smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]cnc([O-])c1C1CCC1 217716770 171181919 /nfs/dbraw/zinc/18/19/19/171181919.db2.gz JEDPBMATZKIXIZ-UHFFFAOYSA-N -2 3 166.180 1.155 40 70 ADIBHL