N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1CCCO1 ZINC000000037470 01/79/67/264017967 RMFHJEFYUHZBKF-WEKMIXOTSA-N 0 324.302 DF 2.908 0 Reactive ref DFGARN N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1CCCO1 N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCCO1 ZINC000000037472 01/78/18/264017818 RMFHJEFYUHZBKF-GMMCIKNFSA-N 0 324.302 DF 2.908 0 Reactive ref DFGARN N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCCO1 Cc1c(C(=O)O)cccc1-c1ccc(/C=C(\C#N)C(=O)N(C)C)o1 ZINC000000037487 00/72/52/264007252 RCEILGPJESSNCG-FMIVXFBMSA-N -1 324.336 DF 2.948 0 Reactive ref DFGARM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C(\C#N)C(=O)N(C)C)o1 COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000000048772 53/16/04/425531604 VKVARPMNHYIHFA-CQSZACIVSA-N 0 318.442 DF 2.95 0 Anodyne ref DFAARN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(C(C)(C)C)cc1 COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000000048773 92/08/84/290920884 VKVARPMNHYIHFA-AWEZNQCLSA-N 0 318.442 DF 2.95 0 Anodyne ref DFAARN COC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(C(C)(C)C)cc1 CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OC(C)C ZINC000000072118 53/29/50/425532950 FILXBNBOVBFLHL-IZZDOVSWSA-N 0 324.764 DF 2.706 1 Anodyne mid DFAAMN CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OC(C)C CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OC(C)C ZINC000000072118 53/29/41/425532941 FILXBNBOVBFLHL-IZZDOVSWSA-N -1 324.764 DF 2.706 0 Anodyne ref DFAARM CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OC(C)C CC[C@@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)NC2=O)cc1OC ZINC000000072203 53/26/43/425532643 IEFDWUZKQGOQSI-JMUHATKESA-N 0 324.764 DF 2.706 1 Anodyne mid DFAAMN CC[C@@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)NC2=O)cc1OC CC[C@@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)NC2=O)cc1OC ZINC000000072203 53/26/27/425532627 IEFDWUZKQGOQSI-JMUHATKESA-N -1 324.764 DF 2.706 0 Anodyne ref DFAARM CC[C@@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)[N-]C2=O)cc1OC CC[C@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)NC2=O)cc1OC ZINC000000072209 53/27/53/425532753 IEFDWUZKQGOQSI-KIFNTFBYSA-N 0 324.764 DF 2.706 1 Anodyne mid DFAAMN CC[C@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)NC2=O)cc1OC CC[C@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)NC2=O)cc1OC ZINC000000072209 53/27/48/425532748 IEFDWUZKQGOQSI-KIFNTFBYSA-N -1 324.764 DF 2.706 0 Anodyne ref DFAARM CC[C@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)[N-]C2=O)cc1OC CCOc1c(Cl)cc(/C=C2/NC(=O)NC2=O)cc1Cl ZINC000000073885 53/31/35/425533135 ABZMBLPNZLSNGB-WEVVVXLNSA-N -1 301.129 DF 2.572 1 Anodyne mid DFAAMM CCOc1c(Cl)cc(/C=C2/NC(=O)[N-]C2=O)cc1Cl CCOc1c(Cl)cc(/C=C2/NC(=O)NC2=O)cc1Cl ZINC000000073885 53/31/32/425533132 ABZMBLPNZLSNGB-WEVVVXLNSA-N 0 301.129 DF 2.572 0 Anodyne ref DFAARN CCOc1c(Cl)cc(/C=C2/NC(=O)NC2=O)cc1Cl O=c1/c(=C\c2c[nH]c3ccccc23)sc2nc3ccccc3n12 