CC(C)C[C@H](CN)CC(=O)O ZINC000000005152 49/41/58/166494158 AYXYPKUFHZROOJ-ZETCQYMHSA-N 0 159.229 AD 1.082 0 Anodyne ref ADAARN CC(C)C[C@H](C[NH3+])CC(=O)[O-] fda N#Cc1ncc(Br)cn1 ZINC000000053986 92/49/15/342924915 VPQICCOHFSGBMA-UHFFFAOYSA-N 0 183.996 AD 1.111 0 Mild ref ADEARN N#Cc1ncc(Br)cn1 CC(=O)c1ccc2[nH]c(=O)sc2c1 ZINC000000058191 32/55/48/166325548 UFRAIEFXNRTICG-UHFFFAOYSA-N 0 193.227 AD 1.792 0 Anodyne ref ADAARN CC(=O)c1ccc2[nH]c(=O)sc2c1 Nc1cnccc1C(F)(F)F ZINC000000077224 30/23/51/169302351 DROFUWWORPKKSI-UHFFFAOYSA-N 0 162.114 AD 1.683 0 Anodyne ref ADAARN Nc1cnccc1C(F)(F)F O=C(O)c1cnccc1C(F)(F)F ZINC000000077309 36/02/89/169360289 LMRJHNFECNKDKH-UHFFFAOYSA-N -1 191.108 AD 1.799 0 Anodyne ref ADAARM O=C([O-])c1cnccc1C(F)(F)F O=C1CCc2cc(F)ccc21 ZINC000000079808 37/73/57/169377357 WVPPBVAMKNQXJA-UHFFFAOYSA-N 0 150.152 AD 1.955 0 Anodyne ref ADAARN O=C1CCc2cc(F)ccc21 O=C1CCCN(Cc2ccccc2)C1 ZINC000000119573 37/13/01/169371301 BBQQULRBTOMLTC-UHFFFAOYSA-N 1 189.258 AD 1.852 2 Anodyne low ADAALO O=C1CCC[N@@H+](Cc2ccccc2)C1 O=C1CCCN(Cc2ccccc2)C1 ZINC000000119573 37/12/99/169371299 BBQQULRBTOMLTC-UHFFFAOYSA-N 1 189.258 AD 1.852 2 Anodyne low ADAALO O=C1CCC[N@H+](Cc2ccccc2)C1 O=C1CCCN(Cc2ccccc2)C1 ZINC000000119573 37/12/98/169371298 BBQQULRBTOMLTC-UHFFFAOYSA-N 1 189.258 AD 1.852 0 Anodyne ref ADAARO O=C1CCCN(Cc2ccccc2)C1 CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000148003 32/85/65/166328565 ARKIFHPFTHVKDT-UHFFFAOYSA-N 0 165.148 AD 1.797 0 Bother ref ADBARN CC(=O)c1cccc([N+](=O)[O-])c1 Cc1cccc(N)c1N ZINC000000153100 92/86/55/342928655 AXNUJYHFQHQZBE-UHFFFAOYSA-N 0 122.171 AD 1.159 0 Anodyne ref ADAARN Cc1cccc(N)c1N in-vitro OCc1ccc(C(F)(F)F)nc1 ZINC000000154408 27/18/13/351271813 CBSXUFWMVOAHTK-UHFFFAOYSA-N 0 177.125 AD 1.593 0 Anodyne ref ADAARN OCc1ccc(C(F)(F)F)nc1 COc1ccc(C=O)cc1OC ZINC000000155456 24/86/89/168248689 WJUFSDZVCOTFON-UHFFFAOYSA-N 0 166.176 AD 1.516 0 Anodyne ref ADAARN COc1ccc(C=O)cc1OC in-man endogenous CC(C)(C)C(=O)CC#N ZINC000000159361 92/97/98/342929798 MXZMACXOMZKYHJ-UHFFFAOYSA-N 0 125.171 AD 1.515 0 Mild ref