COc1ccccc1N1CCNCC1 ZINC000000012687 07/23/28/537072328 VNZLQLYBRIOLFZ-UHFFFAOYSA-N 0 192.262 AD 1.105 3 Anodyne high ADAAHN COc1ccccc1N1CCNCC1 in-vivo COc1ccccc1N1CCNCC1 ZINC000000012687 07/23/18/537072318 VNZLQLYBRIOLFZ-UHFFFAOYSA-N 1 192.262 AD 1.105 0 Anodyne ref ADAARO COc1ccccc1N1CC[NH2+]CC1 in-vivo N#CCC(=O)NCc1ccccc1 ZINC000000028395 92/41/88/342924188 JQVMRGYDSQFFJC-UHFFFAOYSA-N 0 174.203 AD 1.216 0 Mild ref ADEARN N#CCC(=O)NCc1ccccc1 c1cncc([C@H]2CCCCN2)c1 ZINC000000031164 26/85/39/351268539 MTXSIJUGVMTTMU-SNVBAGLBSA-N 0 162.236 AD 1.896 3 Anodyne high ADAAHN c1cncc([C@H]2CCCCN2)c1 world metabolite c1cncc([C@H]2CCCCN2)c1 ZINC000000031164 26/85/33/351268533 MTXSIJUGVMTTMU-SNVBAGLBSA-N 1 162.236 AD 1.896 0 Anodyne ref ADAARO c1cncc([C@H]2CCCC[NH2+]2)c1 world metabolite c1cncc([C@@H]2CCCCN2)c1 ZINC000000031165 26/85/57/351268557 MTXSIJUGVMTTMU-JTQLQIEISA-N 0 162.236 AD 1.896 3 Anodyne high ADAAHN c1cncc([C@@H]2CCCCN2)c1 world metabolite c1cncc([C@@H]2CCCCN2)c1 ZINC000000031165 26/85/51/351268551 MTXSIJUGVMTTMU-JTQLQIEISA-N 1 162.236 AD 1.896 0 Anodyne ref ADAARO c1cncc([C@@H]2CCCC[NH2+]2)c1 world metabolite OCc1ccc(O)c2ncccc12 ZINC000000038638 26/82/83/351268283 ZBNACESDSSHENJ-UHFFFAOYSA-N -1 175.187 AD 1.433 3 Anodyne high ADAAHM [O-]c1ccc(CO)c2cccnc12 OCc1ccc(O)c2ncccc12 ZINC000000038638 26/82/76/351268276 ZBNACESDSSHENJ-UHFFFAOYSA-N 0 175.187 AD 1.433 0 Anodyne ref ADAARN OCc1ccc(O)c2ncccc12 Nc1ccc(N2CCCC2=O)cc1 ZINC000000039083 29/31/31/169293131 IOMOVAPYJQVJDK-UHFFFAOYSA-N 0 176.219 AD 1.396 0 Clean ref ADCARN Nc1ccc(N2CCCC2=O)cc1 Nc1cnc2ccccc2c1 ZINC000000039224 30/13/23/169301323 SVNCRRZKBNSMIV-UHFFFAOYSA-N 0 144.177 AD 1.817 0 Anodyne ref ADAARN Nc1cnc2ccccc2c1 in-vitro O=C1CSc2nc3ccccc3n21 ZINC000000039272 38/04/90/169380490 CFXICROPFOOZFI-UHFFFAOYSA-N 0 190.227 AD 1.782 0 Anodyne ref ADAARN O=C1CSc2nc3ccccc3n21 Cc1ccccc1NC(=O)CC#N ZINC000000039365 92/46/53/342924653 YNVNCLRDLWQWAA-UHFFFAOYSA-N 0 174.203 AD 1.847 0 Mild ref ADEARN Cc1ccccc1NC(=O)CC#N Cc1cc(C(F)(F)F)nc(N)n1 ZINC000000039502 92/46/11/342924611 CNTCLEOUAMWZGS-UHFFFAOYSA-N 0 177.129 AD 1.386 0 Anodyne ref ADAARN Cc1cc(C(F)(F)F)nc(N)n1 in-vitro CC(=O)Nc1ccccc1N ZINC000000039703 99/09/76/170990976 MPXAYYWSDIKNTP-UHFFFAOYSA-N 0 150.181 AD 1.227 0 Anodyne