smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1C(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000008824916 554712597 /nfs/dbraw/zinc/71/25/97/554712597.db2.gz YQJQJPMOSKPHKG-UHFFFAOYSA-N 0 1 466.428 -0.036 50 5 JBBAMN Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(SCc2cc([N+](=O)[O-])ccc2O)n1 ZINC000025782760 556234617 /nfs/dbraw/zinc/23/46/17/556234617.db2.gz JXIKYSYYTDTHBG-SDPXSBNPSA-N 0 1 450.433 -0.074 50 5 JBBAMN