smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CCCC[C@@H]1NC(=S)C(=C(O)C1=CCC(=NS(C)(=O)=O)C=C1)[n+]1ccc2c(c1)CCCC2 ZINC000728556250 1064286012 /nfs/dbraw/zinc/28/60/12/1064286012.db2.gz FYNWJKNRPFAQGL-JPYJTQIMSA-O 1 2 500.710 4.416 20 30 KIEDLO C[C@@H]1CCCC[C@H]1NC(=S)C(=C(O)C1=CCC(=NS(C)(=O)=O)C=C1)[n+]1ccc2c(c1)CCCC2 ZINC000728556251 1064286608 /nfs/dbraw/zinc/28/66/08/1064286608.db2.gz FYNWJKNRPFAQGL-WZONZLPQSA-O 1 2 500.710 4.416 20 30 KIEDLO