0 B10R0.71 C/C=C/C=C/COCCCC 34a_100016283227_100000210210 [0,0,0,0,0,0|2,0,1]=3 1 B10R0.71 C/C=C/C=C/COCCCF 34a_100016283227_100011934791 [0,0,0,0,0,0|3,0,1]=4 2 B10R0.71 C/C=C/C=C/COCCCO 34a_100016283227_100000230001 [0,0,0,0,0,0|3,0,1]=4 3 B10R0.71 C/C=C/C=C/COCCOC 34a_100016283227_100011201679 [0,0,0,0,0,0|3,0,1]=4 4 B10R0.71 C/C=C/C=C/COCCSC 34a_100016283227_100000212216 [0,0,0,0,0,0|3,0,1]=4 5 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [0,0,0,0,0,0|2,0,2]=4 10 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [0,0,0,0,0,0|2,0,2]=4 12 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [0,0,0,0,0,0|2,0,2]=4 13 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [0,0,0,0,0,0|2,0,2]=4 14 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [0,0,0,0,0,0|2,0,2]=4 15 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [0,0,0,0,0,0|2,0,2]=4 16 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [0,0,0,0,0,0|2,0,2]=4 17 B10R0.71 CC=CC=CC=NNCCC 4a_100000740057_100000691131 [0,0,0,0,0,0|3,0,0]=3 18 B10R0.71 CC=CC=CC=NNCCO 4a_100000210001_100000691131 [0,0,0,0,0,0|4,0,0]=4 19 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [0,0,0,0,0,0|2,0,2]=4 21 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [0,0,0,0,0,0|2,0,2]=4 22 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [0,0,0,0,0,0|2,0,2]=4 23 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [0,0,0,0,0,0|2,0,2]=4 24 B10R0.71 CCC=CC=NNCCCC 4a_100025702795_100011216943 [0,0,0,0,0,0|3,0,1]=4 25 B10R0.71 CCCC/C=C/COCC=O 34a_200016272032_200009817547 [0,0,0,0,0,0|1,0,3]=4 26 B10R0.71 CCCC/C=C/COCC=O 7a_200016272032_200015260668 [0,0,0,0,0,0|1,0,3]=4 27 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [0,0,0,0,0,0|2,0,2]=4 28 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [0,0,0,0,0,0|2,0,2]=4 29 B10R0.71 CCCCC/C=C/COCF 34a_100016258190_100015361967 [0,0,0,0,0,0|2,0,2]=4 30 B10R0.71 CCCCC/C=C/COCF 7a_100016258190_100015361967 [0,0,0,0,0,0|2,0,2]=4 31 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [0,0,0,0,0,0|2,0,2]=4 32 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [0,0,0,0,0,0|2,0,2]=4 33 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [0,0,0,0,0,0|2,0,2]=4 34 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [0,0,0,0,0,0|2,0,2]=4 35 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [0,0,0,0,0,0|2,0,2]=4 36 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [0,0,0,0,0,0|2,0,2]=4 37 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [0,0,0,0,0,0|2,0,2]=4 38 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [0,0,0,0,0,0|2,0,2]=4 39 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [0,0,0,0,0,0|1,0,3]=4 40 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [0,0,0,0,0,0|1,0,3]=4 41 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [0,0,0,0,0,0|1,0,3]=4 42 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [0,0,0,0,0,0|1,0,3]=4 43 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [0,0,0,0,0,0|1,0,3]=4 44 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [0,0,0,0,0,0|1,0,3]=4 45 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [0,0,0,0,0,0|1,0,3]=4 46 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [0,0,0,0,0,0|1,0,3]=4 47 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [0,0,0,0,0,0|1,0,3]=4 48 B9R0.45 C/C=C/C=C/COCCC 34a_100016283227_100000210303 [1,0,0,0,0,0|1,0,1]=3 49 B9R0.45 C/C=C/C=C/COCCF 34a_100016283227_100011217306 [1,0,0,0,0,0|2,0,1]=4 50 B9R0.45 C/C=C/C=C/COCCO 34a_100016283227_100000211926 [1,0,0,0,0,0|2,0,1]=4 51 B9R0.45 C/C=C/C=C/COCSC 34a_100016283227_100011218213 [1,0,0,0,0,0|2,0,1]=4 52 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [1,0,0,0,0,0|1,0,2]=4 53 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [1,0,0,0,0,0|1,0,2]=4 54 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [1,0,0,0,0,0|1,0,2]=4 55 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [1,0,0,0,0,0|1,0,2]=4 56 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [1,0,0,0,0,0|1,0,2]=4 57 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [1,0,0,0,0,0|1,0,2]=4 58 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [1,0,0,0,0,0|1,0,2]=4 59 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [1,0,0,0,0,0|1,0,2]=4 60 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [1,0,0,0,0,0|1,0,2]=4 61 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [1,0,0,0,0,0|1,0,2]=4 62 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [1,0,0,0,0,0|1,0,2]=4 63 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [1,0,0,0,0,0|1,0,2]=4 64 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [1,0,0,0,0,0|1,0,2]=4 65 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [1,0,0,0,0,0|1,0,2]=4 66 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [1,0,0,0,0,0|1,0,2]=4 67 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [1,0,0,0,0,0|1,0,2]=4 68 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [1,0,0,0,0,0|1,0,2]=4 69 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [1,0,0,0,0,0|1,0,2]=4 70 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [1,0,0,0,0,0|1,0,2]=4 71 B9R0.45 CC=CC=CC=NNCC 4a_100000756455_100000691131 [1,0,0,0,0,0|3,0,0]=4 72 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [1,0,0,0,0,0|1,0,2]=4 73 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [1,0,0,0,0,0|1,0,2]=4 74 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [1,0,0,0,0,0|1,0,2]=4 75 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [1,0,0,0,0,0|1,0,2]=4 76 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [1,0,0,0,0,0|1,0,2]=4 77 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [1,0,0,0,0,0|1,0,2]=4 78 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [1,0,0,0,0,0|1,0,2]=4 79 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [1,0,0,0,0,0|1,0,2]=4 80 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [1,0,0,0,0,0|1,0,2]=4 81 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [1,0,0,0,0,0|1,0,2]=4 82 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [1,0,0,0,0,0|1,0,2]=4 83 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [1,0,0,0,0,0|1,0,2]=4 84 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [1,0,0,0,0,0|1,0,2]=4 85 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [1,0,0,0,0,0|1,0,2]=4 86 B11R0.3 C/C=C/C=C/COCCCCC 34a_100016283227_100000718602 [0,1,0,0,0,0|1,0,1]=3 87 B11R0.3 C/C=C/C=C/COCCCCF 34a_100016283227_100000729493 [0,1,0,0,0,0|2,0,1]=4 88 B11R0.3 C/C=C/C=C/COCCCCO 34a_100016283227_100011216708 [0,1,0,0,0,0|2,0,1]=4 89 B11R0.3 C/C=C/C=C/COCCCOC 34a_100016283227_100000740836 [0,1,0,0,0,0|2,0,1]=4 90 B11R0.3 C/C=C/C=C/COCCOCC 34a_100016283227_100000210147 [0,1,0,0,0,0|2,0,1]=4 91 B11R0.3 C/C=C/C=C/COCCSCC 34a_100016283227_100000757381 [0,1,0,0,0,0|2,0,1]=4 92 B11R0.3 C=CCOC/C=C/CCCCC 34a_100016258190_100015514636 [0,1,0,0,0,0|1,0,2]=4 93 B11R0.3 C=CCOC/C=C/CCCCC 7a_100016258190_100015514636 [0,1,0,0,0,0|1,0,2]=4 94 B11R0.3 CC/C=C/C/C=C/CCOCC 34a_200016273837_100000210202 [0,1,0,0,0,0|2,0,1]=4 95 B11R0.3 CC/C=C/C/C=C/CCOCC 7a_200016273837_100000210202 [0,1,0,0,0,0|2,0,1]=4 96 B11R0.3 CC=CC=CC=NNCCCC 4a_100025702795_100000691131 [0,1,0,0,0,0|2,0,0]=3 97 B11R0.3 CCC/C=C/C=C/COCCC 34a_100016294078_100000210303 [0,1,0,0,0,0|2,0,1]=4 98 B11R0.3 CCC=CC=CC=NNCCC 4a_100000740057_100103038579 [0,1,0,0,0,0|3,0,0]=4 99 B11R0.3 CCC=CC=NNCCCCC 4a_100000694160_100011216943 [0,1,0,0,0,0|2,0,1]=4 100 B11R0.3 CCCCC/C=C/C=C/COC 34a_200014065772_200000210301 [0,1,0,0,0,0|0,0,2]=3 101 B11R0.3 CCCCC/C=C/C=C/COC 7a_200014065772_200000210301 [0,1,0,0,0,0|0,0,2]=3 102 B11R0.3 CCCCC/C=C/C=C/CO[13CH3] 34a_200014065772_200025704644 [0,1,0,0,0,0|0,0,2]=3 103 B11R0.3 CCCCC/C=C/C=C/CO[13CH3] 7a_200014065772_200025704644 [0,1,0,0,0,0|0,0,2]=3 104 B11R0.3 CCCCC/C=C/COCC=O 34a_100016258190_200009817547 [0,1,0,0,0,0|0,0,2]=3 105 B11R0.3 CCCCC/C=C/COCC=O 7a_100016258190_200015260668 [0,1,0,0,0,0|0,0,2]=3 106 B11R0.3 CCCCCC=CC=NNCC 4a_100000756455_100016268540 [0,1,0,0,0,0|2,0,1]=4 107 B11R0.4 C#CCC(=O)C=CCCCCC 1458a_100016263427_100000184674 [0,1,0,0,0,0|1,0,2]=4 108 B11R0.4 C/C=C/C=C/COC(C)CCC 34a_100016283227_100000766640 [0,1,0,0,0,0|2,0,1]=4 109 B11R0.4 C=CCC(=O)C=CCCCCC 1458a_100016263427_100000210623 [0,1,0,0,0,0|1,0,1]=3 110 B11R0.4 CC=CC(=NNCCCCC)C 4a_100000694160_100011218416 [0,1,0,0,0,0|3,0,0]=4 111 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [0,1,0,0,0,0|1,0,2]=4 112 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [0,1,0,0,0,0|2,0,1]=4 113 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [0,1,0,0,0,0|2,0,1]=4 114 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [0,1,0,0,0,0|2,0,1]=4 115 B11R0.4 CC=CC(=O)NNCCCCC 22a_100000694160_100000210699 [0,1,0,0,0,0|3,0,0]=4 116 B11R0.4 CCCCCC=CC(=O)CC#N 1458a_100016263427_100011214920 [0,1,0,0,0,0|1,0,2]=4 117 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [0,1,0,0,0,0|1,0,2]=4 118 B11R0.4 CCCCCC=CC(=O)CCF 1458a_100016263427_100011217306 [0,1,0,0,0,0|1,0,2]=4 119 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [0,1,0,0,0,0|0,0,3]=4 120 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [0,1,0,0,0,0|2,0,1]=4 121 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [0,1,0,0,0,0|2,0,1]=4 122 B11R0.4 CCCCCC=CC(=O)NNC 22a_100016993582_100016263427 [0,1,0,0,0,0|3,0,0]=4 123 B11R0.4 CCCCCCCC(=O)C=CBr 1458a_100016273825_100000210614 [0,1,0,0,0,0|1,0,2]=4 124 B11R0.4 CCCCCCCC(=O)C=CCl 1458a_200016279998_100000210614 [0,1,0,0,0,0|1,0,2]=4 125 B11R0.4 CCCCCCCC(=O)C=CI 1458a_100016256311_100000210614 [0,1,0,0,0,0|1,0,2]=4 126 B11R0.4 CCCCCCNC(=O)C=CBr 1626a_100000210581_100016273825 [0,1,0,0,0,0|2,0,1]=4 127 B11R0.4 CCCCCCNC(=O)C=CBr 240690a_100000210581_100016273825 [0,1,0,0,0,0|2,0,1]=4 128 B11R0.4 CCCCCCNC(=O)C=CCl 11a_100000210581_200016279998 [0,1,0,0,0,0|2,0,1]=4 129 B11R0.4 CCCCCCNC(=O)C=CCl 1626a_100000210581_200016279998 [0,1,0,0,0,0|2,0,1]=4 130 B11R0.4 CCCCCCNC(=O)C=CCl 240690a_100000210581_200016279998 [0,1,0,0,0,0|2,0,1]=4 131 B11R0.4 CCCCCCNC(=O)C=CI 1626a_100000210581_100016256311 [0,1,0,0,0,0|2,0,1]=4 132 B11R0.40 C/C=C(\C)/C=NNCCCCC 4a_100000694160_100020587592 [0,1,0,0,0,0|3,0,0]=4 133 B11R0.40 C/C=C/C=C/COCC(C)CC 34a_100016283227_100000748023 [0,1,0,0,0,0|2,0,1]=4 134 B11R0.40 C/C=C/C=C/COCC(O)CC 34a_100016283227_100011218378 [0,1,0,0,0,0|2,0,1]=4 135 B11R0.40 C/C=C/C=C/COC[C@@H](C)CC 34a_100016283227_100009816398 [0,1,0,0,0,0|2,0,1]=4 136 B11R0.40 CC=CC=CC=NNC(C)CC 4a_100000718999_100000691131 [0,1,0,0,0,0|3,0,0]=4 137 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [0,1,0,0,0,0|1,0,2]=4 138 B11R0.40 CCCCC/C=C/CC(=O)CF 1458a_100020675968_100015361967 [0,1,0,0,0,0|1,0,2]=4 139 B11R0.40 CCCCC/C=C/CC(=O)NC 11a_106832991635_100020675968 [0,1,0,0,0,0|2,0,1]=4 140 B11R0.40 CCCCC/C=C/CC(=O)NC 1626a_100102657272_100020675968 [0,1,0,0,0,0|2,0,1]=4 141 B11R0.40 CCCCC/C=C/CC(=O)NC 240690a_100102657272_100020675968 [0,1,0,0,0,0|2,0,1]=4 142 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [0,1,0,0,0,0|1,0,2]=4 143 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [0,1,0,0,0,0|1,0,2]=4 144 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [0,1,0,0,0,0|2,0,1]=4 145 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [0,1,0,0,0,0|2,0,1]=4 146 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [0,1,0,0,0,0|2,0,1]=4 147 B11R0.40 CCCCCNN=C/C(=C\N)/C 4a_100000694160_100050415766 [0,1,0,0,0,0|3,0,0]=4 148 B11R0.81 C/C=C/CC(=O)C=CCCCC 1458a_100016266645_100102629194 [0,1,0,0,0,0|1,0,2]=4 149 B11R0.81 C/C=C/CC(=O)CCCCCC 1458a_100102632555_100102629194 [0,1,0,0,0,0|1,0,2]=4 150 B11R0.81 C=CC=CC(=O)CCCCCC 1458a_100016291481_100000210757 [0,1,0,0,0,0|1,0,1]=3 151 B11R0.81 C=CC=CC(=O)CCCCCF 1458a_100016291481_100000729378 [0,1,0,0,0,0|2,0,1]=4 152 B11R0.81 C=CC=CC(=O)CCCCCO 1458a_100016291481_100000746330 [0,1,0,0,0,0|2,0,1]=4 153 B11R0.81 C=CC=CC(=O)CCCCOC 1458a_100016291481_100000755781 [0,1,0,0,0,0|2,0,1]=4 154 B11R0.81 C=CC=CC(=O)CCCOCC 1458a_100016291481_100012232248 [0,1,0,0,0,0|2,0,1]=4 155 B11R0.81 C=CC=CC(=O)CCOCCC 1458a_100016291481_100011215938 [0,1,0,0,0,0|2,0,1]=4 156 B11R0.81 C=CC=CC(=O)COCCCC 1458a_100016291481_100011995733 [0,1,0,0,0,0|2,0,1]=4 157 B11R0.81 C=CC=CC(=O)NCCCCC 1626a_100000209983_100016291481 [0,1,0,0,0,0|2,0,0]=3 158 B11R0.81 C=CC=CC(=O)NCCCOC 1626a_100150723488_100016291481 [0,1,0,0,0,0|3,0,0]=4 159 B11R0.81 C=CC=CC(=O)NCCCSC 1626a_100000749238_100016291481 [0,1,0,0,0,0|3,0,0]=4 160 B11R0.81 C=CC=CC(=O)NCCOCC 1626a_102516460346_100016291481 [0,1,0,0,0,0|3,0,0]=4 161 B11R0.81 C=CC=CC(=O)NCCSCC 1626a_100000106463_100016291481 [0,1,0,0,0,0|3,0,0]=4 162 B11R0.81 C=CC=CC(=O)NNCCCC 22a_100025702795_100016291481 [0,1,0,0,0,0|3,0,0]=4 163 B11R0.81 CC=CCC(=O)C=CCCCC 1458a_100016266645_100000070051 [0,1,0,0,0,0|1,0,2]=4 164 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100102632555_100000070051 [0,1,0,0,0,0|1,0,2]=4 165 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100121576822_100000210757 [0,1,0,0,0,0|1,0,2]=4 166 B11R0.81 CC=CCC(=O)NCCCCC 11a_100000209983_100121576822 [0,1,0,0,0,0|2,0,1]=4 167 B11R0.81 CC=CCC(=O)NCCCCC 1626a_100000209983_100121576822 [0,1,0,0,0,0|2,0,1]=4 168 B11R0.81 CC=CCC(=O)NCCCCC 240690a_100000209983_100121576822 [0,1,0,0,0,0|2,0,1]=4 169 B11R0.81 CC=CCC(=O)NCCCCC 527a_100000209983_100121576822 [0,1,0,0,0,0|2,0,1]=4 170 B11R0.81 CCC=CC(=O)CCCCCC 1458a_100000212282_100000210757 [0,1,0,0,0,0|1,0,2]=4 171 B11R0.81 CCC=CC(=O)NCCCCC 11a_100000209983_100000212282 [0,1,0,0,0,0|2,0,1]=4 172 B11R0.81 CCC=CC(=O)NCCCCC 1626a_100000209983_100000212282 [0,1,0,0,0,0|2,0,1]=4 173 B11R0.81 CCC=CC(=O)NCCCCC 240690a_100000209983_100000212282 [0,1,0,0,0,0|2,0,1]=4 174 B11R0.81 CCCCCCC(=O)C=COC 1458a_100016268678_100000210757 [0,1,0,0,0,0|2,0,1]=4 175 B11R0.81 CCCCCNC(=O)C=COC 1626a_100000209983_100016268678 [0,1,0,0,0,0|3,0,0]=4 176 B11R0.81 CCCCCNC(=O)C=COC 240690a_100000209983_100016268678 [0,1,0,0,0,0|3,0,0]=4 177 B11R0.140 C#CCCCC(=O)C=C/C=C/C 1458a_100000185730_100000731252 [0,1,0,0,0,0|1,0,2]=4 178 B11R0.140 C/C=C/C=CC(=NNCCC)C 4a_100000740057_100016268696 [0,1,0,0,0,0|3,0,0]=4 179 B11R0.140 C/C=C/C=CC(=O)C/C=C\CC 1458a_100000185730_100103147603 [0,1,0,0,0,0|1,0,2]=4 180 B11R0.140 C/C=C/C=CC(=O)CC#CCC 1458a_100000185730_100009813939 [0,1,0,0,0,0|1,0,2]=4 181 B11R0.140 C/C=C/C=CC(=O)CCCC#N 1458a_100000185730_100000211468 [0,1,0,0,0,0|2,0,1]=4 182 B11R0.140 C/C=C/C=CC(=O)CCCCC 1458a_100000185730_100000210326 [0,1,0,0,0,0|1,0,0]=2 183 B11R0.140 C/C=C/C=CC(=O)CCCCF 1458a_100000185730_100000729493 [0,1,0,0,0,0|2,0,0]=3 184 B11R0.140 C/C=C/C=CC(=O)CCCCO 1458a_100000185730_100000210776 [0,1,0,0,0,0|2,0,0]=3 185 B11R0.140 C/C=C/C=CC(=O)CCCOC 1458a_100000185730_100000740836 [0,1,0,0,0,0|2,0,0]=3 186 B11R0.140 C/C=C/C=CC(=O)CCOCC 1458a_100000185730_100011215890 [0,1,0,0,0,0|2,0,0]=3 187 B11R0.140 C/C=C/C=CC(=O)CCSCC 1458a_100000185730_100000757381 [0,1,0,0,0,0|2,0,0]=3 188 B11R0.140 C/C=C/C=CC(=O)NCCCC 11a_100000102301_100000185730 [0,1,0,0,0,0|2,0,0]=3 189 B11R0.140 C/C=C/C=CC(=O)NCCCC 1626a_100000102301_100000185730 [0,1,0,0,0,0|2,0,0]=3 190 B11R0.140 C/C=C/C=CC(=O)NCCCC 240690a_100000102301_100000185730 [0,1,0,0,0,0|2,0,0]=3 191 B11R0.140 C/C=C/C=CC(=O)NCCCF 11a_100015189416_100000185730 [0,1,0,0,0,0|3,0,0]=4 192 B11R0.140 C/C=C/C=CC(=O)NCCCF 1626a_100015189416_100000185730 [0,1,0,0,0,0|3,0,0]=4 193 B11R0.140 C/C=C/C=CC(=O)NCCCF 240690a_100015189416_100000185730 [0,1,0,0,0,0|3,0,0]=4 194 B11R0.140 C/C=C/C=CC(=O)NCCCO 240690a_100000182051_100000185730 [0,1,0,0,0,0|3,0,0]=4 195 B11R0.140 C/C=C/C=CC(=O)NCCOC 1626a_100000209980_100000185730 [0,1,0,0,0,0|3,0,0]=4 196 B11R0.140 C/C=C/C=CC(=O)NCCOC 240690a_100000209980_100000185730 [0,1,0,0,0,0|3,0,0]=4 197 B11R0.140 C/C=C/C=CC(=O)NCCSC 11a_100020590264_100000185730 [0,1,0,0,0,0|3,0,0]=4 198 B11R0.140 C/C=C/C=CC(=O)NCCSC 1626a_100020590264_100000185730 [0,1,0,0,0,0|3,0,0]=4 199 B11R0.140 C/C=C/C=CC(=O)NCCSC 240690a_100020590264_100000185730 [0,1,0,0,0,0|3,0,0]=4 200 B11R0.140 C/C=C/C=CC(=O)NNCCC 22a_100000740057_100000185730 [0,1,0,0,0,0|3,0,0]=4 201 B11R0.140 C=CCCCC(=O)C=C/C=C/C 1458a_100000185730_100000757094 [0,1,0,0,0,0|1,0,2]=4 202 B11R0.140 CC/C=C/CC(=O)CCCCC 1458a_100016274230_100000210326 [0,1,0,0,0,0|1,0,2]=4 203 B11R0.140 CC/C=C\CC(=O)CCCCC 1458a_100000212188_100103147603 [0,1,0,0,0,0|1,0,2]=4 204 B11R0.140 CCCC=CC(=O)CCCCC 1458a_100000212230_100000210326 [0,1,0,0,0,0|1,0,2]=4 205 B11R0.140 CCCCCC(=O)C=CCOC 1458a_100016285016_100000210326 [0,1,0,0,0,0|2,0,1]=4 206 B11R0.140 CCCCCC(=O)C=COCC 1458a_100016266692_100000210326 [0,1,0,0,0,0|2,0,1]=4 207 B11R0.140 CCCCCC(=O)CSCC=O 62a_200012276598_200015260668 [0,1,0,0,0,0|1,0,2]=4 208 B11R0.140 CCCCCC(=O)CSCC=O 62a_200015260668_200012276598 [0,1,0,0,0,0|1,0,2]=4 209 B11R0.148 C/C=C/C=C/COCCC(C)C 34a_100016283227_100000210312 [0,1,0,0,0,0|2,0,1]=4 210 B11R0.148 C/C=C/C=C/COCCC(C)O 34a_100016283227_100012276601 [0,1,0,0,0,0|2,0,1]=4 211 B11R0.148 CC=CC=CC=NNCC(C)O 4a_200000730056_100000691131 [0,1,0,0,0,0|3,0,0]=4 212 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [0,1,0,0,0,0|0,0,2]=3 213 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [0,1,0,0,0,0|0,0,2]=3 214 B11R0.148 CCCCC=CC=NNC(=O)C 4a_100000189765_100016268198 [0,1,0,0,0,0|2,0,1]=4 215 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [0,1,0,0,0,0|0,0,2]=3 216 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [0,1,0,0,0,0|0,0,2]=3 217 B11R0.148 CCCCCCC=NNC(=O)C 4a_100000189765_100000234349 [0,1,0,0,0,0|2,0,1]=4 218 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [0,1,0,0,0,0|0,0,2]=3 219 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [0,1,0,0,0,0|0,0,2]=3 220 B11R0.148 CCCCCNN=CC=C(C)C 4a_100000694160_100011215525 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.4 CCCCC=Cc1c[nH]cn1 271570a_100016275911_100000756875 [0,0,0,1,0,0|2,0,1]=4 222 B11R1.4 CCCCC=Cc1cc[nH]n1 271570a_100016275911_100000062575 [0,0,0,1,0,0|2,0,1]=4 223 B11R1.4 CCCCC=Cc1ccco1 271570a_100016275911_100009814098 [0,0,0,1,0,0|0,0,2]=3 224 B11R1.4 CCCCC=Cc1cccs1 271570a_100016275911_100011215356 [0,0,0,1,0,0|0,1,1]=3 225 B11R1.4 CCCCC=Cc1ccoc1 271570a_100016275911_100011215275 [0,0,0,1,0,0|2,0,1]=4 226 B11R1.4 CCCCC=Cc1ccsc1 271570a_100016275911_100000738268 [0,0,0,1,0,0|2,0,1]=4 227 B11R1.4 CCCCC=Cc1ccsn1 271570a_100016275911_100009818082 [0,0,0,1,0,0|2,0,1]=4 228 B11R1.4 CCCCC=Cc1cnco1 271570a_100016275911_100020591547 [0,0,0,1,0,0|1,0,2]=4 229 B11R1.4 CCCCC=Cc1cncs1 271570a_100016275911_100011934649 [0,0,0,1,0,0|1,1,1]=4 230 B11R1.4 CCCCC=Cc1cscn1 271570a_100016275911_100000751502 [0,0,0,1,0,0|2,0,1]=4 231 B11R1.4 CCCCC=Cc1ncc[nH]1 271570a_100016275911_100025796157 [0,0,0,1,0,0|2,0,1]=4 232 B11R1.4 CCCCC=Cc1ncco1 271570a_100016275911_100011787736 [0,0,0,1,0,0|1,0,2]=4 233 B11R1.4 CCCCC=Cc1nccs1 271570a_100016275911_100000211983 [0,0,0,1,0,0|1,1,1]=4 234 B11R1.4 CCCCCOc1ccsc1 34a_100000106738_100000718602 [0,0,0,1,0,0|3,0,0]=4 235 B11R1.4 CCCCCOc1ccsc1 7a_100000106738_100000210326 [0,0,0,1,0,0|3,0,0]=4 236 B11R1.4 CCCCCSc1c[nH]cn1 62a_100000210326_100000756875 [0,0,0,1,0,0|3,0,0]=4 237 B11R1.4 CCCCCSc1c[nH]cn1 62a_100000756875_100000210326 [0,0,0,1,0,0|3,0,0]=4 238 B11R1.4 CCCCCSc1cc[nH]n1 62a_100000062575_100000210326 [0,0,0,1,0,0|3,0,0]=4 239 B11R1.4 CCCCCSc1cc[nH]n1 62a_100000210326_100000062575 [0,0,0,1,0,0|3,0,0]=4 240 B11R1.4 CCCCCSc1ccco1 62a_100000210326_100009814098 [0,0,0,1,0,0|1,0,1]=3 241 B11R1.4 CCCCCSc1ccco1 62a_100009814098_100000210326 [0,0,0,1,0,0|1,0,1]=3 242 B11R1.4 CCCCCSc1cccs1 62a_100000210326_100011215356 [0,0,0,1,0,0|1,1,0]=3 243 B11R1.4 