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-])[C@@H]1C/C(=N\O)c2cc(F)ccc2O1	ZINC000217604419	388377576	/nfs/dbraw/zinc/37/75/76/388377576.db2.gz	JPPKQZNVCIOJQR-SZUMLMDFSA-N	-1	2	225.175	1.240	40	30		BDEBLM
O=C([O-])CC(=O)C(O)=CC(=O)c1ccccc1	ZINC000100587684	384647915	/nfs/dbraw/zinc/64/79/15/384647915.db2.gz	FJXRSBOJPPOCHL-POHAHGRESA-N	-1	2	234.207	1.355	40	30		BDEBLM
O=C([O-])C=C(O)C(=O)C=C(O)c1ccccc1	ZINC000100587684	384647922	/nfs/dbraw/zinc/64/79/22/384647922.db2.gz	FJXRSBOJPPOCHL-POHAHGRESA-N	-1	2	234.207	1.355	40	30		BDEBLM
O=C([O-])/C=C/C(=O)c1ccc(O)c(Cl)c1	ZINC000252491812	388653468	/nfs/dbraw/zinc/65/34/68/388653468.db2.gz	LUATXHSZSWWPBW-ONEGZZNKSA-N	-1	2	226.615	1.869	40	30		BDEBLM
O=[N+]([O-])c1cc(/C=N/O)c([O-])c([N+](=O)[O-])c1	ZINC000002572306	388345082	/nfs/dbraw/zinc/34/50/82/388345082.db2.gz	LGMSRSMMJRQAHW-FPYGCLRLSA-N	-1	2	227.132	1.017	40	30		BDEBLM
O=C([O-])[C@H]1C/C(=N\O)c2cc(F)ccc2O1	ZINC000217604346	388377686	/nfs/dbraw/zinc/37/76/86/388377686.db2.gz	JPPKQZNVCIOJQR-SZJBZFAYSA-N	-1	2	225.175	1.240	40	30		BDEBLM
Cc1[nH][nH]c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000016161077	342907568	/nfs/dbraw/zinc/90/75/68/342907568.db2.gz	PYBMZEGWZJAZJG-UHFFFAOYSA-N	-1	2	246.226	1.499	40	30		BDEBLM