COc1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000000028410 68/73/43/401687343 WPBSECKAKWJQLM-UHFFFAOYSA-N 0 320.37 DE 2.454 1 Anodyne mid DEAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 COc1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000000028410 68/73/42/401687342 WPBSECKAKWJQLM-UHFFFAOYSA-N -1 320.37 DE 2.454 0 Anodyne ref DEAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000000028411 67/12/10/180671210 DRSDJLDHDNMXDC-UHFFFAOYSA-N 0 304.371 DE 2.123 0 Anodyne ref DEAARN CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000000029696 68/73/91/401687391 ZZAAROUDTCTVDL-UHFFFAOYSA-N 0 304.371 DE 2.47 0 Anodyne ref DEAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000000029703 68/73/35/401687335 IXTPVFWNVNHEGT-UHFFFAOYSA-N 0 318.398 DE 2.166 0 Anodyne ref DEAARN CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000000038378 68/75/51/401687551 WQFWXJAIEJJFJR-UHFFFAOYSA-N 0 309.119 DE 2.393 0 Anodyne ref DEAARN NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 CC(=O)Oc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000000038537 68/75/52/401687552 OKHHPHYCAPTTMS-UHFFFAOYSA-N 0 313.309 DE 2.271 0 Anodyne ref DEAARN CC(=O)Oc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 CC(=O)N(C)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 ZINC000000038608 68/74/98/401687498 NBYSTXJLKFMDBD-GJZGRUSLSA-N -1 318.373 DE 2.499 0 Anodyne ref DEAARM CC(=O)N(C)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 CC(=O)N(C)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 ZINC000000038609 68/74/60/401687460 NBYSTXJLKFMDBD-CABCVRRESA-N -1 318.373 DE 2.499 0 Anodyne ref DEAARM CC(=O)N(C)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)no1 ZINC000000039341 68/75/70/401687570 JHFJWXJQXJZBRA-UHFFFAOYSA-N 0 321.358 DE 2.132 2 Anodyne low DEAALN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)no1 Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)no1 ZINC000000039341 68/75/69/401687569 JHFJWXJQXJZBRA-UHFFFAOYSA-N -1 321.358 DE 2.132 0 Anodyne ref DEAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)no1 CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 ZINC000000042477 98/33/48/263983348 HZGLSRRJJPBBEW-HNNXBMFYSA-N 0 314.341 DE 2.34 0 Reactive ref DEGARN CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1 ZINC000000043655 98/28/57/263982857 QQJBINHJTREUDV-CQSZACIVSA-N 0 302.305 DE 2.47 0 Reactive ref DEGARN CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1 Cc1sc(NC(=O)c2ccccc2C(=O)O)c(C(N)=O)c1C ZINC000000045826 68/74/85/401687485 OPQDHGPIIGVNSA-UHFFFAOYSA-N -1 318.354 DE 2.414 0 Anodyne ref DEAARM Cc1sc(NC(=O)c2ccccc2C(=O)[O-])c(C(N)=O)c1C COC(=O)c1ccccc1NC(=O)COc1ccc(OC)cc1 ZINC000000047238 68/75/56/401687556 AORWTQIJGXDDSA-UHFFFAOYSA-N 0 315.325 DE 2.499 0 Anodyne ref DEAARN COC(=O)c1ccccc1NC(=O)COc1ccc(OC)cc1 CCOc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000000061338 68/76/48/401687648 DPTCTROVJZKUSN-GZTJUZNOSA-N 0 304.371 DE 2.483 0 Mild ref DEEARN CCOc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1 CCN(CC)c1ccc(/C=N/NC(=O)c2ccncc2)c(O)c1 ZINC000000061619 17/71/72/560177172 GWQPCBPAOAFXSJ-XDHOZWIPSA-N -1 312.373 DE 2.397 3 Reactive high DEGAHM CCN(CC)c1ccc(/C=N/NC(=O)c2ccncc2)c([O-])c1 in-vitro CCN(CC)c1ccc(/C=N/NC(=O)c2ccncc2)c(O)c1 