CC(=O)Oc1ccccc1C(=O)O ZINC000000000053 29/63/78/166296378 BSYNRYMUTXBXSQ-UHFFFAOYSA-N -1 180.159 AD 1.31 0 Anodyne ref ADAARM CC(=O)Oc1ccccc1C(=O)[O-] fda biogenic CC[N+](C)(C)c1cccc(O)c1 ZINC000000001341 92/37/73/342923773 VWLHWLSRQJQWRG-UHFFFAOYSA-O 0 166.244 AD 1.979 3 Bother high ADBAHN CC[N+](C)(C)c1cccc([O-])c1 fda CC[N+](C)(C)c1cccc(O)c1 ZINC000000001341 92/37/71/342923771 VWLHWLSRQJQWRG-UHFFFAOYSA-O 1 166.244 AD 1.979 0 Bother ref ADBARO CC[N+](C)(C)c1cccc(O)c1 fda CCOc1ccccc1C(N)=O ZINC000000001384 26/83/33/351268333 SBNKFTQSBPKMBZ-UHFFFAOYSA-N 0 165.192 AD 1.184 0 Anodyne ref ADAARN CCOc1ccccc1C(N)=O in-man CCc1ccc(O)c(O)c1 ZINC000000002501 92/37/24/342923724 HFLGBNBLMBSXEM-UHFFFAOYSA-N 0 138.166 AD 1.66 0 Clean ref ADCARN CCc1ccc(O)c(O)c1 in-man endogenous 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 c1cncc([C@H]2CCCN2)c1 ZINC000000005898 26/83/05/351268305 MYKUKUCHPMASKF-SECBINFHSA-N 1 148.209 AD 1.506 0 Anodyne ref ADAARO c1cncc([C@H]2CCC[NH2+]2)c1 world biogenic NOCc1c(F)cccc1Cl ZINC000000007573 23/99/41/169239941 LROSJIONKOYASE-UHFFFAOYSA-N 0 175.59 AD 1.869 0 Anodyne ref ADAARN NOCc1c(F)cccc1Cl Oc1cccc2cccnc12 ZINC000000008492 26/79/40/351267940 MCJGNVYPOGVAJF-UHFFFAOYSA-N 0 145.161 AD 1.94 0 Anodyne ref ADAARN Oc1cccc2cccnc12 fda metabolite C1COC(NC(C2CC2)C2CC2)=N1 ZINC000000009708 92/41/28/342924128 CQXADFVORZEARL-UHFFFAOYSA-N 1 180.251 AD 1.151 1 Anodyne mid ADAAMO C1COC(NC(C2CC2)C2CC2)=[NH+]1 world C1COC(NC(C2CC2)C2CC2)=N1 ZINC000000009708 92/41/26/342924126 CQXADFVORZEARL-UHFFFAOYSA-N 0 180.251 AD 1.151 0 Anodyne ref ADAARN C1COC(NC(C2CC2)C2CC2)=N1 world CCc1nc(C)ccc1O ZINC000000036605 92/45/81/342924581 JPGDYIGSCHWQCC-UHFFFAOYSA-N 1 137.182 AD 1.658 2 Anodyne low ADAALO CCc1[nH+]c(C)ccc1O CCc1nc(C)ccc1O ZINC000000036605 92/45/78/342924578 JPGDYIGSCHWQCC-UHFFFAOYSA-N 0 137.182 AD 1.658 0 Anodyne ref ADAARN CCc1nc(C)ccc1O CCCc1cc(C(=O)O)n(C)n1 ZINC000000039727 10/09/21/167100921 KOABFSONXOOIIH-UHFFFAOYSA-N -1 168.196 AD 1.071 0 Anodyne ref ADAARM CCCc1cc(C(=O)[O-])n(C)n1 in-vitro O=C(O)c1ccc2c(c1)CCO2 ZINC000000039810 92/44/48/342924448 YXYOLVAXVPOIMA-UHFFFAOYSA-N -1 164.16 AD 1.32 0 Anodyne ref ADAARM O=C([O-])c1ccc2c(c1)CCO2 in-vitro COC(=O)c1cccc2cc[nH]c12 ZINC000000040015 13/46/57/168134657 FTLOEULOTNVCGF-UHFFFAOYSA-N 0 175.187 AD 1.954 0 Anodyne ref ADAARN COC(=O)c1cccc2cc[nH]c12 