OC[C@@H](O)COc1ccc(Cl)cc1 ZINC000000000135 11/28/68/183112868 MXOAEAUPQDYUQM-MRVPVSSYSA-N 0 202.637 BD 1.072 0 Anodyne ref BDAARN OC[C@@H](O)COc1ccc(Cl)cc1 world O=[N+]([O-])c1ccc([C@@H]2OCOC[C@@H]2O)cc1 ZINC000000031377 01/67/71/344016771 JEAGEBJAKVKMBE-UWVGGRQHSA-N 0 225.2 BD 1.001 0 Bother ref BDBARN O=[N+]([O-])c1ccc([C@@H]2OCOC[C@@H]2O)cc1 O=[N+]([O-])c1ccc([C@H]2OCOC[C@@H]2O)cc1 ZINC000000031378 33/73/29/384337329 JEAGEBJAKVKMBE-VHSXEESVSA-N 0 225.2 BD 1.001 0 Bother ref BDBARN O=[N+]([O-])c1ccc([C@H]2OCOC[C@@H]2O)cc1 O=[N+]([O-])c1ccc([C@@H]2OCOC[C@H]2O)cc1 ZINC000000031379 24/40/42/187244042 JEAGEBJAKVKMBE-ZJUUUORDSA-N 0 225.2 BD 1.001 0 Bother ref BDBARN O=[N+]([O-])c1ccc([C@@H]2OCOC[C@H]2O)cc1 O=[N+]([O-])c1ccc([C@H]2OCOC[C@H]2O)cc1 ZINC000000031380 01/62/80/344016280 JEAGEBJAKVKMBE-NXEZZACHSA-N 0 225.2 BD 1.001 0 Bother ref BDBARN O=[N+]([O-])c1ccc([C@H]2OCOC[C@H]2O)cc1 O=C(O)[C@@H]1CCCN1C(=O)Nc1ccccc1 ZINC000000032133 67/03/32/342670332 ZEEAHHXBZHTCOI-JTQLQIEISA-N -1 234.255 BD 1.767 0 Anodyne ref BDAARM O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccccc1 O=C(O)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000000032134 53/61/33/182536133 ZEEAHHXBZHTCOI-SNVBAGLBSA-N -1 234.255 BD 1.767 0 Anodyne ref BDAARM O=C([O-])[C@H]1CCCN1C(=O)Nc1ccccc1 O=C(NCc1ccco1)c1ccccc1O ZINC000000035205 26/31/86/182263186 WWBUXXNYYBDQHB-UHFFFAOYSA-N -1 217.224 BD 1.915 3 Anodyne high BDAAHM O=C(NCc1ccco1)c1ccccc1[O-] O=C(NCc1ccco1)c1ccccc1O ZINC000000035205 26/31/83/182263183 WWBUXXNYYBDQHB-UHFFFAOYSA-N 0 217.224 BD 1.915 0 Anodyne ref BDAARN O=C(NCc1ccco1)c1ccccc1O O=C(NCc1cccnc1)c1ccccc1O ZINC000000036231 26/08/27/182260827 LLHYIXXSXIVIEP-UHFFFAOYSA-N -1 228.251 BD 1.717 3 Anodyne high BDAAHM O=C(NCc1cccnc1)c1ccccc1[O-] O=C(NCc1cccnc1)c1ccccc1O ZINC000000036231 26/08/22/182260822 LLHYIXXSXIVIEP-UHFFFAOYSA-N 0 228.251 BD 1.717 0 Anodyne ref BDAARN O=C(NCc1cccnc1)c1ccccc1O COc1cc(N)c(Cl)cc1C(=O)O ZINC000000036685 67/07/26/342670726 RVEATKYEARPWRE-UHFFFAOYSA-N -1 201.609 BD 1.629 0 Anodyne ref BDAARM COc1cc(N)c(Cl)cc1C(=O)[O-] in-vitro O=C(O)[C@H]1NCCc2c1[nH]c1ccccc21 ZINC000000038349 