OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F ZINC000000004009 82/03/16/304820316 RFHAOTPXVQNOHP-UHFFFAOYSA-N 0 306.276 DC 0.736 0 Anodyne ref DCAARN OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F fda CC(C)n1c(Br)nc2c1c(=O)n(C)c(=O)n2C ZINC000000093619 08/15/04/276081504 OYOSTJSOFBEGON-UHFFFAOYSA-N 0 301.144 DC 0.777 0 Anodyne ref DCAARN CC(C)n1c(Br)nc2c1c(=O)n(C)c(=O)n2C CS(=O)(=O)CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O ZINC000000206322 50/54/72/295505472 LHFMZTWTJXSQGK-JTQLQIEISA-N -1 311.315 DC 0.17 0 Anodyne ref DCAARM CS(=O)(=O)CC[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O CS(=O)(=O)CC[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O ZINC000000206323 68/00/65/395680065 LHFMZTWTJXSQGK-SNVBAGLBSA-N -1 311.315 DC 0.17 0 Anodyne ref DCAARM CS(=O)(=O)CC[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O NC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=O)CC1 ZINC000000484994 12/54/72/415125472 IMRLJPWEXHEVDF-UHFFFAOYSA-N 0 300.318 DC 0.209 0 Anodyne ref DCAARN NC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=O)CC1 O=Cc1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O ZINC000000532597 02/99/28/285029928 CDRNEASQBFJLAH-UHFFFAOYSA-N 0 315.329 DC 0.85 0 Anodyne ref DCAARN O=Cc1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O COC(=O)C[C@@H]1C(=O)N[C@@H]2CCCC[C@H]2N1C(=O)CCl ZINC000000536500 68/05/34/395680534 WMSZAZJMNQNIFY-OPRDCNLKSA-N 0 302.758 DC 0.426 0 Anodyne ref DCAARN COC(=O)C[C@@H]1C(=O)N[C@@H]2CCCC[C@H]2N1C(=O)CCl CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 ZINC000001530621 12/61/65/415126165 IAVUPMFITXYVAF-XPUUQOCRSA-N 1 324.449 DC 0.612 1 Anodyne mid DCAAMO CC[NH2+][C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 fda CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 ZINC000001530621 12/61/48/415126148 IAVUPMFITXYVAF-XPUUQOCRSA-N 0 324.449 DC 0.612 0 Anodyne ref DCAARN CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 fda COC(=O)[C@H](C)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O ZINC000002112973 68/12/47/395681247 VFSGAXLCYJEFEL-TUAOUCFPSA-N 0 319.361 DC 0.538 0 Anodyne ref DCAARN COC(=O)[C@H](C)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O CSCC[C@H](N)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O ZINC000002147377 60/47/30/295604730 ZMSKGTWYKHTIRQ-AGIUHOORSA-N 0 321.446 DC 0.874 3 Anodyne high DCAAHN CSCC[C@H](N)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O CSCC[C@H](N)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O ZINC000002147377 60/47/29/295604729 ZMSKGTWYKHTIRQ-AGIUHOORSA-N 1 321.446 DC 0.874 0 Anodyne ref DCAARO CSCC[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O CCn1ncc(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)c1C ZINC000002538905 93/31/33/180933133 CAWIBQKNCMGPNV-JTQLQIEISA-N -1 301.368 DC 0.697 0 Anodyne ref DCAARM CCn1ncc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)c1C COC(=O)c1ccn(CSc2nnc(C(F)(F)F)n2N)n1 ZINC000002554030 93/47/25/180934725 XLGAUXYTSPJOCL-UHFFFAOYSA-N 0 322.272 DC 0.744 0 Anodyne ref DCAARN COC(=O)c1ccn(CSc2nnc(C(F)(F)F)n2N)n1 COC(=O)c1ccn(CSc2nnc(C(F)F)n2N)n1 ZINC000002554080 68/16/04/395681604 YABKWAWBXJVBHE-UHFFFAOYSA-N 0 304.282 DC 0.662 0 Anodyne ref DCAARN