O=C(O)[C@@H](O)c1ccccc1 ZINC000000000036 34/57/67/169345767 IWYDHOAUDWTVEP-ZETCQYMHSA-N -1 152.149 AC 0.805 0 Anodyne ref ACAARM O=C([O-])[C@@H](O)c1ccccc1 in-man endogenous C=C(C)C(=O)OC[C@@H]1CO1 ZINC000000000345 11/36/38/166113638 VOZRXNHHFUQHIL-LURJTMIESA-N 0 142.154 AC 0.504 0 Mild ref ACEARN C=C(C)C(=O)OC[C@@H]1CO1 in-vitro COc1ccccc1OC[C@H](O)CO ZINC000000000353 92/37/58/342923758 HSRJKNPTNIJEKV-MRVPVSSYSA-N 0 198.218 AC 0.427 0 Anodyne ref ACAARN COc1ccccc1OC[C@H](O)CO fda biogenic NC[C@@H](O)c1ccc(O)cc1 ZINC000000000558 20/48/97/169204897 QHGUCRYDKWKLMG-MRVPVSSYSA-N 1 153.181 AC 0.384 0 Anodyne ref ACAARO [NH3+]C[C@@H](O)c1ccc(O)cc1 world biogenic Cc1ncc([N+](=O)[O-])n1C[C@@H](C)O ZINC000000000711 92/38/19/342923819 KPQZUUQMTUIKBP-RXMQYKEDSA-N 0 185.183 AC 0.481 0 Bother ref ACBARN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)O world CNC[C@@H](O)c1ccc(O)cc1 ZINC000000000733 00/64/68/168006468 YRCWQPVGYLYSOX-SECBINFHSA-N 1 167.208 AC 0.645 0 Anodyne ref ACAARO C[NH2+]C[C@@H](O)c1ccc(O)cc1 world endogenous 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 O=C(O)c1cc(O)ccc1O ZINC000000001507 35/63/61/169356361 WXTMDXOMEHJXQO-UHFFFAOYSA-N -1 154.121 AC 0.796 0 Anodyne ref ACAARM O=C([O-])c1cc(O)ccc1O in-man endogenous 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 COC(=O)c1cccnc1 ZINC000000001706 13/33/80/168133380 YNBADRVTZLEFNH-UHFFFAOYSA-N 0 137.138 AC 0.868 0 Anodyne ref ACAARN COC(=O)c1cccnc1 in-man endogenous O=C(O)c1ccc[n+]([O-])c1 ZINC000000001872 20/61/91/171206191 FJCFFCXMEXZEIM-UHFFFAOYSA-N -1 139.11 AC 0.018 0 Anodyne ref ACAARM O=C([O-])c1ccc[n+]([O-])c1 world N=C(O)c1cnccn1 ZINC000000002005 14/31/58/169143158 IPEHBUMCGVEMRF-UHFFFAOYSA-N 0 123.115 AC 0.36 0 Anodyne ref ACAARN NC(=O)c1cnccn1 fda metabolite NC(=O)c1ccccc1O ZINC000000002055 92/36/57/342923657 SKZKKFZAGNVIMN-UHFFFAOYSA-N -1 137.138 AC 0.491 3 Anodyne high ACAAHM NC(=O)c1ccccc1[O-] fda NC(=O)c1ccccc1O ZINC000000002055 92/36/56/342923656 SKZKKFZAGNVIMN-UHFFFAOYSA-N 0 137.138 AC 0.491 0 Anodyne ref ACAARN NC(=O)c1ccccc1O fda NCCc1ccc(O)cc1 ZINC000000002233 19/76/02/169197602 DZGWFCGJZKJUFP-UHFFFAOYSA-N 1 137.182 AC 0.893 0 Anodyne