O=C(O)c1cc(O)c(O)c(O)c1 ZINC000000001504 35/68/86/169356886 LNTHITQWFMADLM-UHFFFAOYSA-N -1 170.12 AC 0.502 0 Clean ref ACCARM O=C([O-])c1cc(O)c(O)c(O)c1 world metabolite Nc1ccc(O)c(C(=O)O)c1 ZINC000000001688 29/33/23/169293323 KBOPZPXVLCULAV-UHFFFAOYSA-N 0 153.137 AC 0.673 2 Anodyne low ACAALN [NH3+]c1ccc(O)c(C(=O)[O-])c1 fda Nc1ccc(O)c(C(=O)O)c1 ZINC000000001688 29/33/21/169293321 KBOPZPXVLCULAV-UHFFFAOYSA-N -1 153.137 AC 0.673 0 Anodyne ref ACAARM Nc1ccc(O)c(C(=O)[O-])c1 fda C1CCc2nnnn2CC1 ZINC000000001905 09/39/48/166093948 CWRVKFFCRWGWCS-UHFFFAOYSA-N 0 138.174 AC 0.399 0 Anodyne ref ACAARN C1CCc2nnnn2CC1 in-man NCc1cccnc1 ZINC000000001944 22/63/45/169226345 HDOUGSFASVGDCS-UHFFFAOYSA-N 0 108.144 AC 0.54 3 Anodyne high ACAAHN NCc1cccnc1 world NCc1cccnc1 ZINC000000001944 22/63/43/169226343 HDOUGSFASVGDCS-UHFFFAOYSA-N 1 108.144 AC 0.54 0 Anodyne ref ACAARO [NH3+]Cc1cccnc1 world CNC(=O)c1cccc(N)c1 ZINC000000039702 92/46/25/342924625 PYDQTASEULDNRL-UHFFFAOYSA-N 0 150.181 AC 0.628 0 Anodyne ref ACAARN CNC(=O)c1cccc(N)c1 Cc1cc(C)n(N)c(=O)c1C#N ZINC000000047784 92/48/67/342924867 IOUFHSGKGXNGDO-UHFFFAOYSA-N 0 163.18 AC 0.051 0 Mild ref ACEARN Cc1cc(C)n(N)c(=O)c1C#N O=C(O)CNc1ccccc1C(=O)O ZINC000000050907 21/50/15/171215015 PJUXPMVQAZLJEX-UHFFFAOYSA-N -2 195.174 AC 0.881 0 Anodyne ref ACAARL O=C([O-])CNc1ccccc1C(=O)[O-] in-vitro O=C(O)COc1ccccc1O ZINC000000070785 34/17/01/169341701 LPXHPAYRONCQIF-UHFFFAOYSA-N -1 168.148 AC 0.856 0 Anodyne ref ACAARM O=C([O-])COc1ccccc1O O=C1c2ccccc2C(=O)N1O ZINC000000098179 39/38/92/169393892 CFMZSMGAMPBRBE-UHFFFAOYSA-N -1 163.132 AC 0.672 1 Mild mid ACEAMM O=C1c2ccccc2C(=O)N1[O-] O=C1c2ccccc2C(=O)N1O ZINC000000098179 39/38/90/169393890 CFMZSMGAMPBRBE-UHFFFAOYSA-N 0 163.132 AC 0.672 0 Mild ref ACEARN O=C1c2ccccc2C(=O)N1O O=C1NC(=O)c2cc([N+](=O)[O-])ccc21 ZINC000000105138 38/51/19/169385119 ANYWGXDASKQYAD-UHFFFAOYSA-N -1 192.13 AC 0.478 1 Bother mid ACBAMM O=C1[N-]C(=O)c2cc([N+](=O)[O-])ccc21 O=C1NC(=O)c2cc([N+](=O)[O-])ccc21 ZINC000000105138 38/51/18/169385118 ANYWGXDASKQYAD-UHFFFAOYSA-N 0 192.13 AC 0.478 0 Bother ref ACBARN O=C1NC(=O)c2cc([N+](=O)[O-])ccc21 