0 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,0,0,0,0,0|1,1,0]=2 10 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,0,0,0,0,0|1,1,0]=2 11 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,0,0,0,0,0|2,1,0]=3 12 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,0,0,0,0,0|2,1,1]=4 15 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,0,0,0,0,0|2,1,1]=4 18 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,0,0,0,0,0|3,1,0]=4 19 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,0,0,0,0,0|2,0,1]=3 24 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,0,0,0,0,0|3,1,0]=4 26 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,0,0,0,0,0|3,1,0]=4 27 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,0,0,0,0,0|3,1,0]=4 28 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,0,0,0,0,0|4,0,0]=4 29 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,0,0,0,0,0|3,1,0]=4 30 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,0,0,0,0,0|2,1,1]=4 31 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,0,0,0,0,0|4,0,0]=4 32 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,0,0,0,0,0|1,1,0]=2 34 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,0,0,0,0,0|1,0,2]=4 46 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,0,0,0,0,0|1,0,2]=4 47 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,0,0,0,0|1,1,1]=4 49 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,0,0,0,0|1,1,1]=4 50 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|1,0,1]=3 57 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|1,0,1]=3 58 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|1,0,1]=3 59 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,0,0,0,0|2,1,0]=4 60 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,0,0,0,0|2,1,0]=4 61 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,0,0,0,0|2,1,0]=4 62 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,0,0,0,0|2,1,0]=4 63 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,0,0,0,0|2,1,0]=4 67 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|3,0,0]=4 69 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,0,0,0,0|2,1,0]=4 70 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,0,0,0,0|2,1,0]=4 71 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|3,0,0]=4 72 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,0,0,0,0|2,0,0]=3 75 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,0,0,0,0,0|1,0,2]=4 76 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,0,0,0,0|1,1,1]=4 77 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,0,0,0,0|2,1,0]=4 78 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,0,0,0,0|2,1,0]=4 79 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,0,0,0,0|2,1,0]=4 80 B7R0.2 C#CC(=O)CC(=O)N 1458a_100000211873_100000187820 [0,1,0,0,0,0|1,1,1]=4 81 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.2 C=C(C#N)CC(=O)C 1458a_100000070787_100000694840 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,1,0,0,0,0|3,0,0]=4 87 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,1,0,0,0,0|3,0,0]=4 88 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [0,1,0,0,0,0|3,0,0]=4 90 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [0,1,0,0,0,0|1,1,1]=4 91 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [0,1,0,0,0,0|3,0,0]=4 92 B7R0.2 CC(=CC(=O)CF)Cl 1458a_200042562850_100015361967 [0,1,0,0,0,0|3,0,0]=4 93 B7R0.2 CC(=CC(=O)CF)I 1458a_100025716642_100015361967 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [0,1,0,0,0,0|1,0,2]=4 95 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [0,1,0,0,0,0|1,0,2]=4 96 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [0,1,0,0,0,0|1,0,2]=4 97 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,1,0,0,0,0|2,0,1]=4 100 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,1,0,0,0,0|1,1,1]=4 102 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,1,0,0,0,0|1,1,1]=4 103 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,1,0,0,0,0|3,0,0]=4 106 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,1,0,0,0,0|3,0,0]=4 107 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,1,0,0,0,0|3,0,0]=4 108 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,1,0,0,0,0|3,0,0]=4 109 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [0,1,0,0,0,0|3,0,0]=4 111 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,1,0,0,0,0|2,1,0]=4 112 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,1,0,0,0,0|1,1,0]=3 113 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,1,0,0,0,0|1,1,0]=3 114 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,1,0,0,0,0|2,1,0]=4 115 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,1,0,0,0,0|2,0,1]=4 117 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,1,0,0,0,0|2,0,1]=4 122 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,1,0,0,0,0|2,0,1]=4 123 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,1,0,0,0,0|2,1,0]=4 124 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,1,0,0,0,0|2,1,0]=4 125 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,1,0,0,0,0|2,1,0]=4 126 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [0,1,0,0,0,0|2,1,0]=4 127 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [0,1,0,0,0,0|2,1,0]=4 128 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [0,1,0,0,0,0|2,1,0]=4 129 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [0,1,0,0,0,0|2,1,0]=4 130 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [0,1,0,0,0,0|2,1,0]=4 131 B7R0.2 CNC(=O)C=C(Cl)Cl 1626a_100102657272_100000137448 [0,1,0,0,0,0|3,0,0]=4 132 B7R0.2 CNC(=O)C=C(Cl)Cl 240690a_100102657272_100000137448 [0,1,0,0,0,0|3,0,0]=4 133 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,1,0,0,0,0|1,1,0]=3 134 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,1,0,0,0,0|1,1,0]=3 135 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,1,0,0,0,0|1,1,0]=3 136 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,1,0,0,0,0|1,1,1]=4 137 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,1,0,0,0,0|1,1,1]=4 138 