smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000217489888 220236020 /nfs/dbraw/zinc/23/60/20/220236020.db2.gz QHMRDHDQHHAVJW-OBJOEFQTSA-N 2 1 296.415 -0.219 10 70 CBIEMP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000217587791 582128023 /nfs/dbraw/zinc/12/80/23/582128023.db2.gz CFVZETPYOWQZAN-QJPTWQEYSA-N 2 1 255.362 -0.179 10 70 CBIEMP