O=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000028143 99/30/80/361993080 VAYRSTHMTWUHGE-AWEZNQCLSA-N -1 295.294 CD 1.978 0 Anodyne ref CDAARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O in-vitro biogenic O=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000028144 99/31/51/361993151 VAYRSTHMTWUHGE-CQSZACIVSA-N -1 295.294 CD 1.978 0 Anodyne ref CDAARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O in-vitro biogenic O=C(Nc1ccccc1)Nc1snnc1C(=O)O ZINC000000035524 88/04/11/355880411 PNNXLYVXQWUPMD-UHFFFAOYSA-N -1 264.266 CD 1.88 0 Anodyne ref CDAARM O=C(Nc1ccccc1)Nc1snnc1C(=O)[O-] CC(=O)C1=C(O)C(=O)N(CCC(=O)O)[C@H]1c1ccccc1 ZINC000000074308 88/43/41/355884341 XFMRNIFNQMSMDQ-ZDUSSCGKSA-N -1 289.287 CD 1.446 0 Mild ref CDEARM CC(=O)C1=C(O)C(=O)N(CCC(=O)[O-])[C@H]1c1ccccc1 CC(=O)C1=C(O)C(=O)N(CCC(=O)O)[C@@H]1c1ccccc1 ZINC000000074312 88/41/71/355884171 XFMRNIFNQMSMDQ-CYBMUJFWSA-N -1 289.287 CD 1.446 0 Mild ref CDEARM CC(=O)C1=C(O)C(=O)N(CCC(=O)[O-])[C@@H]1c1ccccc1 O=C(O)CN1C(=O)C[C@@H](Cc2ccc(Cl)cc2)C1=O ZINC000000203026 89/53/55/355895355 FTZXNONUXWZFTE-SECBINFHSA-N -1 281.695 CD 1.342 0 Anodyne ref CDAARM O=C([O-])CN1C(=O)C[C@@H](Cc2ccc(Cl)cc2)C1=O COc1ccc(CC(=S)N2CCOCC2)cc1 ZINC000000235356 89/83/41/355898341 XYZSOKXVIIHPFL-UHFFFAOYSA-N 0 251.351 CD 1.897 0 Anodyne ref CDAARN COc1ccc(CC(=S)N2CCOCC2)cc1 CC(=O)C1=C(O)C(=O)N(CC(=O)O)[C@H]1c1ccccc1 ZINC000000283212 90/12/13/355901213 MGJBYEARFYIWTC-LBPRGKRZSA-N -1 275.26 CD 1.056 1 Mild mid CDEAMM CC(=O)C1C(=O)C(=O)N(CC(=O)[O-])[C@H]1c1ccccc1 CC(=O)C1=C(O)C(=O)N(CC(=O)O)[C@H]1c1ccccc1 ZINC000000283212 90/12/04/355901204 MGJBYEARFYIWTC-LBPRGKRZSA-N -1 275.26 CD 1.056 0 Mild ref CDEARM CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@H]1c1ccccc1 CC(=O)C1=C(O)C(=O)N(CC(=O)O)[C@@H]1c1ccccc1 ZINC000000283218 90/14/90/355901490 MGJBYEARFYIWTC-GFCCVEGCSA-N -1 275.26 CD 1.056 1 Mild mid CDEAMM CC(=O)C1C(=O)C(=O)N(CC(=O)[O-])[C@@H]1c1ccccc1 CC(=O)C1=C(O)C(=O)N(CC(=O)O)[C@@H]1c1ccccc1 ZINC000000283218 90/14/88/355901488 MGJBYEARFYIWTC-GFCCVEGCSA-N -1 275.26 CD 1.056 0 Mild ref CDEARM CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@@H]1c1ccccc1 O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000000532381 91/57/30/355915730 UDUGSHGYQZDWDK-DYNIEEOBSA-N -1 291.328 CD 1.115 0 Anodyne ref CDAARM O=C([O-])[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 N#C[C@@H](C(=O)N1CCOCC1)C(=S)Nc1ccccc1 ZINC000000551818 23/11/46/357231146 WZUXOZCNJMNIKB-GFCCVEGCSA-N 