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](N)C(=O)NCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000217489888 220236022 /nfs/dbraw/zinc/23/60/22/220236022.db2.gz QHMRDHDQHHAVJW-OBJOEFQTSA-N 1 3 296.415 -0.219 10 70 CBIEHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000217489888 220236025 /nfs/dbraw/zinc/23/60/25/220236025.db2.gz QHMRDHDQHHAVJW-OBJOEFQTSA-N 1 3 296.415 -0.219 10 70 CBIEHO