ADEARN CC(C)(C)C(=O)CC#N N#Cc1cnccc1C(F)(F)F ZINC000000163228 13/01/38/169130138 DHIRCRHQLUNYDS-UHFFFAOYSA-N 0 172.109 AD 1.972 0 Mild ref ADEARN N#Cc1cnccc1C(F)(F)F COc1cc(N)cc(OC)c1 ZINC000000164493 23/73/97/168237397 WNRGWPVJGDABME-UHFFFAOYSA-N 0 153.181 AD 1.286 0 Anodyne ref ADAARN COc1cc(N)cc(OC)c1 COc1ccc(C=O)cc1O ZINC000000164617 24/96/02/168249602 JVTZFYYHCGSXJV-UHFFFAOYSA-N 0 152.149 AD 1.213 0 Anodyne ref ADAARN COc1ccc(C=O)cc1O in-vitro biogenic Cc1ccc(C#N)c(Cl)n1 ZINC000000166495 93/07/22/342930722 YSBNBAYNISAUIT-UHFFFAOYSA-N 0 152.584 AD 1.915 0 Mild ref ADEARN Cc1ccc(C#N)c(Cl)n1 Cc1nc(Cl)ccc1[N+](=O)[O-] ZINC000000330879 93/31/64/342933164 GHSRMSJVYMITDX-UHFFFAOYSA-N 0 172.571 AD 1.952 0 Bother ref ADBARN Cc1nc(Cl)ccc1[N+](=O)[O-] Cc1ccc([N+](=O)[O-])c(C)n1 ZINC000000331012 84/52/67/168845267 AETHUDGJSSKZKT-UHFFFAOYSA-N 0 152.153 AD 1.607 0 Bother ref ADBARN Cc1ccc([N+](=O)[O-])c(C)n1 Nc1cncc(Br)c1 ZINC000000331807 30/26/90/169302690 MDQXGHBCDCOOSM-UHFFFAOYSA-N 0 173.013 AD 1.426 0 Anodyne ref ADAARN Nc1cncc(Br)c1 Nc1ccc2ncsc2c1 ZINC000000332484 29/53/72/169295372 FAYAYUOZWYJNBD-UHFFFAOYSA-N 0 150.206 AD 1.879 0 Anodyne ref ADAARN Nc1ccc2ncsc2c1 N#Cc1ncc(Cl)cn1 ZINC000000336445 99/40/07/170994007 XCZYVEHAGNDPGY-UHFFFAOYSA-N 0 139.545 AD 1.002 0 Mild ref ADEARN N#Cc1ncc(Cl)cn1 Fc1cncc(Br)c1 ZINC000000336455 08/95/80/169089580 HNNNBQRRIHKFLI-UHFFFAOYSA-N 0 175.988 AD 1.983 0 Anodyne ref ADAARN Fc1cncc(Br)c1 COc1ccc2c(c1)CCC2=O ZINC000000391180 26/18/44/168261844 QOPRWBRNMPANKN-UHFFFAOYSA-N 0 162.188 AD 1.824 0 Anodyne ref ADAARN COc1ccc2c(c1)CCC2=O Nc1ccc(O)cc1Cl ZINC000000395500 29/32/82/169293282 PNLPXABQLXSICH-UHFFFAOYSA-N 0 143.573 AD 1.628 0 Anodyne ref ADAARN Nc1ccc(O)cc1Cl O=C(O)COCc1ccccc1 ZINC000000396091 34/22/74/169342274 GRZHHTYDZVRPIC-UHFFFAOYSA-N -1 166.176 AD 1.288 0 Anodyne ref ADAARM O=C([O-])COCc1ccccc1 Fc1ccc(Br)cn1 ZINC000000403389 93/85/84/342938584 MYUQKYGWKHTRPG-UHFFFAOYSA-N 0 175.988 AD 1.983 0 Anodyne ref ADAARN Fc1ccc(Br)cn1 Oc1ccc(Br)c(O)c1 ZINC000000404317 93/84/69/342938469 MPCCNXGZCOXPMG-UHFFFAOYSA-N -1 