smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc2c(-c3ccc4c(c3[O-])[C@@H](C)[NH2+][C@H](C)C4)c(C)cc(OC)c12	ZINC000003872315	204021764	/nfs/dbraw/zinc/02/17/64/204021764.db2.gz	MXIZZLBQRBAZEX-HUUCEWRRSA-N	0	1	377.484	5.133	10	10	biogenic,in-vitro	GKCEMN
CC1CC[NH+](Cc2cc(CSc3ccccc3)c3cccnc3c2[O-])CC1	ZINC000059386153	222057487	/nfs/dbraw/zinc/05/74/87/222057487.db2.gz	FLPSJSVKPAIUMO-UHFFFAOYSA-N	0	1	378.541	5.465	10	10		GKCEMN
CC(C)(C)C1=CC(=NNc2cccc(Cl)c2Cl)C(=O)C(C(C)(C)C)=C1	ZINC000100030378	208369670	/nfs/dbraw/zinc/36/96/70/208369670.db2.gz	WKGHHKSBPRHOJW-WCWDXBQESA-N	0	1	379.331	7.709	10	10		GKCEMN
[O-]c1ccc(-c2ccnc3cc(Cl)ccc32)cc1C[NH2+]CCc1ccccc1	ZINC000299777924	222787169	/nfs/dbraw/zinc/78/71/69/222787169.db2.gz	ORTPZGGTUZCSBW-UHFFFAOYSA-N	0	1	388.898	5.593	10	10		GKCEMN