smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(=O)cc2oc3c(=O)oc4cc(O)ccc4c3c(O)c-2c1O ZINC000013378583 560215829 /nfs/dbraw/zinc/21/58/29/560215829.db2.gz IRFJPHPNKCAISA-UHFFFAOYSA-N 0 2 326.260 2.478 1 5 biogenic,in-vitro EEBFLN Cc1c(O)cc2oc3c(=O)oc4cc(O)ccc4c3c(=O)c2c1O ZINC000013378583 560215831 /nfs/dbraw/zinc/21/58/31/560215831.db2.gz IRFJPHPNKCAISA-UHFFFAOYSA-N 0 2 326.260 2.478 1 5 biogenic,in-vitro EEBFLN O=c1nc2n(-c3cccc(F)c3)c3cccc(F)c3cc-2c(=O)[nH]1 ZINC000028641605 202174210 /nfs/dbraw/zinc/17/42/10/202174210.db2.gz QVDFSQUACWRFOS-UHFFFAOYSA-N 0 2 325.274 2.457 1 5 EEBFLN