O=Cc1ccc(C=O)s1 ZINC000000042388 92/50/92/342925092 OTMRXENQDSQACG-UHFFFAOYSA-N 0 140.163 AD 1.373 0 Anodyne ref ADAARN O=Cc1ccc(C=O)s1 CC(=O)CC(=O)NCc1ccccc1 ZINC000000052869 23/98/18/166239818 KOHNUEXAOQRRPI-UHFFFAOYSA-N 0 191.23 AD 1.282 0 Anodyne ref ADAARN CC(=O)CC(=O)NCc1ccccc1 in-vitro O=[N+]([O-])/C=C/c1cccs1 ZINC000000055258 26/91/80/351269180 UTPOWFFIBWOQRK-ONEGZZNKSA-N 0 155.178 AD 1.996 0 Bother ref ADBARN O=[N+]([O-])/C=C/c1cccs1 CN[C@H](C)[C@@H](O)c1ccc(O)cc1 ZINC000000056402 05/06/19/168050619 OXFGTKPPFSCSMA-GMSGAONNSA-N 1 181.235 AD 1.033 0 Anodyne ref ADAARO C[NH2+][C@H](C)[C@@H](O)c1ccc(O)cc1 world biogenic CN(C)c1ccc(N)cc1 ZINC000000056911 92/55/37/342925537 BZORFPDSXLZWJF-UHFFFAOYSA-N 1 136.198 AD 1.335 2 Clean low ADCALO C[NH+](C)c1ccc(N)cc1 in-vitro metabolite CN(C)c1ccc(N)cc1 ZINC000000056911 92/55/32/342925532 BZORFPDSXLZWJF-UHFFFAOYSA-N 0 136.198 AD 1.335 0 Clean ref ADCARN CN(C)c1ccc(N)cc1 in-vitro metabolite COc1ccc2[nH]cc(CCN)c2c1 ZINC000000057163 92/53/96/342925396 JTEJPPKMYBDEMY-UHFFFAOYSA-N 1 190.246 AD 1.678 0 Anodyne ref ADAARO COc1ccc2[nH]cc(CC[NH3+])c2c1 investigational endogenous Cc1cc(=O)oc2cc(N)ccc12 ZINC000000057949 92/54/19/342925419 GLNDAGDHSLMOKX-UHFFFAOYSA-N 0 175.187 AD 1.684 0 Anodyne ref ADAARN Cc1cc(=O)oc2cc(N)ccc12 in-vivo COc1cc(/C=C/C(=O)O)ccc1O ZINC000000058258 22/77/33/168227733 KSEBMYQBYZTDHS-HWKANZROSA-N -1 194.186 AD 1.499 0 Anodyne ref ADAARM COc1cc(/C=C/C(=O)[O-])ccc1O in-man endogenous 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 O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000000066050 26/92/05/351269205 UTTCOAGPVHRUFO-GFCCVEGCSA-N 0 191.274 AD 1.643 3 Anodyne high ADAAHN O[C@@H]1CCCN(Cc2ccccc2)C1 in-vitro O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000000066050 26/91/99/351269199 UTTCOAGPVHRUFO-GFCCVEGCSA-N 1 191.274 AD 1.643 1 Anodyne mid ADAAMO O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 in-vitro O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000000066050 26/91/95/351269195 UTTCOAGPVHRUFO-GFCCVEGCSA-N 1 191.274 AD 1.643 0 Anodyne ref ADAARO O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 in-vitro Cc1ccccc1N1CCNCC1 ZINC000000066076 17/85/39/132178539 WICKLEOONJPMEQ-UHFFFAOYSA-N 0 176.263 AD 1.405 3 Anodyne high ADAAHN Cc1ccccc1N1CCNCC1 Cc1ccccc1N1CCNCC1 ZINC000000066076 17/85/38/132178538 WICKLEOONJPMEQ-UHFFFAOYSA-N 