-vitro	DECBRL
O=C1C=CC(=NNc2cc(S(=O)(=O)[O-])ccc2O)C([O-])=C1	ZINC000104181039	402199414	/nfs/dbraw/zinc/19/94/14/402199414.db2.gz	NOYGQBBPVKLDQU-YPKPFQOOSA-N	-2	0	310.287	2.466	40	10		DECBRL
O=C1C=C([O-])C(=NNc2ccc(S(=O)(=O)[O-])cc2)C([O-])=C1	ZINC000004804117	181153910	/nfs/dbraw/zinc/15/39/10/181153910.db2.gz	VZNWXPSRHNOUOI-BUHFOSPRSA-N	-3	0	310.287	2.466	40	10		DECBRL
O=C1C=C([O-])C(=NNc2ccc(S(=O)(=O)[O-])cc2)C([O-])=C1	ZINC000104366603	194002554	/nfs/dbraw/zinc/00/25/54/194002554.db2.gz	VZNWXPSRHNOUOI-YPKPFQOOSA-N	-3	0	310.287	2.466	40	10		DECBRL
O=C([O-])/C=C\c1c2ccc([O-])c(O)c2oc2c(O)c(=O)ccc1-2	ZINC000013099304	304024130	/nfs/dbraw/zinc/02/41/30/304024130.db2.gz	HVUVBNCTBKJHHZ-UTCJRWHESA-N	-2	0	314.249	2.112	40	10	in-vitro	DECBRL
COc1ccc(-c2ccc(CCC(=O)[O-])n2CC(=O)[O-])cc1	ZINC000000339393	295046641	/nfs/dbraw/zinc/04/66/41/295046641.db2.gz	CZSPARFVMBPFLL-UHFFFAOYSA-N	-2	0	303.314	2.266	40	10		DECBRL
O=C([O-])[C@@H]1Nc2c([O-])cc(Cl)c([N+](=O)[O-])c2[C@@H]2C=CC[C@@H]21	ZINC000004539517	304154803	/nfs/dbraw/zinc/15/48/03/304154803.db2.gz	WGUAPOVFDKLQGB-GOZTUDAPSA-N	-2	0	310.693	2.492	40	10	biogenic,in-vitro	DECBRL
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/NC(=O)[N-]C2=O)o1	ZINC000027910515	401848131	/nfs/dbraw/zinc/84/81/31/401848131.db2.gz	DVTHIIQZOVTJDC-KPKJPENVSA-N	-2	0	312.281	2.134	40	10		DECBRL