Oc1c(Br)cc(Br)c2cccnc12 ZINC000000001064 45/04/72/280450472 ZDASUJMDVPTNTF-UHFFFAOYSA-N 0 302.953 DG 3.465 1 Anodyne mid DGAAMN Oc1c(Br)cc(Br)c2cccnc12 world Oc1c(Br)cc(Br)c2cccnc12 ZINC000000001064 45/04/70/280450470 ZDASUJMDVPTNTF-UHFFFAOYSA-N -1 302.953 DG 3.465 0 Anodyne ref DGAARM [O-]c1c(Br)cc(Br)c2cccnc12 world COc1cccc(-c2oc3cc(OC)ccc3c(=O)c2OC)c1 ZINC000000057842 11/76/29/431117629 YUSMIUGOOGKMJN-UHFFFAOYSA-N 0 312.321 DG 3.486 0 Anodyne ref DGAARN COc1cccc(-c2oc3cc(OC)ccc3c(=O)c2OC)c1 O=Cc1ccc(OC(=O)c2ccccc2Br)cc1 ZINC000000058993 11/57/33/431115733 PFUSYTGAKLPQMQ-UHFFFAOYSA-N 0 305.127 DG 3.481 0 Anodyne ref DGAARN O=Cc1ccc(OC(=O)c2ccccc2Br)cc1 O=c1c2ccccc2nnn1CSc1ccc2ccccc2n1 ZINC000000067666 11/95/83/431119583 CMUMQGJOSPCTOZ-UHFFFAOYSA-N 0 320.377 DG 3.09 0 Anodyne ref DGAARN O=c1c2ccccc2nnn1CSc1ccc2ccccc2n1 Cc1ccc(Sc2nc3ccc(C)cn3c(=O)c2C=O)cc1 ZINC000000081438 11/97/13/431119713 LNUXRZAMWNGBFU-UHFFFAOYSA-N 0 310.378 DG 3.275 0 Anodyne ref DGAARN Cc1ccc(Sc2nc3ccc(C)cn3c(=O)c2C=O)cc1 O=Cc1c(OCc2cn3cccnc3n2)ccc2ccccc12 ZINC000000086644 12/19/19/431121919 HQRHBPYHHRLVMY-UHFFFAOYSA-N 0 303.321 DG 3.274 0 Anodyne ref DGAARN O=Cc1c(OCc2cn3cccnc3n2)ccc2ccccc12 Brc1cnc(Br)c(Br)c1 ZINC000000151263 13/47/06/431134706 BBHYMJRPJFVNPI-UHFFFAOYSA-N 0 315.79 DG 3.369 0 Anodyne ref DGAARN Brc1cnc(Br)c(Br)c1 O=C(O)c1cccc(N2C(=O)c3cccc4cccc(c34)C2=O)c1 ZINC000000187478 26/10/69/304261069 YGIZOHPUZJDOSJ-UHFFFAOYSA-N -1 317.3 DG 3.339 0 Anodyne ref DGAARM O=C([O-])c1cccc(N2C(=O)c3cccc4cccc(c34)C2=O)c1 Cc1c(C=O)c2ccccc2n1CC(=O)NCc1cccs1 ZINC000000310353 16/32/45/431163245 RZKUUOUMIXGDPK-UHFFFAOYSA-N 0 312.394 DG 3.14 0 Anodyne ref DGAARN Cc1c(C=O)c2ccccc2n1CC(=O)NCc1cccs1 CN(C)c1nc(-c2ccc(Br)cc2)c(C=O)s1 ZINC000000330681 16/88/64/431168864 PDRLBTSCXCZRPG-UHFFFAOYSA-N 0 311.204 DG 3.451 0 Anodyne ref DGAARN CN(C)c1nc(-c2ccc(Br)cc2)c(C=O)s1 Brc1ccnc(Br)c1Br ZINC000000330760 16/91/19/431169119 USXXIRQDHZXYHX-UHFFFAOYSA-N 0 315.79 DG 3.369 0 Anodyne ref DGAARN Brc1ccnc(Br)c1Br Brc1cc(Br)c(Br)cn1 ZINC000000330763 76/67/09/276766709 VSSNQKOQGRPXTB-UHFFFAOYSA-N 0 315.79 DG 3.369 0 Anodyne ref DGAARN Brc1cc(Br)c(Br)cn1 Nc1c(Br)nc(Br)c2ccccc12 ZINC000000331143 34/45/96/295344596 KKSLJXTVKLGZTA-UHFFFAOYSA-N 0 301.969 DG 3.342 0 Anodyne ref DGAARN Nc1c(Br)nc(Br)c2ccccc12 CC(C)(C)c1nc(NN)c(Br)c(C(C)(C)C)n1 