smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3Cc3ccc(F)c(F)c3)C(=O)[C@@H]3C[C@@H](CN3Cc3ccccc3O)N1)[C@@H](O)[C@H]2O ZINC000225436048 571804202 /nfs/dbraw/zinc/80/42/02/571804202.db2.gz LFXYMELUYQSQKU-FLIBBYGBSA-N 0 1 629.661 -0.548 40 10 KBCBMN