0 289.36 CD 1.424 0 Mild ref CDEARN N#C[C@@H](C(=O)N1CCOCC1)C(=S)Nc1ccccc1 N#C[C@H](C(=O)N1CCOCC1)C(=S)Nc1ccccc1 ZINC000000551820 23/12/26/357231226 WZUXOZCNJMNIKB-LBPRGKRZSA-N 0 289.36 CD 1.424 0 Mild ref CDEARN N#C[C@H](C(=O)N1CCOCC1)C(=S)Nc1ccccc1 O=C(Nc1snnc1C(=O)O)NC1CCCCC1 ZINC000001416983 98/52/85/341985285 HVNQRNPDSWMWHD-UHFFFAOYSA-N -1 270.314 CD 1.69 0 Anodyne ref CDABRM O=C(Nc1snnc1C(=O)[O-])NC1CCCCC1 COc1ccccc1N1CCN(c2nnc(N)s2)CC1 ZINC000001418534 07/18/52/537071852 OJONZTNAFUVHRQ-UHFFFAOYSA-N 0 291.38 CD 1.455 0 Anodyne ref CDAARN COc1ccccc1N1CCN(c2nnc(N)s2)CC1 CC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1 ZINC000001446429 23/69/09/278236909 OZRZBGMRHUJCAZ-YVSFHVDLSA-N 0 288.343 CD 1.904 0 Anodyne ref CDABRN CC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1 CCOC(=O)[C@@]1(C)CC(=O)C(=O)N1c1ccccc1 ZINC000002287833 79/67/54/326796754 XHOHEXJPQYWMRA-CQSZACIVSA-N 0 261.277 CD 1.314 0 Anodyne ref CDAARN CCOC(=O)[C@@]1(C)CC(=O)C(=O)N1c1ccccc1 CCOC(=O)[C@]1(C)CC(=O)C(=O)N1c1ccccc1 ZINC000002287834 79/67/41/326796741 XHOHEXJPQYWMRA-AWEZNQCLSA-N 0 261.277 CD 1.314 0 Anodyne ref CDAARN CCOC(=O)[C@]1(C)CC(=O)C(=O)N1c1ccccc1 CC(=O)[C@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000002478868 63/97/42/134639742 NYLKBBSQBUOXGP-VIFPVBQESA-N -1 280.667 CD 1.128 1 Anodyne mid CDABMM CC(=O)c1c([O-])n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O CC(=O)[C@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000002478868 63/97/38/134639738 NYLKBBSQBUOXGP-VIFPVBQESA-N -1 280.667 CD 1.128 0 Anodyne ref CDABRM CC(=O)c1c([O-])[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O O=C(O)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 ZINC000003882510 21/17/15/304211715 UDUGSHGYQZDWDK-FBKDDSFISA-N -1 291.328 CD 1.115 0 Anodyne ref CDAARM O=C([O-])[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1 ZINC000004179345 90/25/77/375902577 MKUHRNFZJODRNV-MRVPVSSYSA-N 0 266.257 CD 1.301 3 Bother high CDBAHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1 C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1 ZINC000004179345 90/25/56/375902556 MKUHRNFZJODRNV-MRVPVSSYSA-N 1 266.257 CD 1.301 0 Bother ref CDBARO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[NH2+]1 C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1 ZINC000004179349 93/86/62/391938662 MKUHRNFZJODRNV-QMMMGPOBSA-N 0 266.257 CD 1.301 3 Bother high CDBAHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1 