ZINC000000331413 54/00/92/275540092 DJHDICNHCWIQMC-UHFFFAOYSA-N 0 301.232 DG 3.12 1 Anodyne mid DGAAMN CC(C)(C)c1nc(NN)c(Br)c(C(C)(C)C)n1 CC(C)(C)c1nc(NN)c(Br)c(C(C)(C)C)n1 ZINC000000331413 54/00/91/275540091 DJHDICNHCWIQMC-UHFFFAOYSA-N 1 301.232 DG 3.12 0 Anodyne ref DGAARO CC(C)(C)c1nc(C(C)(C)C)c(Br)c(NN)[nH+]1 COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)O)cc1 ZINC000000332428 16/88/41/431168841 RAFQPVZBCDVMBY-UHFFFAOYSA-N -1 305.717 DG 3.299 0 Anodyne ref DGAARM COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)[O-])cc1 Nc1ccc(NC=C2C(=O)CC(c3ccccc3)CC2=O)cc1 ZINC000000333333 16/82/21/431168221 OOWUIZPNRSPEMT-UHFFFAOYSA-N 0 306.365 DG 3.28 0 Mild ref DGEARN Nc1ccc(NC=C2C(=O)CC(c3ccccc3)CC2=O)cc1 CCOC(=O)c1ccccc1OCc1cc(C=O)ccc1OC ZINC000000333628 16/81/77/431168177 AVWRGULRQRPSFQ-UHFFFAOYSA-N 0 314.337 DG 3.263 0 Anodyne ref DGAARN CCOC(=O)c1ccccc1OCc1cc(C=O)ccc1OC COc1ccc(/C=C/C(=O)Oc2ccc(C=O)cc2OC)cc1 ZINC000000333857 76/05/55/180760555 GBDCKPWXMRCZDB-UXBLZVDNSA-N 0 312.321 DG 3.135 0 Anodyne ref DGAARN COc1ccc(/C=C/C(=O)Oc2ccc(C=O)cc2OC)cc1 COc1cc([C@@H]2O[C@@H]2C(=O)c2ccccc2)cc(OC)c1OC ZINC000000334881 16/84/30/431168430 UMOUAQVZPNWHEG-FUHWJXTLSA-N 0 314.337 DG 3.035 0 Anodyne ref DGAARN COc1cc([C@@H]2O[C@@H]2C(=O)c2ccccc2)cc(OC)c1OC COc1cc([C@H]2O[C@@H]2C(=O)c2ccccc2)cc(OC)c1OC ZINC000000334883 16/87/15/431168715 UMOUAQVZPNWHEG-SJLPKXTDSA-N 0 314.337 DG 3.035 0 Anodyne ref DGAARN COc1cc([C@H]2O[C@@H]2C(=O)c2ccccc2)cc(OC)c1OC COc1cc([C@@H]2O[C@H]2C(=O)c2ccccc2)cc(OC)c1OC ZINC000000334884 16/70/04/431167004 UMOUAQVZPNWHEG-WMZOPIPTSA-N 0 314.337 DG 3.035 0 Anodyne ref DGAARN COc1cc([C@@H]2O[C@H]2C(=O)c2ccccc2)cc(OC)c1OC COc1cc([C@H]2O[C@H]2C(=O)c2ccccc2)cc(OC)c1OC ZINC000000334885 16/75/86/431167586 UMOUAQVZPNWHEG-AEFFLSMTSA-N 0 314.337 DG 3.035 0 Anodyne ref DGAARN COc1cc([C@H]2O[C@H]2C(=O)c2ccccc2)cc(OC)c1OC COc1cc(C=O)c(Cl)cc1OCC(=O)Nc1ccccc1 ZINC000000336080 16/81/24/431168124 BPQPUIIBUZBSKZ-UHFFFAOYSA-N 0 319.744 DG 3.179 0 Anodyne ref DGAARN COc1cc(C=O)c(Cl)cc1OCC(=O)Nc1ccccc1 COc1cc(C=O)cc(OC)c1OC(=O)c1ccc(Cl)cc1 ZINC000000336160 16/79/90/431167990 TVNUSRBZOKXAIR-UHFFFAOYSA-N 0 320.728 DG 3.389 0 Anodyne ref DGAARN COc1cc(C=O)cc(OC)c1OC(=O)c1ccc(Cl)cc1 COc1cc(CNc2ccccc2C(=O)O)cc(OC)c1OC ZINC000000336339 76/04/39/180760439 YXWVMWMQMTZAAL-UHFFFAOYSA-N -1 