COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H](CC(C)C)CN1CC2 ZINC000000000751 11/21/33/431112133 MKJIEFSOBYUXJB-GDBMZVCRSA-N 1 317.429 DG 3.238 1 Anodyne mid DGAAMO COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H](CC(C)C)C[N@H+]1CC2 fda COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H](CC(C)C)CN1CC2 ZINC000000000751 11/21/28/431112128 MKJIEFSOBYUXJB-GDBMZVCRSA-N 1 317.429 DG 3.238 1 Anodyne mid DGAAMO COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H](CC(C)C)C[N@@H+]1CC2 fda COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H](CC(C)C)CN1CC2 ZINC000000000751 11/21/24/431112124 MKJIEFSOBYUXJB-GDBMZVCRSA-N 1 317.429 DG 3.238 0 Anodyne ref DGAARO COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H](CC(C)C)CN1CC2 fda CC(C)(OCc1nn(Cc2ccccc2)c2ccccc12)C(=O)O ZINC000000004594 66/84/21/180668421 MTHORRSSURHQPZ-UHFFFAOYSA-N -1 324.38 DG 3.464 0 Anodyne ref DGAARM CC(C)(OCc1nn(Cc2ccccc2)c2ccccc12)C(=O)[O-] in-man Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000000007368 11/22/27/431112227 SQKXYSGRELMAAU-UHFFFAOYSA-N 1 319.408 DG 3.053 1 Anodyne mid DGAAMO Cc1[nH+]ccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1 world Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000000007368 11/22/15/431112215 SQKXYSGRELMAAU-UHFFFAOYSA-N 1 319.408 DG 3.053 0 Anodyne ref DGAARO Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1 world CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1 ZINC000000047739 11/37/19/431113719 FQNKTJPBXAZUGC-UHFFFAOYSA-N -1 313.353 DG 3.168 1 Anodyne mid DGAAMM CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)[O-])c(O)c1 CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1 ZINC000000047739 11/37/08/431113708 FQNKTJPBXAZUGC-UHFFFAOYSA-N -2 313.353 DG 3.168 0 Anodyne ref DGAARL CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)[O-])c([O-])c1 CC(C)(C)OC(=O)NCC1CCN(Cc2ccccc2)CC1 ZINC000000130612 70/27/34/180702734 SOXSDIKJHXTJEP-UHFFFAOYSA-N 1 304.434 DG 3.423 0 Anodyne ref DGAARO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 O=C(O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000155213 13/77/68/431137768 RITAQDHCJBLSSL-UHFFFAOYSA-N -1 305.673 DG 3.177 0 Bother ref DGBARM O=C([O-])c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)O ZINC000000388726 39/24/19/278392419 JUUNPRGYFCIXSM-QGZVFWFLSA-N -1 305.374 DG 3.083 0 Anodyne ref DGAARM CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)[O-] Fc1ccc(Br)c(I)c1 ZINC000000403475 17/66/30/431176630 QDCBSSUCEUMLGC-UHFFFAOYSA-N 0 300.896 DG 3.193 0 Anodyne ref DGAARN Fc1ccc(Br)c(I)c1 