CCOC(=O)n1nc(N)c2c1CN(C(=O)OC(C)(C)C)C2 ZINC000000002966 87/98/30/355879830 VUWAGENLXQIUJY-UHFFFAOYSA-N 0 296.327 CD 1.721 0 Anodyne ref CDAARN CCOC(=O)n1nc(N)c2c1CN(C(=O)OC(C)(C)C)C2 Nc1nnc(SCC(=O)Nc2ccc(F)cc2)s1 ZINC000000036098 88/03/25/355880325 GQTAEOVGIVHVTJ-UHFFFAOYSA-N 0 284.341 CD 1.99 0 Anodyne ref CDAARN Nc1nnc(SCC(=O)Nc2ccc(F)cc2)s1 O=C1C=CC(=O)N1c1ccccc1Br ZINC000000098654 31/40/74/296314074 ZTHZEDRPKCLGAR-UHFFFAOYSA-N 0 252.067 CD 1.878 0 Anodyne ref CDAARN O=C1C=CC(=O)N1c1ccccc1Br COc1ccccc1NC(=O)CSCC(=O)O ZINC000000286044 59/72/55/169597255 GGANURIIYNEXHA-UHFFFAOYSA-N -1 255.295 CD 1.452 0 Anodyne ref CDABRM COc1ccccc1NC(=O)CSCC(=O)[O-] CC1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 ZINC000000287921 90/08/62/355900862 NTUKRLPMKLQAAE-UHFFFAOYSA-N 0 254.355 CD 1.689 0 Anodyne ref CDAARN CC1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 O=C(O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 ZINC000000408797 38/02/85/342380285 NIGPPPVPMJYXFY-LYIQGSDWSA-N -1 283.283 CD 1.696 0 Anodyne ref CDAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(N)cc2)C1 ZINC000000611125 11/62/81/291116281 CRYNHMDLCOBJQA-QWRGUYRKSA-N 0 268.382 CD 1.935 0 Anodyne ref CDAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(N)cc2)C1 Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1 ZINC000001458748 93/78/21/355937821 RFJHMCHPQLPJGP-UHFFFAOYSA-N 0 273.317 CD 1.564 0 Anodyne ref CDAARN Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1 CC(C)(C)OC(=O)N1CCC(COS(C)(=O)=O)CC1 ZINC000002576507 81/24/69/169812469 RXNQBVRCZIYUJK-UHFFFAOYSA-N 0 293.385 CD 1.61 0 Mild ref CDEARN CC(C)(C)OC(=O)N1CCC(COS(C)(=O)=O)CC1 C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N)cc2)C1 ZINC000002857128 23/27/94/297232794 CRYNHMDLCOBJQA-GHMZBOCLSA-N 0 268.382 CD 1.935 0 Anodyne ref CDAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N)cc2)C1 COC(=O)c1ccc(CSc2nnc(N)s2)o1 ZINC000003513205 89/32/03/169893203 QBHHPIXXEHGBGO-UHFFFAOYSA-N 0 271.323 CD 1.792 0 Anodyne ref CDAARN COC(=O)c1ccc(CSc2nnc(N)s2)o1 O=S(=O)(CC[C@@H]1CCCCN1)c1ccccc1 ZINC000003882656 01/17/11/356011711 ACPAJXSEQAMCLG-LBPRGKRZSA-N 1 253.367 CD 1.993 0 Anodyne ref CDAARO O=S(=O)(CC[C@@H]1CCCC[NH2+]1)c1ccccc1 O=S(=O)(CC[C@H]1CCCCN1)c1ccccc1 ZINC000003882657 91/98/97/169919897 ACPAJXSEQAMCLG-GFCCVEGCSA-N 1 253.367 CD 