smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [S-]c1cc(S)ccc1Cl 388264 342935645 /nfs/dbraw/zinc/93/56/45/342935645.db2.gz HCDLDZCJYMCKQH-UHFFFAOYSA-N -1 2 176.693 2.917 40 0 AFABLM