COc1ccc(-c2cnc3c(-c4cccnc4)cnn3c2)cc1 ZINC000000026950 11/15/34/431111534 KEAIZNUXWMQAGK-UHFFFAOYSA-N 0 302.337 DG 3.467 0 Anodyne ref DGAARN COc1ccc(-c2cnc3c(-c4cccnc4)cnn3c2)cc1 COc1ccc(-c2nc3ncccn3c2Br)cc1 ZINC000001389800 22/33/27/431223327 UEGOTSZXKFZUFZ-UHFFFAOYSA-N 0 304.147 DG 3.167 0 Anodyne ref DGAARN COc1ccc(-c2nc3ncccn3c2Br)cc1 COc1ccc(C(=O)/C=C/c2ccc3c(c2)OCO3)c(OC)c1 ZINC000004010130 06/19/67/181061967 XMQLRMQKCIIQEY-XVNBXDOJSA-N 0 312.321 DG 3.329 0 Mild ref DGEARN COc1ccc(C(=O)/C=C/c2ccc3c(c2)OCO3)c(OC)c1 COc1ccc(C(=O)/C=C/c2ccc3c(c2)OCO3)cc1OC ZINC000004832381 15/85/66/181158566 FBXJBLNGPPHWDT-ZZXKWVIFSA-N 0 312.321 DG 3.329 0 Mild ref DGEARN COc1ccc(C(=O)/C=C/c2ccc3c(c2)OCO3)cc1OC NCCc1c(-c2ccccn2)[nH]c2ccc(Br)cc12 ZINC000006732125 37/91/84/181379184 WIRIYTHTXSEUKK-UHFFFAOYSA-N 1 316.202 DG 3.494 0 Anodyne ref DGAARO [NH3+]CCc1c(-c2ccccn2)[nH]c2ccc(Br)cc12 NCCc1c(-c2ccncc2)[nH]c2ccc(Br)cc12 ZINC000006732129 37/90/78/181379078 BYHUOXITUFFFLE-UHFFFAOYSA-N 1 316.202 DG 3.494 0 Anodyne ref DGAARO [NH3+]CCc1c(-c2ccncc2)[nH]c2ccc(Br)cc12 NCCc1c(-c2ccccn2)[nH]c2c(Br)cccc12 ZINC000006733569 38/01/09/181380109 XUHOGDNJRBEBGF-UHFFFAOYSA-N 1 316.202 DG 3.494 0 Anodyne ref DGAARO [NH3+]CCc1c(-c2ccccn2)[nH]c2c(Br)cccc12 Brc1c(-c2ccc3c(c2)OCO3)nc2ccccn12 ZINC000006740844 36/79/04/275367904 ZJNFLKGMIVWONH-UHFFFAOYSA-N 0 317.142 DG 3.493 0 Anodyne ref DGAARN Brc1c(-c2ccc3c(c2)OCO3)nc2ccccn12 O=Cc1c(-c2ccc3c(c2)OCO3)nc2ccc(Cl)cn12 ZINC000006740898 03/03/25/285030325 PDASWTSIIVFRPP-UHFFFAOYSA-N 0 300.701 DG 3.196 0 Anodyne ref DGAARN O=Cc1c(-c2ccc3c(c2)OCO3)nc2ccc(Cl)cn12 Nc1ncc(Br)nc1N1CCC[C@H]1c1ccccc1 ZINC000006745287 69/39/35/283693935 LIWNTOVGDIQDSL-NSHDSACASA-N 0 319.206 DG 3.163 0 Anodyne ref DGAARN Nc1ncc(Br)nc1N1CCC[C@H]1c1ccccc1 Nc1ncc(Br)nc1N1CCC[C@@H]1c1ccccc1 ZINC000006745297 70/93/92/279709392 LIWNTOVGDIQDSL-LLVKDONJSA-N 0 319.206 DG 3.163 0 Anodyne ref DGAARN Nc1ncc(Br)nc1N1CCC[C@@H]1c1ccccc1 O=C(NC1(C(=O)O)CCCC1)c1c(Cl)cccc1Cl ZINC000012357196 50/35/22/431503522 DAZVZGMXVDHHRB-UHFFFAOYSA-N -1 302.157 DG 3.121 0 Anodyne ref DGAARM O=C(NC1(C(=O)[O-])CCCC1)c1c(Cl)cccc1Cl COC(=O)c1cc(-c2ccc(O)c(OC)c2)nc2ccccc12 ZINC000022115552 30/93/16/182309316 QCBSPDBBULDMAN-UHFFFAOYSA-N 0 309.321 DG 3.403 