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@H](NC(=O)CCC(=O)[O-])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000085544465 553683539 /nfs/dbraw/zinc/68/35/39/553683539.db2.gz RTZIINXZEQBCIF-YQMHAVPBSA-N -1 1 690.714 1.072 40 5 KDBBMM