O=C(COc1ccc(Br)cc1)NN1C(=O)c2ccccc2C1=O ZINC000000670489 25/79/86/209257986 VZJBJPKZUITJGX-UHFFFAOYSA-N -1 375.178 GE 2.155 3 Anodyne high GEAAHM O=C(COc1ccc(Br)cc1)[N-]N1C(=O)c2ccccc2C1=O O=C(COc1ccc(Br)cc1)NN1C(=O)c2ccccc2C1=O ZINC000000670489 25/79/83/209257983 VZJBJPKZUITJGX-UHFFFAOYSA-N 0 375.178 GE 2.155 0 Anodyne ref GEAARN O=C(COc1ccc(Br)cc1)NN1C(=O)c2ccccc2C1=O COc1ccc(CC(=O)N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)cc1 ZINC000000670778 17/21/66/212172166 DILXENIQRJYKLY-UHFFFAOYSA-N 0 382.46 GE 2.16 0 Anodyne ref GEAARN COc1ccc(CC(=O)N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)cc1 COc1cccc(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1O ZINC000000670928 17/21/46/212172146 RFUFVGIXVVFNPS-CPNJWEJPSA-N 0 376.434 GE 2.172 0 Mild ref GEEARN COc1cccc(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1O Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000671127 25/81/49/209258149 NTIRFBMYKYOGTP-UHFFFAOYSA-N 0 390.461 GE 2.033 0 Anodyne ref GEAARN Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 Cc1cccc(OCC(=O)N2CCN(C(=O)COc3cccc(C)c3)CC2)c1 ZINC000000671129 31/51/55/206315155 GKGPNFRYMHAAEY-UHFFFAOYSA-N 0 382.46 GE 2.432 0 Anodyne ref GEAARN Cc1cccc(OCC(=O)N2CCN(C(=O)COc3cccc(C)c3)CC2)c1 Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000000671199 84/68/70/203846870 LJIUXYBGUSNXAW-UHFFFAOYSA-N 0 390.461 GE 2.033 0 Anodyne ref GEAARN Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 Cc1ccc(OCC(=O)N2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1 ZINC000000671221 17/17/08/212171708 VQDQZTLOPJNUCD-UHFFFAOYSA-N 0 382.46 GE 2.432 0 Anodyne ref GEAARN Cc1ccc(OCC(=O)N2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1 CCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1 ZINC000000671377 31/54/14/206315414 ZPBKBNZIECGLRQ-UHFFFAOYSA-N 0 380.426 GE 2.033 2 Anodyne low GEAALN CCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1 CCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1 ZINC000000671377 31/54/08/206315408 ZPBKBNZIECGLRQ-UHFFFAOYSA-N -1 380.426 GE 2.033 0 Anodyne ref GEAARM CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(OC)nc(OC)n2)cc1 CCOC(=O)/C(C#N)=N/Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000000672250 39/89/24/520398924 WSGJOGDFDJIKNC-OQKWZONESA-N -1 398.444 GE 2.293 3 Mild high GEEAHM CCOC(=O)C(C#N)=N[N-]c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 CCOC(=O)/C(C#N)=N/Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000000672250 39/89/07/520398907 WSGJOGDFDJIKNC-OQKWZONESA-N 0 398.444 GE 2.293 0 Mild ref GEEARN CCOC(=O)C(C#N)=NNc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 COc1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1Br ZINC000000672580 25/74/08/209257408 RBNOGGIGLSXQLF-UHFFFAOYSA-N 0 375.178 GE 2.399 0 Anodyne ref GEAARN COc1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1Br CC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000000672636 25/84/65/209258465 YMQKBFVCQUGPOX-UHFFFAOYSA-N -1 382.825 GE 2.182 0 Anodyne ref GEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 CC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 ZINC000000672642 25/76/36/209257636 FMIANFJAAYQFAH-UHFFFAOYSA-N -1 396.852 GE 2.491 0 Anodyne ref GEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000674058 31/58/45/206315845 LBAAGDURWZCZJU-UHFFFAOYSA-N 0 390.461 GE 2.497 0 Anodyne ref GEAARN COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2)cc1 ZINC000000674289 25/79/61/209257961 