C=CCc1ccc(O)c(OC)c1 ZINC000000001411 20/61/38/166206138 RRAFCDWBNXTKKO-UHFFFAOYSA-N 0 164.204 AE 2.129 0 Mild ref AEEARN C=CCc1ccc(O)c(OC)c1 fda endogenous Oc1ccc(Cl)cc1 ZINC000000001885 92/36/53/342923653 WXNZTHHGJRFXKQ-UHFFFAOYSA-N -1 128.558 AE 2.046 3 Anodyne high AEAAHM [O-]c1ccc(Cl)cc1 world Oc1ccc(Cl)cc1 ZINC000000001885 92/36/52/342923652 WXNZTHHGJRFXKQ-UHFFFAOYSA-N 0 128.558 AE 2.046 0 Anodyne ref AEAARN Oc1ccc(Cl)cc1 world O=C(O)CCc1c[nH]c2ccccc12 ZINC000000007700 33/93/95/169339395 GOLXRNDWAUTYKT-UHFFFAOYSA-N -1 189.214 AE 2.185 0 Anodyne ref AEAARM O=C([O-])CCc1c[nH]c2ccccc12 in-man endogenous Nc1ccc(Br)cc1 ZINC000000013614 29/03/00/169290300 WDFQBORIUYODSI-UHFFFAOYSA-N 0 172.025 AE 2.031 0 Anodyne ref AEAARN Nc1ccc(Br)cc1 c1ccc2scnc2c1 ZINC000000019726 26/81/87/351268187 IOJUPLGTWVMSFF-UHFFFAOYSA-N 0 135.191 AE 2.296 0 Anodyne ref AEAARN c1ccc2scnc2c1 in-man endogenous NCc1cnc(-c2ccccc2)s1 ZINC000000038493 22/63/34/169226334 PKLIUDDDCZOCFU-UHFFFAOYSA-N 0 190.271 AE 2.269 3 Anodyne high AEAAHN NCc1cnc(-c2ccccc2)s1 NCc1cnc(-c2ccccc2)s1 ZINC000000038493 22/63/32/169226332 PKLIUDDDCZOCFU-UHFFFAOYSA-N 1 190.271 AE 2.269 0 Anodyne ref AEAARO [NH3+]Cc1cnc(-c2ccccc2)s1 O=Cc1ccc(Br)cc1 ZINC000000039555 99/05/40/170990540 ZRYZBQLXDKPBDU-UHFFFAOYSA-N 0 185.02 AE 2.262 0 Anodyne ref AEAARN O=Cc1ccc(Br)cc1 Cc1cc(C)c(C#N)c(=S)[nH]1 ZINC000000039678 92/44/66/342924466 CZRHEROEPICLRO-UHFFFAOYSA-N 0 164.233 AE 2.233 0 Mild ref AEEARN Cc1cc(C)c(C#N)c(=S)[nH]1 c1cc(-c2ccncc2)ccn1 ZINC000000043467 26/85/69/351268569 MWVTWFVJZLCBMC-UHFFFAOYSA-N 0 156.188 AE 2.144 0 Anodyne ref AEAARN c1cc(-c2ccncc2)ccn1 in-vitro Cc1ccc(C=C(C#N)C#N)o1 ZINC000000043639 60/03/80/263600380 LYDFGOIVNORMMX-UHFFFAOYSA-N 0 158.16 AE 2.019 0 Reactive ref AEGARN Cc1ccc(C=C(C#N)C#N)o1 CCCC(=O)Nc1ccc(C#N)cc1 ZINC000000045827 92/50/17/342925017 VLSIBUKRBDSNAJ-UHFFFAOYSA-N 0 188.23 AE 2.297 0 Mild ref AEEARN CCCC(=O)Nc1ccc(C#N)cc1 Cc1ccc([C@H](O)c2cccnc2)o1 ZINC000000045880 84/28/66/168842866 IAJIUQPRKJRSLJ-LLVKDONJSA-N 0 189.214 AE 2.065 0 Anodyne ref AEAARN Cc1ccc([C@H](O)c2cccnc2)o1 Cc1ccc([C@@H](O)c2cccnc2)o1 ZINC000000045881 