CC1(C)OC(=O)N2CCN3C(=O)OC(C)(C)[C@]3(C)C=C21 ZINC000000052075 39/96/60/281399660 HBCOCXXVGIEYLX-AWEZNQCLSA-N 0 280.324 CE 2.104 0 Anodyne ref CEAARN CC1(C)OC(=O)N2CCN3C(=O)OC(C)(C)[C@]3(C)C=C21 CC1(C)OC(=O)N2CCN3C(=O)OC(C)(C)[C@@]3(C)C=C21 ZINC000000052076 39/96/46/281399646 HBCOCXXVGIEYLX-CQSZACIVSA-N 0 280.324 CE 2.104 0 Anodyne ref CEAARN CC1(C)OC(=O)N2CCN3C(=O)OC(C)(C)[C@@]3(C)C=C21 Nc1c(Br)cc(Br)cc1C(=O)O ZINC000000056723 12/25/47/361122547 WNABMWFLKQEGCP-UHFFFAOYSA-N -1 294.93 CE 2.492 0 Anodyne ref CEAARM Nc1c(Br)cc(Br)cc1C(=O)[O-] in-vitro CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O ZINC000000058218 24/24/36/278242436 CLNIBJASCGZXHH-UHFFFAOYSA-N 0 260.043 CE 2.266 2 Bother low CEBALN CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O ZINC000000058218 24/24/34/278242434 CLNIBJASCGZXHH-UHFFFAOYSA-N -1 260.043 CE 2.266 0 Bother ref CEBARM CC(=O)c1cc(Br)cc([N+](=O)[O-])c1[O-] CC(=O)c1c(O)cc2n(c1=O)-c1ccccc1C2(C)C ZINC000000068471 10/27/79/277102779 LIWZPPRZFROYBJ-UHFFFAOYSA-N 0 269.3 CE 2.385 1 Anodyne mid CEAAMN CC(=O)c1c(O)cc2n(c1=O)-c1ccccc1C2(C)C CC(=O)c1c(O)cc2n(c1=O)-c1ccccc1C2(C)C ZINC000000068471 10/27/78/277102778 LIWZPPRZFROYBJ-UHFFFAOYSA-N -1 269.3 CE 2.385 0 Anodyne ref CEAARM CC(=O)c1c([O-])cc2n(c1=O)-c1ccccc1C2(C)C O=C(O)/C=C/C(=O)Nc1ccc(Br)cc1 ZINC000000075351 12/37/30/361123730 DSNFUZCLEZJCRN-AATRIKPKSA-N -1 270.082 CE 2.028 0 Anodyne ref CEAARM O=C([O-])/C=C/C(=O)Nc1ccc(Br)cc1 CC(=O)Nc1ccc(I)cc1 ZINC000000078961 07/73/43/277077343 SIULLDWIXYYVCU-UHFFFAOYSA-N 0 261.062 CE 2.25 0 Anodyne ref CEAARN CC(=O)Nc1ccc(I)cc1 Clc1cc(N2CCCC2)nc(N2CCCC2)n1 ZINC000000087028 29/09/57/279290957 AAFYAIHAKSPWOE-UHFFFAOYSA-N 0 252.749 CE 2.33 0 Anodyne ref CEAARN Clc1cc(N2CCCC2)nc(N2CCCC2)n1 CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O ZINC000000105351 89/48/58/279894858 CANZBRDGRHNSGZ-LLVKDONJSA-N -1 251.282 CE 2.022 0 Anodyne ref CEAARM CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] O=C1C(Cl)=C(Cl)C(=O)N1Cc1ccccc1 ZINC000000114873 78/02/42/284780242 AMPIBHISOFMVMB-UHFFFAOYSA-N 0 256.088 CE 2.245 0 Anodyne ref CEAARN O=C1C(Cl)=C(Cl)C(=O)N1Cc1ccccc1 CN(C1CCCCC1)S(=O)(=O)c1ccc(N)cc1 ZINC000000122548 13/14/02/361131402 