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,1,0,0,0,0|1,1,1]=4 139 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,1,0,0,0,0|1,1,1]=4 140 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,1,0,0,0,0|1,1,1]=4 141 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,1,0,0,0,0|2,1,0]=4 142 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,1,0,0,0,0|2,1,0]=4 143 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,1,0,0,0,0|2,1,0]=4 144 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,1,0,0,0,0|1,1,0]=3 145 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,1,0,0,0,0|1,1,0]=3 146 B7R0.2 O=C(C=C(Cl)Cl)CF 1458a_100000137448_100015361967 [0,1,0,0,0,0|3,0,0]=4 147 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,1,0,0,0,0|2,1,0]=4 148 B7R0.9 CC(=O)CS(=O)(=O)N 1458a_100000070787_100000741382 [0,1,0,0,0,0|2,1,0]=4 149 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,1,0,0,0,0|2,0,1]=4 150 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,1,0,0,0,0|2,0,1]=4 151 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,1,0,0,0,0|2,0,1]=4 152 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,1,0,0,0,0|2,0,1]=4 153 B7R0.9 CC(=O)NS(=O)(=O)C 2740a_100000171171_100015343762 [0,1,0,0,0,0|2,1,0]=4 154 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,1,0,0,0,0|2,1,0]=4 155 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,1,0,0,0,0|1,1,0]=3 156 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,1,0,0,0,0|1,1,0]=3 157 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,1,0,0,0,0|2,1,0]=4 158 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,1,0,0,0,0|2,0,1]=4 159 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,1,0,0,0,0|2,0,1]=4 160 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,1,0,0,0,0|2,0,1]=4 162 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [0,0,0,1,0,0|1,1,1]=4 163 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [0,0,0,1,0,0|2,0,1]=4 164 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [0,0,0,1,0,0|2,0,1]=4 165 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [0,0,0,1,0,0|2,0,1]=4 166 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,0,0,0,1,0|2,0,0]=3 167 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,0,0,0,1,0|2,0,0]=3 168 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,0,0,0,1,0|2,0,1]=4 169 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,0,0,0,1,0|2,0,1]=4 170 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,0,0,0,1,0|2,0,1]=4 171 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,0,0,0,1,0|1,1,1]=4 172 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,0,0,0,1,0|3,0,0]=4 173 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,0,0,0,1,0|3,0,0]=4 174 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,0,0,0,1,0|3,0,0]=4 175 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,0,0,0,1,0|3,0,0]=4 176 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,0,0,0,1,0|1,1,1]=4 177 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,0,0,0,1,0|1,1,1]=4 178 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,0,0,0,1,0|2,0,1]=4 179 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,0,0,0,1,0|2,0,1]=4 180 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,0,0,0,1,0|1,1,1]=4 181 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,0,0,0,1,0|1,1,1]=4 182 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,0,0,0,1,0|1,1,1]=4 183 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,0,0,0,0,1|3,0,0]=4 184 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,0,0,0,0,1|3,0,0]=4 185 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,0,0,0,0,1|3,0,0]=4 186 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,0,0,0,0,1|2,0,0]=3 187 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,0,0,0,0,1|2,0,0]=3 188 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,0,0,0,0,1|2,0,0]=3 189 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,0,0,0,0,1|2,0,0]=3 190 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,0,0,0,0,1|3,0,0]=4 191 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,0,0,0,0,1|3,0,0]=4 192 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,0,0,0,0,1|3,0,0]=4 193 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,0,0,0,0,1|1,1,0]=3 194 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,0,0,0,0,1|1,1,0]=3 195 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,0,0,0,0,1|0,1,0]=2 196 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,0,0,0,0,1|2,1,0]=4 197 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,0,0,0,0,1|2,1,0]=4 198 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,0,0,0,0,1|0,1,0]=2 199 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,0,0,0,0,1|0,1,0]=2 200 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,0,0,0,0,1|0,1,0]=2 201 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,0,0,0,0,1|1,1,0]=3 202 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,0,0,0,0,1|2,0,1]=4 203 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,0,0,0,0,1|2,0,1]=4 204 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,0,0,0,0,1|2,0,1]=4 205 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,0,0,0,0,1|2,0,1]=4 206 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,0,0,0,0,1|1,1,1]=4 207 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,0,0,0,0,1|1,1,1]=4 208 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,0,0,0,0,1|1,1,1]=4 209 B7R0.6 CC(=O)NCC(F)F 11a_100000765723_100015343762 [0,0,0,0,0,1|2,0,1]=4 210 B7R0.6 CC(=O)NCC(F)F 1626a_100000765723_100015343762 [0,0,0,0,0,1|2,0,1]=4 211 B7R0.6 CC(=O)NCC(F)F 240690a_100000765723_100015343762 [0,0,0,0,0,1|2,0,1]=4 212 B7R0.6 CC(=O)NCC(F)F 527a_100000765723_100103153847 [0,0,0,0,0,1|2,0,1]=4 213 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [0,0,0,0,0,1|1,1,0]=3 214 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,0,0,0,0,1|2,0,1]=4 215 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,0,0,0,0,1|2,1,0]=4 216 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,0,0,0,0,1|2,1,0]=4 