COC(=O)c1ccn(CSc2nnc(C(F)F)n2N)n1 CCn1ncc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)c1C ZINC000002731924 94/98/57/180949857 CAWIBQKNCMGPNV-SNVBAGLBSA-N -1 301.368 DC 0.697 0 Anodyne ref DCAARM CCn1ncc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c1C CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H](O)C2 ZINC000003197739 68/22/26/395682226 WTQYWNWRJNXDEG-RBZJEDDUSA-N 0 305.374 DC 0.902 3 Anodyne high DCAAHN CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H](O)C2 investigational biogenic CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H](O)C2 ZINC000003197739 68/22/25/395682225 WTQYWNWRJNXDEG-RBZJEDDUSA-N 1 305.374 DC 0.902 1 Anodyne mid DCAAMO C[N@H+]1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H](O)C2 investigational biogenic CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H](O)C2 ZINC000003197739 68/22/24/395682224 WTQYWNWRJNXDEG-RBZJEDDUSA-N 0 305.374 DC 0.902 0 Anodyne ref DCAARN C[N@@H+]1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H](O)C2 investigational biogenic CC(=O)Nc1ccc(S(=O)(=O)NCCCC(=O)O)cc1 ZINC000003269047 68/23/92/395682392 OUVNEDIUOZRZKP-UHFFFAOYSA-N -1 300.336 DC 0.788 0 Anodyne ref DCAARM CC(=O)Nc1ccc(S(=O)(=O)NCCCC(=O)[O-])cc1 O=C(C1CCNCC1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O ZINC000003882103 56/04/28/303560428 VIVZVNQFGWIOBQ-OCCSQVGLSA-N 1 301.39 DC 0.794 0 Anodyne ref DCAARO O=C(C1CC[NH2+]CC1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O CC(C)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)CC1 ZINC000003882699 12/95/45/415129545 WPMPUQODTSAUIV-UMPJEAMMSA-N -1 320.389 DC 0.726 3 Anodyne high DCAAHM CC(C)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)CC1 CC(C)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)CC1 ZINC000003882699 12/95/33/415129533 WPMPUQODTSAUIV-UMPJEAMMSA-N 0 320.389 DC 0.726 0 Anodyne ref DCAARN CC(C)[NH+]1CCC(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)CC1 CC(C)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)CC1 ZINC000003882700 12/81/43/415128143 WPMPUQODTSAUIV-VMUDFCTBSA-N -1 320.389 DC 0.726 3 Anodyne high DCAAHM CC(C)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)CC1 CC(C)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)CC1 ZINC000003882700 12/81/37/415128137 WPMPUQODTSAUIV-VMUDFCTBSA-N 0 320.389 DC 0.726 0 Anodyne ref DCAARN CC(C)[NH+]1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)CC1 CC(C)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@H]4C2=O)CC1 ZINC000003882701 12/79/91/415127991 WPMPUQODTSAUIV-XJIUQZFPSA-N -1 320.389 DC 0.726 3 Anodyne high DCAAHM CC(C)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@H]4C2=O)CC1 CC(C)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@H]4C2=O)CC1 ZINC000003882701 12/79/80/415127980 WPMPUQODTSAUIV-XJIUQZFPSA-N 0 320.389 DC 0.726 0 Anodyne ref DCAARN CC(C)[NH+]1CCC(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@H]4C2=O)CC1 CC(C)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)CC1 ZINC000003882702 12/86/82/415128682 WPMPUQODTSAUIV-VWPFQQQWSA-N -1 320.389 DC 0.726 3 Anodyne high DCAAHM CC(C)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@H]4C2=O)CC1 CC(C)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)CC1 ZINC000003882702 12/86/77/415128677 