24/43/53/187244353 XGCIVVYTCDKDLC-NSHDSACASA-N 0 216.24 BD 1.439 0 Anodyne ref BDAARN O=C([O-])[C@H]1[NH2+]CCc2c1[nH]c1ccccc21 in-vitro O=C(O)[C@@H]1NCCc2c1[nH]c1ccccc21 ZINC000000038350 67/06/65/342670665 XGCIVVYTCDKDLC-LLVKDONJSA-N 0 216.24 BD 1.439 0 Anodyne ref BDAARN O=C([O-])[C@@H]1[NH2+]CCc2c1[nH]c1ccccc21 in-vitro C[C@H](NC(=O)Nc1ccccc1)C(=O)O ZINC000000039440 80/55/96/176805596 SWIUEMANOAFYHY-ZETCQYMHSA-N -1 208.217 BD 1.281 0 Anodyne ref BDAARM C[C@H](NC(=O)Nc1ccccc1)C(=O)[O-] in-vitro biogenic C[C@@H](NC(=O)Nc1ccccc1)C(=O)O ZINC000000039441 82/01/17/383820117 SWIUEMANOAFYHY-SSDOTTSWSA-N -1 208.217 BD 1.281 0 Anodyne ref BDAARM C[C@@H](NC(=O)Nc1ccccc1)C(=O)[O-] in-vitro biogenic O=C(O)[C@H]1CSC2(CCCCC2)N1 ZINC000000039918 67/09/55/342670955 HEUZVMPNXULHIT-SSDOTTSWSA-N -1 201.291 BD 1.436 1 Anodyne mid BDAAMM O=C([O-])[C@H]1CSC2(CCCCC2)N1 O=C(O)[C@H]1CSC2(CCCCC2)N1 ZINC000000039918 67/09/54/342670954 HEUZVMPNXULHIT-SSDOTTSWSA-N 0 201.291 BD 1.436 0 Anodyne ref BDAARN O=C([O-])[C@H]1CSC2(CCCCC2)[NH2+]1 O=C(O)[C@@H]1CSC2(CCCCC2)N1 ZINC000000039919 67/09/10/342670910 HEUZVMPNXULHIT-ZETCQYMHSA-N -1 201.291 BD 1.436 1 Anodyne mid BDAAMM O=C([O-])[C@@H]1CSC2(CCCCC2)N1 O=C(O)[C@@H]1CSC2(CCCCC2)N1 ZINC000000039919 67/09/09/342670909 HEUZVMPNXULHIT-ZETCQYMHSA-N 0 201.291 BD 1.436 0 Anodyne ref BDAARN O=C([O-])[C@@H]1CSC2(CCCCC2)[NH2+]1 O=C(O)C1(O)c2ccccc2-c2ccccc21 ZINC000000043476 81/97/74/383819774 GXAMYUGOODKVRM-UHFFFAOYSA-N -1 226.231 BD 1.988 0 Anodyne ref BDAARM O=C([O-])C1(O)c2ccccc2-c2ccccc21 in-vitro COc1ccccc1NC(=O)/C=C/C(=O)O ZINC000000048081 67/14/03/342671403 HGLMERMZXFKZOL-VOTSOKGWSA-N -1 221.212 BD 1.274 0 Anodyne ref BDAARM COc1ccccc1NC(=O)/C=C/C(=O)[O-] Cc1cccc(NCN2C(=O)CCC2=O)c1 ZINC000000050333 14/71/59/179147159 UGONRZHRYKPPJV-UHFFFAOYSA-N 0 218.256 BD 1.513 0 Anodyne ref BDAARN Cc1cccc(NCN2C(=O)CCC2=O)c1 Cc1nc2ccccc2c(C(=O)O)c1C(=O)O ZINC000000053704 10/10/84/180101084 BQGFRFCKVQNHEC-UHFFFAOYSA-N -2 231.207 BD 1.94 0 Anodyne ref BDAARL Cc1nc2ccccc2c(C(=O)[O-])c1C(=O)[O-] in-vitro biogenic O=C(O)/C=C/C(=O)Nc1ccccc1Cl ZINC000000053881 24/41/49/187244149 YZGAQJUBGHWISG-AATRIKPKSA-N -1 225.631 BD 1.919 0 Anodyne ref BDAARM O=C([O-])/C=C/C(=O)Nc1ccccc1Cl COc1ccc(NC(=O)/C=C/C(=O)O)cc1 ZINC000000053883 27/24/29/188272429 CCFLBHDPAUAJMZ-VOTSOKGWSA-N -1 221.212 BD 1.274 0 Anodyne ref BDAARM COc1ccc(NC(=O)/C=C/C(=O)[O-])cc1 Cc1ccc(NC(=O)/C=C/C(=O)O)c(C)c1 ZINC000000053895 82/08/72/383820872 YJSWFYKQDVWJSU-AATRIKPKSA-N -1 219.24 BD 1.883 0 Anodyne ref BDAARM Cc1ccc(NC(=O)/C=C/C(=O)[O-])c(C)c1 Cc1cccc(NC(=O)/C=C/C(=O)O)c1 ZINC000000053898 24/43/00/187244300 GTNDLSMAJWWVCH-AATRIKPKSA-N -1 205.213 BD 1.574 0 Anodyne ref BDAARM Cc1cccc(NC(=O)/C=C/C(=O)[O-])c1 Cc1cccc(C)c1NC(=O)/C=C/C(=O)O ZINC000000053900 67/16/96/342671696 BDIUUKLMBSBKIT-VOTSOKGWSA-N -1 219.24 BD 1.883 0 Anodyne ref BDAARM Cc1cccc(C)c1NC(=O)/C=C/C(=O)[O-] Cc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000000054928 44/59/05/384445905 OXBDLEXAVKAJFD-UHFFFAOYSA-N 0 215.23 BD 1.307 0 Bother ref BDBARN Cc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] Brc1ccc(-n2cnnn2)cc1 ZINC000000055393 09/86/03/166098603 SFMSAALWEDCZFB-UHFFFAOYSA-N 0 225.049 BD 1.425 0 Anodyne ref BDAARN Brc1ccc(-n2cnnn2)cc1 COC(=O)c1cc(Cl)cc(N)c1O ZINC000000056374 85/83/52/173858352 YPSOMLZFAVONTN-UHFFFAOYSA-N 0 201.609 BD 1.414 0 Anodyne ref BDAARN COC(=O)c1cc(Cl)cc(N)c1O in-vitro COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000056523 44/55/71/384445571 SYYKLKHBZGFKOC-UHFFFAOYSA-N 0 241.199 BD 1.399 0 Bother ref BDBARN COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] CCOC(=O)c1cnn(-c2ccc(F)cc2)c1N ZINC000000057700 30/33/61/170303361 RPPPCKSHIYWAPW-UHFFFAOYSA-N 0 249.245 BD 1.77 0 Anodyne ref BDAARN CCOC(=O)c1cnn(-c2ccc(F)cc2)c1N CCOC(=O)Cc1nc2ccccc2[nH]1 ZINC000000059627 23/73/12/170237312 JTVPWPDLKUQDAU-UHFFFAOYSA-N 0 204.229 BD 1.668 0 Anodyne ref BDAARN CCOC(=O)Cc1nc2ccccc2[nH]1 N#CCC(=O)NCc1ccc(Cl)cc1 ZINC000000060965 09/86/13/188098613 UKKHUKFEKBKULS-UHFFFAOYSA-N 0 208.648 BD 1.87 0 Mild ref BDEARN N#CCC(=O)NCc1ccc(Cl)cc1 CCOc1ccc(NC(=O)CC#N)cc1 ZINC000000064994 67/23/91/342672391 OVLKYXWCLMCKIB-UHFFFAOYSA-N 0 204.229 BD 1.937 0 Mild ref BDEARN CCOc1ccc(NC(=O)CC#N)cc1 COc1cc(/C=C/[N+](=O)[O-])cc(OC)c1OC ZINC000000071267 