smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CCC/C(=C\c1cccc([O-])c1)c1nc2ccccc2s1	ZINC000007336312	201056380	/nfs/dbraw/zinc/05/63/80/201056380.db2.gz	WBPUBROMCHFIKB-SDNWHVSQSA-N	-2	3	339.416	4.797	50	0		EJAAHL
O=c1c2c([O-])cc([O-])cc2oc(-c2ccccc2)c1-c1ccccc1	ZINC000000084913	563219712	/nfs/dbraw/zinc/21/97/12/563219712.db2.gz	CACAEUOJNKVOJD-UHFFFAOYSA-N	-2	3	330.339	4.538	50	0		EJAAHL
O=C([O-])c1c2ccccc2nc2c1CCC/C2=C\c1ccc([O-])cc1	ZINC000003885077	210083517	/nfs/dbraw/zinc/08/35/17/210083517.db2.gz	RBZGMDZGZGUXIP-WYMLVPIESA-N	-2	3	331.371	4.516	50	0		EJAAHL
[O-]c1ccc(/C=C/c2ccc3cccc([O-])c3n2)cc1Br	ZINC000015015612	563772215	/nfs/dbraw/zinc/77/22/15/563772215.db2.gz	LYRHKHXPDLTBIP-QPJJXVBHSA-N	-2	3	342.192	4.579	50	0		EJAAHL
O=C([O-])c1cc2ccccc2c(Cc2c([O-])ccc3ccccc32)c1O	ZINC000044122913	563926152	/nfs/dbraw/zinc/92/61/52/563926152.db2.gz	HLWNYNJVWZLKCP-UHFFFAOYSA-N	-2	3	344.366	4.693	50	0		EJAAHL
O=C([O-])CCCCCCCCCCCCCCCP(=O)([O-])[O-]	ZINC000045074620	563928894	/nfs/dbraw/zinc/92/88/94/563928894.db2.gz	JVXYHUCXFLBBGA-UHFFFAOYSA-N	-3	3	336.409	4.710	50	0		EJAAHL
O=C([O-])c1c2ccccc2nc2c1CCC/C2=C\c1cccc([O-])c1	ZINC000007718291	564122224	/nfs/dbraw/zinc/12/22/24/564122224.db2.gz	RBPJEELVFJKSNT-SDNWHVSQSA-N	-2	3	331.371	4.516	50	0		EJAAHL
[O-]c1ccccc1-c1cc(-c2ccccc2[O-])nc(-c2ccccc2)n1	ZINC000003075246	563918774	/nfs/dbraw/zinc/91/87/74/563918774.db2.gz	IOGNJAKULBEEEN-UHFFFAOYSA-N	-2	3	340.382	4.889	50	0		EJAAHL