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-])c1cc(Nc2cc(F)c([O-])c(F)c2)ccc1[O-]	ZINC001210400128	814445553	/nfs/dbraw/zinc/44/55/53/814445553.db2.gz	BQSQGTSVLBVRAR-UHFFFAOYSA-N	-2	1	282.202	3.028	20	5		CGBDML
Cc1cc([O-])c(O[C@@H](C)C2=CC=C[CH]2)cc1[N+](=O)[O-]	ZINC001229755512	932481250	/nfs/dbraw/zinc/48/12/50/932481250.db2.gz	XZUJWQOSKXTSSN-JTQLQIEISA-N	-2	1	260.269	3.077	20	5		CGBDML
O=[N+]([O-])c1cc(Nc2c(F)cc([O-])cc2F)ccc1[O-]	ZINC001210397441	814444851	/nfs/dbraw/zinc/44/48/51/814444851.db2.gz	AFNSGYVXOHORSI-UHFFFAOYSA-N	-2	1	282.202	3.028	20	5		CGBDML
Cc1cc([O-])c(O[C@H](C)C2=CC=C[CH]2)cc1[N+](=O)[O-]	ZINC001229755513	932480724	/nfs/dbraw/zinc/48/07/24/932480724.db2.gz	XZUJWQOSKXTSSN-SNVBAGLBSA-N	-2	1	260.269	3.077	20	5		CGBDML
O=[N+]([O-])c1cc(Nc2cc(F)c([O-])cc2F)ccc1[O-]	ZINC001210397979	814443963	/nfs/dbraw/zinc/44/39/63/814443963.db2.gz	KMABAVXCWOKHMF-UHFFFAOYSA-N	-2	1	282.202	3.028	20	5		CGBDML
O=[N+]([O-])c1cc(Nc2cccc(Cl)c2[O-])ccc1[O-]	ZINC001210401766	814447281	/nfs/dbraw/zinc/44/72/81/814447281.db2.gz	ZQKGKEHIIBYKHS-UHFFFAOYSA-N	-2	1	280.667	3.403	20	5		CGBDML
O=[N+]([O-])c1cc(Nc2ccc([O-])c(F)c2F)ccc1[O-]	ZINC001210394979	814442299	/nfs/dbraw/zinc/44/22/99/814442299.db2.gz	LJYCHKVJSWFWPM-UHFFFAOYSA-N	-2	1	282.202	3.028	20	5		CGBDML