Cc1ccc(S(=O)(=O)N2CCCC(=O)c3ccccc32)cc1 ZINC000000404817 17/28/56/292172856 OTPIOAHUBNERHE-UHFFFAOYSA-N 0 315.394 DG 3.167 0 Anodyne ref DGAARN Cc1ccc(S(=O)(=O)N2CCCC(=O)c3ccccc32)cc1 C=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000001847520 23/88/19/431238819 ZNJXRXXJPIFFAO-UHFFFAOYSA-N 0 300.145 DG 3.277 0 Mild ref DGEARN C=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F C[C@@H](CN1c2ccccc2S(=O)c2ccccc21)N(C)C ZINC000001849515 23/87/28/431238728 OWTCLFIFAFHQIX-ZDUSSCGKSA-N 0 300.427 DG 3.255 3 Anodyne high DGAAHN C[C@@H](CN1c2ccccc2S(=O)c2ccccc21)N(C)C in-vitro C[C@@H](CN1c2ccccc2S(=O)c2ccccc21)N(C)C ZINC000001849515 23/87/17/431238717 OWTCLFIFAFHQIX-ZDUSSCGKSA-N 0 300.427 DG 3.255 0 Anodyne ref DGAARN C[C@@H](CN1c2ccccc2S(=O)c2ccccc21)[NH+](C)C in-vitro C[C@H](CN1c2ccccc2S(=O)c2ccccc21)N(C)C ZINC000001849516 44/77/98/134447798 OWTCLFIFAFHQIX-CYBMUJFWSA-N 0 300.427 DG 3.255 3 Anodyne high DGAAHN C[C@H](CN1c2ccccc2S(=O)c2ccccc21)N(C)C in-vitro C[C@H](CN1c2ccccc2S(=O)c2ccccc21)N(C)C ZINC000001849516 44/77/96/134447796 OWTCLFIFAFHQIX-CYBMUJFWSA-N 1 300.427 DG 3.255 0 Anodyne ref DGAARO C[C@H](CN1c2ccccc2S(=O)c2ccccc21)[NH+](C)C in-vitro Fc1ccc(I)cc1Br ZINC000002528587 25/59/32/431255932 LHRMBQARSBULRX-UHFFFAOYSA-N 0 300.896 DG 3.193 0 Anodyne ref DGAARN Fc1ccc(I)cc1Br O=C(Cc1ccc(Br)cc1)c1ccc(O)cc1O ZINC000002566403 25/78/60/431257860 GVDMPWQNNRNDOG-UHFFFAOYSA-N -1 307.143 DG 3.286 1 Anodyne mid DGAAMM O=C(Cc1ccc(Br)cc1)c1ccc([O-])cc1O O=C(Cc1ccc(Br)cc1)c1ccc(O)cc1O ZINC000002566403 25/78/50/431257850 GVDMPWQNNRNDOG-UHFFFAOYSA-N 0 307.143 DG 3.286 0 Anodyne ref DGAARN O=C(Cc1ccc(Br)cc1)c1ccc(O)cc1O C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12 ZINC000003831404 08/37/36/400083736 LOUPRKONTZGTKE-WZBLMQSHSA-N 1 324.424 DG 3.173 1 Mild mid DGEAMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12 fda biogenic C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12 ZINC000003831404 08/37/25/400083725 LOUPRKONTZGTKE-WZBLMQSHSA-N 1 324.424 DG 3.173 0 Mild ref DGEARO C=C[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12 fda biogenic C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 ZINC000003831405 29/28/61/431292861 LOUPRKONTZGTKE-LHHVKLHASA-N 1 324.424 DG 3.173 1 Mild mid DGEAMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 fda biogenic C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 ZINC000003831405 29/28/47/431292847 LOUPRKONTZGTKE-LHHVKLHASA-N 1 324.424 DG 3.173 0 Mild ref DGEARO C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 fda biogenic COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1 