C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1 ZINC000004179349 93/86/49/391938649 MKUHRNFZJODRNV-QMMMGPOBSA-N 1 266.257 CD 1.301 0 Bother ref CDBARO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[NH2+]1 O=[N+]([O-])c1ccc(N2CCNCC2)cc1NC1CC1 ZINC000004182712 79/17/86/377791786 PLIVQOBEHAUGLU-UHFFFAOYSA-N 0 262.313 CD 1.579 3 Bother high CDBAHN O=[N+]([O-])c1ccc(N2CCNCC2)cc1NC1CC1 O=[N+]([O-])c1ccc(N2CCNCC2)cc1NC1CC1 ZINC000004182712 79/17/62/377791762 PLIVQOBEHAUGLU-UHFFFAOYSA-N 1 262.313 CD 1.579 0 Bother ref CDBARO O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1NC1CC1 O=C(O)CCC[C@@H]1NC[C@@H]2CCCN3CCC[C@@H]1[C@H]23 ZINC000005816967 30/15/77/342301577 AZXHMEMRJYOODA-ABHRYQDASA-N 1 266.385 CD 1.704 1 Anodyne mid CDABMO O=C([O-])CCC[C@@H]1[NH2+]C[C@@H]2CCC[N@H+]3CCC[C@@H]1[C@H]23 O=C(O)CCC[C@@H]1NC[C@@H]2CCCN3CCC[C@@H]1[C@H]23 ZINC000005816967 30/15/76/342301576 AZXHMEMRJYOODA-ABHRYQDASA-N 1 266.385 CD 1.704 1 Anodyne mid CDABMO O=C([O-])CCC[C@@H]1[NH2+]C[C@@H]2CCC[N@@H+]3CCC[C@@H]1[C@H]23 O=C(O)CCC[C@@H]1NC[C@@H]2CCCN3CCC[C@@H]1[C@H]23 ZINC000005816967 30/15/75/342301575 AZXHMEMRJYOODA-ABHRYQDASA-N 0 266.385 CD 1.704 0 Anodyne ref CDABRN O=C([O-])CCC[C@@H]1[NH2+]C[C@@H]2CCCN3CCC[C@@H]1[C@H]23 CC(=O)[C@@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000006137885 06/85/02/356068502 NYLKBBSQBUOXGP-SECBINFHSA-N -1 280.667 CD 1.128 1 Anodyne mid CDABMM CC(=O)c1c([O-])n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O CC(=O)[C@@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000006137885 06/84/89/356068489 NYLKBBSQBUOXGP-SECBINFHSA-N -1 280.667 CD 1.128 0 Anodyne ref CDABRM CC(=O)c1c([O-])[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O Nc1nnc(N2CCN(c3ccccc3)CC2)s1 ZINC000006901922 08/61/15/356086115 KVPASTCXWADLNX-UHFFFAOYSA-N 0 261.354 CD 1.447 0 Anodyne ref CDABRN Nc1nnc(N2CCN(c3ccccc3)CC2)s1 O=C/C(Br)=C(\Br)C(=O)O ZINC000012362023 61/87/96/304618796 NCNYEGJDGNOYJX-NSCUHMNNSA-N -1 257.865 CD 1.271 0 Reactive ref CDGARM O=C/C(Br)=C(\Br)C(=O)[O-] O=C(O)CCC[C@@H]1NC[C@@H]2CCCN3CCC[C@@H]1[C@@H]23 ZINC000015956326 05/17/55/304051755 AZXHMEMRJYOODA-PWNZVWSESA-N 1 266.385 CD 1.704 1 Anodyne mid CDABMO O=C([O-])CCC[C@@H]1[NH2+]C[C@@H]2CCC[N@H+]3CCC[C@@H]1[C@@H]23 O=C(O)CCC[C@@H]1NC[C@@H]2CCCN3CCC[C@@H]1[C@@H]23 ZINC000015956326 05/17/53/304051753 AZXHMEMRJYOODA-PWNZVWSESA-N 1 266.385 CD 1.704 1 Anodyne mid CDABMO O=C([O-])CCC[C@@H]1[NH2+]C[C@@H]2CCC[N@@H+]3CCC[C@@H]1[C@@H]23 O=C(O)CCC[C@@H]1NC[C@@H]2CCCN3CCC[C@@H]1[C@@H]23 