0 B20R2.1291 C#CCC(=O)Nc1ccc(c(c1)OC)c2cnco2 1626a_100000080849_100011220946 [1,0,0,0,0,0|0,0,2]=3 1 B20R2.1291 C#CCC(=O)Nc1ccc(c(c1)OC)c2cnco2 527a_100000080849_100011220946 [1,0,0,0,0,0|0,0,2]=3 2 B20R2.1291 C=CCC(=O)Nc1ccc(c(c1)OC)c2cnco2 11a_100000080849_100000210193 [1,0,0,0,0,0|0,0,2]=3 3 B20R2.1291 C=CCC(=O)Nc1ccc(c(c1)OC)c2cnco2 1626a_100000080849_100000210193 [1,0,0,0,0,0|0,0,2]=3 4 B20R2.1291 C=CCC(=O)Nc1ccc(c(c1)OC)c2cnco2 22a_100000080849_100000210193 [1,0,0,0,0,0|0,0,2]=3 5 B20R2.1291 C=CCC(=O)Nc1ccc(c(c1)OC)c2cnco2 527a_100000080849_100000210193 [1,0,0,0,0,0|0,0,2]=3 6 B20R2.1291 CC#CC(=O)Nc1ccc(c(c1)OC)c2cnco2 22a_100000080849_100000763181 [1,0,0,0,0,0|0,0,2]=3 7 B20R2.1291 CC=CC(=O)Nc1ccc(c(c1)OC)c2cnco2 11a_100000080849_100000210699 [1,0,0,0,0,0|0,0,2]=3 8 B20R2.1291 CC=CC(=O)Nc1ccc(c(c1)OC)c2cnco2 1626a_100000080849_100000210699 [1,0,0,0,0,0|0,0,2]=3 9 B20R2.1291 CC=CC(=O)Nc1ccc(c(c1)OC)c2cnco2 22a_100000080849_100000210699 [1,0,0,0,0,0|0,0,2]=3 10 B20R2.1291 CCCC(=O)Nc1ccc(c(c1)OC)c2cnco2 11a_100000080849_100000211992 [1,0,0,0,0,0|0,0,0]=1 11 B20R2.1291 CCCC(=O)Nc1ccc(c(c1)OC)c2cnco2 1626a_100000080849_100000211992 [1,0,0,0,0,0|0,0,0]=1 12 B20R2.1291 CCCC(=O)Nc1ccc(c(c1)OC)c2cnco2 22a_100000080849_100000211992 [1,0,0,0,0,0|0,0,0]=1 13 B20R2.1291 CCCC(=O)Nc1ccc(c(c1)OC)c2cnco2 527a_100000080849_100000211992 [1,0,0,0,0,0|0,0,0]=1 14 B20R2.1291 CCCC(=O)Nc1ccc(c(c1)OC)n2cccc2 11a_100000723837_100000211992 [1,0,0,0,0,0|3,0,0]=4 15 B20R2.1291 CCCC(=O)Nc1ccc(c(c1)OC)n2cccc2 1626a_100000723837_100000211992 [1,0,0,0,0,0|3,0,0]=4 16 B20R2.1291 CCCC(=O)Nc1ccc(c(c1)OC)n2cccc2 22a_100000723837_100000211992 [1,0,0,0,0,0|3,0,0]=4 17 B20R2.1291 CCCC(=O)Nc1ccc(c(c1)OC)n2cccc2 527a_100000723837_100000211992 [1,0,0,0,0,0|3,0,0]=4 18 B20R2.1291 CCCC(C)Nc1ccc(c(c1)OC)c2cnco2 34a_100000080849_100000766640 [1,0,0,0,0,0|1,0,1]=3 19 B20R2.1291 CCNC(=O)Nc1ccc(c(c1)OC)c2cnco2 2430a_100000080849_100015525214 [1,0,0,0,0,0|1,0,0]=2 20 B20R2.1291 COCC(=O)Nc1ccc(c(c1)OC)c2cnco2 11a_100000080849_100000210968 [1,0,0,0,0,0|1,0,0]=2 21 B20R2.1291 COCC(=O)Nc1ccc(c(c1)OC)c2cnco2 1626a_100000080849_100000210968 [1,0,0,0,0,0|1,0,0]=2 22 B20R2.1291 COCC(=O)Nc1ccc(c(c1)OC)c2cnco2 22a_100000080849_100000210968 [1,0,0,0,0,0|1,0,0]=2 23 B20R2.1291 COCC(=O)Nc1ccc(c(c1)OC)c2cnco2 527a_100000080849_100000210968 [1,0,0,0,0,0|1,0,0]=2 24 B20R2.1291 COCC(C)Nc1ccc(c(c1)OC)c2cnco2 34a_100000080849_100000765312 [1,0,0,0,0,0|2,0,1]=4 25 B20R2.1291 COc1cc(ccc1c2cnco2)NC(=O)C=CBr 1626a_100000080849_100016273825 [1,0,0,0,0,0|1,0,2]=4 26 B20R2.1291 COc1cc(ccc1c2cnco2)NC(=O)C=CCl 11a_100000080849_200016279998 [1,0,0,0,0,0|1,0,2]=4 27 B20R2.1291 COc1cc(ccc1c2cnco2)NC(=O)C=CCl 1626a_100000080849_200016279998 [1,0,0,0,0,0|1,0,2]=4 28 B20R2.1291 COc1cc(ccc1c2cnco2)NC(=O)C=CI 1626a_100000080849_100016256311 [1,0,0,0,0,0|1,0,2]=4 29 B20R2.1291 COc1cc(ccc1c2cnco2)NC(=O)CC#N 1626a_100000080849_100051588842 [1,0,0,0,0,0|1,0,1]=3 30 B20R2.1291 COc1cc(ccc1c2cnco2)NC(=O)CC#N 22a_100000080849_100051588842 [1,0,0,0,0,0|1,0,1]=3 31 B20R2.1291 COc1cc(ccc1c2cnco2)NC(=O)CCO 22a_100000080849_100011216618 [1,0,0,0,0,0|1,0,0]=2 32 B20R2.1291 COc1cc(ccc1c2cnco2)NC(=O)CSC 11a_100000080849_100000184570 [1,0,0,0,0,0|1,0,0]=2 33 B20R2.1291 COc1cc(ccc1c2cnco2)NC(=O)CSC 1626a_100000080849_100000184570 [1,0,0,0,0,0|1,0,0]=2 34 B20R2.1291 COc1cc(ccc1c2cnco2)NC(=O)CSC 22a_100000080849_100000184570 [1,0,0,0,0,0|1,0,0]=2 35 B20R2.1291 COc1cc(ccc1c2cnco2)NC(=O)CSC 527a_100000080849_100000184570 [1,0,0,0,0,0|1,0,0]=2 36 B20R2.1291 COc1cc(ccc1c2cnco2)NC(C)CCO 34a_100000080849_100009893172 [1,0,0,0,0,0|2,0,1]=4 37 B20R2.30601 C=C(Br)C(=O)Nc1ccc(c(c1)OC)c2cnco2 11a_100000080849_100009813364 [1,0,0,0,0,0|1,0,2]=4 38 B20R2.30601 C=C(Br)C(=O)Nc1ccc(c(c1)OC)c2cnco2 1626a_100000080849_100009813364 [1,0,0,0,0,0|1,0,2]=4 39 B20R2.30601 C=C(C)C(=O)Nc1ccc(c(c1)OC)c2cnco2 11a_100000080849_100000185857 [1,0,0,0,0,0|1,0,1]=3 40 B20R2.30601 C=C(C)C(=O)Nc1ccc(c(c1)OC)c2cnco2 1626a_100000080849_100000185857 [1,0,0,0,0,0|1,0,1]=3 41 B20R2.30601 C=C(C)C(=O)Nc1ccc(c(c1)OC)c2cnco2 22a_100000080849_100000185857 [1,0,0,0,0,0|1,0,1]=3 42 B20R2.30601 C=C(Cl)C(=O)Nc1ccc(c(c1)OC)c2cnco2 11a_100000080849_100000039160 [1,0,0,0,0,0|1,0,2]=4 43 B20R2.30601 C=C(Cl)C(=O)Nc1ccc(c(c1)OC)c2cnco2 1626a_100000080849_100000039160 [1,0,0,0,0,0|1,0,2]=4 44 B20R2.30601 C=C(Cl)C(=O)Nc1ccc(c(c1)OC)c2cnco2 22a_100000080849_100000039160 [1,0,0,0,0,0|1,0,2]=4 45 B20R2.30601 C=C(F)C(=O)Nc1ccc(c(c1)OC)c2cnco2 