ZINC000003872605 05/06/87/181050687 CJOFXWAVKWHTFT-XSFVSMFZSA-N 0 318.339 DG 3.202 3 Mild high DGEAHN COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1 fda COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1 ZINC000003872605 05/06/83/181050683 CJOFXWAVKWHTFT-XSFVSMFZSA-N 1 318.339 DG 3.202 0 Mild ref DGEARO COCCCC/C(=N\OCC[NH3+])c1ccc(C(F)(F)F)cc1 fda CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1 ZINC000003996032 06/04/43/181060443 CBQGYUDMJHNJBX-RTBURBONSA-N 0 313.397 DG 3.194 1 Anodyne mid DGAAMN CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1 world CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1 ZINC000003996032 06/04/42/181060442 CBQGYUDMJHNJBX-RTBURBONSA-N 1 313.397 DG 3.194 0 Anodyne ref DGAARO CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1C[NH2+]CCO1 world C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@@H]1CCC2=O ZINC000004025846 06/35/71/181063571 XGUHPTGEXRHMQQ-BGJMDTOESA-N 0 302.414 DG 3.06 0 Mild ref DGEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@@H]1CCC2=O in-man endogenous C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O ZINC000004096672 07/29/35/181072935 RZRPTBIGEANTGU-IRIMSJTPSA-N 0 300.398 DG 3.266 0 Mild ref DGEARN C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O in-man endogenous CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000005167250 08/62/66/400086266 GTFUITFQDGVJSK-XGXHKTLJSA-N 0 316.441 DG 3.448 0 Anodyne ref DGAARN CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C CN(C)S(=O)(=O)c1ccc2c(c1)Nc1ccccc1S2 ZINC000005317817 81/62/86/276816286 KMMXCCWCGOUAGH-UHFFFAOYSA-N 0 306.412 DG 3.145 0 Anodyne ref DGABRN CN(C)S(=O)(=O)c1ccc2c(c1)Nc1ccccc1S2 CCOc1ccccc1NC(=O)C(=O)Nc1ccccc1CC ZINC000005956772 30/07/51/181300751 YIMHRDBSVCPJOV-UHFFFAOYSA-N 0 312.369 DG 3.225 0 Anodyne ref DGABRN CCOc1ccccc1NC(=O)C(=O)Nc1ccccc1CC O=C(O)[C@H]1c2ccccc2CCN1C(=O)OCc1ccccc1 ZINC000008698456 40/62/12/431406212 ACQYZSFXPXXIHL-MRXNPFEDSA-N -1 311.337 DG 3.007 0 Anodyne ref DGAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)OCc1ccccc1 O=C(O)[C@@H]1c2ccccc2CCN1C(=O)OCc1ccccc1 ZINC000008698457 40/63/61/431406361 ACQYZSFXPXXIHL-INIZCTEOSA-N -1 311.337 DG 3.007 0 Anodyne ref DGAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)OCc1ccccc1 CCOC(=O)c1c2n(c3cc(F)c(F)cc3c1=O)[C@H](C)S2 ZINC000019615877 29/68/75/276296875 UUJUEXKIHKGFTH-LURJTMIESA-N 0 311.309 DG 3.081 0 Anodyne ref DGAARN CCOC(=O)c1c2n(c3cc(F)c(F)cc3c1=O)[C@H](C)S2 in-vitro CCOC(=O)c1c2n(c3cc(F)c(F)cc3c1=O)[C@@H](C)S2 ZINC000019615880 29/67/55/276296755 