92/49/17/342924917 IAJIUQPRKJRSLJ-NSHDSACASA-N 0 189.214 AE 2.065 0 Anodyne ref AEAARN Cc1ccc([C@@H](O)c2cccnc2)o1 O[C@@H](c1cccnc1)c1cccs1 ZINC000000045903 26/80/57/351268057 NCIAQCDWSORLTA-JTQLQIEISA-N 0 191.255 AE 2.225 0 Anodyne ref AEAARN O[C@@H](c1cccnc1)c1cccs1 O[C@H](c1cccnc1)c1cccs1 ZINC000000045904 26/78/70/351267870 NCIAQCDWSORLTA-SNVBAGLBSA-N 0 191.255 AE 2.225 0 Anodyne ref AEAARN O[C@H](c1cccnc1)c1cccs1 CSc1nc2c(cc1C#N)CCC2 ZINC000000046224 31/54/25/168315425 DCFRJBBKRAWXFX-UHFFFAOYSA-N 0 190.271 AE 2.164 0 Mild ref AEEARN CSc1nc2c(cc1C#N)CCC2 Cc1cc(C)c2c(N)csc2n1 ZINC000000046454 92/50/31/342925031 DTHKQKHZXPCLSG-UHFFFAOYSA-N 0 178.26 AE 2.495 0 Anodyne ref AEAARN Cc1cc(C)c2c(N)csc2n1 Cc1cc(Br)ccc1O ZINC000000054688 92/48/89/342924889 IWJGMJHAIUBWKT-UHFFFAOYSA-N 0 187.036 AE 2.463 0 Anodyne ref AEAARN Cc1cc(Br)ccc1O O=C(O)CCCc1ccccc1 ZINC000000056568 33/73/62/169337362 OBKXEAXTFZPCHS-UHFFFAOYSA-N -1 164.204 AE 2.094 0 Anodyne ref AEAARM O=C([O-])CCCc1ccccc1 fda endogenous Cc1cc(C(=O)O)c2ccccc2n1 ZINC000000062063 92/55/94/342925594 UIDHNPTVQFNWOJ-UHFFFAOYSA-N -1 187.198 AE 2.241 0 Anodyne ref AEAARM Cc1cc(C(=O)[O-])c2ccccc2n1 CN(C)Cc1c[nH]c2ccccc12 ZINC000000073686 92/58/02/342925802 OCDGBSUVYYVKQZ-UHFFFAOYSA-N 0 174.247 AE 2.229 3 Anodyne high AEAAHN CN(C)Cc1c[nH]c2ccccc12 in-man endogenous CN(C)Cc1c[nH]c2ccccc12 ZINC000000073686 92/57/99/342925799 OCDGBSUVYYVKQZ-UHFFFAOYSA-N 1 174.247 AE 2.229 0 Anodyne ref AEAARO C[NH+](C)Cc1c[nH]c2ccccc12 in-man endogenous O=C(O)/C=C/c1ccccc1Cl ZINC000000080793 33/42/87/169334287 KJRRTHHNKJBVBO-AATRIKPKSA-N -1 182.606 AE 2.438 0 Anodyne ref AEAARM O=C([O-])/C=C/c1ccccc1Cl O=C(O)/C=C/c1ccc(Cl)cc1 ZINC000000080865 33/43/37/169334337 GXLIFJYFGMHYDY-ZZXKWVIFSA-N -1 182.606 AE 2.438 0 Anodyne ref AEAARM O=C([O-])/C=C/c1ccc(Cl)cc1 in-vitro biogenic Nc1ccc(OC(F)(F)F)cc1 ZINC000000081472 29/30/37/169293037 XUJFOSLZQITUOI-UHFFFAOYSA-N 0 177.125 AE 2.167 0 Clean ref AECARN Nc1ccc(OC(F)(F)F)cc1 CCOC(=O)c1cc2ccccc2[nH]1 ZINC000000083820 36/79/67/167367967 QQXQAEWRSVZPJM-UHFFFAOYSA-N 0 189.214 AE 2.345 0 Anodyne ref AEAARN CCOC(=O)c1cc2ccccc2[nH]1 