smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4C(=O)C[C@@H](C)[C@@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C([O-])=C1C(=O)C[C@H](C)[C@@H]2O	ZINC000150562597	562844931	/nfs/dbraw/zinc/84/49/31/562844931.db2.gz	NFZJAYYORNVZNI-BCOCQYLDSA-N	-1	2	638.578	1.851	10	30		KDEELM
COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C([O-])=C4C(=O)C[C@@H](C)[C@@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C(=O)C1C(=O)C[C@H](C)[C@@H]2O	ZINC000150562597	562844930	/nfs/dbraw/zinc/84/49/30/562844930.db2.gz	NFZJAYYORNVZNI-BCOCQYLDSA-N	-1	2	638.578	1.851	10	30		KDEELM
COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4C(=O)C[C@H](C)[C@@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C([O-])=C1C(=O)C[C@H](C)[C@@H]2O	ZINC000150562601	562844934	/nfs/dbraw/zinc/84/49/34/562844934.db2.gz	NFZJAYYORNVZNI-JKTHDUNSSA-N	-1	2	638.578	1.851	10	30		KDEELM
COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C([O-])=C4C(=O)C[C@H](C)[C@@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C(=O)C1C(=O)C[C@H](C)[C@@H]2O	ZINC000150562601	562844933	/nfs/dbraw/zinc/84/49/33/562844933.db2.gz	NFZJAYYORNVZNI-JKTHDUNSSA-N	-1	2	638.578	1.851	10	30		KDEELM
COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4C(=O)C[C@@H](C)[C@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C([O-])=C1C(=O)C[C@H](C)[C@@H]2O	ZINC000195289078	562871631	/nfs/dbraw/zinc/87/16/31/562871631.db2.gz	NFZJAYYORNVZNI-PBAWWTFPSA-N	-1	2	638.578	1.851	10	30		KDEELM
COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C([O-])=C4C(=O)C[C@@H](C)[C@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C(=O)C1C(=O)C[C@H](C)[C@@H]2O	ZINC000195289078	562871630	/nfs/dbraw/zinc/87/16/30/562871630.db2.gz	NFZJAYYORNVZNI-PBAWWTFPSA-N	-1	2	638.578	1.851	10	30		KDEELM