BIWPQNWGSVWCPP-UHFFFAOYSA-N 0 268.382 CE 2.222 0 Anodyne ref CEAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(N)cc1 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O ZINC000000135711 31/23/56/280312356 CANZBRDGRHNSGZ-NSHDSACASA-N -1 251.282 CE 2.022 0 Anodyne ref CEAARM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000000143129 13/51/13/361135113 XKBHHJLZPOQOFS-UHFFFAOYSA-N 0 274.345 CE 2.02 0 Anodyne ref CEAARN Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 Cc1ccc(S(=O)(=O)N/N=C/c2cccs2)cc1 ZINC000000150746 13/61/39/361136139 PMRVBPJVOSPFOE-UKTHLTGXSA-N 0 280.374 CE 2.369 0 Mild ref CEEARN Cc1ccc(S(=O)(=O)N/N=C/c2cccs2)cc1 O=Cc1cc(Br)c(O)c(Br)c1O ZINC000000151794 13/62/58/361136258 JEFPULPKKGELPK-UHFFFAOYSA-N -2 295.914 CE 2.435 1 Anodyne mid CEAAML O=Cc1cc(Br)c([O-])c(Br)c1[O-] O=Cc1cc(Br)c(O)c(Br)c1O ZINC000000151794 13/62/53/361136253 JEFPULPKKGELPK-UHFFFAOYSA-N -1 295.914 CE 2.435 0 Anodyne ref CEAARM O=Cc1cc(Br)c([O-])c(Br)c1O CCOC(=O)C1=C(Nc2ccccc2)SCC1=O ZINC000000169827 13/85/09/361138509 YRQHGQZNSXMEGA-UHFFFAOYSA-N -1 263.318 CE 2.189 3 Mild high CEEAHM CCOC(=O)c1c([O-])csc1Nc1ccccc1 CCOC(=O)C1=C(Nc2ccccc2)SCC1=O ZINC000000169827 13/85/02/361138502 YRQHGQZNSXMEGA-UHFFFAOYSA-N 0 263.318 CE 2.189 1 Mild mid CEEAMN CCOC(=O)c1c(O)csc1Nc1ccccc1 CCOC(=O)C1=C(Nc2ccccc2)SCC1=O ZINC000000169827 13/84/91/361138491 YRQHGQZNSXMEGA-UHFFFAOYSA-N -1 263.318 CE 2.189 0 Mild ref CEEARM CCOC(=O)C1=C([O-])CSC1=Nc1ccccc1 CCOC(=O)c1ccc2nc(NC(C)=O)sc2c1 ZINC000000175334 14/00/72/361140072 QAJGZBLGLSUJGX-UHFFFAOYSA-N 0 264.306 CE 2.431 0 Anodyne ref CEAARN CCOC(=O)c1ccc2nc(NC(C)=O)sc2c1 O=C(O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000000192561 24/09/19/304240919 NIHMCLGGARGAHJ-UHFFFAOYSA-N -1 281.267 CE 2.181 0 Anodyne ref CEAARM O=C([O-])c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 CCOC(=O)c1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC=O ZINC000000206968 14/54/18/361145418 MXEQDRYQXJDDCX-AWEZNQCLSA-N 0 286.331 CE 2.468 0 Anodyne ref CEAARN CCOC(=O)c1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC=O CCOC(=O)c1ccc2[nH]c3c(c2c1)CCC[C@H]3NC=O ZINC000000206970 14/52/88/361145288 MXEQDRYQXJDDCX-CQSZACIVSA-N 0 286.331 CE 2.468 0 