1.993 0 Anodyne ref CDAARO O=S(=O)(CC[C@H]1CCCC[NH2+]1)c1ccccc1 O=[N+]([O-])c1ccc(N2CCC3(CC2)OCCO3)cc1 ZINC000004243154 36/60/51/280366051 SHLUSCRJQRVCSR-UHFFFAOYSA-N 0 264.281 CD 1.938 0 Bother ref CDBARN O=[N+]([O-])c1ccc(N2CCC3(CC2)OCCO3)cc1 O=C(O)CSCc1nc2ccccc2c(=O)[nH]1 ZINC000004251150 07/30/46/304073046 JOCGAEKYARPXQC-UHFFFAOYSA-N -1 250.279 CD 1.241 0 Anodyne ref CDAARM O=C([O-])CSCc1nc2ccccc2c(=O)[nH]1 CCOC(=O)CC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000005796038 14/10/13/170141013 DCOGHGQVIZGVSA-UHFFFAOYSA-N 0 295.335 CD 1.316 0 Anodyne ref CDABRN CCOC(=O)CC(=O)NCCc1ccc(OC)c(OC)c1 CS(=O)(=O)N1CC2(CCNCC2)c2ccccc21 ZINC000006850018 17/25/66/274172566 NSECJXCOETXUHS-UHFFFAOYSA-N 1 266.366 CD 1.087 0 Anodyne ref CDAARO CS(=O)(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 COc1ccc2c(c1)cc(/C=C/C(=O)O)c(=O)n2C ZINC000008039543 27/78/28/295277828 HCQDEZBVPONVNF-ZZXKWVIFSA-N -1 259.261 CD 1.645 0 Anodyne ref CDAARM COc1ccc2c(c1)cc(/C=C/C(=O)[O-])c(=O)n2C O=C(O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 ZINC000008468327 24/61/91/304246191 NIGPPPVPMJYXFY-NIFPGPBJSA-N -1 283.283 CD 1.696 0 Anodyne ref CDAARM O=C([O-])c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 Nc1nc(S(=O)(=O)Cc2ccc(Cl)cc2)ns1 ZINC000008715440 34/88/10/170348810 ONMQBHDWWNARKK-UHFFFAOYSA-N 0 289.769 CD 1.748 0 Anodyne ref CDAARN Nc1nc(S(=O)(=O)Cc2ccc(Cl)cc2)ns1 COc1ccc2cc(/C=C/C(=O)O)c(=O)n(C)c2c1 ZINC000008733259 35/20/78/170352078 IMKYKJSKOLSICI-GQCTYLIASA-N -1 259.261 CD 1.645 0 Anodyne ref CDAARM COc1ccc2cc(/C=C/C(=O)[O-])c(=O)n(C)c2c1 CNC(=O)c1cc(Oc2ccc(N)c(F)c2)ccn1 ZINC000008764138 35/47/88/170354788 ZQHJPIPGBODVTG-UHFFFAOYSA-N 0 261.256 CD 1.955 0 Anodyne ref CDAARN CNC(=O)c1cc(Oc2ccc(N)c(F)c2)ccn1 Nc1nc(S(=O)(=O)Cc2ccccc2)ns1 ZINC000009614834 38/29/11/170382911 QSNVZCOWPJTFMF-UHFFFAOYSA-N 0 255.324 CD 1.094 0 Anodyne ref CDAARN Nc1nc(S(=O)(=O)Cc2ccccc2)ns1 O=C(N[C@H](C(=O)O)c1ccccc1)c1cccnc1 ZINC000011890571 45/41/04/170454104 BUSIYSSCUWXQNM-LBPRGKRZSA-N -1 256.261 CD 1.637 0 Anodyne ref CDAARM O=C(N[C@H](C(=O)[O-])c1ccccc1)c1cccnc1 O=C(N[C@@H](C(=O)O)c1ccccc1)c1cccnc1 ZINC000011890575 28/21/96/356282196 BUSIYSSCUWXQNM-GFCCVEGCSA-N -1 256.261 CD 1.637 0 Anodyne ref CDAARM O=C(N[C@@H](C(=O)[O-])c1ccccc1)c1cccnc1 CCOC(=O)c1c(N)sc2c1CCC1(C2)OCCO1 ZINC000011919367 62/13/90/391621390 