smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=Cc1sc2ccccc2c1O 6117589 351350178 /nfs/dbraw/zinc/35/01/78/351350178.db2.gz FKDSQVIMAMXYDT-UHFFFAOYSA-N 0 2 178.212 2.419 40 10 AECBLN