smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N@@H+]1CCC[C@@H]2c3cccc(OS(=O)(=O)C(F)(F)F)c3CC[C@@H]21 ZINC000036187794 581094323 /nfs/dbraw/zinc/09/43/23/581094323.db2.gz NSTMABOREYEUNT-HIFRSBDPSA-N 1 0 377.428 3.819 1 70 GHIFRO CCC[N@@H+]1CCC[C@@H]2c3cccc(OS(=O)(=O)C(F)(F)F)c3CC[C@H]21 ZINC000058608544 581094349 /nfs/dbraw/zinc/09/43/49/581094349.db2.gz NSTMABOREYEUNT-UKRRQHHQSA-N 1 0 377.428 3.819 1 70 GHIFRO CCC[N@@H+]1CCC[C@H]2c3cccc(OS(=O)(=O)C(F)(F)F)c3CC[C@H]21 ZINC000253754610 581094353 /nfs/dbraw/zinc/09/43/53/581094353.db2.gz NSTMABOREYEUNT-DZGCQCFKSA-N 1 0 377.428 3.819 1 70 GHIFRO CCC[N@@H+]1CCC[C@H]2c3cccc(OS(=O)(=O)C(F)(F)F)c3CC[C@@H]21 ZINC000036187793 581094244 /nfs/dbraw/zinc/09/42/44/581094244.db2.gz NSTMABOREYEUNT-ZFWWWQNUSA-N 1 0 377.428 3.819 1 70 GHIFRO