317.341 DG 3.023 0 Anodyne ref DGAARM COc1cc(CNc2ccccc2C(=O)[O-])cc(OC)c1OC COc1cccc(NC(=O)Cn2cc(C=O)c3ccccc32)c1 ZINC000000336408 16/86/13/431168613 NCQDBVYKJAJKIE-UHFFFAOYSA-N 0 308.337 DG 3.101 0 Anodyne ref DGAARN COc1cccc(NC(=O)Cn2cc(C=O)c3ccccc32)c1 COc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1 ZINC000000336417 16/81/89/431168189 SOPMARNJOBHEPT-UHFFFAOYSA-N 0 308.337 DG 3.101 0 Anodyne ref DGAARN COc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1 COc1c(Br)cc(C(C)=O)cc1Br ZINC000000336432 36/09/77/277360977 YZLSJKQCNFBAOB-UHFFFAOYSA-N 0 307.969 DG 3.423 0 Anodyne ref DGAARN COc1c(Br)cc(C(C)=O)cc1Br O=C(Nc1ccccc1)c1cc2c(cc1Br)OCO2 ZINC000000336948 61/28/87/190612887 YFZOXDJTBCBJMC-UHFFFAOYSA-N 0 320.142 DG 3.43 0 Anodyne ref DGAARN O=C(Nc1ccccc1)c1cc2c(cc1Br)OCO2 Brc1cncc(Br)c1Br ZINC000000343297 77/18/13/276771813 CWYVUHWKGWQPLP-UHFFFAOYSA-N 0 315.79 DG 3.369 0 Anodyne ref DGAARN Brc1cncc(Br)c1Br Cc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2)n1 ZINC000000450874 18/29/43/431182943 CFFLRWMAYJYPSO-UHFFFAOYSA-N 0 305.79 DG 3.17 0 Anodyne ref DGAARN Cc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2)n1 O=S(=O)(c1ccccc1)N(Cc1ccco1)c1ccccn1 ZINC000000730572 83/23/35/180832335 WPYFHHDFEUAYPF-UHFFFAOYSA-N 0 314.366 DG 3.07 0 Anodyne ref DGAARN O=S(=O)(c1ccccc1)N(Cc1ccco1)c1ccccn1 O=C(O)/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001667262 02/30/28/304023028 MJNHSMCHYCVNAZ-ZROIWOOFSA-N -1 314.253 DG 3.128 0 Bother ref DGBARM O=C([O-])/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 COc1ccc(-c2oc3ccccc3c(=O)c2OC)cc1OC ZINC000001978642 24/13/52/431241352 BSKMLHOVEORMSF-UHFFFAOYSA-N 0 312.321 DG 3.486 0 Anodyne ref DGAARN COc1ccc(-c2oc3ccccc3c(=O)c2OC)cc1OC in-vitro biogenic CCCOC(=O)CSc1nnc(-c2ccccc2Cl)o1 ZINC000002025875 24/12/00/431241200 NKFFAVXAFODRTM-UHFFFAOYSA-N 0 312.778 DG 3.435 0 Anodyne ref DGAARN CCCOC(=O)CSc1nnc(-c2ccccc2Cl)o1 COc1cc2nc(Cl)nc(N3CCCCC3)c2cc1OC ZINC000002026559 85/74/65/277857465 DWOFFORQAYHWLH-UHFFFAOYSA-N 0 307.781 DG 3.291 0 Anodyne ref DGAARN COc1cc2nc(Cl)nc(N3CCCCC3)c2cc1OC Clc1nccc(N2CCN(c3ccccc3Cl)CC2)n1 ZINC000002026825 24/33/16/431243316 FNALWOSQNHVKOI-UHFFFAOYSA-N 0 309.2 DG 3.11 0 Anodyne ref DGAARN Clc1nccc(N2CCN(c3ccccc3Cl)CC2)n1 Clc1ccc(N2CCN(c3ccnc(Cl)n3)CC2)cc1 ZINC000002026827 24/30/56/431243056 