Anodyne ref CEAARN CCOC(=O)c1ccc2[nH]c3c(c2c1)CCC[C@H]3NC=O Cc1cccn2c(=O)c(C=O)c(N3CCC(C)CC3)nc12 ZINC000000238344 96/90/69/278969069 TWNYXSVEXVQJOL-UHFFFAOYSA-N 0 285.347 CE 2.052 0 Anodyne ref CEAARN Cc1cccn2c(=O)c(C=O)c(N3CCC(C)CC3)nc12 C[C@]1(O)N(Cc2cccnc2)C(=O)OC12CCCCC2 ZINC000000268162 15/40/42/361154042 RORJMGWQJLFVAD-CQSZACIVSA-N 0 276.336 CE 2.445 0 Anodyne ref CEAARN C[C@]1(O)N(Cc2cccnc2)C(=O)OC12CCCCC2 C[C@@]1(O)N(Cc2cccnc2)C(=O)OC12CCCCC2 ZINC000000268163 44/89/99/394448999 RORJMGWQJLFVAD-AWEZNQCLSA-N 0 276.336 CE 2.445 0 Anodyne ref CEAARN C[C@@]1(O)N(Cc2cccnc2)C(=O)OC12CCCCC2 O=CN[C@H]1CCCc2c1[nH]c1ccc([N+](=O)[O-])cc21 ZINC000000273596 03/04/95/285030495 RUELWXLIPDINIR-LBPRGKRZSA-N 0 259.265 CE 2.2 0 Bother ref CEBARN O=CN[C@H]1CCCc2c1[nH]c1ccc([N+](=O)[O-])cc21 O=CN[C@@H]1CCCc2c1[nH]c1ccc([N+](=O)[O-])cc21 ZINC000000273599 33/30/98/280333098 RUELWXLIPDINIR-GFCCVEGCSA-N 0 259.265 CE 2.2 0 Bother ref CEBARN O=CN[C@@H]1CCCc2c1[nH]c1ccc([N+](=O)[O-])cc21 O=C(NC(=S)Nc1ncccn1)c1ccc(Cl)cc1 ZINC000000310119 81/52/60/279815260 JCLIKMWADKTQCV-UHFFFAOYSA-N 0 292.751 CE 2.257 0 Anodyne ref CEAARN O=C(NC(=S)Nc1ncccn1)c1ccc(Cl)cc1 O=C(O)CCC(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000000313462 15/99/82/361159982 JAXSELKSZJMFSA-UHFFFAOYSA-N -1 284.315 CE 2.476 0 Anodyne ref CEAARM O=C([O-])CCC(=O)Nc1ccc(Cc2ccncc2)cc1 CCOC(=O)c1sc(NC(C)=O)c(C=O)c1C ZINC000000330069 60/90/14/169609014 VEJOBZBTDOEWLK-UHFFFAOYSA-N 0 255.295 CE 2.004 0 Anodyne ref CEAARN CCOC(=O)c1sc(NC(C)=O)c(C=O)c1C O=S=C(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000000330213 16/17/70/361161770 IAZRDEUKBOPVEH-UHFFFAOYSA-N 0 292.381 CE 2.046 0 Anodyne ref CEAARN O=S=C(Cc1ccccc1)S(=O)(=O)c1ccccc1 O=C(O)/C(=C\c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000330289 16/19/66/361161966 VBLUHSFFVJULCF-GXDHUFHOSA-N -1 293.278 CE 2.408 0 Anodyne ref CEAARM O=C([O-])/C(=C\c1ccccc1)N1C(=O)c2ccccc2C1=O CCOc1nc(OCC)c(Br)c(OCC)n1 ZINC000000331285 16/27/26/361162726 JYIKLUYHANMDQD-UHFFFAOYSA-N 0 291.145 CE 2.435 0 Anodyne ref CEAARN CCOc1nc(OCC)c(Br)c(OCC)n1 CC(C)c1ccc(-c2nc3nc[nH]c(=O)c3[nH]2)cc1 ZINC000000331575 02/06/45/278020645 PKBLGRSXIJFQTD-UHFFFAOYSA-N 0 254.293 CE 2.437 0 