Cc1ncc([N+](=O)[O-])n1CCO ZINC000000113442 96/78/54/168967854 VAOCPAMSLUNLGC-UHFFFAOYSA-N 0 171.156 AC 0.092 0 Bother ref ACBARN Cc1ncc([N+](=O)[O-])n1CCO fda CNC(=O)c1ccc(N)cc1 ZINC000000136207 92/76/68/342927668 XAGFYNSCWICYPA-UHFFFAOYSA-N 0 150.181 AC 0.628 0 Anodyne ref ACAARN CNC(=O)c1ccc(N)cc1 COC(=O)CCC(=O)O ZINC000000152993 08/49/61/168084961 JDRMYOQETPMYQX-UHFFFAOYSA-N -1 132.115 AC 0.024 0 Anodyne ref ACAARM COC(=O)CCC(=O)[O-] in-vitro biogenic NC(=O)c1cccc(N)c1 ZINC000000157165 99/21/12/170992112 GSCPDZHWVNUUFI-UHFFFAOYSA-N 0 136.154 AC 0.368 0 Anodyne ref ACAARN NC(=O)c1cccc(N)c1 in-vivo CN1[C@H]2CC[C@@H]1CC(O)C2 ZINC000000158421 92/92/61/342929261 CYHOMWAPJJPNMW-DHBOJHSNSA-N 1 141.214 AC 0.604 1 Anodyne mid ACAAMO C[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 in-vitro biogenic CN1[C@H]2CC[C@@H]1CC(O)C2 ZINC000000158421 92/92/60/342929260 CYHOMWAPJJPNMW-DHBOJHSNSA-N 1 141.214 AC 0.604 0 Anodyne ref ACAARO C[N@@H+]1[C@H]2CC[C@@H]1CC(O)C2 in-vitro biogenic Cc1cc(C(=O)O)no1 ZINC000000158679 92/97/60/342929760 BNMPIJWVMVNSRD-UHFFFAOYSA-N -1 127.099 AC 0.681 0 Anodyne ref ACAARM Cc1cc(C(=O)[O-])no1 in-vitro CCOC(=O)CC#N ZINC000000164473 32/73/14/167327314 ZIUSEGSNTOUIPT-UHFFFAOYSA-N 0 113.116 AC 0.463 0 Mild ref ACEARN CCOC(=O)CC#N O=C(c1ccco1)N1CCNCC1 ZINC000000236148 36/34/92/169363492 SADPINFEWFPMEA-UHFFFAOYSA-N 0 180.207 AC 0.325 1 Anodyne mid ACAAMN O=C(c1ccco1)N1CCNCC1 O=C(c1ccco1)N1CCNCC1 ZINC000000236148 36/34/91/169363491 SADPINFEWFPMEA-UHFFFAOYSA-N 1 180.207 AC 0.325 0 Anodyne ref ACAARO O=C(c1ccco1)N1CC[NH2+]CC1 COc1ncnc2c1N=C(N)CS2 ZINC000000246100 28/73/67/168287367 BSYNHAHDUKAHAL-UHFFFAOYSA-N 0 196.235 AC 0.58 0 Anodyne ref ACAARN COc1ncnc2c1NC(=N)CS2 O=C(O)CCC(=O)N1CCCCC1 ZINC000000294579 99/35/60/170993560 SMBUFGWVLVTFDO-UHFFFAOYSA-N -1 185.223 AC 0.864 0 Anodyne ref ACAARM O=C([O-])CCC(=O)N1CCCCC1 CNC(=O)c1ccccc1N ZINC000000294877 97/53/28/167975328 KIMWOULVHFLJIU-UHFFFAOYSA-N 0 150.181 AC 0.628 0 Anodyne ref ACAARN CNC(=O)c1ccccc1N in-vitro CC(=O)NNC(=O)c1ccccc1O ZINC000000304974 17/77/79/560177779 VDACCTGBJAMTDN-UHFFFAOYSA-N -1 194.19 AC 0.173 3 