Clc1cccc(N2CCNCC2)c1 ZINC000000004285 17/77/61/132177761 VHFVKMTVMIZMIK-UHFFFAOYSA-N 0 196.681 AD 1.75 3 Anodyne high ADAAHN Clc1cccc(N2CCNCC2)c1 world Clc1cccc(N2CCNCC2)c1 ZINC000000004285 17/77/60/132177760 VHFVKMTVMIZMIK-UHFFFAOYSA-N 0 196.681 AD 1.75 0 Anodyne ref ADAARN Clc1cccc(N2CC[NH2+]CC2)c1 world O=Cc1cccc(C=O)c1 ZINC000000005774 92/36/03/342923603 IZALUMVGBVKPJD-UHFFFAOYSA-N 0 134.134 AD 1.312 0 Anodyne ref ADAARN O=Cc1cccc(C=O)c1 Oc1cccc2cccnc12 ZINC000000008492 26/79/40/351267940 MCJGNVYPOGVAJF-UHFFFAOYSA-N 0 145.161 AD 1.94 0 Anodyne ref ADAARN Oc1cccc2cccnc12 fda metabolite Clc1ccccc1N1CCNCC1 ZINC000000015872 17/76/12/132177612 PWZDJIUQHUGFRJ-UHFFFAOYSA-N 0 196.681 AD 1.75 3 Anodyne high ADAAHN Clc1ccccc1N1CCNCC1 in-vivo Clc1ccccc1N1CCNCC1 ZINC000000015872 17/76/08/132177608 PWZDJIUQHUGFRJ-UHFFFAOYSA-N 0 196.681 AD 1.75 0 Anodyne ref ADAARN Clc1ccccc1N1CC[NH2+]CC1 in-vivo COc1ccc(/C=C/[N+](=O)[O-])cc1O ZINC000000033958 24/50/49/168245049 QGCVJPGJBCRIEV-SNAWJCMRSA-N 0 195.174 AD 1.648 0 Anodyne ref ADAARN COc1ccc(/C=C/[N+](=O)[O-])cc1O O=C(O)c1ccc2nccnc2c1 ZINC000000037412 92/46/22/342924622 JGQDBVXRYDEWGM-UHFFFAOYSA-N -1 174.159 AD 1.328 0 Anodyne ref ADAARM O=C([O-])c1ccc2nccnc2c1 in-vitro COC(=O)c1scnc1C ZINC000000039512 13/90/84/168139084 RRCLLMUIJYXSGZ-UHFFFAOYSA-N 0 157.194 AD 1.238 0 Anodyne ref ADAARN COC(=O)c1scnc1C O=C(CCl)Nc1ccccn1 ZINC000000043482 17/70/11/560177011 JJMRJPAPJCFDAM-UHFFFAOYSA-N 0 170.599 AD 1.259 0 Reactive ref ADGARN O=C(CCl)Nc1ccccn1 in-vitro CCc1ccc(OCC(=O)O)cc1 ZINC000000047638 92/49/41/342924941 WVELHLIHMYYZAT-UHFFFAOYSA-N -1 180.203 AD 1.712 0 Anodyne ref ADAARM CCc1ccc(OCC(=O)[O-])cc1 NC(=S)c1ccccc1 ZINC000000049654 16/74/80/169167480 QIOZLISABUUKJY-UHFFFAOYSA-N 0 137.207 AD 1.321 2 Anodyne low ADAALN NC(=S)c1ccccc1 in-vitro N#CC(C#N)=Cc1ccc2c(c1)OCO2 ZINC000000051261 60/06/12/263600612 AWMFEYQOEQDZKO-UHFFFAOYSA-N 0 198.181 AD 1.846 0 Reactive ref ADGARN N#CC(C#N)=Cc1ccc2c(c1)OCO2 Nc1ccc2c(c1)NC(=O)CS2 ZINC000000054573 29/42/55/169294255 OTAZYXUGSKFPHN-UHFFFAOYSA-N 0 180.232 AD 1.313 0 Anodyne ref ADAARN Nc1ccc2c(c1)NC(=O)CS2 O=Cc1ccccc1C(=O)O ZINC000000056413 