Cc1cc(O)cc(C)c1Cl ZINC000000001132 92/38/29/342923829 OSDLLIBGSJNGJE-UHFFFAOYSA-N 0 156.612 AF 2.662 0 Anodyne ref AFAARN Cc1cc(O)cc(C)c1Cl in-man Brc1ccc2cc[nH]c2c1 ZINC000000039643 00/98/60/166009860 MAWGHOPSCKCTPA-UHFFFAOYSA-N 0 196.047 AF 2.93 0 Anodyne ref AFAARN Brc1ccc2cc[nH]c2c1 in-vitro Brc1cccc2[nH]ccc12 ZINC000000039644 01/03/69/166010369 GRJZJFUBQYULKL-UHFFFAOYSA-N 0 196.047 AF 2.93 0 Anodyne ref AFAARN Brc1cccc2[nH]ccc12 in-vitro O=C(O)c1cc2ccccc2s1 ZINC000000042511 35/75/64/169357564 DYSJMQABFPKAQM-UHFFFAOYSA-N -1 178.212 AF 2.6 0 Anodyne ref AFAARM O=C([O-])c1cc2ccccc2s1 Clc1ccnc2ccccc12 ZINC000000052598 02/68/31/169026831 KNDOFJFSHZCKGT-UHFFFAOYSA-N 0 163.607 AF 2.888 0 Anodyne ref AFAARN Clc1ccnc2ccccc12 Cn1c2c(c3ccccc31)C(=O)CCC2 ZINC000000052623 03/55/31/169035531 HHJUJCWZKJMCLC-UHFFFAOYSA-N 0 199.253 AF 2.697 0 Anodyne ref AFAARN Cn1c2c(c3ccccc31)C(=O)CCC2 CCc1cccc(C)c1NC(C)=O ZINC000000060679 92/53/26/342925326 OEYCXAGQPZAQQE-UHFFFAOYSA-N 0 177.247 AF 2.516 0 Anodyne ref AFAARN CCc1cccc(C)c1NC(C)=O Clc1ccc2ncccc2c1 ZINC000000066127 02/30/11/169023011 GKJSZXGYFJBYRQ-UHFFFAOYSA-N 0 163.607 AF 2.888 0 Anodyne ref AFAARN Clc1ccc2ncccc2c1 CC(=O)c1ccc(Br)cc1 ZINC000000080820 32/18/17/166321817 WYECURVXVYPVAT-UHFFFAOYSA-N 0 199.047 AF 2.652 0 Anodyne ref AFAARN CC(=O)c1ccc(Br)cc1 in-vitro Brc1ccc2[nH]ccc2c1 ZINC000000081120 92/58/42/342925842 VXWVFZFZYXOBTA-UHFFFAOYSA-N 0 196.047 AF 2.93 0 Anodyne ref AFAARN Brc1ccc2[nH]ccc2c1 in-vitro Cc1cc(Cl)nc(Cl)c1C#N ZINC000000081496 76/09/71/168760971 LSPMHHJCDSFAAY-UHFFFAOYSA-N 0 187.029 AF 2.569 0 Mild ref AFEARN Cc1cc(Cl)nc(Cl)c1C#N O=C(O)c1cccc2ccccc12 ZINC000000084134 21/48/64/171214864 LNETULKMXZVUST-UHFFFAOYSA-N -1 172.183 AF 2.538 0 Anodyne ref AFAARM O=C([O-])c1cccc2ccccc12 in-vitro O=C(O)CC12CC3CC(CC(C3)C1)C2 ZINC000000107420 99/16/09/170991609 AOTQGWFNFTVXNQ-UHFFFAOYSA-N -1 194.274 AF 2.678 0 Anodyne ref AFAARM O=C([O-])CC12CC3CC(CC(C3)C1)C2 Nc1cccc(OCc2ccccc2)c1 ZINC000000119243 29/68/55/169296855 IGPFOKFDBICQMC-UHFFFAOYSA-N 0 199.253 AF 2.848 0 Anodyne ref AFAARN Nc1cccc(OCc2ccccc2)c1 O=C(Nc1ccccc1)c1ccccc1 ZINC000000142820 