smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC/C=C/CCCCCCCCOP(=O)([O-])[O-] ZINC000013648500 541109166 /nfs/dbraw/zinc/10/91/66/541109166.db2.gz UNBFYEIEMBSWCK-AATRIKPKSA-N -2 0 292.356 4.573 10 0 in-vivo CJAERL CC/C=C/CCCCCCCCCCOP(=O)([O-])[O-] ZINC000013648502 541108768 /nfs/dbraw/zinc/10/87/68/541108768.db2.gz VKPRWVOYFUXFAT-ONEGZZNKSA-N -2 0 292.356 4.573 10 0 in-vivo CJAERL