92/48/49/342924849 DYNFCHNNOHNJFG-UHFFFAOYSA-N -1 150.133 AD 1.197 0 Anodyne ref ADAARM O=Cc1ccccc1C(=O)[O-] in-vitro Nc1cc2ccccc2oc1=O ZINC000000057910 28/85/70/169288570 QWZHDKGQKYEBKK-UHFFFAOYSA-N 0 161.16 AD 1.375 0 Anodyne ref ADAARN Nc1cc2ccccc2oc1=O O=C(O)Cc1ccc2c(c1)OCO2 ZINC000000058276 34/41/60/169344160 ODVLMCWNGKLROU-UHFFFAOYSA-N -1 180.159 AD 1.042 0 Anodyne ref ADAARM O=C([O-])Cc1ccc2c(c1)OCO2 in-vitro Cn1nc(C(=O)O)c2ccccc21 ZINC000000058277 06/21/51/169062151 OVVDFORZEGKEJM-UHFFFAOYSA-N -1 176.175 AD 1.272 0 Anodyne ref ADAARM Cn1nc(C(=O)[O-])c2ccccc21 in-vitro Clc1ccc(N2CCNCC2)cc1 ZINC000000066019 17/83/12/132178312 UNEIHNMKASENIG-UHFFFAOYSA-N 0 196.681 AD 1.75 3 Anodyne high ADAAHN Clc1ccc(N2CCNCC2)cc1 Clc1ccc(N2CCNCC2)cc1 ZINC000000066019 17/83/10/132178310 UNEIHNMKASENIG-UHFFFAOYSA-N 1 196.681 AD 1.75 0 Anodyne ref ADAARO Clc1ccc(N2CC[NH2+]CC2)cc1 COc1cccc(N2CCNCC2)c1 ZINC000000066034 12/56/93/537125693 PZIBVWUXWNYTNL-UHFFFAOYSA-N 0 192.262 AD 1.105 3 Anodyne high ADAAHN COc1cccc(N2CCNCC2)c1 COc1cccc(N2CCNCC2)c1 ZINC000000066034 12/56/89/537125689 PZIBVWUXWNYTNL-UHFFFAOYSA-N 1 192.262 AD 1.105 0 Anodyne ref ADAARO COc1cccc(N2CC[NH2+]CC2)c1 COc1ccc(O[C@@H](C)C(=O)O)cc1 ZINC000000073632 25/66/66/168256666 MIEKOFWWHVOKQX-ZETCQYMHSA-N -1 196.202 AD 1.547 0 Anodyne ref ADAARM COc1ccc(O[C@@H](C)C(=O)[O-])cc1 in-man endogenous COc1ccc(O[C@H](C)C(=O)O)cc1 ZINC000000073634 25/69/33/168256933 MIEKOFWWHVOKQX-SSDOTTSWSA-N -1 196.202 AD 1.547 0 Anodyne ref ADAARM COc1ccc(O[C@H](C)C(=O)[O-])cc1 in-man endogenous O=C(O)CCOc1ccccc1 ZINC000000080797 33/87/49/169338749 BUSOTUQRURCMCM-UHFFFAOYSA-N -1 166.176 AD 1.54 0 Anodyne ref ADAARM O=C([O-])CCOc1ccccc1 world C=C(C)c1ccccc(=O)c1O ZINC000000082544 13/28/87/166132887 AYEFINNLGCCCNK-UHFFFAOYSA-N 0 162.188 AD 1.785 0 Mild ref ADEARN C=C(C)c1ccccc(=O)c1O in-vitro O=C(O)c1ccc2ccccc2n1 ZINC000000084153 92/65/82/342926582 LOAUVZALPPNFOQ-UHFFFAOYSA-N -1 173.171 AD 1.933 0 Anodyne ref ADAARM O=C([O-])c1ccc2ccccc2n1 in-man endogenous O=C(O)CSc1ccccc1 ZINC000000084918 34/22/24/169342224 MOTOSAGBNXXRRE-UHFFFAOYSA-N -1 168.217 AD 1.863 0 Anodyne ref ADAARM O=C([O-])CSc1ccccc1 