33/22/08/169332208 ZVSKZLHKADLHSD-UHFFFAOYSA-N 0 197.237 AF 2.939 0 Anodyne ref AFAARN O=C(Nc1ccccc1)c1ccccc1 O=Cc1c(Cl)cccc1Cl ZINC000000148002 27/09/68/351270968 DMIYKWPEFRFTPY-UHFFFAOYSA-N 0 175.014 AF 2.806 0 Anodyne ref AFAARN O=Cc1c(Cl)cccc1Cl in-vitro CC(C)c1ccc(C(=O)O)cc1 ZINC000000151915 92/81/10/342928110 CKMXAIVXVKGGFM-UHFFFAOYSA-N -1 164.204 AF 2.508 0 Anodyne ref AFAARM CC(C)c1ccc(C(=O)[O-])cc1 in-man endogenous Clc1nc2ccccc2s1 ZINC000000152274 92/80/97/342928097 BSQLQMLFTHJVKS-UHFFFAOYSA-N 0 169.636 AF 2.95 0 Anodyne ref AFAARN Clc1nc2ccccc2s1 FC(F)(F)c1cccc(Cl)n1 ZINC000000153257 07/23/70/169072370 ADVQMCQMDHBTHJ-UHFFFAOYSA-N 0 181.544 AF 2.754 0 Anodyne ref AFAARN FC(F)(F)c1cccc(Cl)n1 Cc1c(N)cccc1C(F)(F)F ZINC000000153952 92/86/73/342928673 TWLDBACVSHADLI-UHFFFAOYSA-N 0 175.153 AF 2.596 0 Anodyne ref AFAARN Cc1c(N)cccc1C(F)(F)F N#CCc1ccccc1Br ZINC000000157212 10/34/44/169103444 BVCOJESIQPNOIF-UHFFFAOYSA-N 0 196.047 AF 2.515 0 Mild ref AFEARN N#CCc1ccccc1Br Nc1ccc(Cl)c(Cl)c1 ZINC000000157572 92/92/56/342929256 SDYWXFYBZPNOFX-UHFFFAOYSA-N 0 162.019 AF 2.576 0 Anodyne ref AFAARN Nc1ccc(Cl)c(Cl)c1 in-vitro O=C(O)c1csc2ccccc12 ZINC000000158707 36/05/55/169360555 DRBLTQNCQJXSNU-UHFFFAOYSA-N -1 178.212 AF 2.6 0 Anodyne ref AFAARM O=C([O-])c1csc2ccccc12 N#Cc1cc(Cl)cc(Cl)c1 ZINC000000159427 11/64/86/169116486 PUJSUOGJGIECFQ-UHFFFAOYSA-N 0 172.014 AF 2.865 0 Mild ref AFEARN N#Cc1cc(Cl)cc(Cl)c1 N#CCc1ccc(Cl)cc1F ZINC000000161645 10/40/81/169104081 RTQOANCZEAIDEZ-UHFFFAOYSA-N 0 169.586 AF 2.545 0 Mild ref AFEARN N#CCc1ccc(Cl)cc1F c1cnc2c(c1)ccc1cccnc12 ZINC000000164363 93/05/69/342930569 DGEZNRSVGBDHLK-UHFFFAOYSA-N 0 180.21 AF 2.783 0 Bother ref AFBARN c1cnc2c(c1)ccc1cccnc12 metabolite in-vivo N#Cc1ccc(C(F)(F)F)cc1 ZINC000000164419 11/98/97/169119897 DRNJIKRLQJRKMM-UHFFFAOYSA-N 0 171.121 AF 2.577 0 Mild ref AFEARN N#Cc1ccc(C(F)(F)F)cc1 Cc1cc(Br)ccc1F ZINC000000164691 93/03/49/342930349 VXKYOKPNAXNAFU-UHFFFAOYSA-N 0 189.027 AF 2.897 0 Anodyne ref AFAARN Cc1cc(Br)ccc1F Fc1ccc(N=C=S)c(F)c1 ZINC000000164717 17/75/45/560177545 ABGGPKIFVAIRGU-UHFFFAOYSA-N 0 171.171 AF 2.699 0 Reactive ref AFGARN Fc1ccc(N=C=S)c(F)c1 