1 176.263 AD 1.405 0 Anodyne ref ADAARO Cc1ccccc1N1CC[NH2+]CC1 Cc1ccc2[nH]cc(CCN)c2c1 ZINC000000066085 92/53/08/342925308 PYOUAIQXJALPKW-UHFFFAOYSA-N 1 174.247 AD 1.978 0 Anodyne ref ADAARO Cc1ccc2[nH]cc(CC[NH3+])c2c1 in-vitro COC(=O)c1ccc2nccnc2c1 ZINC000000071451 13/17/82/168131782 VFPWJISMXACHIG-UHFFFAOYSA-N 0 188.186 AD 1.416 0 Anodyne ref ADAARN COC(=O)c1ccc2nccnc2c1 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)c1ccc(C(=O)O)c(F)c1 ZINC000000074378 35/78/46/169357846 YUWKPDBHJFNMAD-UHFFFAOYSA-N -2 184.122 AD 1.222 0 Anodyne ref ADAARL O=C([O-])c1ccc(C(=O)[O-])c(F)c1 CC(=O)c1c(C)c[nH]c1C ZINC000000076519 31/35/42/166313542 VGZCKCJMYREIKA-UHFFFAOYSA-N 0 137.182 AD 1.834 0 Anodyne ref ADAARN CC(=O)c1c(C)c[nH]c1C CCOC(=O)c1c(C)csc1N ZINC000000080323 36/59/39/167365939 ILYCZKOBLRJJSW-UHFFFAOYSA-N 0 185.248 AD 1.815 0 Anodyne ref ADAARN CCOC(=O)c1c(C)csc1N COc1ccc([N+](=O)[O-])cc1OC ZINC000000080767 26/02/79/168260279 YFWBUVZWCBFSQN-UHFFFAOYSA-N 0 183.163 AD 1.612 0 Bother ref ADBARN COc1ccc([N+](=O)[O-])cc1OC in-vitro CC(=O)O[C@@H](C(=O)O)c1ccccc1 ZINC000000081255 92/57/75/342925775 OBCUSTCTKLTMBX-SECBINFHSA-N -1 194.186 AD 1.375 0 Anodyne ref ADAARM CC(=O)O[C@@H](C(=O)[O-])c1ccccc1 OCC12CC3CC(C1)CC(CO)(C3)C2 ZINC000000085547 42/39/14/169423914 RABVYVVNRHVXPJ-UHFFFAOYSA-N 0 196.29 AD 1.558 0 Anodyne ref ADAARN OCC12CC3CC(C1)CC(CO)(C3)C2 O=C1C=CC(=O)N1Cc1ccccc1 ZINC000000096688 36/65/32/169366532 MKRBAPNEJMFMHU-UHFFFAOYSA-N 0 187.198 AD 1.112 0 Anodyne ref ADAARN O=C1C=CC(=O)N1Cc1ccccc1 CN(C)C(=O)Nc1ccccc1 ZINC000000097471 92/69/23/342926923 XXOYNJXVWVNOOJ-UHFFFAOYSA-N 0 164.208 AD 1.78 0 Anodyne ref ADAARN CN(C)C(=O)Nc1ccccc1 in-vitro CN(C)/C=C/C(=O)c1cccnc1 ZINC000000109849 92/68/46/342926846 MZLRFUCMBQWLNV-FNORWQNLSA-N 0 176.219 AD 1.34 0 Mild ref ADEARN CN(C)/C=C/C(=O)c1cccnc1 O=C1C=CC(=O)N1C1CCCCC1 ZINC000000114118 36/68/01/169366801 BQTPKSBXMONSJI-UHFFFAOYSA-N 0 179.219 AD 1.244 0 Anodyne ref ADAARN O=C1C=CC(=O)N1C1CCCCC1 N[C@H](CO)Cc1ccc(Cl)cc1 ZINC000000119803 26/65/18/169266518 RPHQMRWKOPBZQY-VIFPVBQESA-N 1 185.654 AD 1.202 0 Anodyne ref ADAARO [NH3+][C@H](CO)Cc1ccc(Cl)cc1 N[C@@H](CO)Cc1ccc(Cl)cc1 ZINC000000119808 24/50/10/169245010 RPHQMRWKOPBZQY-SECBINFHSA-N 1 185.654 AD 1.202 0 Anodyne ref ADAARO [NH3+][C@@H](CO)Cc1ccc(Cl)cc1 NCCc1c[nH]c2ccccc12 ZINC000000120144 19/66/19/169196619 APJYDQYYACXCRM-UHFFFAOYSA-N 