11a_100000080849_100000036797 [1,0,0,0,0,0|1,0,2]=4 46 B20R2.30601 C=C(F)C(=O)Nc1ccc(c(c1)OC)c2cnco2 1626a_100000080849_100000036797 [1,0,0,0,0,0|1,0,2]=4 47 B20R2.30601 C=C(F)C(=O)Nc1ccc(c(c1)OC)c2cnco2 22a_100000080849_100000036797 [1,0,0,0,0,0|1,0,2]=4 48 B20R2.30601 COc1cc(ccc1c2cnco2)NC(=O)C(=O)N 22a_100000080849_100011215815 [1,0,0,0,0,0|1,0,1]=3 49 B20R2.30601 COc1cc(ccc1c2cnco2)NC(=O)C(C)C 11a_100000080849_100000210198 [1,0,0,0,0,0|1,0,0]=2 50 B20R2.30601 COc1cc(ccc1c2cnco2)NC(=O)C(C)C 1626a_100000080849_100000210198 [1,0,0,0,0,0|1,0,0]=2 51 B20R2.30601 COc1cc(ccc1c2cnco2)NC(=O)C(C)C 22a_100000080849_100000210198 [1,0,0,0,0,0|1,0,0]=2 52 B20R2.30601 COc1cc(ccc1c2cnco2)NC(=O)C(C)C 527a_100000080849_100000210198 [1,0,0,0,0,0|1,0,0]=2 53 B20R2.30601 COc1cc(ccc1c2cnco2)NC(=O)C(C)F 11a_100000080849_100000062450 [1,0,0,0,0,0|1,0,0]=2 54 B20R2.30601 COc1cc(ccc1c2cnco2)NC(=O)C(C)F 1626a_100000080849_100000062450 [1,0,0,0,0,0|1,0,0]=2 55 B20R2.30601 COc1cc(ccc1c2cnco2)NC(=O)C(C)F 22a_100000080849_100000062450 [1,0,0,0,0,0|1,0,0]=2 56 B20R2.30601 COc1cc(ccc1c2cnco2)NC(=O)C(C)F 527a_100000080849_100000062450 [1,0,0,0,0,0|1,0,0]=2 57 B20R2.30601 COc1cc(ccc1c2cnco2)NC(=O)C(F)F 11a_100000080849_100000210393 [1,0,0,0,0,0|2,0,0]=3 58 B20R2.30601 COc1cc(ccc1c2cnco2)NC(=O)C(F)F 1626a_100000080849_100000210393 [1,0,0,0,0,0|2,0,0]=3 59 B20R2.30601 COc1cc(ccc1c2cnco2)NC(=O)C(F)F 22a_100000080849_100000210393 [1,0,0,0,0,0|2,0,0]=3 60 B20R2.30601 COc1cc(ccc1c2cnco2)NC(=O)C(F)F 527a_100000080849_100000210393 [1,0,0,0,0,0|2,0,0]=3 61 B20R2.30601 COc1cc(ccc1c2cnco2)NC(=O)C(O)O 22a_100000080849_100000233687 [1,0,0,0,0,0|2,0,0]=3 62 B20R2.30601 COc1cc(ccc1c2cnco2)NC(=O)N(C)C 2430a_100000080849_100102631434 [1,0,0,0,0,0|2,0,0]=3 63 B20R2.30601 COc1cc(ccc1c2cnco2)NC(=O)[C@@H](C)O 22a_100000080849_100000717761 [1,0,0,0,0,0|1,0,0]=2 64 B20R2.30601 COc1cc(ccc1c2cnco2)NC(=O)[C@H](C)O 1626a_100000080849_217856618621 [1,0,0,0,0,0|1,0,0]=2 65 B20R2.30601 COc1cc(ccc1c2cnco2)NC(=O)[C@H](C)O 22a_100000080849_217856618621 [1,0,0,0,0,0|1,0,0]=2 66 B20R2.30602 CCC(C)CNc1ccc(c(c1)OC)c2cnco2 34a_100000080849_100000748023 [1,0,0,0,0,0|1,0,1]=3 67 B20R2.30602 CCC(O)CNc1ccc(c(c1)OC)c2cnco2 34a_100000080849_100011218378 [1,0,0,0,0,0|1,0,1]=3 68 B20R2.30602 CC[C@H](C)CNc1ccc(c(c1)OC)c2cnco2 34a_100000080849_100009816398 [1,0,0,0,0,0|1,0,1]=3 69 B20R2.30602 COc1cc(ccc1c2cnco2)NCC(O)CO 34a_100000080849_100011219619 [1,0,0,0,0,0|2,0,1]=4 70 B20R2.30602 COc1cc(ccc1c2cnco2)NC[C@@H](C)CO 34a_100000080849_100000059175 [1,0,0,0,0,0|2,0,1]=4 71 B20R2.30602 COc1cc(ccc1c2cnco2)NC[C@@H](O)CF 34a_100000080849_100015614560 [1,0,0,0,0,0|2,0,1]=4 72 B20R2.30602 COc1cc(ccc1c2cnco2)NC[C@@H](O)CO 34a_100000080849_100009815848 [1,0,0,0,0,0|2,0,1]=4 73 B19R2.1372 CCCCNc1ccc(c(c1)OC)c2cnco2 34a_100000080849_100000210210 [2,0,0,0,0,0|0,0,1]=3 74 B19R2.1372 COCCNc1ccc(c(c1)OC)c2cnco2 34a_100000080849_100011201679 [2,0,0,0,0,0|1,0,1]=4 75 B19R2.1372 COc1cc(ccc1c2cnco2)NCCCF 34a_100000080849_100011934791 [2,0,0,0,0,0|1,0,1]=4 76 B19R2.1372 COc1cc(ccc1c2cnco2)NCCCO 34a_100000080849_100000230001 [2,0,0,0,0,0|1,0,1]=4 77 B19R2.1372 COc1cc(ccc1c2cnco2)NCCSC 34a_100000080849_100000212216 [2,0,0,0,0,0|1,0,1]=4 78 B19R2.21829 C=CC(=O)Nc1ccc(c(c1)OC)c2cnco2 1626a_100000080849_100000185746 [2,0,0,0,0,0|0,0,2]=4 79 B19R2.21829 C=CC(=O)Nc1ccc(c(c1)OC)c2cnco2 22a_100000080849_100000185746 [2,0,0,0,0,0|0,0,2]=4 80 B19R2.21829 CCC(=O)Nc1ccc(c(c1)OC)c2cnco2 11a_100000080849_100000210414 [2,0,0,0,0,0|0,0,0]=2 81 B19R2.21829 CCC(=O)Nc1ccc(c(c1)OC)c2cnco2 1626a_100000080849_100000210414 [2,0,0,0,0,0|0,0,0]=2 82 B19R2.21829 CCC(=O)Nc1ccc(c(c1)OC)c2cnco2 22a_100000080849_100000210414 [2,0,0,0,0,0|0,0,0]=2 83 B19R2.21829 CCC(=O)Nc1ccc(c(c1)OC)c2cnco2 527a_100000080849_100000210414 [2,0,0,0,0,0|0,0,0]=2 84 B19R2.21829 CCC(C)Nc1ccc(c(c1)OC)c2cnco2 34a_100000080849_100011215416 [2,0,0,0,0,0|1,0,1]=4 85 B19R2.21829 CNC(=O)Nc1ccc(c(c1)OC)c2cnco2 2430a_100000080849_100102657272 [2,0,0,0,0,0|1,0,0]=3 86 B19R2.21829 COc1cc(ccc1c2cnco2)NC(=O)CO 22a_100000080849_100000210174 [2,0,0,0,0,0|1,0,0]=3 87 B19R2.21829 COc1cc(ccc1c2cnco2)NC(=O)CO 527a_100000080849_100000210174 [2,0,0,0,0,0|1,0,0]=3 88 B19R2.2824 COc1cc(ccc1c2cnco2)NCC(C)C 34a_100000080849_100000210624 [2,0,0,0,0,0|1,0,1]=4 89 B19R2.2824 COc1cc(ccc1c2cnco2)NCC(C)O 34a_100000080849_100011218427 [2,0,0,0,0,0|1,0,1]=4 90 B19R2.2824 COc1cc(ccc1c2cnco2)NC[C@@H](C)O 34a_100000080849_100009817552 [2,0,0,0,0,0|1,0,1]=4 