CCOc1ccc(/C=C/C(=O)O)cc1 ZINC000000087946 26/92/31/351269231 DZLOUWYGNATKKZ-VMPITWQZSA-N -1 192.214 AE 2.183 0 Anodyne ref AEAARM CCOc1ccc(/C=C/C(=O)[O-])cc1 CC(=O)Nc1ccc(C)c(C)c1 ZINC000000090475 28/41/37/166284137 UAOIEEWQVAXCFY-UHFFFAOYSA-N 0 163.22 AE 2.262 0 Anodyne ref AEAARN CC(=O)Nc1ccc(C)c(C)c1 Cc1cc(C)n(-c2ccc(N)cc2)n1 ZINC000000109965 74/69/99/168746999 BKLODFMZXGBJAE-UHFFFAOYSA-N 0 187.246 AE 2.071 0 Clean ref AECARN Cc1cc(C)n(-c2ccc(N)cc2)n1 N#Cc1nccc2ccccc12 ZINC000000112431 92/69/03/342926903 HJHXYSBRTVFEDD-UHFFFAOYSA-N 0 154.172 AE 2.106 0 Mild ref AEEARN N#Cc1nccc2ccccc12 CCN(CC)C(=O)c1ccc(C)cc1 ZINC000000114637 16/27/34/167162734 PUZORFQMRDHKBT-UHFFFAOYSA-N 0 191.274 AE 2.477 0 Anodyne ref AEAARN CCN(CC)C(=O)c1ccc(C)cc1 CCCC(=O)Nc1ccc(N)cc1 ZINC000000123129 92/71/63/342927163 LFXCELCZRVHGIJ-UHFFFAOYSA-N 0 178.235 AE 2.007 0 Clean ref AECARN CCCC(=O)Nc1ccc(N)cc1 CCCC(=O)Nc1cccc(N)c1 ZINC000000123132 83/23/31/166832331 DRXFARCOYOPZDW-UHFFFAOYSA-N 0 178.235 AE 2.007 0 Anodyne ref AEAARN CCCC(=O)Nc1cccc(N)c1 N#Cc1c(N)sc2c1CCCC2 ZINC000000126979 92/73/52/342927352 ADHVMGAFAKSNOM-UHFFFAOYSA-N 0 178.26 AE 2.081 0 Mild ref AEEARN N#Cc1c(N)sc2c1CCCC2 O=C(O)c1ccc(-c2ccccc2)[nH]1 ZINC000000135489 35/74/03/169357403 YEQVNAGNEONSTR-UHFFFAOYSA-N -1 187.198 AE 2.38 0 Anodyne ref AEAARM O=C([O-])c1ccc(-c2ccccc2)[nH]1 CC(C)Oc1cccc(C(=O)O)c1 ZINC000000141647 56/15/05/166561505 QPVBLLQBUNVSJT-UHFFFAOYSA-N -1 180.203 AE 2.172 0 Anodyne ref AEAARM CC(C)Oc1cccc(C(=O)[O-])c1 Cc1[nH]c2ccc(CN)cc2c1C ZINC000000142398 69/90/45/168699045 FHUICSFKWZVPSM-UHFFFAOYSA-N 1 174.247 AE 2.243 0 Anodyne ref AEAARO Cc1[nH]c2ccc(C[NH3+])cc2c1C in-vitro biogenic O=C(NCc1ccccc1)C1CCC1 ZINC000000142560 33/01/06/169330106 KSNJUDOCSDKLCE-UHFFFAOYSA-N 0 189.258 AE 2.103 0 Anodyne ref AEAARN O=C(NCc1ccccc1)C1CCC1 C[C@H]1CCc2c(sc(N)c2C#N)C1 ZINC000000143543 62/63/86/168626386 VDMBPDMXBJUYMB-LURJTMIESA-N 0 192.287 AE 2.327 0 Mild ref AEEARN C[C@H]1CCc2c(sc(N)c2C#N)C1 C[C@@H]1CCc2c(sc(N)c2C#N)C1 ZINC000000143545 44/45/83/168444583 VDMBPDMXBJUYMB-ZCFIWIBFSA-N 0 192.287 AE 2.327 0 Mild ref AEEARN C[C@@H]1CCc2c(sc(N)c2C#N)C1 