in-vitro Fc1ccc(Br)cc1F ZINC000000164754 93/03/52/342930352 YMQPKONILWWJQG-UHFFFAOYSA-N 0 192.99 AF 2.727 0 Anodyne ref AFAARN Fc1ccc(Br)cc1F Oc1c(Cl)cccc1Cl ZINC000000164836 93/04/68/342930468 HOLHYSJJBXSLMV-UHFFFAOYSA-N 0 163.003 AF 2.699 2 Anodyne low AFAALN Oc1c(Cl)cccc1Cl in-vitro Oc1c(Cl)cccc1Cl ZINC000000164836 93/04/65/342930465 HOLHYSJJBXSLMV-UHFFFAOYSA-N -1 163.003 AF 2.699 0 Anodyne ref AFAARM [O-]c1c(Cl)cccc1Cl in-vitro N#CCc1ccc(Br)cc1 ZINC000000164864 10/29/75/169102975 MFHFWRBXPQDZSA-UHFFFAOYSA-N 0 196.047 AF 2.515 0 Mild ref AFEARN N#CCc1ccc(Br)cc1 in-vitro O=Cc1ccccc1C(F)(F)F ZINC000000164879 93/05/68/342930568 ZDVRPKUWYQVVDX-UHFFFAOYSA-N 0 174.121 AF 2.518 0 Anodyne ref AFAARN O=Cc1ccccc1C(F)(F)F CC(=O)c1cccc(Br)c1 ZINC000000167233 32/84/52/166328452 JYAQYXOVOHJRCS-UHFFFAOYSA-N 0 199.047 AF 2.652 0 Anodyne ref AFAARN CC(=O)c1cccc(Br)c1 c1ccc(-c2nc3ccccc3[nH]2)nc1 ZINC000000225950 27/45/83/351274583 YNFBMDWHEHETJW-UHFFFAOYSA-N 0 195.225 AF 2.625 0 Anodyne ref AFAARN c1ccc(-c2nc3ccccc3[nH]2)nc1 in-vivo Nc1ccc(-c2ccc(N)cc2)cc1 ZINC000000265747 29/05/81/169290581 HFACYLZERDEVSX-UHFFFAOYSA-N 0 184.242 AF 2.518 0 Anodyne ref AFAARN Nc1ccc(-c2ccc(N)cc2)cc1 in-man biogenic Oc1ccc(Cl)cc1Cl ZINC000000388057 93/57/21/342935721 HFZWRUODUSTPEG-UHFFFAOYSA-N -1 163.003 AF 2.699 1 Anodyne mid AFAAMM [O-]c1ccc(Cl)cc1Cl in-man endogenous Oc1ccc(Cl)cc1Cl ZINC000000388057 93/57/19/342935719 HFZWRUODUSTPEG-UHFFFAOYSA-N 0 163.003 AF 2.699 0 Anodyne ref AFAARN Oc1ccc(Cl)cc1Cl in-man endogenous Clc1cccc(Cl)c1 ZINC000000388095 02/57/46/169025746 ZPQOPVIELGIULI-UHFFFAOYSA-N 0 147.004 AF 2.993 0 Anodyne ref AFAARN Clc1cccc(Cl)c1 in-man CC(C)(C)c1ccc(C(=O)O)cc1 ZINC000000388305 38/46/51/166384651 KDVYCTOWXSLNNI-UHFFFAOYSA-N -1 178.231 AF 2.682 0 Anodyne ref AFAARM CC(C)(C)c1ccc(C(=O)[O-])cc1 in-vitro CC(C)(C)C(=O)CC(=O)C(C)(C)C ZINC000000388352 93/56/02/342935602 YRAJNWYBUCUFBD-UHFFFAOYSA-N 0 184.279 AF 2.607 0 Anodyne ref AFAARN CC(C)(C)C(=O)C=C(O)C(C)(C)C Clc1nccc2ccccc12 ZINC000000388359 02/84/76/169028476 MSQCQINLJMEVNJ-UHFFFAOYSA-N 0 163.607 AF 2.888 0 Anodyne ref AFAARN Clc1nccc2ccccc12 