HATAXVHWNRVHSI-UHFFFAOYSA-N 0 283.349 CD 1.739 0 Anodyne ref CDABRN CCOC(=O)c1c(N)sc2c1CCC1(C2)OCCO1 Cc1cc(Br)c2nc(O)cc(=O)n2c1 ZINC000011919384 28/41/43/356284143 GDFHXJXNYYMCMC-UHFFFAOYSA-N 0 255.071 CD 1.471 1 Anodyne mid CDAAMN Cc1cc(Br)c2nc(O)cc(=O)n2c1 Cc1cc(Br)c2nc(O)cc(=O)n2c1 ZINC000011919384 28/41/40/356284140 GDFHXJXNYYMCMC-UHFFFAOYSA-N -1 255.071 CD 1.471 0 Anodyne ref CDAARM Cc1cc(Br)c2nc([O-])cc(=O)n2c1 O=c1[nH]cnc2sc3c(c12)CCC1(C3)OCCO1 ZINC000011919427 18/80/90/361188090 DKGMOQMJDITPEE-UHFFFAOYSA-N 0 264.306 CD 1.216 0 Anodyne ref CDABRN O=c1nc[nH]c2sc3c(c12)CCC1(C3)OCCO1 COc1ccc(-c2cn(CC(=O)O)c(=O)cn2)cc1 ZINC000011920669 28/51/38/356285138 CXVYOUHRBQWAFL-UHFFFAOYSA-N -1 260.249 CD 1.003 0 Anodyne ref CDAARM COc1ccc(-c2cn(CC(=O)[O-])c(=O)cn2)cc1 Nc1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000012243762 29/17/17/356291717 ZVXSBZYQPSCWJX-LLVKDONJSA-N 0 277.349 CD 1.492 0 Anodyne ref CDAARN Nc1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1 Nc1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000012243764 29/21/07/356292107 ZVXSBZYQPSCWJX-NSHDSACASA-N 0 277.349 CD 1.492 0 Anodyne ref CDAARN Nc1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1 NC1=NC(=O)C(c2ccccc2)(c2ccccc2)N1 ZINC000012376028 29/56/61/356295661 KMAGLUVYQQBXIR-UHFFFAOYSA-N 0 251.289 CD 1.375 0 Anodyne ref CDAARN NC1=NC(=O)C(c2ccccc2)(c2ccccc2)N1 C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N)cc2)C1 ZINC000012504618 36/20/33/297362033 CRYNHMDLCOBJQA-PHIMTYICSA-N 0 268.382 CD 1.935 0 Anodyne ref CDAARN C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N)cc2)C1 CC(C)(C)c1cc(N)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000012505374 49/15/47/170491547 WQFAYWXQQKDDJF-MRVPVSSYSA-N 0 257.359 CD 1.122 0 Anodyne ref CDAARN CC(C)(C)c1cc(N)n([C@@H]2CCS(=O)(=O)C2)n1 CC(C)(C)c1cc(N)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000012505375 30/24/13/356302413 WQFAYWXQQKDDJF-QMMMGPOBSA-N 0 257.359 CD 1.122 0 Anodyne ref CDAARN CC(C)(C)c1cc(N)n([C@H]2CCS(=O)(=O)C2)n1 CCOC(=O)N1CCN(c2ccc(C=O)cc2)CC1 ZINC000015019556 40/43/84/356404384 FCVYKVPKIWJABG-UHFFFAOYSA-N 0 262.309 CD 1.778 0 Anodyne ref CDAARN CCOC(=O)N1CCN(c2ccc(C=O)cc2)CC1 CCN1CCN([C@@H](CN)c2ccc(OC)c(OC)c2)CC1 ZINC000019795704 28/11/37/367281137 QZBMFDWYLAINFN-AWEZNQCLSA-N 1 293.411 CD 1.341 1 