Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O ZINC000000057633 67/20/55/342672055 HCYFGRCYSCXKNQ-UHFFFAOYSA-N -1 238.203 BA -1.482 0 Anodyne ref BAAARM Cn1c(=O)c2c(ncn2CC(=O)[O-])n(C)c1=O in-man Cn1c(C=O)nc2c1c(=O)[nH]c(=O)n2C ZINC000000330380 09/97/66/188099766 CPYUSVWJDYXCEM-UHFFFAOYSA-N 0 208.177 BA -1.227 0 Anodyne ref BAAARN Cn1c(C=O)nc2c1c(=O)[nH]c(=O)n2C CNc1[nH]c(=O)n(C)c(=O)c1NC(=O)CO ZINC000000330510 85/33/55/383853355 KUMGDTSCHXAEFG-UHFFFAOYSA-N 0 228.208 BA -1.954 0 Anodyne ref BAAARN CNc1[nH]c(=O)n(C)c(=O)c1NC(=O)CO Cc1nc2c(c(=O)n(C)c(=O)n2C)[n+]([O-])c1C ZINC000000330513 06/73/92/180067392 UYOUIAMRIHTUGC-UHFFFAOYSA-N 0 236.231 BA -1.118 0 Anodyne ref BAAARN Cc1nc2c(c(=O)n(C)c(=O)n2C)[n+]([O-])c1C CNC(=O)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000000334796 28/86/59/173288659 PESRCMMSRPHGFP-UHFFFAOYSA-N -1 226.192 BA -1.857 3 Anodyne high BAAAHM CNC(=O)NC(=O)c1cn(C)c(=O)[n-]c1=O CNC(=O)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000000334796 28/86/58/173288658 PESRCMMSRPHGFP-UHFFFAOYSA-N 0 226.192 BA -1.857 0 Anodyne ref BAAARN CNC(=O)NC(=O)c1cn(C)c(=O)[nH]c1=O Cn1c(=O)c2ncc(CO)nc2n(C)c1=O ZINC000000337818 61/10/31/180611031 UQENVSPBKGJJQE-UHFFFAOYSA-N 0 222.204 BA -1.481 0 Anodyne ref BAAARN Cn1c(=O)c2ncc(CO)nc2n(C)c1=O Cn1c(N)c(NC(=O)CO)c(=O)n(C)c1=O ZINC000000967238 69/49/30/342694930 HKYAZICYQDDWMC-UHFFFAOYSA-N 0 228.208 BA -2.403 0 Anodyne ref BAAARN Cn1c(N)c(NC(=O)CO)c(=O)n(C)c1=O CC1(C)O[C@@H]([C@H](O)CO)[C@H]([C@H](O)CO)O1 ZINC000001303448 84/97/47/387849747 YCOMFYACDCWMMD-NGJRWZKOSA-N 0 222.237 BA -1.787 0 Anodyne ref BAABRN CC1(C)O[C@@H]([C@H](O)CO)[C@H]([C@H](O)CO)O1 COC(=O)CS(=O)(=O)CC(=O)OC ZINC000001560532 70/29/06/342702906 XWPWFILACZRQRM-UHFFFAOYSA-N 0 210.207 BA -1.253 0 Anodyne ref BAAARN COC(=O)CS(=O)(=O)CC(=O)OC C[C@H](O)[C@H](O)[C@@H]1CNc2[nH]c(N)nc(=O)c2N1 ZINC000002539827 01/40/13/177014013 FNKQXYHWGSIFBK-FKZODXBYSA-N -1 241.251 BA -1.7 3 Anodyne high BAAAHM C[C@H](O)[C@H](O)[C@@H]1CNc2nc(N)[n-]c(=O)c2N1 fda endogenous C[C@H](O)[C@H](O)[C@@H]1CNc2[nH]c(N)nc(=O)c2N1 ZINC000002539827 01/40/12/177014012 FNKQXYHWGSIFBK-FKZODXBYSA-N 0 241.251 BA -1.7 1 Anodyne mid BAAAMN C[C@H](O)[C@H](O)[C@@H]1CNc2nc(N)[nH]c(=O)c2N1 fda endogenous C[C@H](O)[C@H](O)[C@@H]1CNc2[nH]c(N)nc(=O)c2N1 ZINC000002539827 01/40/11/177014011 FNKQXYHWGSIFBK-FKZODXBYSA-N 0 241.251 BA -1.7 0 Anodyne ref BAAARN C[C@H](O)[C@H](O)[C@@H]1CNc2[nH]c(N)nc(=O)c2N1 fda