DWCXTNKOXZTRFK-UHFFFAOYSA-N 0 309.2 DG 3.11 0 Anodyne ref DGAARN Clc1ccc(N2CCN(c3ccnc(Cl)n3)CC2)cc1 O=S(=O)(O)c1cnccc1Nc1cccc(C(F)(F)F)c1 ZINC000002027550 24/08/73/431240873 FPVYSCWBQXMSMQ-UHFFFAOYSA-N 0 318.276 DG 3.091 1 Anodyne mid DGAAMN O=S(=O)([O-])c1c[nH+]ccc1Nc1cccc(C(F)(F)F)c1 O=S(=O)(O)c1cnccc1Nc1cccc(C(F)(F)F)c1 ZINC000002027550 24/08/59/431240859 FPVYSCWBQXMSMQ-UHFFFAOYSA-N -1 318.276 DG 3.091 0 Anodyne ref DGAARM O=S(=O)([O-])c1cnccc1Nc1cccc(C(F)(F)F)c1 O=S(=O)(O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000002027558 24/12/64/431241264 DSGDBCPTSMQPDY-UHFFFAOYSA-N -1 318.276 DG 3.091 0 Anodyne ref DGAARM O=S(=O)([O-])c1cccnc1Nc1cccc(C(F)(F)F)c1 O=S(=O)(O)c1ccc(Nc2cccc(C(F)(F)F)c2)nc1 ZINC000002027606 90/66/00/180906600 SUPVWUBEQKBRJF-UHFFFAOYSA-N -1 318.276 DG 3.091 0 Anodyne ref DGAARM O=S(=O)([O-])c1ccc(Nc2cccc(C(F)(F)F)c2)nc1 O=Cc1cn(CC(=O)N2CCc3ccccc32)c2ccccc12 ZINC000002506038 25/43/22/431254322 WNNUHYIGJUHJSO-UHFFFAOYSA-N 0 304.349 DG 3.043 0 Anodyne ref DGAARN O=Cc1cn(CC(=O)N2CCc3ccccc32)c2ccccc12 O=[N+]([O-])c1ccc2nc(Sc3ccnc(Cl)n3)[nH]c2c1 ZINC000004086063 07/12/59/181071259 TYMDBKZABGZLCQ-UHFFFAOYSA-N -1 307.722 DG 3.066 3 Bother high DGBAHM O=[N+]([O-])c1ccc2[n-]c(Sc3ccnc(Cl)n3)nc2c1 O=[N+]([O-])c1ccc2nc(Sc3ccnc(Cl)n3)[nH]c2c1 ZINC000004086063 07/12/56/181071256 TYMDBKZABGZLCQ-UHFFFAOYSA-N -1 307.722 DG 3.066 3 Bother high DGBAHM O=[N+]([O-])c1ccc2nc(Sc3ccnc(Cl)n3)[n-]c2c1 O=[N+]([O-])c1ccc2nc(Sc3ccnc(Cl)n3)[nH]c2c1 ZINC000004086063 07/12/53/181071253 TYMDBKZABGZLCQ-UHFFFAOYSA-N 0 307.722 DG 3.066 0 Bother ref DGBARN O=[N+]([O-])c1ccc2[nH]c(Sc3ccnc(Cl)n3)nc2c1 Cc1c(Br)cc(N)c([N+](=O)[O-])c1Br ZINC000004086992 29/76/86/431297686 JJWQRWQMQJOBLA-UHFFFAOYSA-N 0 309.945 DG 3.01 0 Bother ref DGBARN Cc1c(Br)cc(N)c([N+](=O)[O-])c1Br C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)[C@@H]5O[C@@H]5[C@@]43C)[C@@H]1CCC2=O ZINC000004087226 08/50/99/400085099 CSOPPJRLYYLIIJ-OTDFSIKMSA-N 0 302.414 DG 3.155 0 Anodyne ref DGABRN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)[C@@H]5O[C@@H]5[C@@]43C)[C@@H]1CCC2=O C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)[C@@H]5O[C@@H]5[C@@]43C)[C@@H]1CCC2=O ZINC000004087231 07/10/23/181071023 CSOPPJRLYYLIIJ-DPJJEVCPSA-N 0 302.414 DG 3.155 0 Anodyne ref DGAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)[C@@H]5O[C@@H]5[C@@]43C)[C@@H]1CCC2=O