94/14/95/174941495 PEPYBEJQAIGLRE-SNAWJCMRSA-N 0 239.227 BD 1.96 0 Bother ref BDBARN COc1cc(/C=C/[N+](=O)[O-])cc(OC)c1OC COc1cc(CCC(=O)O)cc(OC)c1OC ZINC000000073032 97/74/59/174977459 ZCYXGVJUZBKJAI-UHFFFAOYSA-N -1 240.255 BD 1.73 0 Anodyne ref BDAARM COc1cc(CCC(=O)[O-])cc(OC)c1OC in-man endogenous CCOC(=O)COc1ccc(NC(C)=O)cc1 ZINC000000073247 22/92/15/170229215 HRTRDUZXXPCTOO-UHFFFAOYSA-N 0 237.255 BD 1.587 0 Anodyne ref BDAARN CCOC(=O)COc1ccc(NC(C)=O)cc1 O=C(O)/C=C/C(=O)Nc1ccc(Cl)cc1 ZINC000000075383 67/31/33/342673133 FBTQVXSNFILAQY-AATRIKPKSA-N -1 225.631 BD 1.919 0 Anodyne ref BDAARM O=C([O-])/C=C/C(=O)Nc1ccc(Cl)cc1 COC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000000080505 61/48/94/173614894 ZZVXTAUUUUCLAG-UHFFFAOYSA-N 0 211.173 BD 1.147 0 Bother ref BDBARN COC(=O)COc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1cccc(Cl)c1CCO ZINC000000081149 94/52/11/182945211 FLKQZNFLWOPRFX-UHFFFAOYSA-N 0 201.609 BD 1.783 0 Bother ref BDBARN O=[N+]([O-])c1cccc(Cl)c1CCO Cc1ccsc1[C@H]1N[C@H](C(=O)O)CS1 ZINC000000082613 67/35/72/342673572 DLPBHIQCNCYXEB-XPUUQOCRSA-N 0 229.326 BD 1.845 2 Anodyne low BDAALN Cc1ccsc1[C@H]1[NH2+][C@H](C(=O)[O-])CS1 Cc1ccsc1[C@H]1N[C@H](C(=O)O)CS1 ZINC000000082613 67/35/71/342673571 DLPBHIQCNCYXEB-XPUUQOCRSA-N -1 229.326 BD 1.845 0 Anodyne ref BDAARM Cc1ccsc1[C@H]1N[C@H](C(=O)[O-])CS1 Cc1ccsc1[C@@H]1N[C@H](C(=O)O)CS1 ZINC000000082616 67/32/25/342673225 DLPBHIQCNCYXEB-POYBYMJQSA-N 0 229.326 BD 1.845 2 Anodyne low BDAALN Cc1ccsc1[C@@H]1[NH2+][C@H](C(=O)[O-])CS1 Cc1ccsc1[C@@H]1N[C@H](C(=O)O)CS1 ZINC000000082616 67/32/22/342673222 DLPBHIQCNCYXEB-POYBYMJQSA-N -1 229.326 BD 1.845 0 Anodyne ref BDAARM Cc1ccsc1[C@@H]1N[C@H](C(=O)[O-])CS1 Cc1cc(N2CCNCC2)c2ccccc2n1 ZINC000000084212 31/25/08/132312508 XYBLCORUTWKJOI-UHFFFAOYSA-N 1 227.311 BD 1.953 3 Anodyne high BDAAHO Cc1cc(N2CC[NH2+]CC2)c2ccccc2n1 Cc1cc(N2CCNCC2)c2ccccc2n1 ZINC000000084212 31/25/07/132312507 XYBLCORUTWKJOI-UHFFFAOYSA-N 2 227.311 BD 1.953 0 Anodyne ref BDAARP Cc1cc(N2CC[NH2+]CC2)c2ccccc2[nH+]1 Brc1ccccc1-c1nnn[nH]1 ZINC000000085629 10/32/19/166103219 YHVBXKTXLJTDRI-UHFFFAOYSA-N -1 225.049 BD 1.629 