smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)[N-]n2c(C)cc3ccc(S(=O)(=O)Nc4ccccc4[N+](=O)[O-])cc3c2=O)cc1	ZINC000005579136	561696730	/nfs/dbraw/zinc/69/67/30/561696730.db2.gz	VBOFASVFTIXMLJ-UHFFFAOYSA-N	-1	2	528.568	3.260	1	5		KGBFLM
NC(=[NH2+])c1ccc2nc(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc([N+](=O)[O-])ccc4O)c3O)[nH]c2c1	ZINC000014956768	561747873	/nfs/dbraw/zinc/74/78/73/561747873.db2.gz	QULCDCSDZRDMGW-CYBMUJFWSA-N	-1	2	505.443	3.143	1	5		KGBFLM
NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc([N+](=O)[O-])ccc4O)c3O)nc2c1	ZINC000014956768	561747872	/nfs/dbraw/zinc/74/78/72/561747872.db2.gz	QULCDCSDZRDMGW-CYBMUJFWSA-N	-1	2	505.443	3.143	1	5		KGBFLM
NC(=[NH2+])c1ccc2nc(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc([N+](=O)[O-])ccc4O)c3O)[nH]c2c1	ZINC000014956772	561747855	/nfs/dbraw/zinc/74/78/55/561747855.db2.gz	QULCDCSDZRDMGW-ZDUSSCGKSA-N	-1	2	505.443	3.143	1	5		KGBFLM
NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc([N+](=O)[O-])ccc4O)c3O)nc2c1	ZINC000014956772	561747853	/nfs/dbraw/zinc/74/78/53/561747853.db2.gz	QULCDCSDZRDMGW-ZDUSSCGKSA-N	-1	2	505.443	3.143	1	5		KGBFLM
CS(=O)(=O)Nc1ccc(NC(=O)c2nn(-c3cccc([N+](=O)[O-])c3)c3c2[N-]S(=O)(=O)c2ccccc2-3)cc1	ZINC000095583155	562772815	/nfs/dbraw/zinc/77/28/15/562772815.db2.gz	YYKBSNXTZSUGBQ-UHFFFAOYSA-N	-1	2	554.566	3.186	1	5		KGBFLM
O=C(Cc1cc(=O)oc2cc(O)ccc12)N[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)NCCCNC(=O)c1c2ccccc2[nH]c2cc(O)cc(=O)c1-2	ZINC000095608378	562783526	/nfs/dbraw/zinc/78/35/26/562783526.db2.gz	HGIZLXNDEHKABI-GDLZYMKVSA-N	-1	2	756.661	3.289	1	5		KGBFLM
O=C(Cc1cc(=O)oc2cc(O)ccc12)N[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)NCCCNC(=O)c1c2ccccc2[nH]c2cc(O)cc(=O)c1-2	ZINC000095608378	562783525	/nfs/dbraw/zinc/78/35/25/562783525.db2.gz	HGIZLXNDEHKABI-GDLZYMKVSA-N	-1	2	756.661	3.289	1	5		KGBFLM
O=C(Cc1cc(=O)oc2cc(O)ccc12)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)NCCCNC(=O)c1c2ccccc2[nH]c2cc(O)cc(=O)c1-2	ZINC000095608379	562783511	/nfs/dbraw/zinc/78/35/11/562783511.db2.gz	HGIZLXNDEHKABI-LJAQVGFWSA-N	-1	2	756.661	3.289	1	5		KGBFLM
O=C(Cc1cc(=O)oc2cc(O)ccc12)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)NCCCNC(=O)c1c2ccccc2[nH]c2cc(O)cc(=O)c1-2	ZINC000095608379	562783510	/nfs/dbraw/zinc/78/35/10/562783510.db2.gz	HGIZLXNDEHKABI-LJAQVGFWSA-N	-1	2	756.661	3.289	1	5		KGBFLM