COC(=O)c1ccc(OC)cc1 ZINC000000087933 41/09/38/574410938 DDIZAANNODHTRB-UHFFFAOYSA-N 0 166.176 AD 1.482 0 Anodyne ref ADAARN COC(=O)c1ccc(OC)cc1 in-man endogenous CSc1ncccc1C(=O)O ZINC000000091633 31/67/08/168316708 COPSJQVPEUUOKY-UHFFFAOYSA-N -1 169.205 AD 1.502 0 Anodyne ref ADAARM CSc1ncccc1C(=O)[O-] NC(=O)Nc1ccc(Cl)cc1 ZINC000000097935 15/97/89/169159789 RECCURWJDVZHIH-UHFFFAOYSA-N 0 170.599 AD 1.831 0 Anodyne ref ADAARN NC(=O)Nc1ccc(Cl)cc1 Nc1cccc2[nH]cnc12 ZINC000000112552 29/79/78/169297978 NZJKEQFPRPAEPO-UHFFFAOYSA-N 1 133.154 AD 1.145 1 Anodyne mid ADAAMO Nc1cccc2[nH+]c[nH]c12 in-vitro Nc1cccc2[nH]cnc12 ZINC000000112552 29/79/77/169297977 NZJKEQFPRPAEPO-UHFFFAOYSA-N 0 133.154 AD 1.145 0 Anodyne ref ADAARN Nc1cccc2[nH]cnc12 in-vitro Cc1ccc(OCC(=O)O)c(C)c1 ZINC000000123148 82/97/58/168829758 XRTZHWXWLUGOAT-UHFFFAOYSA-N -1 180.203 AD 1.767 0 Anodyne ref ADAARM Cc1ccc(OCC(=O)[O-])c(C)c1 CC(=O)Nc1ccc(C#N)cc1 ZINC000000127805 21/52/25/171215225 UFKRTEWFEYWIHD-UHFFFAOYSA-N 0 160.176 AD 1.517 0 Mild ref ADEARN CC(=O)Nc1ccc(C#N)cc1 COC(=O)c1sccc1NC(C)=O ZINC000000140683 13/90/99/168139099 VVGYLIJOPUUXJN-UHFFFAOYSA-N 0 199.231 AD 1.493 0 Anodyne ref ADAARN COC(=O)c1sccc1NC(C)=O Cc1ccc(C)c(OCC(=O)O)c1 ZINC000000142182 92/82/53/342928253 RSJMMLSDGNQOEO-UHFFFAOYSA-N -1 180.203 AD 1.767 0 Anodyne ref ADAARM Cc1ccc(C)c(OCC(=O)[O-])c1 O=C(O)c1cc2ccccc2[nH]1 ZINC000000145536 35/64/20/169356420 HCUARRIEZVDMPT-UHFFFAOYSA-N -1 161.16 AD 1.866 0 Anodyne ref ADAARM O=C([O-])c1cc2ccccc2[nH]1 in-man endogenous 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 COc1ccccc1CCC(=O)O ZINC000000150231 21/52/95/171215295 XSZSNLOPIWWFHS-UHFFFAOYSA-N -1 180.203 AD 1.712 0 Anodyne ref ADAARM COc1ccccc1CCC(=O)[O-] O=[N+]([O-])c1ccnc(Cl)c1 ZINC000000151260 27/06/26/351270626 LIEPVGBDUYKPLC-UHFFFAOYSA-N 0 158.544 AD 1.643 0 Bother ref ADBARN O=[N+]([O-])c1ccnc(Cl)c1 Cc1occc1C(=O)O ZINC000000152320 01/21/07/169012107 CFGQZVOVFIZRMN-UHFFFAOYSA-N -1 126.111 AD 1.286 0 Anodyne ref ADAARM Cc1occc1C(=O)[O-] in-vitro O=C(O)/C=C/c1ccc2c(c1)OCO2 ZINC000000152476 33/46/05/169334605 QFQYZMGOKIROEC-DUXPYHPUSA-N -1 192.17 AD 1.513 0 Anodyne