COc1cc(Cl)c(C)cc1N ZINC000000145438 23/40/67/168234067 XBAPOWUMJRIKAV-UHFFFAOYSA-N 0 171.627 AE 2.239 0 Anodyne ref AEAARN COc1cc(Cl)c(C)cc1N Cc1ccc(/C=C/C(=O)O)cc1 ZINC000000145556 92/81/53/342928153 RURHILYUWQEGOS-VOTSOKGWSA-N -1 162.188 AE 2.093 0 Anodyne ref AEAARM Cc1ccc(/C=C/C(=O)[O-])cc1 Nc1nnc(C2CCCCC2)s1 ZINC000000147182 31/13/88/169311388 BLBDGPFJLDEFFL-UHFFFAOYSA-N 0 183.28 AE 2.168 0 Anodyne ref AEAARN Nc1nnc(C2CCCCC2)s1 COc1ccc(C(F)(F)F)cc1N ZINC000000152670 24/62/81/168246281 RKUSRLUGUVDNKP-UHFFFAOYSA-N 0 191.152 AE 2.296 0 Anodyne ref AEAARN COc1ccc(C(F)(F)F)cc1N Nc1ccc(F)cc1Cl ZINC000000152883 92/86/43/342928643 XRAKCYJTJGTSMM-UHFFFAOYSA-N 0 145.564 AE 2.061 0 Anodyne ref AEAARN Nc1ccc(F)cc1Cl Nc1ccc(Br)cc1F ZINC000000152960 28/99/50/169289950 GZRMNMGWNKSANY-UHFFFAOYSA-N 0 190.015 AE 2.17 0 Anodyne ref AEAARN Nc1ccc(Br)cc1F O=C(O)c1cccc(Cl)c1 ZINC000000156863 35/88/07/169358807 LULAYUGMBFYYEX-UHFFFAOYSA-N -1 156.568 AE 2.038 0 Anodyne ref AEAARM O=C([O-])c1cccc(Cl)c1 in-man endogenous O=C(O)c1ccc(Cl)cc1 ZINC000000156865 35/72/93/169357293 XRHGYUZYPHTUJZ-UHFFFAOYSA-N -1 156.568 AE 2.038 0 Anodyne ref AEAARM O=C([O-])c1ccc(Cl)cc1 in-vivo N#CCc1ccc(Cl)cc1 ZINC000000157142 10/47/50/169104750 IVYMIRMKXZAHRV-UHFFFAOYSA-N 0 151.596 AE 2.406 0 Mild ref AEEARN N#CCc1ccc(Cl)cc1 in-vitro O=Cc1c(O)ccc2ccccc12 ZINC000000157162 27/16/68/351271668 NTCCNERMXRIPTR-UHFFFAOYSA-N -1 172.183 AE 2.358 3 Anodyne high AEAAHM O=Cc1c([O-])ccc2ccccc12 in-vitro O=Cc1c(O)ccc2ccccc12 ZINC000000157162 27/16/64/351271664 NTCCNERMXRIPTR-UHFFFAOYSA-N 0 172.183 AE 2.358 0 Anodyne ref AEAARN O=Cc1c(O)ccc2ccccc12 in-vitro O=Cc1ccccc1Br ZINC000000157164 99/20/74/170992074 NDOPHXWIAZIXPR-UHFFFAOYSA-N 0 185.02 AE 2.262 0 Anodyne ref AEAARN O=Cc1ccccc1Br N#Cc1ccc(Cl)cc1 ZINC000000157255 12/17/62/169121762 GJNGXPDXRVXSEH-UHFFFAOYSA-N 0 137.569 AE 2.212 0 Mild ref AEEARN N#Cc1ccc(Cl)cc1 CC(=O)c1ccc(F)cc1 ZINC000000157311 32/57/85/166325785 ZDPAWHACYDRYIW-UHFFFAOYSA-N 0 138.141 AE 2.028 0 Anodyne ref AEAARN CC(=O)c1ccc(F)cc1 CC(=O)c1ccccc1F ZINC000000157320 33/01/87/166330187 QMATYTFXDIWACW-UHFFFAOYSA-N 0 138.141 AE 2.028 0 