smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNC(CO)(CO)CO)C2=O)cc1 ZINC000102890538 136196469 /nfs/dbraw/zinc/19/64/69/136196469.db2.gz RQDBCASJLZWDCI-NTUHNPAUSA-N -1 0 379.369 -1.143 40 10 GACBRM