smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000160523638 208830153 /nfs/dbraw/zinc/83/01/53/208830153.db2.gz PCAKSGDBEXPUTJ-CQSZACIVSA-N 0 1 363.462 0.722 20 70 FCIDMN CN(C)CCN(CCOCCO)S(=O)(=O)c1c(F)cccc1F ZINC000161304564 229196833 /nfs/dbraw/zinc/19/68/33/229196833.db2.gz SAPUPBQAQYMERR-UHFFFAOYSA-N 0 1 352.403 0.526 20 70 FCIDMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000159481158 488785848 /nfs/dbraw/zinc/78/58/48/488785848.db2.gz BGNFJOVHWKYUFO-UHFFFAOYSA-N 0 1 363.462 0.458 20 70 FCIDMN NC(=O)[C@H]1CC[C@@H](CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)O1 ZINC000160245849 488790115 /nfs/dbraw/zinc/79/01/15/488790115.db2.gz WIAJUJCSQCWJMR-KCQAQPDRSA-N 0 1 350.419 0.749 20 70 FCIDMN CN1CCN(c2cc(CNC(=O)N[C@@H]3CCc4n[nH]cc4C3)ccn2)CC1 ZINC000160819142 488793701 /nfs/dbraw/zinc/79/37/01/488793701.db2.gz GXPIEDUTHOVIEI-MRXNPFEDSA-N 0 1 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