189.008 AD 1.86 3 Anodyne high ADAAHM [O-]c1cc(O)ccc1Br in-vitro Oc1ccc(Br)c(O)c1 ZINC000000404317 93/84/67/342938467 MPCCNXGZCOXPMG-UHFFFAOYSA-N 0 189.008 AD 1.86 0 Anodyne ref ADAARN Oc1ccc(Br)c(O)c1 in-vitro Cn1c(=O)oc2ccccc21 ZINC000000407636 03/06/09/169030609 QRMRRLXXFHXMBC-UHFFFAOYSA-N 0 149.149 AD 1.131 0 Anodyne ref ADAARN Cn1c(=O)oc2ccccc21 Brc1cncnc1 ZINC000000967317 00/97/72/166009772 GYCPLYCTMDTEPU-UHFFFAOYSA-N 0 158.986 AD 1.239 0 Anodyne ref ADAARN Brc1cncnc1 in-vitro O=C(O)c1cc(Cl)nnc1Cl ZINC000000967407 35/67/24/169356724 FRCXPDWDMAYSCE-UHFFFAOYSA-N -1 192.989 AD 1.482 0 Anodyne ref ADAARM O=C([O-])c1cc(Cl)nnc1Cl CC(=O)c1cccc(C(C)=O)n1 ZINC000001081261 32/65/32/166326532 BEZVGIHGZPLGBL-UHFFFAOYSA-N 0 163.176 AD 1.487 0 Anodyne ref ADAARN CC(=O)c1cccc(C(C)=O)n1 c1ccc2c(c1)CCNCC2 ZINC000001274519 28/41/84/351284184 MWVMYAWMFTVYED-UHFFFAOYSA-N 1 147.221 AD 1.375 0 Anodyne ref ADAARO c1ccc2c(c1)CC[NH2+]CC2 Cc1cc(C)nc(Cl)n1 ZINC000001529072 94/61/90/342946190 RZVPFDOTMFYQHR-UHFFFAOYSA-N 0 142.589 AD 1.747 0 Anodyne ref ADAARN Cc1cc(C)nc(Cl)n1 Clc1ncc(Br)cn1 ZINC000001529074 02/82/69/169028269 XPGIBDJXEVAVTO-UHFFFAOYSA-N 0 193.431 AD 1.892 0 Anodyne ref ADAARN Clc1ncc(Br)cn1 in-vitro Oc1ccc(C(F)(F)F)nc1 ZINC000001529156 94/61/82/342946182 VFOBDHYPESAMAF-UHFFFAOYSA-N -1 163.098 AD 1.806 3 Anodyne high ADAAHM [O-]c1ccc(C(F)(F)F)nc1 Oc1ccc(C(F)(F)F)nc1 ZINC000001529156 94/61/81/342946181 VFOBDHYPESAMAF-UHFFFAOYSA-N -1 163.098 AD 1.806 0 Anodyne ref ADAARM Oc1ccc(C(F)(F)F)nc1 Brc1ncccn1 ZINC000001569572 01/05/10/166010510 PGFIHORVILKHIA-UHFFFAOYSA-N 0 158.986 AD 1.239 0 Anodyne ref ADAARN Brc1ncccn1 Nc1c(Cl)ncnc1Cl ZINC000001581331 28/26/19/169282619 NIGDWBHWHVHOAD-UHFFFAOYSA-N 0 163.995 AD 1.366 0 Anodyne ref ADAARN Nc1c(Cl)ncnc1Cl in-vitro CC(C)(C)C#N ZINC000001587676 59/54/52/325595452 JAMNHZBIQDNHMM-UHFFFAOYSA-N 0 83.134 AD 1.556 0 Mild ref ADEARN CC(C)(C)C#N in-vitro O=C1Nc2c(Cl)cccc2C1=O ZINC000001593654 38/93/00/169389300 MPLXQMMMGDYXIT-UHFFFAOYSA-N -1 181.578 AD 1.475 3 Anodyne high ADAAHM O=C1[N-]c2c(Cl)cccc2C1=O in-vivo O=C1Nc2c(Cl)cccc2C1=O