endogenous Cn1c(N)c([N+](=O)[O-])c(=O)n(C)c1=O ZINC000003958019 62/12/52/180621252 IAAUBQWOEHOUOJ-UHFFFAOYSA-N 0 200.154 BA -1.426 0 Bother ref BABARN Cn1c(N)c([N+](=O)[O-])c(=O)n(C)c1=O Nc1nc(NCCO)c([N+](=O)[O-])c(=O)[nH]1 ZINC000004085846 75/50/14/386755014 DWVWFCGZWXPWFF-UHFFFAOYSA-N 0 215.169 BA -1.336 1 Bother mid BABAMN Nc1nc(NCCO)c([N+](=O)[O-])c(=O)[nH]1 Nc1nc(NCCO)c([N+](=O)[O-])c(=O)[nH]1 ZINC000004085846 75/50/08/386755008 DWVWFCGZWXPWFF-UHFFFAOYSA-N -1 215.169 BA -1.336 0 Bother ref BABARM Nc1nc(NCCO)c([N+](=O)[O-])c(=O)[n-]1 CN(C)n1c(N)c(N=O)c(=O)n(C)c1=O ZINC000004085862 74/19/94/342741994 PPYCKENOJXLCKJ-UHFFFAOYSA-N 0 213.197 BA -1.275 0 Anodyne ref BAAARN CN(C)n1c(N)c(N=O)c(=O)n(C)c1=O CC1(C)O[C@H]([C@H](O)CO)[C@@H]([C@H](O)CO)O1 ZINC000004088235 24/73/58/187247358 YCOMFYACDCWMMD-WCTZXXKLSA-N 0 222.237 BA -1.787 0 Anodyne ref BAAARN CC1(C)O[C@H]([C@H](O)CO)[C@@H]([C@H](O)CO)O1 COC1[C@@H](O)[C@@H](O)C(OC)[C@@H](O)[C@H]1O ZINC000004100813 03/60/11/174036011 DYQWYDODKPTUPA-IIIDFBFHSA-N 0 208.21 BA -2.526 0 Anodyne ref BAAARN COC1[C@@H](O)[C@@H](O)C(OC)[C@@H](O)[C@H]1O COC1[C@@H](O)[C@@H](O)C(OC)[C@H](O)[C@H]1O ZINC000004100816 03/63/42/174036342 DYQWYDODKPTUPA-YNJOCIMMSA-N 0 208.21 BA -2.526 0 Anodyne ref BAAARN COC1[C@@H](O)[C@@H](O)C(OC)[C@H](O)[C@H]1O COC1[C@@H](O)[C@@H](O)C(OC)[C@H](O)[C@@H]1O ZINC000004100817 03/63/98/174036398 DYQWYDODKPTUPA-WYGGENTKSA-N 0 208.21 BA -2.526 0 Anodyne ref BAAARN COC1[C@@H](O)[C@@H](O)C(OC)[C@H](O)[C@@H]1O C[C@H](O)[C@@H](O)[C@@H]1CNc2nc(N)[nH]c(=O)c2N1 ZINC000004228257 00/74/80/177007480 FNKQXYHWGSIFBK-RVJQKOHUSA-N -1 241.251 BA -1.7 3 Anodyne high BAAAHM C[C@H](O)[C@@H](O)[C@@H]1CNc2nc(N)[n-]c(=O)c2N1 fda endogenous C[C@H](O)[C@@H](O)[C@@H]1CNc2nc(N)[nH]c(=O)c2N1 ZINC000004228257 00/74/79/177007479 FNKQXYHWGSIFBK-RVJQKOHUSA-N 0 241.251 BA -1.7 1 Anodyne mid BAAAMN C[C@H](O)[C@@H](O)[C@@H]1CNc2nc(N)[nH]c(=O)c2N1 fda endogenous C[C@H](O)[C@@H](O)[C@@H]1CNc2nc(N)[nH]c(=O)c2N1 ZINC000004228257 00/74/77/177007477 FNKQXYHWGSIFBK-RVJQKOHUSA-N 0 241.251 BA -1.7 0 Anodyne ref BAAARN C[C@H](O)[C@@H](O)[C@@H]1CNc2[nH]c(N)nc(=O)c2N1 fda endogenous CNc1nc(N)[nH]c(=O)c1N(C=O)CC#N ZINC000004938765 09/20/24/384092024 LPUSRIBHPRQBIH-UHFFFAOYSA-N -1 222.208 BA -1.12 3 Mild high BAEAHM CNc1nc(N)[n-]c(=O)c1N(C=O)CC#N CNc1nc(N)[nH]c(=O)c1N(C=O)CC#N ZINC000004938765 09/20/20/384092020 LPUSRIBHPRQBIH-UHFFFAOYSA-N 0 222.208 BA -1.12 1 Mild mid BAEAMN