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([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1F	ZINC000012921203	304226113	/nfs/dbraw/zinc/22/61/13/304226113.db2.gz	BLBVSTYBYYOUBI-UHFFFAOYSA-N	-2	1	340.288	2.233	50	5		EEBAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1F	ZINC000012552341	462856930	/nfs/dbraw/zinc/85/69/30/462856930.db2.gz	DGPMEDGTRPOYPC-UHFFFAOYSA-N	-2	1	340.288	2.233	50	5		EEBAML
O=c1[n-]c(C=Cc2c[nH]nc2-c2ccc(F)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000012374677	211359398	/nfs/dbraw/zinc/35/93/98/211359398.db2.gz	PKOGYYHXMNPAIS-ZZXKWVIFSA-N	-2	1	343.274	2.083	50	5		EEBAML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000003833171	210078392	/nfs/dbraw/zinc/07/83/92/210078392.db2.gz	HXLXKBSYLRKHPH-UHFFFAOYSA-N	-2	1	336.325	2.402	50	5		EEBAML
O=c1[n-]c(C=Cc2cccc(Br)c2)nc([O-])c1[N+](=O)[O-]	ZINC000015684962	462960119	/nfs/dbraw/zinc/96/01/19/462960119.db2.gz	JCTAEWIWUXAQRJ-SNAWJCMRSA-N	-2	1	338.117	2.317	50	5		EEBAML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000003886499	462626573	/nfs/dbraw/zinc/62/65/73/462626573.db2.gz	KHUKDESFCVFPAE-UHFFFAOYSA-N	-2	1	336.325	2.402	50	5		EEBAML
O=C([O-])c1ccc([N-]c2c3nonc3c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000004017572	210102219	/nfs/dbraw/zinc/10/22/19/210102219.db2.gz	BQHMGHLOQLCHFB-UHFFFAOYSA-N	-2	1	345.227	2.481	50	5		EEBAML
O=c1[n-]c(C=Cc2ccc(Br)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000033399981	304813631	/nfs/dbraw/zinc/81/36/31/304813631.db2.gz	XUGRMNSECXVKIV-UTCJRWHESA-N	-2	1	338.117	2.317	50	5		EEBAML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1	ZINC000013059766	207282146	/nfs/dbraw/zinc/28/21/46/207282146.db2.gz	IBXXGFRHTYKVQF-UHFFFAOYSA-N	-2	1	340.288	2.233	50	5		EEBAML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000003884726	462626841	/nfs/dbraw/zinc/62/68/41/462626841.db2.gz	ZOIDZMVEJCJFHW-UHFFFAOYSA-N	-2	1	336.325	2.402	50	5		EEBAML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000003884914	210083610	/nfs/dbraw/zinc/08/36/10/210083610.db2.gz	VTEHYMBPYYIEDL-UHFFFAOYSA-N	-2	1	336.325	2.402	50	5		EEBAML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-]	ZINC000003884773	210083564	/nfs/dbraw/zinc/08/35/64/210083564.db2.gz	HTZHIPSYUAFAFE-UHFFFAOYSA-N	-2	1	336.325	2.402	50	5		EEBAML