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([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1	ZINC000339209144	475041736	/nfs/dbraw/zinc/04/17/36/475041736.db2.gz	WFFFDQGNMRFTJJ-UHFFFAOYSA-N	-2	1	328.733	2.755	10	5		EFBEML
O=C([N-]c1cc([N+](=O)[O-])ccc1[O-])c1noc(-c2ccc(F)cc2)n1	ZINC001295970292	1322829485	/nfs/dbraw/zinc/82/94/85/1322829485.db2.gz	BYXLNTZQTQPCJZ-UHFFFAOYSA-N	-2	1	344.258	2.742	10	5		EFBEML
Cc1cc([N-]c2ncnc([N-]c3cccc(C)n3)c2[N+](=O)[O-])no1	ZINC000040581967	213353252	/nfs/dbraw/zinc/35/32/52/213353252.db2.gz	DKZLWDPFBCUQJQ-UHFFFAOYSA-N	-2	1	327.304	2.872	10	5		EFBEML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1	ZINC000131404080	293195924	/nfs/dbraw/zinc/19/59/24/293195924.db2.gz	LLLYSFQIZHIMEK-UHFFFAOYSA-N	-2	1	340.332	2.803	10	5		EFBEML
Cc1ccc(-c2cc(=NC(=O)c3cc([O-])ccc3[N+](=O)[O-])[nH][n-]2)s1	ZINC000352742312	475583502	/nfs/dbraw/zinc/58/35/02/475583502.db2.gz	AZDIYRGWXJMNOC-UHFFFAOYSA-N	-2	1	344.352	2.735	10	5		EFBEML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)ccc1Cl	ZINC000161306066	715565949	/nfs/dbraw/zinc/56/59/49/715565949.db2.gz	WZTGUABUNKADCE-UHFFFAOYSA-N	-2	1	346.723	2.894	10	5		EFBEML
O=C([O-])c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)CC1CCCCC1	ZINC000390239104	476791660	/nfs/dbraw/zinc/79/16/60/476791660.db2.gz	UMGCLQNLSMJFLI-UHFFFAOYSA-N	-2	1	342.373	2.615	10	5		EFBEML
COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc(Cl)c1[O-]	ZINC000442815328	250126544	/nfs/dbraw/zinc/12/65/44/250126544.db2.gz	WFDCBYWWHWTCJN-UHFFFAOYSA-N	-2	1	338.703	2.920	10	5		EFBEML
CCOc1cc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])on1	ZINC001637275460	1100769481	/nfs/dbraw/zinc/76/94/81/1100769481.db2.gz	INXOMSSQQHGXQP-UHFFFAOYSA-N	-2	1	327.680	2.593	10	5		EFBEML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)ccc1[O-]	ZINC000193482586	240111786	/nfs/dbraw/zinc/11/17/86/240111786.db2.gz	VZNNGTNRNZGZTL-UHFFFAOYSA-N	-2	1	333.325	2.583	10	5		EFBEML
Cc1cc([N-]c2ncnc([N-]c3ccc(C)cn3)c2[N+](=O)[O-])no1	ZINC000040582356	213353962	/nfs/dbraw/zinc/35/39/62/213353962.db2.gz	GYKCNFZNWCNBLA-UHFFFAOYSA-N	-2	1	327.304	2.872	10	5		EFBEML
Cc1sc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1[N+](=O)[O-]	ZINC000119391340	526886147	/nfs/dbraw/zinc/88/61/47/526886147.db2.gz	XSBFHYJWSLPJRE-UHFFFAOYSA-N	-2	1	332.334	2.610	10	5		EFBEML