ref ADAARN CC(=O)Nc1ccccc1N N#CC(C#N)=NNc1ccccc1 ZINC000000039770 99/08/43/170990843 MENUYOGJCXAFFU-UHFFFAOYSA-N 0 170.175 AD 1.502 0 Mild ref ADEARN N#CC(C#N)=NNc1ccccc1 O=C1CCC(c2ccccc2)=NN1 ZINC000000040047 36/94/60/169369460 KSGYMLDMYPAMFV-UHFFFAOYSA-N 0 174.203 AD 1.301 0 Anodyne ref ADAARN O=C1CCC(c2ccccc2)=NN1 Nc1cccc(N2CCCC2=O)c1 ZINC000000050246 29/65/77/169296577 ZQGGRBIDRBYUJS-UHFFFAOYSA-N 0 176.219 AD 1.396 0 Anodyne ref ADAARN Nc1cccc(N2CCCC2=O)c1 COc1ccc([C@H](N)CC(=O)O)cc1 ZINC000000050500 25/94/51/168259451 NYTANCDDCQVQHG-SECBINFHSA-N 0 195.218 AD 1.17 0 Anodyne ref ADAARN COc1ccc([C@H]([NH3+])CC(=O)[O-])cc1 COc1ccc([C@@H](N)CC(=O)O)cc1 ZINC000000050501 25/83/98/168258398 NYTANCDDCQVQHG-VIFPVBQESA-N 0 195.218 AD 1.17 0 Anodyne ref ADAARN COc1ccc([C@@H]([NH3+])CC(=O)[O-])cc1 N[C@H](CC(=O)O)c1ccc(Cl)cc1 ZINC000000050678 26/35/91/169263591 BXGDBHAMTMMNTO-MRVPVSSYSA-N 0 199.637 AD 1.815 0 Anodyne ref ADAARN [NH3+][C@H](CC(=O)[O-])c1ccc(Cl)cc1 N[C@@H](CC(=O)O)c1ccc(Cl)cc1 ZINC000000050679 24/31/69/169243169 BXGDBHAMTMMNTO-QMMMGPOBSA-N 0 199.637 AD 1.815 0 Anodyne ref ADAARN [NH3+][C@@H](CC(=O)[O-])c1ccc(Cl)cc1 Nc1nnc(-c2ccccc2F)o1 ZINC000000051001 31/13/94/169311394 JZHJJYLHTLIBEY-UHFFFAOYSA-N 0 179.154 AD 1.458 0 Anodyne ref ADAARN Nc1nnc(-c2ccccc2F)o1 Cc1ccc(C)c([C@H](N)CC(=O)O)c1 ZINC000000054334 80/53/94/168805394 ORBDRZAPRLVKDA-SNVBAGLBSA-N 0 193.246 AD 1.778 0 Anodyne ref ADAARN Cc1ccc(C)c([C@H]([NH3+])CC(=O)[O-])c1 Cc1ccc(C)c([C@@H](N)CC(=O)O)c1 ZINC000000054335 80/60/91/168806091 ORBDRZAPRLVKDA-JTQLQIEISA-N 0 193.246 AD 1.778 0 Anodyne ref ADAARN Cc1ccc(C)c([C@@H]([NH3+])CC(=O)[O-])c1 NNc1ccc(OC(F)(F)F)cc1 ZINC000000056817 92/50/79/342925079 GWFWCTYACJWQKP-UHFFFAOYSA-N 0 192.14 AD 1.871 0 Anodyne ref ADAARN NNc1ccc(OC(F)(F)F)cc1 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 Cc1ccc2occ(C=O)c(=O)c2c1 ZINC000000057738 92/55/88/342925588 GBWMIOYSMWCYIZ-UHFFFAOYSA-N 0 188.182 AD 1.914 0 Anodyne ref ADAARN Cc1ccc2occ(C=O)c(=O)c2c1 O=Cc1coc2ccc(F)cc2c1=O ZINC000000057963 40/66/98/169406698 VHRMOTNEBIKURN-UHFFFAOYSA-N 0 192.145 AD 1.745 0 Anodyne ref ADAARN O=Cc1coc2ccc(F)cc2c1=O 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 CNCc1cccs1 ZINC000000064945 02/03/79/168020379 TTXJMSRLGMWEJZ-UHFFFAOYSA-N 1 127.212 