smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c(O)c(-c2ccc(O)c(Cc3cccc(O)c3)c2)oc2cc(O)cc(OCCO)c21 ZINC000085569426 291363940 /nfs/dbraw/zinc/36/39/40/291363940.db2.gz BNPIYPNFRULNBS-UHFFFAOYSA-N -2 2 436.416 3.244 1 0 biogenic,in-vitro IGAFLL O=C([N-]S(=O)(=O)c1ccccc1)c1ccc2cc(C(F)(F)[P@](=O)([O-])O)ccc2c1 ZINC000013538393 562992646 /nfs/dbraw/zinc/99/26/46/562992646.db2.gz YZJCHIWQQASCGY-UHFFFAOYSA-N -2 2 441.348 3.186 1 0 IGAFLL O=C([N-]S(=O)(=O)c1ccccc1)c1ccc2cc(C(F)(F)[P@@](=O)([O-])O)ccc2c1 ZINC000013538393 562992648 /nfs/dbraw/zinc/99/26/48/562992648.db2.gz YZJCHIWQQASCGY-UHFFFAOYSA-N -2 2 441.348 3.186 1 0 IGAFLL