Oc1ccc(Cl)c(Cl)c1 ZINC000000388513 93/60/12/342936012 WDNBURPWRNALGP-UHFFFAOYSA-N -1 163.003 AF 2.699 3 Anodyne high AFAAHM [O-]c1ccc(Cl)c(Cl)c1 in-vitro Oc1ccc(Cl)c(Cl)c1 ZINC000000388513 93/60/11/342936011 WDNBURPWRNALGP-UHFFFAOYSA-N 0 163.003 AF 2.699 0 Anodyne ref AFAARN Oc1ccc(Cl)c(Cl)c1 in-vitro O=C(c1ccccc1)c1ccc(O)cc1 ZINC000000388760 36/36/83/169363683 NPFYZDNDJHZQKY-UHFFFAOYSA-N -1 198.221 AF 2.623 1 Anodyne mid AFAAMM O=C(c1ccccc1)c1ccc([O-])cc1 in-vitro O=C(c1ccccc1)c1ccc(O)cc1 ZINC000000388760 36/36/82/169363682 NPFYZDNDJHZQKY-UHFFFAOYSA-N 0 198.221 AF 2.623 0 Anodyne ref AFAARN O=C(c1ccccc1)c1ccc(O)cc1 in-vitro Cc1ccc(Br)cc1F ZINC000000389649 93/60/66/342936066 YZFVUQSAJMLFOZ-UHFFFAOYSA-N 0 189.027 AF 2.897 0 Anodyne ref AFAARN Cc1ccc(Br)cc1F O=C(O)c1ccc2ccccc2c1 ZINC000000391805 93/67/34/342936734 UOBYKYZJUGYBDK-UHFFFAOYSA-N -1 172.183 AF 2.538 0 Anodyne ref AFAARM O=C([O-])c1ccc2ccccc2c1 in-vitro COc1cccc2cccc(OC)c12 ZINC000000392751 27/61/81/168276181 QRPDMEIIZPOYED-UHFFFAOYSA-N 0 188.226 AF 2.857 0 Anodyne ref AFAARN COc1cccc2cccc(OC)c12 Cc1cc2cc(F)ccc2[nH]1 ZINC000000403325 93/86/89/342938689 JJIUISYYTFDATN-UHFFFAOYSA-N 0 149.168 AF 2.615 0 Anodyne ref AFAARN Cc1cc2cc(F)ccc2[nH]1 Sc1cccc(Br)c1 ZINC000000404764 93/85/29/342938529 HNGQQUDFJDROPY-UHFFFAOYSA-N -1 189.077 AF 2.738 0 Anodyne ref AFAARM [S-]c1cccc(Br)c1 Cc1ccc(Cl)c(N)c1Cl ZINC000000407039 93/88/85/342938885 AYVZXDFCFQSWJD-UHFFFAOYSA-N 0 176.046 AF 2.884 0 Anodyne ref AFAARN Cc1ccc(Cl)c(N)c1Cl in-vitro Clc1cccc2[nH]ccc12 ZINC000000407089 02/52/64/169025264 SVLZRCRXNHITBY-UHFFFAOYSA-N 0 151.596 AF 2.821 0 Anodyne ref AFAARN Clc1cccc2[nH]ccc12 in-vitro CCC(=O)c1cccc(Cl)c1 ZINC000000407109 93/89/16/342938916 PQWGFUFROKIJBO-UHFFFAOYSA-N 0 168.623 AF 2.933 0 Anodyne ref AFAARN CCC(=O)c1cccc(Cl)c1 in-vitro N#CCc1cccc(Br)c1 ZINC000000409179 10/42/97/169104297 UUZYFBXKWIQKTF-UHFFFAOYSA-N 0 196.047 AF 2.515 0 Mild ref AFEARN N#CCc1cccc(Br)c1 CCc1cc(O)ccc1Cl ZINC000000409248 93/91/68/342939168 DVKVZPIRWWREJC-UHFFFAOYSA-N 0 156.612 AF 2.608 0 Anodyne ref AFAARN CCc1cc(O)ccc1Cl CC(=O)OC(C)(C)Cc1ccccc1 ZINC000000410076 93/97/46/342939746 