AD 1.468 0 Anodyne ref ADAARO C[NH2+]Cc1cccs1 N#CCC(=O)Nc1ccc(F)cc1 ZINC000000064957 92/53/86/342925386 GZWVZXOFWQGSRB-UHFFFAOYSA-N 0 178.166 AD 1.678 0 Mild ref ADEARN N#CCC(=O)Nc1ccc(F)cc1 Cc1cccc(NC(=O)CC#N)c1 ZINC000000064961 92/53/09/342925309 OTQOVOMLCZXTDT-UHFFFAOYSA-N 0 174.203 AD 1.847 0 Mild ref ADEARN Cc1cccc(NC(=O)CC#N)c1 Cc1ccc(NC(=O)CC#N)cc1 ZINC000000064963 92/53/20/342925320 QJUSLYUHZWAKLF-UHFFFAOYSA-N 0 174.203 AD 1.847 0 Mild ref ADEARN Cc1ccc(NC(=O)CC#N)cc1 Clc1ccc(-n2ccnc2)nn1 ZINC000000064998 02/10/33/169021033 VAJLJRMHTTUOFQ-UHFFFAOYSA-N 1 180.598 AD 1.316 2 Anodyne low ADAALO Clc1ccc(-n2cc[nH+]c2)nn1 Clc1ccc(-n2ccnc2)nn1 ZINC000000064998 02/10/30/169021030 VAJLJRMHTTUOFQ-UHFFFAOYSA-N 0 180.598 AD 1.316 0 Anodyne ref ADAARN Clc1ccc(-n2ccnc2)nn1 C[C@H](N)c1nc2ccccc2[nH]1 ZINC000000065084 92/53/33/342925333 NXSULSSADMIWQD-LURJTMIESA-N 0 161.208 AD 1.583 3 Anodyne high ADAAHN C[C@H](N)c1nc2ccccc2[nH]1 C[C@H](N)c1nc2ccccc2[nH]1 ZINC000000065084 92/53/30/342925330 NXSULSSADMIWQD-LURJTMIESA-N 1 161.208 AD 1.583 0 Anodyne ref ADAARO C[C@H]([NH3+])c1nc2ccccc2[nH]1 C[C@@H](N)c1nc2ccccc2[nH]1 ZINC000000065087 37/24/83/168372483 NXSULSSADMIWQD-ZCFIWIBFSA-N 0 161.208 AD 1.583 3 Anodyne high ADAAHN C[C@@H](N)c1nc2ccccc2[nH]1 C[C@@H](N)c1nc2ccccc2[nH]1 ZINC000000065087 37/24/80/168372480 NXSULSSADMIWQD-ZCFIWIBFSA-N 1 161.208 AD 1.583 0 Anodyne ref ADAARO C[C@@H]([NH3+])c1nc2ccccc2[nH]1 Nc1ccc2c(c1)N1CCN=C1S2 ZINC000000066032 29/43/21/169294321 HJCGGAYYNMECPO-UHFFFAOYSA-N 0 191.259 AD 1.55 0 Anodyne ref ADAARN Nc1ccc2c(c1)N1CCN=C1S2 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 Cc1cccc(N2CCNCC2)c1 ZINC000000066066 17/84/37/132178437 JIWHIRLNKIUYSM-UHFFFAOYSA-N 0 176.263 AD 1.405 3 Anodyne high ADAAHN Cc1cccc(N2CCNCC2)c1 Cc1cccc(N2CCNCC2)c1 ZINC000000066066 17/84/34/132178434 JIWHIRLNKIUYSM-UHFFFAOYSA-N 1 176.263 AD 1.405 0 Anodyne ref ADAARO Cc1cccc(N2CC[NH2+]CC2)c1 Nc1nonc1-c1ccccc1 ZINC000000075651 31/19/44/169311944 APGIIVSHRRCAPU-UHFFFAOYSA-N 0 161.164 AD 1.319 0 Anodyne ref ADAARN Nc1nonc1-c1ccccc1 in-vitro NCCc1c[nH]c2ccc(F)cc12 ZINC000000077278 19/61/59/169196159 ZKIORVIXEWIOGB-UHFFFAOYSA-N 1 178.21 AD 1.808 0 Anodyne ref ADAARO [NH3+]CCc1c[nH]c2ccc(F)cc12 in-vivo Nc1ccc(N2CCOCC2)cc1 ZINC000000080614 