CCCCCSc1cccs1 62a_100011215356_100000210326 [0,0,0,1,0,0|1,1,0]=3 244 B11R1.4 CCCCCSc1ccoc1 62a_100000210326_100011215275 [0,0,0,1,0,0|3,0,0]=4 245 B11R1.4 CCCCCSc1ccoc1 62a_100011215275_100000210326 [0,0,0,1,0,0|3,0,0]=4 246 B11R1.4 CCCCCSc1ccon1 62a_100000210326_100009818083 [0,0,0,1,0,0|3,0,0]=4 247 B11R1.4 CCCCCSc1ccon1 62a_100009818083_100000210326 [0,0,0,1,0,0|3,0,0]=4 248 B11R1.4 CCCCCSc1ccsc1 62a_100000210326_100000738268 [0,0,0,1,0,0|3,0,0]=4 249 B11R1.4 CCCCCSc1ccsc1 62a_100000738268_100000210326 [0,0,0,1,0,0|3,0,0]=4 250 B11R1.4 CCCCCSc1ccsn1 62a_100000210326_100009818082 [0,0,0,1,0,0|3,0,0]=4 251 B11R1.4 CCCCCSc1ccsn1 62a_100009818082_100000210326 [0,0,0,1,0,0|3,0,0]=4 252 B11R1.4 CCCCCSc1cnco1 62a_100000210326_100020591547 [0,0,0,1,0,0|2,0,1]=4 253 B11R1.4 CCCCCSc1cnco1 62a_100020591547_100000210326 [0,0,0,1,0,0|2,0,1]=4 254 B11R1.4 CCCCCSc1cncs1 62a_100000210326_100011934649 [0,0,0,1,0,0|2,1,0]=4 255 B11R1.4 CCCCCSc1cncs1 62a_100011934649_100000210326 [0,0,0,1,0,0|2,1,0]=4 256 B11R1.4 CCCCCSc1cscn1 62a_100000210326_100000751502 [0,0,0,1,0,0|3,0,0]=4 257 B11R1.4 CCCCCSc1cscn1 62a_100000751502_100000210326 [0,0,0,1,0,0|3,0,0]=4 258 B11R1.4 CCCCCSc1ncc[nH]1 62a_100000210326_100025796157 [0,0,0,1,0,0|3,0,0]=4 259 B11R1.4 CCCCCSc1ncc[nH]1 62a_100025796157_100000210326 [0,0,0,1,0,0|3,0,0]=4 260 B11R1.4 CCCCCSc1ncco1 62a_100000210326_100011787736 [0,0,0,1,0,0|2,0,1]=4 261 B11R1.4 CCCCCSc1ncco1 62a_100011787736_100000210326 [0,0,0,1,0,0|2,0,1]=4 262 B11R1.4 CCCCCSc1nccs1 62a_100000210326_100000211983 [0,0,0,1,0,0|2,1,0]=4 263 B11R1.4 CCCCCSc1nccs1 62a_100000211983_100000210326 [0,0,0,1,0,0|2,1,0]=4 264 B11R1.4 CCCCNCc1ccco1 207a_100000102301_100000186105 [0,0,0,1,0,0|1,0,2]=4 265 B11R1.4 CCCCNCc1ccco1 2230a_100000185738_100000210211 [0,0,0,1,0,0|1,0,2]=4 266 B11R1.4 CCCCNCc1ccco1 270004a_100000102301_100000186105 [0,0,0,1,0,0|1,0,2]=4 267 B11R1.4 CCCCNCc1ccco1 34a_100000185738_100000210210 [0,0,0,1,0,0|1,0,2]=4 268 B11R1.4 CCCCNCc1cccs1 207a_100000102301_100000209959 [0,0,0,1,0,0|1,1,1]=4 269 B11R1.4 CCCCNCc1cccs1 2230a_100000211653_100000210211 [0,0,0,1,0,0|1,1,1]=4 270 B11R1.4 CCCCNCc1cccs1 270004a_100000102301_100000209959 [0,0,0,1,0,0|1,1,1]=4 271 B11R1.4 CCCCOCc1ccco1 34a_100000210059_100000210210 [0,0,0,1,0,0|1,0,2]=4 272 B11R1.4 CCCCOCc1cccs1 34a_100000211240_100000210210 [0,0,0,1,0,0|1,1,1]=4 273 B11R1.4 CCCNCCc1ccco1 2230a_100000694680_100000210303 [0,0,0,1,0,0|1,0,2]=4 274 B11R1.4 CCCNCCc1ccco1 34a_100000694680_100000210303 [0,0,0,1,0,0|1,0,2]=4 275 B11R1.4 CCCNCCc1cccs1 2230a_100000203755_100000210303 [0,0,0,1,0,0|1,1,1]=4 276 B11R1.4 CCCNCCc1cccs1 34a_100000203755_100000210303 [0,0,0,1,0,0|1,1,1]=4 277 B11R1.4 CCCNN=Cc1ccc[nH]1 4a_100000740057_100000211237 [0,0,0,1,0,0|3,0,0]=4 278 B11R1.4 CCCNN=Cc1ccco1 4a_100000740057_100000186105 [0,0,0,1,0,0|2,0,1]=4 279 B11R1.4 CCCNN=Cc1cccs1 4a_100000740057_100000209959 [0,0,0,1,0,0|2,1,0]=4 280 B11R1.4 CCCOCCc1cccs1 34a_100000210258_100000748579 [0,0,0,1,0,0|1,1,1]=4 281 B11R1.4 CCCOCCc1cccs1 34a_100011216825_100000210303 [0,0,0,1,0,0|1,1,1]=4 282 B11R1.4 CCCOCCc1cccs1 7a_100011216825_100000210303 [0,0,0,1,0,0|1,1,1]=4 283 B11R1.4 CCCSCCc1cccs1 62a_100000210303_100000748579 [0,0,0,1,0,0|1,1,1]=4 284 B11R1.4 CCCSCCc1cccs1 62a_100000748579_100000210303 [0,0,0,1,0,0|1,1,1]=4 285 B11R1.4 CCNCC=Cc1ccco1 270004a_100015525214_100000185671 [0,0,0,1,0,0|1,0,2]=4 286 B11R1.4 CCNCCCc1cccs1 2230a_100015525214_100010992444 [0,0,0,1,0,0|1,1,1]=4 287 B11R1.4 CCOCCCc1cccs1 34a_100011713143_100000210202 [0,0,0,1,0,0|1,1,1]=4 288 B11R1.4 CCOCCCc1cccs1 34a_100121572206_100010992444 [0,0,0,1,0,0|1,1,1]=4 289 B11R1.4 CCOCCCc1cccs1 7a_100011713143_100000210202 [0,0,0,1,0,0|1,1,1]=4 290 B11R1.4 CCOCCSc1ccco1 62a_100000210147_100009814098 [0,0,0,1,0,0|2,0,1]=4 291 B11R1.4 CCOCCSc1ccco1 62a_100009814098_100011215890 [0,0,0,1,0,0|2,0,1]=4 292 B11R1.4 CCOCCSc1cccs1 62a_100000210147_100011215356 [0,0,0,1,0,0|2,1,0]=4 293 B11R1.4 CCOCCSc1cccs1 62a_100011215356_100011215890 [0,0,0,1,0,0|2,1,0]=4 294 B11R1.4 CCSCCCc1cccs1 62a_100000210202_100010992444 [0,0,0,1,0,0|1,1,1]=4 295 B11R1.4 CCSCCCc1cccs1 62a_100010992444_100000210202 [0,0,0,1,0,0|1,1,1]=4 296 B11R1.4 CCSCCSc1ccco1 62a_100000757381_100009814098 [0,0,0,1,0,0|2,0,1]=4 297 B11R1.4 CCSCCSc1ccco1 62a_100009814098_100000757381 [0,0,0,1,0,0|2,0,1]=4 298 B11R1.4 CCSCCSc1cccs1 62a_100000757381_100011215356 [0,0,0,1,0,0|2,1,0]=4 299 B11R1.4 CCSCCSc1cccs1 62a_100011215356_100000757381 [0,0,0,1,0,0|2,1,0]=4 300 B11R1.4 COCCCSc1ccco1 62a_100000709357_100009814098 [0,0,0,1,0,0|2,0,1]=4 301 B11R1.4 COCCCSc1ccco1 62a_100009814098_100000709357 [0,0,0,1,0,0|2,0,1]=4 302 B11R1.4 COCCCSc1cccs1 62a_100000709357_100011215356 [0,0,0,1,0,0|2,1,0]=4 303 B11R1.4 COCCCSc1cccs1 62a_100011215356_100000709357 [0,0,0,1,0,0|2,1,0]=4 304 B11R1.4 FCCCCSc1ccco1 62a_100000729493_100009814098 [0,0,0,1,0,0|2,0,1]=4 305 B11R1.4 FCCCCSc1ccco1 62a_100009814098_100000729493 [0,0,0,1,0,0|2,0,1]=4 306 B11R1.4 FCCCCSc1cccs1 62a_100000729493_100011215356 [0,0,0,1,0,0|2,1,0]=4 307 B11R1.4 FCCCCSc1cccs1 62a_100011215356_100000729493 [0,0,0,1,0,0|2,1,0]=4 308 B11R1.4 OCCCCSc1ccco1 62a_100000210776_100009814098 [0,0,0,1,0,0|2,0,1]=4 309 B11R1.4 OCCCCSc1ccco1 62a_100009814098_100000210776 [0,0,0,1,0,0|2,0,1]=4 310 B11R1.4 OCCCCSc1cccs1 62a_100000210776_100011215356 [0,0,0,1,0,0|2,1,0]=4 311 B11R1.4 OCCCCSc1cccs1 62a_100011215356_100000210776 [0,0,0,1,0,0|2,1,0]=4 312 B11R1.5 CCOc1cccccc1=O 34a_100000036025_100000210202 [0,0,0,1,0,0|1,0,2]=4 313 B11R1.5 CCOc1cccccc1=O 7a_100000036025_100000210202 [0,0,0,1,0,0|1,0,2]=4 314 B11R1.17 CCCCc1c[nH]ccc1=O 271570a_100020621405_100009998708 [0,0,0,1,0,0|1,0,1]=3 315 B11R1.17 CCCCc1c[nH]ccc1=S 271570a_100020621405_200012280681 [0,0,0,1,0,0|1,1,1]=4 316 B11R1.17 CCCCc1ccc[nH]c1=O 271570a_100020621405_100000050042 [0,0,0,1,0,0|1,0,1]=3 317 B11R1.17 CCCCc1cccc[n+]1C 271570a_100020621405_100000212160 [0,0,0,1,0,0|2,0,1]=4 318 B11R1.17 CCCCc1cccc[n+]1[O-] 271570a_100020621405_200000042595 [0,0,0,1,0,0|1,0,2]=4 319 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [0,0,0,1,0,0|1,0,1]=3 320 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [0,0,0,1,0,0|1,0,1]=3 321 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [0,0,0,1,0,0|1,0,1]=3 322 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [0,0,0,1,0,0|1,0,1]=3 323 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [0,0,0,1,0,0|1,0,1]=3 324 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [0,0,0,1,0,0|0,0,2]=3 325 B11R1.17 CCCCc1cccnc1Br 271570a_100020621405_100010202626 [0,0,0,1,0,0|2,0,1]=4 326 B11R1.17 CCCCc1cccnc1C 271570a_100020621405_100000751574 [0,0,0,1,0,0|2,0,1]=4 327 B11R1.17 CCCCc1cccnc1Cl 271570a_100020621405_100000036424 [0,0,0,1,0,0|2,0,1]=4 328 B11R1.17 CCCCc1cccnc1F 271570a_100020621405_100009816115 [0,0,0,1,0,0|2,0,1]=4 329 B11R1.17 CCCCc1cccnc1N 271570a_100020621405_100000045569 [0,0,0,1,0,0|2,0,1]=4 330 B11R1.17 CCCCc1ccn[nH]c1=O 271570a_100020621405_100000087129 [0,0,0,1,0,0|2,0,1]=4 331 B11R1.17 CCCCc1ccncc1Br 271570a_100020621405_100000726257 [0,0,0,1,0,0|2,0,1]=4 332 B11R1.17 CCCCc1ccncc1C 271570a_100020621405_100015191297 [0,0,0,1,0,0|2,0,1]=4 333 B11R1.17 CCCCc1ccncc1Cl 271570a_100020621405_100000708259 [0,0,0,1,0,0|2,0,1]=4 334 B11R1.17 CCCCc1ccncc1F 271570a_100020621405_100000047030 [0,0,0,1,0,0|2,0,1]=4 335 B11R1.17 CCCCc1ccncc1N 271570a_100020621405_100009815883 [0,0,0,1,0,0|2,0,1]=4 336 B11R1.17 CCCCc1ccncc1O 271570a_100020621405_100009817591 [0,0,0,1,0,0|1,0,2]=4 337 B11R1.17 CCCCc1cnccc1Br 271570a_100020621405_100010138639 [0,0,0,1,0,0|2,0,1]=4 338 B11R1.17 CCCCc1cnccc1C 271570a_100020621405_100000761580 [0,0,0,1,0,0|2,0,1]=4 339 B11R1.17 CCCCc1cnccc1Cl 271570a_100020621405_100009995489 [0,0,0,1,0,0|2,0,1]=4 340 B11R1.17 CCCCc1cnccc1F 271570a_100020621405_100009820683 [0,0,0,1,0,0|2,0,1]=4 341 B11R1.17 CCCCc1cnccc1N 271570a_100020621405_100000047001 [0,0,0,1,0,0|2,0,1]=4 342 B11R1.17 CCCCc1ncc[nH]c1=O 271570a_100020621405_100000763361 [0,0,0,1,0,0|2,0,1]=4 343 B11R1.17 CCCCc1ncccc1Br 271570a_100020621405_100000696092 [0,0,0,1,0,0|2,0,1]=4 344 B11R1.17 CCCCc1ncccc1C 271570a_100020621405_100000751373 [0,0,0,1,0,0|2,0,1]=4 345 B11R1.17 CCCCc1ncccc1Cl 271570a_100020621405_100011356963 [0,0,0,1,0,0|2,0,1]=4 346 B11R1.17 CCCCc1ncccc1F 271570a_100020621405_100000685392 [0,0,0,1,0,0|2,0,1]=4 347 B11R1.17 CCCCc1ncccc1N 271570a_100020621405_100000688686 [0,0,0,1,0,0|2,0,1]=4 348 B11R1.17 CCCCc1ncccc1O 271570a_100020621405_100000034122 [0,0,0,1,0,0|1,0,2]=4 349 B11R1.17 CCCNc1ccccc1Br 34a_100000210017_100000210303 [0,0,0,1,0,0|2,0,1]=4 350 B11R1.17 CCCNc1ccccc1C 34a_100015192222_100000210303 [0,0,0,1,0,0|2,0,1]=4 351 B11R1.17 CCCNc1ccccc1Cl 34a_100000185783_100000210303 [0,0,0,1,0,0|2,0,1]=4 352 B11R1.17 CCCNc1ccccc1F 34a_100000210422_100000210303 [0,0,0,1,0,0|2,0,1]=4 353 B11R1.17 CCCNc1ccccc1I 34a_100000210053_100000210303 [0,0,0,1,0,0|2,0,1]=4 354 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [0,0,0,1,0,0|1,0,2]=4 355 B11R1.17 CCCOc1ccccc1Br 34a_100000181306_100000210303 [0,0,0,1,0,0|2,0,1]=4 356 B11R1.17 CCCOc1ccccc1Br 7a_100000181306_100000210303 [0,0,0,1,0,0|2,0,1]=4 357 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [0,0,0,1,0,0|2,0,1]=4 358 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [0,0,0,1,0,0|2,0,1]=4 359 B11R1.17 CCCOc1ccccc1Cl 34a_100000210172_100000210303 [0,0,0,1,0,0|2,0,1]=4 360 B11R1.17 CCCOc1ccccc1Cl 7a_100000210172_100000210303 [0,0,0,1,0,0|2,0,1]=4 361 B11R1.17 CCCOc1ccccc1F 34a_100000210171_100000210303 [0,0,0,1,0,0|2,0,1]=4 362 B11R1.17 CCCOc1ccccc1F 7a_100000210171_100000210303 [0,0,0,1,0,0|2,0,1]=4 363 B11R1.17 CCCOc1ccccc1I 34a_100000739446_100000210303 [0,0,0,1,0,0|2,0,1]=4 364 B11R1.17 CCCOc1ccccc1I 7a_100000739446_100000210303 [0,0,0,1,0,0|2,0,1]=4 365 B11R1.17 CCCOc1ccccc1N 34a_100000185747_100000210303 [0,0,0,1,0,0|2,0,1]=4 366 B11R1.17 CCCOc1ccccc1N 7a_100000185747_100000210303 [0,0,0,1,0,0|2,0,1]=4 367 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [0,0,0,1,0,0|1,0,2]=4 368 B11R1.17 CCCOc1cccoc1=O 34a_100000077404_100000210303 [0,0,0,1,0,0|2,0,1]=4 369 B11R1.17 CCCOc1cccoc1=O 7a_100000077404_100000210303 [0,0,0,1,0,0|2,0,1]=4 370 B11R1.17 CCCOc1coccc1=O 34a_100000060831_100000210303 [0,0,0,1,0,0|2,0,1]=4 371 B11R1.17 CCCSc1c[nH]ccc1=O 62a_100000210303_100009998708 [0,0,0,1,0,0|2,0,1]=4 372 B11R1.17 CCCSc1c[nH]ccc1=O 62a_100009998708_100000210303 [0,0,0,1,0,0|2,0,1]=4 373 B11R1.17 CCCSc1ccccc1Br 62a_100000210303_100000695589 [0,0,0,1,0,0|2,0,1]=4 374 B11R1.17 CCCSc1ccccc1Br 62a_100000695589_100000210303 [0,0,0,1,0,0|2,0,1]=4 375 B11R1.17 CCCSc1ccccc1C 62a_100000210303_100000210755 [0,0,0,1,0,0|2,0,1]=4 376 B11R1.17 CCCSc1ccccc1C 62a_100000210755_100000210303 [0,0,0,1,0,0|2,0,1]=4 377 B11R1.17 CCCSc1ccccc1Cl 62a_100000210303_100000764095 [0,0,0,1,0,0|2,0,1]=4 378 B11R1.17 CCCSc1ccccc1Cl 62a_100000764095_100000210303 [0,0,0,1,0,0|2,0,1]=4 379 B11R1.17 CCCSc1ccccc1F 62a_100000210303_100011215700 [0,0,0,1,0,0|2,0,1]=4 380 B11R1.17 CCCSc1ccccc1F 62a_100011215700_100000210303 [0,0,0,1,0,0|2,0,1]=4 381 B11R1.17 CCCSc1ccccc1N 62a_100000210017_100000210303 [0,0,0,1,0,0|2,0,1]=4 382 B11R1.17 CCCSc1ccccc1N 62a_100000210303_100000210017 [0,0,0,1,0,0|2,0,1]=4 383 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [0,0,0,1,0,0|1,0,2]=4 384 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [0,0,0,1,0,0|1,0,2]=4 385 B11R1.17 CCNCc1ccccc1Br 207a_100015525214_100000211189 [0,0,0,1,0,0|2,0,1]=4 386 B11R1.17 CCNCc1ccccc1Br 2230a_100000689332_100000210202 [0,0,0,1,0,0|2,0,1]=4 387 B11R1.17 CCNCc1ccccc1Br 2230a_100015525214_100000184730 [0,0,0,1,0,0|2,0,1]=4 388 B11R1.17 CCNCc1ccccc1Br 270004a_100015525214_100000211189 [0,0,0,1,0,0|2,0,1]=4 389 B11R1.17 CCNCc1ccccc1Br 34a_100000689332_100000210202 [0,0,0,1,0,0|2,0,1]=4 390 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [0,0,0,1,0,0|2,0,1]=4 391 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [0,0,0,1,0,0|2,0,1]=4 392 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [0,0,0,1,0,0|2,0,1]=4 393 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [0,0,0,1,0,0|2,0,1]=4 394 B11R1.17 CCNCc1ccccc1Cl 207a_100015525214_100000210073 [0,0,0,1,0,0|2,0,1]=4 395 B11R1.17 CCNCc1ccccc1Cl 2230a_100000174879_100000210202 [0,0,0,1,0,0|2,0,1]=4 396 B11R1.17 CCNCc1ccccc1Cl 2230a_100015525214_100000187162 [0,0,0,1,0,0|2,0,1]=4 397 B11R1.17 CCNCc1ccccc1Cl 270004a_100015525214_100000210073 [0,0,0,1,0,0|2,0,1]=4 398 B11R1.17 CCNCc1ccccc1Cl 34a_100000174879_100000210202 [0,0,0,1,0,0|2,0,1]=4 399 B11R1.17 CCNCc1ccccc1F 207a_100015525214_100000210811 [0,0,0,1,0,0|2,0,1]=4 400 B11R1.17 CCNCc1ccccc1F 2230a_100015525214_100000211605 [0,0,0,1,0,0|2,0,1]=4 401 B11R1.17 CCNCc1ccccc1F 270004a_100015525214_100000210811 [0,0,0,1,0,0|2,0,1]=4 402 B11R1.17 CCNCc1ccccc1F 34a_100000174869_100000210202 [0,0,0,1,0,0|2,0,1]=4 403 B11R1.17 CCNCc1ccccc1I 207a_100015525214_100000010305 [0,0,0,1,0,0|2,0,1]=4 404 B11R1.17 CCNCc1ccccc1I 2230a_100015525214_100011215278 [0,0,0,1,0,0|2,0,1]=4 405 B11R1.17 CCNCc1ccccc1I 270004a_100015525214_100000010305 [0,0,0,1,0,0|2,0,1]=4 406 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [0,0,0,1,0,0|1,0,2]=4 407 B11R1.17 CCOCc1ccccc1Br 34a_100000756307_100000210202 [0,0,0,1,0,0|2,0,1]=4 408 B11R1.17 CCOCc1ccccc1Br 34a_100121572206_100000184730 [0,0,0,1,0,0|2,0,1]=4 409 B11R1.17 CCOCc1ccccc1Br 7a_100000756307_100000210202 [0,0,0,1,0,0|2,0,1]=4 410 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [0,0,0,1,0,0|2,0,1]=4 411 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [0,0,0,1,0,0|2,0,1]=4 412 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [0,0,0,1,0,0|2,0,1]=4 413 B11R1.17 CCOCc1ccccc1Cl 34a_100000210847_100000210202 [0,0,0,1,0,0|2,0,1]=4 414 B11R1.17 CCOCc1ccccc1Cl 34a_100121572206_100000187162 [0,0,0,1,0,0|2,0,1]=4 415 B11R1.17 CCOCc1ccccc1Cl 7a_100000210847_100000210202 [0,0,0,1,0,0|2,0,1]=4 416 B11R1.17 CCOCc1ccccc1F 34a_100000211962_100000210202 [0,0,0,1,0,0|2,0,1]=4 417 B11R1.17 CCOCc1ccccc1F 34a_100121572206_100000211605 [0,0,0,1,0,0|2,0,1]=4 418 B11R1.17 CCOCc1ccccc1F 7a_100000211962_100000210202 [0,0,0,1,0,0|2,0,1]=4 419 B11R1.17 CCOCc1ccccc1I 34a_100000187465_100000210202 [0,0,0,1,0,0|2,0,1]=4 420 B11R1.17 CCOCc1ccccc1I 34a_100121572206_100011215278 [0,0,0,1,0,0|2,0,1]=4 421 B11R1.17 CCOCc1ccccc1I 7a_100000187465_100000210202 [0,0,0,1,0,0|2,0,1]=4 422 B11R1.17 CCOCc1ccccc1N 34a_100000212039_100000210202 [0,0,0,1,0,0|2,0,1]=4 423 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [0,0,0,1,0,0|1,0,2]=4 424 B11R1.17 CCSCc1ccccc1Br 62a_100000184730_100000210202 [0,0,0,1,0,0|2,0,1]=4 425 B11R1.17 CCSCc1ccccc1Br 62a_100000210202_100000184730 [0,0,0,1,0,0|2,0,1]=4 426 B11R1.17 CCSCc1ccccc1C 62a_100000210202_100000211839 [0,0,0,1,0,0|2,0,1]=4 427 B11R1.17 CCSCc1ccccc1C 62a_100000211839_100000210202 [0,0,0,1,0,0|2,0,1]=4 428 B11R1.17 CCSCc1ccccc1Cl 62a_100000187162_100000210202 [0,0,0,1,0,0|2,0,1]=4 429 B11R1.17 CCSCc1ccccc1Cl 62a_100000210202_100000187162 [0,0,0,1,0,0|2,0,1]=4 430 B11R1.17 CCSCc1ccccc1F 62a_100000210202_100000211605 [0,0,0,1,0,0|2,0,1]=4 431 B11R1.17 CCSCc1ccccc1F 62a_100000211605_100000210202 [0,0,0,1,0,0|2,0,1]=4 432 B11R1.17 CCSCc1ccccc1I 62a_100000210202_100011216222 [0,0,0,1,0,0|2,0,1]=4 433 B11R1.17 CCSCc1ccccc1I 62a_100011216222_100000210202 [0,0,0,1,0,0|2,0,1]=4 434 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [0,0,0,1,0,0|1,0,2]=4 435 B11R1.17 CNCCc1ccccc1Br 2230a_100000747383_200000210301 [0,0,0,1,0,0|2,0,1]=4 436 B11R1.17 CNCCc1ccccc1Br 2230a_106832991635_100012161201 [0,0,0,1,0,0|2,0,1]=4 437 B11R1.17 CNCCc1ccccc1Br 34a_100000747383_200000210301 [0,0,0,1,0,0|2,0,1]=4 438 B11R1.17 CNCCc1ccccc1Br 34a_100102657272_100012161201 [0,0,0,1,0,0|2,0,1]=4 439 B11R1.17 CNCCc1ccccc1Br 7a_106832991635_100012161201 [0,0,0,1,0,0|2,0,1]=4 440 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [0,0,0,1,0,0|2,0,1]=4 441 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [0,0,0,1,0,0|2,0,1]=4 442 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [0,0,0,1,0,0|2,0,1]=4 443 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [0,0,0,1,0,0|2,0,1]=4 444 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [0,0,0,1,0,0|2,0,1]=4 445 B11R1.17 CNCCc1ccccc1Cl 2230a_100011207228_200000210301 [0,0,0,1,0,0|2,0,1]=4 446 B11R1.17 CNCCc1ccccc1Cl 2230a_106832991635_100011713703 [0,0,0,1,0,0|2,0,1]=4 447 B11R1.17 CNCCc1ccccc1Cl 270004a_106832991635_200011713468 [0,0,0,1,0,0|2,0,1]=4 448 B11R1.17 CNCCc1ccccc1Cl 34a_100011207228_200000210301 [0,0,0,1,0,0|2,0,1]=4 449 B11R1.17 CNCCc1ccccc1Cl 34a_100102657272_100011713703 [0,0,0,1,0,0|2,0,1]=4 450 B11R1.17 CNCCc1ccccc1Cl 7a_106832991635_100011713703 [0,0,0,1,0,0|2,0,1]=4 451 B11R1.17 CNCCc1ccccc1F 2230a_100000185272_200000210301 [0,0,0,1,0,0|2,0,1]=4 452 B11R1.17 CNCCc1ccccc1F 2230a_106832991635_100011713696 [0,0,0,1,0,0|2,0,1]=4 453 B11R1.17 CNCCc1ccccc1F 34a_100000185272_200000210301 [0,0,0,1,0,0|2,0,1]=4 454 B11R1.17 CNCCc1ccccc1F 34a_100102657272_100000720011 [0,0,0,1,0,0|2,0,1]=4 455 B11R1.17 CNCCc1ccccc1F 7a_106832991635_100000720011 [0,0,0,1,0,0|2,0,1]=4 456 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [0,0,0,1,0,0|1,0,2]=4 457 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [0,0,0,1,0,0|1,0,2]=4 458 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [0,0,0,1,0,0|1,0,2]=4 459 B11R1.17 CNCCn1ccccc1=O 2230a_100000687133_200000210301 [0,0,0,1,0,0|2,0,0]=3 460 B11R1.17 COCCc1ccccc1Br 34a_100000731337_200000210301 [0,0,0,1,0,0|2,0,1]=4 461 B11R1.17 COCCc1ccccc1Br 34a_100138415774_100012161201 [0,0,0,1,0,0|2,0,1]=4 462 B11R1.17 COCCc1ccccc1Br 7a_100000731337_200000210301 [0,0,0,1,0,0|2,0,1]=4 463 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [0,0,0,1,0,0|2,0,1]=4 464 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [0,0,0,1,0,0|2,0,1]=4 465 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [0,0,0,1,0,0|2,0,1]=4 466 B11R1.17 COCCc1ccccc1Cl 34a_100011215284_200000210301 [0,0,0,1,0,0|2,0,1]=4 467 B11R1.17 COCCc1ccccc1Cl 34a_100138415774_100011713703 [0,0,0,1,0,0|2,0,1]=4 468 B11R1.17 COCCc1ccccc1Cl 7a_100011215284_200000210301 [0,0,0,1,0,0|2,0,1]=4 469 B11R1.17 COCCc1ccccc1F 34a_100000753711_200000210301 [0,0,0,1,0,0|2,0,1]=4 470 B11R1.17 COCCc1ccccc1F 34a_100138415774_100000720011 [0,0,0,1,0,0|2,0,1]=4 471 B11R1.17 COCCc1ccccc1F 7a_100000753711_200000210301 [0,0,0,1,0,0|2,0,1]=4 472 B11R1.17 COCCc1ccccc1I 34a_100010255290_200000210301 [0,0,0,1,0,0|2,0,1]=4 473 B11R1.17 COCCc1ccccc1I 7a_100010255290_200000210301 [0,0,0,1,0,0|2,0,1]=4 474 B11R1.17 COCCc1ccccc1N 34a_100011215289_200000210301 [0,0,0,1,0,0|2,0,1]=4 475 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [0,0,0,1,0,0|1,0,2]=4 476 B11R1.17 CSCCc1ccccc1Br 62a_100012161201_200000210301 [0,0,0,1,0,0|2,0,1]=4 477 B11R1.17 CSCCc1ccccc1Br 62a_200000210301_100012161201 [0,0,0,1,0,0|2,0,1]=4 478 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [0,0,0,1,0,0|2,0,1]=4 479 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [0,0,0,1,0,0|2,0,1]=4 480 B11R1.17 CSCCc1ccccc1Cl 62a_100011713703_200000210301 [0,0,0,1,0,0|2,0,1]=4 481 B11R1.17 CSCCc1ccccc1Cl 62a_200000210301_100011713703 [0,0,0,1,0,0|2,0,1]=4 482 B11R1.17 CSCCc1ccccc1F 62a_100011713696_200000210301 [0,0,0,1,0,0|2,0,1]=4 483 B11R1.17 CSCCc1ccccc1F 62a_200000210301_100011713696 [0,0,0,1,0,0|2,0,1]=4 484 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [0,0,0,1,0,0|1,0,2]=4 485 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [0,0,0,1,0,0|1,0,2]=4 486 