0 Anodyne ref DGAARN COC(=O)c1cc(-c2ccc(O)c(OC)c2)nc2ccccc12 COc1ccc(OC)c(C(=O)/C=C/c2ccc3c(c2)OCO3)c1 ZINC000028875287 71/11/11/431711111 SBCPCSMIKOJCKF-ZZXKWVIFSA-N 0 312.321 DG 3.329 0 Mild ref DGEARN COc1ccc(OC)c(C(=O)/C=C/c2ccc3c(c2)OCO3)c1 C[C@H]1[C@@H](C)Nc2ccc(C(=O)O)cc2N1C(=O)OC(C)(C)C ZINC000035572131 57/89/33/300578933 QPPPNLHIKVCISK-ZJUUUORDSA-N -1 306.362 DG 3.329 0 Anodyne ref DGAARM C[C@H]1[C@@H](C)Nc2ccc(C(=O)[O-])cc2N1C(=O)OC(C)(C)C C[C@@H]1Nc2ccc(C(=O)O)cc2N(C(=O)OC(C)(C)C)[C@H]1C ZINC000035572133 55/03/81/297550381 QPPPNLHIKVCISK-UWVGGRQHSA-N -1 306.362 DG 3.329 0 Anodyne ref DGAARM C[C@@H]1Nc2ccc(C(=O)[O-])cc2N(C(=O)OC(C)(C)C)[C@H]1C C[C@H]1Nc2ccc(C(=O)O)cc2N(C(=O)OC(C)(C)C)[C@@H]1C ZINC000035572135 83/16/78/431831678 QPPPNLHIKVCISK-NXEZZACHSA-N -1 306.362 DG 3.329 0 Anodyne ref DGAARM C[C@H]1Nc2ccc(C(=O)[O-])cc2N(C(=O)OC(C)(C)C)[C@@H]1C C[C@@H]1Nc2ccc(C(=O)O)cc2N(C(=O)OC(C)(C)C)[C@@H]1C ZINC000035572137 83/25/18/431832518 QPPPNLHIKVCISK-VHSXEESVSA-N -1 306.362 DG 3.329 0 Anodyne ref DGAARM C[C@@H]1Nc2ccc(C(=O)[O-])cc2N(C(=O)OC(C)(C)C)[C@@H]1C CCN(CC)CCC[C@@H](C)NC[C@@H](C)C(=O)OC(C)(C)C ZINC000047219100 90/69/19/431906919 IBKWXUJBWVTAIY-HUUCEWRRSA-N 2 300.487 DG 3.064 0 Anodyne ref DGAARP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C CCN(CC)CCC[C@H](C)NC[C@@H](C)C(=O)OC(C)(C)C ZINC000047219101 90/66/13/431906613 IBKWXUJBWVTAIY-CABCVRRESA-N 2 300.487 DG 3.064 0 Anodyne ref DGAARP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C CCN(CC)CCC[C@@H](C)NC[C@H](C)C(=O)OC(C)(C)C ZINC000047219102 90/71/10/431907110 IBKWXUJBWVTAIY-LSDHHAIUSA-N 2 300.487 DG 3.064 0 Anodyne ref DGAARP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C CCN(CC)CCC[C@H](C)NC[C@H](C)C(=O)OC(C)(C)C ZINC000047219103 90/69/26/431906926 IBKWXUJBWVTAIY-GJZGRUSLSA-N 2 300.487 DG 3.064 0 Anodyne ref DGAARP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C CCCCCCn1nc(Br)nc1Br ZINC000067799168 04/07/83/432040783 XSWWXFBMANYPDK-UHFFFAOYSA-N 0 311.021 DG 3.383 0 Anodyne ref DGAARN CCCCCCn1nc(Br)nc1Br COc1ccc(OC)c2c1cc(C(=O)O)n2Cc1ccccc1 ZINC000067799274 04/12/67/432041267 FFOWNPDMZIJKNK-UHFFFAOYSA-N -1 311.337 DG 3.405 0 Anodyne ref DGAARM COc1ccc(OC)c2c1cc(C(=O)[O-])n2Cc1ccccc1 