WPMPUQODTSAUIV-VWPFQQQWSA-N 0 320.389 DC 0.726 0 Anodyne ref DCAARN CC(C)[NH+]1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@H]4C2=O)CC1 O=C(O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 ZINC000003882722 21/18/36/304211836 SLPZEBLBIJOIBQ-QZDOHJIMSA-N -1 315.281 DC 0.786 0 Anodyne ref DCAARM O=C([O-])[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 O=C(O)[C@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 ZINC000003882723 16/03/19/304160319 SLPZEBLBIJOIBQ-XNIJJKJLSA-N -1 315.281 DC 0.786 0 Anodyne ref DCAARM O=C([O-])[C@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 O=C(O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 ZINC000003882724 21/19/41/304211941 SLPZEBLBIJOIBQ-QOFRNUMZSA-N -1 315.281 DC 0.786 0 Anodyne ref DCAARM O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 O=C(O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 ZINC000003882725 16/03/33/304160333 SLPZEBLBIJOIBQ-YGSHXTJESA-N -1 315.281 DC 0.786 0 Anodyne ref DCAARM O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 CC(C)(C)C(=O)NC(=O)C[C@H](NC(=O)C(C)(C)C)C(=O)O ZINC000003882973 05/23/49/181052349 AAPZCKKQRNKCKE-QMMMGPOBSA-N -1 300.355 DC 0.681 0 Anodyne ref DCAARM CC(C)(C)C(=O)NC(=O)C[C@H](NC(=O)C(C)(C)C)C(=O)[O-] CC(C)(C)C(=O)NC(=O)C[C@@H](NC(=O)C(C)(C)C)C(=O)O ZINC000003882974 05/23/39/181052339 AAPZCKKQRNKCKE-MRVPVSSYSA-N -1 300.355 DC 0.681 0 Anodyne ref DCAARM CC(C)(C)C(=O)NC(=O)C[C@@H](NC(=O)C(C)(C)C)C(=O)[O-] COC(=O)CNC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O ZINC000004029749 08/94/57/291089457 WAUNCKRTTQLCCN-MNOVXSKESA-N 0 305.334 DC 0.15 0 Anodyne ref DCAARN COC(=O)CNC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O C[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)O ZINC000004046689 14/02/56/299140256 JAARVQDZUJVXQE-AXFHLTTASA-N -1 305.334 DC 0.45 0 Anodyne ref DCAARM C[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)[O-] CCn1ncc(S(=O)(=O)N2CCC(C(=O)O)CC2)c1C ZINC000004294530 09/35/40/181093540 SFTHHJOKHDTDIK-UHFFFAOYSA-N -1 301.368 DC 0.697 0 Anodyne ref DCAARM CCn1ncc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1C Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)O)CC1 ZINC000004294531 09/36/42/181093642 KVQQYFCIAYGISQ-UHFFFAOYSA-N -1 301.368 DC 0.522 0 Anodyne ref DCAARM Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)[O-])CC1 O=C(O)CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000004501910 11/59/12/181115912 HEXADDRAWPRQIP-UHFFFAOYSA-N 0 320.345 DC 0.924 2 Anodyne low DCAALN O=C([O-])CCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 O=C(O)CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000004501910 11/59/11/181115911 HEXADDRAWPRQIP-UHFFFAOYSA-N -1 320.345 DC 0.924 0 Anodyne ref DCAARM O=C([O-])CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 COc1ccc2[nH]cc(CCn3c(N)cc(=O)[nH]c3=O)c2c1 ZINC000005267387 22/40/85/181224085 ZXMAHGZEAHKOMM-UHFFFAOYSA-N 0 300.318 DC 0.851 0 Anodyne ref DCAARN COc1ccc2[nH]cc(CCn3c(N)cc(=O)[nH]c3=O)c2c1 CCN1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O ZINC000006645466 25/41/70/285254170 VFTQFIAOSCQNOF-GUYIQFIESA-N -1 306.362 DC 0.337 3 Anodyne high DCAAHM CCN1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O