0 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.2 CC(=O)C(C)C(=O)CO 1458a_100000210174_100000179758 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.2 CC(C(=O)N)C(=O)CO 1458a_100000210174_100000702099 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.2 COC(=O)C(=O)N(C)C 11a_100102631434_100000024059 [0,1,0,0,0,0|3,0,0]=4 27 B8R0.2 COC(=O)C(=O)N(C)C 1626a_100102631434_100000024059 [0,1,0,0,0,0|3,0,0]=4 28 B8R0.2 COC(=O)C(=O)N(C)C 240690a_100102631434_100000024059 [0,1,0,0,0,0|3,0,0]=4 29 B8R0.2 COC(=O)C(=O)N(C)C 527a_100102631434_100000024059 [0,1,0,0,0,0|3,0,0]=4 30 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.2 NC(=O)C(F)C(=O)CO 1458a_100000210174_100009813875 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.2 O=C([O-])C(F)C(=O)CO 1458a_100000210174_100020610796 [0,1,0,0,0,0|1,0,2]=4 35 B8R1.50 Cc1onc(c1O)O 271570a_203496583355_100010730664 [0,0,0,1,0,0|2,0,1]=4 36 B8R0.23 C=C(C)C(=O)CC(=O)N 1458a_100000185857_100000187820 [0,0,0,0,0,1|3,0,0]=4 37 B8R0.23 C=C(C)C(=O)CC(=O)[O-] 1458a_100000185857_100020667443 [0,0,0,0,0,1|2,0,1]=4 38 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,0,0,0,0,1|2,0,0]=3 39 B8R0.23 C[C@@H](O)C(=O)CC(=O)N 1458a_100000717761_100000187820 [0,0,0,0,0,1|2,0,1]=4 40 B8R0.23 C[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000717761_100020667443 [0,0,0,0,0,1|1,0,2]=4 41 B8R0.23 C[C@H](O)C(=O)CC(=O)N 1458a_217856618621_100000187820 [0,0,0,0,0,1|2,0,1]=4 42 B8R0.23 C[C@H](O)C(=O)CC(=O)[O-] 1458a_217856618621_100020667443 [0,0,0,0,0,1|1,0,2]=4 43 B8R0.23 NC(=O)CC(=O)C(O)O 1458a_100000233687_100000187820 [0,0,0,0,0,1|1,0,2]=4 44 B8R0.23 O=C([O-])CC(=O)C(O)O 1458a_100000233687_100020667443 [0,0,0,0,0,1|0,0,3]=4 45 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,1,0,0,0,0|1,0,1]=4 57 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,1,0,0,0,0|1,0,1]=4 58 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [1,1,0,0,0,0|0,0,2]=4 60 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [1,1,0,0,0,0|2,0,0]=4 64 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [1,1,0,0,0,0|2,0,0]=4 65 B9R0.23 CNC(=O)C(=O)CC(=O)N 1458a_100011218921_100000187820 [0,1,0,0,0,1|2,0,0]=4 66 B9R0.23 CNC(=O)C(=O)CC(=O)[O-] 1458a_100011218921_100020667443 [0,1,0,0,0,1|1,0,1]=4 67 B9R0.42 C#CC(=O)CC(=O)C(=O)C 1458a_100000211873_100011261029 [0,1,0,0,0,1|2,0,0]=4 68 B9R0.42 C=C(C)C(=O)CC(=O)OC 1458a_100000185857_100000747449 [0,1,0,0,0,1|2,0,0]=4 69 B9R0.42 C=CC(=O)CC(=O)C(=O)C 1458a_100000185746_100011261029 [0,1,0,0,0,1|2,0,0]=4 70 B9R0.42 CC(=O)C(=O)CC(=O)CO 1458a_100000210174_100011261029 [0,1,0,0,0,1|1,0,0]=3 71 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [0,1,0,0,0,1|2,0,0]=4 72 B9R0.42 COC(=O)CC(=O)C(O)O 1458a_100000233687_100000747449 [0,1,0,0,0,1|0,0,2]=4 73 B9R0.42 COC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747449 [0,1,0,0,0,1|1,0,1]=4 74 B9R0.42 COC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747449 [0,1,0,0,0,1|1,0,1]=4 75 B9R0.27 COC(=O)C(=O)C(C)OC 34a_100138415774_100000692041 [0,2,0,0,0,0|1,0,1]=4 76 B9R0.27 COC(=O)C(C)C(=O)CO 1458a_100000210174_100000211248 [0,2,0,0,0,0|1,0,1]=4 77 B9R1.69 O=c1[nH]c(ncc1O)O 271570a_203496583355_100011215686 [0,0,0,1,0,1|2,0,0]=4 78 B9R1.69 O=c1[nH]nc(c(=O)[nH]1)O 271570a_203496583355_100000181694 [0,0,0,1,0,1|2,0,0]=4 79 B9R0.7 CC(=O)NNC(=O)C(=O)N 22a_100000189765_100011215815 [0,0,0,0,0,2|2,0,0]=4 80 B9R0.7 CC(=O)NNC(=O)C(=O)N 22a_100000211141_100000070787 [0,0,0,0,0,2|2,0,0]=4 81 B9R0.7 NC(=O)CNC(=O)C(=O)N 240690a_100000711301_100011215815 [0,0,0,0,0,2|2,0,0]=4 82 B9R0.53 CC(=O)CC(=O)NC(=O)C 1458a_100000070787_100000183797 [0,0,0,0,0,2|2,0,0]=4 83 B9R0.53 CC(=O)CC(=O)NC(=O)N 1458a_100000070787_100000182717 [0,0,0,0,0,2|2,0,0]=4 84 B9R0.53 NC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000187820 [0,0,0,0,0,2|2,0,0]=4 85 B9R0.53 NC(=O)CC(=O)CC(=O)[O-] 1458a_100134613110_100020667443 [0,0,0,0,0,2|1,0,1]=4