smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccc(O)cc2[O-])[C@H]2C(=O)NC(=O)[C@H]21 ZINC000004602798 297884183 /nfs/dbraw/zinc/88/41/83/297884183.db2.gz RGJVZKZVBZRDRG-RUMNANIHSA-N -1 3 306.274 -0.526 10 10 DBCEHM C[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccc(O)cc2[O-])[C@H]2C(=O)NC(=O)[C@@H]21 ZINC000100133775 193795424 /nfs/dbraw/zinc/79/54/24/193795424.db2.gz RGJVZKZVBZRDRG-AEISUSGSSA-N -1 3 306.274 -0.526 10 10 DBCEHM