Anodyne ref CEAARN CC(C)c1ccc(-c2nc3c(=O)[nH]cnc3[nH]2)cc1 Nc1ccc(Br)nc1Br ZINC000000331800 35/01/64/295350164 CRTOIQFRVBJJRI-UHFFFAOYSA-N 0 251.909 CE 2.189 0 Anodyne ref CEAARN Nc1ccc(Br)nc1Br Cc1c(Br)cnc(NN)c1Br ZINC000000331882 20/02/35/280200235 VGQAZPVUPOHCPC-UHFFFAOYSA-N 0 280.951 CE 2.201 3 Anodyne high CEAAHN Cc1c(Br)cnc(NN)c1Br Cc1c(Br)cnc(NN)c1Br ZINC000000331882 20/02/32/280200232 VGQAZPVUPOHCPC-UHFFFAOYSA-N 1 280.951 CE 2.201 0 Anodyne ref CEAARO Cc1c(Br)c[nH+]c(NN)c1Br CN(C)c1nc(Cl)c(-c2ccccc2)c(NN)n1 ZINC000000332000 16/25/63/361162563 PMQPDYZHVMGCMP-UHFFFAOYSA-N 0 263.732 CE 2.149 3 Anodyne high CEAAHN CN(C)c1nc(Cl)c(-c2ccccc2)c(NN)n1 CN(C)c1nc(Cl)c(-c2ccccc2)c(NN)n1 ZINC000000332000 16/25/59/361162559 PMQPDYZHVMGCMP-UHFFFAOYSA-N 1 263.732 CE 2.149 0 Anodyne ref CEAARO CN(C)c1nc(Cl)c(-c2ccccc2)c(NN)[nH+]1 Cn1nc(-c2ccc([N+](=O)[O-])cc2)c(C=O)c1Cl ZINC000000332233 16/28/91/361162891 QZVLBEHQWPNEKF-UHFFFAOYSA-N 0 265.656 CE 2.461 0 Bother ref CEBARN Cn1nc(-c2ccc([N+](=O)[O-])cc2)c(C=O)c1Cl O=C1C[C@@](O)(c2ccccc2)[C@@]2(c3ccccc3)O[C@H]2O1 ZINC000000332266 34/56/85/296345685 FRTRUMNEBYBLAA-ZACQAIPSSA-N 0 282.295 CE 2.073 0 Anodyne ref CEAARN O=C1C[C@@](O)(c2ccccc2)[C@@]2(c3ccccc3)O[C@H]2O1 CCOC(=O)c1ccc(C=O)n1C(=O)OC(C)(C)C ZINC000000332283 60/92/16/169609216 XOESFJYVBFHMSI-UHFFFAOYSA-N 0 267.281 CE 2.261 0 Anodyne ref CEAARN CCOC(=O)c1ccc(C=O)n1C(=O)OC(C)(C)C OCc1cc(Cl)ccc1I ZINC000000332463 16/24/62/361162462 MGLGJZWGRMOAJS-UHFFFAOYSA-N 0 268.481 CE 2.437 0 Anodyne ref CEAARN OCc1cc(Cl)ccc1I Nc1cc(C(F)(F)F)ccc1SCC(=O)O ZINC000000332905 60/96/67/169609667 ARWXONAOLOIATM-UHFFFAOYSA-N -1 251.229 CE 2.464 0 Anodyne ref CEAARM Nc1cc(C(F)(F)F)ccc1SCC(=O)[O-] O=C1CCC(=O)N1c1ccc(Br)cc1 ZINC000000333830 31/57/27/296315727 QDJNZUVVZSTBJL-UHFFFAOYSA-N 0 254.083 CE 2.103 0 Anodyne ref CEAARN O=C1CCC(=O)N1c1ccc(Br)cc1 CCOC(=O)c1c(NC=O)sc2c1CCCC2 ZINC000000333879 44/91/63/394449163 CJIDACDHZGQDEU-UHFFFAOYSA-N 0 253.323 CE 2.372 0 Anodyne ref CEAARN CCOC(=O)c1c(NC=O)sc2c1CCCC2 Cc1c(C(=O)Nc2ccccn2)sc(NC=O)c1C#N ZINC000000333965 16/28/36/361162836 WPMFYBSZXMDLGL-UHFFFAOYSA-N 0 286.316 CE 2.144 0 Mild ref CEEARN Cc1c(C(=O)Nc2ccccn2)sc(NC=O)c1C#N COC(=O)c1csc(C(=O)OC)c1Br