smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC(C)(C)c1c2c(c(=O)c3c([O-])c4ccc([O-])c(OC)c4oc1-3)C=CC(C)(C)O2 ZINC000014584511 291283085 /nfs/dbraw/zinc/28/30/85/291283085.db2.gz XPXBUMXEOVNYQI-UHFFFAOYSA-N -2 1 408.450 5.014 1 30 biogenic,in-vitro HKEFML CCCCCCCC/C=C\CCCCCCCC(=O)NCC[C@@H](O)P(=O)([O-])[O-] ZINC000038153226 541109317 /nfs/dbraw/zinc/10/93/17/541109317.db2.gz MZENGNOXTCCUDF-YUQDSPFASA-N -2 1 419.543 5.026 1 30 HKEFML CCCCCCCC/C=C\CCCCCCCC(=O)NCC[C@H](O)P(=O)([O-])[O-] ZINC000038153230 541109281 /nfs/dbraw/zinc/10/92/81/541109281.db2.gz MZENGNOXTCCUDF-VFCOFNOGSA-N -2 1 419.543 5.026 1 30 HKEFML