CCN1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O ZINC000006645466 25/41/66/285254166 VFTQFIAOSCQNOF-GUYIQFIESA-N 0 306.362 DC 0.337 1 Anodyne mid DCAAMN CC[N@H+]1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O CCN1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O ZINC000006645466 25/41/60/285254160 VFTQFIAOSCQNOF-GUYIQFIESA-N 0 306.362 DC 0.337 0 Anodyne ref DCAARN CC[N@@H+]1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O CCn1cc(C(=O)NCC(=O)O)c(=O)c2cc3c(cc21)OCO3 ZINC000006645556 36/43/97/181364397 YSOKVLTWXDZSLT-UHFFFAOYSA-N -1 318.285 DC 0.564 0 Anodyne ref DCAARM CCn1cc(C(=O)NCC(=O)[O-])c(=O)c2cc3c(cc21)OCO3 CN(C)C(=O)Cn1nc(Br)nc1Br ZINC000008296457 54/47/80/181544780 WDMPMEACARKKGD-UHFFFAOYSA-N 0 311.965 DC 0.891 0 Anodyne ref DCAARN CN(C)C(=O)Cn1nc(Br)nc1Br O=C(O)CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000008765469 68/49/09/395684909 RKVIQLDRKRRNBM-VIFPVBQESA-N -1 306.274 DC 0.7 0 Anodyne ref DCAARM O=C([O-])CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O O=C(C1CCNCC1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 ZINC000016026482 56/05/54/303560554 VIVZVNQFGWIOBQ-GXTWGEPZSA-N 1 301.39 DC 0.794 0 Anodyne ref DCAARO O=C(C1CC[NH2+]CC1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 COC(=O)CNC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 ZINC000016040737 08/94/76/291089476 WAUNCKRTTQLCCN-WDEREUQCSA-N 0 305.334 DC 0.15 0 Anodyne ref DCAARN COC(=O)CNC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 Cc1nn(-c2nnn(CC(=O)O)n2)c(C)c1Br ZINC000036559193 82/72/03/182827203 XOJFWPMHDNHNJM-UHFFFAOYSA-N -1 301.104 DC 0.323 0 Anodyne ref DCAARM Cc1nn(-c2nnn(CC(=O)[O-])n2)c(C)c1Br O=C(O)c1ccc2c(c1)C(=O)N([C@@H]1CCS(=O)(=O)C1)C2=O ZINC000037295660 25/17/37/304251737 IABZZPAAVQPBGD-MRVPVSSYSA-N -1 309.299 DC 0.168 0 Anodyne ref DCAARM O=C([O-])c1ccc2c(c1)C(=O)N([C@@H]1CCS(=O)(=O)C1)C2=O O=C(O)c1ccc2c(c1)C(=O)N([C@H]1CCS(=O)(=O)C1)C2=O ZINC000037295662 25/17/99/304251799 IABZZPAAVQPBGD-QMMMGPOBSA-N -1 309.299 DC 0.168 0 Anodyne ref DCAARM O=C([O-])c1ccc2c(c1)C(=O)N([C@H]1CCS(=O)(=O)C1)C2=O COc1cc(N)c(-c2nnn(CCCC(=O)O)n2)cc1OC ZINC000044965580 46/80/57/183468057 KWDZYTYVPNWNAT-UHFFFAOYSA-N -1 307.31 DC 0.804 0 Anodyne ref DCAARM COc1cc(N)c(-c2nnn(CCCC(=O)[O-])n2)cc1OC O=C(O)[C@H]1[C@H]2C=C[C@]3(CN(CCCn4ccnc4)C(=O)[C@H]13)O2 ZINC000045202183 24/39/46/415243946 HNARYFHSHQGQAZ-OXJKWZBOSA-N 0 303.318 DC 0.14 2 Anodyne low DCABLN O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(CCCn4cc[nH+]c4)C(=O)[C@H]13)O2 O=C(O)[C@H]1[C@H]2C=C[C@]3(CN(CCCn4ccnc4)C(=O)[C@H]13)O2 ZINC000045202183 24/39/32/415243932 HNARYFHSHQGQAZ-OXJKWZBOSA-N -1 303.318 DC 0.14 0 Anodyne ref DCABRM O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(CCCn4ccnc4)C(=O)[C@H]13)O2 O=C(O)[C@@H]1[C@H]2C=C[C@]3(CN(CCCn4ccnc4)C(=O)[C@H]13)O2 ZINC000045202186 24/40/86/415244086 HNARYFHSHQGQAZ-MCYUEQNJSA-N 0 303.318 DC 0.14 2 Anodyne low DCABLN O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(CCCn4cc[nH+]c4)C(=O)[C@H]13)O2 O=C(O)[C@@H]1[C@H]2C=C[C@]3(CN(CCCn4ccnc4)C(=O)[C@H]13)O2 ZINC000045202186 24/40/79/415244079 HNARYFHSHQGQAZ-MCYUEQNJSA-N -1 303.318 DC 0.14 0 Anodyne ref DCABRM O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(CCCn4ccnc4)C(=O)[C@H]13)O2 COCc1nn2c(=O)cc(CSCC(=O)O)nc2s1 