smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(/C=C2\C(=O)NN(c3ccc(F)cc3)C2=O)cc1O ZINC000040892004 213396900 /nfs/dbraw/zinc/39/69/00/213396900.db2.gz JBRAZUFBCCEPGR-MDWZMJQESA-N 0 1 328.299 2.001 1 10 EECFMN CCOCc1c(O)cc2c(c1O)C(=O)c1ccc(OC)c(O)c1C2=O ZINC000014758506 560225511 /nfs/dbraw/zinc/22/55/11/560225511.db2.gz XTXAOKFDPSACFJ-UHFFFAOYSA-N 0 1 344.319 2.124 1 10 biogenic,in-vitro EECFMN COc1cc2c(c(OC)c1O)C(=O)c1c(cc(C)c(O)c1OC)C2=O ZINC000059587344 560082769 /nfs/dbraw/zinc/08/27/69/560082769.db2.gz LJPSBLQSBSZEGV-UHFFFAOYSA-N 0 1 344.319 2.207 1 10 biogenic,in-vitro EECFMN CC1=NN(c2nn[nH]n2)C(=O)C1=Cc1cc(Cl)c([O-])c(Cl)c1 ZINC000101161710 219117759 /nfs/dbraw/zinc/11/77/59/219117759.db2.gz KGZRLNLISWUXBJ-UQCOIBPSSA-N 0 1 339.142 2.018 1 10 EECFMN