CNc1nc(N)[nH]c(=O)c1N(C=O)CC#N CNc1nc(N)[nH]c(=O)c1N(C=O)CC#N ZINC000004938765 09/20/09/384092009 LPUSRIBHPRQBIH-UHFFFAOYSA-N 0 222.208 BA -1.12 0 Mild ref BAEARN CNc1[nH]c(N)nc(=O)c1N(C=O)CC#N O=C(O)c1nc2c(=O)[nH]c(=O)[nH]c2nc1O ZINC000008672837 80/18/34/342801834 INBMIKBNWMSDGM-UHFFFAOYSA-N -3 224.132 BA -1.59 3 Anodyne high BAAAHL O=C([O-])c1nc2c(=O)[n-]c(=O)nc-2[n-]c1O O=C(O)c1nc2c(=O)[nH]c(=O)[nH]c2nc1O ZINC000008672837 80/18/32/342801832 INBMIKBNWMSDGM-UHFFFAOYSA-N -2 224.132 BA -1.59 1 Anodyne mid BAAAML O=C([O-])c1nc2c(=O)[n-]c(=O)[nH]c2[nH]c1=O O=C(O)c1nc2c(=O)[nH]c(=O)[nH]c2nc1O ZINC000008672837 80/18/30/342801830 INBMIKBNWMSDGM-UHFFFAOYSA-N -1 224.132 BA -1.59 0 Anodyne ref BAAARM O=C([O-])c1nc2c(=O)[nH]c(=O)[nH]c2[nH]c1=O Cn1c(=O)c2ncc(=O)[nH]c2n(C)c1=O ZINC000008672839 43/26/21/358432621 ULZUYZWOTHCFEA-UHFFFAOYSA-N -1 208.177 BA -1.679 3 Anodyne high BAAAHM Cn1c(=O)c2ncc(=O)[n-]c2n(C)c1=O Cn1c(=O)c2ncc(=O)[nH]c2n(C)c1=O ZINC000008672839 43/26/16/358432616 ULZUYZWOTHCFEA-UHFFFAOYSA-N 0 208.177 BA -1.679 0 Anodyne ref BAAARN Cn1c(=O)c2ncc(=O)[nH]c2n(C)c1=O CC1(C)O[C@H]([C@@H](O)CO)[C@@H]([C@H](O)CO)O1 ZINC000012405197 27/92/65/188279265 YCOMFYACDCWMMD-ULAWRXDQSA-N 0 222.237 BA -1.787 0 Anodyne ref BAABRN CC1(C)O[C@H]([C@@H](O)CO)[C@@H]([C@H](O)CO)O1 C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1 ZINC000013585233 01/39/62/177013962 FNKQXYHWGSIFBK-RPDRRWSUSA-N -1 241.251 BA -1.7 3 Anodyne high BAAAHM C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[n-]c(=O)c2N1 fda endogenous C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1 ZINC000013585233 01/39/61/177013961 FNKQXYHWGSIFBK-RPDRRWSUSA-N 0 241.251 BA -1.7 1 Anodyne mid BAAAMN C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1 fda endogenous C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1 ZINC000013585233 01/39/58/177013958 FNKQXYHWGSIFBK-RPDRRWSUSA-N 0 241.251 BA -1.7 0 Anodyne ref BAAARN C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(N)nc(=O)c2N1 fda endogenous C[C@H](O)[C@@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1 ZINC000018059633 41/39/28/574413928 FNKQXYHWGSIFBK-MRKVFDINSA-N -1 241.251 BA -1.7 3 Anodyne high BAAAHM C[C@H](O)[C@@H](O)[C@H]1CNc2nc(N)[n-]c(=O)c2N1 world endogenous C[C@H](O)[C@@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1 ZINC000018059633 41/39/27/574413927 FNKQXYHWGSIFBK-MRKVFDINSA-N 0 241.251 BA -1.7 1 Anodyne mid BAAAMN C[C@H](O)[C@@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1 