Anodyne mid CDABMO CCN1CCN([C@@H](C[NH3+])c2ccc(OC)c(OC)c2)CC1 CCN1CCN([C@@H](CN)c2ccc(OC)c(OC)c2)CC1 ZINC000019795704 28/11/30/367281130 QZBMFDWYLAINFN-AWEZNQCLSA-N 2 293.411 CD 1.341 0 Anodyne ref CDABRP CC[NH+]1CCN([C@@H](C[NH3+])c2ccc(OC)c(OC)c2)CC1 CCN1CCN([C@H](CN)c2ccc(OC)c(OC)c2)CC1 ZINC000019795706 28/06/34/367280634 QZBMFDWYLAINFN-CQSZACIVSA-N 1 293.411 CD 1.341 1 Anodyne mid CDABMO CCN1CCN([C@H](C[NH3+])c2ccc(OC)c(OC)c2)CC1 CCN1CCN([C@H](CN)c2ccc(OC)c(OC)c2)CC1 ZINC000019795706 28/06/29/367280629 QZBMFDWYLAINFN-CQSZACIVSA-N 2 293.411 CD 1.341 0 Anodyne ref CDABRP CC[NH+]1CCN([C@H](C[NH3+])c2ccc(OC)c(OC)c2)CC1 Nc1cc(-c2ccco2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000020284217 13/36/26/171133626 JGZHDTDRURPGBC-MRVPVSSYSA-N 0 267.31 CD 1.085 0 Anodyne ref CDAARN Nc1cc(-c2ccco2)nn1[C@@H]1CCS(=O)(=O)C1 Nc1cc(-c2ccco2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000020284221 13/35/56/171133556 JGZHDTDRURPGBC-QMMMGPOBSA-N 0 267.31 CD 1.085 0 Anodyne ref CDAARN Nc1cc(-c2ccco2)nn1[C@H]1CCS(=O)(=O)C1 Nc1cc(-c2cccs2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000026423726 69/25/11/356692511 KTZNAYRHOIHDHB-MRVPVSSYSA-N 0 283.378 CD 1.553 0 Anodyne ref CDAARN Nc1cc(-c2cccs2)nn1[C@@H]1CCS(=O)(=O)C1 Nc1cc(-c2cccs2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000026423730 48/38/45/171483845 KTZNAYRHOIHDHB-QMMMGPOBSA-N 0 283.378 CD 1.553 0 Anodyne ref CDAARN Nc1cc(-c2cccs2)nn1[C@H]1CCS(=O)(=O)C1 COc1cc(I)c(OC)nn1 ZINC000026506906 24/98/59/390249859 PBOOYGQKAOBZFJ-UHFFFAOYSA-N 0 266.038 CD 1.098 0 Anodyne ref CDABRN COc1cc(I)c(OC)nn1 CC(C)(C)C(=O)Nc1cc(C(=O)O)c(Cl)nn1 ZINC000026506924 15/85/86/391158586 JWJVIAZZAUTXAF-UHFFFAOYSA-N -1 257.677 CD 1.813 0 Anodyne ref CDAARM CC(C)(C)C(=O)Nc1cc(C(=O)[O-])c(Cl)nn1 Cc1ccc2oc(=O)cc(CS(C)(=O)=O)c2c1 ZINC000026507115 76/75/43/358767543 WZRNEWMKCRZKFZ-UHFFFAOYSA-N 0 252.291 CD 1.646 0 Anodyne ref CDABRN Cc1ccc2oc(=O)cc(CS(C)(=O)=O)c2c1 Cc1ccc2c(CS(C)(=O)=O)cc(=O)oc2c1 ZINC000026507120 76/76/30/358767630 KEYRWCQPXWYRCB-UHFFFAOYSA-N 0 252.291 CD 1.646 0 Anodyne ref CDABRN Cc1ccc2c(CS(C)(=O)=O)cc(=O)oc2c1 Cc1cc2oc(=O)cc(CS(C)(=O)=O)c2cc1C ZINC000026507125 76/73/81/358767381 RPKQPNMSHGXEEU-UHFFFAOYSA-N 0 266.318 CD 1.954 0 Anodyne ref CDABRN Cc1cc2oc(=O)cc(CS(C)(=O)=O)c2cc1C Cc1ccc2c(CS(C)(=O)=O)cc(=O)oc2c1C ZINC000026507130 