ref ADAARM O=C([O-])/C=C/c1ccc2c(c1)OCO2 in-vitro COc1cc(C=O)cc(OC)c1O ZINC000000152926 23/20/88/168232088 KCDXJAYRVLXPFO-UHFFFAOYSA-N 0 182.175 AD 1.222 1 Anodyne mid ADAAMN COc1cc(C=O)cc(OC)c1O in-vitro metabolite COc1cc(C=O)cc(OC)c1O ZINC000000152926 23/20/84/168232084 KCDXJAYRVLXPFO-UHFFFAOYSA-N -1 182.175 AD 1.222 0 Anodyne ref ADAARM COc1cc(C=O)cc(OC)c1[O-] in-vitro metabolite NC(=O)c1ccccc1Cl ZINC000000152952 99/19/66/170991966 RBGDLYUEXLWQBZ-UHFFFAOYSA-N 0 155.584 AD 1.439 0 Anodyne ref ADAARN NC(=O)c1ccccc1Cl Cc1ncccc1O ZINC000000153239 92/86/67/342928667 AQSRRZGQRFFFGS-UHFFFAOYSA-N 1 109.128 AD 1.096 2 Anodyne low ADAALO Cc1[nH+]cccc1O in-vitro biogenic Cc1ncccc1O ZINC000000153239 92/86/66/342928666 AQSRRZGQRFFFGS-UHFFFAOYSA-N 0 109.128 AD 1.096 0 Anodyne ref ADAARN Cc1ncccc1O in-vitro biogenic COC(=O)CSc1ccccc1 ZINC000000153310 09/53/97/168095397 MUNSXQQODXYRKI-UHFFFAOYSA-N 0 182.244 AD 1.952 0 Anodyne ref ADAARN COC(=O)CSc1ccccc1 COc1ccc(C(C)=O)cc1OC ZINC000000154459 24/62/09/168246209 IQZLUWLMQNGTIW-UHFFFAOYSA-N 0 180.203 AD 1.906 0 Anodyne ref ADAARN COc1ccc(C(C)=O)cc1OC in-vitro COC(=O)c1cc(Cl)ccc1O ZINC000000154587 12/87/86/168128786 KJWHRMZKJXOWFC-UHFFFAOYSA-N 0 186.594 AD 1.832 0 Anodyne ref ADAARN COC(=O)c1cc(Cl)ccc1O COc1cc(N)c(C#N)cc1OC ZINC000000154785 23/58/02/168235802 BJAYMNUBIULRMF-UHFFFAOYSA-N 0 178.191 AD 1.158 0 Mild ref ADEARN COc1cc(N)c(C#N)cc1OC Fc1ccccc1N1CCNCC1 ZINC000000155125 17/81/92/132178192 IVTZRJKKXSKXKO-UHFFFAOYSA-N 0 180.226 AD 1.235 3 Anodyne high ADAAHN Fc1ccccc1N1CCNCC1 in-vivo Fc1ccccc1N1CCNCC1 ZINC000000155125 17/81/81/132178181 IVTZRJKKXSKXKO-UHFFFAOYSA-N 1 180.226 AD 1.235 0 Anodyne ref ADAARO Fc1ccccc1N1CC[NH2+]CC1 in-vivo O=[N+]([O-])c1ccc2[nH]ncc2c1 ZINC000000156104 41/33/35/169413335 WSGURAYTCUVDQL-UHFFFAOYSA-N 0 163.136 AD 1.471 0 Bother ref ADBARN O=[N+]([O-])c1ccc2n[nH]cc2c1 in-vivo O=C(O)CCc1cccc(O)c1 ZINC000000156346 33/94/04/169339404 QVWAEZJXDYOKEH-UHFFFAOYSA-N -1 166.176 AD 1.409 0 Anodyne ref ADAARM O=C([O-])CCc1cccc(O)c1 in-man metabolite Cc1ccccc1NC(N)=O ZINC000000156493 99/19/81/170991981 BLSVCHHBHKGCSQ-UHFFFAOYSA-N 0 150.181 AD 1.486 0 Anodyne