217 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,0,0,0,0,1|1,1,1]=4 218 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,0,0,0,0,1|1,1,1]=4 219 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,0,0,0,0,1|1,1,1]=4 220 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,0,0,0,0,1|1,1,0]=3 221 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,0,0,0,0,1|0,1,0]=2 222 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [2,0,0,0,0,0|1,0,1]=4 223 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [2,0,0,0,0,0|1,0,1]=4 224 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [2,0,0,0,0,0|1,0,0]=3 225 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [2,0,0,0,0,0|1,0,0]=3 226 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [2,0,0,0,0,0|1,0,1]=4 227 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|0,1,1]=4 228 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|1,0,1]=4 229 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|1,0,1]=4 230 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|1,0,1]=4 231 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|0,0,1]=3 232 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|0,0,1]=3 233 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|0,0,1]=3 234 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|0,0,1]=3 235 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|0,1,1]=4 236 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,1,0,0,0,0|2,0,0]=4 237 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,1,0,0,0,0|2,0,0]=4 238 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [1,1,0,0,0,0|2,0,0]=4 239 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [1,1,0,0,0,0|2,0,0]=4 240 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [1,1,0,0,0,0|2,0,0]=4 241 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [1,1,0,0,0,0|2,0,0]=4 242 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [1,1,0,0,0,0|2,0,0]=4 243 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [1,1,0,0,0,0|2,0,0]=4 244 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,1,0,0,0,0|2,0,0]=4 245 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,1,0,0,0,0|2,0,0]=4 246 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,1,0,0,0,0|1,1,0]=4 247 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,1,0,0,0,0|1,1,0]=4 248 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,1,0,0,0,0|1,1,0]=4 249 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [1,1,0,0,0,0|2,0,0]=4 250 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [1,1,0,0,0,0|2,0,0]=4 251 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [1,1,0,0,0,0|2,0,0]=4 252 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,1,0,0,0,0|2,0,0]=4 253 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,1,0,0,0,0|1,0,1]=4 254 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,1,0,0,0,0|1,0,1]=4 255 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,1,0,0,0,0|1,0,1]=4 256 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,1,0,0,0,0|1,0,1]=4 257 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,1,0,0,0,0|1,0,1]=4 258 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,1,0,0,0,0|0,1,1]=4 259 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,1,0,0,0,0|0,1,1]=4 260 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,1,0,0,0,0|0,1,1]=4 261 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,1,0,0,0,0|0,1,1]=4 262 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,1,0,0,0,0|0,1,1]=4 263 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,1,0,0,0,0|0,1,1]=4 264 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [1,1,0,0,0,0|2,0,0]=4 266 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [1,1,0,0,0,0|2,0,0]=4 267 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [1,1,0,0,0,0|2,0,0]=4 268 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [1,1,0,0,0,0|2,0,0]=4 269 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [1,1,0,0,0,0|2,0,0]=4 270 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [1,1,0,0,0,0|2,0,0]=4 271 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [1,1,0,0,0,0|1,1,0]=4 272 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [1,1,0,0,0,0|1,1,0]=4 273 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [1,1,0,0,0,0|1,1,0]=4 274 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [1,1,0,0,0,0|2,0,0]=4 275 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [1,1,0,0,0,0|2,0,0]=4 276 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [1,1,0,0,0,0|2,0,0]=4 277 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,1,0,0,0,0|2,0,0]=4 278 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,1,0,0,0,0|2,0,0]=4 279 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [1,1,0,0,0,0|2,0,0]=4 280 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [1,1,0,0,0,0|2,0,0]=4 281 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,1,0,0,0,0|1,0,1]=4 282 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,1,0,0,0,0|1,0,1]=4 283 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,1,0,0,0,0|1,0,1]=4 284 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,1,0,0,0,0|1,0,1]=4 285 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [1,1,0,0,0,0|1,0,1]=4 286 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [1,1,0,0,0,0|1,0,1]=4 287 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [1,1,0,0,0,0|1,0,1]=4 288 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [1,1,0,0,0,0|1,0,1]=4 289 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,1,0,0,0,0|2,0,0]=4 290 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,1,0,0,0,0|2,0,0]=4 291 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,1,0,0,0,0|2,0,0]=4 292 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,1,0,0,0,0|2,0,0]=4 293 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,1,0,0,0,0|2,0,0]=4 294 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,1,0,0,0,0|2,0,0]=4 295 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,1,0,0,0,0|1,0,0]=3 296 