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [0,0,0,1,0,0|2,0,1]=4 487 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [0,0,0,1,0,0|2,0,1]=4 488 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [0,0,0,1,0,0|2,0,1]=4 489 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [0,0,0,1,0,0|2,0,1]=4 490 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [0,0,0,1,0,0|2,0,1]=4 491 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [0,0,0,1,0,0|2,0,1]=4 492 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [0,0,0,1,0,0|1,0,2]=4 493 B11R1.17 [13CH3]NCCc1ccccc1Br 2230a_100000747383_200025704644 [0,0,0,1,0,0|2,0,1]=4 494 B11R1.17 [13CH3]NCCc1ccccc1Br 34a_100000747383_200025704644 [0,0,0,1,0,0|2,0,1]=4 495 B11R1.17 [13CH3]NCCc1ccccc1Cl 2230a_100011207228_200025704644 [0,0,0,1,0,0|2,0,1]=4 496 B11R1.17 [13CH3]NCCc1ccccc1Cl 34a_100011207228_200025704644 [0,0,0,1,0,0|2,0,1]=4 497 B11R1.17 [13CH3]NCCc1ccccc1F 2230a_100000185272_200025704644 [0,0,0,1,0,0|2,0,1]=4 498 B11R1.17 [13CH3]NCCc1ccccc1F 34a_100000185272_200025704644 [0,0,0,1,0,0|2,0,1]=4 499 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [0,0,0,1,0,0|1,0,2]=4 500 B11R1.17 [13CH3]NCCn1ccccc1=O 2230a_100000687133_200025704644 [0,0,0,1,0,0|2,0,0]=3 501 B11R1.17 [13CH3]OCCc1ccccc1Br 34a_100000731337_200025704644 [0,0,0,1,0,0|2,0,1]=4 502 B11R1.17 [13CH3]OCCc1ccccc1Br 7a_100000731337_200025704644 [0,0,0,1,0,0|2,0,1]=4 503 B11R1.17 [13CH3]OCCc1ccccc1Cl 34a_100011215284_200025704644 [0,0,0,1,0,0|2,0,1]=4 504 B11R1.17 [13CH3]OCCc1ccccc1Cl 7a_100011215284_200025704644 [0,0,0,1,0,0|2,0,1]=4 505 B11R1.17 [13CH3]OCCc1ccccc1F 34a_100000753711_200025704644 [0,0,0,1,0,0|2,0,1]=4 506 B11R1.17 [13CH3]OCCc1ccccc1F 7a_100000753711_200025704644 [0,0,0,1,0,0|2,0,1]=4 507 B11R1.17 [13CH3]OCCc1ccccc1I 34a_100010255290_200025704644 [0,0,0,1,0,0|2,0,1]=4 508 B11R1.17 [13CH3]OCCc1ccccc1I 7a_100010255290_200025704644 [0,0,0,1,0,0|2,0,1]=4 509 B11R1.17 [13CH3]OCCc1ccccc1N 34a_100011215289_200025704644 [0,0,0,1,0,0|2,0,1]=4 510 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_100012161201_200025704644 [0,0,0,1,0,0|2,0,1]=4 511 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_200025704644_100012161201 [0,0,0,1,0,0|2,0,1]=4 512 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_100011713703_200025704644 [0,0,0,1,0,0|2,0,1]=4 513 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_200025704644_100011713703 [0,0,0,1,0,0|2,0,1]=4 514 B11R1.17 [13CH3]SCCc1ccccc1F 62a_100011713696_200025704644 [0,0,0,1,0,0|2,0,1]=4 515 B11R1.17 [13CH3]SCCc1ccccc1F 62a_200025704644_100011713696 [0,0,0,1,0,0|2,0,1]=4 516 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [0,0,0,1,0,0|1,0,2]=4 517 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [0,0,0,1,0,0|1,0,2]=4 518 B11R1.18 C=Cc1ccnn1CCCC 271570a_100011290941_200010264484 [0,0,0,1,0,0|3,0,0]=4 519 B11R1.18 C=Cc1sccc1CCCC 271570a_100011290941_100010071534 [0,0,0,1,0,0|2,0,1]=4 520 B11R1.18 CCCCc1ccoc1C=O 271570a_100020621405_100000756499 [0,0,0,1,0,0|1,0,1]=3 521 B11R1.18 CCCCc1ccsc1C=O 271570a_100020621405_100000766043 [0,0,0,1,0,0|1,0,1]=3 522 B11R1.18 CCCCc1cscc1C=O 271570a_100020621405_100000685484 [0,0,0,1,0,0|1,0,1]=3 523 B11R1.18 CCCCc1sccc1C=O 271570a_100020621405_100009816921 [0,0,0,1,0,0|1,0,1]=3 524 B11R1.18 CCCSc1ccoc1C=O 62a_100000210303_100000756499 [0,0,0,1,0,0|2,0,1]=4 525 B11R1.18 CCCSc1ccoc1C=O 62a_100000756499_100000210303 [0,0,0,1,0,0|2,0,1]=4 526 B11R1.18 CCCSc1ccsc1C=O 62a_100000210303_100000766043 [0,0,0,1,0,0|2,0,1]=4 527 B11R1.18 CCCSc1ccsc1C=O 62a_100000766043_100000210303 [0,0,0,1,0,0|2,0,1]=4 528 B11R1.18 CCCSc1cscc1C=O 62a_100000210303_100000685484 [0,0,0,1,0,0|2,0,1]=4 529 B11R1.18 CCCSc1cscc1C=O 62a_100000685484_100000210303 [0,0,0,1,0,0|2,0,1]=4 530 B11R1.18 CCCSc1sccc1C=O 62a_100000210303_100009816921 [0,0,0,1,0,0|2,0,1]=4 531 B11R1.18 CCCSc1sccc1C=O 62a_100009816921_100000210303 [0,0,0,1,0,0|2,0,1]=4 532 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [0,0,0,1,0,0|3,0,0]=4 533 B11R1.28 BrCCOCc1ccccn1 34a_100000211926_100000721315 [0,0,0,1,0,0|3,0,0]=4 534 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [0,0,0,1,0,0|1,0,2]=4 535 B11R1.28 CCCC=Cc1ccccn1 271570a_100016258520_100011216584 [0,0,0,1,0,0|1,0,2]=4 536 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [0,0,0,1,0,0|2,0,0]=3 537 B11R1.28 CCCCNc1cccnn1 27a_100000102301_100016991348 [0,0,0,1,0,0|3,0,0]=4 538 B11R1.28 CCCCNc1ccncn1 27a_100000102301_100000703185 [0,0,0,1,0,0|3,0,0]=4 539 B11R1.28 CCCCNc1cnccn1 27a_100000102301_100000211759 [0,0,0,1,0,0|3,0,0]=4 540 B11R1.28 CCCCNc1ncccn1 27a_100000102301_100000211032 [0,0,0,1,0,0|3,0,0]=4 541 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [0,0,0,1,0,0|2,0,0]=3 542 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [0,0,0,1,0,0|2,0,0]=3 543 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [0,0,0,1,0,0|3,0,0]=4 544 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [0,0,0,1,0,0|3,0,0]=4 545 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [0,0,0,1,0,0|3,0,0]=4 546 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [0,0,0,1,0,0|2,0,0]=3 547 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [0,0,0,1,0,0|2,0,0]=3 548 B11R1.28 CCCCSc1ccccn1 62a_100000210211_100011216584 [0,0,0,1,0,0|2,0,0]=3 549 B11R1.28 CCCCSc1ccccn1 62a_100011216584_100000210210 [0,0,0,1,0,0|2,0,0]=3 550 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [0,0,0,1,0,0|3,0,0]=4 551 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [0,0,0,1,0,0|3,0,0]=4 552 B11R1.28 CCCCSc1cccnn1 62a_100000210211_100016991348 [0,0,0,1,0,0|3,0,0]=4 553 B11R1.28 CCCCSc1cccnn1 62a_100016991348_100000210210 [0,0,0,1,0,0|3,0,0]=4 554 B11R1.28 CCCCSc1ccncc1 62a_100000210211_100000728582 [0,0,0,1,0,0|3,0,0]=4 555 B11R1.28 CCCCSc1ccncc1 62a_100000728582_100000210210 [0,0,0,1,0,0|3,0,0]=4 556 B11R1.28 CCCCSc1ccncn1 62a_100000210211_100000703185 [0,0,0,1,0,0|3,0,0]=4 557 B11R1.28 CCCCSc1ccncn1 62a_100000703185_100000210210 [0,0,0,1,0,0|3,0,0]=4 558 B11R1.28 CCCCSc1cnccn1 62a_100000210211_100000211759 [0,0,0,1,0,0|3,0,0]=4 559 B11R1.28 CCCCSc1cnccn1 62a_100000211759_100000210210 [0,0,0,1,0,0|3,0,0]=4 560 B11R1.28 CCCCSc1ncccn1 62a_100000210211_100000211032 [0,0,0,1,0,0|3,0,0]=4 561 B11R1.28 CCCCSc1ncccn1 62a_100000211032_100000210210 [0,0,0,1,0,0|3,0,0]=4 562 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [0,0,0,1,0,0|2,0,0]=3 563 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [0,0,0,1,0,0|2,0,0]=3 564 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [0,0,0,1,0,0|2,0,0]=3 565 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [0,0,0,1,0,0|2,0,0]=3 566 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [0,0,0,1,0,0|2,0,0]=3 567 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [0,0,0,1,0,0|2,0,0]=3 568 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [0,0,0,1,0,0|3,0,0]=4 569 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [0,0,0,1,0,0|3,0,0]=4 570 B11R1.28 CCCNCc1cccnn1 2230a_100159270163_100000210303 [0,0,0,1,0,0|3,0,0]=4 571 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [0,0,0,1,0,0|3,0,0]=4 572 B11R1.28 CCCNCc1cnccn1 270004a_100020643023_100000749867 [0,0,0,1,0,0|3,0,0]=4 573 B11R1.28 CCCNCc1ncccn1 270004a_100020643023_100011532527 [0,0,0,1,0,0|3,0,0]=4 574 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [0,0,0,1,0,0|2,0,0]=3 575 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [0,0,0,1,0,0|2,0,0]=3 576 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [0,0,0,1,0,0|2,0,0]=3 577 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [0,0,0,1,0,0|2,0,0]=3 578 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [0,0,0,1,0,0|3,0,0]=4 579 B11R1.28 CCCOCc1cccnn1 34a_100000210258_100016990269 [0,0,0,1,0,0|3,0,0]=4 580 B11R1.28 CCCOCc1cnccn1 34a_100000210258_100016995436 [0,0,0,1,0,0|3,0,0]=4 581 B11R1.28 CCCOCc1ncccn1 34a_100000210258_100000703007 [0,0,0,1,0,0|3,0,0]=4 582 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [0,0,0,1,0,0|2,0,0]=3 583 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [0,0,0,1,0,0|2,0,0]=3 584 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [0,0,0,1,0,0|2,0,0]=3 585 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [0,0,0,1,0,0|2,0,0]=3 586 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [0,0,0,1,0,0|3,0,0]=4 587 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [0,0,0,1,0,0|3,0,0]=4 588 B11R1.28 CCCSCc1cccnn1 62a_100000210303_100016990269 [0,0,0,1,0,0|3,0,0]=4 589 B11R1.28 CCCSCc1cccnn1 62a_100016990269_100000210303 [0,0,0,1,0,0|3,0,0]=4 590 B11R1.28 CCCSCc1ccncc1 62a_100000210303_100015193705 [0,0,0,1,0,0|3,0,0]=4 591 B11R1.28 CCCSCc1ccncc1 62a_100015193705_100000210303 [0,0,0,1,0,0|3,0,0]=4 592 B11R1.28 CCCSCc1cnccn1 62a_100000210303_100016995436 [0,0,0,1,0,0|3,0,0]=4 593 B11R1.28 CCCSCc1cnccn1 62a_100016995436_100000210303 [0,0,0,1,0,0|3,0,0]=4 594 B11R1.28 CCCSCc1ncccn1 62a_100000210303_100000703007 [0,0,0,1,0,0|3,0,0]=4 595 B11R1.28 CCCSCc1ncccn1 62a_100000703007_100000210303 [0,0,0,1,0,0|3,0,0]=4 596 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [0,0,0,1,0,0|2,0,0]=3 597 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [0,0,0,1,0,0|2,0,0]=3 598 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [0,0,0,1,0,0|2,0,0]=3 599 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [0,0,0,1,0,0|2,0,0]=3 600 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [0,0,0,1,0,0|3,0,0]=4 601 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [0,0,0,1,0,0|3,0,0]=4 602 B11R1.28 CCNCCc1ccncc1 2230a_100015525214_100000723409 [0,0,0,1,0,0|3,0,0]=4 603 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [0,0,0,1,0,0|3,0,0]=4 604 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [0,0,0,1,0,0|2,0,0]=3 605 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [0,0,0,1,0,0|2,0,0]=3 