3 Anodyne high BDAAHM Brc1ccccc1-c1nn[n-]n1 Brc1ccccc1-c1nnn[nH]1 ZINC000000085629 10/32/17/166103217 YHVBXKTXLJTDRI-UHFFFAOYSA-N -1 225.049 BD 1.629 3 Anodyne high BDAAHM Brc1ccccc1-c1nnn[n-]1 Brc1ccccc1-c1nnn[nH]1 ZINC000000085629 10/32/14/166103214 YHVBXKTXLJTDRI-UHFFFAOYSA-N 0 225.049 BD 1.629 0 Anodyne ref BDAARN Brc1ccccc1-c1nn[nH]n1 O=C(O)[C@@H]1CS[C@@H](c2ccccc2O)N1 ZINC000000087075 67/36/84/342673684 APAUAYLVDHNFBF-CBAPKCEASA-N -2 225.269 BD 1.18 3 Clean high BDCAHL O=C([O-])[C@@H]1CS[C@@H](c2ccccc2[O-])N1 O=C(O)[C@@H]1CS[C@@H](c2ccccc2O)N1 ZINC000000087075 67/36/82/342673682 APAUAYLVDHNFBF-CBAPKCEASA-N 0 225.269 BD 1.18 1 Clean mid BDCAMN O=C([O-])[C@@H]1CS[C@@H](c2ccccc2O)[NH2+]1 O=C(O)[C@@H]1CS[C@@H](c2ccccc2O)N1 ZINC000000087075 67/36/80/342673680 APAUAYLVDHNFBF-CBAPKCEASA-N -1 225.269 BD 1.18 0 Clean ref BDCARM O=C([O-])[C@@H]1CS[C@@H](c2ccccc2O)N1 O=C(O)[C@@H]1CS[C@H](c2ccccc2O)N1 ZINC000000087080 51/91/80/182519180 APAUAYLVDHNFBF-IONNQARKSA-N -2 225.269 BD 1.18 3 Clean high BDCAHL O=C([O-])[C@@H]1CS[C@H](c2ccccc2[O-])N1 O=C(O)[C@@H]1CS[C@H](c2ccccc2O)N1 ZINC000000087080 51/91/77/182519177 APAUAYLVDHNFBF-IONNQARKSA-N 0 225.269 BD 1.18 1 Clean mid BDCAMN O=C([O-])[C@@H]1CS[C@H](c2ccccc2O)[NH2+]1 O=C(O)[C@@H]1CS[C@H](c2ccccc2O)N1 ZINC000000087080 51/91/74/182519174 APAUAYLVDHNFBF-IONNQARKSA-N -1 225.269 BD 1.18 0 Clean ref BDCARM O=C([O-])[C@@H]1CS[C@H](c2ccccc2O)N1 CCOC(=O)c1cnn(-c2ccc(C)cc2)c1N ZINC000000087163 30/32/59/170303259 HYLAFESEWXPMFD-UHFFFAOYSA-N 0 245.282 BD 1.94 0 Anodyne ref BDAARN CCOC(=O)c1cnn(-c2ccc(C)cc2)c1N COC(=O)c1ccc(C2OCCCO2)cc1 ZINC000000087194 82/48/86/383824886 KMFDOQIVXCQKPY-UHFFFAOYSA-N 0 222.24 BD 1.909 0 Anodyne ref BDAARN COC(=O)c1ccc(C2OCCCO2)cc1 CCn1c(=O)n(CC)c2cc([N+](=O)[O-])ccc21 ZINC000000087290 13/34/60/172133460 LHKZIUFTPWMHKX-UHFFFAOYSA-N 0 235.243 BD 1.751 0 Bother ref BDBARN CCn1c(=O)n(CC)c2cc([N+](=O)[O-])ccc21 Nn1cnc2scc(-c3cccs3)c2c1=O ZINC000000087500 82/32/13/181823213 SANCXYPUUBVPJF-UHFFFAOYSA-N 0 249.32 BD 1.9 0 Anodyne ref BDAARN Nn1cnc2scc(-c3cccs3)c2c1=O NNc1ccc(I)cc1 ZINC000000088594 67/36/33/342673633 IQMLCMKMSBMMGR-UHFFFAOYSA-N 