Reactive high ACGAHM CC(=O)NNC(=O)c1ccccc1[O-] in-vitro CC(=O)NNC(=O)c1ccccc1O ZINC000000304974 17/77/76/560177776 VDACCTGBJAMTDN-UHFFFAOYSA-N 0 194.19 AC 0.173 0 Reactive ref ACGARN CC(=O)NNC(=O)c1ccccc1O in-vitro Nc1ccc2[nH]c(=O)oc2c1 ZINC000000347252 99/43/81/170994381 STLPJYGZOIEDAJ-UHFFFAOYSA-N 0 150.137 AC 0.703 0 Anodyne ref ACAARN Nc1ccc2[nH]c(=O)oc2c1 O=CN1CCCCC1 ZINC000000388699 39/83/92/169398392 FEWLNYSYJNLUOO-UHFFFAOYSA-N 0 113.16 AC 0.629 0 Anodyne ref ACAARN O=CN1CCCCC1 in-man endogenous OCc1ccc(O)cc1 ZINC000000388762 43/86/16/169438616 BVJSUAQZOZWCKN-UHFFFAOYSA-N 0 124.139 AC 0.885 0 Anodyne ref ACAARN OCc1ccc(O)cc1 in-man endogenous Cc1cc(C(=O)O)on1 ZINC000000389129 93/60/39/342936039 HXIYCKAAQPHZBM-UHFFFAOYSA-N -1 127.099 AC 0.681 0 Anodyne ref ACAARM Cc1cc(C(=O)[O-])on1 CC(C)(O)C(C)(C)O ZINC000000391890 40/76/72/166407672 IVDFJHOHABJVEH-UHFFFAOYSA-N 0 118.176 AC 0.528 0 Anodyne ref ACAARN CC(C)(O)C(C)(C)O in-vitro CNC(=O)C(C)(C)C ZINC000000396168 93/77/22/342937722 QMKKJBRRKIKWFK-UHFFFAOYSA-N 0 115.176 AC 0.778 0 Anodyne ref ACAARN CNC(=O)C(C)(C)C in-vitro O=CNc1ccccc1C(=O)O ZINC000000396530 39/95/74/169399574 LLLPDUXGHXIXIW-UHFFFAOYSA-N -1 165.148 AC 0.953 0 Anodyne ref ACAARM O=CNc1ccccc1C(=O)[O-] in-man endogenous O=C(O)CCC(=O)N1CCCC1 ZINC000000397852 14/23/43/229142343 ADSJBLXBDQWPHY-UHFFFAOYSA-N -1 171.196 AC 0.474 0 Anodyne ref ACAARM O=C([O-])CCC(=O)N1CCCC1 OC[C@@H]1CCCN1CC1CC1 ZINC000000556217 28/22/79/351282279 VVPQQGSILHUAQR-VIFPVBQESA-N 1 155.241 AC 0.853 1 Anodyne mid ACAAMO OC[C@@H]1CCC[N@H+]1CC1CC1 OC[C@@H]1CCCN1CC1CC1 ZINC000000556217 28/22/71/351282271 VVPQQGSILHUAQR-VIFPVBQESA-N 1 155.241 AC 0.853 0 Anodyne ref ACAARO OC[C@@H]1CCC[N@@H+]1CC1CC1 C[C@@H]1CCC[C@H](C(=O)O)N1 ZINC000000712025 42/72/00/168427200 IHLDCUQUFBWSJU-PHDIDXHHSA-N 0 143.186 AC 0.602 0 Anodyne ref ACAARN C[C@@H]1CCC[C@H](C(=O)[O-])[NH2+]1 CN(C)C(=O)c1ccc(N)cc1 ZINC000000873888 82/91/02/167829102 QEPGWLBMAAEBCP-UHFFFAOYSA-N 0 164.208 AC 0.971 0 Anodyne ref ACAARN CN(C)C(=O)c1ccc(N)cc1 Cn1ccnc1C=O ZINC000001069169 05/16/96/169051696 UEBFLTZXUXZPJO-UHFFFAOYSA-N 0 110.116 AC 0.233 0 