0 B8R0.6 C=CCCCC(=O)OC 6778AL [0,0,0,0,0,0|0,0,4]=4 1 B8R0.6 CCOCCC(=O)NN 2006AE [0,0,0,0,0,0|3,0,1]=4 2 B8R0.6 COC(=O)CCCCN 9801AB [0,0,0,0,0,0|1,0,2]=3 3 B8R0.6 COC(=O)CCCCO Z9406 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.1 CCCC\C=C\CO 9204AL [1,0,0,0,0,0|2,0,1]=4 5 B7R0.1 CCCNCCOC X4577 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.1 CC\C=C\CCCC 9221AL [1,0,0,0,0,0|1,0,1]=3 7 B7R0.1 C\C=C/CCCCC 7427AL [1,0,0,0,0,0|1,0,2]=4 8 B7R0.1 C\C=C\CCCCC 7960AF [1,0,0,0,0,0|1,0,2]=4 9 B7R0.3 C=C(CC)CCCC 5608AL [1,0,0,0,0,0|2,0,1]=4 10 B7R0.3 CCC\C=C(/C)CC 6104AL [1,0,0,0,0,0|2,0,1]=4 11 B7R0.3 CCNCC(=O)OC 2143AA [1,0,0,0,0,0|1,0,0]=2 12 B7R0.3 CCNCC(=O)OC 2988AC [1,0,0,0,0,0|1,0,0]=2 13 B7R0.3 CCOCC(=O)NN 2388AE [1,0,0,0,0,0|3,0,0]=4 14 B7R0.3 CNCCC(=O)NC 5845AE [1,0,0,0,0,0|2,0,1]=4 15 B7R0.3 COC(=N)CCCCl 2164AC [1,0,0,0,0,0|2,0,1]=4 16 B7R0.3 COC(=O)C#CCO 3414AB [1,0,0,0,0,0|1,0,2]=4 17 B7R0.3 COC(=O)CCC=O W3030 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.3 COC(=O)CCCS X9990 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.3 C\C=C\CC(=O)OC 9761AJ [1,0,0,0,0,0|0,0,0]=1 20 B7R0.4 C=C(C)CCCCC 5698AL [1,0,0,0,0,0|1,0,2]=4 21 B7R0.4 CCCSCC(=O)O 6980AD [1,0,0,0,0,0|1,0,1]=3 22 B7R0.4 CCOCCC(C)=O 6489AL [1,0,0,0,0,0|1,0,1]=3 23 B7R0.4 CCO\C=C\C(=O)Cl 6797AE [1,0,0,0,0,0|2,0,1]=4 24 B7R0.4 CC\C=C\CC(=O)O 7477AF [1,0,0,0,0,0|0,0,0]=1 25 B7R0.4 CNCCCC(=O)O 2115AA [1,0,0,0,0,0|1,0,2]=4 26 B9R0.1 COC(=O)CCNC(C)=O 3347AB [0,1,0,0,0,0|1,0,2]=4 27 B9R0.1 COC(=O)\C=C\CC(C)C 9254AE [0,1,0,0,0,0|0,0,2]=3 28 B9R0.5 CCCNCC(=O)OCC 0138AP [0,1,0,0,0,0|1,0,1]=3 29 B9R0.5 CCOC(=O)CNCCN V4614 [0,1,0,0,0,0|2,0,1]=4 30 B9R0.5 CCOC(=O)N\N=C\CBr 6834AE [0,1,0,0,0,0|3,0,0]=4 31 B9R0.34 CCOC(=O)CC(=O)CBr S244 [0,1,0,0,0,0|3,0,0]=4 32 B9R0.46 C=CCNCCC(=O)OC 1963AE [0,1,0,0,0,0|1,0,2]=4 33 B9R0.46 CCCNCCC(=O)NC 7922AC [0,1,0,0,0,0|1,0,2]=4 34 B9R0.46 CCCNCCC(=O)OC 4406AE [0,1,0,0,0,0|0,0,2]=3 35 B9R1.1 CCC1=CNC(=O)C=C1 7602AB [0,0,0,1,0,0|1,0,2]=4 36 B9R1.7 CCCC1CNC(=O)C1 2594AF [0,0,0,1,0,0|1,0,2]=4 37 B9R1.11 CNC(=O)C1CCCC1 3843AE [0,0,0,1,0,0|1,0,2]=4 38 B9R1.11 CNC(=O)C1CCNC1 7267AC [0,0,0,1,0,0|2,0,1]=4 39 B9R1.11 COC(=O)C1=CC=NS1 4171AJ [0,0,0,1,0,0|2,0,1]=4 