smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CC[C@@H]([C@H](N)C(=O)N2CCCC2)C1 ZINC000027982735 207333240 /nfs/dbraw/zinc/33/32/40/207333240.db2.gz VVBQVWPKSMHESE-UPJWGTAASA-N 0 3 396.535 -1.427 1 0 GAAFHN CC1=CC(=O)OC1[C@@]1(C)C[C@@H](O)[C@@]23CO[C@]4(C)[C@@H](OC(=O)[C@H](O)[C@@]42O)[C@H](O)[C@@H]31 ZINC000038897071 291090414 /nfs/dbraw/zinc/09/04/14/291090414.db2.gz FMWOBHDJHZMMIM-ZUTQTTNMSA-N 0 3 396.392 -1.588 1 0 biogenic,in-vitro GAAFHN