Anodyne ref ACAARN Cn1ccnc1C=O CC(=O)N1C(=O)C(=O)c2ccccc21 ZINC000001529372 25/56/22/166255622 LPGDEHBASRKTDG-UHFFFAOYSA-N 0 189.17 AC 0.762 0 Anodyne ref ACAARN CC(=O)N1C(=O)C(=O)c2ccccc21 in-vitro CCOC(=O)C(=O)[C@@H]1CCCCC1=O ZINC000001587903 32/30/61/167323061 SIQOFNOENHOIFT-SSDOTTSWSA-N 0 198.218 AC 0.878 1 Anodyne mid ACAAMN CCOC(=O)C(O)=C1CCCCC1=O CCOC(=O)C(=O)[C@@H]1CCCCC1=O ZINC000001587903 32/30/57/167323057 SIQOFNOENHOIFT-SSDOTTSWSA-N 0 198.218 AC 0.878 0 Anodyne ref ACAARN CCOC(=O)C(=O)[C@@H]1CCCCC1=O CCNC[C@H]1CCCO1 ZINC000001632713 27/39/20/167273920 HLSDMLXXPIEJFI-SSDOTTSWSA-N 1 129.203 AC 0.775 0 Anodyne ref ACAARO CC[NH2+]C[C@H]1CCCO1 O=S(=O)(O)c1cc(O)ccc1O ZINC000001663856 41/21/09/169412109 IKQCSJBQLWJEPU-UHFFFAOYSA-N -1 190.176 AC 0.344 0 Anodyne ref ACAARM O=S(=O)([O-])c1cc(O)ccc1O in-man CN(C)C(=O)c1cccc(N)c1 ZINC000001669210 95/59/26/342955926 LZPLRAXAVPPVSX-UHFFFAOYSA-N 0 164.208 AC 0.971 0 Anodyne ref ACAARN CN(C)C(=O)c1cccc(N)c1 C=CCNCCC#N ZINC000001672494 18/66/27/166186627 QACOAACFEMBVFZ-UHFFFAOYSA-N 1 110.16 AC 0.676 1 Mild mid ACEAMO C=CC[NH2+]CCC#N C=CCNCCC#N ZINC000001672494 18/66/24/166186624 QACOAACFEMBVFZ-UHFFFAOYSA-N 0 110.16 AC 0.676 0 Mild ref ACEARN C=CCNCCC#N COCCOC(=O)CCC(=O)O ZINC000001687977 16/99/67/168169967 CKCOHXVHUGFEHI-UHFFFAOYSA-N -1 176.168 AC 0.041 0 Anodyne ref ACAARM COCCOC(=O)CCC(=O)[O-] CN1CCC(=O)CC1 ZINC000001693920 95/94/66/342959466 HUUPVABNAQUEJW-UHFFFAOYSA-N 1 113.16 AC 0.281 1 Anodyne mid ACAAMO C[NH+]1CCC(=O)CC1 in-vitro CN1CCC(=O)CC1 ZINC000001693920 95/94/63/342959463 HUUPVABNAQUEJW-UHFFFAOYSA-N 0 113.16 AC 0.281 0 Anodyne ref ACAARN CN1CCC(=O)CC1 in-vitro CC(C)OCCCO ZINC000001755959 96/36/99/342963699 GBSGXZBOFKJGMG-UHFFFAOYSA-N 0 118.176 AC 0.794 0 Anodyne ref ACAARN CC(C)OCCCO CCOC(=O)CCC(=O)O ZINC000002004473 32/98/40/167329840 LOLKAJARZKDJTD-UHFFFAOYSA-N -1 146.142 AC 0.414 0 Anodyne ref ACAARM CCOC(=O)CCC(=O)[O-] in-vitro metabolite CCN(CC)C[C@@H]1CO1 ZINC000002044102 17/12/17/167171217 SBIDUCNDVPSWQT-SSDOTTSWSA-N 1 129.203 AC 0.727 0 Mild ref ACEARO CC[NH+](CC)C[C@@H]1CO1 C[C@H]1CCC[C@@H](C(=O)O)N1 ZINC000002139141 