ref ACAARO [NH3+]CCc1ccc(O)cc1 world endogenous NS(=O)(=O)c1ccc(Cl)cc1 ZINC000000004726 24/09/44/169240944 HHHDJHHNEURCNV-UHFFFAOYSA-N 0 191.639 AC 0.987 0 Anodyne ref ACAARN NS(=O)(=O)c1ccc(Cl)cc1 world O=C(O)c1ccc(C(=O)O)nc1 ZINC000000005284 35/74/81/169357481 LVPMIMZXDYBCDF-UHFFFAOYSA-N -2 167.12 AC 0.478 0 Anodyne ref ACAARL O=C([O-])c1ccc(C(=O)[O-])nc1 in-vitro NC(=O)c1cccnc1 ZINC000000005878 92/36/67/342923667 DFPAKSUCGFBDDF-UHFFFAOYSA-N 0 122.127 AC 0.181 0 Anodyne ref ACAARN NC(=O)c1cccnc1 fda endogenous NCc1ccccn1 ZINC000000011050 22/47/53/169224753 WOXFMYVTSLAQMO-UHFFFAOYSA-N 0 108.144 AC 0.54 3 Anodyne high ACAAHN NCc1ccccn1 in-vitro NCc1ccccn1 ZINC000000011050 22/47/52/169224752 WOXFMYVTSLAQMO-UHFFFAOYSA-N 1 108.144 AC 0.54 0 Anodyne ref ACAARO [NH3+]Cc1ccccn1 in-vitro O=C(O)c1ccc(O)c(O)c1 ZINC000000013246 35/83/59/169358359 YQUVCSBJEUQKSH-UHFFFAOYSA-N -1 154.121 AC 0.796 0 Clean ref ACCARM O=C([O-])c1ccc(O)c(O)c1 in-man endogenous COC(=O)c1cc(O)c(O)c(O)c1 ZINC000000021789 12/88/36/168128836 FBSFWRHWHYMIOG-UHFFFAOYSA-N -1 184.147 AC 0.59 3 Clean high ACCAHM COC(=O)c1cc(O)c([O-])c(O)c1 in-vitro biogenic COC(=O)c1cc(O)c(O)c(O)c1 ZINC000000021789 12/88/33/168128833 FBSFWRHWHYMIOG-UHFFFAOYSA-N 0 184.147 AC 0.59 0 Clean ref ACCARN COC(=O)c1cc(O)c(O)c(O)c1 in-vitro biogenic NCCc1ccc(O)c(O)c1 ZINC000000033882 19/81/66/169198166 VYFYYTLLBUKUHU-UHFFFAOYSA-N 1 153.181 AC 0.599 0 Clean ref ACCARO [NH3+]CCc1ccc(O)c(O)c1 fda endogenous N[C@H](C(=O)O)[C@@H](O)c1ccccc1 ZINC000000034161 26/27/02/169262702 VHVGNTVUSQUXPS-YUMQZZPRSA-N -1 181.191 AC 0.132 3 Anodyne high ACAAHM N[C@H](C(=O)[O-])[C@@H](O)c1ccccc1 in-man endogenous N[C@H](C(=O)O)[C@@H](O)c1ccccc1 ZINC000000034161 26/27/01/169262701 VHVGNTVUSQUXPS-YUMQZZPRSA-N 0 181.191 AC 0.132 0 Anodyne ref ACAARN [NH3+][C@H](C(=O)[O-])[C@@H](O)c1ccccc1 in-man endogenous N[C@H](C(=O)O)[C@H](O)c1ccccc1 ZINC000000034162 26/19/49/169261949 VHVGNTVUSQUXPS-JGVFFNPUSA-N -1 181.191 AC 0.132 3 Anodyne high ACAAHM N[C@H](C(=O)[O-])[C@H](O)c1ccccc1 in-man endogenous N[C@H](C(=O)O)[C@H](O)c1ccccc1 ZINC000000034162 26/19/48/169261948 VHVGNTVUSQUXPS-JGVFFNPUSA-N 0 181.191 AC 0.132 0 Anodyne ref