FLUWAIIVLCVEKF-UHFFFAOYSA-N 0 192.258 AF 2.571 0 Anodyne ref AFAARN CC(=O)OC(C)(C)Cc1ccccc1 in-man endogenous CC(=O)c1ccccc1Br ZINC000000572837 32/93/53/166329353 PIMNFNXBTGPCIL-UHFFFAOYSA-N 0 199.047 AF 2.652 0 Anodyne ref AFAARN CC(=O)c1ccccc1Br CC(=O)c1ccc(Cl)cc1 ZINC000000896324 32/50/89/166325089 BUZYGTVTZYSBCU-UHFFFAOYSA-N 0 154.596 AF 2.543 0 Anodyne ref AFAARN CC(=O)c1ccc(Cl)cc1 in-vitro N#CCc1ccc2ccccc2c1 ZINC000000967334 10/41/79/169104179 LPCWDVLDJVZIHA-UHFFFAOYSA-N 0 167.211 AF 2.906 0 Mild ref AFEARN N#CCc1ccc2ccccc2c1 CC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000000967580 94/22/72/342942272 GRWFGVWFFZKLTI-IUCAKERBSA-N 0 136.238 AF 2.999 0 Anodyne ref AFAARN CC1=CC[C@H]2C[C@@H]1C2(C)C in-man endogenous Oc1ccc2ccccc2c1 ZINC000000967928 28/31/49/351283149 JWAZRIHNYRIHIV-UHFFFAOYSA-N 0 144.173 AF 2.545 0 Anodyne ref AFAARN Oc1ccc2ccccc2c1 world endogenous c1cc2c3c(cccc3c1)CC2 ZINC000001235986 28/44/91/351284491 CWRYPZZKDGJXCA-UHFFFAOYSA-N 0 154.212 AF 2.938 0 Anodyne ref AFAARN c1cc2c3c(cccc3c1)CC2 in-vitro biogenic O=Cc1ccc(-c2ccccn2)cc1 ZINC000001437366 28/48/65/351284865 NMLYGLCBSFKJFI-UHFFFAOYSA-N 0 183.21 AF 2.561 0 Anodyne ref AFAARN O=Cc1ccc(-c2ccccn2)cc1 in-vitro C=C[C@@](C)(O)CCC=C(C)C ZINC000001529819 20/76/40/171207640 CDOSHBSSFJOMGT-SNVBAGLBSA-N 0 154.253 AF 2.67 0 Mild ref AFEARN C=C[C@@](C)(O)CCC=C(C)C in-man endogenous C=C[C@](C)(O)CCC=C(C)C ZINC000001529820 22/19/66/166221966 CDOSHBSSFJOMGT-JTQLQIEISA-N 0 154.253 AF 2.67 0 Mild ref AFEARN C=C[C@](C)(O)CCC=C(C)C in-man endogenous C=C1CC[C@H]2C[C@@H]1C2(C)C ZINC000001530385 14/66/36/166146636 WTARULDDTDQWMU-IUCAKERBSA-N 0 136.238 AF 2.999 0 Mild ref AFEARN C=C1CC[C@H]2C[C@@H]1C2(C)C in-man endogenous Cc1cc2ccccc2cn1 ZINC000001555546 94/70/34/342947034 FVVXWRGARUACNW-UHFFFAOYSA-N 1 143.189 AF 2.543 2 Anodyne low AFAALO Cc1cc2ccccc2c[nH+]1 Cc1cc2ccccc2cn1 ZINC000001555546 94/70/33/342947033 FVVXWRGARUACNW-UHFFFAOYSA-N 0 143.189 AF 2.543 0 Anodyne ref AFAARN Cc1cc2ccccc2cn1 NC(c1ccccc1)c1ccccc1 ZINC000001561887 16/81/49/169168149 MGHPNCMVUAKAIE-UHFFFAOYSA-N 0 183.254 AF 2.735 3 Anodyne high AFAAHN NC(c1ccccc1)c1ccccc1 