96/96/26/342969626 IHLDCUQUFBWSJU-WDSKDSINSA-N 0 143.186 AC 0.602 0 Anodyne ref ACAARN C[C@H]1CCC[C@@H](C(=O)[O-])[NH2+]1 CCNC[C@@H]1CCCO1 ZINC000002170194 27/25/72/167272572 HLSDMLXXPIEJFI-ZETCQYMHSA-N 1 129.203 AC 0.775 0 Anodyne ref ACAARO CC[NH2+]C[C@@H]1CCCO1 NC(=O)CCNCc1ccccc1 ZINC000002273624 14/94/43/169149443 GGJZFUWYCGSBCO-UHFFFAOYSA-N 0 178.235 AC 0.652 3 Anodyne high ACAAHN NC(=O)CCNCc1ccccc1 NC(=O)CCNCc1ccccc1 ZINC000002273624 14/94/41/169149441 GGJZFUWYCGSBCO-UHFFFAOYSA-N 1 178.235 AC 0.652 0 Anodyne ref ACAARO NC(=O)CC[NH2+]Cc1ccccc1 CO[C@H](C)C(=O)O ZINC000002382888 21/21/03/168212103 ICPWFHKNYYRBSZ-GSVOUGTGSA-N -1 104.105 AC 0.106 0 Anodyne ref ACAARM CO[C@H](C)C(=O)[O-] CO[C@@H](C)C(=O)O ZINC000002382894 00/53/84/171005384 ICPWFHKNYYRBSZ-VKHMYHEASA-N -1 104.105 AC 0.106 0 Anodyne ref ACAARM CO[C@@H](C)C(=O)[O-] in-vitro O=C(C1CCNCC1)N1CCCCC1 ZINC000002513492 31/73/60/169317360 JFHHGGAQABVJIF-UHFFFAOYSA-N 1 196.294 AC 0.998 0 Anodyne ref ACAARO O=C(C1CC[NH2+]CC1)N1CCCCC1 COCCNC(=O)c1ccc(N)cc1 ZINC000002513535 16/56/82/168165682 XWLTXNUHPJFIJM-UHFFFAOYSA-N 0 194.234 AC 0.645 0 Anodyne ref ACAARN COCCNC(=O)c1ccc(N)cc1 OCCNCc1ccc(F)cc1 ZINC000002533906 31/01/04/351310104 KWEPMOQQKUYWIN-UHFFFAOYSA-N 0 169.199 AC 0.908 3 Anodyne high ACAAHN OCCNCc1ccc(F)cc1 OCCNCc1ccc(F)cc1 ZINC000002533906 31/01/01/351310101 KWEPMOQQKUYWIN-UHFFFAOYSA-N 1 169.199 AC 0.908 0 Anodyne ref ACAARO OCC[NH2+]Cc1ccc(F)cc1 NC(=O)CCNCCc1ccccc1 ZINC000002568906 14/95/66/169149566 MGFDDFHJSUZRFK-UHFFFAOYSA-N 1 192.262 AC 0.694 0 Anodyne ref ACAARO NC(=O)CC[NH2+]CCc1ccccc1 CC(C)CC(=O)N1CCNCC1 ZINC000002578523 00/83/59/171008359 OHUHHACSCXRQJS-UHFFFAOYSA-N 0 170.256 AC 0.464 1 Anodyne mid ACAAMN CC(C)CC(=O)N1CCNCC1 CC(C)CC(=O)N1CCNCC1 ZINC000002578523 00/83/57/171008357 OHUHHACSCXRQJS-UHFFFAOYSA-N 1 170.256 AC 0.464 0 Anodyne ref ACAARO CC(C)CC(=O)N1CC[NH2+]CC1 NCCCn1cccn1 ZINC000002584854 18/70/91/169187091 JSXVMXHCFBPCLV-UHFFFAOYSA-N 1 125.175 AC 0.232 0 Anodyne ref ACAARO [NH3+]CCCn1cccn1 CC(=O)OCC[N+](C)(C)C ZINC000003079336 41/19/45/574411945 OIPILFWXSMYKGL-UHFFFAOYSA-N 1 146.21 AC 0.256 0 Bother ref