ACAARN [NH3+][C@H](C(=O)[O-])[C@H](O)c1ccccc1 in-man endogenous N[C@@H](C(=O)O)[C@@H](O)c1ccccc1 ZINC000000034163 24/23/80/169242380 VHVGNTVUSQUXPS-SFYZADRCSA-N -1 181.191 AC 0.132 3 Anodyne high ACAAHM N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1 in-vitro biogenic N[C@@H](C(=O)O)[C@@H](O)c1ccccc1 ZINC000000034163 24/23/78/169242378 VHVGNTVUSQUXPS-SFYZADRCSA-N 0 181.191 AC 0.132 0 Anodyne ref ACAARN [NH3+][C@@H](C(=O)[O-])[C@@H](O)c1ccccc1 in-vitro biogenic N[C@@H](C(=O)O)[C@H](O)c1ccccc1 ZINC000000034164 24/25/33/169242533 VHVGNTVUSQUXPS-HTQZYQBOSA-N -1 181.191 AC 0.132 3 Anodyne high ACAAHM N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1 in-vitro biogenic N[C@@H](C(=O)O)[C@H](O)c1ccccc1 ZINC000000034164 24/25/32/169242532 VHVGNTVUSQUXPS-HTQZYQBOSA-N 0 181.191 AC 0.132 0 Anodyne ref ACAARN [NH3+][C@@H](C(=O)[O-])[C@H](O)c1ccccc1 in-vitro biogenic O=C(O)C[C@@H](C(=O)O)[C@@H]1CCCO1 ZINC000000035479 34/22/89/169342289 YPTJQLHSRLXMCY-RITPCOANSA-N -2 188.179 AC 0.341 0 Anodyne ref ACAARL O=C([O-])C[C@@H](C(=O)[O-])[C@@H]1CCCO1 O=C(O)C[C@H](C(=O)O)[C@@H]1CCCO1 ZINC000000035481 34/32/51/169343251 YPTJQLHSRLXMCY-WDSKDSINSA-N -2 188.179 AC 0.341 0 Anodyne ref ACAARL O=C([O-])C[C@H](C(=O)[O-])[C@@H]1CCCO1 O=C(O)C[C@H](C(=O)O)[C@H]1CCCO1 ZINC000000035482 34/29/73/169342973 YPTJQLHSRLXMCY-NTSWFWBYSA-N -2 188.179 AC 0.341 0 Anodyne ref ACAARL O=C([O-])C[C@H](C(=O)[O-])[C@H]1CCCO1 CCOC(=O)Cc1csc(N)n1 ZINC000000035856 34/02/73/167340273 SHQNGLYXRFCPGZ-UHFFFAOYSA-N 0 186.236 AC 0.831 0 Anodyne ref ACAARN CCOC(=O)Cc1csc(N)n1 Cc1cc(=O)oc(C)c1C(=O)O ZINC000000036422 92/46/27/342924627 QOADIMYPCZMZSG-UHFFFAOYSA-N -1 168.148 AC 0.955 0 Anodyne ref ACAARM Cc1cc(=O)oc(C)c1C(=O)[O-] O=C(O)c1ccc(-n2cnnn2)cc1 ZINC000000036461 35/78/82/169357882 DNFUQGMGGZFYPL-UHFFFAOYSA-N -1 190.162 AC 0.36 0 Anodyne ref ACAARM O=C([O-])c1ccc(-n2cnnn2)cc1 N=C(N)c1ccccc1 ZINC000000036634 14/13/19/169141319 PXXJHWLDUBFPOL-UHFFFAOYSA-N 1 120.155 AC 0.971 0 Anodyne ref ACAARO NC(=[NH2+])c1ccccc1 in-vivo CNC[C@H](O)c1ccc(O)c(O)c1 ZINC000000039089 01/32/76/168013276 UCTWMZQNUQWSLP-VIFPVBQESA-N 1 183.207 AC 0.351 0 Clean ref ACCARO