UUJUEXKIHKGFTH-ZCFIWIBFSA-N 0 311.309 DG 3.081 0 Anodyne ref DGAARN CCOC(=O)c1c2n(c3cc(F)c(F)cc3c1=O)[C@@H](C)S2 in-vitro COC(=O)[C@@H](NCCc1cccs1)c1ccccc1Cl ZINC000021297946 64/69/76/190646976 PAOGEKGFTGONII-AWEZNQCLSA-N 0 309.818 DG 3.448 0 Anodyne ref DGAARN COC(=O)[C@@H](NCCc1cccs1)c1ccccc1Cl in-vitro CCOC(=O)c1c(SCC)[nH]c2cc(F)c(F)cc2c1=O ZINC000021298159 62/92/15/431629215 YKHPMXCEZRZUGN-UHFFFAOYSA-N -1 313.325 DG 3.095 0 Anodyne ref DGAARM CCOC(=O)c1c(SCC)[n-]c2cc(F)c(F)cc2c1=O CCOC(=O)COc1cc(OCC=C(C)C)ccc1C(C)=O ZINC000021299855 62/88/96/431628896 JSTNTJMMYLABFH-UHFFFAOYSA-N 0 306.358 DG 3.176 0 Anodyne ref DGAARN CCOC(=O)COc1cc(OCC=C(C)C)ccc1C(C)=O CC(C)(C)OC(=O)N1[C@@H](c2ccccc2)[C@H](C(=O)O)OC1(C)C ZINC000021982884 42/01/29/278420129 VAHXMEZCPGHDBJ-QWHCGFSZSA-N -1 321.373 DG 3.184 0 Anodyne ref DGAARM CC(C)(C)OC(=O)N1[C@@H](c2ccccc2)[C@H](C(=O)[O-])OC1(C)C CCOC(=O)c1cccc([N+](=O)[O-])c1NC(=O)OC(C)(C)C ZINC000021989279 30/23/59/182302359 NYCBXLQKKUBOGV-UHFFFAOYSA-N 0 310.306 DG 3.119 0 Bother ref DGBBRN CCOC(=O)c1cccc([N+](=O)[O-])c1NC(=O)OC(C)(C)C C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)O ZINC000022008679 30/39/76/182303976 MJXIPHMGYJXKLJ-MLGOENBGSA-N -1 319.445 DG 3.208 0 Anodyne ref DGAARM C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)[O-] CC(C)(C)c1ccc(C(=O)CCCN2CCC(O)CC2)cc1 ZINC000022053576 30/71/76/182307176 HUFTWIJFTZKVMR-UHFFFAOYSA-N 0 303.446 DG 3.404 3 Anodyne high DGAAHN CC(C)(C)c1ccc(C(=O)CCCN2CCC(O)CC2)cc1 in-vitro CC(C)(C)c1ccc(C(=O)CCCN2CCC(O)CC2)cc1 ZINC000022053576 30/71/73/182307173 HUFTWIJFTZKVMR-UHFFFAOYSA-N 1 303.446 DG 3.404 0 Anodyne ref DGAARO CC(C)(C)c1ccc(C(=O)CCC[NH+]2CCC(O)CC2)cc1 in-vitro Cc1ccnc(Cl)c1NC(=O)c1cccnc1NC1CC1 ZINC000022054744 30/71/12/182307112 GURGGHUREHGAMI-UHFFFAOYSA-N 0 302.765 DG 3.265 0 Anodyne ref DGAARN Cc1ccnc(Cl)c1NC(=O)c1cccnc1NC1CC1 CC(C)(C)OC(=O)N1CCc2nc(Cl)nc(Cl)c2C1 ZINC000030678386 82/70/48/275827048 YPTQBCCFRRAECZ-UHFFFAOYSA-N 0 304.177 DG 3.077 0 Anodyne ref DGAARN CC(C)(C)OC(=O)N1CCc2nc(Cl)nc(Cl)c2C1 CC(C)(C)OC(=O)N1CCc2c(Cl)nc(Cl)nc2C1 ZINC000030678422 52/10/99/275521099 SAEOMPAQDWZLHC-UHFFFAOYSA-N 0 304.177 DG 3.077 0 Anodyne ref DGAARN CC(C)(C)OC(=O)N1CCc2c(Cl)nc(Cl)nc2C1 CC(C)(C)OC(=O)N1CCc2nc(Br)sc2C1 ZINC000032099183 63/51/30/182635130 RXXKNZKFRAFFOH-UHFFFAOYSA-N 0 319.224 DG 3.199 2 Anodyne low DGAALN CC(C)(C)OC(=O)N1CCc2nc(Br)sc2C1 CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccccc2)CC12CC2 ZINC000034401723 81/85/55/431818555 UCBLMUMETZZNIZ-OAHLLOKOSA-N 0 302.418 DG 3.176 3 Anodyne high