Anodyne ref AEAARN CC(=O)c1ccccc1F Cc1ccc(C)c(C(=O)O)c1 ZINC000000157322 92/93/53/342929353 XZRHNAFEYMSXRG-UHFFFAOYSA-N -1 150.177 AE 2.002 0 Anodyne ref AEAARM Cc1ccc(C)c(C(=O)[O-])c1 in-vitro COc1ccc(C(C)=O)cc1F ZINC000000157335 24/60/84/168246084 LQASUDVYVOFKNK-UHFFFAOYSA-N 0 168.167 AE 2.037 0 Anodyne ref AEAARN COc1ccc(C(C)=O)cc1F NCc1ccc(Cl)cc1Cl ZINC000000157574 22/21/43/169222143 SJUKJZSTBBSGHF-UHFFFAOYSA-N 0 176.046 AE 2.452 3 Anodyne high AEAAHN NCc1ccc(Cl)cc1Cl NCc1ccc(Cl)cc1Cl ZINC000000157574 22/21/41/169222141 SJUKJZSTBBSGHF-UHFFFAOYSA-N 1 176.046 AE 2.452 0 Anodyne ref AEAARO [NH3+]Cc1ccc(Cl)cc1Cl Cc1cc(Cl)ccc1N ZINC000000157577 92/93/56/342929356 CXNVOWPRHWWCQR-UHFFFAOYSA-N 0 141.601 AE 2.231 0 Anodyne ref AEAARN Cc1cc(Cl)ccc1N in-vitro Cc1c(N)cccc1Cl ZINC000000157621 92/93/73/342929373 ZUVPLKVDZNDZCM-UHFFFAOYSA-N 0 141.601 AE 2.231 0 Anodyne ref AEAARN Cc1c(N)cccc1Cl Nc1ccc(F)c(Cl)c1 ZINC000000157622 92/92/62/342929262 YSEMCVGMNUUNRK-UHFFFAOYSA-N 0 145.564 AE 2.061 0 Anodyne ref AEAARN Nc1ccc(F)c(Cl)c1 CCCc1ccc(C(=O)O)cc1 ZINC000000157748 10/40/40/167104040 ATZHGRNFEFVDDJ-UHFFFAOYSA-N -1 164.204 AE 2.337 0 Anodyne ref AEAARM CCCc1ccc(C(=O)[O-])cc1 O=Cc1nc2ccccc2s1 ZINC000000158622 27/15/62/351271562 RHKPJTFLRQNNGJ-UHFFFAOYSA-N 0 163.201 AE 2.109 0 Anodyne ref AEAARN O=Cc1nc2ccccc2s1 O=C(O)c1cncc(-c2ccccc2)c1 ZINC000000159004 36/04/35/169360435 VKFXHYRIHRTEIV-UHFFFAOYSA-N -1 199.209 AE 2.447 0 Anodyne ref AEAARM O=C([O-])c1cncc(-c2ccccc2)c1 in-vitro NCc1ccc2sccc2c1 ZINC000000159027 22/42/59/169224259 QUXRGPGYJFNJAG-UHFFFAOYSA-N 1 163.245 AE 2.36 0 Anodyne ref AEAARO [NH3+]Cc1ccc2sccc2c1 CC(C)Oc1ccc(C=O)cc1 ZINC000000162811 93/00/59/342930059 WDANSDASCKBVKH-UHFFFAOYSA-N 0 164.204 AE 2.286 0 Anodyne ref AEAARN CC(C)Oc1ccc(C=O)cc1 Fc1ccc(S)c(F)c1 ZINC000000163161 08/39/58/169083958 BICHBFCGCJNCAT-UHFFFAOYSA-N -1 146.161 AE 2.253 0 Anodyne ref AEAARM Fc1ccc([S-])c(F)c1 COc1cccc(Br)c1 ZINC000000164414 26/84/69/168268469 PLDWAJLZAAHOGG-UHFFFAOYSA-N 0 187.036 AE 2.458 0 Anodyne ref AEAARN COc1cccc(Br)c1 in-vitro Nc1ccc(C(F)(F)F)cc1 ZINC000000164442 29/18/53/169291853 ODGIMMLDVSWADK-UHFFFAOYSA-N 