C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 fda endogenous CNC[C@@H](O)c1ccc(O)c(O)c1 ZINC000000039090 00/67/86/168006786 UCTWMZQNUQWSLP-SECBINFHSA-N 1 183.207 AC 0.351 0 Clean ref ACCARO C[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 investigational biogenic Cc1n[nH]c(C)c1N ZINC000000039481 92/45/42/342924542 LNVWRBNPXCUYJI-UHFFFAOYSA-N 0 111.148 AC 0.609 0 Anodyne ref ACAARN Cc1n[nH]c(C)c1N Cc1cc(C)n2nc(C(=O)O)nc2n1 ZINC000000039681 92/46/07/342924607 LIVBNPDDJKFYDF-UHFFFAOYSA-N -1 192.178 AC 0.439 0 Anodyne ref ACAARM Cc1cc(C)n2nc(C(=O)[O-])nc2n1 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 O=C(O)c1ccccn1 ZINC000000039905 92/46/40/342924640 SIOXPEMLGUPBBT-UHFFFAOYSA-N -1 123.111 AC 0.78 0 Anodyne ref ACAARM O=C([O-])c1ccccn1 in-man endogenous OCn1cnc2ccccc21 ZINC000000043480 26/85/75/351268575 IWCRZZKSGBFRSJ-UHFFFAOYSA-N 0 148.165 AC 0.986 0 Anodyne ref ACAARN OCn1cnc2ccccc21 in-vitro 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 Nc1ccccc1C(=O)O ZINC000000047985 29/82/29/169298229 RWZYAGGXGHYGMB-UHFFFAOYSA-N -1 137.138 AC 0.967 0 Anodyne ref ACAARM Nc1ccccc1C(=O)[O-] in-man metabolite Cc1ncc(CO)c(CO)c1O ZINC000000049154 96/61/56/168966156 LXNHXLLTXMVWPM-UHFFFAOYSA-N 0 169.18 AC 0.08 0 Anodyne ref ACAARN Cc1ncc(CO)c(CO)c1O fda endogenous O=c1cccc2n1C[C@H]1CNC[C@@H]2C1 ZINC000000049583 26/84/91/351268491 ANJTVLIZGCUXLD-BDAKNGLRSA-N 1 190.246 AC 0.555 0 Anodyne ref ACAARO O=c1cccc2n1C[C@H]1C[NH2+]C[C@@H]2C1 world biogenic C[C@H]1CN(C)[C@H](C)CC1=O ZINC000000050696 92/49/51/342924951 VQHHMWWQNKUPKH-NKWVEPMBSA-N 0 141.214 AC 0.916 1 Anodyne mid ACAAMN C[C@H]1CN(C)[C@H](C)CC1=O C[C@H]1CN(C)[C@H](C)CC1=O ZINC000000050696 92/49/49/342924949 VQHHMWWQNKUPKH-NKWVEPMBSA-N 0 141.214 AC 0.916 1 Anodyne mid ACAAMN C[C@H]1C[N@@H+](C)[C@H](C)CC1=O C[C@H]1CN(C)[C@H](C)CC1=O ZINC000000050696 92/49/47/342924947 VQHHMWWQNKUPKH-NKWVEPMBSA-N 1 141.214 AC 0.916 0 Anodyne ref ACAARO C[C@H]1C[N@H+](C)[C@H](C)CC1=O 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 NC(=O)c1ccccc1OCC(=O)O ZINC000000051262 92/49/60/342924960 RLISWLLILOTWGG-UHFFFAOYSA-N -1 195.174 AC 0.249 0 Anodyne ref ACAARM NC(=O)c1ccccc1OCC(=O)[O-] in-man