smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C	ZINC000012476641	436051166	/nfs/dbraw/zinc/05/11/66/436051166.db2.gz	MEWCOUFEVMLROZ-UHFFFAOYSA-N	-2	3	340.317	0.389	40	5		ECBBHL
COC(=O)c1[n-]nc(-c2n[n-]c(C(=O)OC)c2[N+](=O)[O-])c1[N+](=O)[O-]	ZINC000008763900	436032026	/nfs/dbraw/zinc/03/20/26/436032026.db2.gz	ZBEHDGJBGCQKFT-UHFFFAOYSA-N	-2	3	340.208	0.189	40	5		ECBBHL
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000036716303	213113742	/nfs/dbraw/zinc/11/37/42/213113742.db2.gz	BGOAQRLIMVSLJE-UHFFFAOYSA-N	-2	3	326.290	0.081	40	5		ECBBHL
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1	ZINC000032185011	436235428	/nfs/dbraw/zinc/23/54/28/436235428.db2.gz	PLCKWLMQQQLKLU-UHFFFAOYSA-N	-2	3	326.290	0.081	40	5		ECBBHL
Cc1c([N-]S(=O)(=O)c2c[nH]c(=O)[n-]c2=O)cccc1[N+](=O)[O-]	ZINC000223283718	436705437	/nfs/dbraw/zinc/70/54/37/436705437.db2.gz	IDXQRBYHORFWPD-UHFFFAOYSA-N	-2	3	326.290	0.081	40	5		ECBBHL
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1c(C)[nH]c(=O)[n-]c1=O	ZINC000223284860	436705512	/nfs/dbraw/zinc/70/55/12/436705512.db2.gz	DWFFZULLIPGVTN-UHFFFAOYSA-N	-2	3	340.317	0.389	40	5		ECBBHL
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(C)[nH]c(=O)[n-]c1=O	ZINC000223284694	436704372	/nfs/dbraw/zinc/70/43/72/436704372.db2.gz	AUBPYXBRFHUXHT-UHFFFAOYSA-N	-2	3	340.317	0.389	40	5		ECBBHL
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000223283622	436704590	/nfs/dbraw/zinc/70/45/90/436704590.db2.gz	GQPXFGIKPZMYHC-UHFFFAOYSA-N	-2	3	326.290	0.081	40	5		ECBBHL