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,1,0,0,0,0|1,0,0]=3 297 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,1,0,0,0,0|1,0,0]=3 298 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [1,1,0,0,0,0|0,0,2]=4 299 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [1,1,0,0,0,0|0,0,2]=4 300 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,1,0,0,0,0|1,0,1]=4 301 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,1,0,0,0,0|1,0,1]=4 303 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,1,0,0,0,0|1,0,1]=4 304 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|0,1,1]=4 305 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|0,1,1]=4 306 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,1,0,0,0,0|2,0,0]=4 307 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,1,0,0,0,0|2,0,0]=4 308 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,1,0,0,0,0|2,0,0]=4 309 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,1,0,0,0,0|1,0,0]=3 310 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,1,0,0,0,0|2,0,0]=4 311 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,1,0,0,0,0|2,0,0]=4 312 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 313 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 314 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 315 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|1,0,1]=4 316 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,1,0,0,0,0|0,1,1]=4 317 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,1,0,0,0,0|0,1,1]=4 318 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,1,0,0,0,0|1,0,1]=4 319 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|1,0,1]=4 320 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,1,0,0,0,0|1,0,1]=4 321 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,1,0,0,0,0|1,1,0]=4 322 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,1,0,0,0,0|1,1,0]=4 323 B8R0.9 C#CC(=NNC(=O)C)C 4a_100000189765_100000690481 [0,1,0,0,0,1|2,0,0]=4 324 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,1,0,0,0,1|2,0,0]=4 325 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,1,0,0,0,1|2,0,0]=4 326 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,1,0,0,0,1|2,0,0]=4 327 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,1,0,0,0,1|2,0,0]=4 328 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [0,1,0,0,0,1|2,0,0]=4 329 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [0,1,0,0,0,1|2,0,0]=4 330 B8R0.9 C=C(C)CNC(=O)NC 2708a_100000765925_106832991635 [0,1,0,0,0,1|1,1,0]=4 331 B8R0.9 C=C(C)CNC(=O)NC 2708a_100102657272_100000765925 [0,1,0,0,0,1|1,1,0]=4 332 B8R0.9 C=C(C)CNC(=O)NC 273464a_100000765925_100102657272 [0,1,0,0,0,1|1,1,0]=4 333 B8R0.9 C=C(C)CNC(=O)NC 273464a_100102657272_100000765925 [0,1,0,0,0,1|1,1,0]=4 334 B8R0.9 C=C(C)CNC(=O)NC 512a_100000765925_100102657272 [0,1,0,0,0,1|1,1,0]=4 335 B8R0.9 C=C(C)CNC(=O)NC 512a_106832991638_100000765925 [0,1,0,0,0,1|1,1,0]=4 336 B8R0.9 C=CC(=NNC(=O)C)C 4a_100000189765_200015361842 [0,1,0,0,0,1|2,0,0]=4 337 B8R0.9 C=CC(=O)NCC(=O)C 1458a_200011222540_200000210301 [0,1,0,0,0,1|1,1,0]=4 338 B8R0.9 C=CC(=O)NCC(=O)N 240690a_100000711301_200121576911 [0,1,0,0,0,1|0,1,1]=4 339 B8R0.9 C=CC(=O)NCC(=O)[13CH3] 1458a_200011222540_200025704644 [0,1,0,0,0,1|1,1,0]=4 340 B8R0.9 C=CC(=O)NNC(=O)C 22a_100000189765_100000185746 [0,1,0,0,0,1|1,1,0]=4 341 B8R0.9 CC(=O)NCC(=O)CF 1458a_100000194580_100015361967 [0,1,0,0,0,1|1,1,0]=4 342 B8R0.9 CC(=O)NN=C(C)CF 4a_100000189765_100000039719 [0,1,0,0,0,1|2,0,0]=4 343 B8R0.9 CC(=O)NN=C(C)CO 4a_100000189765_100000211253 [0,1,0,0,0,1|1,1,0]=4 344 B8R0.9 CC(=O)NNC(=O)CO 22a_100000189765_100000210174 [0,1,0,0,0,1|1,1,0]=4 345 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,1,0,0,0,1|1,1,0]=4 346 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,1,0,0,0,1|1,1,0]=4 347 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [0,1,0,0,0,1|0,1,0]=3 348 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,1,0,0,0,1|1,1,0]=4 349 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,1,0,0,0,1|0,1,0]=3 350 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,1,0,0,0,1|0,1,0]=3 351 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,1,0,0,0,1|0,1,0]=3 352 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,1,0,0,0,1|1,1,0]=4 353 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [0,1,0,0,0,1|1,1,0]=4 354 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [0,1,0,0,0,1|1,1,0]=4 355 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [0,1,0,0,0,1|1,1,0]=4 356 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [0,1,0,0,0,1|1,1,0]=4 357 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,1,0,0,0,1|1,1,0]=4 358 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,1,0,0,0,1|1,1,0]=4 359 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,1,0,0,0,1|1,1,0]=4 360 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,1,0,0,0,1|1,1,0]=4 361 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,1,0,0,0,1|0,1,0]=3 362 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,1,0,0,0,1|0,1,0]=3 363 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,1,0,0,0,1|0,1,0]=3 364 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,1,0,0,0,1|0,1,0]=3 365 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,1,0,0,0,1|0,1,0]=3 366 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,1,0,0,0,1|0,1,0]=3 367 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,1,0,0,0,1|0,1,0]=3 368 B8R0.9 CNC(=O)CNC(=O)N 240690a_100102657272_100000184981 [0,1,0,0,0,1|0,1,0]=3 369 B8R0.9 CNC(=O)CNC(=O)N 527a_100102657272_100000184981 [0,1,0,0,0,1|0,1,0]=3 370 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,1,0,0,0,1|1,1,0]=4 371 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,1,0,0,0,1|1,1,0]=4 372 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,1,0,0,0,1|1,1,0]=4 373 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [0,1,0,0,0,1|1,1,0]=4 374 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [0,1,0,0,0,1|1,1,0]=4 375 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [0,1,0,0,0,1|1,1,0]=4 