smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCCCCCCCC[N@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO ZINC000137899614 1178567166 /nfs/dbraw/zinc/56/71/66/1178567166.db2.gz TYTARGBBJQKLAJ-QKPAOTATSA-N 1 1 319.442 0.123 30 0 in-vitro DCACMO CN1c2ccc(F)cc2S(=O)(=O)N=C1NCCC[NH+](C)C ZINC000015444033 395690076 /nfs/dbraw/zinc/69/00/76/395690076.db2.gz ROEOVAABKAOJEI-UHFFFAOYSA-N 1 1 314.386 0.862 30 0 DCACMO