ZINC000001593654 38/92/98/169389298 MPLXQMMMGDYXIT-UHFFFAOYSA-N 0 181.578 AD 1.475 0 Anodyne ref ADAARN O=C1Nc2c(Cl)cccc2C1=O in-vivo Clc1ncccn1 ZINC000001676249 02/74/24/169027424 UNCQVRBWJWWJBF-UHFFFAOYSA-N 0 114.535 AD 1.13 0 Anodyne ref ADAARN Clc1ncccn1 Fc1cccnc1 ZINC000001680674 08/97/78/169089778 CELKOWQJPVJKIL-UHFFFAOYSA-N 0 97.092 AD 1.221 0 Anodyne ref ADAARN Fc1cccnc1 COP(=O)(OC)OC ZINC000001689472 20/33/28/168203328 WVLBCYQITXONBZ-UHFFFAOYSA-N 0 140.075 AD 1.034 0 Anodyne ref ADAARN COP(=O)(OC)OC in-vitro CCOC(=O)CC(=O)OC(C)(C)C ZINC000001695425 32/72/41/167327241 OCOBFMZGRJOSOU-UHFFFAOYSA-N 0 188.223 AD 1.281 0 Anodyne ref ADAARN CCOC(=O)CC(=O)OC(C)(C)C CCOC(=O)C(F)(F)F ZINC000001755719 32/31/56/167323156 STSCVKRWJPWALQ-UHFFFAOYSA-N 0 142.076 AD 1.112 0 Anodyne ref ADAARN CCOC(=O)C(F)(F)F Nc1nc2ccc(C(=O)O)cc2s1 ZINC000001848490 47/02/86/583470286 ZEAKWWWXCZMODH-UHFFFAOYSA-N -1 194.215 AD 1.577 0 Anodyne ref ADAARM Nc1nc2ccc(C(=O)[O-])cc2s1 O=[N+]([O-])c1ccccc1CCO ZINC000002018917 41/42/60/169414260 SLRIOXRBAPBGEI-UHFFFAOYSA-N 0 167.164 AD 1.13 0 Bother ref ADBARN O=[N+]([O-])c1ccccc1CCO COc1cnc(Cl)nc1Cl ZINC000002028830 28/18/55/168281855 ZTHHRSBDBPCCMZ-UHFFFAOYSA-N 0 179.006 AD 1.792 0 Anodyne ref ADAARN COc1cnc(Cl)nc1Cl in-vitro c1cnc2cc[nH]c2c1 ZINC000002040899 00/41/03/171004103 XWIYUCRMWCHYJR-UHFFFAOYSA-N 0 118.139 AD 1.563 0 Anodyne ref ADAARN c1cnc2cc[nH]c2c1 in-vitro c1cc2cc[nH]c2cn1 ZINC000002040902 30/29/32/351302932 XLKDJOPOOHHZAN-UHFFFAOYSA-N 0 118.139 AD 1.563 0 Anodyne ref ADAARN c1cc2cc[nH]c2cn1 O=C1Nc2cc(F)c(F)cc2C1=O ZINC000002308583 38/92/12/169389212 FQIJOGDQWRLSQW-UHFFFAOYSA-N -1 183.113 AD 1.1 3 Anodyne high ADAAHM O=C1[N-]c2cc(F)c(F)cc2C1=O O=C1Nc2cc(F)c(F)cc2C1=O ZINC000002308583 38/92/10/169389210 FQIJOGDQWRLSQW-UHFFFAOYSA-N 0 183.113 AD 1.1 0 Anodyne ref ADAARN O=C1Nc2cc(F)c(F)cc2C1=O COc1nc(C)nc(Cl)c1N ZINC000002385174 28/24/85/168282485 XOPAFBPYRUSQNI-UHFFFAOYSA-N 0 173.603 AD 1.029 0 Anodyne ref ADAARN COc1nc(C)nc(Cl)c1N Cn1cc(C(=O)O)c(C(F)(F)F)n1 ZINC000002388286 03/67/62/169036762 FZNKJQNEJGXCJH-UHFFFAOYSA-N -1 194.112 AD 1.137 0 Anodyne ref ADAARM Cn1cc(C(=O)[O-])c(C(F)(F)F)n1 Cc1cc(C)on1 ZINC000002504362 74/88/25/168748825 FICAQKBMCKEFDI-UHFFFAOYSA-N 0 97.117 AD 1.291 0 Anodyne ref ADAARN Cc1cc(C)on1 CC(=O)c1ccc(F)cc1O ZINC000002512486 32/51/91/166325191 HLTBTUXAMVOKIH-UHFFFAOYSA-N -1 154.14 AD 1.734 3 Anodyne high ADAAHM CC(=O)c1ccc(F)cc1[O-] CC(=O)c1ccc(F)cc1O ZINC000002512486 32/51/89/166325189 HLTBTUXAMVOKIH-UHFFFAOYSA-N 0 154.14 AD 1.734 0 Anodyne ref ADAARN CC(=O)c1ccc(F)cc1O C#Cc1cc(OC)cc(OC)c1 ZINC000002513045 04/06/88/166040688 HUSBBWQIJMRKLI-UHFFFAOYSA-N 0 162.188 AD 1.685 0 Mild ref ADEARN C#Cc1cc(OC)cc(OC)c1 CC(C)c1cc(Cl)nc(N)n1 ZINC000002513194 97/39/55/342973955 SPMMDFHRMVXLLO-UHFFFAOYSA-N 0 171.631 AD 1.836 0 Anodyne ref ADAARN CC(C)c1cc(Cl)nc(N)n1 N=C(N)c1ccc2cc(O)ccc2c1 ZINC000002516802 14/14/86/169141486 ULKSSXOMKDEKPC-UHFFFAOYSA-N 1 186.214 AD 1.829 0 Anodyne ref ADAARO NC(=[NH2+])c1ccc2cc(O)ccc2c1 in-vitro Cn1cc(N)c(C(F)(F)F)n1 ZINC000002537831 03/98/06/169039806 OHASPUNAEXVWEP-UHFFFAOYSA-N 0 165.118 AD 1.021 0 Anodyne ref ADAARN Cn1cc(N)c(C(F)(F)F)n1 in-vitro N#Cc1cc(F)c(F)nc1F ZINC000002540462 11/67/03/169116703 SSRFMDDZODUAJG-UHFFFAOYSA-N 0 158.082 AD 1.371 0 Mild ref ADEARN N#Cc1cc(F)c(F)nc1F in-vitro COc1ncc(Br)cn1 ZINC000002540622 28/59/66/168285966 DWVCZDMMGYIULX-UHFFFAOYSA-N 0 189.012 AD 1.248 0 Anodyne ref ADAARN COc1ncc(Br)cn1 Brc1cnc2[nH]ncc2c1 ZINC000002547938 01/04/40/166010440 BASYLPMLKGQZOG-UHFFFAOYSA-N 0 198.023 AD 1.72 0 Anodyne ref ADAARN Brc1cnc2n[nH]cc2c1 Nc1ccc2c(c1)OC(F)(F)O2 ZINC000002556425 29/47/81/169294781 CVYQRDKVWVBOFP-UHFFFAOYSA-N 0 173.118 AD 1.59 0 Anodyne ref ADAARN Nc1ccc2c(c1)OC(F)(F)O2 O=C1Cc2ccc(F)cc2N1 ZINC000002558587 38/36/65/169383665 PKQNTFAOZIVXCE-UHFFFAOYSA-N 0 151.14 AD 1.32 0 Anodyne ref ADAARN O=C1Cc2ccc(F)cc2N1 Fc1ccc(Br)nc1 ZINC000002559898 00/72/71/171007271 UODINHBLNPPDPD-UHFFFAOYSA-N 0 175.988 AD 1.983 0 Anodyne ref ADAARN Fc1ccc(Br)nc1 Cc1cc(Cl)nc(C)n1 ZINC000002559906 76/15/26/168761526 GSXFOGXQLRLSKK-UHFFFAOYSA-N 0 142.589 AD 1.747 0 Anodyne ref ADAARN Cc1cc(Cl)nc(C)n1 