40 B9R1.11 COC(=O)C1CCCC1 6360AB [0,0,0,1,0,0|0,0,2]=3 41 B9R1.11 COC(=O)C1CCCN1 7330AB [0,0,0,1,0,0|1,0,1]=3 42 B9R1.11 COC(=O)[C@@H]1CCNC1 5916AB [0,0,0,1,0,0|1,0,1]=3 43 B9R1.11 [C@H]1(C(=O)OC)CCNC1 0998AB [0,0,0,1,0,0|1,0,1]=3 44 B9R1.21 CCC1=CC=C(CC)O1 Z5436 [0,0,0,1,0,0|1,0,2]=4 45 B9R1.79 COC(=O)CC1CNC1 4710AC [0,0,0,1,0,0|1,0,2]=4 46 B6R0.6 CCC\C=C/CO 7423AL [2,0,0,0,0,0|1,0,1]=4 47 B6R0.6 CC\C=C\CCC 9219AL [2,0,0,0,0,0|0,0,1]=3 48 B6R0.6 C\C=C/CCCC 7422AL [2,0,0,0,0,0|1,0,1]=4 49 B6R0.6 C\C=C\CCCC 7780AF [2,0,0,0,0,0|1,0,1]=4 50 B6R0.1 C#CCC(=O)OC 3698AB [2,0,0,0,0,0|0,0,2]=4 51 B6R0.1 CC#CC(=O)OC X7106 [2,0,0,0,0,0|0,0,2]=4 52 B6R0.1 CCC(=O)CSC K829 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.1 CCCC(=O)SC 8847AJ [2,0,0,0,0,0|0,1,0]=3 54 B6R0.1 CNC(=O)CCN 4757AE [2,0,0,0,0,0|2,0,0]=4 55 B6R0.1 CNC(=O)CCO 8079AE [2,0,0,0,0,0|2,0,0]=4 56 B6R0.1 COC(=O)CCCl X6204 [2,0,0,0,0,0|1,0,0]=3 57 B6R0.1 COC(=O)\C=C\N 1217AQ [2,0,0,0,0,0|1,0,0]=3 58 B6R0.1 COCC(=O)OC J70196 [2,0,0,0,0,0|1,0,0]=3 59 B6R0.4 C=C(C)CCCC 5699AL [2,0,0,0,0,0|1,0,1]=4 60 B6R0.4 C=C\C=C\C(=O)O Z4964 [2,0,0,0,0,0|0,0,2]=4 61 B6R0.4 CCCC=C(C)C 5704AL [2,0,0,0,0,0|1,0,1]=4 62 B6R0.4 CCCCC(=O)Br 7391AF [2,0,0,0,0,0|1,0,1]=4 63 B6R0.4 CCNCC(=O)O X5133 [2,0,0,0,0,0|1,0,0]=3 64 B6R0.4 CNCCC(=O)O 5026AF [2,0,0,0,0,0|1,0,1]=4 65 B6R0.4 COCCC(C)=O B939 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.4 CSSCC(=O)O KMA0116 [2,0,0,0,0,0|2,0,0]=4 67 B6R0.4 C\C=C\CC(C)C 6798AL [2,0,0,0,0,0|1,0,1]=4 68 B6R0.4 O=C(O)CCCS 7264AF [2,0,0,0,0,0|1,0,1]=4 69 B8R0.4 CCC\C=C/CCCC 7450AL [1,1,0,0,0,0|1,0,1]=4 70 B8R0.4 CC\C=C/CCCCO 7454AL [1,1,0,0,0,0|1,0,1]=4 71 B8R0.3 C=CCC(N)C(=O)OC 4218AJ [1,1,0,0,0,0|0,0,2]=4 72 B8R0.3 C=CC[C@@H](N)C(=O)OC 1043AB [1,1,0,0,0,0|0,0,2]=4 73 B8R0.3 CCCC(N)C(=O)NC 1487AF [1,1,0,0,0,0|1,0,1]=4 74 B8R0.3 CNCC(C)C(=O)OC Z2743 [1,1,0,0,0,0|1,0,1]=4 75 B8R0.3 COC(=O)[C@H](C)NC=O 7006AH [1,1,0,0,0,0|2,0,0]=4 76 B8R0.8 CCCCC(=O)C(C)C 5543AA [1,1,0,0,0,0|1,0,1]=4 77 B8R0.9 CCC(=O)CCC(C)=O 8738AA [1,1,0,0,0,0|1,0,1]=4 78 B8R0.9 CCC(=O)CCC(C)C 7962AF [1,1,0,0,0,0|1,0,1]=4 79 B8R0.9 CCC(=O)COC(C)=O X5648 [1,1,0,0,0,0|2,0,0]=4 80 B8R0.9 COC(=O)CNC(C)=O 3516AL [1,1,0,0,0,0|1,0,0]=3 