smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C=NNC(=O)C[N+](C)(C)C)ccc1OCc1nc2ccccc2nc1C ZINC000254566519 717170669 /nfs/dbraw/zinc/17/06/69/717170669.db2.gz JEWDGJJBJYVVIY-UHFFFAOYSA-O 1 0 422.509 2.682 10 50 HFGERO