smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CC[N+]2(C[C@](C)(O)C[C@@H]2CI)CC1 ZINC000000160472 717087550 /nfs/dbraw/zinc/08/75/50/717087550.db2.gz RMUYGKURLCGPPK-GHMZBOCLSA-N 2 1 325.214 0.707 10 50 ECGEMP C[NH+]1CC[N+]2(C[C@](C)(O)C[C@H]2CI)CC1 ZINC000000160470 717087863 /nfs/dbraw/zinc/08/78/63/717087863.db2.gz RMUYGKURLCGPPK-WDEREUQCSA-N 2 1 325.214 0.707 10 50 ECGEMP C[NH+]1CC[N+]2(C[C@@](C)(O)C[C@@H]2CI)CC1 ZINC000000160473 717087792 /nfs/dbraw/zinc/08/77/92/717087792.db2.gz RMUYGKURLCGPPK-MNOVXSKESA-N 2 1 325.214 0.707 10 50 ECGEMP C[NH+]1CC[N+]2(C[C@@](C)(O)C[C@H]2CI)CC1 ZINC000000160471 717087773 /nfs/dbraw/zinc/08/77/73/717087773.db2.gz RMUYGKURLCGPPK-QWRGUYRKSA-N 2 1 325.214 0.707 10 50 ECGEMP