smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)ccc1Cl	ZINC000003304035	206232628	/nfs/dbraw/zinc/23/26/28/206232628.db2.gz	TTWRAXAEAWJOLG-UHFFFAOYSA-N	-2	1	374.733	2.886	50	5		FFBAML
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000020255007	507217031	/nfs/dbraw/zinc/21/70/31/507217031.db2.gz	NJTHPOSQGFJTDP-UHFFFAOYSA-N	-2	1	356.743	2.747	50	5		FFBAML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1C	ZINC000036383919	207283135	/nfs/dbraw/zinc/28/31/35/207283135.db2.gz	XFRCIYKIODRRGT-UHFFFAOYSA-N	-2	1	350.352	2.711	50	5		FFBAML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1C	ZINC000013299912	506935860	/nfs/dbraw/zinc/93/58/60/506935860.db2.gz	HWBRFNUUAIKSPA-UHFFFAOYSA-N	-2	1	350.352	2.711	50	5		FFBAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1C	ZINC000000459009	219304766	/nfs/dbraw/zinc/30/47/66/219304766.db2.gz	YCXSKXINYZRFOL-UHFFFAOYSA-N	-2	1	350.352	2.711	50	5		FFBAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000020219099	211272731	/nfs/dbraw/zinc/27/27/31/211272731.db2.gz	DNIHQSASMWKORP-UHFFFAOYSA-N	-2	1	356.743	2.747	50	5		FFBAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1C	ZINC000035306469	506378278	/nfs/dbraw/zinc/37/82/78/506378278.db2.gz	BFTMDSRIFQBNFO-UHFFFAOYSA-N	-2	1	368.342	2.850	50	5		FFBAML
O=C([O-])c1ccccc1-c1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)o1	ZINC000009234798	506687816	/nfs/dbraw/zinc/68/78/16/506687816.db2.gz	KDSCCDZMZZPBNS-SOFGYWHQSA-N	-2	1	369.289	2.512	50	5		FFBAML
O=C([O-])c1cccc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[nH]3)o2)c1	ZINC000016361626	220184431	/nfs/dbraw/zinc/18/44/31/220184431.db2.gz	HHGFZWVOJVIELD-ALCCZGGFSA-N	-2	1	369.289	2.512	50	5		FFBAML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1	ZINC000003886919	506352211	/nfs/dbraw/zinc/35/22/11/506352211.db2.gz	CYARIPLCEUAFCX-UHFFFAOYSA-N	-2	1	350.352	2.711	50	5		FFBAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000020255001	211272710	/nfs/dbraw/zinc/27/27/10/211272710.db2.gz	SGVHZRTUPPWCED-UHFFFAOYSA-N	-2	1	356.743	2.747	50	5		FFBAML
O=C([O-])c1cccc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[nH]3)o2)c1	ZINC000009234821	506687209	/nfs/dbraw/zinc/68/72/09/506687209.db2.gz	HHGFZWVOJVIELD-FNORWQNLSA-N	-2	1	369.289	2.512	50	5		FFBAML
Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000003884894	506352009	/nfs/dbraw/zinc/35/20/09/506352009.db2.gz	SMERULCGQGCLRE-UHFFFAOYSA-N	-2	1	350.352	2.711	50	5		FFBAML
CCn1c([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])c(=O)c2ccccc21	ZINC000006830290	506509889	/nfs/dbraw/zinc/50/98/89/506509889.db2.gz	KRWGHFHVAUZIFB-UHFFFAOYSA-N	-2	1	369.333	2.593	50	5		FFBAML