ZINC000000083836 19/29/06/285192906 NBMUWXUNWZTERF-CXUHLZMHSA-N 0 317.373 DF 2.938 0 Anodyne ref DFAARN O=c1/c(=C\c2c[nH]c3ccccc23)sc2nc3ccccc3n12 CCc1ccc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)cc1 ZINC000000086593 53/42/78/425534278 YDZLZJCFNZGPJR-WOJGMQOQSA-N 0 308.389 DF 2.834 0 Mild ref DFEARN CCc1ccc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)cc1 COCc1cc(C)nc(SCC(=O)N2CCCCC2)c1C#N ZINC000000091856 68/99/27/180689927 POQNNXLREFMHEU-UHFFFAOYSA-N 0 319.43 DF 2.513 0 Mild ref DFEARN COCc1cc(C)nc(SCC(=O)N2CCCCC2)c1C#N O=C(O)COc1ccccc1C=C1C(=O)c2ccccc2C1=O ZINC000000092166 53/41/35/425534135 UNZWFLSKYYPNMM-UHFFFAOYSA-N -1 308.289 DF 2.613 0 Mild ref DFEARM O=C([O-])COc1ccccc1C=C1C(=O)c2ccccc2C1=O COCc1cc(C)nc2sc(C(=O)N3CCCCC3)c(N)c12 ZINC000000095221 53/63/62/425536362 FVNNYBWGXRDHNG-UHFFFAOYSA-N 0 319.43 DF 2.959 0 Anodyne ref DFAARN COCc1cc(C)nc2sc(C(=O)N3CCCCC3)c(N)c12 Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(F)cc3)C2=O)c1 ZINC000000111031 99/71/79/301997179 XYJLGBAPVLPREQ-XNTDXEJSSA-N 0 324.311 DF 2.801 2 Clean low DFCALN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(F)cc3)C2=O)c1 Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(F)cc3)C2=O)c1 ZINC000000111031 99/71/78/301997178 XYJLGBAPVLPREQ-XNTDXEJSSA-N -1 324.311 DF 2.801 0 Clean ref DFCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(F)cc3)C2=O)c1 Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000000176946 54/20/99/425542099 VLZNCISBKDHTJY-KEBDBYFISA-N 1 308.389 DF 2.634 2 Mild low DFEALO Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc([NH+](C)C)cc1 Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000000176946 54/20/95/425542095 VLZNCISBKDHTJY-KEBDBYFISA-N 0 308.389 DF 2.634 0 Mild ref DFEARN Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(N(C)C)cc1 Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccs3)C2=O)cc1 ZINC000000179622 54/13/51/425541351 NJLOBHSBFSRLRJ-UKTHLTGXSA-N 0 312.35 DF 2.723 2 Clean low DFCALN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccs3)C2=O)cc1 Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccs3)C2=O)cc1 ZINC000000179622 54/13/36/425541336 NJLOBHSBFSRLRJ-UKTHLTGXSA-N -1 312.35 DF 2.723 0 Clean ref DFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccs3)C2=O)cc1 Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(F)cc3)C2=O)cc1 ZINC000000179652 62/30/71/301623071 YPNVYBBMSBTWJM-XNTDXEJSSA-N 0 324.311 DF 2.801 2 Clean low DFCALN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(F)cc3)C2=O)cc1 Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(F)cc3)C2=O)cc1 ZINC000000179652 62/30/67/301623067 YPNVYBBMSBTWJM-XNTDXEJSSA-N -1 324.311 DF 2.801 0 Clean ref DFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(F)cc3)C2=O)cc1 CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1C ZINC000000199546 54/54/61/425545461 ZTWYFQFUVUVCQU-VIFPVBQESA-N 0 316.386 DF 2.742 0 Anodyne ref DFAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1C CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1C ZINC000000199549 94/50/96/281945096 ZTWYFQFUVUVCQU-SECBINFHSA-N 0 316.386 DF 2.742 0 Anodyne ref DFAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1C CCSc1nnc2c(n1)O[C@H](C)N(C(C)=O)c1ccccc1-2 ZINC000000206163 06/56/90/280065690 PEQLWCLQBCCQNG-SNVBAGLBSA-N 0 316.386 DF 2.742 0 Anodyne ref DFAARN CCSc1nnc2c(n1)O[C@H](C)N(C(C)=O)c1ccccc1-2 CCSc1nnc2c(n1)O[C@@H](C)N(C(C)=O)c1ccccc1-2 ZINC000000206164 54/48/21/425544821 PEQLWCLQBCCQNG-JTQLQIEISA-N 0 316.386 DF 2.742 0 Anodyne ref DFAARN CCSc1nnc2c(n1)O[C@@H](C)N(C(C)=O)c1ccccc1-2 O=C1C(=Cc2ccc(N3CCOCC3)cc2)C(=O)c2ccccc21 ZINC000000208111 01/92/39/285019239 UCJQBVPUNGLTLS-UHFFFAOYSA-N 0 319.36 DF 2.986 0 Mild ref DFEARN O=C1C(=Cc2ccc(N3CCOCC3)cc2)C(=O)c2ccccc21 CCc1ccc2c(c1)[C@@](O)(CC(=O)c1cccs1)C(=O)N2 ZINC000000235900 54/70/71/425547071 YCQASDRTRIYQOE-INIZCTEOSA-N 0 301.367 DF 2.723 0 Anodyne ref DFAARN CCc1ccc2c(c1)[C@@](O)(CC(=O)c1cccs1)C(=O)N2 CCc1ccc2c(c1)[C@](O)(CC(=O)c1cccs1)C(=O)N2 ZINC000000235904 54/72/51/425547251 YCQASDRTRIYQOE-MRXNPFEDSA-N 0 301.367 DF 2.723 0 Anodyne ref DFAARN CCc1ccc2c(c1)[C@](O)(CC(=O)c1cccs1)C(=O)N2 COc1ccc2nc(SCC(=O)Nc3nccs3)[nH]c2c1 ZINC000000274416 54/99/17/425549917 PBXSTQUDCKKOBF-UHFFFAOYSA-N 0 320.399 DF 2.759 1 Anodyne mid DFAAMN COc1ccc2nc(SCC(=O)Nc3nccs3)[nH]c2c1 COc1ccc2nc(SCC(=O)Nc3nccs3)[nH]c2c1 ZINC000000274416 54/99/08/425549908 PBXSTQUDCKKOBF-UHFFFAOYSA-N 0 320.399 DF 2.759 0 Anodyne ref DFAARN COc1ccc2[nH]c(SCC(=O)Nc3nccs3)nc2c1 O=C(O)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 ZINC000000316356 55/23/61/425552361 AMZAIPJCFMJTPM-UHFFFAOYSA-N -1 308.289 DF 2.613 0 Mild ref DFEARM O=C([O-])COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 COC(=O)COc1ccccc1C=C1C(=O)c2ccccc2C1=O ZINC000000316846 55/25/73/425552573 IETPKEXMBHPSKS-UHFFFAOYSA-N 0 322.316 DF 2.701 0 Mild ref DFEARN COC(=O)COc1ccccc1C=C1C(=O)c2ccccc2C1=O COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1c(C)cc(C)cc1C ZINC000000365718 91/83/66/290918366 SQULOVWZYPKGFC-HNNXBMFYSA-N 0 302.374 DF 2.755 0 Anodyne ref DFAARN COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1c(C)cc(C)cc1C COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1c(C)cc(C)cc1C ZINC000000365720 55/54/45/425555445 SQULOVWZYPKGFC-OAHLLOKOSA-N 0 302.374 DF 2.755 0 Anodyne ref DFAARN COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1c(C)cc(C)cc1C C=CCN1C(=O)[C@](O)(CC(=O)c2cccs2)c2ccccc21 ZINC000000365859 84/92/86/518849286 UZIOPIJDLCUNCU-KRWDZBQOSA-N 0 313.378 DF 2.741 0 Mild ref DFEARN C=CCN1C(=O)[C@](O)(CC(=O)c2cccs2)c2ccccc21 C=CCN1C(=O)[C@@](O)(CC(=O)c2cccs2)c2ccccc21 ZINC000000365860 84/45/20/518844520 UZIOPIJDLCUNCU-QGZVFWFLSA-N 0 313.378 DF 2.741 0 Mild ref DFEARN C=CCN1C(=O)[C@@](O)(CC(=O)c2cccs2)c2ccccc21 CCCN1C(=O)[C@](O)(CC(=O)c2cccs2)c2ccccc21 ZINC000000365863 76/83/31/180768331 IMOKNDGPFKNIDQ-KRWDZBQOSA-N 0 315.394 DF 2.965 0 Anodyne ref DFAARN CCCN1C(=O)[C@](O)(CC(=O)c2cccs2)c2ccccc21 