smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc([C@@H]2[NH2+][C@@](CC(C)C)(C(=O)[O-])[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c1[O-]	ZINC000004077694	194375134	/nfs/dbraw/zinc/37/51/34/194375134.db2.gz	JRTOHKDXBKZGGE-AJGMTHFWSA-N	-1	3	452.507	2.716	2	10		JFCFHM
CO[C@]12[C@H]3N[C@H]3CN1c1c(c([O-])c(/N=N/C(=O)OCc3ccccc3)c(C)c1O)[C@H]2COC(N)=O	ZINC000053151223	563205066	/nfs/dbraw/zinc/20/50/66/563205066.db2.gz	AXGBSUCVULPQGO-QKKCJLRLSA-N	-1	3	483.481	2.522	1	10		JFCFHM
COc1ccc([O-])c([C@@H]2[NH2+][C@@](CC(C)C)(C(=O)[O-])[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c1	ZINC000004436237	524768227	/nfs/dbraw/zinc/76/82/27/524768227.db2.gz	WVCURKQSINRASS-AIFLQVKLSA-N	-1	3	452.507	2.716	2	10		JFCFHM