ref ADAARN Cc1ccccc1NC(N)=O Nc1ccc(C(=O)O)c(Cl)c1 ZINC000000156642 29/15/92/169291592 MBDUKNCPOPMRJQ-UHFFFAOYSA-N -1 171.583 AD 1.62 0 Anodyne ref ADAARM Nc1ccc(C(=O)[O-])c(Cl)c1 in-vitro COc1cc(O)c(C(C)=O)c(OC)c1 ZINC000000157077 23/76/43/168237643 FBUBVLUPUDBFME-UHFFFAOYSA-N 0 196.202 AD 1.612 0 Anodyne ref ADAARN COc1cc(O)c(C(C)=O)c(OC)c1 in-man endogenous COc1ccc(C=O)c(OC)c1 ZINC000000157150 24/79/91/168247991 LWRSYTXEQUUTKW-UHFFFAOYSA-N 0 166.176 AD 1.516 0 Anodyne ref ADAARN COc1ccc(C=O)c(OC)c1 in-vitro biogenic CCOC(=O)Cc1ccc(N)cc1 ZINC000000157293 92/93/54/342929354 CFNDVXUTYPXOPG-UHFFFAOYSA-N 0 179.219 AD 1.374 0 Clean ref ADCARN CCOC(=O)Cc1ccc(N)cc1 COc1cccc(CO)c1OC ZINC000000157466 26/88/03/168268803 CRLBBOBKCLYCJK-UHFFFAOYSA-N 0 168.192 AD 1.196 0 Anodyne ref ADAARN COc1cccc(CO)c1OC CC(C)C(=O)Nc1ccc(N)cc1 ZINC000000157653 27/15/43/351271543 YZENEPXJSXLINE-UHFFFAOYSA-N 0 178.235 AD 1.863 0 Clean ref ADCARN CC(C)C(=O)Nc1ccc(N)cc1 Nc1ccc(Br)cc1N ZINC000000158488 29/00/55/169290055 WIHHVKUARKTSBU-UHFFFAOYSA-N 0 187.04 AD 1.613 0 Anodyne ref ADAARN Nc1ccc(Br)cc1N O=C(O)c1ccc2ncsc2c1 ZINC000000158619 92/97/85/342929785 DMPZJACLHDWUFS-UHFFFAOYSA-N -1 179.2 AD 1.994 0 Anodyne ref ADAARM O=C([O-])c1ccc2ncsc2c1 COc1ccccc1NC(N)=O ZINC000000160903 99/27/17/170992717 IABLBGQNBFMFFZ-UHFFFAOYSA-N 0 166.18 AD 1.186 0 Anodyne ref ADAARN COc1ccccc1NC(N)=O COc1ccc([N+](=O)[O-])cc1N ZINC000000162403 26/06/07/168260607 NIPDVSLAMPAWTP-UHFFFAOYSA-N 0 168.152 AD 1.186 0 Bother ref ADBARN COc1ccc([N+](=O)[O-])cc1N in-vitro O=Cc1cccc([N+](=O)[O-])c1 ZINC000000163576 18/79/63/171187963 ZETIVVHRRQLWFW-UHFFFAOYSA-N 0 151.121 AD 1.407 0 Bother ref ADBARN O=Cc1cccc([N+](=O)[O-])c1 in-vitro CCc1cc(C(=O)OC)c(N)s1 ZINC000000163960 93/05/64/342930564 YFGOHKLTZXZUPH-UHFFFAOYSA-N 0 185.248 AD 1.679 0 Anodyne ref ADAARN CCc1cc(C(=O)OC)c(N)s1 CC(=O)c1ccc(O)c(C)c1 ZINC000000164888 32/53/01/166325301 LXBHHIZIQVZGFN-UHFFFAOYSA-N -1 150.177 AD 1.903 3 Anodyne high ADAAHM CC(=O)c1ccc([O-])c(C)c1 in-man CC(=O)c1ccc(O)c(C)c1 ZINC000000164888 32/53/00/166325300 LXBHHIZIQVZGFN-UHFFFAOYSA-N 0 150.177 AD 1.903 0 Anodyne ref ADAARN CC(=O)c1ccc(O)c(C)c1 