smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)n3c(=N)nc(OS(=O)(=O)[O-])c(N)c3N)cc12	ZINC001184356959	1068784527	/nfs/dbraw/zinc/78/45/27/1068784527.db2.gz	QGOHUPDXZOVFEJ-UHFFFAOYSA-N	-2	1	480.459	-0.399	20	10		JBCDML
COC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(C(=O)[O-])nc3c2-c2[n-]c(C(=O)[O-])cc2C(=O)C3=O)C[NH2+]1	ZINC001219968029	1069543891	/nfs/dbraw/zinc/54/38/91/1069543891.db2.gz	SVSXOUFJPDGMFD-KBUNVGBDSA-N	-2	1	456.367	-0.515	20	10		JBCDML
O=C([O-])c1cc2c([nH]1)-c1c(C(=O)NCCN3CCNCC3=O)cc(C(=O)[O-])nc1C(=O)C2=O	ZINC001220876804	1069572987	/nfs/dbraw/zinc/57/29/87/1069572987.db2.gz	OTBFTLWDHFJHEE-UHFFFAOYSA-N	-2	1	455.383	-0.986	20	10		JBCDML