ZINC000045951725 76/89/79/395768979 HHAVKWOOEQQCFH-UHFFFAOYSA-N -1 301.349 DC 0.615 0 Anodyne ref DCAARM COCc1nn2c(=O)cc(CSCC(=O)[O-])nc2s1 COc1ccc(CN2C(=O)N[C@@H](CCC(=O)O)C2=O)cc1OC ZINC000096113681 74/55/40/395745540 QNPOWNQAVNTBFP-JTQLQIEISA-N -1 322.317 DC 0.989 0 Anodyne ref DCAARM COc1ccc(CN2C(=O)N[C@@H](CCC(=O)[O-])C2=O)cc1OC COc1ccc(CCN2C(=O)N[C@@H](CC(=O)O)C2=O)cc1OC ZINC000096221929 58/93/32/193589332 GANOJBINRTVSHX-JTQLQIEISA-N -1 322.317 DC 0.641 0 Anodyne ref DCAARM COc1ccc(CCN2C(=O)N[C@@H](CC(=O)[O-])C2=O)cc1OC COc1ccc(CN2C(=O)N[C@@H](CC(=O)O)C2=O)cc1OC ZINC000096222534 58/91/00/193589100 GZWTUPGHDHOLEC-VIFPVBQESA-N -1 308.29 DC 0.599 0 Anodyne ref DCAARM COc1ccc(CN2C(=O)N[C@@H](CC(=O)[O-])C2=O)cc1OC CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 ZINC000100037020 76/20/73/395762073 STECJAGHUSJQJN-FWXGHANASA-N 1 303.358 DC 0.918 1 Anodyne mid DCAAMO C[N@H+]1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 fda metabolite CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 ZINC000100037020 76/20/71/395762071 STECJAGHUSJQJN-FWXGHANASA-N 1 303.358 DC 0.918 1 Anodyne mid DCAAMO C[N@@H+]1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 fda metabolite CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 ZINC000100037020 76/20/69/395762069 STECJAGHUSJQJN-FWXGHANASA-N 0 303.358 DC 0.918 0 Anodyne ref DCAARN CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 fda metabolite CN1[C@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 ZINC000100115339 76/27/20/395762720 STECJAGHUSJQJN-WGGGBPLMSA-N 1 303.358 DC 0.918 1 Anodyne mid DCAAMO C[N@H+]1[C@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 in-vitro biogenic CN1[C@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 ZINC000100115339 76/27/18/395762718 STECJAGHUSJQJN-WGGGBPLMSA-N 1 303.358 DC 0.918 1 Anodyne mid DCAAMO C[N@@H+]1[C@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 in-vitro biogenic CN1[C@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 ZINC000100115339 76/27/13/395762713 STECJAGHUSJQJN-WGGGBPLMSA-N 0 303.358 DC 0.918 0 Anodyne ref DCAARN CN1[C@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 in-vitro biogenic O=C(O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]13)O2 ZINC000100917810 59/30/51/415593051 OABSTQQVOABLJC-MCYUEQNJSA-N -1 316.269 DC 0.966 0 Bother ref DCBBRM O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]13)O2 CSCC[C@H](N)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 ZINC000135634429 94/19/23/395941923 ZMSKGTWYKHTIRQ-XQQFMLRXSA-N 0 321.446 DC 0.874 3 Anodyne high DCABHN CSCC[C@H](N)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 CSCC[C@H](N)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 ZINC000135634429 94/19/19/395941919 ZMSKGTWYKHTIRQ-XQQFMLRXSA-N 1 321.446 DC 0.874 0 Anodyne ref DCABRO CSCC[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 C[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(=O)O ZINC000136009836 14/07/12/299140712 JAARVQDZUJVXQE-GARJFASQSA-N -1 305.334 DC 0.45 0 Anodyne ref DCAARM C[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(=O)[O-] COC(=O)[C@H](C)NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 ZINC000137401414 95/10/60/395951060 VFSGAXLCYJEFEL-SDDRHHMPSA-N 0 319.361 