in-man CC(=O)Nc1cccc(C#N)c1 ZINC000000165256 99/27/83/170992783 KXBIARKNAZXRGC-UHFFFAOYSA-N 0 160.176 AD 1.517 0 Mild ref ADEARN CC(=O)Nc1cccc(C#N)c1 O=C(O)c1ccnc(Cl)c1 ZINC000000166657 93/08/61/342930861 QXCOHSRHFCHCHN-UHFFFAOYSA-N -1 157.556 AD 1.433 0 Anodyne ref ADAARM O=C([O-])c1ccnc(Cl)c1 O=C(O)Cc1ccc(O)cc1 ZINC000000213065 93/15/30/342931530 XQXPVVBIMDBYFF-UHFFFAOYSA-N -1 152.149 AD 1.019 0 Anodyne ref ADAARM O=C([O-])Cc1ccc(O)cc1 world endogenous CCCC1=[N+](C)CCn2cccc21 ZINC000000249629 93/20/17/342932017 GLKHHEULOHSGSK-UHFFFAOYSA-N 1 177.271 AD 1.733 0 Clean ref ADCARO CCCC1=[N+](C)CCn2cccc21 COC(=O)c1sc(N)c(C#N)c1C ZINC000000256501 13/87/31/168138731 PDDIXJQTRLVRCG-UHFFFAOYSA-N 0 196.231 AD 1.297 0 Mild ref ADEARN COC(=O)c1sc(N)c(C#N)c1C C[C@H](Oc1ccccc1)C(=O)O ZINC000000265135 58/80/04/168588004 SXERGJJQSKIUIC-ZETCQYMHSA-N -1 166.176 AD 1.538 0 Anodyne ref ADAARM C[C@H](Oc1ccccc1)C(=O)[O-] C[C@@H](Oc1ccccc1)C(=O)O ZINC000000265136 40/27/29/168402729 SXERGJJQSKIUIC-SSDOTTSWSA-N -1 166.176 AD 1.538 0 Anodyne ref ADAARM C[C@@H](Oc1ccccc1)C(=O)[O-] COc1ccccc1O[C@@H](C)C(=O)O ZINC000000265139 93/25/08/342932508 OPYAFQUFAKCNPN-ZETCQYMHSA-N -1 196.202 AD 1.547 0 Anodyne ref ADAARM COc1ccccc1O[C@@H](C)C(=O)[O-] COc1ccccc1O[C@H](C)C(=O)O ZINC000000265140 93/24/12/342932412 OPYAFQUFAKCNPN-SSDOTTSWSA-N -1 196.202 AD 1.547 0 Anodyne ref ADAARM COc1ccccc1O[C@H](C)C(=O)[O-] CNc1ccccc1C(=O)O ZINC000000270812 06/81/24/168068124 WVMBPWMAQDVZCM-UHFFFAOYSA-N -1 151.165 AD 1.426 0 Anodyne ref ADAARM CNc1ccccc1C(=O)[O-] in-man endogenous O=c1ccn2ccccc2c1 ZINC000000331164 27/53/38/351275338 DGCWHOHVNONFSD-UHFFFAOYSA-N 0 145.161 AD 1.3 0 Anodyne ref ADAARN O=c1ccn2ccccc2c1 N#Cc1ccsc1[N+](=O)[O-] ZINC000000334384 12/92/81/169129281 OKTNJZDGVBOZLX-UHFFFAOYSA-N 0 154.15 AD 1.528 0 Mild ref ADEARN N#Cc1ccsc1[N+](=O)[O-] O=C(O)c1occc1Br ZINC000000334387 93/41/35/342934135 UZBGSJZFBUOJNE-UHFFFAOYSA-N -1 190.98 AD 1.74 0 Anodyne ref ADAARM O=C([O-])c1occc1Br O=C(O)c1sccc1F ZINC000000334390 99/43/45/170994345 WPHRBUAOSDHRDS-UHFFFAOYSA-N -1 146.142 AD 1.585 0 Anodyne ref ADAARM O=C([O-])c1sccc1F C/C(Br)=C(\C)C(=O)O