0 234.04 BD 1.577 0 Anodyne ref BDAARN NNc1ccc(I)cc1 CC1(C(=O)O)COC(c2ccccc2)OC1 ZINC000000089068 67/37/96/342673796 WDSCTZOPHREENN-UHFFFAOYSA-N -1 222.24 BD 1.823 0 Anodyne ref BDAARM CC1(C(=O)[O-])COC(c2ccccc2)OC1 CCOC(=O)c1[nH]c(C)c(C(=O)OCC)c1C ZINC000000097687 28/63/38/170286338 XSBSXJAYEPDGSF-UHFFFAOYSA-N 0 239.271 BD 1.985 0 Anodyne ref BDAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCC)c1C O=C(O)C[C@@H](O)c1nc2ccccc2[nH]1 ZINC000000099551 47/64/52/182476452 JXNVLFRNSKOUIE-MRVPVSSYSA-N -1 206.201 BD 1.071 0 Anodyne ref BDAARM O=C([O-])C[C@@H](O)c1nc2ccccc2[nH]1 O=C(O)C[C@H](O)c1nc2ccccc2[nH]1 ZINC000000099554 82/64/13/383826413 JXNVLFRNSKOUIE-QMMMGPOBSA-N -1 206.201 BD 1.071 0 Anodyne ref BDAARM O=C([O-])C[C@H](O)c1nc2ccccc2[nH]1 Nn1cnc2scc(-c3ccco3)c2c1=O ZINC000000102627 82/29/57/181822957 WYCWMBNIYAEFFF-UHFFFAOYSA-N 0 233.252 BD 1.432 0 Anodyne ref BDAARN Nn1cnc2scc(-c3ccco3)c2c1=O O=C(c1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000000103200 40/49/07/344404907 ZZSKMNCIAKKVRB-UHFFFAOYSA-N 0 236.227 BD 1.067 0 Bother ref BDBARN O=C(c1ccccc1[N+](=O)[O-])N1CCOCC1 O=C(c1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000000103206 40/51/83/344405183 WBTLBXTZTHPWQZ-UHFFFAOYSA-N 0 220.228 BD 1.831 0 Bother ref BDBARN O=C(c1ccccc1[N+](=O)[O-])N1CCCC1 COc1ccc(CN2C(=O)C=CC2=O)cc1 ZINC000000104048 09/77/49/175097749 JDVPTEHVKDQQAO-UHFFFAOYSA-N 0 217.224 BD 1.12 0 Anodyne ref BDAARN COc1ccc(CN2C(=O)C=CC2=O)cc1 Nc1nnc(-c2ccc(C(=O)O)cc2)s1 ZINC000000106364 81/26/16/181812616 LQHNMNCRCCSJQW-UHFFFAOYSA-N -1 221.241 BD 1.486 0 Anodyne ref BDAARM Nc1nnc(-c2ccc(C(=O)[O-])cc2)s1 in-vitro O=C1Nc2ccc(Br)cc2[C@H]1O ZINC000000108808 82/73/25/383827325 MLPDUEVGLOZRJI-SSDOTTSWSA-N 0 228.045 BD 1.435 0 Anodyne ref BDAARN O=C1Nc2ccc(Br)cc2[C@H]1O CNC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000000108934 28/20/26/173282026 INCDAYCZTFRGQP-VIFPVBQESA-N 0 236.296 BD 1.235 0 Anodyne ref BDAARN CNC(=O)C[C@@H]1Sc2ccccc2NC1=O CNC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000000108937 28/34/28/173283428 INCDAYCZTFRGQP-SECBINFHSA-N 0 236.296 BD 1.235 0 Anodyne ref BDAARN