CCCN1C(=O)[C@@](O)(CC(=O)c2cccs2)c2ccccc21 ZINC000000365865 55/51/97/425555197 IMOKNDGPFKNIDQ-QGZVFWFLSA-N 0 315.394 DF 2.965 0 Anodyne ref DFAARN CCCN1C(=O)[C@@](O)(CC(=O)c2cccs2)c2ccccc21 O=C1C(=Cc2ccc(N3CCOCC3)o2)C(=O)c2ccccc21 ZINC000000378454 55/74/64/425557464 ZRDURNMGRNGUPI-UHFFFAOYSA-N 0 309.321 DF 2.579 0 Mild ref DFEARN O=C1C(=Cc2ccc(N3CCOCC3)o2)C(=O)c2ccccc21 Cn1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c2ccccc21 ZINC000000378512 62/03/61/263620361 AMLVKYONAMEFQP-UFFVCSGVSA-N -1 320.327 DF 2.953 3 Reactive high DFGAHM Cn1cc(/C=N/[N-]C(=O)c2ccc(C#N)cc2F)c2ccccc21 Cn1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c2ccccc21 ZINC000000378512 62/03/56/263620356 AMLVKYONAMEFQP-UFFVCSGVSA-N 0 320.327 DF 2.953 0 Reactive ref DFGARN Cn1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c2ccccc21 CCc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000000446916 52/73/55/288527355 RMOVCWOZPGHHOA-VBKFSLOCSA-N 0 320.348 DF 2.915 2 Clean low DFCALN CCc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 CCc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000000446916 52/73/52/288527352 RMOVCWOZPGHHOA-VBKFSLOCSA-N -1 320.348 DF 2.915 0 Clean ref DFCARM CCc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 O=C1NC(=S)N/C1=C/c1ccc(Sc2ccccc2)o1 ZINC000000448609 56/21/13/425562113 IOUMSXQYZSOOCX-DHZHZOJOSA-N -1 302.38 DF 2.776 1 Anodyne mid DFAAMM O=C1[N-]C(=S)NC1=Cc1ccc(Sc2ccccc2)o1 O=C1NC(=S)N/C1=C/c1ccc(Sc2ccccc2)o1 ZINC000000448609 56/21/11/425562111 IOUMSXQYZSOOCX-DHZHZOJOSA-N 0 302.38 DF 2.776 0 Anodyne ref DFAARN O=C1NC(=S)NC1=Cc1ccc(Sc2ccccc2)o1 Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccco3)C2=O)cc1C ZINC000000450907 56/23/53/425562353 CYBBDJYBTGXJLO-NTEUORMPSA-N 0 310.309 DF 2.563 2 Clean low DFCALN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccco3)C2=O)cc1C Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccco3)C2=O)cc1C ZINC000000450907 56/23/49/425562349 CYBBDJYBTGXJLO-NTEUORMPSA-N -1 310.309 DF 2.563 0 Clean ref DFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccco3)C2=O)cc1C Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)o1 ZINC000000451315 47/99/05/301479905 KCHOYWQSXWRYKP-OQLLNIDSSA-N 0 324.336 DF 2.871 2 Clean low DFCALN Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)o1 Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)o1 ZINC000000451315 47/99/04/301479904 KCHOYWQSXWRYKP-OQLLNIDSSA-N -1 324.336 DF 2.871 0 Clean ref DFCARM Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)o1 Cc1ccc(C)c(/C=N/n2c(C)nnc2-n2nc(C)cc2C)c1 ZINC000000451813 79/55/95/180795595 UWOTUKJKOZMFNY-VCHYOVAHSA-N 0 308.389 DF 2.888 0 Mild ref DFEARN Cc1ccc(C)c(/C=N/n2c(C)nnc2-n2nc(C)cc2C)c1 CCOc1ccccc1/C=N/n1c(C)nnc1-n1nc(C)cc1C ZINC000000451939 56/13/31/425561331 DKVFUFWQNSGDIE-WOJGMQOQSA-N 0 324.388 DF 2.67 0 Mild ref DFEARN CCOc1ccccc1/C=N/n1c(C)nnc1-n1nc(C)cc1C CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(C)ccc1C ZINC000000451972 66/96/76/285669676 WFUZGPRIKSXVIG-AWEZNQCLSA-N 