17/84/09/132178409 PHNDZBFLOPIMSM-UHFFFAOYSA-N 1 178.235 AD 1.105 2 Clean low ADCALO [NH3+]c1ccc(N2CCOCC2)cc1 Nc1ccc(N2CCOCC2)cc1 ZINC000000080614 17/84/04/132178404 PHNDZBFLOPIMSM-UHFFFAOYSA-N 0 178.235 AD 1.105 0 Clean ref ADCARN Nc1ccc(N2CCOCC2)cc1 CC(=O)N1CCc2cc(N)ccc21 ZINC000000080838 26/45/07/166264507 WSDUFDGEYKOQRT-UHFFFAOYSA-N 0 176.219 AD 1.178 0 Anodyne ref ADAARN CC(=O)N1CCc2cc(N)ccc21 Nc1cccc(/C=C/C(=O)O)c1 ZINC000000080855 29/54/89/169295489 JNXMJSYJCFTLJB-SNAWJCMRSA-N -1 163.176 AD 1.367 0 Anodyne ref ADAARM Nc1cccc(/C=C/C(=O)[O-])c1 Clc1ccc(Cc2nn[nH]n2)cc1 ZINC000000082869 02/31/94/169023194 PNVBWDXECSSTFP-UHFFFAOYSA-N -1 194.625 AD 1.444 3 Anodyne high ADAAHM Clc1ccc(Cc2nn[n-]n2)cc1 in-vitro Clc1ccc(Cc2nn[nH]n2)cc1 ZINC000000082869 02/31/92/169023192 PNVBWDXECSSTFP-UHFFFAOYSA-N -1 194.625 AD 1.444 3 Anodyne high ADAAHM Clc1ccc(Cc2nnn[n-]2)cc1 in-vitro Clc1ccc(Cc2nn[nH]n2)cc1 ZINC000000082869 02/31/90/169023190 PNVBWDXECSSTFP-UHFFFAOYSA-N 0 194.625 AD 1.444 0 Anodyne ref ADAARN Clc1ccc(Cc2nn[nH]n2)cc1 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 Cc1ccc(NN)c(C)c1 ZINC000000085238 92/65/02/342926502 BDSHNNKBWNAZIM-UHFFFAOYSA-N 0 136.198 AD 1.589 0 Anodyne ref ADAARN Cc1ccc(NN)c(C)c1 NNc1ccccc1Cl ZINC000000085239 23/92/15/169239215 GHGPIPTUDQZJJS-UHFFFAOYSA-N 0 142.589 AD 1.626 0 Anodyne ref ADAARN NNc1ccccc1Cl in-vitro Cc1c(Cl)cccc1NN ZINC000000085244 92/63/38/342926338 OTKORKMZHLQZQS-UHFFFAOYSA-N 0 156.616 AD 1.934 0 Anodyne ref ADAARN Cc1c(Cl)cccc1NN NNc1cccc(Cl)c1 ZINC000000085247 23/84/87/169238487 GFPJLZASIVURDY-UHFFFAOYSA-N 0 142.589 AD 1.626 0 Anodyne ref ADAARN NNc1cccc(Cl)c1 Cc1ccccc1NN ZINC000000085252 92/65/71/342926571 SCZGZDLUGUYLRV-UHFFFAOYSA-N 0 122.171 AD 1.281 0 Anodyne ref ADAARN Cc1ccccc1NN NNc1ccc(Cl)cc1 ZINC000000088600 23/75/19/169237519 XXNOGQJZAOXWAQ-UHFFFAOYSA-N 0 142.589 AD 1.626 0 Anodyne ref ADAARN NNc1ccc(Cl)cc1 in-vitro N#Cc1cccnc1Cl ZINC000000091827 12/77/55/169127755 JAUPUQRPBNDMDT-UHFFFAOYSA-N 0 138.557 AD 1.607 0 Mild ref ADEARN N#Cc1cccnc1Cl in-vitro CCOc1ccccc1NN ZINC000000091944 26/91/67/351269167 GWJSCRPGAMICGI-UHFFFAOYSA-N 0 152.197 AD 1.371 0 Anodyne ref ADAARN CCOc1ccccc1NN Cc1cccc(C)c1NN ZINC000000091946 92/62/72/342926272 CCHJMGDYNLOYKM-UHFFFAOYSA-N 0 136.198 AD 1.589 0 