Nc1ccc2c(c1)C(=O)NC2=O ZINC000000052615 29/50/62/169295062 PXRKCOCTEMYUEG-UHFFFAOYSA-N -1 162.148 AC 0.152 3 Anodyne high ACAAHM Nc1ccc2c(c1)C(=O)[N-]C2=O Nc1ccc2c(c1)C(=O)NC2=O ZINC000000052615 29/50/61/169295061 PXRKCOCTEMYUEG-UHFFFAOYSA-N 0 162.148 AC 0.152 0 Anodyne ref ACAARN Nc1ccc2c(c1)C(=O)NC2=O Nc1ccc(OCC(=O)O)cc1 ZINC000000052866 29/22/58/169292258 GIFGMEWQGDEWKB-UHFFFAOYSA-N -1 167.164 AC 0.732 0 Clean ref ACCARM Nc1ccc(OCC(=O)[O-])cc1 O=C(O)[C@@H]1COc2ccccc2O1 ZINC000000054811 34/88/91/169348891 HMBHAQMOBKLWRX-QMMMGPOBSA-N -1 180.159 AC 0.911 0 Anodyne ref ACAARM O=C([O-])[C@@H]1COc2ccccc2O1 in-vitro O=C(O)[C@H]1COc2ccccc2O1 ZINC000000054812 35/36/40/169353640 HMBHAQMOBKLWRX-MRVPVSSYSA-N -1 180.159 AC 0.911 0 Anodyne ref ACAARM O=C([O-])[C@H]1COc2ccccc2O1 in-vitro Cc1cc2c(=O)n(N)c(C)nc2s1 ZINC000000059003 78/43/93/168784393 PSLGAMKWMYXUSC-UHFFFAOYSA-N 0 195.247 AC 0.789 0 Anodyne ref ACAARN Cc1cc2c(=O)n(N)c(C)nc2s1 Cc1n[nH]c(C)c1CN ZINC000000064910 92/52/92/342925292 YJVZLKBKPGYLJW-UHFFFAOYSA-N 0 125.175 AC 0.485 3 Anodyne high ACAAHN Cc1n[nH]c(C)c1CN Cc1n[nH]c(C)c1CN ZINC000000064910 92/52/89/342925289 YJVZLKBKPGYLJW-UHFFFAOYSA-N 1 125.175 AC 0.485 0 Anodyne ref ACAARO Cc1n[nH]c(C)c1C[NH3+] Nc1cccc2c1C(=O)NC2=O ZINC000000066148 29/76/66/169297666 GQBONCZDJQXPLV-UHFFFAOYSA-N -1 162.148 AC 0.152 3 Anodyne high ACAAHM Nc1cccc2c1C(=O)[N-]C2=O Nc1cccc2c1C(=O)NC2=O ZINC000000066148 29/76/64/169297664 GQBONCZDJQXPLV-UHFFFAOYSA-N 0 162.148 AC 0.152 0 Anodyne ref ACAARN Nc1cccc2c1C(=O)NC2=O Cc1cc(C)n(CC(=O)O)n1 ZINC000000070386 92/58/09/342925809 JYSWEDYPQJOEPO-UHFFFAOYSA-N -1 154.169 AC 0.585 0 Anodyne ref ACAARM Cc1cc(C)n(CC(=O)[O-])n1 N#Cc1nc[nH]c1C#N ZINC000000090751 92/64/65/342926465 XGDRLCRGKUCBQL-UHFFFAOYSA-N -1 118.099 AC 0.153 3 Mild high ACEAHM N#Cc1nc[n-]c1C#N N#Cc1nc[nH]c1C#N ZINC000000090751 92/64/62/342926462 XGDRLCRGKUCBQL-UHFFFAOYSA-N 0 118.099 AC 0.153 0 Mild ref ACEARN N#Cc1nc[nH]c1C#N COc1ncccc1C(=O)O ZINC000000096049 28/87/33/168288733 FTEZJSXSARPZHJ-UHFFFAOYSA-N -1 153.137 AC 0.788 0 Anodyne ref ACAARM COc1ncccc1C(=O)[O-] 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[C@@]12CCCC[C@@H]1CNCC2 ZINC000000103395 