ZINC000000061619 17/71/69/560177169 GWQPCBPAOAFXSJ-XDHOZWIPSA-N 0 312.373 DE 2.397 0 Reactive ref DEGARN CCN(CC)c1ccc(/C=N/NC(=O)c2ccncc2)c(O)c1 in-vitro O=C(Cc1ccccc1)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000000064866 68/76/51/401687651 RKYWZUPLHLLXPD-UHFFFAOYSA-N 0 322.408 DE 2.143 0 Anodyne ref DEAARN O=C(Cc1ccccc1)N1CCN(C(=O)Cc2ccccc2)CC1 CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000000068538 68/77/14/401687714 XTRZAZSWJSBAOV-UHFFFAOYSA-N 0 311.388 DE 2.292 2 Anodyne low DEAALN CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000000068538 68/77/13/401687713 XTRZAZSWJSBAOV-UHFFFAOYSA-N -1 311.388 DE 2.292 0 Anodyne ref DEAARM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ccco1)c1ccco1 ZINC000000070288 72/17/17/295721717 LQIWHZFPZLBLPS-VXGBXAGGSA-N 0 302.33 DE 2.344 0 Anodyne ref DEAARN O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ccco1)c1ccco1 O=C(N[C@H]1CCCC[C@@H]1NC(=O)c1ccco1)c1ccco1 ZINC000000070291 95/18/75/303951875 LQIWHZFPZLBLPS-RYUDHWBXSA-N 0 302.33 DE 2.344 0 Anodyne ref DEAARN O=C(N[C@H]1CCCC[C@@H]1NC(=O)c1ccco1)c1ccco1 CCOc1cc(/C=N/n2c(C)cc(C)c(C#N)c2=O)ccc1O ZINC000000075915 68/77/27/401687727 HLKOUKRYLRMQNC-VXLYETTFSA-N 0 311.341 DE 2.323 0 Mild ref DEEARN CCOc1cc(/C=N/n2c(C)cc(C)c(C#N)c2=O)ccc1O Cc1cc(C)n(/N=C/c2ccc([N+](=O)[O-])s2)c(=O)c1C#N ZINC000000075966 68/77/72/401687772 XZDFMZCSEWFXSF-VIZOYTHASA-N 0 302.315 DE 2.189 0 Mild ref DEEARN Cc1cc(C)n(/N=C/c2ccc([N+](=O)[O-])s2)c(=O)c1C#N CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 ZINC000000093573 68/80/40/401688040 ZEFAIIMWAHCEND-UHFFFAOYSA-N 0 309.347 DE 2.132 2 Anodyne low DEAALN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 ZINC000000093573 68/80/39/401688039 ZEFAIIMWAHCEND-UHFFFAOYSA-N -1 309.347 DE 2.132 0 Anodyne ref DEAARM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 COC(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1 ZINC000000116377 68/82/63/401688263 CNSQIZJNUWRLLQ-UHFFFAOYSA-N 0 315.325 DE 2.499 0 Anodyne ref DEAARN COC(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1 COc1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)cc1OC ZINC000000116418 68/82/08/401688208 HQGBWLXJHFBRHA-VXLYETTFSA-N 0 311.341 DE 2.236 0 Mild ref DEEARN COc1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)cc1OC CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000000121263 68/82/57/401688257 SFIYOHMWFOWTTD-UHFFFAOYSA-N 0 318.398 DE 2.466 0 Anodyne ref DEAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 NC(=O)c1ccccc1NC(=O)c1ccc(Br)o1 ZINC000000142080 68/84/68/401688468 WBPJTKJDMFBRFK-UHFFFAOYSA-N 0 309.119 DE 2.393 0 Anodyne ref DEAARN NC(=O)c1ccccc1NC(=O)c1ccc(Br)o1 NC(=O)COc1ccc(Br)cc1Br ZINC000000142654 68/85/22/401688522 FYPOAWJNUWQTCA-UHFFFAOYSA-N 0 308.957 DE 2.076 0 Anodyne ref DEAARN NC(=O)COc1ccc(Br)cc1Br Cc1cc(Br)cc(Br)c1OCC(N)=O ZINC000000142668 68/84/78/401688478 VPVWIPCHRPGPFN-UHFFFAOYSA-N 0 322.984 DE 2.384 0 Anodyne ref DEAARN Cc1cc(Br)cc(Br)c1OCC(N)=O CC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1 ZINC000000142786 20/02/07/278200207 HICVGWDOEAENSY-UONOGXRCSA-N -1 304.346 DE 2.474 0 Anodyne ref DEAARM CC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1 ZINC000000142789 68/84/88/401688488 HICVGWDOEAENSY-ZIAGYGMSSA-N -1 304.346 DE 2.474 0 