smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc([C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C(=O)[O-])c1	ZINC000790614238	1078076264	/nfs/dbraw/zinc/07/62/64/1078076264.db2.gz	XVTCDGUXVIJGOJ-OAHLLOKOSA-N	-2	3	423.403	2.532	20	5		HFBDHL
Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c(C)c1[N+](=O)[O-]	ZINC000790394775	1078014334	/nfs/dbraw/zinc/01/43/34/1078014334.db2.gz	SPLDYTXEFIGJRS-UHFFFAOYSA-N	-2	3	413.339	2.758	20	5		HFBDHL
Cc1ccc([C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C(=O)[O-])cc1	ZINC000790612422	1078075911	/nfs/dbraw/zinc/07/59/11/1078075911.db2.gz	OHEYUGBVTWTZIJ-OAHLLOKOSA-N	-2	3	423.403	2.532	20	5		HFBDHL
Cc1ccc([C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C(=O)[O-])cc1	ZINC000790612421	1078075930	/nfs/dbraw/zinc/07/59/30/1078075930.db2.gz	OHEYUGBVTWTZIJ-HNNXBMFYSA-N	-2	3	423.403	2.532	20	5		HFBDHL
Cc1cccc([C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C(=O)[O-])c1	ZINC000790614234	1078076200	/nfs/dbraw/zinc/07/62/00/1078076200.db2.gz	XVTCDGUXVIJGOJ-HNNXBMFYSA-N	-2	3	423.403	2.532	20	5		HFBDHL
Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c(C)c1[N+](=O)[O-]	ZINC000790386307	1078011897	/nfs/dbraw/zinc/01/18/97/1078011897.db2.gz	WKRLHANNFALFRN-UHFFFAOYSA-N	-2	3	413.339	2.758	20	5		HFBDHL