ZINC000000334272 16/28/59/361162859 WFGIZBFSNKOHRI-UHFFFAOYSA-N 0 279.111 CE 2.084 0 Anodyne ref CEAARN COC(=O)c1csc(C(=O)OC)c1Br CC1(C)OC[C@@H](COC(=O)Nc2ccccc2)O1 ZINC000000334538 16/28/86/361162886 BBWIAKHXZDDZLB-LLVKDONJSA-N 0 251.282 CE 2.387 0 Anodyne ref CEAARN CC1(C)OC[C@@H](COC(=O)Nc2ccccc2)O1 CC1(C)OC[C@H](COC(=O)Nc2ccccc2)O1 ZINC000000334539 16/28/27/361162827 BBWIAKHXZDDZLB-NSHDSACASA-N 0 251.282 CE 2.387 0 Anodyne ref CEAARN CC1(C)OC[C@H](COC(=O)Nc2ccccc2)O1 Nc1oc2c(Cl)cc(Cl)cc2c(=O)c1C=O ZINC000000335164 37/60/77/295376077 NEDXRTLWWHUJNC-UHFFFAOYSA-N 0 258.06 CE 2.495 0 Anodyne ref CEAARN Nc1oc2c(Cl)cc(Cl)cc2c(=O)c1C=O CS(=O)(=O)c1nc(-c2cccs2)ccc1C#N ZINC000000335589 64/51/07/286645107 IVGMYQPPZCOUQU-UHFFFAOYSA-N 0 264.331 CE 2.085 0 Mild ref CEEARN CS(=O)(=O)c1nc(-c2cccs2)ccc1C#N COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1N ZINC000000335934 16/25/06/361162506 UACNQJLGVITOBB-UHFFFAOYSA-N -1 292.36 CE 2.387 3 Anodyne high CEAAHM COc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1N COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1N ZINC000000335934 16/25/02/361162502 UACNQJLGVITOBB-UHFFFAOYSA-N 0 292.36 CE 2.387 0 Anodyne ref CEAARN COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1N Cc1cccc2cc(C=O)c(N3CCOCC3)nc12 ZINC000000335940 31/53/62/281315362 HHCANZKGWPOQQS-UHFFFAOYSA-N 0 256.305 CE 2.192 0 Anodyne ref CEAARN Cc1cccc2cc(C=O)c(N3CCOCC3)nc12 CN(C)/C=C1\N=C(c2ccccc2Br)OC1=O ZINC000000335946 16/24/54/361162454 WDOLOFAMGMBDIA-YFHOEESVSA-N 0 295.136 CE 2.155 0 Anodyne ref CEAARN CN(C)/C=C1\N=C(c2ccccc2Br)OC1=O CN(C)/C=C1\N=C(c2ccccc2Cl)OC1=O ZINC000000335949 16/28/53/361162853 WHTPQWONHSKDLF-YFHOEESVSA-N 0 250.685 CE 2.046 0 Anodyne ref CEAARN CN(C)/C=C1\N=C(c2ccccc2Cl)OC1=O COc1cc(C=O)ccc1OCC(=O)NCc1ccccc1 ZINC000000336079 16/28/12/361162812 PXMSXVUDILWYCO-UHFFFAOYSA-N 0 299.326 CE 2.203 0 Anodyne ref CEAARN COc1cc(C=O)ccc1OCC(=O)NCc1ccccc1 Cc1ccc(C(=O)O)cc1I ZINC000000336287 16/26/98/361162698 LDDHMKANNXWUAK-UHFFFAOYSA-N -1 262.046 CE 2.298 0 Anodyne ref CEAARM Cc1ccc(C(=O)[O-])cc1I O=Cc1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000000336396 16/28/44/361162844 LFOVBAGZNIDOBO-UHFFFAOYSA-N 0 270.332 CE 2.466 0 