Anodyne ref ADAARN Cc1cccc(C)c1NN N#CCC(=O)NC1CCCCC1 ZINC000000091989 09/28/45/169092845 RURWLUVLDBYUEN-UHFFFAOYSA-N 0 166.224 AD 1.349 0 Mild ref ADEARN N#CCC(=O)NC1CCCCC1 N#CCC(=O)Nc1ccccc1F ZINC000000091998 92/62/27/342926227 RDAXFILTEIFLSA-UHFFFAOYSA-N 0 178.166 AD 1.678 0 Mild ref ADEARN N#CCC(=O)Nc1ccccc1F Cn1nc(-c2ccccc2)cc1N ZINC000000095216 05/90/94/169059094 KCYRMURRLLYLPU-UHFFFAOYSA-N 0 173.219 AD 1.669 0 Anodyne ref ADAARN Cn1nc(-c2ccccc2)cc1N Cc1cc(C)n2nc(C(=O)O)cc2n1 ZINC000000098389 92/69/16/342926916 NJJMZMNKPOVXQM-UHFFFAOYSA-N -1 191.19 AD 1.044 0 Anodyne ref ADAARM Cc1cc(C)n2nc(C(=O)[O-])cc2n1 COc1cccc([C@@H](N)CC(=O)O)c1 ZINC000000112489 27/12/13/168271213 FGMPGCPZEOXEES-VIFPVBQESA-N 0 195.218 AD 1.17 0 Anodyne ref ADAARN COc1cccc([C@@H]([NH3+])CC(=O)[O-])c1 Cc1cccc2c(CCN)c[nH]c12 ZINC000000112537 92/69/63/342926963 SGGBZKQTWMKXHD-UHFFFAOYSA-N 1 174.247 AD 1.978 0 Anodyne ref ADAARO Cc1cccc2c(CC[NH3+])c[nH]c12 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 Nc1cccc2cn[nH]c12 ZINC000000112557 29/79/11/169297911 OTFFCAGPSWJBDK-UHFFFAOYSA-N 0 133.154 AD 1.145 0 Anodyne ref ADAARN Nc1cccc2c[nH]nc12 in-vitro Cc1nc2ccccc2c(=O)o1 ZINC000000114133 92/69/41/342926941 WMQSKECCMQRJRX-UHFFFAOYSA-N 0 161.16 AD 1.496 0 Anodyne ref ADAARN Cc1nc2ccccc2c(=O)o1 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 Cc1nc2ccccc2n1CC(=O)O ZINC000000120274 92/71/66/342927166 SMGBDFGKVGSCGB-UHFFFAOYSA-N 0 190.202 AD 1.429 2 Anodyne low ADAALN Cc1[nH+]c2ccccc2n1CC(=O)[O-] Cc1nc2ccccc2n1CC(=O)O ZINC000000120274 92/71/65/342927165 SMGBDFGKVGSCGB-UHFFFAOYSA-N -1 190.202 AD 1.429 0 Anodyne ref ADAARM Cc1nc2ccccc2n1CC(=O)[O-] CC(=O)c1sc(N)nc1C ZINC000000122671 33/52/53/166335253 PKUKCASRNJIQNU-UHFFFAOYSA-N 0 156.21 AD 1.236 0 Anodyne ref ADAARN CC(=O)c1sc(N)nc1C N#CCC(=O)NCCc1ccccc1 ZINC000000122695 09/22/64/169092264 OQQDNRCAXZQBCE-UHFFFAOYSA-N 0 188.23 AD 1.259 0 Mild ref ADEARN N#CCC(=O)NCCc1ccccc1 CCCc1nnc(N)s1 ZINC000000127802 92/72/76/342927276 NLQURINLKRAGIF-UHFFFAOYSA-N 0 143.215 AD 1.073 0 Anodyne ref ADAARN CCCc1nnc(N)s1 Cc1cc(-c2nnc(S)o2)nn1C ZINC000000128728 92/76/76/342927676 FNLPVNYSARWYOQ-UHFFFAOYSA-N 0 196.235 AD 1.067 0 Anodyne ref ADAARN Cc1cc(C2N=NC(=S)O2)nn1C O=C(O)CCC(=O)c1ccc(F)cc1 ZINC000000128838 92/76/98/342927698 