smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(S)cn1 39080564 343197143 /nfs/dbraw/zinc/19/71/43/343197143.db2.gz FZDULFBJYPHCNQ-UHFFFAOYSA-N 0 2 154.238 1.436 30 0 ADACLN