Anodyne ref CEAARN O=Cc1cn(CC(=O)N2CCCCC2)c2ccccc12 CCN(CC)C(=O)Cn1cc(C=O)c2ccccc21 ZINC000000336399 16/29/38/361162938 RLVJVUVKYOQMHN-UHFFFAOYSA-N 0 258.321 CE 2.322 0 Anodyne ref CEAARN CCN(CC)C(=O)Cn1cc(C=O)c2ccccc21 Cc1c(C=O)c2ccccc2n1CC(=O)N1CCCC1 ZINC000000336404 16/29/88/361162988 OUHCIORPHHVHDL-UHFFFAOYSA-N 0 270.332 CE 2.385 0 Anodyne ref CEAARN Cc1c(C=O)c2ccccc2n1CC(=O)N1CCCC1 Cc1cc(O)c(I)c(O)c1 ZINC000000336686 96/96/06/291969606 RTZQIVNJKIGDGJ-UHFFFAOYSA-N -1 250.035 CE 2.011 3 Anodyne high CEAAHM Cc1cc([O-])c(I)c(O)c1 Cc1cc(O)c(I)c(O)c1 ZINC000000336686 96/96/02/291969602 RTZQIVNJKIGDGJ-UHFFFAOYSA-N 0 250.035 CE 2.011 0 Anodyne ref CEAARN Cc1cc(O)c(I)c(O)c1 Brc1cncc(I)c1 ZINC000000336771 44/93/75/394449375 AOOZLVWDZUPEHT-UHFFFAOYSA-N 0 283.894 CE 2.449 0 Anodyne ref CEAARN Brc1cncc(I)c1 CC(C)(C)NC(=O)c1cncc(C(=O)NC(C)(C)C)c1 ZINC000000336835 16/29/22/361162922 VAUSEZREHUPINY-UHFFFAOYSA-N 0 277.368 CE 2.138 0 Anodyne ref CEAARN CC(C)(C)NC(=O)c1cncc(C(=O)NC(C)(C)C)c1 COc1cc(OC)nc(Oc2cccc(C=O)c2)n1 ZINC000000337003 16/25/24/361162524 RBRKHXKFTPBGPW-UHFFFAOYSA-N 0 260.249 CE 2.099 0 Anodyne ref CEAARN COc1cc(OC)nc(Oc2cccc(C=O)c2)n1 COc1cc(OC)nc(Oc2ccc(C=O)cc2)n1 ZINC000000337004 16/26/41/361162641 BWWDCFULAVIRPP-UHFFFAOYSA-N 0 260.249 CE 2.099 0 Anodyne ref CEAARN COc1cc(OC)nc(Oc2ccc(C=O)cc2)n1 COc1cc(OC)nc(Oc2ccccc2C=O)n1 ZINC000000337078 16/25/54/361162554 OLJJNJSCMNETTB-UHFFFAOYSA-N 0 260.249 CE 2.099 0 Anodyne ref CEAARN COc1cc(OC)nc(Oc2ccccc2C=O)n1 CC(C)(C)N1[C@@H](O)c2cccc(Cl)c2[S@]1=O ZINC000000337198 35/59/29/278355929 GSMJRFOKRRMONM-MGPLVRAMSA-N 0 259.758 CE 2.468 0 Anodyne ref CEAARN CC(C)(C)N1[C@@H](O)c2cccc(Cl)c2[S@@]1=O CC(C)(C)N1[C@H](O)c2cccc(Cl)c2[S@]1=O ZINC000000337200 16/44/53/277164453 GSMJRFOKRRMONM-QLJPJBMISA-N 0 259.758 CE 2.468 0 Anodyne ref CEAARN CC(C)(C)N1[C@H](O)c2cccc(Cl)c2[S@@]1=O CC(C)(C)C(=O)NS(=O)(=O)c1ccc(Cl)s1 ZINC000000337203 16/29/47/361162947 FXVSBOOVGBTGEE-UHFFFAOYSA-N -1 281.786 CE 2.253 0 Anodyne ref CEAARM CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 CSc1nc(Oc2ccc(C=O)cc2)nc(N(C)C)n1 ZINC000000337329 61/04/24/169610424 KCPFSNHHYDKDKM-UHFFFAOYSA-N 0 290.348 CE 2.264 0 Anodyne ref CEAARN CSc1nc(Oc2ccc(C=O)cc2)nc(N(C)C)n1 