CNC(=O)C[C@H]1Sc2ccccc2NC1=O COC(=O)CSc1ccccc1C(=O)OC ZINC000000111425 67/50/76/342675076 VXMQJUUBNSATNU-UHFFFAOYSA-N 0 240.28 BD 1.738 0 Anodyne ref BDAARN COC(=O)CSc1ccccc1C(=O)OC O=C(O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000000112247 22/19/89/385221989 JYCUJLCLZHPKMS-UHFFFAOYSA-N -1 231.591 BD 1.712 0 Bother ref BDBARM O=C([O-])COc1ccc(Cl)cc1[N+](=O)[O-] Nc1nnc(SCc2cccnc2)s1 ZINC000000116910 83/03/78/383830378 WFNBJOAXBSZSLK-UHFFFAOYSA-N 0 224.314 BD 1.808 0 Anodyne ref BDAARN Nc1nnc(SCc2cccnc2)s1 O=C(O)c1c[nH]c2ccc(Cl)cc2c1=O ZINC000000117338 67/53/45/342675345 CDPXSMNKRFLXHU-UHFFFAOYSA-N -1 223.615 BD 1.88 1 Anodyne mid BDAAMM O=C(O)c1c[n-]c2ccc(Cl)cc2c1=O O=C(O)c1c[nH]c2ccc(Cl)cc2c1=O ZINC000000117338 67/53/44/342675344 CDPXSMNKRFLXHU-UHFFFAOYSA-N -1 223.615 BD 1.88 1 Anodyne mid BDAAMM O=C([O-])c1cnc2ccc(Cl)cc2c1O O=C(O)c1c[nH]c2ccc(Cl)cc2c1=O ZINC000000117338 67/53/43/342675343 CDPXSMNKRFLXHU-UHFFFAOYSA-N -1 223.615 BD 1.88 0 Anodyne ref BDAARM O=C([O-])c1c[nH]c2ccc(Cl)cc2c1=O COC(=O)COc1ccccc1[N+](=O)[O-] ZINC000000120463 55/45/10/344554510 DCTZWJFKYORNHV-UHFFFAOYSA-N 0 211.173 BD 1.147 0 Bother ref BDBARN COC(=O)COc1ccccc1[N+](=O)[O-] CCn1nc(C)c(Br)c1C(=O)O ZINC000000121429 24/17/21/172241721 CABAIQRHBLZKEG-UHFFFAOYSA-N -1 233.065 BD 1.672 0 Anodyne ref BDAARM CCn1nc(C)c(Br)c1C(=O)[O-] Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000000122384 31/27/66/132312766 BBUAXVLPFRRBQR-UHFFFAOYSA-N 0 212.68 BD 1.759 0 Anodyne ref BDAARN Nc1ccc(N2CCOCC2)c(Cl)c1 O=C1NC(=O)[C@]2(CCCc3ccccc32)N1 ZINC000000124607 67/57/60/342675760 OZYWLMZRNIFQPM-GFCCVEGCSA-N -1 216.24 BD 1.058 3 Anodyne high BDAAHM O=C1[N-]C(=O)[C@]2(CCCc3ccccc32)N1 O=C1NC(=O)[C@]2(CCCc3ccccc32)N1 ZINC000000124607 67/57/59/342675759 OZYWLMZRNIFQPM-GFCCVEGCSA-N 0 216.24 BD 1.058 0 Anodyne ref BDAARN O=C1NC(=O)[C@]2(CCCc3ccccc32)N1 O=C1NC(=O)[C@@]2(CCCc3ccccc32)N1 ZINC000000124610 67/57/27/342675727 OZYWLMZRNIFQPM-LBPRGKRZSA-N -1 216.24 BD 1.058 3 Anodyne high BDAAHM O=C1[N-]C(=O)[C@@]2(CCCc3ccccc32)N1 O=C1NC(=O)[C@@]2(CCCc3ccccc32)N1 ZINC000000124610 67/57/26/342675726 OZYWLMZRNIFQPM-LBPRGKRZSA-N 0 216.24 BD 1.058 