1 160.22 AD 1.669 0 Anodyne ref ADAARO [NH3+]CCc1c[nH]c2ccccc12 in-man endogenous c1ccc(N2CCNCC2)cc1 ZINC000000120271 17/85/25/132178525 YZTJYBJCZXZGCT-UHFFFAOYSA-N 0 162.236 AD 1.096 3 Anodyne high ADAAHN c1ccc(N2CCNCC2)cc1 in-vivo c1ccc(N2CCNCC2)cc1 ZINC000000120271 17/85/23/132178523 YZTJYBJCZXZGCT-UHFFFAOYSA-N 1 162.236 AD 1.096 0 Anodyne ref ADAARO c1ccc(N2CC[NH2+]CC2)cc1 in-vivo Cc1cccc(C)c1OCC(=O)O ZINC000000120508 86/36/86/168863686 MLBCURLNKYKBEQ-UHFFFAOYSA-N -1 180.203 AD 1.767 0 Anodyne ref ADAARM Cc1cccc(C)c1OCC(=O)[O-] in-vivo Nc1ccc(O)c2ncccc12 ZINC000000120515 29/25/68/169292568 YDEUKNRKEYICTH-UHFFFAOYSA-N 0 160.176 AD 1.523 0 Anodyne ref ADAARN Nc1ccc(O)c2ncccc12 in-vivo O=C1C2CC3CC1CC(C2)C3=O ZINC000000124698 92/73/90/342927390 UBIAKEDDKXHXTB-UHFFFAOYSA-N 0 164.204 AD 1.191 0 Anodyne ref ADAARN O=C1C2CC3CC1CC(C2)C3=O c1ccc(CC2=NCCN2)cc1 ZINC000000125006 92/72/24/342927224 JIVZKJJQOZQXQB-UHFFFAOYSA-N 1 160.22 AD 1.231 0 Anodyne ref ADAARO c1ccc(CC2=[NH+]CCN2)cc1 world CCOC(=O)c1c(C)nsc1N ZINC000000126361 36/57/06/167365706 ZDGBWOZFPKNORL-UHFFFAOYSA-N 0 186.236 AD 1.21 0 Anodyne ref ADAARN CCOC(=O)c1c(C)nsc1N N=C(N)c1ccc(Cl)cc1 ZINC000000126846 14/13/73/169141373 LFCUMSZYMJRUHD-UHFFFAOYSA-N 1 154.6 AD 1.624 0 Anodyne ref ADAARO NC(=[NH2+])c1ccc(Cl)cc1 SCc1nc2ccccc2[nH]1 ZINC000000127800 27/03/25/351270325 XGIDEUICZZXBFQ-UHFFFAOYSA-N 0 164.233 AD 1.993 0 Mild ref ADEARN SCc1nc2ccccc2[nH]1 in-vitro O=C(O)[C@@H]1Cc2ccccc2N1 ZINC000000133574 35/01/42/169350142 QNRXNRGSOJZINA-QMMMGPOBSA-N -1 163.176 AD 1.108 0 Anodyne ref ADAARM O=C([O-])[C@@H]1Cc2ccccc2N1 in-vitro biogenic N#CCc1cccc(CC#N)c1 ZINC000000135700 10/42/93/169104293 GRPFZJNUYXIVSL-UHFFFAOYSA-N 0 156.188 AD 1.819 0 Mild ref ADEARN N#CCc1cccc(CC#N)c1 Cc1[nH]c2ccccc2c1CCN ZINC000000140764 92/82/62/342928262 CPVSLHQIPGTMLH-UHFFFAOYSA-N 1 174.247 AD 1.978 0 Anodyne ref ADAARO Cc1[nH]c2ccccc2c1CC[NH3+] in-vitro C[C@H](O)c1nc2ccccc2[nH]1 ZINC000000141114 92/82/13/342928213 XZHWEHOSQYNGOL-LURJTMIESA-N 0 162.192 AD 1.616 0 Anodyne ref ADAARN C[C@H](O)c1nc2ccccc2[nH]1 C[C@@H](O)c1nc2ccccc2[nH]1 ZINC000000141117 27/06/04/351270604 XZHWEHOSQYNGOL-ZCFIWIBFSA-N 0 162.192 AD 1.616 0 Anodyne ref ADAARN C[C@@H](O)c1nc2ccccc2[nH]1 O=C(O)/C=C/c1ccc([N+](=O)[O-])s1 ZINC000000152642 33/44/96/169334496 IIJCRPJUZLOCIE-DUXPYHPUSA-N -1 199.187 AD 1.754 0 Bother