606 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [0,0,0,1,0,0|2,0,0]=3 607 B11R1.28 CCOCCc1ccccn1 34a_100000210271_100000210202 [0,0,0,1,0,0|2,0,0]=3 608 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [0,0,0,1,0,0|3,0,0]=4 609 B11R1.28 CCOCCc1ccncc1 34a_100011216225_100000210202 [0,0,0,1,0,0|3,0,0]=4 610 B11R1.28 CCOCCc1cnccn1 34a_100011349526_100000210202 [0,0,0,1,0,0|3,0,0]=4 611 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [0,0,0,1,0,0|3,0,0]=4 612 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [0,0,0,1,0,0|3,0,0]=4 613 B11R1.28 CCOCSc1ccccn1 62a_100000739092_100011216584 [0,0,0,1,0,0|3,0,0]=4 614 B11R1.28 CCOCSc1ccccn1 62a_100011216584_100000739092 [0,0,0,1,0,0|3,0,0]=4 615 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [0,0,0,1,0,0|2,0,0]=3 616 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [0,0,0,1,0,0|2,0,0]=3 617 B11R1.28 CCSCCc1ccccn1 62a_100000210202_100015183660 [0,0,0,1,0,0|2,0,0]=3 618 B11R1.28 CCSCCc1ccccn1 62a_100015183660_100000210202 [0,0,0,1,0,0|2,0,0]=3 619 B11R1.28 CCSCCc1cccnc1 62a_100000210202_200011713674 [0,0,0,1,0,0|3,0,0]=4 620 B11R1.28 CCSCCc1cccnc1 62a_200011713674_100000210202 [0,0,0,1,0,0|3,0,0]=4 621 B11R1.28 CCSCCc1ccncc1 62a_100000210202_100000723409 [0,0,0,1,0,0|3,0,0]=4 622 B11R1.28 CCSCCc1ccncc1 62a_100000723409_100000210202 [0,0,0,1,0,0|3,0,0]=4 623 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [0,0,0,1,0,0|3,0,0]=4 624 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [0,0,0,1,0,0|3,0,0]=4 625 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [0,0,0,1,0,0|2,0,0]=3 626 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [0,0,0,1,0,0|2,0,0]=3 627 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [0,0,0,1,0,0|2,0,0]=3 628 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [0,0,0,1,0,0|2,0,0]=3 629 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [0,0,0,1,0,0|2,0,0]=3 630 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [0,0,0,1,0,0|3,0,0]=4 631 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [0,0,0,1,0,0|3,0,0]=4 632 B11R1.28 CNCCCc1ccncc1 2230a_100011275580_200000210301 [0,0,0,1,0,0|3,0,0]=4 633 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [0,0,0,1,0,0|3,0,0]=4 634 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [0,0,0,1,0,0|3,0,0]=4 635 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [0,0,0,1,0,0|3,0,0]=4 636 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [0,0,0,1,0,0|3,0,0]=4 637 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [0,0,0,1,0,0|3,0,0]=4 638 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [0,0,0,1,0,0|3,0,0]=4 639 B11R1.28 CNCCOc1ccccn1 2230a_106741647558_200000210301 [0,0,0,1,0,0|3,0,0]=4 640 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [0,0,0,1,0,0|3,0,0]=4 641 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [0,0,0,1,0,0|3,0,0]=4 642 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [0,0,0,1,0,0|3,0,0]=4 643 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [0,0,0,1,0,0|3,0,0]=4 644 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [0,0,0,1,0,0|3,0,0]=4 645 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [0,0,0,1,0,0|3,0,0]=4 646 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [0,0,0,1,0,0|3,0,0]=4 647 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [0,0,0,1,0,0|3,0,0]=4 648 B11R1.28 COCCCC1=CCC=CC1 34a_100020667889_200000210301 [0,0,0,1,0,0|2,0,1]=4 649 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [0,0,0,1,0,0|2,0,0]=3 650 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [0,0,0,1,0,0|2,0,0]=3 651 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [0,0,0,1,0,0|2,0,0]=3 652 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [0,0,0,1,0,0|2,0,0]=3 653 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [0,0,0,1,0,0|3,0,0]=4 654 B11R1.28 COCCCc1ccncc1 34a_100000210659_200000210301 [0,0,0,1,0,0|3,0,0]=4 655 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [0,0,0,1,0,0|3,0,0]=4 656 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [0,0,0,1,0,0|3,0,0]=4 657 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [0,0,0,1,0,0|3,0,0]=4 658 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [0,0,0,1,0,0|3,0,0]=4 659 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [0,0,0,1,0,0|3,0,0]=4 660 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [0,0,0,1,0,0|3,0,0]=4 661 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [0,0,0,1,0,0|3,0,0]=4 662 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [0,0,0,1,0,0|3,0,0]=4 663 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [0,0,0,1,0,0|3,0,0]=4 664 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [0,0,0,1,0,0|3,0,0]=4 665 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [0,0,0,1,0,0|3,0,0]=4 666 B11R1.28 COCCSc1ccccn1 62a_100000233755_100011216584 [0,0,0,1,0,0|3,0,0]=4 667 B11R1.28 COCCSc1ccccn1 62a_100011216584_100000233755 [0,0,0,1,0,0|3,0,0]=4 668 B11R1.28 COCCSc1ccccn1 7a_100000156319_200000210301 [0,0,0,1,0,0|3,0,0]=4 669 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [0,0,0,1,0,0|3,0,0]=4 670 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [0,0,0,1,0,0|3,0,0]=4 671 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [0,0,0,1,0,0|3,0,0]=4 672 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [0,0,0,1,0,0|3,0,0]=4 673 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [0,0,0,1,0,0|3,0,0]=4 674 B11R1.28 COCSCc1ccccn1 62a_100000721315_100000766300 [0,0,0,1,0,0|3,0,0]=4 675 B11R1.28 COCSCc1ccccn1 62a_100000766300_100000721315 [0,0,0,1,0,0|3,0,0]=4 676 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [0,0,0,1,0,0|2,0,0]=3 677 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [0,0,0,1,0,0|2,0,0]=3 678 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [0,0,0,1,0,0|3,0,0]=4 679 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [0,0,0,1,0,0|3,0,0]=4 680 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [0,0,0,1,0,0|3,0,0]=4 681 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [0,0,0,1,0,0|3,0,0]=4 682 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [0,0,0,1,0,0|3,0,0]=4 683 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [0,0,0,1,0,0|3,0,0]=4 684 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [0,0,0,1,0,0|3,0,0]=4 685 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [0,0,0,1,0,0|3,0,0]=4 686 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [0,0,0,1,0,0|3,0,0]=4 687 B11R1.28 CSCCSc1ccccn1 62a_100000212216_100011216584 [0,0,0,1,0,0|3,0,0]=4 688 B11R1.28 CSCCSc1ccccn1 62a_100011216584_100000751147 [0,0,0,1,0,0|3,0,0]=4 689 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [0,0,0,1,0,0|3,0,0]=4 690 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [0,0,0,1,0,0|3,0,0]=4 691 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [0,0,0,1,0,0|3,0,0]=4 692 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [0,0,0,1,0,0|3,0,0]=4 693 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [0,0,0,1,0,0|3,0,0]=4 694 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [0,0,0,1,0,0|3,0,0]=4 695 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [0,0,0,1,0,0|3,0,0]=4 696 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [0,0,0,1,0,0|3,0,0]=4 697 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [0,0,0,1,0,0|3,0,0]=4 698 B11R1.28 CSCSCc1ccccn1 62a_100000721315_100011218213 [0,0,0,1,0,0|3,0,0]=4 699 B11R1.28 CSCSCc1ccccn1 62a_100011218213_100000721315 [0,0,0,1,0,0|3,0,0]=4 700 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [0,0,0,1,0,0|3,0,0]=4 701 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [0,0,0,1,0,0|3,0,0]=4 702 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [0,0,0,1,0,0|3,0,0]=4 703 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [0,0,0,1,0,0|3,0,0]=4 704 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [0,0,0,1,0,0|3,0,0]=4 705 B11R1.28 FCCCSc1ccccn1 62a_100011216584_100011934791 [0,0,0,1,0,0|3,0,0]=4 706 B11R1.28 FCCCSc1ccccn1 62a_100011934791_100011216584 [0,0,0,1,0,0|3,0,0]=4 707 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [0,0,0,1,0,0|3,0,0]=4 708 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [0,0,0,1,0,0|3,0,0]=4 709 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [0,0,0,1,0,0|3,0,0]=4 710 B11R1.28 FCCNCc1ccccn1 34a_100000724931_100000721315 [0,0,0,1,0,0|3,0,0]=4 711 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [0,0,0,1,0,0|3,0,0]=4 712 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [0,0,0,1,0,0|3,0,0]=4 713 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [0,0,0,1,0,0|3,0,0]=4 714 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [0,0,0,1,0,0|3,0,0]=4 715 B11R1.28 FCCSCc1ccccn1 62a_100000721315_100011217306 [0,0,0,1,0,0|3,0,0]=4 716 B11R1.28 FCCSCc1ccccn1 62a_100011217306_100000721315 [0,0,0,1,0,0|3,0,0]=4 717 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [0,0,0,1,0,0|3,0,0]=4 718 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [0,0,0,1,0,0|3,0,0]=4 719 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [0,0,0,1,0,0|3,0,0]=4 720 B11R1.28 FCOCCc1ccccn1 34a_100000210271_100015361967 [0,0,0,1,0,0|3,0,0]=4 721 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [0,0,0,1,0,0|3,0,0]=4 722 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [0,0,0,1,0,0|3,0,0]=4 723 B11R1.28 FCSCCc1ccccn1 62a_100015183660_100015361967 [0,0,0,1,0,0|3,0,0]=4 724 B11R1.28 FCSCCc1ccccn1 62a_100015361967_100015183660 [0,0,0,1,0,0|3,0,0]=4 725 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [0,0,0,1,0,0|3,0,0]=4 726 B11R1.28 NCCOCc1ccccn1 34a_100000210304_100000721315 [0,0,0,1,0,0|3,0,0]=4 727 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [0,0,0,1,0,0|3,0,0]=4 728 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [0,0,0,1,0,0|3,0,0]=4 