0 304.415 DF 2.659 0 Anodyne ref DFAARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(C)ccc1C CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(C)ccc1C ZINC000000451973 56/12/41/425561241 WFUZGPRIKSXVIG-CQSZACIVSA-N 0 304.415 DF 2.659 0 Anodyne ref DFAARN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(C)ccc1C Cc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 ZINC000000453003 56/19/04/425561904 LHMYYMUOZAGIAO-PTNGSMBKSA-N 0 312.369 DF 2.79 1 Clean mid DFCAMN Cc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 Cc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 ZINC000000453003 56/19/00/425561900 LHMYYMUOZAGIAO-PTNGSMBKSA-N -1 312.369 DF 2.79 0 Clean ref DFCARM Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1 Brc1ccc(-n2cccc2/C=N/n2cnnc2)cc1 ZINC000000454586 79/60/35/180796035 QKLARDNUOGWASM-CAOOACKPSA-N 0 316.162 DF 2.713 0 Mild ref DFEARN Brc1ccc(-n2cccc2/C=N/n2cnnc2)cc1 COc1ccc([N+](=O)[O-])cc1/C=C1\N=C(SC)SC1=O ZINC000000458108 79/68/25/180796825 QNAFPSZEKXPDSX-TWGQIWQCSA-N 0 310.356 DF 2.937 0 Mild ref DFEARN COc1ccc([N+](=O)[O-])cc1/C=C1\N=C(SC)SC1=O COc1ccc(/C=C2\N=C(SC)SC2=O)cc1OC(C)=O ZINC000000458297 79/74/39/180797439 FEZPLXDAHDHHMG-POHAHGRESA-N 0 323.395 DF 2.954 0 Mild ref DFEARN COc1ccc(/C=C2\N=C(SC)SC2=O)cc1OC(C)=O COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000000458316 56/20/54/425562054 ZZLPLVXNGLUDCG-CQSZACIVSA-N 0 302.374 DF 2.785 1 Anodyne mid DFAAMN COC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000000458316 56/20/51/425562051 ZZLPLVXNGLUDCG-CQSZACIVSA-N 0 302.374 DF 2.785 0 Anodyne ref DFAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000000458317 56/15/90/425561590 ZZLPLVXNGLUDCG-AWEZNQCLSA-N 0 302.374 DF 2.785 1 Anodyne mid DFAAMN COC(=O)C1C(C)=NC(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000000458317 56/15/86/425561586 ZZLPLVXNGLUDCG-AWEZNQCLSA-N 0 302.374 DF 2.785 0 Anodyne ref DFAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 COc1cc(/C=C2\N=C(SC)SC2=O)ccc1OC(C)=O ZINC000000458444 56/17/34/425561734 SXCVLQSELBPBLM-POHAHGRESA-N 0 323.395 DF 2.954 0 Mild ref DFEARN COc1cc(/C=C2\N=C(SC)SC2=O)ccc1OC(C)=O CCN1C(=O)[C@](O)(CC(=O)c2cccs2)c2ccccc21 ZINC000000465979 56/29/74/425562974 ISGZVFSIUHUHEP-INIZCTEOSA-N 0 301.367 DF 2.575 0 Anodyne ref DFAARN CCN1C(=O)[C@](O)(CC(=O)c2cccs2)c2ccccc21 CCN1C(=O)[C@@](O)(CC(=O)c2cccs2)c2ccccc21 ZINC000000465980 79/94/97/180799497 ISGZVFSIUHUHEP-MRXNPFEDSA-N 0 301.367 DF 2.575 0 Anodyne ref DFAARN CCN1C(=O)[C@@](O)(CC(=O)c2cccs2)c2ccccc21 CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)ccc1OC ZINC000000469609 56/36/38/425563638 JMVZPYLTRRMTEU-ZDUSSCGKSA-N 0 324.764 DF 2.54 0 Anodyne ref DFAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)ccc1OC CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)ccc1OC ZINC000000469611 56/35/66/425563566 JMVZPYLTRRMTEU-CYBMUJFWSA-N 0 324.764 DF 2.54 0 Anodyne ref DFAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)ccc1OC