ACBARO CC(=O)OCC[N+](C)(C)C fda endogenous Cc1cc(CO)n[nH]1 ZINC000003851840 98/51/63/342985163 SYDSMFCVIJNHEN-UHFFFAOYSA-N 0 112.132 AC 0.21 1 Anodyne mid ACAAMN Cc1cc(CO)[nH]n1 Cc1cc(CO)n[nH]1 ZINC000003851840 98/51/61/342985161 SYDSMFCVIJNHEN-UHFFFAOYSA-N 0 112.132 AC 0.21 0 Anodyne ref ACAARN Cc1cc(CO)n[nH]1 C/C(=C/C(=O)O)C(=O)O ZINC000003860287 04/75/65/166047565 HNEGQIOMVPPMNR-IHWYPQMZSA-N -2 130.099 AC 0.102 0 Anodyne ref ACAARL C/C(=C/C(=O)[O-])C(=O)[O-] in-man endogenous CCOC(=O)/C=C/C(=O)O ZINC000003861006 31/78/63/167317863 XLYMOEINVGRTEX-ONEGZZNKSA-N -1 144.126 AC 0.19 0 Anodyne ref ACAARM CCOC(=O)/C=C/C(=O)[O-] in-vitro Cc1cc(C(=O)O)n[nH]1 ZINC000003982495 98/65/06/342986506 WSMQKESQZFQMFW-UHFFFAOYSA-N -1 126.115 AC 0.416 0 Anodyne ref ACAARM Cc1cc(C(=O)[O-])n[nH]1 in-vitro C[C@H]1CCC[C@H](C(=O)O)N1 ZINC000004015911 61/18/11/168611811 IHLDCUQUFBWSJU-NTSWFWBYSA-N 0 143.186 AC 0.602 0 Anodyne ref ACAARN C[C@H]1CCC[C@H](C(=O)[O-])[NH2+]1 C[C@@H]1CCC[C@@H](C(=O)O)N1 ZINC000004015912 32/39/22/351323922 IHLDCUQUFBWSJU-RITPCOANSA-N 0 143.186 AC 0.602 0 Anodyne ref ACAARN C[C@@H]1CCC[C@@H](C(=O)[O-])[NH2+]1 CCN(CC)C[C@H]1CO1 ZINC000004206515 16/96/72/167169672 SBIDUCNDVPSWQT-ZETCQYMHSA-N 1 129.203 AC 0.727 0 Mild ref ACEARO CC[NH+](CC)C[C@H]1CO1 CN1CCC(=NO)CC1 ZINC000004218811 98/88/47/342988847 PMWKIHOURGCZOJ-UHFFFAOYSA-N 0 128.175 AC 0.542 3 Mild high ACEAHN CN1CCC(=NO)CC1 CN1CCC(=NO)CC1 ZINC000004218811 98/88/45/342988845 PMWKIHOURGCZOJ-UHFFFAOYSA-N 1 128.175 AC 0.542 0 Mild ref ACEARO C[NH+]1CCC(=NO)CC1 COC1=NCCC1 ZINC000004268437 14/59/92/168145992 QYGNDKJRRNVSEC-UHFFFAOYSA-N 0 99.133 AC 0.825 0 Anodyne ref ACAARN COC1=NCCC1 NC(=O)CCNCc1ccco1 ZINC000004345417 14/96/21/169149621 HOJDEFJNISXNEY-UHFFFAOYSA-N 0 168.196 AC 0.245 1 Anodyne mid ACAAMN NC(=O)CCNCc1ccco1 NC(=O)CCNCc1ccco1 ZINC000004345417 14/96/19/169149619 HOJDEFJNISXNEY-UHFFFAOYSA-N 1 168.196 AC 0.245 0 Anodyne ref ACAARO NC(=O)CC[NH2+]Cc1ccco1 CSC(=N)N ZINC000004676170 29/62/95/168296295 SDDKIZNHOCEXTF-UHFFFAOYSA-N 1 90.151 AC 0.243 0 Anodyne ref ACAARO CSC(N)=[NH2+] in-vitro Nc1nc2c(c(C(=O)O)n1)CCCC2 ZINC000005134053 