0 161.126 AE 2.288 0 Anodyne ref AEAARN Nc1ccc(C(F)(F)F)cc1 in-vitro COc1ccccc1Br ZINC000000164469 93/04/37/342930437 HTDQSWDEWGSAMN-UHFFFAOYSA-N 0 187.036 AE 2.458 0 Anodyne ref AEAARN COc1ccccc1Br Oc1ccc(F)c(Cl)c1 ZINC000000164535 93/04/61/342930461 ZQXLIXHVJVAPLW-UHFFFAOYSA-N -1 146.548 AE 2.185 3 Anodyne high AEAAHM [O-]c1ccc(F)c(Cl)c1 Oc1ccc(F)c(Cl)c1 ZINC000000164535 93/04/59/342930459 ZQXLIXHVJVAPLW-UHFFFAOYSA-N 0 146.548 AE 2.185 0 Anodyne ref AEAARN Oc1ccc(F)c(Cl)c1 Oc1cccc(C(F)(F)F)c1 ZINC000000164582 99/28/63/170992863 UGEJOEBBMPOJMT-UHFFFAOYSA-N 0 162.11 AE 2.411 0 Anodyne ref AEAARN Oc1cccc(C(F)(F)F)c1 N#Cc1ccccc1Br ZINC000000164585 99/29/36/170992936 AFMPMSCZPVNPEM-UHFFFAOYSA-N 0 182.02 AE 2.321 0 Mild ref AEEARN N#Cc1ccccc1Br Cc1cc([N+](=O)[O-])ccc1F ZINC000000164598 93/03/79/342930379 XUCYJGMIICONES-UHFFFAOYSA-N 0 155.128 AE 2.042 0 Bother ref AEBARN Cc1cc([N+](=O)[O-])ccc1F N#Cc1ccc(Br)cc1 ZINC000000164599 12/06/25/169120625 HQSCPPCMBMFJJN-UHFFFAOYSA-N 0 182.02 AE 2.321 0 Mild ref AEEARN N#Cc1ccc(Br)cc1 Fc1ccc(S)cc1 ZINC000000164668 08/48/05/169084805 OKIHXNKYYGUVTE-UHFFFAOYSA-N -1 128.171 AE 2.114 0 Anodyne ref AEAARM Fc1ccc([S-])cc1 Oc1ccccc1C(F)(F)F ZINC000000164884 27/22/65/351272265 ZOQOPXVJANRGJZ-UHFFFAOYSA-N -1 162.11 AE 2.411 3 Anodyne high AEAAHM [O-]c1ccccc1C(F)(F)F Oc1ccccc1C(F)(F)F ZINC000000164884 27/22/54/351272254 ZOQOPXVJANRGJZ-UHFFFAOYSA-N 0 162.11 AE 2.411 0 Anodyne ref AEAARN Oc1ccccc1C(F)(F)F COC(=O)c1ccc(Cl)cc1 ZINC000000167098 13/21/53/168132153 LXNFVVDCCWUUKC-UHFFFAOYSA-N 0 170.595 AE 2.127 0 Anodyne ref AEAARN COC(=O)c1ccc(Cl)cc1 O=C(Nc1ccccc1)C(F)(F)F ZINC000000170161 33/20/42/169332042 SAPQIENQEZURNZ-UHFFFAOYSA-N 0 189.136 AE 2.187 0 Anodyne ref AEAARN O=C(Nc1ccccc1)C(F)(F)F CC(=O)Nc1ccc(C)cc1C ZINC000000170685 28/40/90/166284090 PJEIIBXJUDOMAN-UHFFFAOYSA-N 0 163.22 AE 2.262 0 Anodyne ref AEAARN CC(=O)Nc1ccc(C)cc1C COc1nnc(Cl)c2ccccc12 ZINC000000180204 29/01/48/168290148 GWYZIDACSVOFQB-UHFFFAOYSA-N 0 194.621 AE 2.292 0 Anodyne ref AEAARN COc1nnc(Cl)c2ccccc12 CC(C)COC(=O)c1ccc(O)cc1 ZINC000000225900 27/43/99/351274399 XPJVKCRENWUEJH-UHFFFAOYSA-N -1 194.23 AE 2.205 3 Anodyne high AEAAHM CC(C)COC(=O)c1ccc([O-])cc1 in-vitro CC(C)COC(=O)c1ccc(O)cc1 ZINC000000225900 27/43/92/351274392 XPJVKCRENWUEJH-UHFFFAOYSA-N 0 194.23 AE 2.205 0 Anodyne ref AEAARN CC(C)COC(=O)c1ccc(O)cc1 in-vitro CC(=O)Nc1ccc(OC(C)C)cc1 ZINC000000229912 28/43/65/166284365 QCSNJTIWCIMFFY-UHFFFAOYSA-N 0 193.246 AE 2.432 0 Anodyne ref AEAARN CC(=O)Nc1ccc(OC(C)C)cc1 CN(C)c1ccc(/C=C/[N+](=O)[O-])cc1 ZINC000000259983 85/48/08/167854808 RIXCESCQOUSSJX-BQYQJAHWSA-N 0 192.218 AE 2.0 0 Clean ref AECARN CN(C)c1ccc(/C=C/[N+](=O)[O-])cc1 CC1(C)C[C@@H](O)c2ccccc2O1 ZINC000000260336 93/24/03/342932403 COJJXYXOKBNPCL-SECBINFHSA-N 0 178.231 AE 2.281 0 Anodyne ref AEAARN CC1(C)C[C@@H](O)c2ccccc2O1 CC1(C)C[C@H](O)c2ccccc2O1 ZINC000000260340 69/01/42/166690142 COJJXYXOKBNPCL-VIFPVBQESA-N 0 178.231 AE 2.281 0 Anodyne ref AEAARN CC1(C)C[C@H](O)c2ccccc2O1 CC(C)COc1ccc(C(=O)O)cc1 ZINC000000280951 27/43/33/351274333 WTIHDAFXKHTFEG-UHFFFAOYSA-N -1 194.23 AE 2.42 0 Anodyne ref AEAARM CC(C)COc1ccc(C(=O)[O-])cc1 O=C(O)c1ccccc1Cl ZINC000000330133 93/32/42/342933242 IKCLCGXPQILATA-UHFFFAOYSA-N -1 156.568 AE 2.038 0 Anodyne ref AEAARM O=C([O-])c1ccccc1Cl in-vitro Cc1cc(C)cc(C(=O)O)c1 ZINC000000330139 93/33/36/342933336 UMVOQQDNEYOJOK-UHFFFAOYSA-N -1 150.177 AE 2.002 0 Anodyne ref AEAARM Cc1cc(C)cc(C(=O)[O-])c1 in-vitro CCC(=O)c1ccc(OC)cc1 ZINC000000330146 77/55/28/166775528 ZJVAWPKTWVFKHG-UHFFFAOYSA-N 0 164.204 AE 2.288 0 Anodyne ref AEAARN CCC(=O)c1ccc(OC)cc1 in-vitro O=[N+]([O-])c1ccccc1Cl ZINC000000331636 41/44/66/169414466 BFCFYVKQTRLZHA-UHFFFAOYSA-N 0 157.556 AE 2.248 0 Bother ref AEBARN O=[N+]([O-])c1ccccc1Cl in-vitro O=[N+]([O-])c1cccc2ncccc12 ZINC000000331720 27/51/69/351275169 NDDZXHOCOKCNBM-UHFFFAOYSA-N 0 174.159 AE 2.143 0 Bother ref AEBARN O=[N+]([O-])c1cccc2ncccc12 in-vitro O=[N+]([O-])c1ccc2ncccc2c1 ZINC000000331721 93/35/06/342933506 SMHPLBXIVNQFBA-UHFFFAOYSA-N 0 174.159 AE 2.143 0 Bother ref AEBARN O=[N+]([O-])c1ccc2ncccc2c1 c1ccc(-c2ncc[nH]2)cc1 ZINC000000333848 27/54/43/351275443 ZCUJYXPAKHMBAZ-UHFFFAOYSA-N 1 144.177 AE 2.077 2 Anodyne low AEAALO c1ccc(-c2[nH]cc[nH+]2)cc1 in-vitro