smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccccc1/N=C/C=N\c1ccccc1[O-] ZINC000012405000 183300152 /nfs/dbraw/zinc/30/01/52/183300152.db2.gz FZKAPSZEPRQQGK-CKOAPEAFSA-N -2 3 240.262 3.203 10 30 BGEEHL N#Cc1cc(-c2cc([O-])ccc2Cl)ccc1[O-] ZINC000065341502 181080725 /nfs/dbraw/zinc/08/07/25/181080725.db2.gz DGPUCTNNQDVJDW-UHFFFAOYSA-N -2 3 245.665 3.290 10 30 BGEEHL N#Cc1ccc(-c2cc([O-])ccc2Cl)cc1[O-] ZINC000065341503 181095075 /nfs/dbraw/zinc/09/50/75/181095075.db2.gz UQAKANIKUIFPCH-UHFFFAOYSA-N -2 3 245.665 3.290 10 30 BGEEHL N#Cc1cc([O-])cc(-c2cc([O-])ccc2Cl)c1 ZINC000065341504 181091795 /nfs/dbraw/zinc/09/17/95/181091795.db2.gz AHDXOMFPGCSNBI-UHFFFAOYSA-N -2 3 245.665 3.290 10 30 BGEEHL [O-]c1ccccc1/N=C\C=N/c1ccccc1[O-] ZINC000096061916 183299748 /nfs/dbraw/zinc/29/97/48/183299748.db2.gz FZKAPSZEPRQQGK-VULZFCBJSA-N -2 3 240.262 3.203 10 30 BGEEHL