DGAAHN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccccc2)CC12CC2 CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccccc2)CC12CC2 ZINC000034401723 81/85/50/431818550 UCBLMUMETZZNIZ-OAHLLOKOSA-N 1 302.418 DG 3.176 1 Anodyne mid DGAAMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC2 CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccccc2)CC12CC2 ZINC000034401723 81/85/32/431818532 UCBLMUMETZZNIZ-OAHLLOKOSA-N 1 302.418 DG 3.176 0 Anodyne ref DGAARO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC12CC2 CC(C)(C)OC(=O)c1ccc(I)cc1 ZINC000035287623 82/91/54/431829154 QHHNHUWOOFETNQ-UHFFFAOYSA-N 0 304.127 DG 3.247 0 Anodyne ref DGAARN CC(C)(C)OC(=O)c1ccc(I)cc1 in-vitro CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](N)c1ccccc12 ZINC000035571327 18/26/22/277182622 MRMIQWNSSBRSLQ-HNNXBMFYSA-N 1 302.418 DG 3.359 0 Anodyne ref DGAARO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH3+])c1ccccc12 CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](N)c1ccccc12 ZINC000035571329 18/23/65/277182365 MRMIQWNSSBRSLQ-OAHLLOKOSA-N 1 302.418 DG 3.359 0 Anodyne ref DGAARO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH3+])c1ccccc12 CC(C)(C)OC(=O)N[C@H](C(=O)O)C12CC3CC(CC(C3)C1)C2 ZINC000036376744 44/17/83/278441783 LJUATQZYDYSZPV-CQCMJFKXSA-N -1 309.406 DG 3.181 0 Anodyne ref DGAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C12CC3CC(CC(C3)C1)C2 CO/C=C(/C(=O)OC)c1ccccc1Oc1cc(Cl)ncn1 ZINC000036433264 83/93/98/431839398 YRYZZSRRDCTETP-DHZHZOJOSA-N 0 320.732 DG 3.083 0 Anodyne ref DGAARN CO/C=C(/C(=O)OC)c1ccccc1Oc1cc(Cl)ncn1 O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000038141478 85/51/47/431855147 PXUULQAPEKKVAH-UHFFFAOYSA-N -1 314.05 DG 3.175 0 Mild ref DGEARM O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CN1CC(=O)[C@H](c2cc(Cl)ccc2Oc2ccccc2)C1=O ZINC000038820257 01/05/32/183010532 LAXTYFZLKJOGDP-INIZCTEOSA-N 0 315.756 DG 3.257 0 Anodyne ref DGAARN CN1CC(=O)[C@H](c2cc(Cl)ccc2Oc2ccccc2)C1=O CC(C)(C)OC(=O)N1CC2(CCNCC2)c2cc(F)ccc21 ZINC000040443085 49/95/29/273499529 GPKKXSAFDWGFOL-UHFFFAOYSA-N 1 306.381 DG 3.202 0 Anodyne ref DGAARO CC(C)(C)OC(=O)N1CC2(CC[NH2+]CC2)c2cc(F)ccc21 Cc1ccc2c(c1)C1(CCNCC1)CN2C(=O)OC(C)(C)C ZINC000040443086 77/06/37/274770637 RZQLSHSZFIMHDE-UHFFFAOYSA-N 1 302.418 DG 3.371 0 Anodyne ref DGABRO Cc1ccc2c(c1)C1(CC[NH2+]CC1)CN2C(=O)OC(C)(C)C CC(C)(C)OC(=O)N1Cc2ccccc2C2(CCNCC2)C1 ZINC000040448616 49/99/61/273499961 PYRPHEQXDLNURT-UHFFFAOYSA-N 1 302.418 DG 3.059 0 Anodyne ref DGAARO CC(C)(C)OC(=O)N1Cc2ccccc2C2(CC[NH2+]CC2)C1 Cc1c([N+](=O)[O-])ccnc1CSc1nc2ccccc2[nH]1 ZINC000043190992 34/35/88/183343588 