O=C(Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccccc2)cc1 ZINC000067799336 04/06/20/432040620 RRKQNMKYVLJFTC-UHFFFAOYSA-N 0 307.309 DG 3.341 0 Bother ref DGBARN O=C(Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccccc2)cc1 C[C@@H]1CNCCN1Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000067799436 72/18/25/190721825 QKXBYOZSTDWNOD-SECBINFHSA-N 1 308.731 DG 3.032 0 Anodyne ref DGAARO C[C@@H]1C[NH2+]CCN1Cc1ccc(OC(F)(F)F)c(Cl)c1 C[C@H]1CNCCN1Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000067799439 04/15/25/432041525 QKXBYOZSTDWNOD-VIFPVBQESA-N 1 308.731 DG 3.032 0 Anodyne ref DGAARO C[C@H]1C[NH2+]CCN1Cc1ccc(OC(F)(F)F)c(Cl)c1 CCOC(=O)CC(=O)c1cc(Br)ccc1Cl ZINC000067799455 04/16/17/432041617 DZORJLYCPDFHRP-UHFFFAOYSA-N -1 305.555 DG 3.238 0 Anodyne ref DGAARM CCOC(=O)C=C([O-])c1cc(Br)ccc1Cl FC(F)(F)c1cc(CN2CCNCC2)cc(C(F)(F)F)c1 ZINC000067800350 04/13/41/432041341 YQAXGAWZSCESBQ-UHFFFAOYSA-N 1 312.257 DG 3.129 0 Anodyne ref DGAARO FC(F)(F)c1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 O=C(Cn1ccc([N+](=O)[O-])n1)c1ccc(-c2ccccc2)cc1 ZINC000067802957 04/09/75/432040975 FKSGUKJMHNSTRM-UHFFFAOYSA-N 0 307.309 DG 3.341 0 Bother ref DGBARN O=C(Cn1ccc([N+](=O)[O-])n1)c1ccc(-c2ccccc2)cc1 COc1ccc2c(cc(C(=O)O)n2Cc2ccccc2)c1OC ZINC000067803002 72/35/63/190723563 AHIAESRMRLXSOA-UHFFFAOYSA-N -1 311.337 DG 3.405 0 Anodyne ref DGAARM COc1ccc2c(cc(C(=O)[O-])n2Cc2ccccc2)c1OC c1ccc(-c2ccc(-c3ccc(N4CCNCC4)nn3)cc2)cc1 ZINC000071976792 32/21/81/431322181 CZXRDIZOCLYJCP-UHFFFAOYSA-N 0 316.408 DG 3.22 3 Anodyne high DGAAHN c1ccc(-c2ccc(-c3ccc(N4CCNCC4)nn3)cc2)cc1 c1ccc(-c2ccc(-c3ccc(N4CCNCC4)nn3)cc2)cc1 ZINC000071976792 32/21/71/431322171 CZXRDIZOCLYJCP-UHFFFAOYSA-N 1 316.408 DG 3.22 0 Anodyne ref DGAARO c1ccc(-c2ccc(-c3ccc(N4CC[NH2+]CC4)nn3)cc2)cc1 COc1cc(OC)c2cc(C(=O)O)n(Cc3ccccc3)c2c1 ZINC000071976875 32/33/06/431323306 KSRSRTCMBPKTRV-UHFFFAOYSA-N -1 311.337 DG 3.405 0 Anodyne ref DGAARM COc1cc(OC)c2cc(C(=O)[O-])n(Cc3ccccc3)c2c1 COc1ccc(-c2cc(-c3ccccc3OC)nc(N)n2)cc1 ZINC000071977348 32/28/91/431322891 YFDILCJTXLLSDM-UHFFFAOYSA-N 0 307.353 DG 3.41 0 Anodyne ref DGAARN COc1ccc(-c2cc(-c3ccccc3OC)nc(N)n2)cc1 COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(N)n2)cc1 ZINC000071977349 32/32/71/431323271 ZFMPORMMFCGMPG-UHFFFAOYSA-N 