COc1cc(OC)nc(Cl)n1 ZINC000002564876 23/91/21/168239121 PBEKEFWBLFBSGQ-UHFFFAOYSA-N 0 174.587 AD 1.147 0 Anodyne ref ADAARN COc1cc(OC)nc(Cl)n1 Oc1cncc(Br)c1 ZINC000002566952 31/20/83/351312083 VNYBIBSZZDAEOK-UHFFFAOYSA-N -1 173.997 AD 1.55 3 Anodyne high ADAAHM [O-]c1cncc(Br)c1 in-vitro Oc1cncc(Br)c1 ZINC000002566952 31/20/76/351312076 VNYBIBSZZDAEOK-UHFFFAOYSA-N 0 173.997 AD 1.55 0 Anodyne ref ADAARN Oc1cncc(Br)c1 in-vitro O=C1Cc2cc(F)c(F)cc2N1 ZINC000002572576 38/41/43/169384143 MSOLDJZABLHVER-UHFFFAOYSA-N 0 169.13 AD 1.459 0 Anodyne ref ADAARN O=C1Cc2cc(F)c(F)cc2N1 FC(F)(F)c1ccnc(S)n1 ZINC000002573087 07/28/60/169072860 HDGJASCXBNRLGA-UHFFFAOYSA-N -1 180.154 AD 1.784 3 Anodyne high ADAAHM FC(F)(F)c1ccnc(=S)[n-]1 FC(F)(F)c1ccnc(S)n1 ZINC000002573087 07/28/57/169072857 HDGJASCXBNRLGA-UHFFFAOYSA-N 0 180.154 AD 1.784 0 Anodyne ref ADAARN FC(F)(F)c1ccnc(=S)[nH]1 O=C1Cc2cccc(F)c2N1 ZINC000002577877 38/38/85/169383885 VMUIOEOYZHJLEZ-UHFFFAOYSA-N 0 151.14 AD 1.32 0 Anodyne ref ADAARN O=C1Cc2cccc(F)c2N1 COc1nc(Cl)cc(Cl)n1 ZINC000002585932 28/39/67/168283967 WDELVDLDINRUQF-UHFFFAOYSA-N 0 179.006 AD 1.792 0 Anodyne ref ADAARN COc1nc(Cl)cc(Cl)n1 in-vitro O=Cc1ccc2c(c1)OCCO2 ZINC000003882306 32/27/96/351322796 CWKXDPPQCVWXAG-UHFFFAOYSA-N 0 164.16 AD 1.27 0 Anodyne ref ADAARN O=Cc1ccc2c(c1)OCCO2 Fc1ncc(Br)cn1 ZINC000004198784 09/04/30/169090430 CTWZYPZCDJKBRS-UHFFFAOYSA-N 0 176.976 AD 1.378 0 Anodyne ref ADAARN Fc1ncc(Br)cn1 CC(C)(C)OC(=O)N1CCC(=O)C1 ZINC000004202590 36/83/64/166368364 JSOMVCDXPUXKIC-UHFFFAOYSA-N 0 185.223 AD 1.196 0 Anodyne ref ADAARN CC(C)(C)OC(=O)N1CCC(=O)C1 in-vitro FC(F)(F)c1cc[nH]n1 ZINC000004243565 07/25/10/169072510 PYXNITNKYBLBMW-UHFFFAOYSA-N 0 136.076 AD 1.428 0 Anodyne ref ADAARN FC(F)(F)c1cc[nH]n1 O=C1Cc2cccc(Cl)c2N1 ZINC000004369030 38/41/17/169384117 FPDLUAACCNVSQA-UHFFFAOYSA-N 0 167.595 AD 1.835 0 Anodyne ref ADAARN O=C1Cc2cccc(Cl)c2N1 O=C(O)Cc1cc2ccccc2[nH]1 ZINC000005518118 01/73/51/171017351 QOPBEBWGSGFROG-UHFFFAOYSA-N -1 175.187 AD 1.795 0 Anodyne ref ADAARM O=C([O-])Cc1cc2ccccc2[nH]1 metabolite in-vivo Cn1cc(Br)cn1 