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)c2c([O-])c(CC=C(C)C)c([O-])cc2oc1-c1ccc(O)cc1 ZINC000014762757 560225737 /nfs/dbraw/zinc/22/57/37/560225737.db2.gz VVXGFIWLFZMBCJ-UHFFFAOYSA-N -2 1 368.385 4.094 10 0 biogenic,in-vitro FIAEML CC(C)=CCC/C(C)=C/CC/C=C/CO[P@@](=O)([O-])O[P@@](=O)([O-])O ZINC000013542325 210143548 /nfs/dbraw/zinc/14/35/48/210143548.db2.gz AFSHNJXUHHFZPQ-XOBXVUKQSA-N -2 1 368.303 4.242 10 0 in-vitro FIAEML CC(C)=CCC/C(C)=C/CC/C=C/CO[P@@](=O)([O-])O[P@](=O)([O-])O ZINC000013542325 210143551 /nfs/dbraw/zinc/14/35/51/210143551.db2.gz AFSHNJXUHHFZPQ-XOBXVUKQSA-N -2 1 368.303 4.242 10 0 in-vitro FIAEML