in-vitro NC(c1ccccc1)c1ccccc1 ZINC000001561887 16/81/47/169168147 MGHPNCMVUAKAIE-UHFFFAOYSA-N 1 183.254 AF 2.735 2 Anodyne low AFAALO [NH3+]C(c1ccccc1)c1ccccc1 in-vitro Cc1cccc([N+](=O)[O-])c1Cl ZINC000001562148 87/60/78/168876078 XTSGZXRUCAWXKY-UHFFFAOYSA-N 0 171.583 AF 2.557 0 Bother ref AFBARN Cc1cccc([N+](=O)[O-])c1Cl BrCc1ccccc1 ZINC000001586370 18/27/19/560182719 AGEZXYOZHKGVCM-UHFFFAOYSA-N 0 171.037 AF 2.582 0 Reactive ref AFGARN BrCc1ccccc1 in-vitro CC(=O)c1ccccc1Cl ZINC000001598575 33/08/43/166330843 ZDOYHCIRUPHUHN-UHFFFAOYSA-N 0 154.596 AF 2.543 0 Anodyne ref AFAARN CC(=O)c1ccccc1Cl in-vitro CCn1ccc2ccccc21 ZINC000001603991 80/55/17/167805517 QRRKZFCXXBFHSV-UHFFFAOYSA-N 0 145.205 AF 2.661 0 Anodyne ref AFABRN CCn1ccc2ccccc21 Cc1ccc(C)c(C)c1C ZINC000001609579 80/34/51/168803451 UOHMMEJUHBCKEE-UHFFFAOYSA-N 0 134.222 AF 2.92 0 Anodyne ref AFAARN Cc1ccc(C)c(C)c1C in-man Brc1ccsc1 ZINC000001626895 01/03/20/166010320 XCMISAPCWHTVNG-UHFFFAOYSA-N 0 163.039 AF 2.511 0 Anodyne ref AFAARN Brc1ccsc1 O=Cc1ccc2ccccc2c1 ZINC000001644079 29/13/45/351291345 PJKVFARRVXDXAD-UHFFFAOYSA-N 0 156.184 AF 2.652 0 Anodyne ref AFAARN O=Cc1ccc2ccccc2c1 in-man metabolite O=C1CCC(c2ccccc2)CC1 ZINC000001646477 36/98/88/169369888 YKAYMASDSHFOGI-UHFFFAOYSA-N 0 174.243 AF 2.913 0 Anodyne ref AFAARN O=C1CCC(c2ccccc2)CC1 CCOC(=O)C(C)(C)c1ccccc1 ZINC000001651925 32/42/79/167324279 OFYSAFPKXXTYLU-UHFFFAOYSA-N 0 192.258 AF 2.527 0 Anodyne ref AFAARN CCOC(=O)C(C)(C)c1ccccc1 in-vitro Cc1nccc2ccccc12 ZINC000001667772 95/55/78/342955578 PBYMYAJONQZORL-UHFFFAOYSA-N 1 143.189 AF 2.543 2 Anodyne low AFAALO Cc1[nH+]ccc2ccccc12 in-vitro Cc1nccc2ccccc12 ZINC000001667772 95/55/77/342955577 PBYMYAJONQZORL-UHFFFAOYSA-N 0 143.189 AF 2.543 0 Anodyne ref AFAARN Cc1nccc2ccccc12 in-vitro Brc1cccs1 ZINC000001673392 00/91/52/166009152 TUCRZHGAIRVWTI-UHFFFAOYSA-N 0 163.039 AF 2.511 0 Anodyne ref AFAARN Brc1cccs1 in-vitro Clc1nc(Cl)c2ccccc2n1 ZINC000001674123 99/98/55/170999855 TUQSVSYUEBNNKQ-UHFFFAOYSA-N 0 199.04 AF 2.937 0 Anodyne ref AFAARN Clc1nc(Cl)c2ccccc2n1 OCCc1ccc(Cl)c(Cl)c1 ZINC000001685926 43/04/73/169430473 GITOMJDYNUMCOV-UHFFFAOYSA-N 