WUYWHIAAQYQKPP-UHFFFAOYSA-N -1 196.177 AD 1.873 0 Anodyne ref ADAARM O=C([O-])CCC(=O)c1ccc(F)cc1 N#CCC(=O)NCc1cccs1 ZINC000000139310 92/76/84/342927684 GNUSPUIOGRNHSX-UHFFFAOYSA-N 0 180.232 AD 1.278 0 Mild ref ADEARN N#CCC(=O)NCc1cccs1 NNc1cccc(C(F)(F)F)c1 ZINC000000139547 23/86/24/169238624 RSESUCWJKLHXEZ-UHFFFAOYSA-N 0 176.141 AD 1.991 0 Anodyne ref ADAARN NNc1cccc(C(F)(F)F)c1 N[C@H](CC(=O)O)c1ccc(F)cc1 ZINC000000140709 26/31/61/169263161 CPGFMWPQXUXQRX-MRVPVSSYSA-N 0 183.182 AD 1.3 0 Anodyne ref ADAARN [NH3+][C@H](CC(=O)[O-])c1ccc(F)cc1 N[C@@H](CC(=O)O)c1ccc(F)cc1 ZINC000000140710 24/31/15/169243115 CPGFMWPQXUXQRX-QMMMGPOBSA-N 0 183.182 AD 1.3 0 Anodyne ref ADAARN [NH3+][C@@H](CC(=O)[O-])c1ccc(F)cc1 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 Cn1c(C(=O)O)cc2ccccc21 ZINC000000142380 03/13/63/169031363 MAHAMBLNIDMREX-UHFFFAOYSA-N -1 175.187 AD 1.876 0 Anodyne ref ADAARM Cn1c(C(=O)[O-])cc2ccccc21 in-vitro biogenic COc1ccccc1/C=C/C(=O)O ZINC000000149577 27/68/61/168276861 FEGVSPGUHMGGBO-VOTSOKGWSA-N -1 178.187 AD 1.793 0 Anodyne ref ADAARM COc1ccccc1/C=C/C(=O)[O-] in-vitro biogenic COc1ccccc1CCC(=O)O ZINC000000150231 21/52/95/171215295 XSZSNLOPIWWFHS-UHFFFAOYSA-N -1 180.203 AD 1.712 0 Anodyne ref ADAARM COc1ccccc1CCC(=O)[O-] COc1cccc(OCC(=O)O)c1 ZINC000000151411 27/16/99/168271699 AHDPQRIYMMZJTF-UHFFFAOYSA-N -1 182.175 AD 1.159 0 Anodyne ref ADAARM COc1cccc(OCC(=O)[O-])c1 NCc1cccc(F)c1 ZINC000000152271 22/43/20/169224320 QVSVMNXRLWSNGS-UHFFFAOYSA-N 1 125.146 AD 1.284 0 Anodyne ref ADAARO [NH3+]Cc1cccc(F)c1 in-vitro Cc1ccsc1C(=O)O ZINC000000152287 92/82/93/342928293 IFLKEBSJTZGCJG-UHFFFAOYSA-N -1 142.179 AD 1.755 0 Anodyne ref ADAARM Cc1ccsc1C(=O)[O-] in-vitro Cc1ccc(N)c(C(=O)O)c1 ZINC000000152954 92/85/24/342928524 NBUUUJWWOARGNW-UHFFFAOYSA-N -1 151.165 AD 1.275 0 Anodyne ref ADAARM Cc1ccc(N)c(C(=O)[O-])c1 in-vitro metabolite Cc1ccc(N)c(N)c1C ZINC000000152967 82/32/02/168823202 MHQULXYNBKWNDF-UHFFFAOYSA-N 0 136.198 AD 1.468 0 Anodyne ref ADAARN Cc1ccc(N)c(N)c1C NNc1ccccc1F ZINC000000153109 23/82/69/169238269 PENWGQNPFRRVQI-UHFFFAOYSA-N 0 126.134 AD 1.111 0 Anodyne ref ADAARN NNc1ccccc1F Cc1ccc(NN)cc1C ZINC000000153203 82/69/30/168826930 ACHREEHAAAECOR-UHFFFAOYSA-N 0 136.198 AD 1.589 0 Anodyne ref ADAARN Cc1ccc(NN)cc1C