ref ADBARM O=C([O-])/C=C/c1ccc([N+](=O)[O-])s1 in-vitro N#Cc1ccc(N)cc1 ZINC000000152697 12/16/25/169121625 YBAZINRZQSAIAY-UHFFFAOYSA-N 0 118.139 AD 1.14 0 Mild ref ADEARN N#Cc1ccc(N)cc1 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 Cn1ncc(Cl)c(Cl)c1=O ZINC000000153064 06/56/12/169065612 ACKBTCUMGAHRIE-UHFFFAOYSA-N 0 179.006 AD 1.087 0 Anodyne ref ADAARN Cn1ncc(Cl)c(Cl)c1=O 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 NC(=O)c1cccc(Cl)c1 ZINC000000153113 16/51/91/169165191 MJTGQALMWUUPQM-UHFFFAOYSA-N 0 155.584 AD 1.439 0 Anodyne ref ADAARN NC(=O)c1cccc(Cl)c1 in-vitro Cc1cccc(NN)c1 ZINC000000153125 92/85/37/342928537 GPTOGZLZMLJZCV-UHFFFAOYSA-N 0 122.171 AD 1.281 0 Anodyne ref ADAARN Cc1cccc(NN)c1 COc1ccc(Cl)cc1N ZINC000000153252 25/27/41/168252741 WBSMIPLNPSCJFS-UHFFFAOYSA-N 0 157.6 AD 1.931 0 Anodyne ref ADAARN COc1ccc(Cl)cc1N CC(C)/C=C/C(=O)O ZINC000000153584 21/48/17/171214817 QAOXMQCWUWZZNC-ONEGZZNKSA-N -1 114.144 AD 1.283 0 Anodyne ref ADAARM CC(C)/C=C/C(=O)[O-] COC(=O)c1cccs1 ZINC000000153666 13/34/80/168133480 PGBFYLVIMDQYMS-UHFFFAOYSA-N 0 142.179 AD 1.535 0 Anodyne ref ADAARN COC(=O)c1cccs1 in-man endogenous CCOC(=O)CC(=O)c1ccncc1 ZINC000000153760 33/12/05/167331205 PCJNYGPKMQQCPX-UHFFFAOYSA-N -1 193.202 AD 1.218 0 Anodyne ref ADAARM CCOC(=O)C=C([O-])c1ccncc1 O=C(O)CCc1ccc2c(c1)CCO2 ZINC000000154071 33/95/88/169339588 DPQFYUVHQLRVGR-UHFFFAOYSA-N -1 192.214 AD 1.639 0 Anodyne ref ADAARM O=C([O-])CCc1ccc2c(c1)CCO2 CS(=O)(=O)c1ccc(F)c(F)c1 ZINC000000154124 29/55/58/168295558 WMBJGJXMKCOHGG-UHFFFAOYSA-N 0 192.186 AD 1.368 0 Anodyne ref ADAARN CS(=O)(=O)c1ccc(F)c(F)c1 O=C(O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000000154472 33/48/61/169334861 BBQDLDVSEDAYAA-AATRIKPKSA-N -1 193.158 AD 1.693 0 Bother ref ADBARM O=C([O-])/C=C/c1ccccc1[N+](=O)[O-] 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=C(O)C[C@@H](C(=O)O)c1ccccc1 ZINC000000155877 34/21/39/169342139 LVFFZQQWIZURIO-MRVPVSSYSA-N -2 194.186 AD 1.33 0 Anodyne ref ADAARL O=C([O-])C[C@@H](C(=O)[O-])c1ccccc1 in-vitro O=C(O)C[C@H](C(=O)O)c1ccccc1 ZINC000000155879 34/30/05/169343005 LVFFZQQWIZURIO-QMMMGPOBSA-N -2 194.186 AD 1.33 0 Anodyne ref ADAARL O=C([O-])C[C@H](C(=O)[O-])c1ccccc1 in-vitro O=C(O)/C=C/c1cccc(O)c1 ZINC000000155996 33/44/78/169334478 KKSDGJDHHZEWEP-SNAWJCMRSA-N -1 164.16 AD 1.49 0 Anodyne ref ADAARM O=C([O-])/C=C/c1cccc(O)c1 