DAXQQSKDQBLRAM-UHFFFAOYSA-N -2 378.406 GE 2.299 3 Anodyne high GEAAHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2)cc1 ZINC000000674289 25/79/55/209257955 DAXQQSKDQBLRAM-UHFFFAOYSA-N -1 378.406 GE 2.299 0 Anodyne ref GEAARM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 Cc1cc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1Br ZINC000000674652 25/82/23/209258223 IAVCESNCUXPDCC-UHFFFAOYSA-N 0 399.266 GE 2.422 0 Anodyne ref GEAARN Cc1cc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1Br CC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2cc(C)ccc2C)cc1 ZINC000000674970 25/77/21/209257721 TVLAZVKPADNGGV-UHFFFAOYSA-N -1 376.434 GE 2.146 0 Anodyne ref GEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)COc2cc(C)ccc2C)cc1 Cc1cc(Br)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000000674985 31/50/87/206315087 DWTFHESMYNWJGC-UHFFFAOYSA-N 0 399.266 GE 2.422 0 Anodyne ref GEAARN Cc1cc(Br)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000000675449 25/82/97/209258297 ZVXDQQXILFYFIX-UHFFFAOYSA-N 0 390.461 GE 2.399 0 Anodyne ref GEAARN COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1 ZINC000000675459 17/17/53/212171753 FPDIQELVJZANMF-UHFFFAOYSA-N -1 376.434 GE 2.311 0 Anodyne ref GEAARM CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 CC1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)C3CC3)cc2)CC1 ZINC000000676438 25/78/59/209257859 MVEOTEVWAOLDKE-UHFFFAOYSA-N 0 381.523 GE 2.33 0 Anodyne ref GEAARN CC1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)C3CC3)cc2)CC1 COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000000676645 25/78/47/209257847 QTPXDVBULAKVOS-UHFFFAOYSA-N 0 390.461 GE 2.497 0 Anodyne ref GEAARN COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000000677217 50/14/23/531501423 WPVHMIPIDHVXSM-UHFFFAOYSA-N 0 375.475 GE 2.271 0 Anodyne ref GEAARN CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(C)=O)cc2)cc1 ZINC000000677221 17/32/82/212173282 ZXPQWBXOXKSSLE-UHFFFAOYSA-N -1 379.463 GE 2.329 3 Anodyne high GEAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(C)=O)cc2)cc1 COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(C)=O)cc2)cc1 ZINC000000677221 17/32/80/212173280 ZXPQWBXOXKSSLE-UHFFFAOYSA-N 0 379.463 GE 2.329 0 Anodyne ref GEAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(C)=O)cc2)cc1 CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000000677222 17/32/59/212173259 FXYWJSOJDPWDQI-UHFFFAOYSA-N 0 377.491 GE 2.34 0 Anodyne ref GEAARN CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 COc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nc(OC)n1 ZINC000000711928 21/93/62/570219362 ORPRTQGZPAEJOQ-UHFFFAOYSA-N 0 394.453 GE 2.279 2 Anodyne low GEAALN COc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nc(OC)n1 COc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nc(OC)n1 ZINC000000711928 21/93/61/570219361 ORPRTQGZPAEJOQ-UHFFFAOYSA-N -1 394.453 GE 2.279 0 Anodyne ref GEAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nc(OC)n1 O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000794198 18/29/66/212182966 AEHHEMNCHDRRGT-HOTGVXAUSA-N -1 380.466 GE 2.301 0 Anodyne ref GEAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000794200 18/26/91/212182691 AEHHEMNCHDRRGT-CVEARBPZSA-N -1 380.466 GE 2.301 0 Anodyne ref GEAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000000813051 18/44/69/212184469 HWHHQSMYONQDQB-UHFFFAOYSA-N 0 388.445 GE 2.33 0 Anodyne ref GEAARN COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 O=C(NN1C(=O)c2ccccc2C1=O)c1ccccc1I ZINC000000865488 27/49/75/209274975 ISENFGZYLANKNL-UHFFFAOYSA-N -1 392.152 GE 2.232 1 Anodyne mid GEAAMM O=C([N-]N1C(=O)c2ccccc2C1=O)c1ccccc1I O=C(NN1C(=O)c2ccccc2C1=O)c1ccccc1I ZINC000000865488 27/49/70/209274970 ISENFGZYLANKNL-UHFFFAOYSA-N 0 392.152 GE 2.232 0 Anodyne ref GEAARN O=C(NN1C(=O)c2ccccc2C1=O)c1ccccc1I Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000000888646 46/36/67/220463667 NSYLNCNLYREROI-UHFFFAOYSA-N 0 390.461 GE 2.033 0 Anodyne ref GEAARN Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 COC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)c(I)c1 ZINC000001003748 34/08/70/206340870 VNZNRPRFNKDVCJ-NSHDSACASA-N 0 389.189 GE 2.077 0 Anodyne ref GEAARN COC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)c(I)c1 COC(=O)[C@H]1CCCN1C(=O)c1ccc(OC)c(I)c1 ZINC000001003749 50/02/51/531500251 VNZNRPRFNKDVCJ-LLVKDONJSA-N 0 389.189 GE 2.077 0 Anodyne ref GEAARN COC(=O)[C@H]1CCCN1C(=O)c1ccc(OC)c(I)c1 CC(=O)NC(=S)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000001003784 50/00/06/531500006 DOBGFUOKWFYGRU-UHFFFAOYSA-N 0 377.491 GE 2.04 0 Anodyne ref GEAARN CC(=O)NC(=S)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 COc1ccc(C(=O)NC(=S)NC(C)C)cc1I ZINC000001003823 87/27/09/203872709 UURLQFBYIJYADD-UHFFFAOYSA-N 0 378.235 GE 2.313 0 Anodyne ref GEAARN COc1ccc(C(=O)NC(=S)NC(C)C)cc1I O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCC1 ZINC000001003836 34/08/37/206340837 CGXFLIBUCLBZKP-UHFFFAOYSA-N 0 381.523 GE 2.474 0 Anodyne ref GEAARN O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCC1 CC(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001077908 74/90/66/570749066 MXKXWKLQNDAHAY-UHFFFAOYSA-N 0 393.421 GE 2.299 0 Bother ref GEBARN CC(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 O=C(COc1ccc(Br)cc1Cl)NC(=S)N1CCOCC1 ZINC000001100705 21/65/92/212216592 BEALDFVEANSXQP-UHFFFAOYSA-N 0 393.69 GE 2.215 0 Anodyne ref GEAARN O=C(COc1ccc(Br)cc1Cl)NC(=S)N1CCOCC1 O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000001117386 21/88/90/212218890 PUASGXRWQKQFMX-UHFFFAOYSA-N -1 376.434 GE 2.011 0 Anodyne ref GEAARM O=C([O-])CCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 O=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000001130138 35/73/16/206357316 ZEUYQFSEAZLNEL-XCVCLJGOSA-N 0 390.436 GE 2.499 0 Anodyne ref GEAARN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 Cc1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(Br)c1 ZINC000001145400 30/68/58/209306858 AQTNWGKJYCPJRS-UHFFFAOYSA-N 0 399.266 GE 2.422 0 Anodyne ref GEAARN Cc1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(Br)c1 CCOC(=O)N1CCN(C(=O)COc2ccc(Br)cc2C)CC1 ZINC000001160449 25/16/94/570251694 FWJRTRWACQZYRY-UHFFFAOYSA-N 0 385.258 GE 2.437 0 Anodyne ref GEAARN CCOC(=O)N1CCN(C(=O)COc2ccc(Br)cc2C)CC1 O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCCC1 ZINC000001236209 31/81/73/209318173 WBWQJJMKTRBHGP-UHFFFAOYSA-N 0 381.523 GE 2.474 0 Anodyne ref GEAARN O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCCC1 C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001794773 26/86/71/570268671 SWVBUNAKACUKAT-UHFFFAOYSA-N -1 393.377 GE 2.277 0 Mild ref GEEARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 NC(=O)c1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1C(N)=O ZINC000001807094 34/04/15/209340415 WLLPZNOSCPETGF-UHFFFAOYSA-N 0 382.42 GE 2.022 0 Anodyne ref GEAARN