smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cc(F)cc([O-])c1O 13511838 571985147 /nfs/dbraw/zinc/98/51/47/571985147.db2.gz MVVWPGLEMURLFH-UHFFFAOYSA-N -2 3 172.111 0.935 40 10 ACCBHL O=C([O-])C(=O)c1ccc([O-])c(O)c1 13341433 171215884 /nfs/dbraw/zinc/21/58/84/171215884.db2.gz HNZXTILLSIEXRZ-UHFFFAOYSA-N -2 3 182.131 0.365 40 10 ACCBHL CCn1nc(N)c2c([O-])[n-]c(=O)cc21 9593151 343021503 /nfs/dbraw/zinc/02/15/03/343021503.db2.gz IPNMTZUSSLRZHU-UHFFFAOYSA-N -2 3 194.194 0.445 40 10 ACCBHL