smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)c1	ZINC000006089030	568995396	/nfs/dbraw/zinc/99/53/96/568995396.db2.gz	RXNNDJRFAHJSAM-UHFFFAOYSA-N	-1	2	424.412	2.501	50	5		HFBALM
O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)N1CCCCC1	ZINC000012507969	568839928	/nfs/dbraw/zinc/83/99/28/568839928.db2.gz	MKSAEYMKMIYLDL-UHFFFAOYSA-N	-1	2	405.432	2.727	50	5		HFBALM
O=C([O-])c1ccc(-c2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])o2)cc1Cl	ZINC000005063144	559239365	/nfs/dbraw/zinc/23/93/65/559239365.db2.gz	JXXCOXAGQKJLCL-GORDUTHDSA-N	-1	2	403.734	2.753	50	5		HFBALM
CSCC[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000005671335	560772049	/nfs/dbraw/zinc/77/20/49/560772049.db2.gz	BJIMQCBKRAEPBP-CQSZACIVSA-N	-1	2	410.473	2.746	50	5		HFBALM
O=C([O-])c1cc(-c2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])o2)ccc1Cl	ZINC000006480352	569059219	/nfs/dbraw/zinc/05/92/19/569059219.db2.gz	JLYPAIQSUYMBRQ-GORDUTHDSA-N	-1	2	403.734	2.753	50	5		HFBALM