ZINC000000334400 05/57/71/166055771 JYWSJFSJLIAEOC-ARJAWSKDSA-N -1 179.013 AD 1.76 0 Anodyne ref ADAARM C/C(Br)=C(\C)C(=O)[O-] O=C(O)c1ccsc1/C=C/[N+](=O)[O-] ZINC000000334424 35/97/15/169359715 JRTMCLXSDQDIOR-HNQUOIGGSA-N -1 199.187 AD 1.694 0 Anodyne ref ADAARM O=C([O-])c1ccsc1/C=C/[N+](=O)[O-] CC(=O)c1ccsc1 ZINC000000334460 32/93/52/166329352 RNIDWJDZNNVFDY-UHFFFAOYSA-N 0 126.18 AD 1.951 0 Anodyne ref ADAARN CC(=O)c1ccsc1 in-man endogenous CC(=O)Nc1cc(C)nc(C)n1 ZINC000000334471 93/39/31/342933931 WBOZAAHQWXGQSR-UHFFFAOYSA-N 0 165.196 AD 1.052 0 Anodyne ref ADAARN CC(=O)Nc1cc(C)nc(C)n1 CN(C)C(=S)c1ccsc1 ZINC000000334477 93/41/40/342934140 IIJLACSPKLTSKK-UHFFFAOYSA-N 0 171.29 AD 1.985 0 Anodyne ref ADAARN CN(C)C(=S)c1ccsc1 CN(C)C(=S)c1cccs1 ZINC000000334479 93/40/28/342934028 IWPBXZMMZDLVAE-UHFFFAOYSA-N 0 171.29 AD 1.985 0 Anodyne ref ADAARN CN(C)C(=S)c1cccs1 COc1ccsc1C=O ZINC000000334484 28/05/69/168280569 KGJDTMQUUPIAEF-UHFFFAOYSA-N 0 142.179 AD 1.569 0 Anodyne ref ADAARN COc1ccsc1C=O CC(=O)Nc1ccco1 ZINC000000334494 28/66/09/166286609 AMKUXSNZBKDEHN-UHFFFAOYSA-N 0 125.127 AD 1.238 0 Anodyne ref ADAARN CC(=O)Nc1ccco1 O=C1C=C(c2ccccn2)CS1 ZINC000000334584 93/39/22/342933922 UVAOFHCASDYRHQ-UHFFFAOYSA-N 0 177.228 AD 1.738 0 Mild ref ADEARN O=C1C=C(c2ccccn2)CS1 CC(C)NC(=O)NCc1ccco1 ZINC000000334786 53/34/44/166533444 LFVQAVBOBKUPMD-UHFFFAOYSA-N 0 182.223 AD 1.487 0 Anodyne ref ADAARN CC(C)NC(=O)NCc1ccco1 COC(=O)Nc1ccccc1O ZINC000000334817 10/34/21/168103421 SWVPURTXCYPXDZ-UHFFFAOYSA-N -1 167.164 AD 1.57 3 Anodyne high ADAAHM COC(=O)Nc1ccccc1[O-] COC(=O)Nc1ccccc1O ZINC000000334817 10/34/17/168103417 SWVPURTXCYPXDZ-UHFFFAOYSA-N 0 167.164 AD 1.57 0 Anodyne ref ADAARN COC(=O)Nc1ccccc1O Cc1ccc(C)c(C=O)c1O ZINC000000334847 93/39/83/342933983 WTHUWXPBPNTSHJ-UHFFFAOYSA-N -1 150.177 AD 1.822 3 Anodyne high ADAAHM Cc1ccc(C)c(C=O)c1[O-] Cc1ccc(C)c(C=O)c1O ZINC000000334847 93/39/81/342933981 WTHUWXPBPNTSHJ-UHFFFAOYSA-N 0 150.177 AD 1.822 0 Anodyne ref ADAARN Cc1ccc(C)c(C=O)c1O COC(=O)c1ccc(SC)[n+](C)c1 ZINC000000334935 13/16/42/168131642 VOSAVVIZNLMKBW-UHFFFAOYSA-N 1 198.267 AD 1.02 0 Anodyne ref ADAARO COC(=O)c1ccc(SC)[n+](C)c1