30/67/43/169306743 VRWCLZQPQNNJAU-UHFFFAOYSA-N -1 193.206 AC 0.636 0 Anodyne ref ACAARM Nc1nc2c(c(C(=O)[O-])n1)CCCC2 OCCOC[C@H]1CCCO1 ZINC000005134450 33/95/52/351339552 CTPDSKVQLSDPLC-SSDOTTSWSA-N 0 146.186 AC 0.174 0 Anodyne ref ACAARN OCCOC[C@H]1CCCO1 OCCOC[C@@H]1CCCO1 ZINC000005134653 33/98/89/351339889 CTPDSKVQLSDPLC-ZETCQYMHSA-N 0 146.186 AC 0.174 0 Anodyne ref ACAARN OCCOC[C@@H]1CCCO1 COCCNC(=O)C(C)(C)C ZINC000005283901 16/41/98/168164198 ZKFNBDAVVGLYMI-UHFFFAOYSA-N 0 159.229 AC 0.795 0 Anodyne ref ACAARN COCCNC(=O)C(C)(C)C O[C@H]1COc2ccccc2O1 ZINC000005517652 34/49/93/351344993 XPLAHBQULJNNLX-MRVPVSSYSA-N 0 152.149 AC 0.776 0 Anodyne ref ACAARN O[C@H]1COc2ccccc2O1 O[C@@H]1COc2ccccc2O1 ZINC000005517657 34/55/34/351345534 XPLAHBQULJNNLX-QMMMGPOBSA-N 0 152.149 AC 0.776 0 Anodyne ref ACAARN O[C@@H]1COc2ccccc2O1 OC[C@H]1CCCN1CC1CC1 ZINC000005816960 61/96/79/371619679 VVPQQGSILHUAQR-SECBINFHSA-N 1 155.241 AC 0.853 1 Anodyne mid ACAAMO OC[C@H]1CCC[N@H+]1CC1CC1 OC[C@H]1CCCN1CC1CC1 ZINC000005816960 61/96/69/371619669 VVPQQGSILHUAQR-SECBINFHSA-N 1 155.241 AC 0.853 0 Anodyne ref ACAARO OC[C@H]1CCC[N@@H+]1CC1CC1 NC(=S)NNc1ccccc1 ZINC000005933796 16/60/28/169166028 JDXKTOBMLZLCSB-UHFFFAOYSA-N 0 167.237 AC 0.847 0 Anodyne ref ACAARN NC(=S)NNc1ccccc1 Nc1ccccc1C(=O)NCCCO ZINC000006276718 29/88/82/169298882 YDFGUFMCWYGPJV-UHFFFAOYSA-N 0 194.234 AC 0.381 0 Anodyne ref ACAARN Nc1ccccc1C(=O)NCCCO COC(=O)COc1ccc(N)cc1 ZINC000006288160 09/40/76/168094076 YDWPOGYTJVQQIL-UHFFFAOYSA-N 0 181.191 AC 0.821 0 Clean ref ACCARN COC(=O)COc1ccc(N)cc1 O=C(O)O ZINC000006827693 34/48/35/169344835 BVKZGUZCCUSVTD-UHFFFAOYSA-N 0 62.024 AC 0.222 2 Anodyne low ACAALN O=C(O)O fda endogenous O=C(O)O ZINC000006827693 34/48/33/169344833 BVKZGUZCCUSVTD-UHFFFAOYSA-N -1 62.024 AC 0.222 0 Anodyne ref ACAARM O=C([O-])O fda endogenous CN(C)C(=O)c1ccccc1N ZINC000006871404 82/90/42/167829042 DPXIIVXPZPOINE-UHFFFAOYSA-N 0 164.208 AC 0.971 0 Anodyne ref ACAARN CN(C)C(=O)c1ccccc1N Cc1cc(C)c(C#N)c(=O)[nH]1 ZINC000008615639 01/90/22/343019022 OCYMJCILWYHKAU-UHFFFAOYSA-N -1 148.165 AC 0.863 1 Mild mid ACEAMM Cc1cc(C)c(C#N)c(=O)[n-]1