27/06/79/351270679 JCCPJOSXNCXEPE-RKDXNWHRSA-N 1 155.241 AC 0.901 0 Anodyne ref ACAARO O[C@@]12CCCC[C@@H]1C[NH2+]CC2 O=C(O)c1cccc(C(=O)O)n1 ZINC000000105246 20/67/42/171206742 WJJMNDUMQPNECX-UHFFFAOYSA-N -1 167.12 AC 0.478 2 Anodyne low ACAALM O=C([O-])c1cccc(C(=O)[O-])[nH+]1 world endogenous O=C(O)c1cccc(C(=O)O)n1 ZINC000000105246 20/67/38/171206738 WJJMNDUMQPNECX-UHFFFAOYSA-N -2 167.12 AC 0.478 0 Anodyne ref ACAARL O=C([O-])c1cccc(C(=O)[O-])n1 world endogenous O=C(O)[C@H]1Cc2ccccc2CN1 ZINC000000105273 35/43/71/169354371 BWKMGYQJPOAASG-SECBINFHSA-N 0 177.203 AC 0.786 0 Anodyne ref ACAARN O=C([O-])[C@H]1Cc2ccccc2C[NH2+]1 in-vitro biogenic O=C(O)c1ccncc1C(=O)O ZINC000000105344 35/94/56/169359456 MUYSADWCWFFZKR-UHFFFAOYSA-N -2 167.12 AC 0.478 0 Anodyne ref ACAARL O=C([O-])c1ccncc1C(=O)[O-] in-vitro Cn1cc(C=O)cn1 ZINC000000109495 03/85/12/169038512 MYFZXSOYJVWTBL-UHFFFAOYSA-N 0 110.116 AC 0.233 0 Anodyne ref ACAARN Cn1cc(C=O)cn1 CNC[C@H](O)c1cccc(O)c1 ZINC000000113355 01/30/31/168013031 SONNWYBIRXJNDC-VIFPVBQESA-N 1 167.208 AC 0.645 0 Anodyne ref ACAARO C[NH2+]C[C@H](O)c1cccc(O)c1 fda biogenic CNC[C@@H](O)c1cccc(O)c1 ZINC000000113359 00/76/49/168007649 SONNWYBIRXJNDC-SECBINFHSA-N 1 167.208 AC 0.645 0 Anodyne ref ACAARO C[NH2+]C[C@@H](O)c1cccc(O)c1 in-man biogenic CC(C)(S)[C@@H](N)C(=O)O ZINC000000114127 27/07/19/351270719 VVNCNSJFMMFHPL-VKHMYHEASA-N 0 149.215 AC 0.107 0 Mild ref ACEARN CC(C)(S)[C@@H]([NH3+])C(=O)[O-] fda metabolite CC(=O)c1ccc(-n2cnnn2)cc1 ZINC000000114163 32/18/28/166321828 QRBRBXFYBWGBPP-UHFFFAOYSA-N 0 188.19 AC 0.865 0 Anodyne ref ACAARN CC(=O)c1ccc(-n2cnnn2)cc1 Clc1ccc(N2CCOCC2)nn1 ZINC000000115178 17/84/51/132178451 QDXCFLKGKSWHMI-UHFFFAOYSA-N 0 199.641 AC 0.967 0 Anodyne ref ACAARN Clc1ccc(N2CCOCC2)nn1 NC1(C(=O)O)CCCCC1 ZINC000000116197 16/92/31/169169231 WOXWUZCRWJWTRT-UHFFFAOYSA-N 0 143.186 AC 0.733 0 Anodyne ref ACAARN [NH3+]C1(C(=O)[O-])CCCCC1 in-vitro NC[C@@H](O)c1cccc(O)c1 ZINC000000119283 20/47/92/169204792 LRCXRAABFLIVAI-MRVPVSSYSA-N 1 153.181 AC 0.384 0 Anodyne ref ACAARO [NH3+]C[C@@H](O)c1cccc(O)c1 in-man NC[C@H](O)c1cccc(O)c1 ZINC000000119286 21/41/32/169214132 LRCXRAABFLIVAI-QMMMGPOBSA-N 