smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c([O-])c(CC=C(C)C)cc2c([O-])c3c(=O)c4c(cc-3oc21)O[C@H](C)C4(C)C ZINC000015256084 291276253 /nfs/dbraw/zinc/27/62/53/291276253.db2.gz NHUUFIXWOHZWLZ-GFCCVEGCSA-N -2 3 410.466 4.933 1 5 biogenic,in-vitro HJBFHL COc1c([O-])cc(CC=C(C)C)c2c([O-])c3c(=O)cc4c(c-3oc12)C(C)(C)[C@@H](C)O4 ZINC000013382725 291276281 /nfs/dbraw/zinc/27/62/81/291276281.db2.gz DNRJSJQWXWNVSH-GFCCVEGCSA-N -2 3 410.466 4.933 1 5 biogenic,in-vitro HJBFHL COC(C)(C)CCc1ccc([O-])c2oc3cc([O-])c(CC=C(C)C)c(O)c3c(=O)c12 ZINC000014781086 291275763 /nfs/dbraw/zinc/27/57/63/291275763.db2.gz CLDJJUOXMZUESE-UHFFFAOYSA-N -2 3 412.482 4.929 1 5 biogenic,in-vitro HJBFHL