smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)CC2 ZINC001164789416 721473874 /nfs/dbraw/zinc/47/38/74/721473874.db2.gz MMDLYFFDAZKSBI-LJQANCHMSA-N 0 1 499.605 2.260 20 70 JEIDMN COCCN1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)CC2 ZINC001164789345 721473718 /nfs/dbraw/zinc/47/37/18/721473718.db2.gz MMDLYFFDAZKSBI-IBGZPJMESA-N 0 1 499.605 2.260 20 70 JEIDMN