1 153.181 AC 0.384 0 Anodyne ref ACAARO [NH3+]C[C@H](O)c1cccc(O)c1 in-man Nc1ccc(C(=O)NCC(=O)O)cc1 ZINC000000119344 29/13/42/169291342 HSMNQINEKMPTIC-UHFFFAOYSA-N -1 194.19 AC 0.083 0 Anodyne ref ACAARM Nc1ccc(C(=O)NCC(=O)[O-])cc1 fda endogenous Cc1ncc(CO)c(C=O)c1O ZINC000000120249 92/72/27/342927227 RADKZDMFGJYCBB-UHFFFAOYSA-N -1 167.164 AC 0.4 1 Anodyne mid ACAAMM Cc1ncc(CO)c(C=O)c1[O-] world endogenous Cc1ncc(CO)c(C=O)c1O ZINC000000120249 92/72/26/342927226 RADKZDMFGJYCBB-UHFFFAOYSA-N 0 167.164 AC 0.4 0 Anodyne ref ACAARN Cc1ncc(CO)c(C=O)c1O world endogenous CCn1nc(C)cc1C(=O)O ZINC000000120520 80/92/71/167809271 VFMGOJUUTAPPDA-UHFFFAOYSA-N -1 154.169 AC 0.91 0 Anodyne ref ACAARM CCn1nc(C)cc1C(=O)[O-] Cc1cn(C)c(CC(=O)O)c1C(=O)O ZINC000000120541 92/71/95/342927195 FASPXTNRUAOAGU-UHFFFAOYSA-N -2 197.19 AC 0.659 0 Anodyne ref ACAARL Cc1cn(C)c(CC(=O)[O-])c1C(=O)[O-] Cn1cccc1C=O ZINC000000130187 04/97/89/169049789 OUKQTRFCDKSEPL-UHFFFAOYSA-N 0 109.128 AC 0.838 0 Anodyne ref ACAARN Cn1cccc1C=O in-man endogenous COc1ccc(OC[C@H](O)CN)cc1 ZINC000000134403 25/66/68/168256668 KFQPRNVTVMCYEH-MRVPVSSYSA-N 1 197.234 AC 0.394 0 Anodyne ref ACAARO COc1ccc(OC[C@H](O)C[NH3+])cc1 COc1ccc(OC[C@@H](O)CN)cc1 ZINC000000134405 25/68/14/168256814 KFQPRNVTVMCYEH-QMMMGPOBSA-N 1 197.234 AC 0.394 0 Anodyne ref ACAARO COc1ccc(OC[C@@H](O)C[NH3+])cc1 CC(=O)N[C@@H](CC(C)C)C(=O)O ZINC000000135384 27/86/56/166278656 WXNXCEHXYPACJF-ZETCQYMHSA-N -1 173.212 AC 0.622 0 Anodyne ref ACAARM CC(=O)N[C@@H](CC(C)C)C(=O)[O-] world endogenous O=c1c2ccccc2nc2n1CCO2 ZINC000000135602 99/16/28/170991628 QBEBJBXQJGORQQ-UHFFFAOYSA-N 0 188.186 AC 0.789 0 Anodyne ref ACAARN O=c1c2ccccc2nc2n1CCO2 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 Nc1ccc(C(=O)O)cc1N ZINC000000136437 29/17/01/169291701 HEMGYNNCNNODNX-UHFFFAOYSA-N -1 152.153 AC 0.549 0 Anodyne ref ACAARM Nc1ccc(C(=O)[O-])cc1N Cc1cc(C)nc(NN)n1 ZINC000000139160 92/76/86/342927686 PHTHKSNCQCCOHM-UHFFFAOYSA-N 1 138.174 AC 0.379 0 Anodyne ref ACAARO Cc1cc(C)[nH+]c(NN)n1 N#Cc1cccnc1N1CCNCC1 ZINC000000148271 17/85/35/132178535 QSMNQUURWIAXAA-UHFFFAOYSA-N 0 188.234 AC 0.363 3 Mild high ACEAHN N#Cc1cccnc1N1CCNCC1 in-vitro