ZINC000015956326 05/17/49/304051749 AZXHMEMRJYOODA-PWNZVWSESA-N 0 266.385 CD 1.704 0 Anodyne ref CDABRN O=C([O-])CCC[C@@H]1[NH2+]C[C@@H]2CCCN3CCC[C@@H]1[C@@H]23 CC(=O)C1=C(O)C(=O)N(CCCO)[C@H]1c1ccccc1 ZINC000017746703 39/57/19/526395719 GOZZEBJNWQEYCC-ZDUSSCGKSA-N 0 275.304 CD 1.353 0 Mild ref CDEARN CC(=O)C1=C(O)C(=O)N(CCCO)[C@H]1c1ccccc1 CC(=O)C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccccc1 ZINC000017752095 39/62/09/526396209 GOZZEBJNWQEYCC-CYBMUJFWSA-N 0 275.304 CD 1.353 0 Mild ref CDEARN CC(=O)C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccccc1 COc1ccc(Cc2nnc(SC)nc2O)cc1 ZINC000018067218 46/67/04/356466704 VWXDPVPPRAPZAK-UHFFFAOYSA-N 0 263.322 CD 1.898 2 Anodyne low CDAALN COc1ccc(Cc2nnc(SC)[nH]c2=O)cc1 COc1ccc(Cc2nnc(SC)nc2O)cc1 ZINC000018067218 46/66/98/356466698 VWXDPVPPRAPZAK-UHFFFAOYSA-N -1 263.322 CD 1.898 0 Anodyne ref CDAARM COc1ccc(Cc2nnc(SC)[n-]c2=O)cc1 CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccccc1 ZINC000019537126 22/56/88/278225688 OZRZBGMRHUJCAZ-VQHPVUNQSA-N 0 288.343 CD 1.904 0 Anodyne ref CDAARN CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccccc1 CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccccc1 ZINC000019537130 22/57/01/278225701 OZRZBGMRHUJCAZ-TWMKSMIVSA-N 0 288.343 CD 1.904 0 Anodyne ref CDAARN CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccccc1 O=C(O)CN1C(=O)C[C@H](Cc2ccc(Cl)cc2)C1=O ZINC000019735267 49/81/68/356498168 FTZXNONUXWZFTE-VIFPVBQESA-N -1 281.695 CD 1.342 0 Anodyne ref CDAARM O=C([O-])CN1C(=O)C[C@H](Cc2ccc(Cl)cc2)C1=O CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1cccnc1 ZINC000019798488 58/28/17/361582817 ZJZDWFLRWJXMLK-FPCVCCKLSA-N 0 289.331 CD 1.299 0 Anodyne ref CDAARN CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1cccnc1 CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1cccnc1 ZINC000019798491 22/56/97/278225697 ZJZDWFLRWJXMLK-QXSJWSMHSA-N 0 289.331 CD 1.299 0 Anodyne ref CDAARN CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1cccnc1 CC(=O)C1=C(O)C(=O)N(C[C@@H](C)N)[C@H]1c1ccccc1 ZINC000019923428 92/94/94/170929494 IFQOYLLBCKHCKX-RNCFNFMXSA-N 1 274.32 CD 1.318 0 Mild ref CDEARO CC(=O)C1=C(O)C(=O)N(C[C@@H](C)[NH3+])[C@H]1c1ccccc1 CC(=O)C1=C(O)C(=O)N(C[C@H](C)N)[C@H]1c1ccccc1 ZINC000019923430 92/95/93/170929593 IFQOYLLBCKHCKX-ZANVPECISA-N 1 274.32 CD 1.318 0 Mild ref CDEARO CC(=O)C1=C(O)C(=O)N(C[C@H](C)[NH3+])[C@H]1c1ccccc1 CC(=O)C1=C(O)C(=O)N(C[C@@H](C)N)[C@@H]1c1ccccc1 ZINC000019923432 