smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1cc(=O)c2cccc(O)c2[nH]1 ZINC000015116125 386025815 /nfs/dbraw/zinc/02/58/15/386025815.db2.gz PPWQGCSEQFBFKG-UHFFFAOYSA-N -2 2 219.196 1.433 50 0 BDAALL