ZINC000006072394 03/71/64/169037164 IXJSDKIJPVSPKF-UHFFFAOYSA-N 0 161.002 AD 1.183 0 Anodyne ref ADAARN Cn1cc(Br)cn1 Brc1c[nH]cn1 ZINC000008294972 02/10/47/171021047 FHZALEJIENDROK-UHFFFAOYSA-N 0 146.975 AD 1.172 0 Anodyne ref ADAARN Brc1c[nH]cn1 in-vitro O=C(O)c1cc(O)nc2ccccc12 ZINC000008579968 35/65/91/169356591 MFSHNFBQNVGXJX-UHFFFAOYSA-N -1 189.17 AD 1.639 0 Anodyne ref ADAARM O=C([O-])c1cc(=O)[nH]c2ccccc12 in-vitro biogenic O=C(O)c1cnc2ccccc2c1O ZINC000008602789 35/93/13/169359313 ILNJBIQQAIIMEY-UHFFFAOYSA-N -1 189.17 AD 1.639 1 Anodyne mid ADAAMM O=C(O)c1c[n-]c2ccccc2c1=O O=C(O)c1cnc2ccccc2c1O ZINC000008602789 35/93/11/169359311 ILNJBIQQAIIMEY-UHFFFAOYSA-N -1 189.17 AD 1.639 1 Anodyne mid ADAAMM O=C([O-])c1c[nH]c2ccccc2c1=O O=C(O)c1cnc2ccccc2c1O ZINC000008602789 35/93/08/169359308 ILNJBIQQAIIMEY-UHFFFAOYSA-N -1 189.17 AD 1.639 0 Anodyne ref ADAARM O=C([O-])c1cnc2ccccc2c1O COc1ccnc2[nH]ccc12 ZINC000008700358 27/94/93/168279493 DNIKOOPKCLWWPO-UHFFFAOYSA-N 0 148.165 AD 1.571 0 Anodyne ref ADAARN COc1ccnc2[nH]ccc12 O=C(O)c1ccc2nc(O)sc2c1 ZINC000008729883 02/24/38/171022438 USZSGINUZRHINQ-UHFFFAOYSA-N -1 195.199 AD 1.7 0 Anodyne ref ADAARM O=C([O-])c1ccc2[nH]c(=O)sc2c1 COc1ccc(CCCCN)cc1 ZINC000011596948 24/85/58/168248558 USDPTYHOEKPQAN-UHFFFAOYSA-N 1 179.263 AD 1.977 0 Anodyne ref ADAARO COc1ccc(CCCC[NH3+])cc1 O=C1CCC(F)(F)CC1 ZINC000012359140 36/96/41/169369641 NYYSPVRERVXMLJ-UHFFFAOYSA-N 0 134.125 AD 1.765 0 Anodyne ref ADAARN O=C1CCC(F)(F)CC1 CC(C)(C)OC(=O)N1CC(C#N)C1 ZINC000012359520 36/94/68/166369468 WEFREESWPHICPL-UHFFFAOYSA-N 0 182.223 AD 1.377 0 Mild ref ADEARN CC(C)(C)OC(=O)N1CC(C#N)C1 COc1cccnc1Br ZINC000012371813 27/74/61/168277461 PDOWLYNSFYZIQX-UHFFFAOYSA-N 0 188.024 AD 1.853 0 Anodyne ref ADAARN COc1cccnc1Br in-vitro CC(C)(C)OC(=O)N1C[C@@H]2O[C@@H]2C1 ZINC000012505481 36/94/92/166369492 NXZIGGBPLGAPTI-KNVOCYPGSA-N 0 185.223 AD 1.004 0 Mild ref ADEARN CC(C)(C)OC(=O)N1C[C@@H]2O[C@@H]2C1 Cc1ncccc1[N+](=O)[O-] ZINC000013208028 03/37/79/343033779 CCFGTKQIRWHYTB-UHFFFAOYSA-N 0 138.126 AD 1.298 0 Bother ref ADBARN Cc1ncccc1[N+](=O)[O-]