smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@H]([N-]C(=O)C(F)(F)F)[C@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000252448684 562881730 /nfs/dbraw/zinc/88/17/30/562881730.db2.gz ZOCKGBMQLCSHFP-CGPUOESMSA-N -1 0 723.650 2.462 10 10 KECERM CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@H]([N-]C(=O)C(F)(F)F)[C@@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000252448685 562881735 /nfs/dbraw/zinc/88/17/35/562881735.db2.gz ZOCKGBMQLCSHFP-GDFKYWENSA-N -1 0 723.650 2.462 10 10 KECERM