376 B8R0.9 CNC(=O)CSC(=O)N 240690a_100102657272_200015941356 [0,1,0,0,0,1|1,1,0]=4 377 B8R0.9 CNC(=O)NCC(=O)N 2708a_100102657272_100000711301 [0,1,0,0,0,1|0,1,0]=3 378 B8R0.9 CNC(=O)NCC(=O)N 273464a_100000711301_100102657272 [0,1,0,0,0,1|0,1,0]=3 379 B8R0.9 CNC(=O)NCC(=O)N 273464a_100102657272_100000711301 [0,1,0,0,0,1|0,1,0]=3 380 B8R0.9 CNC(=O)NCC(=O)N 512a_106832991638_100000711301 [0,1,0,0,0,1|0,1,0]=3 381 B8R0.9 CNC(=O)NNC(=O)C 273464a_100102657272_100000189765 [0,1,0,0,0,1|0,1,0]=3 382 B8R0.9 CNC(=O)NNC(=O)C 512a_100000189765_100102657272 [0,1,0,0,0,1|0,1,0]=3 383 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,1,0,0,0,1|1,1,0]=4 384 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,1,0,0,0,1|1,1,0]=4 385 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,1,0,0,0,1|1,1,0]=4 386 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [0,1,0,0,0,1|1,1,0]=4 387 B8R0.9 NC(=O)CNC(=O)CO 240690a_100000711301_100000210174 [0,1,0,0,0,1|0,1,0]=3 388 B8R0.9 NC(=O)CNC(=O)CO 527a_100000711301_100000210174 [0,1,0,0,0,1|0,1,0]=3 389 B8R0.9 NC(=O)NCC(=O)CF 1458a_100000184981_100015361967 [0,1,0,0,0,1|0,1,0]=3 390 B8R0.23 C=C(C)CN(C)C(=O)C 11a_100000225649_100015343762 [0,1,0,0,0,1|2,0,0]=4 391 B8R0.23 C=C(C)CN(C)C(=O)C 1626a_100000225649_100015343762 [0,1,0,0,0,1|2,0,0]=4 392 B8R0.23 C=C(C)CN(C)C(=O)C 527a_100000225649_100103153847 [0,1,0,0,0,1|2,0,0]=4 393 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,1,0,0,0,1|1,1,0]=4 394 B8R0.23 CC(=O)CN(C)C(=O)N 1458a_100000218718_200000210301 [0,1,0,0,0,1|0,1,0]=3 395 B8R0.23 CC(=O)N(C)CC(=O)N 11a_100000739694_100015343762 [0,1,0,0,0,1|0,1,0]=3 396 B8R0.23 CC(=O)N(C)CC(=O)N 527a_100000739694_100103153847 [0,1,0,0,0,1|0,1,0]=3 397 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,1,0,0,0,1|1,1,0]=4 398 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,1,0,0,0,1|1,1,0]=4 399 B8R0.23 CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100015343762 [0,1,0,0,0,1|0,1,0]=3 400 B8R0.23 CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100015343762 [0,1,0,0,0,1|0,1,0]=3 401 B8R0.23 CC(=O)N[C@H](C)C(=O)N 527a_100000119354_100103153847 [0,1,0,0,0,1|0,1,0]=3 402 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,1,0,0,0,1|1,1,0]=4 403 B8R0.23 CN(CC(=O)[13CH3])C(=O)N 1458a_100000218718_200025704644 [0,1,0,0,0,1|0,1,0]=3 404 B8R0.2 CC(C(=O)N)C(=O)CO 1458a_100000210174_100000702099 [0,2,0,0,0,0|1,1,0]=4 405 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [0,2,0,0,0,0|1,1,0]=4 406 B8R0.2 CCC(=O)C(F)C(=O)N 1458a_100000210414_100009813875 [0,2,0,0,0,0|1,1,0]=4 407 B8R0.2 CNC(=O)C(C)C(=O)C 1458a_100000070787_100000209862 [0,2,0,0,0,0|1,1,0]=4 408 B8R0.2 CNC(=O)C(F)C(=O)C 1458a_100000070787_100009813575 [0,2,0,0,0,0|1,1,0]=4 409 B8R0.2 NC(=O)C(F)C(=O)CO 1458a_100000210174_100009813875 [0,2,0,0,0,0|1,1,0]=4 410 B8R0.5 C#CCC(=O)CC(=O)N 1458a_100011220946_100000187820 [0,2,0,0,0,0|1,1,0]=4 411 B8R0.5 C#CCC(=O)CC(=O)N 1458a_100134613110_100000184674 [0,2,0,0,0,0|1,1,0]=4 412 B8R0.5 C=CCC(=O)CC(=O)N 1458a_100000210193_100000187820 [0,2,0,0,0,0|1,1,0]=4 413 B8R0.5 C=CCC(=O)CC(=O)N 1458a_100134613110_100000210623 [0,2,0,0,0,0|1,1,0]=4 414 B8R0.5 CC#CC(=O)CC(=O)N 1458a_100000763181_100000187820 [0,2,0,0,0,0|1,1,0]=4 415 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,2,0,0,0,0|1,1,0]=4 416 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,2,0,0,0,0|1,0,1]=4 417 B8R0.5 CC=CC(=O)CC(=O)N 1458a_100000210699_100000187820 [0,2,0,0,0,0|1,1,0]=4 418 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,2,0,0,0,0|1,1,0]=4 419 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,2,0,0,0,0|1,1,0]=4 420 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,2,0,0,0,0|1,1,0]=4 421 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,2,0,0,0,0|1,1,0]=4 422 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,2,0,0,0,0|1,1,0]=4 423 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,2,0,0,0,0|0,1,0]=3 424 B8R0.5 CNCC(=O)NC(=O)N 2230a_106832991635_100000182717 [0,2,0,0,0,0|0,1,0]=3 425 B8R0.5 CNCC(=O)NC(=O)N 7a_106832991635_100000182717 [0,2,0,0,0,0|0,1,0]=3 426 B8R0.5 CNNC(=O)CC(=O)N 22a_100016993582_100134613110 [0,2,0,0,0,0|1,1,0]=4 427 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [0,2,0,0,0,0|1,1,0]=4 428 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [0,2,0,0,0,0|1,1,0]=4 429 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,2,0,0,0,0|1,0,1]=4 430 B8R0.5 CSCC(=O)NC(=O)N 62a_200000210301_100000182717 [0,2,0,0,0,0|0,1,0]=3 431 B8R0.5 N#CCC(=O)CC(=O)N 1458a_100051588842_100000187820 [0,2,0,0,0,0|1,1,0]=4 432 B8R0.5 N#CCC(=O)CC(=O)N 1458a_100134613110_100011214920 [0,2,0,0,0,0|1,1,0]=4 433 B8R0.5 NC(=O)CC(=O)CCF 1458a_100134613110_100011217306 [0,2,0,0,0,0|1,1,0]=4 434 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [0,2,0,0,0,0|1,1,0]=4 435 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [0,2,0,0,0,0|1,1,0]=4 436 B8R0.5 [13CH3]SCC(=O)NC(=O)N 62a_200025704644_100000182717 [0,2,0,0,0,0|0,1,0]=3 437 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,2,0,0,0,0|1,1,0]=4 438 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [0,2,0,0,0,0|1,1,0]=4 439 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,2,0,0,0,0|1,1,0]=4 440 B8R0.18 CCC(C(=O)C)C(=O)N 1458a_100000070787_100000750255 [0,2,0,0,0,0|1,1,0]=4 441 B8R0.37 CC(=O)C(F)(F)C(=O)N 1458a_100000070787_100009811971 [0,2,0,0,0,0|1,1,0]=4 442 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,0,0,1,0,1|1,1,0]=4 443 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,0,0,1,0,1|1,1,0]=4 444 B8R0.28 C=C(C)C=NNC(=O)C 4a_100000189765_100000210575 [0,0,0,0,0,2|2,0,0]=4 445 B8R0.28 C=C(C)CNCC(=O)N 2230a_100000711301_100000748629 [0,0,0,0,0,2|1,1,0]=4 446 B8R0.28 C=C(C)CNNC(=O)C 22a_100000729518_100000070787 [0,0,0,0,0,2|2,0,0]=4 447 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,0,0,0,0,2|1,1,0]=4 448 B8R0.28 CC(=O)CCN=C(N)N 1458a_100000033030_200000210301 [0,0,0,0,0,2|1,0,1]=4 449 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,0,0,0,0,2|1,1,0]=4 450 