in-man endogenous CN(C)C(=O)c1ccccc1 ZINC000000156874 82/78/29/167827829 IMNDHOCGZLYMRO-UHFFFAOYSA-N 0 149.193 AD 1.388 0 Anodyne ref ADAARN CN(C)C(=O)c1ccccc1 CCOC(=O)Cc1ccccn1 ZINC000000156953 92/93/42/342929342 IUDKTVXSXWAKJO-UHFFFAOYSA-N 0 165.192 AD 1.187 0 Anodyne ref ADAARN CCOC(=O)Cc1ccccn1 c1cnc2c(n1)CCCC2 ZINC000000156991 21/49/41/171214941 XCZPDOCRSYZOBI-UHFFFAOYSA-N 0 134.182 AD 1.355 0 Anodyne ref ADAARN c1cnc2c(n1)CCCC2 in-man endogenous CSc1ccc(CO)cc1 ZINC000000157460 31/11/34/168311134 MTXQKSQYMREAGJ-UHFFFAOYSA-N 0 154.234 AD 1.901 0 Anodyne ref ADAARN CSc1ccc(CO)cc1 CC(C)c1nc([N+](=O)[O-])c[nH]1 ZINC000000157584 92/93/29/342929329 SQZCZXRYOJJCDU-UHFFFAOYSA-N 0 155.157 AD 1.441 0 Bother ref ADBARN CC(C)c1nc([N+](=O)[O-])c[nH]1 in-vitro C=CCc1c(O)cccc1C=O ZINC000000157784 20/70/12/166207012 QVHRAGBOMUXWRI-UHFFFAOYSA-N -1 162.188 AD 1.933 3 Mild high ADEAHM C=CCc1c([O-])cccc1C=O C=CCc1c(O)cccc1C=O ZINC000000157784 20/70/11/166207011 QVHRAGBOMUXWRI-UHFFFAOYSA-N 0 162.188 AD 1.933 0 Mild ref ADEARN C=CCc1c(O)cccc1C=O Brc1ccccn1 ZINC000000158586 01/02/22/166010222 IMRWILPUOVGIMU-UHFFFAOYSA-N 0 157.998 AD 1.844 0 Anodyne ref ADAARN Brc1ccccn1 in-vitro Brc1cccnc1 ZINC000000158591 01/06/06/166010606 NYPYPOZNGOXYSU-UHFFFAOYSA-N 0 157.998 AD 1.844 0 Anodyne ref ADAARN Brc1cccnc1 in-vitro Cc1nn(C)c(C)c1Br ZINC000000158805 92/96/95/342929695 UNTQXOJGXGRHMG-UHFFFAOYSA-N 0 189.056 AD 1.799 0 Anodyne ref ADAARN Cc1nn(C)c(C)c1Br in-vitro Cc1cc(C)c(C(=O)O)[nH]1 ZINC000000158866 92/97/87/342929787 XQGVQRPSTODODM-UHFFFAOYSA-N -1 139.154 AD 1.33 0 Anodyne ref ADAARM Cc1cc(C)c(C(=O)[O-])[nH]1 O=Cc1ccc(-n2cccn2)cc1 ZINC000000158880 27/26/04/351272604 PPGRDLZPSDHBIC-UHFFFAOYSA-N 0 172.187 AD 1.685 0 Anodyne ref ADAARN O=Cc1ccc(-n2cccn2)cc1 O=C(O)c1cnn2ccccc12 ZINC000000159044 36/01/90/169360190 HRSDPDBQVZHCRC-UHFFFAOYSA-N -1 162.148 AD 1.032 0 Anodyne ref ADAARM O=C([O-])c1cnn2ccccc12 Cn1ccc(C(F)(F)F)n1 ZINC000000160136 04/48/09/169044809 MQSLINQSJFALSP-UHFFFAOYSA-N 0 150.103 AD 1.439 0 Anodyne ref ADAARN Cn1ccc(C(F)(F)F)n1 c1ccc(-n2ccnc2)cc1 ZINC000000160340 27/26/49/351272649 SEULWJSKCVACTH-UHFFFAOYSA-N 1 144.177 AD 1.872 2 Anodyne low ADAALO c1ccc(-n2cc[nH+]c2)cc1 in-vitro c1ccc(-n2ccnc2)cc1 ZINC000000160340 27/26/44/351272644 SEULWJSKCVACTH-UHFFFAOYSA-N 1 144.177 AD 1.872 0 Anodyne ref ADAARO c1ccc(-n2ccnc2)cc1 in-vitro