smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[NH2+][C@@H](C)[C@]1(O)Cc2c(O)c3c(c([O-])c2[C@H](O[C@@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	ZINC000005437725	552502211	/nfs/dbraw/zinc/50/22/11/552502211.db2.gz	JWZVNWMCWYGOAJ-CLPHVIJISA-N	1	3	584.666	2.218	40	10		KECBHO
CCCC[NH2+][C@H](C)[C@]1(O)Cc2c(O)c3c(c([O-])c2[C@H](O[C@@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	ZINC000005437728	552502293	/nfs/dbraw/zinc/50/22/93/552502293.db2.gz	JWZVNWMCWYGOAJ-GGPDAKACSA-N	1	3	584.666	2.218	40	10		KECBHO
CCCC[NH2+][C@@H](C)[C@@]1(O)Cc2c(O)c3c(c([O-])c2[C@H](O[C@@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	ZINC000005437730	552502284	/nfs/dbraw/zinc/50/22/84/552502284.db2.gz	JWZVNWMCWYGOAJ-RCFJUZOUSA-N	1	3	584.666	2.218	40	10		KECBHO
CCCC[NH2+][C@H](C)[C@@]1(O)Cc2c(O)c3c(c([O-])c2[C@H](O[C@@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	ZINC000005437731	552502270	/nfs/dbraw/zinc/50/22/70/552502270.db2.gz	JWZVNWMCWYGOAJ-GQDLJTMDSA-N	1	3	584.666	2.218	40	10		KECBHO