HLHGTWPLDSUGJJ-UHFFFAOYSA-N 0 300.343 DG 3.467 0 Bother ref DGBARN Cc1c([N+](=O)[O-])ccnc1CSc1nc2ccccc2[nH]1 FC(F)(F)c1cc(I)cnc1Cl ZINC000049581979 68/20/48/294682048 KUASPTUGCBGXAE-UHFFFAOYSA-N 0 307.44 DG 3.358 0 Anodyne ref DGAARN FC(F)(F)c1cc(I)cnc1Cl CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1NC2=O ZINC000051943336 38/34/14/278383414 IMTSIRGIMYGZCV-UHFFFAOYSA-N 0 316.401 DG 3.199 0 Anodyne ref DGABRN CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1NC2=O CC(C)(C)OC(=O)N1CCC2(CC1)CNCc1ccccc12 ZINC000051943340 95/29/04/431952904 MHALRZHJLIMHKE-UHFFFAOYSA-N 0 302.418 DG 3.059 3 Anodyne high DGAAHN CC(C)(C)OC(=O)N1CCC2(CC1)CNCc1ccccc12 CC(C)(C)OC(=O)N1CCC2(CC1)CNCc1ccccc12 ZINC000051943340 95/29/01/431952901 MHALRZHJLIMHKE-UHFFFAOYSA-N 1 302.418 DG 3.059 0 Anodyne ref DGAARO CC(C)(C)OC(=O)N1CCC2(CC1)C[NH2+]Cc1ccccc12 CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](N)c1ccccc1O2 ZINC000051943385 95/27/92/431952792 RHRIIQVZXVYVIE-AWEZNQCLSA-N 0 318.417 DG 3.239 3 Anodyne high DGAAHN CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](N)c1ccccc1O2 CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](N)c1ccccc1O2 ZINC000051943385 95/27/89/431952789 RHRIIQVZXVYVIE-AWEZNQCLSA-N 1 318.417 DG 3.239 0 Anodyne ref DGAARO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH3+])c1ccccc1O2 CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](N)c1ccccc1O2 ZINC000051943388 38/33/27/278383327 RHRIIQVZXVYVIE-CQSZACIVSA-N 0 318.417 DG 3.239 3 Anodyne high DGAAHN CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](N)c1ccccc1O2 CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](N)c1ccccc1O2 ZINC000051943388 38/33/25/278383325 RHRIIQVZXVYVIE-CQSZACIVSA-N 1 318.417 DG 3.239 0 Anodyne ref DGAARO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH3+])c1ccccc1O2 C[C@@]1(c2cc(-c3cncnc3)c(F)cc2F)CCSC(N)=N1 ZINC000052509444 95/64/50/431956450 MJQMRGWYPNIERM-HNNXBMFYSA-N 1 320.368 DG 3.089 0 Anodyne ref DGAARO C[C@@]1(c2cc(-c3cncnc3)c(F)cc2F)CCSC(=[NH2+])N1 investigational Fc1ccc(Br)cc1I ZINC000055161297 46/10/29/279461029 JNETZJWWXCLUKM-UHFFFAOYSA-N 0 300.896 DG 3.193 0 Anodyne ref DGAARN Fc1ccc(Br)cc1I CCCCCCCCCCCCOC(=O)CS(=O)(=O)O ZINC000059660513 14/02/37/184140237 LBIZZGIYNNLXQN-UHFFFAOYSA-N -1 308.44 DG 3.338 0 Mild ref DGEARM CCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-] in-vivo CC(C)(C)OC(=O)N1Cc2cc(Br)ccc2C1=O ZINC000059864541 99/89/72/431998972 AYNRRKAUKGRPMZ-UHFFFAOYSA-N 0 312.163 DG 3.34 0 Anodyne ref DGAARN CC(C)(C)OC(=O)N1Cc2cc(Br)ccc2C1=O Nc1ncnc2[nH]nc(-c3ccc(Oc4ccccc4)cc3)c12 