Anodyne ref DEAARM CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 CC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 ZINC000000142792 68/84/85/401688485 HICVGWDOEAENSY-KBPBESRZSA-N -1 304.346 DE 2.474 0 Anodyne ref DEAARM CC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 ZINC000000142793 19/97/96/278199796 HICVGWDOEAENSY-KGLIPLIRSA-N -1 304.346 DE 2.474 0 Anodyne ref DEAARM CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 NS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000000143357 68/85/21/401688521 OOWRWZBEYIUVQH-UHFFFAOYSA-N 0 307.4 DE 2.143 0 Anodyne ref DEAARN NS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 COc1ccc(C(=O)NC[C@H]2CCCO2)cc1Br ZINC000000143561 68/84/67/401688467 IPSYVIKUJIOJLT-SNVBAGLBSA-N 0 314.179 DE 2.367 0 Anodyne ref DEAARN COc1ccc(C(=O)NC[C@H]2CCCO2)cc1Br COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1Br ZINC000000143562 68/85/29/401688529 IPSYVIKUJIOJLT-JTQLQIEISA-N 0 314.179 DE 2.367 0 Anodyne ref DEAARN COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1Br COC(=O)c1ccccc1NC(=S)NC(=O)c1ccco1 ZINC000000170806 68/91/26/401689126 RBAAYMPRANXUMK-UHFFFAOYSA-N 0 304.327 DE 2.193 0 Anodyne ref DEAARN COC(=O)c1ccccc1NC(=S)NC(=O)c1ccco1 CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000000174005 68/90/72/401689072 UTRLGWRULBAZCC-UHFFFAOYSA-N 0 324.324 DE 2.218 0 Anodyne ref DEAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 O=C(NN1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1 ZINC000000238818 69/17/84/401691784 RCKVLSGVNQYHIH-UHFFFAOYSA-N -1 300.701 DE 2.281 3 Anodyne high DEAAHM O=C([N-]N1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1 O=C(NN1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1 ZINC000000238818 69/17/82/401691782 RCKVLSGVNQYHIH-UHFFFAOYSA-N 0 300.701 DE 2.281 0 Anodyne ref DEAARN O=C(NN1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1 COC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O ZINC000000256926 69/24/58/401692458 DEAVWQSRBJQFEW-WDEREUQCSA-N -1 305.33 DE 2.303 0 Anodyne ref DEAARM COC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] COC(=O)c1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O ZINC000000256934 69/24/04/401692404 DEAVWQSRBJQFEW-GHMZBOCLSA-N -1 305.33 DE 2.303 0 Anodyne ref DEAARM COC(=O)c1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] COC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O ZINC000000256940 02/53/82/292025382 DEAVWQSRBJQFEW-QWRGUYRKSA-N -1 305.33 DE 2.303 0 Anodyne ref DEAARM COC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] COC(=O)c1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O ZINC000000256944 69/24/44/401692444 DEAVWQSRBJQFEW-MNOVXSKESA-N -1 305.33 DE 2.303 0 Anodyne ref DEAARM COC(=O)c1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] O=C(NC(=S)N1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000000278167 69/35/60/401693560 LFKAELBBKHVQJD-UHFFFAOYSA-N 0 307.375 DE 2.486 0 Bother ref DEBARN O=C(NC(=S)N1CCCCCC1)c1ccc([N+](=O)[O-])cc1 CCOC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000289291 62/04/43/263620443 DSXAYRSKYQCSCC-BJMVGYQFSA-N 0 306.274 DE 2.082 0 Reactive ref DEGARN CCOC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1[N+](=O)[O-] O=S(=O)(Cc1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000000291916 