smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[P@](=O)([O-])C[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000028563203	563057654	/nfs/dbraw/zinc/05/76/54/563057654.db2.gz	WKMSOAQATBFEBB-NXEZZACHSA-N	-3	0	438.351	1.055	1	5		IDBFRL
O=C([O-])c1cn2c(n1)CN(c1cc3c(cc1[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3C1CC1)CC2	ZINC000040391692	563099816	/nfs/dbraw/zinc/09/98/16/563099816.db2.gz	WAZNWXUMTDZEQQ-UHFFFAOYSA-N	-2	0	439.384	1.858	1	5		IDBFRL
O=C([O-])c1cn2c(n1)CN(c1nc3c(cc1[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3C1CC1)CC2	ZINC000028868370	563067401	/nfs/dbraw/zinc/06/74/01/563067401.db2.gz	UPPUJBAJKHRXOA-UHFFFAOYSA-N	-2	0	440.372	1.253	1	5		IDBFRL