81 B8R0.9 COC(=O)\C=C/C(=O)O F587 [1,1,0,0,0,0|1,0,1]=4 82 B8R0.9 COC(=O)\C=C\C(C)=O 7011AL [1,1,0,0,0,0|0,0,1]=3 83 B8R0.19 CC[C@H](O)CC(=O)OC 5880AB [1,1,0,0,0,0|0,0,1]=3 84 B8R0.19 COC(=O)C[C@H](O)CO 5051AC [1,1,0,0,0,0|1,0,1]=4 85 B8R0.5 COCC(=O)CC(C)=O W7487 [1,1,0,0,0,0|1,0,1]=4 86 B8R0.28 CC(=O)CCOC(C)C 6552AL [1,1,0,0,0,0|1,0,1]=4 87 B8R0.28 CC(C)\C=C\CC(C)C 5417AL [1,1,0,0,0,0|1,0,1]=4 88 B10R0.3 CCOC(=O)CNCC(C)C 4002AJ [0,2,0,0,0,0|1,0,1]=4 89 B10R0.59 CCC(C)NCCC(=O)OC 7317AD [0,2,0,0,0,0|0,0,2]=4 90 B10R0.60 COC(=O)CCNC(C)(C)C 7318AD [0,2,0,0,0,0|1,0,1]=4 91 B10R0.82 COC(=O)CNC(=O)[C@H](C)N W6635 [0,2,0,0,0,0|1,0,0]=3 92 B10R0.1 CCCNCCC(=O)OCC 0093AE [0,2,0,0,0,0|0,0,2]=4 93 B10R0.2 CCOC(=O)CC(=O)COC 0252AC [0,2,0,0,0,0|1,0,0]=3 94 B10R0.19 CCO\C=C(/C)C(=O)OCC Z8291 [0,2,0,0,0,0|1,0,1]=4 95 B10R0.83 COC(=O)[C@H](N)CCCCN 9780AA [0,2,0,0,0,0|0,0,2]=4 96 B10R0.85 CCO\C=C(/C#N)C(=O)OC 9253AD [0,2,0,0,0,0|1,0,1]=4 97 B10R0.45 CCC(C=O)CCC(=O)OC 2820AJ [0,2,0,0,0,0|0,0,2]=4 98 B10R0.18 CCCCC(=O)CC(=O)OC 5240AB [0,2,0,0,0,0|0,0,1]=3 99 B10R0.18 COCCC(=O)CC(=O)OC 9413AB [0,2,0,0,0,0|0,0,1]=3 100 B10R0.74 CCC\C=C\COC(=O)CC 8877AL [0,2,0,0,0,0|1,0,0]=3 101 B10R0.74 CC\C=C/CCOC(=O)CC 3899AB [0,2,0,0,0,0|1,0,0]=3 102 B10R0.74 COC(=O)CCNCCCO 8073AC [0,2,0,0,0,0|0,0,2]=4 103 B10R0.74 COCCNCCC(=O)OC 5596AE [0,2,0,0,0,0|0,0,2]=4 104 B8R1.49 C1=CCCCCC=C1 7920AF [1,0,0,1,0,0|1,0,1]=4 105 B8R1.1 CCC1=NOC(N)=C1 2151AC [1,0,0,1,0,0|2,0,0]=4 106 B8R1.1 COC1=CC(=O)CC1 6398AB [1,0,0,1,0,0|2,0,0]=4 107 B8R1.3 CC1CNC(=O)CO1 6453AJ [1,0,0,1,0,0|2,0,0]=4 108 B8R1.38 COC(=O)C1CCN1 3825AJ [1,0,0,1,0,0|1,0,0]=3 109 B8R1.38 COC(=O)C1CCN1 6194AA [1,0,0,1,0,0|1,0,0]=3 110 B8R1.4 CC1CC(=O)CCN1 1072AC [1,0,0,1,0,0|1,0,1]=4 111 B8R1.4 CC1CC(=O)CCN1 6568AA [1,0,0,1,0,0|1,0,1]=4 112 B8R1.7 CC(=O)C1CCNC1 Y4441 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.7 NC(=O)[C@@H]1C=CCN1 5249AH [1,0,0,1,0,0|2,0,0]=4 114 B8R1.7 O=C(O)C1C=CCN1 0852AE [1,0,0,1,0,0|1,0,0]=3 115 B8R1.7 O=C(O)C1C=CCO1 1916AL [1,0,0,1,0,0|1,0,0]=3 116 B8R1.7 O=C(O)[C@@H]1CCCN1 2188AC [1,0,0,1,0,0|1,0,1]=4 117 B8R1.7 O=C(O)[C@H]1CCOC1 Z1983 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.34 O=C(O)C=C1CCC1 