69/36/63/401693663 DYMKKFKKHWXYAI-UHFFFAOYSA-N 0 305.355 DE 2.035 0 Anodyne ref DEAARN O=S(=O)(Cc1ccccc1)NCc1ccc2c(c1)OCO2 Cc1ccc(S(=O)(=O)N(CCO)Cc2ccccc2)cc1 ZINC000000293278 75/01/53/180750153 QTZMVOQSYGIBAX-UHFFFAOYSA-N 0 305.399 DE 2.178 0 Anodyne ref DEAARN Cc1ccc(S(=O)(=O)N(CCO)Cc2ccccc2)cc1 CC1CCN(S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000000310075 69/40/77/401694077 ZGEHAWINSWBHBM-UHFFFAOYSA-N 0 322.43 DE 2.456 0 Anodyne ref DEAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC1 ZINC000000311833 69/46/86/401694686 MSYIQQYULMRKSL-UHFFFAOYSA-N 0 323.399 DE 2.292 2 Anodyne low DEAALN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC1 O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC1 ZINC000000311833 69/46/83/401694683 MSYIQQYULMRKSL-UHFFFAOYSA-N -1 323.399 DE 2.292 0 Anodyne ref DEAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1CC1 O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2ccccc21 ZINC000000333736 69/49/01/401694901 FVZCYSLFLGOGBS-UHFFFAOYSA-N 0 304.327 DE 2.346 0 Bother ref DEBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2ccccc21 CCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000000357491 69/49/73/401694973 CBWSCYBCEJLNAY-UHFFFAOYSA-N 0 310.419 DE 2.456 0 Anodyne ref DEAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 CC(=O)N(C)c1ccc(NN=C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000000358133 76/58/97/180765897 JJIZWQGZNFSURE-UHFFFAOYSA-N 0 315.373 DE 2.395 0 Mild ref DEEARN CC(=O)N(C)c1ccc(NN=C2C(=O)CC(C)(C)CC2=O)cc1 O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CC1 ZINC000000358506 69/48/75/401694875 MWFAQNDHELOASW-UHFFFAOYSA-N 0 308.403 DE 2.21 0 Anodyne ref DEAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CC1 Cc1cc(C)cc(OCC(=O)NN2C(=O)c3ccccc3C2=O)c1 ZINC000000359135 46/17/14/331461714 FAKNAVMXLBQEFA-UHFFFAOYSA-N 0 324.336 DE 2.01 0 Anodyne ref DEAARN Cc1cc(C)cc(OCC(=O)NN2C(=O)c3ccccc3C2=O)c1 COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000362791 69/59/11/401695911 UGQAMOBKUXTNCT-UHFFFAOYSA-N 0 308.315 DE 2.404 2 Bother low DEBALN COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000362791 69/59/08/401695908 UGQAMOBKUXTNCT-UHFFFAOYSA-N -1 308.315 DE 2.404 0 Bother ref DEBARM COc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 O=C(NN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000000368054 01/37/14/284013714 AYXSGQNAJIBKQU-UHFFFAOYSA-N 0 300.701 DE 2.281 0 Anodyne ref DEAARN O=C(NN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 O=C(O)CCC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000000386862 69/62/84/401696284 GLHBEGVYVBHTQV-UHFFFAOYSA-N -1 316.313 DE 2.013 0 Anodyne ref DEAARM O=C([O-])CCC(=O)Nc1ccccc1C(=O)NCc1ccco1 NC(=O)c1ccccc1NC(=O)COc1ccccc1Cl ZINC000000436021 69/81/12/401698112 FKMSCQICXAGHMM-UHFFFAOYSA-N 0 304.733 DE 2.456 0 Anodyne ref DEAARN NC(=O)c1ccccc1NC(=O)COc1ccccc1Cl O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccco1 ZINC000000477568 69/91/16/401699116 YNUMVRJFHUQIMP-UHFFFAOYSA-N 0 300.314 DE 2.004 0 Anodyne ref DEAARN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccco1 O=C(NN1C(=O)c2ccccc2C1=O)c1ccccc1Cl ZINC000000493302 69/96/92/401699692 NOYVZQITTIUCHO-UHFFFAOYSA-N -1 300.701 DE 2.281 1 Anodyne mid DEAAMM