0 307.353 DG 3.41 0 Anodyne ref DGAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(N)n2)cc1 COc1ccc(-c2cc(-c3ccc4c(c3)OCO4)nc(N)n2)cc1 ZINC000071977367 32/34/69/431323469 WGJJESJWIXHLCU-UHFFFAOYSA-N 0 321.336 DG 3.13 0 Anodyne ref DGAARN COc1ccc(-c2cc(-c3ccc4c(c3)OCO4)nc(N)n2)cc1 COc1ccc(-c2cc(-c3cccc(OC)c3)nc(N)n2)cc1 ZINC000071977375 91/69/74/184916974 MRZNAFLCQRLDRD-UHFFFAOYSA-N 0 307.353 DG 3.41 0 Anodyne ref DGAARN COc1ccc(-c2cc(-c3cccc(OC)c3)nc(N)n2)cc1 COc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(N)n2)cc1 ZINC000071977405 32/37/75/431323775 ADNONOXVWZEXNR-UHFFFAOYSA-N 0 322.324 DG 3.31 0 Bother ref DGBARN COc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(N)n2)cc1 Nc1nc(-c2ccc(F)cc2)cc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000071977409 91/70/00/184917000 ZECVJQUXEWKPRC-UHFFFAOYSA-N 0 310.288 DG 3.44 0 Bother ref DGBARN Nc1nc(-c2ccc(F)cc2)cc(-c2ccc([N+](=O)[O-])cc2)n1 Nc1nc(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2F)n1 ZINC000071977411 32/35/85/431323585 DYLQTNJLBUPEFM-UHFFFAOYSA-N 0 310.288 DG 3.44 0 Bother ref DGBARN Nc1nc(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2F)n1 Nc1nc(-c2ccc([N+](=O)[O-])cc2)cc(-c2cccc(F)c2)n1 ZINC000071977419 91/73/37/184917337 KWLKSEYCPTYPAG-UHFFFAOYSA-N 0 310.288 DG 3.44 0 Bother ref DGBARN Nc1nc(-c2ccc([N+](=O)[O-])cc2)cc(-c2cccc(F)c2)n1 COc1cccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(N)n2)c1 ZINC000071977423 91/71/93/184917193 XDCZSJHEFXQBTN-UHFFFAOYSA-N 0 322.324 DG 3.31 0 Bother ref DGBARN COc1cccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(N)n2)c1 COc1ccc(-c2cc(-c3ccccc3)nc(N)n2)c(OC)c1 ZINC000071977488 32/31/73/431323173 FPXJLANJEOKCQI-UHFFFAOYSA-N 0 307.353 DG 3.41 0 Anodyne ref DGAARN COc1ccc(-c2cc(-c3ccccc3)nc(N)n2)c(OC)c1 COc1ccc(-c2cc(-c3cccs3)nc(N)n2)c(OC)c1 ZINC000071977495 32/38/04/431323804 TTYSBPRZJBZDST-UHFFFAOYSA-N 0 313.382 DG 3.472 0 Anodyne ref DGAARN COc1ccc(-c2cc(-c3cccs3)nc(N)n2)c(OC)c1 Nc1nc(-c2ccc(F)cc2)cc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000071977540 32/39/53/431323953 WDFXCDKWJZDWHR-UHFFFAOYSA-N 0 310.288 DG 3.44 0 Bother ref DGBARN Nc1nc(-c2ccc(F)cc2)cc(-c2cccc([N+](=O)[O-])c2)n1 Nc1nc(-c2cccc(F)c2)cc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000071977559 