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,0,0,0,0,2|1,1,0]=4 451 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [0,0,0,0,0,2|0,1,0]=3 452 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [0,0,0,0,0,2|0,1,0]=3 453 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,0,0,0,0,2|1,1,0]=4 454 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [0,0,0,0,0,2|1,1,0]=4 455 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [0,0,0,0,0,2|1,1,0]=4 456 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [0,0,0,0,0,2|2,0,0]=4 457 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [0,0,0,0,0,2|2,0,0]=4 458 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [0,0,0,0,0,2|2,0,0]=4 459 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [0,0,0,0,0,2|0,1,0]=3 460 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [0,0,0,0,0,2|0,1,0]=3 461 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [0,0,0,0,0,2|0,1,0]=3 462 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,0,0,0,0,2|1,1,0]=4 463 B8R0.28 NC(=O)CNCC(=O)N 2230a_100000711301_100000747473 [0,0,0,0,0,2|1,1,0]=4 464 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [0,0,0,0,0,2|1,1,0]=4 465 B8R0.28 [13CH3]C(=O)CCN=C(N)N 1458a_100000033030_200025704644 [0,0,0,0,0,2|1,0,1]=4 466 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [0,0,0,0,0,2|0,1,0]=3 467 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [0,0,0,0,0,2|1,1,0]=4 468 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [3,0,0,0,0,0|0,0,1]=4 469 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [3,0,0,0,0,0|0,0,1]=4 470 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [2,1,0,0,0,0|1,0,0]=4 471 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [2,1,0,0,0,0|1,0,0]=4 472 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [2,1,0,0,0,0|1,0,0]=4 473 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [2,1,0,0,0,0|1,0,0]=4 474 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [2,1,0,0,0,0|0,0,1]=4 475 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [2,1,0,0,0,0|0,0,1]=4 476 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [2,1,0,0,0,0|0,0,1]=4 477 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [2,1,0,0,0,0|0,0,1]=4 478 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [2,1,0,0,0,0|0,0,1]=4 479 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [2,1,0,0,0,0|0,0,1]=4 480 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [2,1,0,0,0,0|0,0,1]=4 481 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [2,1,0,0,0,0|0,0,1]=4 482 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [2,1,0,0,0,0|0,0,1]=4 483 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [1,2,0,0,0,0|1,0,0]=4 484 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [1,2,0,0,0,0|1,0,0]=4 485 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [1,2,0,0,0,0|1,0,0]=4 486 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [1,2,0,0,0,0|1,0,0]=4 487 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [1,2,0,0,0,0|1,0,0]=4 488 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [1,2,0,0,0,0|1,0,0]=4 489 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [1,2,0,0,0,0|1,0,0]=4 490 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [1,2,0,0,0,0|1,0,0]=4 491 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [1,2,0,0,0,0|1,0,0]=4 492 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [1,2,0,0,0,0|1,0,0]=4 493 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [1,2,0,0,0,0|1,0,0]=4 494 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [1,2,0,0,0,0|1,0,0]=4 495 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [1,2,0,0,0,0|1,0,0]=4 496 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [1,2,0,0,0,0|1,0,0]=4 497 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [1,2,0,0,0,0|1,0,0]=4 498 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [1,2,0,0,0,0|1,0,0]=4 499 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [1,2,0,0,0,0|1,0,0]=4 500 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [1,2,0,0,0,0|1,0,0]=4 501 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [1,2,0,0,0,0|1,0,0]=4 502 B7R0.4 C=CCNNC(=O)C 22a_100020588587_100000070787 [1,2,0,0,0,0|1,0,0]=4 503 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,2,0,0,0,0|0,0,1]=4 504 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,2,0,0,0,0|1,0,0]=4 505 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,2,0,0,0,0|0,0,1]=4 506 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,2,0,0,0,0|0,0,1]=4 507 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,2,0,0,0,0|0,0,1]=4 508 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [1,2,0,0,0,0|0,1,0]=4 509 B9R0.1 CC(=O)NN=C/C(=C\N)/C 4a_100000189765_100050415766 [0,1,0,0,0,2|1,0,0]=4 510 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000181464_100000210202 [0,1,0,0,0,2|0,1,0]=4 511 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000210414_200000034859 [0,1,0,0,0,2|0,1,0]=4 512 B9R0.1 CCC(=O)NCCC(=O)N 11a_100000740010_100000210414 [0,1,0,0,0,2|0,1,0]=4 513 B9R0.1 CCC(=O)NCCC(=O)N 240690a_100000740010_100000210414 [0,1,0,0,0,2|0,1,0]=4 514 B9R0.1 CCC(=O)NCCC(=O)N 527a_100000740010_100000210414 [0,1,0,0,0,2|0,1,0]=4 515 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [0,1,0,0,0,2|0,1,0]=4 516 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [0,1,0,0,0,2|0,1,0]=4 517 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [0,1,0,0,0,2|0,1,0]=4 518 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [0,1,0,0,0,2|0,1,0]=4 519 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [0,1,0,0,0,2|0,1,0]=4 520 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [0,1,0,0,0,2|0,1,0]=4 521 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [0,1,0,0,0,2|0,1,0]=4 522 B9R0.1 CNC(=O)CCNC(=O)N 240690a_100102657272_100000181464 [0,1,0,0,0,2|0,1,0]=4 523 B9R0.1 CNC(=O)CCNC(=O)N 527a_100102657272_100000181464 [0,1,0,0,0,2|0,1,0]=4 524 B9R0.1 CNC(=O)CNCC(=O)N 2230a_100000693194_100000747473 [0,1,0,0,0,2|0,1,0]=4 525 B9R0.1 CNC(=O)CNCC(=O)N 