1680AJ [1,0,0,1,0,0|0,0,2]=4 119 B8R1.35 O=C(O)CNC1CC1 0701AA [1,0,0,1,0,0|1,0,1]=4 120 B10R1.14 COC(=O)C1CCC(N)C1 5832AA [0,1,0,1,0,0|0,0,2]=4 121 B10R1.14 COC(=O)N1CCC(=O)C1 0657AC [0,1,0,1,0,0|1,0,1]=4 122 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 Z2033 [0,1,0,1,0,0|0,0,0]=2 123 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 Z2034 [0,1,0,1,0,0|0,0,0]=2 124 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 1092AL [0,1,0,1,0,0|1,0,1]=4 125 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 Z2027 [0,1,0,1,0,0|0,0,0]=2 126 B10R1.153 COC(=O)CCNC1CC1 6994AJ [0,1,0,1,0,0|0,0,2]=4 127 B10R1.11 CCOC(=O)C1CCCO1 M425 [0,1,0,1,0,0|1,0,1]=4 128 B10R1.11 CCOC(=O)C1CCOC1 6739AA [0,1,0,1,0,0|1,0,1]=4 129 B10R1.137 CCOC(=O)CC1CCC1 4959AB [0,1,0,1,0,0|0,0,2]=4 130 B10R1.138 CCOC(=O)C=CC1CC1 1199AQ [0,1,0,1,0,0|0,0,2]=4 131 B10R1.15 COC(=O)C1=CCCCO1 5478AA [0,1,0,1,0,0|0,0,2]=4 132 B10R1.15 COC(=O)C1CC=CCC1 9933AB [0,1,0,1,0,0|0,0,0]=2 133 B10R1.15 COC(=O)C1CNCCN1 W5066 [0,1,0,1,0,0|1,0,1]=4 134 B10R1.15 COC(=O)C1CNCCO1 Y1211 [0,1,0,1,0,0|1,0,1]=4 135 B10R1.15 COC(=O)N1C=CC=CC1 3960AB [0,1,0,1,0,0|0,0,2]=4 136 B10R1.15 COC(=O)[C@@H]1COCCN1 0961AA [0,1,0,1,0,0|1,0,1]=4 137 B10R1.15 COC(=O)[C@H]1CNCCN1 W7554 [0,1,0,1,0,0|1,0,1]=4 138 B10R1.15 COC(=O)[C@H]1COCCN1 3118AA [0,1,0,1,0,0|1,0,1]=4 139 B10R1.411 COC(=O)C1(C)CCCN1 4594AE [0,1,0,1,0,0|1,0,1]=4 140 B10R1.411 COC(=O)C1(C)CCCO1 6969AJ [0,1,0,1,0,0|1,0,1]=4 141 B10R1.151 COC(=O)CCN1CCC1 4362AE [0,1,0,1,0,0|0,0,2]=4 142 B10R1.27 COC(=O)C[C@@H]1CCCN1 W6819 [0,1,0,1,0,0|0,0,2]=4 143 B10R1.27 COC(=O)C[C@H]1CCCN1 5980AA [0,1,0,1,0,0|0,0,2]=4 144 B10R1.149 COC(=O)C1CCNC1=O Z4428 [0,1,0,1,0,0|1,0,0]=3 145 B10R1.149 COC(=O)C1SCCC1=O 2452AB [0,1,0,1,0,0|1,0,1]=4 146 B10R1.149 COC(=O)[C@@H]1CCCN1C 0671AP [0,1,0,1,0,0|0,0,2]=4 147 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N 7134AJ [0,1,0,1,0,0|0,0,2]=4 148 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C 1439AA [0,1,0,1,0,0|0,0,2]=4 149 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O 1084AL [0,1,0,1,0,0|1,0,1]=4 150 B10R2.2 O=C1C[C@@H]2C=CC[C@@H]2O1 5961AB [0,0,0,2,0,0|0,0,2]=4 151 B10R2.2 [C@@H]12CCC=C1CC(=O)O2 Y8486 [0,0,0,2,0,0|0,0,0]=2