NC(=O)c1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1C(N)=O NC(=O)c1cccc(NC(=O)CCCCC(=O)Nc2cccc(C(N)=O)c2)c1 ZINC000001807105 26/89/73/570268973 DYGRKKGUJBXSKW-UHFFFAOYSA-N 0 382.42 GE 2.022 0 Anodyne ref GEAARN NC(=O)c1cccc(NC(=O)CCCCC(=O)Nc2cccc(C(N)=O)c2)c1 CCN(CC)S(=O)(=O)c1ccc(NN=C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000001889431 34/11/34/209341134 IBWKIBXAAMZWKM-UHFFFAOYSA-N 0 379.482 GE 2.443 0 Mild ref GEEARN CCN(CC)S(=O)(=O)c1ccc(NN=C2C(=O)CC(C)(C)CC2=O)cc1 CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 ZINC000002134190 34/75/21/209347521 DFLOXBLDZYYGCX-UHFFFAOYSA-N 0 381.41 GE 2.066 2 Anodyne low GEAALN CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 ZINC000002134190 34/75/18/209347518 DFLOXBLDZYYGCX-UHFFFAOYSA-N -1 381.41 GE 2.066 0 Anodyne ref GEAARM CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 CCCC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 ZINC000002135715 50/32/95/531503295 YFBHSDPMIYRFQU-UHFFFAOYSA-N 0 382.467 GE 2.397 2 Anodyne low GEAALN CCCC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 CCCC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 ZINC000002135715 50/32/82/531503282 YFBHSDPMIYRFQU-UHFFFAOYSA-N 0 382.467 GE 2.397 0 Anodyne ref GEAARN CCCC(=O)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 COc1ccc(OCC(=O)NC(=S)Nc2sc(C)c(C)c2C(N)=O)cc1 ZINC000002135894 39/97/63/206399763 CEFCWHADJXWAMU-UHFFFAOYSA-N 0 393.49 GE 2.364 0 Anodyne ref GEAARN COc1ccc(OCC(=O)NC(=S)Nc2sc(C)c(C)c2C(N)=O)cc1 Cc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)C)cc2)no1 ZINC000002137064 50/21/59/531502159 NMQJLAITAKZPHK-UHFFFAOYSA-N 0 382.467 GE 2.253 2 Anodyne low GEAALN Cc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)C)cc2)no1 Cc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)C)cc2)no1 ZINC000002137064 50/21/45/531502145 NMQJLAITAKZPHK-UHFFFAOYSA-N 0 382.467 GE 2.253 0 Anodyne ref GEAARN Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)C)cc2)no1 CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000002137069 50/24/89/531502489 GUGPYLPNNMTUHI-UHFFFAOYSA-N 0 384.508 GE 2.413 2 Anodyne low GEAALN CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000002137069 50/24/81/531502481 GUGPYLPNNMTUHI-UHFFFAOYSA-N 0 384.508 GE 2.413 0 Anodyne ref GEAARN CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)/C=C/C(=O)OCC)cc1 ZINC000002137133 10/19/88/212101988 KODFPUCSQAAGOS-VAWYXSNFSA-N 0 378.45 GE 2.107 0 Mild ref GEEARN C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)/C=C/C(=O)OCC)cc1 CCOC(=O)N1CCN(C(=O)COc2ccc(C)cc2Br)CC1 ZINC000002373138 94/00/36/203940036 WUQDMKKQNJBMCE-UHFFFAOYSA-N 0 385.258 GE 2.437 0 Anodyne ref GEAARN CCOC(=O)N1CCN(C(=O)COc2ccc(C)cc2Br)CC1 CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000002696247 29/54/79/570295479 MKWPQGARVRCFKR-UHFFFAOYSA-N 0 382.482 GE 2.389 0 Anodyne ref GEAARN CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000002696496 29/54/76/570295476 YXRRDVYOJTZLAS-CMDGGOBGSA-N 0 380.466 GE 2.165 0 Anodyne ref GEAARN CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 COC(=O)CCC(=O)NC(=S)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000002697827 50/44/74/531504474 FHJPQHMCKIBSQD-UHFFFAOYSA-N 0 384.479 GE 2.18 0 Anodyne ref GEAARN COC(=O)CCC(=O)NC(=S)Nc1sc2c(c1C(=O)OC)CCCC2 CCc1ccc(OCC(=O)NC(=S)N2CCOCC2)c(Br)c1 ZINC000002841773 43/98/15/206439815 CVQJHMKWJIPQOV-UHFFFAOYSA-N 0 387.299 GE 2.124 0 Anodyne ref GEAARN CCc1ccc(OCC(=O)NC(=S)N2CCOCC2)c(Br)c1 