DC 0.539 0 Anodyne ref DCABRN COC(=O)[C@H](C)NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 COc1cc(N2C(=O)N[C@@H](CC(=O)O)C2=O)cc(OC)c1OC ZINC000216626510 27/32/18/257273218 YZMSNPBUDUTMEP-QMMMGPOBSA-N -1 324.289 DC 0.612 0 Unstable ref DCIARM COc1cc(N2C(=O)N[C@@H](CC(=O)[O-])C2=O)cc(OC)c1OC COCn1nc(Br)nc1N1CCCN(C)CC1 ZINC000216627908 27/34/30/257273430 NEIIFQJLZHINNZ-UHFFFAOYSA-N 0 304.192 DC 0.786 3 Unstable high DCIAHN COCn1nc(Br)nc1N1CCCN(C)CC1 COCn1nc(Br)nc1N1CCCN(C)CC1 ZINC000216627908 27/34/29/257273429 NEIIFQJLZHINNZ-UHFFFAOYSA-N 1 304.192 DC 0.786 1 Unstable mid DCIAMO COCn1nc(Br)nc1N1CCC[N@@H+](C)CC1 COCn1nc(Br)nc1N1CCCN(C)CC1 ZINC000216627908 27/34/25/257273425 NEIIFQJLZHINNZ-UHFFFAOYSA-N 1 304.192 DC 0.786 0 Unstable ref DCIARO COCn1nc(Br)nc1N1CCC[N@H+](C)CC1 CC(=O)Nc1cccc(N2C(=O)N[C@@H](CCC(=O)O)C2=O)c1 ZINC000216630727 27/36/75/257273675 RDFLLYNPELPYSN-NSHDSACASA-N -1 305.29 DC 0.935 0 Unstable ref DCIARM CC(=O)Nc1cccc(N2C(=O)N[C@@H](CCC(=O)[O-])C2=O)c1 CCN1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O ZINC000226902218 86/69/99/395866999 VFTQFIAOSCQNOF-WWRHJZOGSA-N -1 306.362 DC 0.337 3 Anodyne high DCAAHM CCN1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O CCN1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O ZINC000226902218 86/69/95/395866995 VFTQFIAOSCQNOF-WWRHJZOGSA-N 0 306.362 DC 0.337 1 Anodyne mid DCAAMN CC[N@H+]1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O CCN1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O ZINC000226902218 86/69/88/395866988 VFTQFIAOSCQNOF-WWRHJZOGSA-N 0 306.362 DC 0.337 0 Anodyne ref DCAARN CC[N@@H+]1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O CCN1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@H]3C1=O ZINC000242688101 25/46/18/285254618 VFTQFIAOSCQNOF-XRMRDTNMSA-N -1 306.362 DC 0.337 3 Anodyne high DCAAHM CCN1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O CCN1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@H]3C1=O ZINC000242688101 25/46/16/285254616 VFTQFIAOSCQNOF-XRMRDTNMSA-N 0 306.362 DC 0.337 1 Anodyne mid DCAAMN CC[N@H+]1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O CCN1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@H]3C1=O ZINC000242688101 25/46/13/285254613 VFTQFIAOSCQNOF-XRMRDTNMSA-N 0 306.362 DC 0.337 0 Anodyne ref DCAARN CC[N@@H+]1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O CCN1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@H]3C1=O ZINC000242688103 25/42/57/285254257 VFTQFIAOSCQNOF-ZRTFPUAOSA-N -1 306.362 DC 0.337 3 Anodyne high DCAAHM CCN1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@H]3C1=O CCN1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@H]3C1=O ZINC000242688103 25/42/55/285254255 VFTQFIAOSCQNOF-ZRTFPUAOSA-N 0 306.362 DC 0.337 1 Anodyne mid DCAAMN CC[N@H+]1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@H]3C1=O CCN1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@H]3C1=O ZINC000242688103 25/42/47/285254247 VFTQFIAOSCQNOF-ZRTFPUAOSA-N 0 306.362 DC 0.337 0 Anodyne ref DCAARN CC[N@@H+]1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@H]3C1=O COCn1ncnc1-n1cc(I)cn1 ZINC000253412324 30/96/41/186309641 QPXKCOQPERBTBY-UHFFFAOYSA-N 0 305.079 DC 0.672 0 Anodyne ref DCAARN COCn1ncnc1-n1cc(I)cn1