CC(C)[C@H]1C(=O)O[C@H](c2ccccc2)N1C(=O)c1ccccc1 ZINC000004099542 36/35/72/280363572 CBMVKEBEKIEDBP-FUHWJXTLSA-N 0 309.365 DG 3.409 0 Anodyne ref DGAARN CC(C)[C@H]1C(=O)O[C@H](c2ccccc2)N1C(=O)c1ccccc1 CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC(C)=O)cc2)cc1 ZINC000004099900 07/33/36/181073336 LOJPXZIWUJIYDA-LFYBBSHMSA-N 0 324.332 DG 3.433 0 Mild ref DGEARN CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC(C)=O)cc2)cc1 O=C(O)c1c(NC(=O)C(F)(F)F)sc2c1CCCCC2 ZINC000004099967 07/37/32/181073732 OBUFCAALNYXVJA-UHFFFAOYSA-N -1 307.293 DG 3.216 0 Anodyne ref DGAARM O=C([O-])c1c(NC(=O)C(F)(F)F)sc2c1CCCCC2 COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c(OC)c1 ZINC000004100761 07/33/49/181073349 UXUFMIJZNYXWDX-VMPITWQZSA-N 0 300.31 DG 3.011 1 Mild mid DGEAMN COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c(OC)c1 in-man endogenous COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c(OC)c1 ZINC000004100761 07/33/48/181073348 UXUFMIJZNYXWDX-VMPITWQZSA-N -1 300.31 DG 3.011 0 Mild ref DGEARM COc1cc([O-])c(C(=O)/C=C/c2ccc(O)cc2)c(OC)c1 in-man endogenous COc1cc(O)c(C(=O)/C=C/c2ccc(F)cc2)c(OC)c1 ZINC000004100771 07/33/45/181073345 WZCYSJXPWSPCHO-VMPITWQZSA-N 0 302.301 DG 3.445 1 Mild mid DGEAMN COc1cc(O)c(C(=O)/C=C/c2ccc(F)cc2)c(OC)c1 COc1cc(O)c(C(=O)/C=C/c2ccc(F)cc2)c(OC)c1 ZINC000004100771 07/33/43/181073343 WZCYSJXPWSPCHO-VMPITWQZSA-N -1 302.301 DG 3.445 0 Mild ref DGEARM COc1cc([O-])c(C(=O)/C=C/c2ccc(F)cc2)c(OC)c1 COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(OC)c1 ZINC000004100777 07/33/72/181073372 ZWNLSRDFHQCTQW-RMKNXTFCSA-N 0 314.337 DG 3.314 0 Mild ref DGEARN COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(OC)c1 in-vitro biogenic CC(=O)Nc1ccc([N+](=O)[O-])c2c(Br)cccc12 ZINC000004127886 49/46/81/275494681 LWIKPHBYTZMRQM-UHFFFAOYSA-N 0 309.119 DG 3.469 0 Bother ref DGBARN CC(=O)Nc1ccc([N+](=O)[O-])c2c(Br)cccc12 COc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000004962380 18/00/04/181180004 JUQSDJRNZBRVHE-UHFFFAOYSA-N 0 304.258 DG 3.187 0 Bother ref DGBARN COc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 O=C(O)/C(=C/c1cnc2ccccc2c1)NC(=O)c1ccccc1 ZINC000005041155 19/50/99/181195099 RRHKHHQZEFODLT-BOPFTXTBSA-N -1 318.332 DG 3.09 0 Anodyne ref DGAARM O=C([O-])/C(=C/c1cnc2ccccc2c1)NC(=O)c1ccccc1 