O=C([N-]N1C(=O)c2ccccc2C1=O)c1ccccc1Cl O=C(NN1C(=O)c2ccccc2C1=O)c1ccccc1Cl ZINC000000493302 69/96/90/401699690 NOYVZQITTIUCHO-UHFFFAOYSA-N 0 300.701 DE 2.281 0 Anodyne ref DEAARN O=C(NN1C(=O)c2ccccc2C1=O)c1ccccc1Cl O=C(NC(=S)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000000503183 46/32/80/331463280 JGQBXYQUZSINKB-UHFFFAOYSA-N 0 307.375 DE 2.486 0 Bother ref DEBARN O=C(NC(=S)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 O=C(NC(=S)Nc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000000513305 53/03/89/262530389 FCYQJVAWMILNBD-UHFFFAOYSA-N 0 302.315 DE 2.117 0 Bother ref DEBARN O=C(NC(=S)Nc1ccccn1)c1ccccc1[N+](=O)[O-] CN(C)S(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000000556177 82/08/77/180820877 LULZCOCAAZHVFX-UHFFFAOYSA-N 0 310.419 DE 2.456 0 Anodyne ref DEAARN CN(C)S(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1 CCOC(=O)N1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000000556257 70/11/91/401701191 JMEFYMAHOLOMEX-VMPITWQZSA-N 0 306.337 DE 2.14 0 Anodyne ref DEAARN CCOC(=O)N1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 COc1ccc(CC(=O)NC(=S)Nc2nccs2)cc1 ZINC000000587031 70/16/25/401701625 MXCPHQCTIGNRCV-UHFFFAOYSA-N 0 307.4 DE 2.207 0 Anodyne ref DEAARN COc1ccc(CC(=O)NC(=S)Nc2nccs2)cc1 CC(=O)N(C)c1ccc(NC(=S)NC(=O)c2ccco2)cc1 ZINC000000587161 70/17/43/401701743 UXOKAQULCAWEID-UHFFFAOYSA-N 0 317.37 DE 2.389 0 Anodyne ref DEAARN CC(=O)N(C)c1ccc(NC(=S)NC(=O)c2ccco2)cc1 Cc1ccc(OCC(=O)NN2C(=O)c3ccccc3C2=O)c(C)c1 ZINC000000587207 82/65/52/180826552 KPHGHVBKOFCERJ-UHFFFAOYSA-N 0 324.336 DE 2.01 0 Anodyne ref DEAARN Cc1ccc(OCC(=O)NN2C(=O)c3ccccc3C2=O)c(C)c1 O=C(NC(=S)NCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000000587218 70/16/57/401701657 RCIZVLCKZKNWCL-UHFFFAOYSA-N 0 315.354 DE 2.399 0 Bother ref DEBARN O=C(NC(=S)NCc1ccccc1)c1ccccc1[N+](=O)[O-] O=C(NC(=S)Nc1ccc(O)cc1)c1ccccc1[N+](=O)[O-] ZINC000000587248 70/17/00/401701700 DQYLTZNTTFCAIL-UHFFFAOYSA-N 0 317.326 DE 2.427 0 Bother ref DEBARN O=C(NC(=S)Nc1ccc(O)cc1)c1ccccc1[N+](=O)[O-] CC(=O)NC(=S)Nc1ccc(I)cc1 ZINC000000615324 07/81/54/278078154 AJQKIFHIPADKKG-UHFFFAOYSA-N 0 320.155 DE 2.124 0 Anodyne ref DEAARN CC(=O)NC(=S)Nc1ccc(I)cc1 CC(C)c1ccc(/C=N/N=C2/NC(=O)[C@H](CC(=O)O)S2)cc1 ZINC000001045277 84/28/75/180842875 DTEAZCJUKPARQD-WIJRQFRKSA-N -1 319.386 DE 2.206 1 Mild mid DEEAMM CC(C)c1ccc(/C=N/N=C2/NC(=O)C(CC(=O)[O-])S2)cc1 CC(C)c1ccc(/C=N/N=C2/NC(=O)[C@H](CC(=O)O)S2)cc1 ZINC000001045277 84/28/73/180842873 DTEAZCJUKPARQD-WIJRQFRKSA-N -1 319.386 DE 2.206 0 Mild ref DEEARM CC(C)c1ccc(/C=N/N=C2/NC(=O)[C@H](CC(=O)[O-])S2)cc1 CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000001050574 70/38/70/401703870 ZPLUPHOPWUCUHM-UHFFFAOYSA-N 0 308.359 DE 2.219 0 Anodyne ref DEAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)C(C)(C)C ZINC000001069896 84/54/43/180845443 XPAZDNGTFKILAU-UHFFFAOYSA-N 0 311.363 DE 2.463 0 Bother ref DEBARN COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)C(C)(C)C COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)C1CCC1 ZINC000001236199 70/43/50/401704350 NFFXLBOULWRCRD-UHFFFAOYSA-N 0 309.347 DE 2.216 0 Bother ref DEBARN COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)C1CCC1 COc1ccccc1/C=C/C(=O)NC(=S)NCc1ccco1 ZINC000001236212 70/47/51/401704751 OWWSZHMWBHROKQ-CMDGGOBGSA-N 0 316.382 