smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(S(=O)(=O)[N-]C[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c(=O)[nH]c1=O ZINC001474949266 1069316826 /nfs/dbraw/zinc/31/68/26/1069316826.db2.gz IKTATBKUSORZOZ-OAHLLOKOSA-N -1 1 456.952 1.270 20 0 JDADMM C[C@H](CN1CCN(c2ccccn2)CC1)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC001474994338 1069329375 /nfs/dbraw/zinc/32/93/75/1069329375.db2.gz YWDJFWASGLFHST-BCOMRZATSA-N -1 1 455.581 1.723 20 0 JDADMM C[C@H](CN1CCN(c2ccccn2)CC1)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC001474994368 1069329054 /nfs/dbraw/zinc/32/90/54/1069329054.db2.gz YWDJFWASGLFHST-HYDGNGQDSA-N -1 1 455.581 1.723 20 0 JDADMM Cn1cnc(S(=O)(=O)[N-]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)c1Cl ZINC001475015994 1069336399 /nfs/dbraw/zinc/33/63/99/1069336399.db2.gz BIYKATQCZPOSQZ-UHFFFAOYSA-N -1 1 453.011 1.831 20 0 JDADMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC001475106181 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