0 Anodyne ref BDAARN O=C1NC(=O)[C@@]2(CCCc3ccccc32)N1 Cn1cnnc1-c1cccc([N+](=O)[O-])c1 ZINC000000124794 67/57/09/342675709 QXWWRCQULISQCV-UHFFFAOYSA-N 0 204.189 BD 1.39 0 Bother ref BDBARN Cn1cnnc1-c1cccc([N+](=O)[O-])c1 O=C(c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000000124903 66/49/90/182664990 VGGZQWDRWOXJTA-UHFFFAOYSA-N 0 236.227 BD 1.067 0 Bother ref BDBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCOCC1 O=C(O)CN1C(=O)c2cccc3cccc1c23 ZINC000000128288 46/15/50/182461550 CXOJEFXQICMXBG-UHFFFAOYSA-N -1 227.219 BD 1.885 0 Anodyne ref BDAARM O=C([O-])CN1C(=O)c2cccc3cccc1c23 Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 ZINC000000128508 67/61/05/342676105 VFMDYLPJOGARCK-LLVKDONJSA-N 0 220.272 BD 1.178 0 Anodyne ref BDAARN Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000000128511 67/60/42/342676042 VFMDYLPJOGARCK-NSHDSACASA-N 0 220.272 BD 1.178 0 Anodyne ref BDAARN Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 OC[C@H](O)COc1ccc(Cl)cc1 ZINC000000129343 14/36/69/183143669 MXOAEAUPQDYUQM-QMMMGPOBSA-N 0 202.637 BD 1.072 0 Anodyne ref BDAARN OC[C@H](O)COc1ccc(Cl)cc1 world CCOC(=O)COc1ccccc1C#N ZINC000000134947 22/95/36/170229536 ORNAPWRLYAJFON-UHFFFAOYSA-N 0 205.213 BD 1.5 0 Mild ref BDEARN CCOC(=O)COc1ccccc1C#N Nc1ccccc1C(=O)NCc1cccnc1 ZINC000000137143 67/68/26/342676826 VQCAHUSKECKWPX-UHFFFAOYSA-N 0 227.267 BD 1.594 0 Anodyne ref BDAARN Nc1ccccc1C(=O)NCc1cccnc1 COc1cc(CC(=O)O)c([N+](=O)[O-])cc1OC ZINC000000137205 67/65/70/342676570 WJPMJFUEMVXUCV-UHFFFAOYSA-N -1 241.199 BD 1.239 0 Bother ref BDBARM COc1cc(CC(=O)[O-])c([N+](=O)[O-])cc1OC COc1cc2c(c(OC)c1OC)COC2=O ZINC000000138990 02/05/29/175020529 SRBRUXANGPVKMN-UHFFFAOYSA-N 0 224.212 BD 1.383 0 Anodyne ref BDAARN COc1cc2c(c(OC)c1OC)COC2=O O=C(O)[C@@H]1CCCN1Cc1ccccc1 ZINC000000139537 67/65/73/342676573 XNROFTAJEGCDCT-NSHDSACASA-N 0 205.257 BD 1.736 1 Anodyne mid BDAAMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1ccccc1 in-vitro O=C(O)[C@@H]1CCCN1Cc1ccccc1 ZINC000000139537 67/65/72/342676572 XNROFTAJEGCDCT-NSHDSACASA-N 0 205.257 BD 1.736 0 Anodyne ref BDAARN O=C([O-])[C@@H]1CCC[N@@H+]1Cc1ccccc1 in-vitro