smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])[O-] ZINC000013507256 560217570 /nfs/dbraw/zinc/21/75/70/560217570.db2.gz ALEWCKXBHSDCCT-FBXUGWQNSA-N -2 0 302.351 4.515 1 0 in-vitro DJAFRL CC(C)=CCC/C(C)=C\CC/C(C)=C/COP(=O)([O-])[O-] ZINC000013507260 560217583 /nfs/dbraw/zinc/21/75/83/560217583.db2.gz ALEWCKXBHSDCCT-GNESMGCMSA-N -2 0 302.351 4.515 1 0 in-vitro DJAFRL