world endogenous C[C@H](O)[C@@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1 ZINC000018059633 41/39/26/574413926 FNKQXYHWGSIFBK-MRKVFDINSA-N 0 241.251 BA -1.7 0 Anodyne ref BAAARN C[C@H](O)[C@@H](O)[C@H]1CNc2[nH]c(N)nc(=O)c2N1 world endogenous CC1(C)O[C@@H]([C@H](O)CO)[C@@H]([C@H](O)CO)O1 ZINC000018143032 50/80/59/188508059 YCOMFYACDCWMMD-XUTVFYLZSA-N 0 222.237 BA -1.787 0 Anodyne ref BAABRN CC1(C)O[C@@H]([C@H](O)CO)[C@@H]([C@H](O)CO)O1 COC1[C@@H](O)[C@H](O)C(OC)[C@H](O)[C@@H]1O ZINC000018270605 03/61/68/174036168 DYQWYDODKPTUPA-ZLTRQQRMSA-N 0 208.21 BA -2.526 0 Anodyne ref BAAARN COC1[C@@H](O)[C@H](O)C(OC)[C@H](O)[C@@H]1O Cn1c(=O)c2nc(C=O)c(O)nc2n(C)c1=O ZINC000100713968 65/17/87/384651787 LVJCGSZYPTZSMO-UHFFFAOYSA-N -1 236.187 BA -1.455 3 Anodyne high BAAAHM Cn1c(=O)c2nc(C=O)c([O-])nc2n(C)c1=O in-vitro Cn1c(=O)c2nc(C=O)c(O)nc2n(C)c1=O ZINC000100713968 65/17/83/384651783 LVJCGSZYPTZSMO-UHFFFAOYSA-N -1 236.187 BA -1.455 3 Anodyne high BAAAHM Cn1c(=O)c2nc(C=O)c(=O)[n-]c2n(C)c1=O in-vitro Cn1c(=O)c2nc(C=O)c(O)nc2n(C)c1=O ZINC000100713968 65/17/74/384651774 LVJCGSZYPTZSMO-UHFFFAOYSA-N 0 236.187 BA -1.455 3 Anodyne high BAAAHN Cn1c(=O)c2nc(C=O)c(O)nc2n(C)c1=O in-vitro Cn1c(=O)c2nc(C=O)c(O)nc2n(C)c1=O ZINC000100713968 65/17/70/384651770 LVJCGSZYPTZSMO-UHFFFAOYSA-N 0 236.187 BA -1.455 0 Anodyne ref BAAARN Cn1c(=O)c2nc(C=O)c(=O)[nH]c2n(C)c1=O in-vitro CC1(C)O[C@@H]([C@@H](O)CO)[C@@H]([C@H](O)CO)O1 ZINC000100750064 85/08/70/387850870 YCOMFYACDCWMMD-KVFPUHGPSA-N 0 222.237 BA -1.787 0 Anodyne ref BAABRN CC1(C)O[C@@H]([C@@H](O)CO)[C@@H]([C@H](O)CO)O1 CO[C@H]1[C@H](O)[C@H](O)[C@@H](OC)[C@H](O)[C@H]1O ZINC000167103496 90/75/50/174907550 DYQWYDODKPTUPA-CUYQCCFGSA-N 0 208.21 BA -2.526 0 Anodyne ref BAAARN CO[C@H]1[C@H](O)[C@H](O)[C@@H](OC)[C@H](O)[C@H]1O COC(=O)C(C(=O)OC)=C1NCCN1 ZINC000238361210 47/17/38/386471738 YVXYTNHJYFWMFM-UHFFFAOYSA-N 0 200.194 BA -1.263 0 Anodyne ref BAAARN COC(=O)C(C(=O)OC)=C1NCCN1 CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](OC)[C@@H](O)[C@H]1O ZINC000239562581 93/73/53/387937353 DYQWYDODKPTUPA-COPVUAKWSA-N 0 208.21 BA -2.526 0 Anodyne ref BAAARN CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](OC)[C@@H](O)[C@H]1O CO[C@H]1[C@@H](O)[C@H](O)[C@@H](OC)[C@H](O)[C@@H]1O ZINC000239562582 82/95/53/384829553 DYQWYDODKPTUPA-FWRBPFIFSA-N 0 208.21 BA -2.526 0 Anodyne ref BAAARN CO[C@H]1[C@@H](O)[C@H](O)[C@@H](OC)[C@H](O)[C@@H]1O