O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccco1 ZINC000003207943 33/28/53/570332853 MTCGFTNNTQWSME-UHFFFAOYSA-N 0 379.463 GE 2.191 0 Anodyne ref GEAARN O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccco1 O=C(/C=C/c1cccs1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003209285 33/28/09/570332809 JZEKCJPTNTVJMJ-VMPITWQZSA-N 0 378.475 GE 2.421 0 Anodyne ref GEAARN O=C(/C=C/c1cccs1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 COC(=O)CCC(=O)NC(=S)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000004335394 36/92/01/570369201 FMLSTBWTOVVUAV-UHFFFAOYSA-N 0 391.493 GE 2.469 0 Anodyne ref GEAARN COC(=O)CCC(=O)NC(=S)Nc1ccccc1C(=O)N1CCCCCC1 COC(=O)CCC(=O)NC(=S)Nc1ccccc1C(=O)N1CCC(C)CC1 ZINC000004335396 36/89/52/570368952 WMXKCVBORXMEIJ-UHFFFAOYSA-N 0 391.493 GE 2.325 0 Anodyne ref GEAARN COC(=O)CCC(=O)NC(=S)Nc1ccccc1C(=O)N1CCC(C)CC1 CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000004551678 38/36/15/570383615 ASWRENOLSGYEGB-OUKQBFOZSA-N 0 380.466 GE 2.355 0 Anodyne ref GEAARN CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000004590577 38/59/93/570385993 FZPKRLVAYCWBDT-LDADJPATSA-N 0 391.405 GE 2.072 2 Mild low GEEALN O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000004590577 38/59/85/570385985 FZPKRLVAYCWBDT-LDADJPATSA-N -1 391.405 GE 2.072 0 Mild ref GEEARM O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Br ZINC000004603543 51/69/10/531516910 XNZJVLADNUHTII-UHFFFAOYSA-N 0 385.239 GE 2.357 0 Anodyne ref GEAARN COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Br C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1 ZINC000004621815 07/99/03/212079903 NGPKBJIWYWVEEZ-UHFFFAOYSA-N 0 379.507 GE 2.272 0 Mild ref GEEARN C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1 COc1ccc(OCC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2O)cc1 ZINC000004676417 81/73/60/570817360 SHHVLEJOVZXVBP-UHFFFAOYSA-N 0 377.378 GE 2.201 1 Bother mid GEBAMN COc1ccc(OCC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2O)cc1 COc1ccc(OCC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2O)cc1 ZINC000004676417 81/73/54/570817354 SHHVLEJOVZXVBP-UHFFFAOYSA-N -1 377.378 GE 2.201 0 Bother ref GEBARM COc1ccc(OCC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2[O-])cc1 CCOC(=O)/C=C/C(=O)NC(=S)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000004699196 39/47/22/570394722 IRXKRWNKRRYXIJ-CMDGGOBGSA-N 0 396.49 GE 2.346 0 Anodyne ref GEAARN CCOC(=O)/C=C/C(=O)NC(=S)Nc1sc2c(c1C(=O)OC)CCCC2 CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000004784079 07/60/98/204076098 JIVJNKNJHHJERG-UHFFFAOYSA-N 0 390.461 GE 2.447 0 Anodyne ref GEAARN CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 CC(C)(C)OC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCCc1ccccc1 ZINC000004943962 41/92/27/570419227 GLSBTRLFVQUWNT-INIZCTEOSA-N 0 376.453 GE 2.288 0 Anodyne ref GEAARN CC(C)(C)OC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCCc1ccccc1 CC(C)(C)OC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCCc1ccccc1 ZINC000004943963 41/92/14/570419214 GLSBTRLFVQUWNT-MRXNPFEDSA-N 0 376.453 GE 2.288 0 Anodyne ref GEAARN CC(C)(C)OC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCCc1ccccc1 CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000004975443 42/06/78/570420678 BJUVBTDRKWDHBW-QGZVFWFLSA-N 0 390.48 GE 2.032 0 Anodyne ref GEAARN CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1ccc(C(C)(C)C)cc1 CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000004975445 