CC(C)(C)OC(=O)N/C(=C\c1c[nH]c2ccccc12)C(=O)O ZINC000005045511 19/62/06/181196206 CNXVARGTLHOFML-JYRVWZFOSA-N -1 302.33 DG 3.118 0 Anodyne ref DGAARM CC(C)(C)OC(=O)N/C(=C\c1c[nH]c2ccccc12)C(=O)[O-] COc1ccc(C(=O)C[C@@](C)(O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005046475 19/60/46/181196046 PARBWVHAZFFJOC-QGZVFWFLSA-N 0 315.325 DG 3.084 0 Bother ref DGBARN COc1ccc(C(=O)C[C@@](C)(O)c2cccc([N+](=O)[O-])c2)cc1 COc1ccc(C(=O)C[C@](C)(O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005046483 19/65/71/181196571 PARBWVHAZFFJOC-KRWDZBQOSA-N 0 315.325 DG 3.084 0 Bother ref DGBARN COc1ccc(C(=O)C[C@](C)(O)c2cccc([N+](=O)[O-])c2)cc1 C/C(NCc1ccco1)=C1/N=C(c2ccc(Cl)cc2)OC1=O ZINC000006373561 33/51/79/181335179 PXXHXNJGFVNSSA-UVTDQMKNSA-N 0 316.744 DG 3.258 0 Anodyne ref DGAARN CC(NCc1ccco1)=C1N=C(c2ccc(Cl)cc2)OC1=O C/C(NC1CCCC1)=C1\N=C(c2ccc(Cl)cc2)OC1=O ZINC000006492635 34/58/49/181345849 GKJCDGKNILQRRE-GXDHUFHOSA-N 0 304.777 DG 3.407 0 Anodyne ref DGAARN CC(NC1CCCC1)=C1N=C(c2ccc(Cl)cc2)OC1=O C/C(NCc1ccc(Cl)cc1)=C1\N=C(c2ccco2)OC1=O ZINC000006492637 34/58/20/181345820 LROIWPGMHBXSDU-GXDHUFHOSA-N 0 316.744 DG 3.258 0 Anodyne ref DGAARN CC(NCc1ccc(Cl)cc1)=C1N=C(c2ccco2)OC1=O Cc1cc(Br)c(N)c(Br)c1[N+](=O)[O-] ZINC000007023435 62/59/41/278625941 VTJZDAXQMSBASS-UHFFFAOYSA-N 0 309.945 DG 3.01 0 Bother ref DGBARN Cc1cc(Br)c(N)c(Br)c1[N+](=O)[O-] Cc1ccc(S(=O)(=O)n2ccc3c(Cl)ccnc32)cc1 ZINC000007023445 43/26/82/181432682 RXOUGGMZMDZDCE-UHFFFAOYSA-N 0 306.774 DG 3.235 0 Anodyne ref DGAARN Cc1ccc(S(=O)(=O)n2ccc3c(Cl)ccnc32)cc1 COc1ccc(N(C=O)/C=C2\Sc3ccccc3C2=O)cc1 ZINC000012559964 77/65/24/181776524 JKUGQXOSVGWFFB-YBEGLDIGSA-N 0 311.362 DG 3.488 0 Mild ref DGEARN COc1ccc(N(C=O)/C=C2\Sc3ccccc3C2=O)cc1 CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccccc1O ZINC000015930497 02/53/21/182025321 LIFPSULRQAWLDN-UVTDQMKNSA-N -2 311.316 DG 3.25 3 Clean high DGCAHL Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccccc1[O-] CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccccc1O ZINC000015930497 02/53/19/182025319 LIFPSULRQAWLDN-UVTDQMKNSA-N 0 311.316 DG 3.25 2 Clean low DGCALN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccccc1O CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccccc1O ZINC000015930497 02/53/18/182025318 LIFPSULRQAWLDN-UVTDQMKNSA-N -1 311.316 DG 3.25 1 Clean