smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(OS(=O)(=O)C(F)(F)F)cc2c1C[N@H+](Cc1ccccc1)C(C)(C)C2 ZINC000049877817 563140500 /nfs/dbraw/zinc/14/05/00/563140500.db2.gz RUGNGEVRDNMXDL-UHFFFAOYSA-N 1 0 429.460 4.261 1 70 IIIFRO CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1ccc(OS(=O)(=O)C(F)(F)F)c(OC)c1-3 ZINC000036187806 563091859 /nfs/dbraw/zinc/09/18/59/563091859.db2.gz VFZQJEHONJLING-MRXNPFEDSA-N 1 0 441.471 4.456 1 70 IIIFRO