42/06/93/570420693 BJUVBTDRKWDHBW-KRWDZBQOSA-N 0 390.48 GE 2.032 0 Anodyne ref GEAARN CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=O)COc1ccc(C(C)(C)C)cc1 Cc1ccc(N/N=C2\C(=O)N(C(N)=S)N=C2c2ccccc2)cc1[N+](=O)[O-] ZINC000006088582 16/48/03/204164803 FIJJEUCZBKWQOY-HKWRFOASSA-N -1 382.405 GE 2.161 0 Mild ref GEEARM Cc1ccc(N=Nc2c(-c3ccccc3)[n-]n(C(N)=S)c2=O)cc1[N+](=O)[O-] CC(C)(C)OC(=O)NC(=NS(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C ZINC000006145892 52/31/11/531523111 GOQZIPJCBUYLIR-UHFFFAOYSA-N -1 391.368 GE 2.241 0 Mild ref GEEARM CC(C)(C)OC(=O)N=C([N-]S(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C CCCCOc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC(C)C)cc1 ZINC000006730465 49/10/80/570491080 HVLXKFGJSBSFSC-KRWDZBQOSA-N 0 376.453 GE 2.148 0 Anodyne ref GEAARN CCCCOc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC(C)C)cc1 CCCCOc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OC(C)C)cc1 ZINC000006730467 49/11/77/570491177 HVLXKFGJSBSFSC-QGZVFWFLSA-N 0 376.453 GE 2.148 0 Anodyne ref GEAARN CCCCOc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OC(C)C)cc1 CCOc1cccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCc2ccccc2)c1 ZINC000006743062 49/15/93/570491593 GZHSEGLJISTTQT-IBGZPJMESA-N 0 396.443 GE 2.159 0 Anodyne ref GEAARN CCOc1cccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCc2ccccc2)c1 CCOc1cccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OCc2ccccc2)c1 ZINC000006743064 19/82/16/204198216 GZHSEGLJISTTQT-LJQANCHMSA-N 0 396.443 GE 2.159 0 Anodyne ref GEAARN CCOc1cccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OCc2ccccc2)c1 C=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 ZINC000006855964 14/23/18/209142318 PQPAJUZFZPMBGD-UHFFFAOYSA-N 0 375.475 GE 2.278 0 Mild ref GEEARN C=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 CC(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000007645985 00/44/14/221004414 COBWAUBDRAMOKC-UHFFFAOYSA-N 0 393.421 GE 2.299 0 Bother ref GEBARN CC(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000008072813 52/21/33/570522133 AHGDAPNEAVBZRI-AWEZNQCLSA-N 0 399.403 GE 2.473 0 Bother ref GEBARN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)N1CCOCC1 NS(=O)(=O)c1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000008074144 02/64/36/221026436 ASYZUVFJUHHONL-INIZCTEOSA-N 0 376.434 GE 2.144 0 Anodyne ref GEAARN NS(=O)(=O)c1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 NS(=O)(=O)c1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000008074146 26/05/45/204260545 ASYZUVFJUHHONL-MRXNPFEDSA-N 0 376.434 GE 2.144 0 Anodyne ref GEAARN NS(=O)(=O)c1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 C=CCNS(=O)(=O)c1ccc(NC(=O)COc2ccc(OC)cc2)cc1 ZINC000008492196 22/10/26/570221026 JHLDUJAPOUFMLJ-UHFFFAOYSA-N 0 376.434 GE 2.177 0 Mild ref GEEARN C=CCNS(=O)(=O)c1ccc(NC(=O)COc2ccc(OC)cc2)cc1 C=CCNS(=O)(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000008554578 22/17/13/570221713 FGLHPUCRHPSRAR-UHFFFAOYSA-N 0 391.405 GE 2.077 0 Mild ref GEEARN C=CCNS(=O)(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000008562399 27/94/57/204279457 CFTJMWBVABHXEG-AWEZNQCLSA-N 0 399.403 GE 2.473 0 Bother ref GEBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 COCCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 ZINC000008723146 28/58/92/204285892 YRPHEISOSLLLJE-UHFFFAOYSA-N 0 384.432 GE 2.437 0 Anodyne ref GEAARN COCCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1