DE 2.492 0 Anodyne ref DEAARN COc1ccccc1C=CC(=O)NC(=S)NCc1ccco1 CN(C)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1 ZINC000001298467 70/53/52/401705352 VKXDRZNNNZATMI-JXMROGBWSA-N 0 320.37 DE 2.182 0 Anodyne ref DEAARN CN(C)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1 O=C(Cc1ccccc1)NCCCNC(=O)Cc1ccccc1 ZINC000001752302 71/05/55/401710555 SSRVKABZYRFQJT-UHFFFAOYSA-N 0 310.397 DE 2.094 0 Anodyne ref DEAARN O=C(Cc1ccccc1)NCCCNC(=O)Cc1ccccc1 O=C(NCCNC(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000001794688 71/12/10/401711210 VKIVGYUEVMMEOQ-UHFFFAOYSA-N 0 304.296 DE 2.125 0 Anodyne ref DEAARN O=C(NCCNC(=O)c1ccc(F)cc1)c1ccc(F)cc1 O=C(NCc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000001893892 71/09/87/401710987 AMFBHWVWVXONAJ-UHFFFAOYSA-N 0 301.258 DE 2.433 0 Bother ref DEBARN O=C(NCc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] O=C(O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000001926541 71/09/85/401710985 FCHXOYAXNIIPCJ-QGZVFWFLSA-N 0 324.38 DE 2.129 1 Anodyne mid DEAAMN O=C([O-])C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 O=C(O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000001926541 71/09/82/401710982 FCHXOYAXNIIPCJ-QGZVFWFLSA-N 0 324.38 DE 2.129 1 Anodyne mid DEAAMN O=C([O-])C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 O=C(O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000001926541 71/09/79/401710979 FCHXOYAXNIIPCJ-QGZVFWFLSA-N 0 324.38 DE 2.129 0 Anodyne ref DEAARN O=C([O-])C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 O=C(O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000001926543 71/09/27/401710927 FCHXOYAXNIIPCJ-KRWDZBQOSA-N 0 324.38 DE 2.129 1 Anodyne mid DEAAMN O=C([O-])C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 O=C(O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000001926543 71/09/26/401710926 FCHXOYAXNIIPCJ-KRWDZBQOSA-N 0 324.38 DE 2.129 1 Anodyne mid DEAAMN O=C([O-])C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 O=C(O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000001926543 71/09/24/401710924 FCHXOYAXNIIPCJ-KRWDZBQOSA-N 0 324.38 DE 2.129 0 Anodyne ref DEAARN O=C([O-])C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 O=C(NCc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002031393 71/17/24/401711724 IKLMVWNXNBFJRE-UHFFFAOYSA-N 0 301.258 DE 2.433 0 Bother ref DEBARN O=C(NCc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 Cc1cc(C)c(S(=O)(=O)NCCCn2ccnc2)c(C)c1 ZINC000002062064 71/17/13/401711713 MCEKTYMDWHRZJK-UHFFFAOYSA-N 1 307.419 DE 2.177 2 Anodyne low DEAALO Cc1cc(C)c(S(=O)(=O)NCCCn2cc[nH+]c2)c(C)c1 Cc1cc(C)c(S(=O)(=O)NCCCn2ccnc2)c(C)c1 ZINC000002062064 71/17/11/401711711 MCEKTYMDWHRZJK-UHFFFAOYSA-N 0 307.419 DE 2.177 0 Anodyne ref DEAARN Cc1cc(C)c(S(=O)(=O)NCCCn2ccnc2)c(C)c1 Cc1sc(NC(=S)NC(=O)c2ccco2)c(C(N)=O)c1C ZINC000002135684 07/80/88/294078088 OHSPLKLDTUQFKX-UHFFFAOYSA-N 0 323.399 DE 2.184 0 Anodyne ref DEAARN Cc1sc(NC(=S)NC(=O)c2ccco2)c(C(N)=O)c1C CC(C)NC(=S)NC(=O)c1ccccc1Br ZINC000002136309 71/22/35/401712235 MRRUMNQUMBRIAW-UHFFFAOYSA-N 0 301.209 DE 2.462 0 Anodyne ref DEAARN CC(C)NC(=S)NC(=O)c1ccccc1Br C=CCNC(=O)c1ccc(OC)c(I)c1 ZINC000002137225 71/20/17/401712017 YHORZHLFYHJXIJ-UHFFFAOYSA-N 0 317.126 DE 2.216 0 Mild ref DEEARN C=CCNC(=O)c1ccc(OC)c(I)c1