32/22/00/431322200 NTHFNZLHJUQRDJ-UHFFFAOYSA-N 0 310.288 DG 3.44 0 Bother ref DGBARN Nc1nc(-c2cccc(F)c2)cc(-c2cccc([N+](=O)[O-])c2)n1 COc1cccc(-c2cc(-c3cccc([N+](=O)[O-])c3)nc(N)n2)c1 ZINC000071977562 32/19/75/431321975 YRSYWIKUHGZZIP-UHFFFAOYSA-N 0 322.324 DG 3.31 0 Bother ref DGBARN COc1cccc(-c2cc(-c3cccc([N+](=O)[O-])c3)nc(N)n2)c1 COc1ccc(OC)c(-c2cc(-c3ccccc3)nc(N)n2)c1 ZINC000071977626 32/23/35/431322335 VRGBJHURVAFAPK-UHFFFAOYSA-N 0 307.353 DG 3.41 0 Anodyne ref DGAARN COc1ccc(OC)c(-c2cc(-c3ccccc3)nc(N)n2)c1 COc1ccc(OC)c(-c2cc(-c3cccs3)nc(N)n2)c1 ZINC000071977635 32/29/77/431322977 PBWNSFDPQMILLD-UHFFFAOYSA-N 0 313.382 DG 3.472 0 Anodyne ref DGAARN COc1ccc(OC)c(-c2cc(-c3cccs3)nc(N)n2)c1 Nc1nc(-c2ccc(F)cc2)cc(-c2ccc3c(c2)OCO3)n1 ZINC000071977690 91/75/09/184917509 ZCNXAUJJXKVCGV-UHFFFAOYSA-N 0 309.3 DG 3.261 0 Anodyne ref DGAARN Nc1nc(-c2ccc(F)cc2)cc(-c2ccc3c(c2)OCO3)n1 Cc1ccc(-c2cc(-c3ccc4c(c3)OCO4)nc(N)n2)cc1 ZINC000071977855 91/77/74/184917774 CJJDAKFYYJWINJ-UHFFFAOYSA-N 0 305.337 DG 3.43 0 Anodyne ref DGAARN Cc1ccc(-c2cc(-c3ccc4c(c3)OCO4)nc(N)n2)cc1 COc1cccc(-c2cc(-c3ccccc3OC)nc(N)n2)c1 ZINC000071977876 91/77/65/184917765 GZBAYJMMCBEJIE-UHFFFAOYSA-N 0 307.353 DG 3.41 0 Anodyne ref DGAARN COc1cccc(-c2cc(-c3ccccc3OC)nc(N)n2)c1 COc1cccc(-c2cc(-c3ccc4c(c3)OCO4)nc(N)n2)c1 ZINC000071977884 32/28/64/431322864 ZNWXCHVUZLTKJF-UHFFFAOYSA-N 0 321.336 DG 3.13 0 Anodyne ref DGAARN COc1cccc(-c2cc(-c3ccc4c(c3)OCO4)nc(N)n2)c1 COc1cccc(-c2cc(-c3cccc(OC)c3)nc(N)n2)c1 ZINC000071977889 32/28/51/431322851 KHKQRIUCVJYAFK-UHFFFAOYSA-N 0 307.353 DG 3.41 0 Anodyne ref DGAARN COc1cccc(-c2cc(-c3cccc(OC)c3)nc(N)n2)c1 Cc1ccccc1-c1cc(-c2ccc3c(c2)OCO3)nc(N)n1 ZINC000071978082 32/26/82/431322682 SMEIZLSOUGVGDX-UHFFFAOYSA-N 0 305.337 DG 3.43 0 Anodyne ref DGAARN Cc1ccccc1-c1cc(-c2ccc3c(c2)OCO3)nc(N)n1 COc1ccccc1-c1cc(-c2ccccc2OC)nc(N)n1 ZINC000071978103 91/77/19/184917719 RYLDYWGYBRQVKK-UHFFFAOYSA-N 0 307.353 DG 3.41 0 Anodyne ref DGAARN COc1ccccc1-c1cc(-c2ccccc2OC)nc(N)n1 COc1ccccc1-c1cc(-c2ccc3c(c2)OCO3)nc(N)n1 ZINC000071978114 91/76/10/184917610 NHVBFOCPOMSRGK-UHFFFAOYSA-N 0 321.336 DG 3.13 0 Anodyne ref DGAARN COc1ccccc1-c1cc(-c2ccc3c(c2)OCO3)nc(N)n1 COc1ccc(-c2cc(-c3ccccc3)nc(N)n2)cc1OC