smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=C(Oc2ccccc2)[C@@H](CCC(=O)[O-])c2c1c([O-])c(Cl)cc2O ZINC000001616132 204013241 /nfs/dbraw/zinc/01/32/41/204013241.db2.gz KKRONXYHJSQOBI-LBPRGKRZSA-N -2 1 360.793 4.523 1 0 FJAFML CC(C)=CCC/C(C)=C/CCCC[C@H]([P@](C)(=O)[O-])[P@](=O)([O-])O ZINC000013742061 211056361 /nfs/dbraw/zinc/05/63/61/211056361.db2.gz TXSAXNBTLJLALN-YVGNARHYSA-N -2 1 352.348 4.644 1 0 FJAFML CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(C(=O)[O-])cc3)c([O-])cc21 ZINC000013738447 211056821 /nfs/dbraw/zinc/05/68/21/211056821.db2.gz UCJKVJLBKOFYNQ-UHFFFAOYSA-N -2 1 352.430 4.670 1 0 FJAFML