51/60/90/356516090 IFQOYLLBCKHCKX-NOZJJQNGSA-N 1 274.32 CD 1.318 0 Mild ref CDEARO CC(=O)C1=C(O)C(=O)N(C[C@@H](C)[NH3+])[C@@H]1c1ccccc1 CC(=O)C1=C(O)C(=O)N(C[C@H](C)N)[C@@H]1c1ccccc1 ZINC000019923434 51/64/59/356516459 IFQOYLLBCKHCKX-TVQRCGJNSA-N 1 274.32 CD 1.318 0 Mild ref CDEARO CC(=O)C1=C(O)C(=O)N(C[C@H](C)[NH3+])[C@@H]1c1ccccc1 CC(=O)C1=C(O)C(=O)N(CCCN)[C@@H]1c1ccccc1 ZINC000020314857 14/53/49/171145349 FDCUEDMOBOSNKE-CYBMUJFWSA-N 1 274.32 CD 1.32 0 Mild ref CDEBRO CC(=O)C1=C(O)C(=O)N(CCC[NH3+])[C@@H]1c1ccccc1 CC(=O)C1=C(O)C(=O)N(CCCN)[C@H]1c1ccccc1 ZINC000020314862 14/55/98/171145598 FDCUEDMOBOSNKE-ZDUSSCGKSA-N 1 274.32 CD 1.32 0 Mild ref CDEBRO CC(=O)C1=C(O)C(=O)N(CCC[NH3+])[C@H]1c1ccccc1 CC(=O)C1=C(O)C(=O)N(C[C@@H](C)O)[C@H]1c1ccccc1 ZINC000020314916 14/57/39/171145739 FDLZMKZKKWIEGM-RNCFNFMXSA-N 0 275.304 CD 1.352 0 Mild ref CDEBRN CC(=O)C1=C(O)C(=O)N(C[C@@H](C)O)[C@H]1c1ccccc1 CC(=O)C1=C(O)C(=O)N(C[C@H](C)O)[C@H]1c1ccccc1 ZINC000020314921 14/56/38/171145638 FDLZMKZKKWIEGM-ZANVPECISA-N 0 275.304 CD 1.352 0 Mild ref CDEBRN CC(=O)C1=C(O)C(=O)N(C[C@H](C)O)[C@H]1c1ccccc1 CC(=O)C1=C(O)C(=O)N(C[C@@H](C)O)[C@@H]1c1ccccc1 ZINC000020314925 14/54/65/171145465 FDLZMKZKKWIEGM-NOZJJQNGSA-N 0 275.304 CD 1.352 0 Mild ref CDEBRN CC(=O)C1=C(O)C(=O)N(C[C@@H](C)O)[C@@H]1c1ccccc1 CC(=O)C1=C(O)C(=O)N(C[C@H](C)O)[C@@H]1c1ccccc1 ZINC000020314930 14/56/32/171145632 FDLZMKZKKWIEGM-TVQRCGJNSA-N 0 275.304 CD 1.352 0 Mild ref CDEBRN CC(=O)C1=C(O)C(=O)N(C[C@H](C)O)[C@@H]1c1ccccc1 Nc1nnc(N2CCN(Cc3ccccc3)CC2)s1 ZINC000020576902 54/87/13/356548713 VSAMBERGEVBUPS-UHFFFAOYSA-N 1 275.381 CD 1.442 1 Anodyne mid CDAAMO Nc1nnc(N2CC[NH+](Cc3ccccc3)CC2)s1 Nc1nnc(N2CCN(Cc3ccccc3)CC2)s1 ZINC000020576902 54/87/07/356548707 VSAMBERGEVBUPS-UHFFFAOYSA-N 1 275.381 CD 1.442 0 Anodyne ref CDAARO Nc1nnc(N2CCN(Cc3ccccc3)CC2)s1 NC(=S)CC(=O)NCCc1c[nH]c2ccccc12 ZINC000022130253 35/46/54/171354654 XGLVLUJDJZOBOI-UHFFFAOYSA-N 0 261.35 CD 1.503 0 Anodyne ref CDAARN NC(=S)CC(=O)NCCc1c[nH]c2ccccc12 COc1cc(-c2cnc(N)n2C)cc(OC)c1OC ZINC000022130287 35/45/05/171354505 UVOPWEBTQAHOQC-UHFFFAOYSA-N 0 263.297 CD 1.695 3 Anodyne high CDABHN COc1cc(-c2cnc(N)n2C)cc(OC)c1OC COc1cc(-c2cnc(N)n2C)cc(OC)c1OC ZINC000022130287 35/45/03/171354503 UVOPWEBTQAHOQC-UHFFFAOYSA-N 1 263.297 CD 1.695 0 Anodyne ref CDABRO COc1cc(-c2c[nH+]c(N)n2C)cc(OC)c1OC O=C(O)c1nnsc1NC(=O)N1CCCCC1 ZINC000022130397 28/53/94/304285394 CUEOGJZVGSVHSD-UHFFFAOYSA-N -1 256.287 CD 1.254 0 Anodyne ref CDABRM O=C([O-])c1nnsc1NC(=O)N1CCCCC1 