76/75/27/358767527 IDTPMXVFSQVVQI-UHFFFAOYSA-N 0 266.318 CD 1.954 0 Anodyne ref CDABRN Cc1ccc2c(CS(C)(=O)=O)cc(=O)oc2c1C CS(=O)(=O)Cc1cc(=O)oc2ccc(F)cc12 ZINC000026507134 76/74/57/358767457 DEBYQBPVWOJJNY-UHFFFAOYSA-N 0 256.254 CD 1.477 0 Anodyne ref CDABRN CS(=O)(=O)Cc1cc(=O)oc2ccc(F)cc12 Cn1cnnc1Sc1ccc(N)c(C(=O)O)c1 ZINC000037933759 05/04/38/362050438 HGWNRLZUQSHJCI-UHFFFAOYSA-N -1 250.283 CD 1.247 0 Anodyne ref CDABRM Cn1cnnc1Sc1ccc(N)c(C(=O)[O-])c1 N#Cc1c(N)cc(N)nc1N1CCN(c2ccccc2)CC1 ZINC000044018793 57/76/54/344577654 TZPSLKXEXJPVSB-UHFFFAOYSA-N 0 294.362 CD 1.444 1 Mild mid CDEBMN N#Cc1c(N)cc(N)nc1N1CCN(c2ccccc2)CC1 N#Cc1c(N)cc(N)nc1N1CCN(c2ccccc2)CC1 ZINC000044018793 57/76/53/344577653 TZPSLKXEXJPVSB-UHFFFAOYSA-N 1 294.362 CD 1.444 0 Mild ref CDEBRO N#Cc1c(N)cc(N)[nH+]c1N1CCN(c2ccccc2)CC1 O=C(CCl)Nc1ccccc1NC(=O)[C@@H]1CCCO1 ZINC000044831502 63/77/09/344637709 WDCIEXRAMPYOPM-NSHDSACASA-N 0 282.727 CD 1.981 0 Anodyne ref CDABRN O=C(CCl)Nc1ccccc1NC(=O)[C@@H]1CCCO1 O=C(CCl)Nc1ccccc1NC(=O)[C@H]1CCCO1 ZINC000044831505 54/87/31/346548731 WDCIEXRAMPYOPM-LLVKDONJSA-N 0 282.727 CD 1.981 0 Anodyne ref CDABRN O=C(CCl)Nc1ccccc1NC(=O)[C@H]1CCCO1 Nc1ccccc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC000044831520 13/90/45/342139045 CRSGVOKZXIHVQB-UHFFFAOYSA-N 0 289.379 CD 1.344 0 Anodyne ref CDABRN Nc1ccccc1N1CCC(C(=O)N2CCOCC2)CC1 Cc1c(C(=O)O)c(C(F)(F)F)nn1C[C@@H]1CCCN1 ZINC000044831571 13/90/20/342139020 JCTKXWPUAMONGU-ZETCQYMHSA-N 0 277.246 CD 1.661 0 Anodyne ref CDABRN Cc1c(C(=O)[O-])c(C(F)(F)F)nn1C[C@@H]1CCC[NH2+]1 Cc1c(C(=O)O)c(C(F)(F)F)nn1C[C@H]1CCCN1 ZINC000044831574 13/90/24/342139024 JCTKXWPUAMONGU-SSDOTTSWSA-N 0 277.246 CD 1.661 0 Anodyne ref CDABRN Cc1c(C(=O)[O-])c(C(F)(F)F)nn1C[C@H]1CCC[NH2+]1 Cc1c(C(=O)O)c(C(F)(F)F)nn1CC1CCNCC1 ZINC000044831577 63/82/35/344638235 QHKRIWRRJUOIJF-UHFFFAOYSA-N 0 291.273 CD 1.908 0 Anodyne ref CDABRN Cc1c(C(=O)[O-])c(C(F)(F)F)nn1CC1CC[NH2+]CC1 Cn1c(=O)c(-c2noc(CN)n2)cc2ccccc21 ZINC000049474319 04/85/73/362048573 GBJGQNHGQHYFSD-UHFFFAOYSA-N 1 256.265 CD 1.047 1 Anodyne mid CDABMO Cn1c(=O)c(-c2noc(C[NH3+])n2)cc2ccccc21 Cn1c(=O)c(-c2noc(CN)n2)cc2ccccc21 ZINC000049474319 04/85/56/362048556 GBJGQNHGQHYFSD-UHFFFAOYSA-N 0 256.265 CD 1.047 0 Anodyne ref CDABRN Cn1c(=O)c(-c2noc(CN)n2)cc2ccccc21 NCc1nc(-c2cc3cccc4c3n(c2=O)CCC4)no1 ZINC000049474320 