2230a_100000711301_100000183359 [0,1,0,0,0,2|0,1,0]=4 526 B9R0.1 CNC(=O)NCCC(=O)N 2708a_100102657272_100000740010 [0,1,0,0,0,2|0,1,0]=4 527 B9R0.1 CNC(=O)NCCC(=O)N 273464a_100000740010_100102657272 [0,1,0,0,0,2|0,1,0]=4 528 B9R0.1 CNC(=O)NCCC(=O)N 273464a_100102657272_100000740010 [0,1,0,0,0,2|0,1,0]=4 529 B9R0.1 CNC(=O)NCCC(=O)N 512a_106832991638_100000740010 [0,1,0,0,0,2|0,1,0]=4 530 B9R0.1 COC(=O)CNCC(=O)N 2230a_100000711301_100000747449 [0,1,0,0,0,2|0,1,0]=4 531 B9R0.1 NC(=O)CCNC(=O)CO 240690a_100000740010_100000210174 [0,1,0,0,0,2|0,1,0]=4 532 B9R0.1 NC(=O)CCNC(=O)CO 527a_100000740010_100000210174 [0,1,0,0,0,2|0,1,0]=4 533 B9R0.1 NC(=O)NCCC(=O)CF 1458a_100000181464_100015361967 [0,1,0,0,0,2|0,1,0]=4 534 B9R0.1 NC(=O)NCCC(=O)CO 1458a_100000210174_200000034859 [0,1,0,0,0,2|0,1,0]=4 535 B9R0.7 CC(=O)C(C)NCC(=O)N 2230a_100000711301_100009814033 [0,1,0,0,0,2|0,1,0]=4 536 B9R0.7 CC(=O)N(C)CCC(=O)N 11a_100000730477_100015343762 [0,1,0,0,0,2|0,1,0]=4 537 B9R0.7 CC(=O)N(C)CCC(=O)N 240690a_100000730477_100015343762 [0,1,0,0,0,2|0,1,0]=4 538 B9R0.7 CC(=O)N(C)CCC(=O)N 527a_100000730477_100103153847 [0,1,0,0,0,2|0,1,0]=4 539 B9R0.7 CC(=O)NNC(=O)C(=O)N 22a_100000189765_100011215815 [0,1,0,0,0,2|0,1,0]=4 540 B9R0.7 CC(=O)NNC(=O)C(=O)N 22a_100000211141_100000070787 [0,1,0,0,0,2|0,1,0]=4 541 B9R0.53 CC(=O)CC(=O)NC(=O)N 1458a_100000070787_100000182717 [0,1,0,0,0,2|0,1,0]=4 542 B9R0.23 C=C(NC(=O)C)C(=O)NC 240690a_100102657272_100000758921 [0,2,0,0,0,1|0,1,0]=4 543 B9R0.23 CCC(=O)N(C)CC(=O)N 11a_100000739694_100000210414 [0,2,0,0,0,1|0,1,0]=4 544 B9R0.23 CCC(=O)N(C)CC(=O)N 527a_100000739694_100000210414 [0,2,0,0,0,1|0,1,0]=4 545 B9R0.23 CN(CC(=O)N)C(=O)CO 527a_100000739694_100000210174 [0,2,0,0,0,1|0,1,0]=4 546 B9R0.23 CNC(=O)N(C)CC(=O)N 2708a_100102657272_100000739694 [0,2,0,0,0,1|0,1,0]=4 547 B9R0.23 CNC(=O)N(C)CC(=O)N 273464a_100102657272_100000739694 [0,2,0,0,0,1|0,1,0]=4 548 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 11a_100000684985_100015343762 [0,2,0,0,0,1|0,1,0]=4 549 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 11a_106832991635_100011504603 [0,2,0,0,0,1|0,1,0]=4 550 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 1626a_100102657272_100011504603 [0,2,0,0,0,1|0,1,0]=4 551 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 240690a_100000684985_100015343762 [0,2,0,0,0,1|0,1,0]=4 552 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 240690a_100102657272_100011504603 [0,2,0,0,0,1|0,1,0]=4 553 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 527a_100000684985_100103153847 [0,2,0,0,0,1|0,1,0]=4 554 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 527a_100102657272_100011504603 [0,2,0,0,0,1|0,1,0]=4 555 B9R0.24 CCC(=O)NCC(=O)NC 11a_100000693194_100000210414 [0,2,0,0,0,1|0,1,0]=4 556 B9R0.24 CCC(=O)NCC(=O)NC 11a_106832991635_100000194589 [0,2,0,0,0,1|0,1,0]=4 557 B9R0.24 CCC(=O)NCC(=O)NC 1626a_100102657272_100000194589 [0,2,0,0,0,1|0,1,0]=4 558 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100000693194_100000210414 [0,2,0,0,0,1|0,1,0]=4 559 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100102657272_100000194589 [0,2,0,0,0,1|0,1,0]=4 560 B9R0.24 CCC(=O)NCC(=O)NC 527a_100000693194_100000210414 [0,2,0,0,0,1|0,1,0]=4 561 B9R0.24 CCC(=O)NCC(=O)NC 527a_100102657272_100000194589 [0,2,0,0,0,1|0,1,0]=4 562 B9R0.24 CCC(=O)NNC(=O)NC 273464a_100102657272_100000183195 [0,2,0,0,0,1|0,1,0]=4 563 B9R0.24 CCC(=O)NNC(=O)NC 512a_106832991638_100000183195 [0,2,0,0,0,1|0,1,0]=4 564 B9R0.24 CNC(=O)CNC(=O)CO 240690a_100000693194_100000210174 [0,2,0,0,0,1|0,1,0]=4 565 B9R0.24 CNC(=O)CNC(=O)CO 527a_100000693194_100000210174 [0,2,0,0,0,1|0,1,0]=4 566 B9R0.24 CNC(=O)CNC(=O)NC 2708a_100102657272_100000693194 [0,2,0,0,0,1|0,1,0]=4 567 B9R0.24 CNC(=O)CNC(=O)NC 273464a_100000693194_100102657272 [0,2,0,0,0,1|0,1,0]=4 568 B9R0.24 CNC(=O)CNC(=O)NC 273464a_100102657272_100000693194 [0,2,0,0,0,1|0,1,0]=4 569 B9R0.24 CNC(=O)CNC(=O)NC 512a_106832991638_100000693194 [0,2,0,0,0,1|0,1,0]=4 570 B9R0.24 CNC(=O)CNC(=O)OC 11a_106832991635_100000215747 [0,2,0,0,0,1|0,1,0]=4 571 B9R0.24 CNC(=O)CNC(=O)OC 1626a_100102657272_100000215747 [0,2,0,0,0,1|0,1,0]=4 572 B9R0.24 CNC(=O)CNC(=O)OC 240690a_100102657272_100000215747 [0,2,0,0,0,1|0,1,0]=4 573 B9R0.24 CNC(=O)CNC(=O)OC 527a_100102657272_100000215747 [0,2,0,0,0,1|0,1,0]=4 574 B9R0.42 CCC(=O)CN(C)C(=O)N 1458a_100000218718_100000210202 [0,2,0,0,0,1|0,1,0]=4 575 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210414 [0,2,0,0,0,1|0,1,0]=4 576 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210414 [0,2,0,0,0,1|0,1,0]=4 577 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210414 [0,2,0,0,0,1|0,1,0]=4 578 B9R0.42 CN(CC(=O)CF)C(=O)N 1458a_100000218718_100015361967 [0,2,0,0,0,1|0,1,0]=4 579 B9R0.42 CNC(=O)CN(C)C(=O)C 11a_100000189611_100015343762 [0,2,0,0,0,1|0,1,0]=4 580 B9R0.42 CNC(=O)CN(C)C(=O)C 11a_106832991635_100000194957 [0,2,0,0,0,1|0,1,0]=4 581 B9R0.42 CNC(=O)CN(C)C(=O)C 1626a_100102657272_100000194957 [0,2,0,0,0,1|0,1,0]=4 582 B9R0.42 CNC(=O)CN(C)C(=O)C 240690a_100000189611_100015343762 [0,2,0,0,0,1|0,1,0]=4 583 B9R0.42 CNC(=O)CN(C)C(=O)C 240690a_100102657272_100000194957 [0,2,0,0,0,1|0,1,0]=4 584 B9R0.42 CNC(=O)CN(C)C(=O)C 527a_100000189611_100103153847 [0,2,0,0,0,1|0,1,0]=4 585 B9R0.42 CNC(=O)CN(C)C(=O)C 527a_100102657272_100000194957 [0,2,0,0,0,1|0,1,0]=4 586 B9R0.42 CNC(=O)CN(C)C(=O)N 240690a_100102657272_100000218718 [0,2,0,0,0,1|0,1,0]=4 587 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 273464a_100000119354_100102657272 [0,2,0,0,0,1|0,1,0]=4 588 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 273464a_100102657272_100000119354 [0,2,0,0,0,1|0,1,0]=4 589 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 512a_100000119354_100102657272 [0,2,0,0,0,1|0,1,0]=4 590 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 512a_106832991638_100000119354 [0,2,0,0,0,1|0,1,0]=4 591 B9R0.42 C[C@@H](NC(=O)CO)C(=O)N 240690a_100000119354_100000210174 [0,2,0,0,0,1|0,1,0]=4 592 B9R0.42 C[C@@H](NC(=O)CO)C(=O)N 527a_100000119354_100000210174 [0,2,0,0,0,1|0,1,0]=4 