smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(C=Nc3ccc4ccccc4c3)cc2)[nH]1 ZINC000005605122 557664950 /nfs/dbraw/zinc/66/49/50/557664950.db2.gz UQVNANIITBUWQT-JBFZHCRBSA-N -2 2 412.405 4.870 40 30 HJEBLL