mid DGCAMM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccccc1O CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccccc1O ZINC000015930497 02/53/16/182025316 LIFPSULRQAWLDN-UVTDQMKNSA-N 0 311.316 DG 3.25 0 Clean ref DGCARN CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccccc1O CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(O)cc1 ZINC000015930675 02/54/17/182025417 HQZYBFGGOJSYIE-YBEGLDIGSA-N 0 311.316 DG 3.25 0 Clean ref DGCARN CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc(O)cc1 C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)[C@@H]5O[C@@H]5[C@]34C)[C@@H]1CCC2=O ZINC000017111165 07/57/33/182075733 CSOPPJRLYYLIIJ-WGLVHGMPSA-N 0 302.414 DG 3.155 0 Anodyne ref DGAARN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)[C@@H]5O[C@@H]5[C@]34C)[C@@H]1CCC2=O C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CC(=O)[C@@H]5O[C@@H]5[C@@]43C)[C@@H]1CCC2=O ZINC000017111167 17/70/73/400177073 CSOPPJRLYYLIIJ-IIHYKDMNSA-N 0 302.414 DG 3.155 0 Anodyne ref DGABRN C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CC(=O)[C@@H]5O[C@@H]5[C@@]43C)[C@@H]1CCC2=O O=C1OC(c2ccc(Cl)cc2)=N/C1=C\Nc1cccc(O)c1 ZINC000017111265 07/54/71/182075471 MMMREEVFYBBUHT-ZROIWOOFSA-N 0 314.728 DG 3.303 0 Anodyne ref DGAARN O=C1OC(c2ccc(Cl)cc2)=NC1=CNc1cccc(O)c1 O=C/C=C/c1ccc(-c2cn3cc(/C=C/C=O)ccc3n2)cc1 ZINC000017111559 07/56/28/182075628 ULOGAXDYVSGORE-ZPUQHVIOSA-N 0 302.333 DG 3.426 0 Reactive ref DGGARN O=C/C=C/c1ccc(-c2cn3cc(/C=C/C=O)ccc3n2)cc1 O=C1c2ccccc2C(=O)N1Nc1ccc(Br)cc1 ZINC000019872603 33/16/68/280331668 LMZXNMJADPGCMG-UHFFFAOYSA-N 0 317.142 DG 3.072 0 Anodyne ref DGAARN O=C1c2ccccc2C(=O)N1Nc1ccc(Br)cc1 Cc1cccc(COc2ccc(C(=O)O)nc2Br)c1 ZINC000019872947 15/91/36/182159136 TTWAGSZQFRSXRK-UHFFFAOYSA-N -1 322.158 DG 3.43 0 Anodyne ref DGAARM Cc1cccc(COc2ccc(C(=O)[O-])nc2Br)c1 COc1cccc(-c2cc(=O)c3c(OC)cc(OC)cc3o2)c1 ZINC000019926778 16/50/76/182165076 VXUYWDCUZZMTJC-UHFFFAOYSA-N 0 312.321 DG 3.486 0 Anodyne ref DGAARN COc1cccc(-c2cc(=O)c3c(OC)cc(OC)cc3o2)c1 O=C1OC(c2ccc(Cl)cc2)=N/C1=C\NCc1ccccc1 ZINC000020032571 18/19/49/182181949 ZBAMTQNMCGRDCG-PTNGSMBKSA-N 0 312.756 DG 3.275 0 Anodyne ref DGAARN O=C1OC(c2ccc(Cl)cc2)=NC1=CNCc1ccccc1 Brc1ccc(Br)c(Br)n1 ZINC000042784386 86/56/58/431865658 DEFQJQYLAIGWAG-UHFFFAOYSA-N 0 315.79 DG 3.369 0 Anodyne ref DGAARN Brc1ccc(Br)c(Br)n1 