smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])ccc1CO ZINC001198782270 747595377 /nfs/dbraw/zinc/59/53/77/747595377.db2.gz FGYRJEBFXROIAV-UHFFFAOYSA-N -2 1 321.354 1.986 20 0 DDADML O=C([O-])C1(C(=O)NCCCC[P@@](=O)([O-])O)CCCCC1 ZINC001180438891 779761724 /nfs/dbraw/zinc/76/17/24/779761724.db2.gz QWIOYGAWKNMXCE-UHFFFAOYSA-N -2 1 307.283 1.096 20 0 DDADML COc1nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc2[nH]cnc21 ZINC001242160165 891353789 /nfs/dbraw/zinc/35/37/89/891353789.db2.gz DTZWWUBCNJPDCE-UHFFFAOYSA-N -2 1 314.257 1.425 20 0 DDADML COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C)cn1 ZINC001260222679 899097647 /nfs/dbraw/zinc/09/76/47/899097647.db2.gz AAEZNTIXQHNRCZ-UHFFFAOYSA-N -2 1 322.342 1.898 20 0 DDADML Cc1cc(C(=O)N[C@H](C)C2CCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000174860381 198394099 /nfs/dbraw/zinc/39/40/99/198394099.db2.gz DSJCMFPFOHKBKW-SECBINFHSA-N -2 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