ZINC000071978196 32/30/14/431323014 NISJORSLZSAWBO-UHFFFAOYSA-N 0 307.353 DG 3.41 0 Anodyne ref DGAARN COc1ccc(-c2cc(-c3ccccc3)nc(N)n2)cc1OC COc1cccc(-c2cc(-c3ccccc3)nc(N)n2)c1OC ZINC000071978207 32/33/28/431323328 HGNXZSPEVQMLBO-UHFFFAOYSA-N 0 307.353 DG 3.41 0 Anodyne ref DGAARN COc1cccc(-c2cc(-c3ccccc3)nc(N)n2)c1OC Cc1cccc(-c2cc(-c3ccc4c(c3)OCO4)nc(N)n2)c1 ZINC000071978228 32/29/61/431322961 WEQMWYVTNKOZKG-UHFFFAOYSA-N 0 305.337 DG 3.43 0 Anodyne ref DGAARN Cc1cccc(-c2cc(-c3ccc4c(c3)OCO4)nc(N)n2)c1 COc1ccc(-c2cc(-c3cccs3)nc(N)n2)cc1OC ZINC000071978282 32/40/42/431324042 VIBZJWCRBUJORM-UHFFFAOYSA-N 0 313.382 DG 3.472 0 Anodyne ref DGAARN COc1ccc(-c2cc(-c3cccs3)nc(N)n2)cc1OC COc1ccc(-c2cc(-c3ccc(C)o3)nc(N)n2)cc1OC ZINC000071978294 32/22/53/431322253 QJCCGKDDNSYIME-UHFFFAOYSA-N 0 311.341 DG 3.311 0 Anodyne ref DGAARN COc1ccc(-c2cc(-c3ccc(C)o3)nc(N)n2)cc1OC COc1cccc(-c2cc(-c3cccs3)nc(N)n2)c1OC ZINC000071978365 32/20/18/431322018 LYUCGWPBHYYOSB-UHFFFAOYSA-N 0 313.382 DG 3.472 0 Anodyne ref DGAARN COc1cccc(-c2cc(-c3cccs3)nc(N)n2)c1OC COc1cccc(-c2cc(-c3ccc(C)o3)nc(N)n2)c1OC ZINC000071978408 32/32/36/431323236 SKECJPXDFJMGDK-UHFFFAOYSA-N 0 311.341 DG 3.311 0 Anodyne ref DGAARN COc1cccc(-c2cc(-c3ccc(C)o3)nc(N)n2)c1OC Brc1nc(Br)n(CC2CCCCC2)n1 ZINC000071978798 32/15/92/431321592 WNUMITLTDBSELP-UHFFFAOYSA-N 0 323.032 DG 3.383 0 Anodyne ref DGAARN Brc1nc(Br)n(CC2CCCCC2)n1 FC(F)(F)Oc1ccc(CN2CCCNCC2)cc1Cl ZINC000071978885 91/77/45/184917745 FZGYRHGSZNKWNQ-UHFFFAOYSA-N 1 308.731 DG 3.034 0 Anodyne ref DGAARO FC(F)(F)Oc1ccc(CN2CCC[NH2+]CC2)cc1Cl CCOc1ccc(N2N=C(C(=O)O)C[C@H]2c2ccccc2)cc1 ZINC000071979137 32/33/20/431323320 UDVLISXGRVKMFP-KRWDZBQOSA-N -1 310.353 DG 3.477 0 Anodyne ref DGAARM CCOc1ccc(N2N=C(C(=O)[O-])C[C@H]2c2ccccc2)cc1 CCOc1ccc(N2N=C(C(=O)O)C[C@@H]2c2ccccc2)cc1 ZINC000071979138 32/17/30/431321730 UDVLISXGRVKMFP-QGZVFWFLSA-N -1 310.353 DG 3.477 0 Anodyne ref DGAARM CCOc1ccc(N2N=C(C(=O)[O-])C[C@@H]2c2ccccc2)cc1 C[C@]1(C(=O)O)CC(c2ccc(OCc3ccccc3)cc2)=NO1 ZINC000071981012 91/88/54/184918854 ZWMKRMBBUSNTFX-GOSISDBHSA-N -1 311.337 DG 3.233 0 Anodyne ref DGAARM C[C@]1(C(=O)[O-])CC(c2ccc(OCc3ccccc3)cc2)=NO1 C[C@@]1(C(=O)O)CC(c2ccc(OCc3ccccc3)cc2)=NO1 ZINC000071981013 32/24/00/431322400 ZWMKRMBBUSNTFX-SFHVURJKSA-N -1 311.337 DG 3.233 0 Anodyne ref DGAARM C[C@@]1(C(=O)[O-])CC(c2ccc(OCc3ccccc3)cc2)=NO1 O=C(OCc1ccccc1)N1CCN[C@H](c2cccs2)C1 ZINC000073632975 33/22/50/191332250 ZITAZXLOGAHOMG-AWEZNQCLSA-N 1 302.399 DG 3.031 1 Anodyne mid DGAAMO O=C(OCc1ccccc1)N1CC[NH2+][C@H](c2cccs2)C1 O=C(OCc1ccccc1)N1CCN[C@H](c2cccs2)C1 ZINC000073632975 33/22/47/191332247 ZITAZXLOGAHOMG-AWEZNQCLSA-N 0 302.399 DG 3.031 0 Anodyne ref DGAARN O=C(OCc1ccccc1)N1CCN[C@H](c2cccs2)C1 O=C(OCc1ccccc1)N1CCN[C@@H](c2cccs2)C1 ZINC000073632976 33/31/57/191333157 ZITAZXLOGAHOMG-CQSZACIVSA-N 1 302.399 DG 3.031 1 Anodyne mid DGAAMO O=C(OCc1ccccc1)N1CC[NH2+][C@@H](c2cccs2)C1 O=C(OCc1ccccc1)N1CCN[C@@H](c2cccs2)C1 ZINC000073632976 33/31/53/191333153 ZITAZXLOGAHOMG-CQSZACIVSA-N 0 302.399 DG 3.031 0 Anodyne ref DGAARN O=C(OCc1ccccc1)N1CCN[C@@H](c2cccs2)C1 [C-]#[N+][C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 ZINC000095686560 38/32/15/185383215 FSVLATNYQZFZTR-HNNXBMFYSA-N 1 316.338 DG 3.295 0 Reactive ref DGGBRO C#[N+][C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 [C-]#[N+][C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 ZINC000095686561 38/32/33/185383233 FSVLATNYQZFZTR-OAHLLOKOSA-N 1 316.338 DG 3.295 0 Reactive ref DGGBRO C#[N+][C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 [C-]#[N+][C@H](c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)cc1 ZINC000095686562 38/31/04/185383104 XTRBMIRETKHRKF-INIZCTEOSA-N 1 315.35 DG 3.116 0 Reactive ref DGGBRO C#[N+][C@H](c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)cc1 [C-]#[N+][C@@H](c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)cc1 ZINC000095686563 38/31/84/185383184 XTRBMIRETKHRKF-MRXNPFEDSA-N 1 315.35 DG 3.116 0 Reactive ref DGGBRO C#[N+][C@@H](c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)cc1 [C-]#[N+][C@H](c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000095686570 38/33/05/185383305 QIJRGVGFTZWYNF-INIZCTEOSA-N 1 301.367 DG 3.395 0 Reactive ref DGGARO C#[N+][C@H](c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 [C-]#[N+][C@@H](c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000095686571 38/33/12/185383312 QIJRGVGFTZWYNF-MRXNPFEDSA-N 1 301.367 DG 3.395 0 Reactive ref DGGARO C#[N+][C@@H](c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 [C-]#[N+][C@H](c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000095686572 38/31/59/185383159 INJOLCGALKIREA-INIZCTEOSA-N 1 301.367 DG 3.395 0 Reactive ref DGGARO C#[N+][C@H](c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 [C-]#[N+][C@@H](c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000095686573 38/30/98/185383098 INJOLCGALKIREA-MRXNPFEDSA-N 1 301.367 DG 3.395 0 Reactive ref DGGARO C#[N+][C@@H](c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 [C-]#[N+][C@H](c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000095686574 59/73/72/296597372 BTXVFJYPHAIAST-INIZCTEOSA-N 1 301.367 DG 3.395 0 Reactive ref DGGBRO C#[N+][C@H](c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 [C-]#[N+][C@@H](c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000095686575 38/31/71/185383171 BTXVFJYPHAIAST-MRXNPFEDSA-N 1 301.367 DG 3.395 0 Reactive ref DGGBRO C#[N+][C@@H](c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 CC(C)(C)c1nc2ccccn2c1I ZINC000096536899 27/51/16/277275116 UBZVIIBCNGSZGL-UHFFFAOYSA-N 0 300.143 DG 3.236 0 Anodyne ref DGABRN CC(C)(C)c1nc2ccccn2c1I Ic1c(-c2ccccc2)nc2ncccn12 ZINC000096536904 77/78/73/294777873 ADUADKKEDIHZAK-UHFFFAOYSA-N 0 321.121 DG 3.001 0 Anodyne ref DGABRN Ic1c(-c2ccccc2)nc2ncccn12 Ic1c(-c2ccccc2)nc2cccnn12 ZINC000096536906 77/78/42/294777842 FPXPIPUZSOQBDW-UHFFFAOYSA-N 0 321.121 DG 3.001 0 Anodyne ref DGABRN Ic1c(-c2ccccc2)nc2cccnn12 CCOc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1OCC ZINC000405577313 29/88/71/400298871 DFJRFNLZYNLNPM-UHFFFAOYSA-N 0 323.389 DG 3.191 0 Anodyne ref DGABRN CCOc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1OCC CC(C)(C)OC(=O)N(CCCc1ccccc1)CCC(=O)O ZINC000582468926 11/66/96/337116696 CSUCNXPTKFBBSI-UHFFFAOYSA-N -1 307.39 DG 3.331 0 Anodyne ref DGAARM CC(C)(C)OC(=O)N(CCCc1ccccc1)CCC(=O)[O-] CC(C)(C)OC(=O)N(CCC(=O)O)CCc1ccc(F)cc1 ZINC000582468950 11/67/00/337116700 WFTSZBAHHPNJSU-UHFFFAOYSA-N -1 311.353 DG 3.08 0 Anodyne ref DGAARM CC(C)(C)OC(=O)N(CCC(=O)[O-])CCc1ccc(F)cc1 COc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1SC ZINC000599884704 15/71/16/401157116 YWSSLLHXGAEOCZ-UHFFFAOYSA-N 0 311.403 DG 3.125 0 Anodyne ref DGABRN COc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1SC