COc1cc(CO)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000000469764 56/31/73/425563173 XKRDJCYOQCBZQB-UHFFFAOYSA-N 0 301.342 DF 2.513 0 Anodyne ref DFAARN COc1cc(CO)ccc1OCC(=O)Nc1ccc(C)cc1 O=C(COc1ccc(CO)cc1Cl)Nc1ccc(F)cc1 ZINC000000470812 56/34/95/425563495 GCKSUKDFZLOFMQ-UHFFFAOYSA-N 0 309.724 DF 2.989 0 Anodyne ref DFAARN O=C(COc1ccc(CO)cc1Cl)Nc1ccc(F)cc1 CCc1cccc2c1NC(=O)[C@@]2(O)CC(=O)c1cccs1 ZINC000000471683 80/15/48/180801548 AEIWZHYVLIGWLG-MRXNPFEDSA-N 0 301.367 DF 2.723 0 Anodyne ref DFAARN CCc1cccc2c1NC(=O)[C@@]2(O)CC(=O)c1cccs1 CCc1cccc2c1NC(=O)[C@]2(O)CC(=O)c1cccs1 ZINC000000471684 56/31/04/425563104 AEIWZHYVLIGWLG-INIZCTEOSA-N 0 301.367 DF 2.723 0 Anodyne ref DFAARN CCc1cccc2c1NC(=O)[C@]2(O)CC(=O)c1cccs1 O=C1NC(=O)/C(=C\c2cccn2-c2cccc(C(F)(F)F)c2)N1 ZINC000000476824 56/41/05/425564105 LQQADHZDCVFYDU-XYOKQWHBSA-N 0 321.258 DF 2.676 1 Anodyne mid DFAAMN O=C1NC(=O)/C(=C\c2cccn2-c2cccc(C(F)(F)F)c2)N1 O=C1NC(=O)/C(=C\c2cccn2-c2cccc(C(F)(F)F)c2)N1 ZINC000000476824 56/40/95/425564095 LQQADHZDCVFYDU-XYOKQWHBSA-N -1 321.258 DF 2.676 0 Anodyne ref DFAARM O=C1[N-]C(=O)/C(=C\c2cccn2-c2cccc(C(F)(F)F)c2)N1 O=C1N/C(=C/c2cccs2)C(=O)N1Cc1ccc(F)cc1 ZINC000000478926 56/52/88/425565288 CBXSUSDOVAZMAR-MDWZMJQESA-N 0 302.33 DF 2.98 0 Anodyne ref DFAARN O=C1N/C(=C/c2cccs2)C(=O)N1Cc1ccc(F)cc1 Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)NC3=O)c2C)cc1C ZINC000000510059 56/63/63/425566363 ROOAJJXSHQWJKB-CXUHLZMHSA-N 0 309.369 DF 2.891 1 Clean mid DFCAMN Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)NC3=O)c2C)cc1C Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)NC3=O)c2C)cc1C ZINC000000510059 56/63/55/425566355 ROOAJJXSHQWJKB-CXUHLZMHSA-N -1 309.369 DF 2.891 0 Clean ref DFCARM Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)[N-]C3=O)c2C)cc1C O=C1NC(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)N1 ZINC000000561108 56/91/48/425569148 KHUSSQGFSPENLY-MHWRWJLKSA-N 0 317.348 DF 2.87 1 Anodyne mid DFAAMN O=C1NC(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)N1 O=C1NC(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)N1 ZINC000000561108 56/91/38/425569138 KHUSSQGFSPENLY-MHWRWJLKSA-N -1 317.348 DF 2.87 0 Anodyne ref DFAARM O=C1[N-]C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)N1 C=CCN1C(=O)N/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O ZINC000000561110 56/97/19/425569719 QRZMXFQHRBJOSI-UXBLZVDNSA-N 0 313.14 DF 2.778 2 Mild low DFEALN C=CCN1C(=O)N/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O C=CCN1C(=O)N/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O ZINC000000561110 56/97/15/425569715 QRZMXFQHRBJOSI-UXBLZVDNSA-N -1 313.14 DF 2.778 0 Mild ref DFEARM C=CCN1C(=O)N/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C1=O N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)NCc1ccco1 ZINC000000563952 01/85/10/264018510 DWMBDOAIXZVAOH-IZZDOVSWSA-N 0 302.717 DF 2.862 1 Reactive mid DFGAMN N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)NCc1ccco1 