91 B19R2.4212 CCC(C)C(=O)Nc1ccc(cc1)c2ccco2 11a_100011217094_100011192722 [2,0,0,0,0,0|2,0,0]=4 92 B19R2.4212 CCC(C)C(=O)Nc1ccc(cc1)c2ccco2 1626a_100011217094_100011192722 [2,0,0,0,0,0|2,0,0]=4 93 B19R2.4212 CCC(C)C(=O)Nc1ccc(cc1)c2ccco2 22a_100011217094_100011192722 [2,0,0,0,0,0|2,0,0]=4 94 B19R2.4212 CCC(C)C(=O)Nc1ccc(cc1)c2ccco2 527a_100011217094_100011192722 [2,0,0,0,0,0|2,0,0]=4 95 B19R2.4212 CCC(C)C(=O)Nc1ccc(cc1)c2cnco2 11a_100000041625_100011192722 [2,0,0,0,0,0|1,0,0]=3 96 B19R2.4212 CCC(C)C(=O)Nc1ccc(cc1)c2cnco2 1626a_100000041625_100011192722 [2,0,0,0,0,0|1,0,0]=3 97 B19R2.4212 CCC(C)C(=O)Nc1ccc(cc1)c2cnco2 22a_100000041625_100011192722 [2,0,0,0,0,0|1,0,0]=3 98 B19R2.4212 CCC(C)C(=O)Nc1ccc(cc1)c2cnco2 527a_100000041625_100011192722 [2,0,0,0,0,0|1,0,0]=3 99 B19R2.4212 CCC(C)C(=O)Nc1ccc(cc1)c2cncs2 11a_100000123287_100011192722 [2,0,0,0,0,0|1,1,0]=4 100 B19R2.4212 CCC(C)C(=O)Nc1ccc(cc1)c2cncs2 1626a_100000123287_100011192722 [2,0,0,0,0,0|1,1,0]=4 101 B19R2.4212 CCC(C)C(=O)Nc1ccc(cc1)c2cncs2 22a_100000123287_100011192722 [2,0,0,0,0,0|1,1,0]=4 102 B19R2.4212 CCC(C)C(=O)Nc1ccc(cc1)c2cncs2 527a_100000123287_100011192722 [2,0,0,0,0,0|1,1,0]=4 103 B19R2.4212 CCC(C)C(=O)Nc1ccc(cc1)c2nnco2 1626a_100000246548_100011192722 [2,0,0,0,0,0|2,0,0]=4 104 B19R2.4212 CCC(C)C(=O)Nc1ccc(cc1)c2nnco2 22a_100000246548_100011192722 [2,0,0,0,0,0|2,0,0]=4 105 B19R2.4212 CCC(C)C(=O)Nc1ccc(cc1)c2nnco2 527a_100000246548_100011192722 [2,0,0,0,0,0|2,0,0]=4 106 B19R2.4212 CCC(O)C(=O)Nc1ccc(cc1)c2ccco2 22a_100011217094_100011196387 [2,0,0,0,0,0|2,0,0]=4 107 B19R2.4212 CCC(O)C(=O)Nc1ccc(cc1)c2cnco2 22a_100000041625_100011196387 [2,0,0,0,0,0|1,0,0]=3 108 B19R2.4212 CCC(O)C(=O)Nc1ccc(cc1)c2cncs2 22a_100000123287_100011196387 [2,0,0,0,0,0|1,1,0]=4 109 B19R2.4212 CCC(O)C(=O)Nc1ccc(cc1)c2nnco2 22a_100000246548_100011196387 [2,0,0,0,0,0|2,0,0]=4 110 B19R2.4212 CCN(C)C(=O)Nc1ccc(cc1)c2cnco2 2430a_100000041625_100000225621 [2,0,0,0,0,0|2,0,0]=4 111 B19R2.4212 COC(C)C(=O)Nc1ccc(cc1)c2cnco2 11a_100000041625_100000743197 [2,0,0,0,0,0|2,0,0]=4 112 B19R2.4212 COC(C)C(=O)Nc1ccc(cc1)c2cnco2 1626a_100000041625_100000743197 [2,0,0,0,0,0|2,0,0]=4 113 B19R2.4212 COC(C)C(=O)Nc1ccc(cc1)c2cnco2 22a_100000041625_100000743197 [2,0,0,0,0,0|2,0,0]=4 114 B19R2.4212 COC(C)C(=O)Nc1ccc(cc1)c2cnco2 527a_100000041625_100000743197 [2,0,0,0,0,0|2,0,0]=4 115 B19R2.4212 CSC(C)C(=O)Nc1ccc(cc1)c2cnco2 11a_100000041625_100000149566 [2,0,0,0,0,0|2,0,0]=4 116 B19R2.4212 CSC(C)C(=O)Nc1ccc(cc1)c2cnco2 1626a_100000041625_100000149566 [2,0,0,0,0,0|2,0,0]=4 117 B19R2.4212 CSC(C)C(=O)Nc1ccc(cc1)c2cnco2 22a_100000041625_100000149566 [2,0,0,0,0,0|2,0,0]=4 118 B19R2.4212 CSC(C)C(=O)Nc1ccc(cc1)c2cnco2 527a_100000041625_100000149566 [2,0,0,0,0,0|2,0,0]=4 119 B19R2.4212 O=C(Nc1ccc(cc1)c2cnco2)C(O)CO 22a_100000041625_100011215603 [2,0,0,0,0,0|2,0,0]=4 120 B21R2.42014 [2H]C([2H])([2H])C(=O)Nc1ccc(c(c1)OC)c2cnco2 11a_100000080849_200015216371 [1,1,0,0,0,0|2,0,0]=4 121 B21R2.42014 [2H]C([2H])([2H])C(=O)Nc1ccc(c(c1)OC)c2cnco2 1626a_100000080849_200015216371 [1,1,0,0,0,0|2,0,0]=4 122 B21R2.42014 [2H]C([2H])([2H])C(=O)Nc1ccc(c(c1)OC)c2cnco2 527a_100000080849_200015216371 [1,1,0,0,0,0|2,0,0]=4 123 B21R3.3513 COc1cc(ccc1c2cnco2)NC3CCCC3 34a_100000080849_100000179811 [1,0,0,1,0,0|1,0,1]=4 124 B21R3.57270 COc1cc(ccc1c2cnco2)NC(=O)C3CC3 11a_100000080849_100000210395 [1,0,0,1,0,0|0,0,0]=2 125 B21R3.57270 COc1cc(ccc1c2cnco2)NC(=O)C3CC3 1626a_100000080849_100000210395 [1,0,0,1,0,0|0,0,0]=2 126 B21R3.57270 COc1cc(ccc1c2cnco2)NC(=O)C3CC3 22a_100000080849_100000210395 [1,0,0,1,0,0|0,0,0]=2 127 B21R3.57270 COc1cc(ccc1c2cnco2)NC(=O)C3CC3 527a_100000080849_100000210395 [1,0,0,1,0,0|0,0,0]=2 128 B21R3.57270 COc1cc(ccc1c2cnco2)NC(=O)C3CO3 11a_100000080849_100000701028 [1,0,0,1,0,0|1,0,0]=3 129 B21R3.57270 COc1cc(ccc1c2cnco2)NC(=O)C3CO3 1626a_100000080849_100000701028 [1,0,0,1,0,0|1,0,0]=3 130 B21R3.57270 COc1cc(ccc1c2cnco2)NC(=O)C3CO3 22a_100000080849_100000701028 [1,0,0,1,0,0|1,0,0]=3 131 B21R3.57270 COc1cc(ccc1c2cnco2)NC(=O)C3CO3 527a_100000080849_100000701028 [1,0,0,1,0,0|1,0,0]=3 132 B21R3.57274 COc1cc(ccc1c2cnco2)NCC3CCC3 34a_100000080849_100000763275 [1,0,0,1,0,0|1,0,1]=4 133 B21R3.57274 COc1cc(ccc1c2cnco2)NCC3CCO3 34a_100000080849_100000103362 [1,0,0,1,0,0|1,0,1]=4 134 B19R2.10798 CCOC(=O)c1ccc(c(c1)OC)c2ccco2 271570a_100000750936_100010189661 [1,0,0,0,1,0|2,0,0]=4 135 B19R2.10798 CCOC(=O)c1ccc(c(c1)OC)c2cncs2 271570a_100010231675_100010189661 [1,0,0,0,1,0|1,1,0]=4