COc1ccc(NC(=S)CN2CCOCC2)cc1 ZINC000033373253 80/13/38/356801338 UMZDKPMGYWYSAO-UHFFFAOYSA-N 1 266.366 CD 1.767 1 Anodyne mid CDABMO COc1ccc(NC(=S)C[NH+]2CCOCC2)cc1 COc1ccc(NC(=S)CN2CCOCC2)cc1 ZINC000033373253 80/13/35/356801335 UMZDKPMGYWYSAO-UHFFFAOYSA-N 0 266.366 CD 1.767 0 Anodyne ref CDABRN COc1ccc(NC(=S)CN2CCOCC2)cc1 CCOC(=O)Cc1[nH]c(=S)[nH]c1C(=O)OCC ZINC000033373260 80/10/07/356801007 AXUZKAQMRQNRKR-UHFFFAOYSA-N -1 258.299 CD 1.355 3 Anodyne high CDABHM CCOC(=O)Cc1[nH]c(=S)[n-]c1C(=O)OCC CCOC(=O)Cc1[nH]c(=S)[nH]c1C(=O)OCC ZINC000033373260 80/09/99/356800999 AXUZKAQMRQNRKR-UHFFFAOYSA-N 0 258.299 CD 1.355 0 Anodyne ref CDABRN CCOC(=O)Cc1[nH]c(=S)[nH]c1C(=O)OCC NC(=S)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F ZINC000033373303 78/69/45/171786945 PQWOMPWOUBNGJD-SNVBAGLBSA-N 0 289.282 CD 1.591 0 Anodyne ref CDABRN NC(=S)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F NC(=S)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F ZINC000033373304 78/70/90/171787090 PQWOMPWOUBNGJD-JTQLQIEISA-N 0 289.282 CD 1.591 0 Anodyne ref CDABRN NC(=S)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F NC(=S)N1N=C(c2ccco2)C[C@@]1(O)C(F)(F)F ZINC000033373314 35/35/37/303353537 MHRIIDCTIWAHIJ-MRVPVSSYSA-N -1 279.243 CD 1.184 3 Anodyne high CDABHM NC(=S)N1NC(c2ccco2)=C[C@@]1([O-])C(F)(F)F NC(=S)N1N=C(c2ccco2)C[C@@]1(O)C(F)(F)F ZINC000033373314 35/35/34/303353534 MHRIIDCTIWAHIJ-MRVPVSSYSA-N 0 279.243 CD 1.184 0 Anodyne ref CDABRN NC(=S)N1NC(c2ccco2)=C[C@@]1(O)C(F)(F)F NC(=S)N1N=C(c2ccco2)C[C@]1(O)C(F)(F)F ZINC000033373315 80/14/01/356801401 MHRIIDCTIWAHIJ-QMMMGPOBSA-N -1 279.243 CD 1.184 3 Anodyne high CDABHM NC(=S)N1NC(c2ccco2)=C[C@]1([O-])C(F)(F)F NC(=S)N1N=C(c2ccco2)C[C@]1(O)C(F)(F)F ZINC000033373315 80/13/99/356801399 MHRIIDCTIWAHIJ-QMMMGPOBSA-N 0 279.243 CD 1.184 0 Anodyne ref CDABRN NC(=S)N1NC(c2ccco2)=C[C@]1(O)C(F)(F)F Nc1nnc(N2CCC(N3CCCCC3)CC2)s1 ZINC000033413695 32/74/50/359327450 JIZQXTXPYMFBSI-UHFFFAOYSA-N 1 267.402 CD 1.575 0 Anodyne ref CDAARO Nc1nnc(N2CCC([NH+]3CCCCC3)CC2)s1 COc1ccc(CCNc2nnc(N)s2)cc1OC ZINC000033413706 30/00/42/538300042 NYBGTMMUWOMNRW-UHFFFAOYSA-N 0 280.353 CD 1.792 0 Anodyne ref CDABRN COc1ccc(CCNc2nnc(N)s2)cc1OC COc1ccc(N2CCN(c3nnc(N)s3)CC2)cc1 ZINC000033413743 29/96/91/538299691 FRTGIVBUUQHRBQ-UHFFFAOYSA-N 0 291.38 CD 1.456 0 Clean ref CDCBRN COc1ccc(N2CCN(c3nnc(N)s3)CC2)cc1 C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H](Sc2n[nH]c(N)n2)C1 ZINC000033413766 96/98/67/364969867 