COc1ccc(OC)c([C@@H](O)[C@H](C)NC(C)C)c1 ZINC000000337391 16/28/07/361162807 YZXKGCIDSYWQIV-HZMBPMFUSA-N 1 253.342 CE 2.124 0 Anodyne ref CEAARO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]C(C)C)c1 COc1ccc(OC)c([C@@H](O)[C@@H](C)NC(C)C)c1 ZINC000000337392 16/24/31/361162431 YZXKGCIDSYWQIV-YGRLFVJLSA-N 1 253.342 CE 2.124 0 Anodyne ref CEAARO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]C(C)C)c1 COc1ccc(OC)c([C@H](O)[C@H](C)NC(C)C)c1 ZINC000000337395 16/27/66/361162766 YZXKGCIDSYWQIV-IINYFYTJSA-N 1 253.342 CE 2.124 0 Anodyne ref CEAARO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]C(C)C)c1 COc1ccc(OC)c([C@H](O)[C@@H](C)NC(C)C)c1 ZINC000000337396 16/25/11/361162511 YZXKGCIDSYWQIV-QMTHXVAHSA-N 1 253.342 CE 2.124 0 Anodyne ref CEAARO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]C(C)C)c1 C[n+]1c(-c2ccc([N+](=O)[O-])cc2)cn2ccccc21 ZINC000000337557 18/06/23/280180623 KDYFVLGUKIGTDA-UHFFFAOYSA-N 1 254.269 CE 2.339 0 Bother ref CEBARO Cn1c(-c2ccc([N+](=O)[O-])cc2)c[n+]2ccccc12 COc1ccc2n(c1)cc(-c1ccc(C=O)cc1)[n+]2C ZINC000000337629 00/09/06/278000906 WVMKULLEEQVDFG-UHFFFAOYSA-N 1 267.308 CE 2.252 0 Anodyne ref CEAARO COc1ccc2n(C)c(-c3ccc(C=O)cc3)c[n+]2c1 Cn1c(-c2cccc([N+](=O)[O-])c2)c[n+]2ccccc12 ZINC000000337643 16/26/11/361162611 BWZXKRKZZLFXRS-UHFFFAOYSA-N 1 254.269 CE 2.339 0 Bother ref CEBARO Cn1c(-c2cccc([N+](=O)[O-])c2)c[n+]2ccccc12 Cc1ccc2n(c1)cc(COc1ccc(C=O)cc1)[n+]2C ZINC000000337671 16/27/45/361162745 DTNDTKOARHQYEE-UHFFFAOYSA-N 1 281.335 CE 2.464 0 Anodyne ref CEAARO Cc1ccc2n(C)c(COc3ccc(C=O)cc3)c[n+]2c1 C[n+]1c(-c2ccc(C#N)cc2)cn2cc(C#N)ccc21 ZINC000000337724 18/08/29/280180829 SJLMRESIRUCXBT-UHFFFAOYSA-N 1 259.292 CE 2.174 0 Mild ref CEEARO Cn1c(-c2ccc(C#N)cc2)c[n+]2cc(C#N)ccc12 Cc1ccc2n(c1)cc(-c1ccc(C(=N)N)cc1)[n+]2C ZINC000000337727 16/25/77/361162577 DXZZAIVMCFWXQV-UHFFFAOYSA-N 2 265.34 CE 2.023 0 Anodyne ref CEAARP Cc1ccc2n(C)c(-c3ccc(C(N)=[NH2+])cc3)c[n+]2c1 COc1ccc(-c2cnc(C#N)c(OC)n2)cc1OC ZINC000000337880 61/06/47/169610647 WNTPPDJFRJWBQN-UHFFFAOYSA-N 0 271.276 CE 2.041 0 Mild ref CEEARN COc1ccc(-c2cnc(C#N)c(OC)n2)cc1OC COc1ccc(-c2cnc(OC)c(C#N)n2)cc1OC ZINC000000337883 61/08/54/169610854 PNGIXOWRGGOVNB-UHFFFAOYSA-N 