27/94/21/295279421 NVAKRZFNRJVHMG-UHFFFAOYSA-N 1 282.303 CD 1.456 1 Anodyne mid CDABMO [NH3+]Cc1nc(-c2cc3cccc4c3n(c2=O)CCC4)no1 NCc1nc(-c2cc3cccc4c3n(c2=O)CCC4)no1 ZINC000049474320 27/94/20/295279420 NVAKRZFNRJVHMG-UHFFFAOYSA-N 0 282.303 CD 1.456 0 Anodyne ref CDABRN NCc1nc(-c2cc3cccc4c3n(c2=O)CCC4)no1 CCn1c(=O)c(-c2noc(CN)n2)cc2ccccc21 ZINC000062710742 94/08/28/390940828 KNROVRPCZJOIAT-UHFFFAOYSA-N 1 270.292 CD 1.53 1 Anodyne mid CDABMO CCn1c(=O)c(-c2noc(C[NH3+])n2)cc2ccccc21 CCn1c(=O)c(-c2noc(CN)n2)cc2ccccc21 ZINC000062710742 94/08/27/390940827 KNROVRPCZJOIAT-UHFFFAOYSA-N 0 270.292 CD 1.53 0 Anodyne ref CDABRN CCn1c(=O)c(-c2noc(CN)n2)cc2ccccc21 COc1ccccc1N1CCN(C(C)(C)CN)CC1 ZINC000096828961 74/04/24/358740424 NABYBPODRULLMO-UHFFFAOYSA-N 1 263.385 CD 1.554 0 Anodyne ref CDAARO COc1ccccc1N1CCN(C(C)(C)C[NH3+])CC1 CCn1c(=O)c(-c2n[nH]c(N)n2)cc2ccccc21 ZINC000096838248 17/75/68/342177568 XOBNMOPBINCAMR-UHFFFAOYSA-N 0 255.281 CD 1.389 0 Anodyne ref CDABRN CCn1c(=O)c(-c2nc(N)n[nH]2)cc2ccccc21 Nc1nc(-c2cc3cccc4c3n(c2=O)CCC4)n[nH]1 ZINC000096838253 17/76/52/342177652 BUMUIUNUXPTKMF-UHFFFAOYSA-N 0 267.292 CD 1.315 0 Anodyne ref CDABRN Nc1n[nH]c(-c2cc3cccc4c3n(c2=O)CCC4)n1 CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1 ZINC000100003099 70/04/19/185700419 LJXTYJXBORAIHX-UHFFFAOYSA-N 0 253.298 CD 1.654 0 Anodyne ref CDAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1 in-vitro CCOC(=O)/C=C1/NCCc2cc(OC)c(OC)cc21 ZINC000100404614 82/95/99/358829599 VOIIGMYUSKJRLD-FMIVXFBMSA-N 0 277.32 CD 1.753 0 Anodyne ref CDABRN CCOC(=O)C=C1NCCc2cc(OC)c(OC)cc21 COC(=O)c1cncc(OCCNC(=O)OC(C)(C)C)c1 ZINC000142108415 72/54/17/348725417 LFUWEBHQNUHTKN-UHFFFAOYSA-N 0 296.323 CD 1.772 0 Anodyne ref CDABRN COC(=O)c1cncc(OCCNC(=O)OC(C)(C)C)c1 O=C(CCO)NCc1ccc(Br)cc1F ZINC000238639292 69/92/88/256699288 OOFFDBBWKCLNOZ-UHFFFAOYSA-N 0 276.105 CD 1.587 0 Anodyne ref CDABRN O=C(CCO)NCc1ccc(Br)cc1F NCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000247710049 90/23/84/390902384 ILKASLNFEHWWFC-UHFFFAOYSA-N 1 287.728 CD 1.156 2 Anodyne low CDABLO [NH3+]Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 NCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000247710049 90/23/83/390902383 ILKASLNFEHWWFC-UHFFFAOYSA-N 0 287.728 CD 1.156 0 Anodyne ref CDABRN NCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1