MLSJHQILTQKPKV-VDDIYKPWSA-N 0 268.386 CD 1.975 0 Mild ref CDEBRN C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H](Sc2nc(N)n[nH]2)C1 C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](Sc2n[nH]c(N)n2)C1 ZINC000033413768 96/99/04/364969904 MLSJHQILTQKPKV-PTRXPTGYSA-N 0 268.386 CD 1.975 0 Mild ref CDEBRN C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](Sc2nc(N)n[nH]2)C1 C=C(C)[C@@H]1CC[C@@](C)(O)[C@H](Sc2n[nH]c(N)n2)C1 ZINC000033413771 79/09/72/171790972 MLSJHQILTQKPKV-KBVBSXBZSA-N 0 268.386 CD 1.975 0 Mild ref CDEBRN C=C(C)[C@@H]1CC[C@@](C)(O)[C@H](Sc2nc(N)n[nH]2)C1 C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Sc2n[nH]c(N)n2)C1 ZINC000033413773 96/93/84/364969384 MLSJHQILTQKPKV-LNLATYFQSA-N 0 268.386 CD 1.975 0 Mild ref CDEBRN C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Sc2nc(N)n[nH]2)C1 CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2Sc1n[nH]c(N)n1 ZINC000033413804 43/03/19/278430319 JAPFNNJHWUIFSE-QHMRUWFYSA-N 0 266.37 CD 1.873 0 Anodyne ref CDABRN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2Sc1nc(N)n[nH]1 CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2Sc1n[nH]c(N)n1 ZINC000033413806 29/93/83/538299383 JAPFNNJHWUIFSE-LTMDPNIMSA-N 0 266.37 CD 1.873 0 Anodyne ref CDABRN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2Sc1nc(N)n[nH]1 COC(=O)CCNc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000033413839 29/98/94/538299894 LDRLSSIPWURRKF-UHFFFAOYSA-N 0 289.335 CD 1.459 0 Anodyne ref CDABRN COC(=O)CCNc1c(C)n(C)n(-c2ccccc2)c1=O CCOC(=O)CNc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000033413844 81/83/83/397818383 PKVZFPDUUKJIQJ-UHFFFAOYSA-N 0 289.335 CD 1.459 0 Anodyne ref CDABRN CCOC(=O)CNc1c(C)n(C)n(-c2ccccc2)c1=O COc1ccc([C@@H]2[C@@H](C(=O)O)CCC(=O)N2C)cc1 ZINC000033413891 22/99/01/295229901 ICBHERHXGACVGQ-WCQYABFASA-N -1 263.293 CD 1.689 0 Anodyne ref CDAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])CCC(=O)N2C)cc1 O=C1O[C@H](c2ccco2)[C@@H](C(=O)O)c2cc(O)c(O)cc21 ZINC000033414026 21/21/00/304212100 JDPQVNCVFDTKGS-NWDGAFQWSA-N -2 290.227 CD 1.771 3 Clean high CDCBHL O=C1O[C@H](c2ccco2)[C@@H](C(=O)[O-])c2cc(O)c([O-])cc21 O=C1O[C@H](c2ccco2)[C@@H](C(=O)O)c2cc(O)c(O)cc21 ZINC000033414026 21/20/97/304212097 JDPQVNCVFDTKGS-NWDGAFQWSA-N -2 290.227 CD 1.771 3 Clean high CDCBHL O=C1O[C@H](c2ccco2)[C@@H](C(=O)[O-])c2cc([O-])c(O)cc21 O=C1O[C@H](c2ccco2)[C@@H](C(=O)O)c2cc(O)c(O)cc21 ZINC000033414026 21/20/90/304212090 JDPQVNCVFDTKGS-NWDGAFQWSA-N -1 290.227 