593 B9R0.48 C#CCC(=O)CNC(=O)N 1458a_100000184981_100000184674 [0,2,0,0,0,1|0,1,0]=4 594 B9R0.48 C#CCC(=O)NCC(=O)N 527a_100000711301_100011220946 [0,2,0,0,0,1|0,1,0]=4 595 B9R0.48 C=CCC(=O)CNC(=O)N 1458a_100000184981_100000210623 [0,2,0,0,0,1|0,1,0]=4 596 B9R0.48 C=CCC(=O)NCC(=O)N 11a_100000711301_100000210193 [0,2,0,0,0,1|0,1,0]=4 597 B9R0.48 C=CCC(=O)NCC(=O)N 240690a_100000711301_100000210193 [0,2,0,0,0,1|0,1,0]=4 598 B9R0.48 C=CCC(=O)NCC(=O)N 527a_100000711301_100000210193 [0,2,0,0,0,1|0,1,0]=4 599 B9R0.48 CC=CC(=O)NCC(=O)N 11a_100000711301_100000210699 [0,2,0,0,0,1|0,1,0]=4 600 B9R0.48 CC=CC(=O)NCC(=O)N 240690a_100000711301_100000210699 [0,2,0,0,0,1|0,1,0]=4 601 B9R0.48 CCCC(=O)CNC(=O)N 1458a_100000184981_100000210303 [0,2,0,0,0,1|0,1,0]=4 602 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [0,2,0,0,0,1|0,1,0]=4 603 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [0,2,0,0,0,1|0,1,0]=4 604 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [0,2,0,0,0,1|0,1,0]=4 605 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,2,0,0,0,1|0,1,0]=4 606 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,2,0,0,0,1|0,1,0]=4 607 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,2,0,0,0,1|0,1,0]=4 608 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,2,0,0,0,1|0,1,0]=4 609 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,2,0,0,0,1|0,1,0]=4 610 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,2,0,0,0,1|0,1,0]=4 611 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,2,0,0,0,1|0,1,0]=4 612 B9R0.48 CCNC(=O)CNC(=O)N 240690a_100015525214_100000184981 [0,2,0,0,0,1|0,1,0]=4 613 B9R0.48 CCNC(=O)CNC(=O)N 527a_100015525214_100000184981 [0,2,0,0,0,1|0,1,0]=4 614 B9R0.48 CCNC(=O)NCC(=O)N 2708a_100015525214_100000711301 [0,2,0,0,0,1|0,1,0]=4 615 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100000711301_100015525214 [0,2,0,0,0,1|0,1,0]=4 616 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100015525214_100000711301 [0,2,0,0,0,1|0,1,0]=4 617 B9R0.48 CCNC(=O)NCC(=O)N 512a_100015525214_100000711301 [0,2,0,0,0,1|0,1,0]=4 618 B9R0.48 CCNC(=O)NNC(=O)C 273464a_100015525214_100000189765 [0,2,0,0,0,1|0,1,0]=4 619 B9R0.48 CCNC(=O)NNC(=O)C 512a_100000189765_100015525214 [0,2,0,0,0,1|0,1,0]=4 620 B9R0.48 CNCC(=O)NNC(=O)C 2230a_106832991635_100000181415 [0,2,0,0,0,1|0,1,0]=4 621 B9R0.48 CNCC(=O)NNC(=O)C 7a_106832991635_100000181415 [0,2,0,0,0,1|0,1,0]=4 622 B9R0.48 CNNC(=O)CNC(=O)C 22a_100016993582_100000194580 [0,2,0,0,0,1|0,1,0]=4 623 B9R0.48 CNNC(=O)CNC(=O)N 22a_100016993582_100000184981 [0,2,0,0,0,1|0,1,0]=4 624 B9R0.48 CNNC(=O)NCC(=O)N 273464a_100000711301_100016993582 [0,2,0,0,0,1|0,1,0]=4 625 B9R0.48 CNNC(=O)NCC(=O)N 512a_100016993582_100000711301 [0,2,0,0,0,1|0,1,0]=4 626 B9R0.48 CNNC(=O)NNC(=O)C 512a_100000189765_100016993582 [0,2,0,0,0,1|0,1,0]=4 627 B9R0.48 COCC(=O)NCC(=O)N 11a_100000711301_100000210968 [0,2,0,0,0,1|0,1,0]=4 628 B9R0.48 COCC(=O)NCC(=O)N 240690a_100000711301_100000210968 [0,2,0,0,0,1|0,1,0]=4 629 B9R0.48 COCC(=O)NCC(=O)N 527a_100000711301_100000210968 [0,2,0,0,0,1|0,1,0]=4 630 B9R0.48 CSCC(=O)NCC(=O)N 11a_100000711301_100000184570 [0,2,0,0,0,1|0,1,0]=4 631 B9R0.48 CSCC(=O)NCC(=O)N 240690a_100000711301_100000184570 [0,2,0,0,0,1|0,1,0]=4 632 B9R0.48 CSCC(=O)NCC(=O)N 527a_100000711301_100000184570 [0,2,0,0,0,1|0,1,0]=4 633 B9R0.48 N#CCC(=O)CNC(=O)N 1458a_100000184981_100011214920 [0,2,0,0,0,1|0,1,0]=4 634 B9R0.48 N#CCC(=O)NCC(=O)N 240690a_100000711301_100051588842 [0,2,0,0,0,1|0,1,0]=4 635 B9R0.48 NC(=O)CNC(=O)CCO 240690a_100000711301_100011216618 [0,2,0,0,0,1|0,1,0]=4 636 B9R0.48 NC(=O)NCC(=O)CCF 1458a_100000184981_100011217306 [0,2,0,0,0,1|0,1,0]=4 637 B9R0.48 NC(=O)NCC(=O)CCO 1458a_100000184981_100000211926 [0,2,0,0,0,1|0,1,0]=4 638 B9R0.11 CC(=O)NC(C)(C)C(=O)N 11a_100000743658_100015343762 [0,2,0,0,0,1|0,1,0]=4 639 B9R0.11 CC(=O)NC(C)(C)C(=O)N 240690a_100000743658_100015343762 [0,2,0,0,0,1|0,1,0]=4 640 B9R0.11 CC(=O)NC(C)(C)C(=O)N 527a_100000743658_100103153847 [0,2,0,0,0,1|0,1,0]=4 641 B9R0.39 CC(=O)NC(C#N)C(=O)N 1626a_100000039599_100015343762 [0,2,0,0,0,1|0,1,0]=4 642 B9R0.39 CC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100015343762 [0,2,0,0,0,1|0,1,0]=4 643 B9R0.39 CCC(NC(=O)C)C(=O)N 11a_100000733705_100015343762 [0,2,0,0,0,1|0,1,0]=4 644 B9R0.39 CCC(NC(=O)C)C(=O)N 1626a_100000733705_100015343762 [0,2,0,0,0,1|0,1,0]=4 645 B9R0.39 CCC(NC(=O)C)C(=O)N 240690a_100000733705_100015343762 [0,2,0,0,0,1|0,1,0]=4 646 B9R0.39 CCC(NC(=O)C)C(=O)N 527a_100000733705_100103153847 [0,2,0,0,0,1|0,1,0]=4 647 B9R0.39 CCC(NC(=O)N)C(=O)C 1458a_100000203762_200000210301 [0,2,0,0,0,1|0,1,0]=4 648 B9R0.39 CCC(NC(=O)N)C(=O)[13CH3] 1458a_100000203762_200025704644 [0,2,0,0,0,1|0,1,0]=4 649 B9R0.4 CCNCC(=O)NC(=O)N 2230a_100015525214_100000182717 [0,3,0,0,0,0|0,1,0]=4 650 B9R0.4 CCSCC(=O)NC(=O)N 62a_100000210202_100000182717 [0,3,0,0,0,0|0,1,0]=4 651 B9R0.4 CNCCC(=O)NC(=O)N 2230a_106832991635_100000237605 [0,3,0,0,0,0|0,1,0]=4 652 B9R0.4 CNCCC(=O)NC(=O)N 7a_106832991635_100000237605 [0,3,0,0,0,0|0,1,0]=4 653 B9R0.4 CSCCC(=O)NC(=O)N 62a_200000210301_100000237605 [0,3,0,0,0,0|0,1,0]=4 654 B9R0.4 NC(=O)NC(=O)CSCF 62a_100015361967_100000182717 [0,3,0,0,0,0|0,1,0]=4 655 B9R0.4 [13CH3]SCCC(=O)NC(=O)N 62a_200025704644_100000237605 [0,3,0,0,0,0|0,1,0]=4 656 B9R1.35 CC(=O)C1CNC(=O)N1 1458a_100000033324_200000210301 [0,0,0,1,0,2|0,1,0]=4 657 B9R1.35 [13CH3]C(=O)C1CNC(=O)N1 1458a_100000033324_200025704644 [0,0,0,1,0,2|0,1,0]=4 658 B9R1.82 CNC(=O)[C@@H]1CC(=O)N1 527a_100102657272_100016090685 [0,1,0,1,0,1|0,1,0]=4 659 B9R1.22 CNC1CC(=O)NC1=O 2230a_100102712934_200000210301 [0,2,0,1,0,0|0,1,0]=4 660 B9R1.22 [13CH3]NC1CC(=O)NC1=O 2230a_100102712934_200025704644 [0,2,0,1,0,0|0,1,0]=4 661 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [0,0,0,0,0,3|0,1,0]=4 662 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [0,0,0,0,0,3|0,1,0]=4 663 B9R0.55 CC(=O)NCCNC(=O)N 240690a_100020590234_100015343762 [0,0,0,0,0,3|0,1,0]=4 664 B9R0.55 CC(=O)NCCNC(=O)N 527a_100020590234_100103153847 [0,0,0,0,0,3|0,1,0]=4