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-])c1cc(NC(=S)NCCO)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc21	ZINC000028862468	563083261	/nfs/dbraw/zinc/08/32/61/563083261.db2.gz	RVDKKVUJQIHRCB-UHFFFAOYSA-N	-1	2	450.472	3.247	1	5		JGBFLM
NC(=[NH2+])c1ccc2nc(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4ccccc4[N+](=O)[O-])c3O)[nH]c2c1	ZINC000014955449	563007418	/nfs/dbraw/zinc/00/74/18/563007418.db2.gz	PFMNUTNXLWAKMB-CQSZACIVSA-N	-1	2	489.444	3.438	1	5		JGBFLM
NC(=[NH2+])c1ccc2nc(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4ccccc4[N+](=O)[O-])c3O)[nH]c2c1	ZINC000014956833	563007677	/nfs/dbraw/zinc/00/76/77/563007677.db2.gz	PFMNUTNXLWAKMB-AWEZNQCLSA-N	-1	2	489.444	3.438	1	5		JGBFLM