0 271.276 CE 2.041 0 Mild ref CEEARN COc1ccc(-c2cnc(OC)c(C#N)n2)cc1OC Nc1cc(=O)[nH]c(=S)n1-c1ccccc1Cl ZINC000000337987 34/74/17/295347417 PCYICYZSWYQCTB-UHFFFAOYSA-N -1 253.714 CE 2.131 1 Anodyne mid CEAAMM Nc1cc(=O)[n-]c(=S)n1-c1ccccc1Cl Nc1cc(=O)[nH]c(=S)n1-c1ccccc1Cl ZINC000000337987 34/74/14/295347414 PCYICYZSWYQCTB-UHFFFAOYSA-N 0 253.714 CE 2.131 0 Anodyne ref CEAARN Nc1cc(=O)[nH]c(=S)n1-c1ccccc1Cl Nc1cc(=O)[nH]c(=S)n1-c1ccc(Cl)cc1 ZINC000000337989 34/72/88/295347288 MEVVPIPZBNIUQF-UHFFFAOYSA-N -1 253.714 CE 2.131 1 Anodyne mid CEAAMM Nc1cc(=O)[n-]c(=S)n1-c1ccc(Cl)cc1 Nc1cc(=O)[nH]c(=S)n1-c1ccc(Cl)cc1 ZINC000000337989 34/72/85/295347285 MEVVPIPZBNIUQF-UHFFFAOYSA-N 0 253.714 CE 2.131 0 Anodyne ref CEAARN Nc1cc(=O)[nH]c(=S)n1-c1ccc(Cl)cc1 CCc1nc(C(C)(C)C)cc(C(=O)O)c1C(=O)O ZINC000000343338 16/40/58/361164058 LFIAGOQGOGKRGE-UHFFFAOYSA-N -2 251.282 CE 2.338 0 Anodyne ref CEAARL CCc1nc(C(C)(C)C)cc(C(=O)[O-])c1C(=O)[O-] CCOC(=O)c1cc(Br)c(=O)n2ccccc12 ZINC000000343564 16/39/18/361163918 KBAVSMAYRNASIF-UHFFFAOYSA-N 0 296.12 CE 2.239 0 Anodyne ref CEAARN CCOC(=O)c1cc(Br)c(=O)n2ccccc12 Nc1c(Cl)cc(Br)cc1C(=O)O ZINC000000348879 16/38/69/361163869 WYPQWEYJRBPSKL-UHFFFAOYSA-N -1 250.479 CE 2.383 0 Anodyne ref CEAARM Nc1c(Cl)cc(Br)cc1C(=O)[O-] CN(c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000000357412 16/48/08/361164808 CFXMWOQQTYMARQ-UHFFFAOYSA-N 0 262.334 CE 2.094 0 Anodyne ref CEAARN CN(c1ccccc1)S(=O)(=O)c1ccc(N)cc1 Cc1ccc2nc(Cl)c(/C=N/NC(N)=S)cc2c1 ZINC000000366943 15/71/40/281157140 YBFBKWGMPFKINJ-GIDUJCDVSA-N 0 278.768 CE 2.364 0 Mild ref CEEARN Cc1ccc2nc(Cl)c(/C=N/NC(N)=S)cc2c1 O=C(O)c1cccc(Cn2cc(Br)cn2)c1 ZINC000000368962 16/59/09/361165909 FLRLBZZSTIBJFM-UHFFFAOYSA-N -1 281.109 CE 2.392 0 Anodyne ref CEAARM O=C([O-])c1cccc(Cn2cc(Br)cn2)c1 O=C(O)c1cccc(Cn2cc(Cl)c([N+](=O)[O-])n2)c1 ZINC000000368964 16/59/19/361165919 WRLCQPPOOLUGKO-UHFFFAOYSA-N -1 281.655 CE 2.191 0 Bother ref CEBARM O=C([O-])c1cccc(Cn2cc(Cl)c([N+](=O)[O-])n2)c1 O=C(O)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 ZINC000000368977 62/03/42/169620342 NDPOIGJDZZNZNU-UHFFFAOYSA-N -1 281.655 CE 2.191 0 Bother ref CEBARM O=C([O-])c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1