smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000003657054	568923093	/nfs/dbraw/zinc/92/30/93/568923093.db2.gz	DBIQKXUXPICCNR-RYUDHWBXSA-N	-1	0	423.338	-0.448	50	5		HBBARM
NC(=O)C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000003657055	568923081	/nfs/dbraw/zinc/92/30/81/568923081.db2.gz	DBIQKXUXPICCNR-NWDGAFQWSA-N	-1	0	423.338	-0.448	50	5		HBBARM
NC(=O)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000003657056	560595524	/nfs/dbraw/zinc/59/55/24/560595524.db2.gz	DBIQKXUXPICCNR-NEPJUHHUSA-N	-1	0	423.338	-0.448	50	5		HBBARM
NC(=O)C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000003657057	560595550	/nfs/dbraw/zinc/59/55/50/560595550.db2.gz	DBIQKXUXPICCNR-VXGBXAGGSA-N	-1	0	423.338	-0.448	50	5		HBBARM
COc1ccc(S(=O)(=O)n2nc(Br)c(=O)[n-]c2=O)cc1[N+](=O)[O-]	ZINC000009128293	571226988	/nfs/dbraw/zinc/22/69/88/571226988.db2.gz	DUIOIKQHGFLBNT-UHFFFAOYSA-N	-1	0	407.158	-0.152	50	5		HBBARM
Cc1c(C)[n+]([O-])c([C@H](c2ccc([N+](=O)[O-])cc2)c2c([O-])[nH]c(=O)[nH]c2=O)n1CCO	ZINC000524732610	569213189	/nfs/dbraw/zinc/21/31/89/569213189.db2.gz	RFUJLYBLEIXAMB-CYBMUJFWSA-N	-1	0	417.378	-0.247	50	5		HBBARM
Cc1c(C)[n+]([O-])c([C@@H](c2ccc([N+](=O)[O-])cc2)c2c([O-])[nH]c(=O)[nH]c2=O)n1CCO	ZINC000524732612	569213200	/nfs/dbraw/zinc/21/32/00/569213200.db2.gz	RFUJLYBLEIXAMB-ZDUSSCGKSA-N	-1	0	417.378	-0.247	50	5		HBBARM