CD 1.771 0 Clean ref CDCBRM O=C1O[C@H](c2ccco2)[C@@H](C(=O)[O-])c2cc(O)c(O)cc21 COc1ccc(NC(=O)Nc2snnc2C(=O)O)cc1 ZINC000033414064 81/86/42/397818642 FCQYUEROJKDFPL-UHFFFAOYSA-N -1 294.292 CD 1.889 0 Anodyne ref CDABRM COc1ccc(NC(=O)Nc2snnc2C(=O)[O-])cc1 O=C(NCc1cccc(F)c1)Nc1snnc1C(=O)O ZINC000033436187 68/31/31/359683131 ATUXMTYVKSXMEM-UHFFFAOYSA-N -1 296.283 CD 1.697 0 Anodyne ref CDAARM O=C(NCc1cccc(F)c1)Nc1snnc1C(=O)[O-] O=C(NCc1cccs1)Nc1snnc1C(=O)O ZINC000033436188 33/26/10/359332610 RXEBPKWRUKWNEN-UHFFFAOYSA-N -1 284.322 CD 1.619 0 Anodyne ref CDAARM O=C(NCc1cccs1)Nc1snnc1C(=O)[O-] O=C(O)CCC[C@H]1NC[C@H]2CCCN3CCC[C@H]1[C@@H]23 ZINC000034766459 05/17/89/304051789 AZXHMEMRJYOODA-RGCMKSIDSA-N 1 266.385 CD 1.704 1 Anodyne mid CDABMO O=C([O-])CCC[C@H]1[NH2+]C[C@H]2CCC[N@H+]3CCC[C@H]1[C@@H]23 O=C(O)CCC[C@H]1NC[C@H]2CCCN3CCC[C@H]1[C@@H]23 ZINC000034766459 05/17/88/304051788 AZXHMEMRJYOODA-RGCMKSIDSA-N 1 266.385 CD 1.704 1 Anodyne mid CDABMO O=C([O-])CCC[C@H]1[NH2+]C[C@H]2CCC[N@@H+]3CCC[C@H]1[C@@H]23 O=C(O)CCC[C@H]1NC[C@H]2CCCN3CCC[C@H]1[C@@H]23 ZINC000034766459 05/17/86/304051786 AZXHMEMRJYOODA-RGCMKSIDSA-N 0 266.385 CD 1.704 0 Anodyne ref CDABRN O=C([O-])CCC[C@H]1[NH2+]C[C@H]2CCCN3CCC[C@H]1[C@@H]23 O=C(O)CCC[C@H]1NC[C@@H]2CCCN3CCC[C@H]1[C@@H]23 ZINC000034766463 05/17/64/304051764 AZXHMEMRJYOODA-KYEXWDHISA-N 1 266.385 CD 1.704 1 Anodyne mid CDABMO O=C([O-])CCC[C@H]1[NH2+]C[C@@H]2CCC[N@H+]3CCC[C@H]1[C@@H]23 O=C(O)CCC[C@H]1NC[C@@H]2CCCN3CCC[C@H]1[C@@H]23 ZINC000034766463 05/17/62/304051762 AZXHMEMRJYOODA-KYEXWDHISA-N 1 266.385 CD 1.704 1 Anodyne mid CDABMO O=C([O-])CCC[C@H]1[NH2+]C[C@@H]2CCC[N@@H+]3CCC[C@H]1[C@@H]23 O=C(O)CCC[C@H]1NC[C@@H]2CCCN3CCC[C@H]1[C@@H]23 ZINC000034766463 05/17/60/304051760 AZXHMEMRJYOODA-KYEXWDHISA-N 0 266.385 CD 1.704 0 Anodyne ref CDABRN O=C([O-])CCC[C@H]1[NH2+]C[C@@H]2CCCN3CCC[C@H]1[C@@H]23 O=C(O)CCC[C@@H]1NC[C@H]2CCCN3CCC[C@H]1[C@@H]23 ZINC000034766468 05/17/20/304051720 AZXHMEMRJYOODA-GUIRCDHDSA-N 1 266.385 CD 1.704 1 Anodyne mid CDABMO O=C([O-])CCC[C@@H]1[NH2+]C[C@H]2CCC[N@H+]3CCC[C@H]1[C@@H]23 O=C(O)CCC[C@@H]1NC[C@H]2CCCN3CCC[C@H]1[C@@H]23 ZINC000034766468 05/17/19/304051719 AZXHMEMRJYOODA-GUIRCDHDSA-N 1 266.385 CD 1.704 1 Anodyne mid CDABMO O=C([O-])CCC[C@@H]1[NH2+]C[C@H]2CCC[N@@H+]3CCC[C@H]1[C@@H]23 O=C(O)CCC[C@@H]1NC[C@H]2CCCN3CCC[C@H]1[C@@H]23 ZINC000034766468 05/17/16/304051716 AZXHMEMRJYOODA-GUIRCDHDSA-N 0 266.385 CD 1.704 0 Anodyne ref CDABRN O=C([O-])CCC[C@@H]1[NH2+]C[C@H]2CCCN3CCC[C@H]1[C@@H]23