ZINC000064527573 00/79/40/432007940 YYVUOZULIDAKRN-UHFFFAOYSA-N 1 303.325 DG 3.394 2 Anodyne low DGAALO Nc1[nH+]cnc2[nH]nc(-c3ccc(Oc4ccccc4)cc3)c12 Nc1ncnc2[nH]nc(-c3ccc(Oc4ccccc4)cc3)c12 ZINC000064527573 00/79/38/432007938 YYVUOZULIDAKRN-UHFFFAOYSA-N 0 303.325 DG 3.394 1 Anodyne mid DGAAMN Nc1ncnc2[nH]nc(-c3ccc(Oc4ccccc4)cc3)c12 Nc1ncnc2[nH]nc(-c3ccc(Oc4ccccc4)cc3)c12 ZINC000064527573 00/79/33/432007933 YYVUOZULIDAKRN-UHFFFAOYSA-N 0 303.325 DG 3.394 0 Anodyne ref DGAARN Nc1ncnc2n[nH]c(-c3ccc(Oc4ccccc4)cc3)c12 CCOC(=O)c1nc(-c2ccc(Cl)cc2)nc(N)c1Cl ZINC000066351895 40/47/80/184404780 PXCZEJRHVNHLHI-UHFFFAOYSA-N 0 312.156 DG 3.209 0 Anodyne ref DGAARN CCOC(=O)c1nc(-c2ccc(Cl)cc2)nc(N)c1Cl COC(=O)c1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1 ZINC000066352022 40/48/77/184404877 BECBKQYLJDEVDN-UHFFFAOYSA-N 0 320.352 DG 3.377 0 Anodyne ref DGAARN COC(=O)c1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1 FC(F)(F)c1cc(I)cc(Cl)n1 ZINC000067802384 04/14/27/432041427 JHKQSKCFLAXPKK-UHFFFAOYSA-N 0 307.44 DG 3.358 0 Anodyne ref DGAARN FC(F)(F)c1cc(I)cc(Cl)n1 O=[N+]([O-])/C=C/N1CC[C@@H](c2ccccc2)[C@@]1(CO)c1ccccc1 ZINC000071257213 27/68/62/431276862 PEXQWTCSIYPIAC-KOSVWKSTSA-N 0 324.38 DG 3.112 0 Anodyne ref DGABRN O=[N+]([O-])/C=C/N1CC[C@@H](c2ccccc2)[C@@]1(CO)c1ccccc1 O=[N+]([O-])/C=C/N1CC[C@H](c2ccccc2)[C@@]1(CO)c1ccccc1 ZINC000071257214 27/50/66/431275066 PEXQWTCSIYPIAC-WKWPXIAWSA-N 0 324.38 DG 3.112 0 Anodyne ref DGABRN O=[N+]([O-])/C=C/N1CC[C@H](c2ccccc2)[C@@]1(CO)c1ccccc1 Cc1nn(C(=O)OC(C)(C)C)c2ncc(Br)cc12 ZINC000072194497 68/99/09/293689909 ZVHYMSMKXHSFLB-UHFFFAOYSA-N 0 312.167 DG 3.285 0 Anodyne ref DGAARN Cc1nn(C(=O)OC(C)(C)C)c2ncc(Br)cc12 O=Cc1ccc2c(c1)CCN2CCCOC(=O)c1ccccc1 ZINC000082048436 35/32/85/192353285 ZPHWAEQEFHGYNT-UHFFFAOYSA-N 0 309.365 DG 3.109 0 Anodyne ref DGABRN O=Cc1ccc2c(c1)CCN2CCCOC(=O)c1ccccc1 O=C(O)c1c(Cl)cc(I)cc1Cl ZINC000095698518 21/71/08/304217108 XXOKETZHRNJXMT-UHFFFAOYSA-N -1 316.909 DG 3.296 0 Anodyne ref DGAARM O=C([O-])c1c(Cl)cc(I)cc1Cl CN1CC(=O)[C@@H](c2cc(Cl)ccc2Oc2ccccc2)C1=O ZINC000100038171 98/06/28/431980628 LAXTYFZLKJOGDP-MRXNPFEDSA-N 0 315.756 DG 3.257 0 Anodyne ref DGAARN CN1CC(=O)[C@@H](c2cc(Cl)ccc2Oc2ccccc2)C1=O CCCC[C@]1(c2ccccc2)C(=O)NN(c2ccccc2)C1=O ZINC000113042327 37/83/37/400378337 KKKXBFHDMMSFAP-IBGZPJMESA-N 0 308.381 DG 3.193 0 Clean ref DGCBRN CCCC[C@]1(c2ccccc2)C(=O)NN(c2ccccc2)C1=O CCCC[C@@]1(c2ccccc2)C(=O)NN(c2ccccc2)C1=O ZINC000113042330 37/82/46/400378246 KKKXBFHDMMSFAP-LJQANCHMSA-N 0 308.381 DG 3.193 0 Clean ref DGCBRN CCCC[C@@]1(c2ccccc2)C(=O)NN(c2ccccc2)C1=O