smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1csc2cc(Cl)ccc12 111910909 574028798 /nfs/dbraw/zinc/02/87/98/574028798.db2.gz ROGQSTZZGZUPOA-UHFFFAOYSA-N -1 0 184.647 3.260 10 10 AGCERM CCc1sc2ccccc2c1[O-] 144427237 573588089 /nfs/dbraw/zinc/58/80/89/573588089.db2.gz WSVDELARIKGPGR-UHFFFAOYSA-N -1 0 178.256 3.169 10 10 AGCERM