N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)NCc1ccco1 ZINC000000563952 01/85/07/264018507 DWMBDOAIXZVAOH-IZZDOVSWSA-N -1 302.717 DF 2.862 0 Reactive ref DFGARM N#C/C(=C\c1ccc([O-])c(Cl)c1)C(=O)NCc1ccco1 COc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC ZINC000000564214 00/09/98/264000998 DKVWZXFHKZRLEC-MDWZMJQESA-N 0 312.325 DF 2.52 0 Reactive ref DFGARN COc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC N#C/C(=C\c1cccnc1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000000564224 01/96/23/264019623 LFJWBRRRCFACHI-MHWRWJLKSA-N 0 316.364 DF 2.829 0 Reactive ref DFGARN N#C/C(=C\c1cccnc1)C(=O)NCCc1c[nH]c2ccccc12 N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2O)c(F)c1 ZINC000000564304 02/48/43/264024843 OXWKWNYLZDCULW-UFWORHAWSA-N -1 317.707 DF 2.82 1 Reactive mid DFGAMM N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2[O-])c(F)c1 N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2O)c(F)c1 ZINC000000564304 02/48/41/264024841 OXWKWNYLZDCULW-UFWORHAWSA-N 0 317.707 DF 2.82 0 Reactive ref DFGARN N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2O)c(F)c1 CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)ccc1O ZINC000000573013 56/93/00/425569300 QGEYUAKVZNERFW-GXDHUFHOSA-N 0 324.336 DF 2.888 0 Anodyne ref DFAARN CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)ccc1O O=C1NC(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)N1 ZINC000000573825 57/00/73/425570073 IDVAZHOZROBHNG-OQLLNIDSSA-N 0 312.3 DF 2.585 1 Anodyne mid DFAAMN O=C1NC(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)N1 O=C1NC(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)N1 ZINC000000573825 57/00/61/425570061 IDVAZHOZROBHNG-OQLLNIDSSA-N -1 312.3 DF 2.585 0 Anodyne ref DFAARM O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)N1 O=C(C[C@]1(O)C(=O)Nc2ccc(F)cc21)c1ccc(Cl)cc1 ZINC000000613845 57/11/76/425571176 LORAZYWMEPWIRY-MRXNPFEDSA-N 0 319.719 DF 2.892 0 Anodyne ref DFAARN O=C(C[C@]1(O)C(=O)Nc2ccc(F)cc21)c1ccc(Cl)cc1 O=C(C[C@@]1(O)C(=O)Nc2ccc(F)cc21)c1ccc(Cl)cc1 ZINC000000613846 57/10/33/425571033 LORAZYWMEPWIRY-INIZCTEOSA-N 0 319.719 DF 2.892 0 Anodyne ref DFAARN O=C(C[C@@]1(O)C(=O)Nc2ccc(F)cc21)c1ccc(Cl)cc1 CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)c(Cl)c1 ZINC000000613938 82/88/84/180828884 KXJWJGLGYHQFNH-ZDUSSCGKSA-N 0 324.764 DF 2.54 0 Anodyne ref DFAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)c(Cl)c1 CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000000613940 57/10/83/425571083 KXJWJGLGYHQFNH-CYBMUJFWSA-N 0 324.764 DF 2.54 0 Anodyne ref DFAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(Cl)c1 Cc1c(Cl)ccc2c1NC(=O)[C@@]2(O)CC(=O)c1ccco1 ZINC000000614157 57/12/75/425571275 PGHNYJRTACKMKH-OAHLLOKOSA-N 0 305.717 DF 2.654 0 Anodyne ref DFAARN Cc1c(Cl)ccc2c1NC(=O)[C@@]2(O)CC(=O)c1ccco1 Cc1c(Cl)ccc2c1NC(=O)[C@]2(O)CC(=O)c1ccco1 ZINC000000614158 57/11/12/425571112 PGHNYJRTACKMKH-HNNXBMFYSA-N 0 305.717 DF 2.654 0 Anodyne ref DFAARN Cc1c(Cl)ccc2c1NC(=O)[C@]2(O)CC(=O)c1ccco1