CCOC(=O)/C(=C/NCc1cc(Cl)ccc1Cl)C(C)=O ZINC000068675330 13/81/76/431138176 WPJKVDFRWFTONB-XYOKQWHBSA-N 0 316.184 DG 3.119 0 Mild ref DGEARN CCOC(=O)C(=CNCc1cc(Cl)ccc1Cl)C(C)=O Cc1ccnc(N/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)c1 ZINC000100132566 98/08/45/431980845 UWSWFJYDFCUTKW-LCYFTJDESA-N 1 313.744 DG 3.3 2 Anodyne low DGAALO Cc1cc[nH+]c(NC=C2N=C(c3ccc(Cl)cc3)OC2=O)c1 Cc1ccnc(N/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)c1 ZINC000100132566 98/08/42/431980842 UWSWFJYDFCUTKW-LCYFTJDESA-N 0 313.744 DG 3.3 0 Anodyne ref DGAARN Cc1ccnc(NC=C2N=C(c3ccc(Cl)cc3)OC2=O)c1 N#Cc1ccc(Cl)cc1N/C=C\c1nnnn1-c1ccccc1 ZINC000100395007 79/93/12/193799312 GVDJFJYZMWLOTD-HJWRWDBZSA-N 0 322.759 DG 3.27 0 Mild ref DGEARN N#Cc1ccc(Cl)cc1NC=Cc1nnnn1-c1ccccc1 O=C1CCC/C1=C\Nc1ccc(I)cc1 ZINC000100419152 78/54/04/284785404 CYANIEXSZPYEDH-CMDGGOBGSA-N 0 313.138 DG 3.34 0 Mild ref DGEARN O=C1CCCC1=CNc1ccc(I)cc1 O=C1OC(c2ccc(Cl)cc2)=N/C1=C/Nc1ccc(O)cc1 ZINC000100713975 98/26/19/431982619 UIJRBWYZJBHKLC-NTEUORMPSA-N 0 314.728 DG 3.303 0 Anodyne ref DGAARN O=C1OC(c2ccc(Cl)cc2)=NC1=CNc1ccc(O)cc1 Cc1ccc(S(=O)(=O)Nc2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000196530965 25/64/82/546256482 UXGMMQXTYNJRBG-UHFFFAOYSA-N 0 306.343 DG 3.012 2 Bother low DGBALN Cc1ccc(S(=O)(=O)Nc2cc(C)ccc2[N+](=O)[O-])cc1 Cc1ccc(S(=O)(=O)Nc2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000196530965 25/64/74/546256474 UXGMMQXTYNJRBG-UHFFFAOYSA-N 0 306.343 DG 3.012 0 Bother ref DGBARN Cc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2[N+](=O)[O-])cc1 CCOC(=O)CC(=O)c1cc2cc(OC)c(OC)cc2s1 ZINC000216699053 26/25/86/546262586 ILVCLFNAQUODEA-UHFFFAOYSA-N -1 308.355 DG 3.054 0 Unstable ref DGIARM CCOC(=O)C=C([O-])c1cc2cc(OC)c(OC)cc2s1 C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)[C@@H]5O[C@@H]5[C@@]43C)[C@H]1CCC2=O ZINC000239562574 25/98/94/257259894 CSOPPJRLYYLIIJ-BEELOAJOSA-N 0 302.414 DG 3.155 0 Anodyne ref DGAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)[C@@H]5O[C@@H]5[C@@]43C)[C@H]1CCC2=O C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CC(=O)[C@@H]5O[C@@H]5[C@@]43C)[C@H]1CCC2=O ZINC000239562575 47/07/52/337470752 CSOPPJRLYYLIIJ-QUJYCBQSSA-N 0 302.414 DG 3.155 0 Anodyne ref DGABRN C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CC(=O)[C@@H]5O[C@@H]5[C@@]43C)[C@H]1CCC2=O