0 191.057 AF 2.528 0 Anodyne ref AFAARN OCCc1ccc(Cl)c(Cl)c1 OCCCCCCCCCl ZINC000001686987 18/38/40/560183840 YDFAJMDFCCJZSI-UHFFFAOYSA-N 0 164.676 AF 2.558 0 Reactive ref AFGARN OCCCCCCCCCl in-vitro C1=CCCC=CCC1 ZINC000001690028 07/60/42/166076042 VYXHVRARDIDEHS-UHFFFAOYSA-N 0 108.184 AF 2.673 0 Anodyne ref AFAARN C1=CCCC=CCC1 CC(C)C(=O)c1ccccc1 ZINC000001693601 29/48/98/351294898 BSMGLVDZZMBWQB-UHFFFAOYSA-N 0 148.205 AF 2.525 0 Anodyne ref AFAARN CC(C)C(=O)c1ccccc1 in-vitro biogenic CCc1cc(C)cc(CC)c1N ZINC000001737441 96/35/72/342963572 OIXUMNZGNCAOKY-UHFFFAOYSA-N 0 163.264 AF 2.702 0 Anodyne ref AFAARN CCc1cc(C)cc(CC)c1N Nc1cccc(-c2ccccc2)c1 ZINC000001746590 29/53/40/169295340 MUNOBADFTHUUFG-UHFFFAOYSA-N 0 169.227 AF 2.936 0 Anodyne ref AFAARN Nc1cccc(-c2ccccc2)c1 in-vitro N#CCc1ccc(C(F)(F)F)cc1 ZINC000001841309 10/30/88/169103088 QNKOCFJZJWOXDE-UHFFFAOYSA-N 0 185.148 AF 2.771 0 Mild ref AFEARN N#CCc1ccc(C(F)(F)F)cc1 CC(C)(C)c1ccc(C=O)cc1 ZINC000001845477 38/32/25/166383225 OTXINXDGSUFPNU-UHFFFAOYSA-N 0 162.232 AF 2.797 0 Anodyne ref AFAARN CC(C)(C)c1ccc(C=O)cc1 Nc1ccc(C(F)(F)F)c(Cl)c1 ZINC000001847412 29/13/40/169291340 KZAMRRANXJVDCD-UHFFFAOYSA-N 0 195.571 AF 2.941 0 Anodyne ref AFAARN Nc1ccc(C(F)(F)F)c(Cl)c1 Fc1ccc(OC(F)(F)F)cc1 ZINC000001847536 08/26/01/169082601 JULMJGDXANEQDP-UHFFFAOYSA-N 0 180.1 AF 2.724 0 Anodyne ref AFAARN Fc1ccc(OC(F)(F)F)cc1 CC(C)(C)c1cccc(O)c1 ZINC000002012740 38/60/43/166386043 CYEKUDPFXBLGHH-UHFFFAOYSA-N 0 150.221 AF 2.69 0 Anodyne ref AFAARN CC(C)(C)c1cccc(O)c1 in-vitro Cc1cc2ccccc2o1 ZINC000002013344 96/64/57/342966457 GBGPVUAOTCNZPT-UHFFFAOYSA-N 0 132.162 AF 2.741 0 Anodyne ref AFAARN Cc1cc2ccccc2o1 in-man CC(C)Nc1ccccc1 ZINC000002031136 96/75/38/342967538 FRCFWPVMFJMNDP-UHFFFAOYSA-N 0 135.21 AF 2.507 0 Anodyne ref AFAARN CC(C)Nc1ccccc1 Oc1nc(Cl)c(Cl)cc1Cl ZINC000002033904 00/42/04/171004204 WCYYAQFQZQEUEN-UHFFFAOYSA-N 0 198.436 AF 2.747 2 Anodyne low AFAALN O=c1[nH]c(Cl)c(Cl)cc1Cl in-man endogenous Oc1nc(Cl)c(Cl)cc1Cl ZINC000002033904 00/42/01/171004201 WCYYAQFQZQEUEN-UHFFFAOYSA-N -1 198.436 AF 2.747 0 Anodyne ref AFAARM O=c1[n-]c(Cl)c(Cl)cc1Cl in-man endogenous