smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(C=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)nc([O-])c1[N+](=O)[O-]	ZINC000017112606	556217665	/nfs/dbraw/zinc/21/76/65/556217665.db2.gz	VACKMYIHWDTYBD-SOFGYWHQSA-N	-2	1	478.686	4.549	50	5		JJBAML
COc1ccc([N-]S(=O)(=O)c2ccc3oc([N-]c4nc5ccc([N+](=O)[O-])cc5s4)nc3c2)cc1	ZINC000003347589	194294126	/nfs/dbraw/zinc/29/41/26/194294126.db2.gz	FDVHTVOVWNQZNY-UHFFFAOYSA-N	-2	1	497.514	4.899	50	5		JJBAML
O=C(Nc1ccc2ccccc2c1)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000036445136	569775945	/nfs/dbraw/zinc/77/59/45/569775945.db2.gz	OTZTYLOQOBQCND-UHFFFAOYSA-N	-2	1	463.471	4.507	50	5		JJBAML
O=c1[n-]c(C=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)nc([O-])c1[N+](=O)[O-]	ZINC000016361767	527434672	/nfs/dbraw/zinc/43/46/72/527434672.db2.gz	VACKMYIHWDTYBD-VURMDHGXSA-N	-2	1	478.686	4.549	50	5		JJBAML
CN(Cc1ccc2ccccc2c1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000036445138	569775935	/nfs/dbraw/zinc/77/59/35/569775935.db2.gz	RZFJIJXGLXBDBJ-UHFFFAOYSA-N	-2	1	491.525	4.527	50	5		JJBAML