729 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [0,0,0,1,0,0|3,0,0]=4 730 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [0,0,0,1,0,0|3,0,0]=4 731 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [0,0,0,1,0,0|3,0,0]=4 732 B11R1.28 OCCCSc1ccccn1 62a_100011215043_100011216584 [0,0,0,1,0,0|3,0,0]=4 733 B11R1.28 OCCCSc1ccccn1 62a_100011216584_100011215043 [0,0,0,1,0,0|3,0,0]=4 734 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [0,0,0,1,0,0|3,0,0]=4 735 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [0,0,0,1,0,0|3,0,0]=4 736 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [0,0,0,1,0,0|3,0,0]=4 737 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [0,0,0,1,0,0|3,0,0]=4 738 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [0,0,0,1,0,0|3,0,0]=4 739 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [0,0,0,1,0,0|3,0,0]=4 740 B11R1.28 OCCNCc1ccccn1 207a_100000210304_100000209966 [0,0,0,1,0,0|3,0,0]=4 741 B11R1.28 OCCNCc1ccccn1 2230a_100016997473_100000721315 [0,0,0,1,0,0|3,0,0]=4 742 B11R1.28 OCCNCc1ccccn1 270004a_100000210304_100000209966 [0,0,0,1,0,0|3,0,0]=4 743 B11R1.28 OCCNCc1ccccn1 34a_100016990907_100000721315 [0,0,0,1,0,0|3,0,0]=4 744 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [0,0,0,1,0,0|3,0,0]=4 745 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [0,0,0,1,0,0|3,0,0]=4 746 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [0,0,0,1,0,0|3,0,0]=4 747 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [0,0,0,1,0,0|3,0,0]=4 748 B11R1.28 OCCSCc1ccccn1 62a_100000211926_100000721315 [0,0,0,1,0,0|3,0,0]=4 749 B11R1.28 OCCSCc1ccccn1 62a_100000721315_100000211926 [0,0,0,1,0,0|3,0,0]=4 750 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [0,0,0,1,0,0|2,0,0]=3 751 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [0,0,0,1,0,0|2,0,0]=3 752 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [0,0,0,1,0,0|3,0,0]=4 753 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [0,0,0,1,0,0|3,0,0]=4 754 B11R1.28 [13CH3]NCCCc1ccncc1 2230a_100011275580_200025704644 [0,0,0,1,0,0|3,0,0]=4 755 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [0,0,0,1,0,0|3,0,0]=4 756 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [0,0,0,1,0,0|3,0,0]=4 757 B11R1.28 [13CH3]NCCOc1ccccn1 2230a_106741647558_200025704644 [0,0,0,1,0,0|3,0,0]=4 758 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [0,0,0,1,0,0|3,0,0]=4 759 B11R1.28 [13CH3]OCCCC1=CCC=CC1 34a_100020667889_200025704644 [0,0,0,1,0,0|2,0,1]=4 760 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [0,0,0,1,0,0|2,0,0]=3 761 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [0,0,0,1,0,0|2,0,0]=3 762 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [0,0,0,1,0,0|2,0,0]=3 763 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [0,0,0,1,0,0|3,0,0]=4 764 B11R1.28 [13CH3]OCCCc1ccncc1 34a_100000210659_200025704644 [0,0,0,1,0,0|3,0,0]=4 765 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [0,0,0,1,0,0|3,0,0]=4 766 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [0,0,0,1,0,0|3,0,0]=4 767 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [0,0,0,1,0,0|3,0,0]=4 768 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [0,0,0,1,0,0|3,0,0]=4 769 B11R1.28 [13CH3]OCCSc1ccccn1 7a_100000156319_200025704644 [0,0,0,1,0,0|3,0,0]=4 770 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [0,0,0,1,0,0|2,0,0]=3 771 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [0,0,0,1,0,0|2,0,0]=3 772 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [0,0,0,1,0,0|3,0,0]=4 773 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [0,0,0,1,0,0|3,0,0]=4 774 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [0,0,0,1,0,0|3,0,0]=4 775 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [0,0,0,1,0,0|3,0,0]=4 776 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [0,0,0,1,0,0|3,0,0]=4 777 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [0,0,0,1,0,0|3,0,0]=4 778 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [0,0,0,1,0,0|3,0,0]=4 779 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [0,0,0,1,0,0|3,0,0]=4 780 B11R1.41 CCSc1ccccc1C=O 62a_100000210073_100000210202 [0,0,0,1,0,0|1,0,2]=4 781 B11R1.41 CCSc1ccccc1C=O 62a_100000210202_100000210073 [0,0,0,1,0,0|1,0,2]=4 782 B11R1.41 CCSc1ncccc1C=O 62a_100000210202_100009816751 [0,0,0,1,0,0|2,0,1]=4 783 B11R1.41 CCSc1ncccc1C=O 62a_100009816751_100000210202 [0,0,0,1,0,0|2,0,1]=4 784 B11R1.41 CNCc1ccccc1C=O 2230a_106832991635_200009853537 [0,0,0,1,0,0|1,0,2]=4 785 B11R1.41 CNCc1ccccc1C=O 34a_100102657272_200009853537 [0,0,0,1,0,0|1,0,2]=4 786 B11R1.41 CNCc1ccccc1C=O 7a_106832991635_200009853537 [0,0,0,1,0,0|1,0,2]=4 787 B11R1.41 COCc1ccccc1C=O 34a_100138415774_200009853537 [0,0,0,1,0,0|1,0,2]=4 788 B11R1.41 CSCc1ccccc1C=O 62a_200000210301_200009853537 [0,0,0,1,0,0|1,0,2]=4 789 B11R1.41 CSCc1ccccc1C=O 62a_200009853537_200000210301 [0,0,0,1,0,0|1,0,2]=4 790 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200009853537_200025704644 [0,0,0,1,0,0|1,0,2]=4 791 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200025704644_200009853537 [0,0,0,1,0,0|1,0,2]=4 792 B11R1.47 C/C=C/C=C/COC1CCC1 34a_100016283227_100000749161 [0,0,0,1,0,0|2,0,1]=4 793 B11R1.99 C/C=C/C=C/COCC1CC1 34a_100016283227_100000742324 [0,0,0,1,0,0|2,0,1]=4 794 B11R1.99 CC=CC=CC=NNC1CC1 4a_100000701032_100000691131 [0,0,0,1,0,0|3,0,0]=4 795 B11R1.180 CCCCSc1ccsc1C 62a_100000210211_100000684487 [0,0,0,1,0,0|3,0,0]=4 796 B11R1.180 CCCCSc1ccsc1C 62a_100000684487_100000210210 [0,0,0,1,0,0|3,0,0]=4 797 B11R1.180 CCCCSc1cscc1Br 62a_100000210211_100010143727 [0,0,0,1,0,0|3,0,0]=4 798 B11R1.180 CCCCSc1cscc1Br 62a_100010143727_100000210210 [0,0,0,1,0,0|3,0,0]=4 799 B11R1.180 CCCCSc1cscc1C 62a_100000210211_100000759966 [0,0,0,1,0,0|3,0,0]=4 800 B11R1.180 CCCCSc1cscc1C 62a_100000759966_100000210210 [0,0,0,1,0,0|3,0,0]=4 801 B11R1.180 CCCCSc1sccc1Br 62a_100000210211_100012361411 [0,0,0,1,0,0|3,0,0]=4 802 B11R1.180 CCCCSc1sccc1Br 62a_100012361411_100000210210 [0,0,0,1,0,0|3,0,0]=4 803 B11R1.180 CCCCSc1sccc1C 62a_100000210211_100010247149 [0,0,0,1,0,0|3,0,0]=4 804 B11R1.180 CCCCSc1sccc1C 62a_100010247149_100000210210 [0,0,0,1,0,0|3,0,0]=4 805 B11R1.180 CCCNCc1cccn1C 270004a_100020643023_100000211633 [0,0,0,1,0,0|3,0,0]=4 806 B11R1.180 CCCNCc1cccn1C 34a_100011219357_100000210303 [0,0,0,1,0,0|3,0,0]=4 807 B11R1.180 CCCNCc1ccsc1Br 207a_100020643023_100009816921 [0,0,0,1,0,0|3,0,0]=4 808 B11R1.180 CCCNCc1ccsc1Br 2230a_100000727803_100000210303 [0,0,0,1,0,0|3,0,0]=4 809 B11R1.180 CCCNCc1ccsc1Br 270004a_100020643023_100009816921 [0,0,0,1,0,0|3,0,0]=4 810 B11R1.180 CCCNCc1ccsc1Br 34a_100000727803_100000210303 [0,0,0,1,0,0|3,0,0]=4 811 B11R1.180 CCCNCc1ccsc1Cl 207a_100020643023_100000089901 [0,0,0,1,0,0|3,0,0]=4 812 B11R1.180 CCCNCc1ccsc1Cl 270004a_100020643023_100000089901 [0,0,0,1,0,0|3,0,0]=4 813 B11R1.180 CCCNCc1cscc1Br 207a_100020643023_100000685484 [0,0,0,1,0,0|3,0,0]=4 814 B11R1.180 CCCNCc1cscc1Br 270004a_100020643023_100000685484 [0,0,0,1,0,0|3,0,0]=4 815 B11R1.180 CCCNCc1occc1Br 270004a_100020643023_100000756499 [0,0,0,1,0,0|3,0,0]=4 816 B11R1.180 CCCNCc1occc1C 207a_100020643023_100000763527 [0,0,0,1,0,0|3,0,0]=4 817 B11R1.180 CCCNCc1occc1C 270004a_100020643023_100000763527 [0,0,0,1,0,0|3,0,0]=4 818 B11R1.180 CCCNCc1sccc1Br 207a_100020643023_100000766043 [0,0,0,1,0,0|3,0,0]=4 819 B11R1.180 CCCNCc1sccc1Br 270004a_100020643023_100000766043 [0,0,0,1,0,0|3,0,0]=4 820 B11R1.180 CCCNCc1sccc1C 207a_100020643023_100000210881 [0,0,0,1,0,0|3,0,0]=4 821 B11R1.180 CCCNCc1sccc1C 2230a_100000238519_100000210303 [0,0,0,1,0,0|3,0,0]=4 822 B11R1.180 CCCNCc1sccc1C 270004a_100020643023_100000210881 [0,0,0,1,0,0|3,0,0]=4 823 B11R1.180 CCCNCc1sccc1C 34a_100000238519_100000210303 [0,0,0,1,0,0|3,0,0]=4 824 B11R1.180 CCCNCc1sccc1Cl 207a_100020643023_100000722334 [0,0,0,1,0,0|3,0,0]=4 825 B11R1.180 CCCNCc1sccc1Cl 2230a_100011934584_100000210303 [0,0,0,1,0,0|3,0,0]=4 826 B11R1.180 CCCNCc1sccc1Cl 270004a_100020643023_100000722334 [0,0,0,1,0,0|3,0,0]=4 827 B11R1.180 CCCNCc1sccc1Cl 34a_100011934584_100000210303 [0,0,0,1,0,0|3,0,0]=4 828 B11R1.180 CCCOCC1=CCCC1=O 34a_100000087531_100000210303 [0,0,0,1,0,0|1,0,2]=4 829 B11R1.180 CCCOCc1ccoc1C 34a_100011219433_100000210303 [0,0,0,1,0,0|3,0,0]=4 830 B11R1.180 CCCOCc1ccoc1C 7a_100011219433_100000210303 [0,0,0,1,0,0|3,0,0]=4 831 B11R1.180 CCCOCc1ccsc1Br 34a_100000210258_100009814289 [0,0,0,1,0,0|3,0,0]=4 832 B11R1.180 CCCOCc1ccsc1Br 34a_100009816922_100000210303 [0,0,0,1,0,0|3,0,0]=4 833 B11R1.180 CCCOCc1ccsc1Br 7a_100009816922_100000210303 [0,0,0,1,0,0|3,0,0]=4 834 B11R1.180 CCCOCc1ccsc1Cl 34a_100000210258_100010167017 [0,0,0,1,0,0|3,0,0]=4 835 B11R1.180 CCCOCc1cscc1Br 34a_100000724555_100000210303 [0,0,0,1,0,0|3,0,0]=4 836 B11R1.180 CCCOCc1occc1C 34a_100011273948_100000210303 [0,0,0,1,0,0|3,0,0]=4 837 B11R1.180 CCCOCc1occc1C 7a_100011273948_100000210303 [0,0,0,1,0,0|3,0,0]=4 838 B11R1.180 CCCOCc1sccc1Br 34a_100000702026_100000210303 [0,0,0,1,0,0|3,0,0]=4 839 B11R1.180 CCCOCc1sccc1C 34a_100000238368_100000210303 [0,0,0,1,0,0|3,0,0]=4 840 B11R1.180 CCCOCc1sccc1C 7a_100000238368_100000210303 [0,0,0,1,0,0|3,0,0]=4 841 B11R1.180 CCCOCc1sccc1Cl 34a_100000722387_100000210303 [0,0,0,1,0,0|3,0,0]=4 842 B11R1.180 CCCOCc1sccc1Cl 7a_100000722387_100000210303 [0,0,0,1,0,0|3,0,0]=4 843 B11R1.180 CCCSCc1ccsc1Br 62a_100000210303_100009814289 [0,0,0,1,0,0|3,0,0]=4 844 B11R1.180 CCCSCc1ccsc1Br 62a_100009814289_100000210303 [0,0,0,1,0,0|3,0,0]=4 845 B11R1.180 CCCSCc1ccsc1Cl 62a_100000210303_100010167017 [0,0,0,1,0,0|3,0,0]=4 846 B11R1.180 CCCSCc1ccsc1Cl 62a_100010167017_100000210303 [0,0,0,1,0,0|3,0,0]=4 847 B11R1.180 CCNCCc1cccn1C 2230a_100011251756_100000210202 [0,0,0,1,0,0|3,0,0]=4 848 B11R1.180 CCNCCc1cccn1C 34a_100011251756_100000210202 [0,0,0,1,0,0|3,0,0]=4 849 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [2,0,0,0,0,0|1,0,1]=4 850 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [2,0,0,0,0,0|1,0,1]=4 851 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [2,0,0,0,0,0|1,0,1]=4 852 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [2,0,0,0,0,0|1,0,1]=4 853 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [2,0,0,0,0,0|1,0,1]=4 854 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [2,0,0,0,0,0|1,0,1]=4 855 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [2,0,0,0,0,0|1,0,1]=4 856 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [2,0,0,0,0,0|1,0,1]=4 857 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [2,0,0,0,0,0|1,0,1]=4 858 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [2,0,0,0,0,0|1,0,1]=4 859 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [2,0,0,0,0,0|1,0,1]=4 860 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [2,0,0,0,0,0|1,0,1]=4 861 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [2,0,0,0,0,0|1,0,1]=4 862 B10R0.1 C=CCC(=O)C=CCCCC 1458a_100016266645_100000210623 [1,1,0,0,0,0|0,0,2]=4 863 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [1,1,0,0,0,0|0,0,2]=4 864 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [1,1,0,0,0,0|0,0,2]=4 865 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [1,1,0,0,0,0|1,0,1]=4 866 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [1,1,0,0,0,0|1,0,1]=4 867 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [1,1,0,0,0,0|1,0,1]=4 868 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [1,1,0,0,0,0|1,0,1]=4 869 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [1,1,0,0,0,0|0,0,2]=4 870 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [1,1,0,0,0,0|1,0,1]=4 871 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [1,1,0,0,0,0|1,0,1]=4 872 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [1,1,0,0,0,0|1,0,1]=4 873 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [1,1,0,0,0,0|1,0,1]=4 874 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [1,1,0,0,0,0|1,0,1]=4 875 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [1,1,0,0,0,0|1,0,1]=4 876 B10R0.1 CCCCCNC(=O)C=CBr 1626a_100000209983_100016273825 [1,1,0,0,0,0|2,0,0]=4 877 B10R0.1 CCCCCNC(=O)C=CBr 240690a_100000209983_100016273825 [1,1,0,0,0,0|2,0,0]=4 878 B10R0.1 CCCCCNC(=O)C=CCl 11a_100000209983_200016279998 [1,1,0,0,0,0|2,0,0]=4 879 B10R0.1 CCCCCNC(=O)C=CCl 1626a_100000209983_200016279998 [1,1,0,0,0,0|2,0,0]=4 880 B10R0.1 CCCCCNC(=O)C=CCl 240690a_100000209983_200016279998 [1,1,0,0,0,0|2,0,0]=4 881 B10R0.1 CCCCCNC(=O)C=CI 1626a_100000209983_100016256311 [1,1,0,0,0,0|2,0,0]=4 882 B10R0.4 C/C=C/C=C/COCC(C)C 34a_100016283227_100000210624 [1,1,0,0,0,0|1,0,1]=4 883 B10R0.4 C/C=C/C=C/COCC(C)O 34a_100016283227_100011218427 [1,1,0,0,0,0|1,0,1]=4 884 B10R0.4 C/C=C/C=C/COC[C@@H](C)O 34a_100016283227_100009817552 [1,1,0,0,0,0|1,0,1]=4 885 B10R0.4 C=C(C)C=NNCCCCC 4a_100000694160_100000210575 [1,1,0,0,0,0|2,0,0]=4 886 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [1,1,0,0,0,0|0,0,1]=3 887 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [1,1,0,0,0,0|0,0,1]=3 888 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [1,1,0,0,0,0|2,0,0]=4 889 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [1,1,0,0,0,0|0,0,1]=3 890 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [1,1,0,0,0,0|0,0,1]=3 891 B10R0.74 C/C=C/C=C/COC(C)CC 34a_100016283227_100011215416 [1,1,0,0,0,0|1,0,1]=4 892 B10R0.74 C=CC(=NNCCCCC)C 4a_100000694160_200015361842 [1,1,0,0,0,0|2,0,0]=4 893 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [1,1,0,0,0,0|0,0,2]=4 894 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [1,1,0,0,0,0|1,0,1]=4 895 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [1,1,0,0,0,0|1,0,1]=4 896 B10R0.74 C=CC(=O)NNCCCCC 22a_100000694160_100000185746 [1,1,0,0,0,0|2,0,0]=4 897 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [1,1,0,0,0,0|0,0,2]=4 898 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [1,1,0,0,0,0|1,0,1]=4 899 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [1,1,0,0,0,0|1,0,1]=4 900 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [1,1,0,0,0,0|1,0,1]=4 901 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [1,1,0,0,0,0|1,0,1]=4 902 B10R0.91 C#CCCCC(=O)C=CC=C 1458a_100016291481_100000731252 [1,1,0,0,0,0|0,0,2]=4 903 B10R0.91 C/C=C/C=CC(=O)CCCC 1458a_100000185730_100000210211 [1,1,0,0,0,0|1,0,0]=3 904 B10R0.91 C/C=C/C=CC(=O)CCCF 1458a_100000185730_100011934791 [1,1,0,0,0,0|2,0,0]=4 905 B10R0.91 C/C=C/C=CC(=O)CCCO 1458a_100000185730_100011215043 [1,1,0,0,0,0|2,0,0]=4 906 B10R0.91 C/C=C/C=CC(=O)CCOC 1458a_100000185730_100000233755 [1,1,0,0,0,0|2,0,0]=4 907 B10R0.91 C/C=C/C=CC(=O)CCSC 1458a_100000185730_100000751147 [1,1,0,0,0,0|2,0,0]=4 908 B10R0.91 C/C=C/C=CC(=O)NCCC 11a_100020643023_100000185730 [1,1,0,0,0,0|2,0,0]=4 909 B10R0.91 C/C=C/C=CC(=O)NCCC 1626a_100020643023_100000185730 [1,1,0,0,0,0|2,0,0]=4 910 B10R0.91 C/C=C/C=CC(=O)NCCC 240690a_100020643023_100000185730 [1,1,0,0,0,0|2,0,0]=4 911 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [1,1,0,0,0,0|0,0,2]=4 912 B10R0.91 C=CC=CC(=O)C/C=C\CC 1458a_100016291481_100103147603 [1,1,0,0,0,0|0,0,2]=4 913 B10R0.91 C=CC=CC(=O)CC#CCC 1458a_100016291481_100009813939 [1,1,0,0,0,0|0,0,2]=4 914 B10R0.91 C=CC=CC(=O)CCCC#N 1458a_100016291481_100000211468 [1,1,0,0,0,0|1,0,1]=4 915 B10R0.91 C=CC=CC(=O)CCCC=C 1458a_100016291481_100000757094 [1,1,0,0,0,0|0,0,2]=4 916 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [1,1,0,0,0,0|0,0,0]=2 917 B10R0.91 C=CC=CC(=O)CCCCF 1458a_100016291481_100000729493 [1,1,0,0,0,0|1,0,0]=3 918 B10R0.91 C=CC=CC(=O)CCCCO 1458a_100016291481_100000210776 [1,1,0,0,0,0|1,0,0]=3 919 B10R0.91 C=CC=CC(=O)CCCOC 1458a_100016291481_100000740836 [1,1,0,0,0,0|1,0,0]=3 920 B10R0.91 C=CC=CC(=O)CCOCC 1458a_100016291481_100011215890 [1,1,0,0,0,0|1,0,0]=3 921 B10R0.91 C=CC=CC(=O)CCSCC 1458a_100016291481_100000757381 [1,1,0,0,0,0|1,0,0]=3 922 B10R0.91 C=CC=CC(=O)NCCCC 1626a_100000102301_100016291481 [1,1,0,0,0,0|1,0,0]=3 923 B10R0.91 C=CC=CC(=O)NCCCF 1626a_100015189416_100016291481 [1,1,0,0,0,0|2,0,0]=4 924 B10R0.91 C=CC=CC(=O)NCCOC 1626a_100000209980_100016291481 [1,1,0,0,0,0|2,0,0]=4 925 B10R0.91 C=CC=CC(=O)NCCSC 1626a_100020590264_100016291481 [1,1,0,0,0,0|2,0,0]=4 926 B10R0.91 C=CC=CC(=O)NNCCC 22a_100000740057_100016291481 [1,1,0,0,0,0|2,0,0]=4 927 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [1,1,0,0,0,0|0,0,2]=4 928 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [1,1,0,0,0,0|0,0,2]=4 929 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [1,1,0,0,0,0|1,0,1]=4 930 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [1,1,0,0,0,0|1,0,1]=4 931 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [1,1,0,0,0,0|1,0,1]=4 932 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [1,1,0,0,0,0|0,0,2]=4 933 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [1,1,0,0,0,0|0,0,2]=4 934 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [1,1,0,0,0,0|0,0,2]=4 935 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [1,1,0,0,0,0|1,0,1]=4 936 B12R0.1 C/C=C/C=C/COCC(C)CCC 34a_100016283227_100011216630 [0,2,0,0,0,0|1,0,1]=4 937 B12R0.1 C=CCC(=O)C/C=C/CCCCC 1458a_100020675968_100000210623 [0,2,0,0,0,0|1,0,1]=4 938 B12R0.1 C=CCC(=O)C=CCCCCCC 1458a_200015324643_100000210623 [0,2,0,0,0,0|1,0,1]=4 939 B12R0.5 C/C=C/C=C/COCCCCCC 34a_100016283227_100000210314 [0,2,0,0,0,0|1,0,1]=4 940 B12R0.5 C/C=C/C=C/COCCCCCF 34a_100016283227_100000729378 [0,2,0,0,0,0|1,0,1]=4 941 B12R0.5 C/C=C/C=C/COCCCCCO 34a_100016283227_100000746330 [0,2,0,0,0,0|1,0,1]=4 942 B12R0.5 C/C=C/C=C/COCCCCOC 34a_100016283227_100000755781 [0,2,0,0,0,0|1,0,1]=4 943 B12R0.5 C/C=C/C=C/COCCCOCC 34a_100016283227_100012232248 [0,2,0,0,0,0|1,0,1]=4 944 B12R0.5 C/C=C/C=C/COCCOCCC 34a_100016283227_100011215938 [0,2,0,0,0,0|1,0,1]=4 945 B12R0.5 C/C=C/C=C/COCOCCCC 34a_100016283227_100011995733 [0,2,0,0,0,0|1,0,1]=4 946 B12R0.5 C/C=C/COC/C=C/CCCCC 34a_100016258190_100102629194 [0,2,0,0,0,0|1,0,1]=4 947 B12R0.5 C/C=C/COC/C=C/CCCCC 7a_100016258190_100102629194 [0,2,0,0,0,0|1,0,1]=4 948 B12R0.5 CC/C=C/C/C=C/CCOCCC 34a_200016273837_100000210303 [0,2,0,0,0,0|1,0,1]=4 949 B12R0.5 CC/C=C/C/C=C/CCOCCC 7a_200016273837_100000210303 [0,2,0,0,0,0|1,0,1]=4 950 B12R0.5 CC=CC=CC=NNCCCCC 4a_100000694160_100000691131 [0,2,0,0,0,0|1,0,0]=3 951 B12R0.5 CC=CC=CC=NNCCOCC 4a_100000732670_100000691131 [0,2,0,0,0,0|2,0,0]=4 952 B12R0.5 CC=CCOC/C=C/CCCCC 34a_100016258190_100000070051 [0,2,0,0,0,0|1,0,1]=4 953 B12R0.5 CC=CCOC/C=C/CCCCC 7a_100016258190_100000070051 [0,2,0,0,0,0|1,0,1]=4 954 B12R0.5 CCC/C=C/C=C/COCCCC 34a_100016294078_100000210210 [0,2,0,0,0,0|1,0,1]=4 955 B12R0.5 CCC=CC=CC=NNCCCC 4a_100025702795_100103038579 [0,2,0,0,0,0|2,0,0]=4 956 B12R0.5 CCCCC/C=C/C=C/COCC 34a_200014065772_100000210202 [0,2,0,0,0,0|0,0,2]=4 957 B12R0.5 CCCCC/C=C/C=C/COCC 7a_200014065772_100000210202 [0,2,0,0,0,0|0,0,2]=4 958 B12R0.5 CCCCC/C=C/C=C/COCF 34a_200014065772_100015361967 [0,2,0,0,0,0|0,0,2]=4 959 B12R0.5 CCCCC/C=C/C=C/COCF 7a_200014065772_100015361967 [0,2,0,0,0,0|0,0,2]=4 960 B12R0.5 CCCCC/C=C\CCOCC=O 34a_100016277358_200009817547 [0,2,0,0,0,0|0,0,2]=4 961 B12R0.5 CCCCC/C=C\CCOCC=O 7a_100016277358_200015260668 [0,2,0,0,0,0|0,0,2]=4 962 B12R0.5 CCCCCC/C=C/C=C/COC 34a_200028454808_200000210301 [0,2,0,0,0,0|0,0,2]=4 963 B12R0.5 CCCCCC/C=C/C=C/COC 7a_200028454808_200000210301 [0,2,0,0,0,0|0,0,2]=4 964 B12R0.5 CCCCCC/C=C/C=C/CO[13CH3] 34a_200028454808_200025704644 [0,2,0,0,0,0|0,0,2]=4 965 B12R0.5 CCCCCC/C=C/C=C/CO[13CH3] 7a_200028454808_200025704644 [0,2,0,0,0,0|0,0,2]=4 966 B12R0.5 CCCCCC/C=C/COCC=O 34a_200016276170_200009817547 [0,2,0,0,0,0|0,0,2]=4 967 B12R0.5 CCCCCC/C=C/COCC=O 7a_200016276170_200015260668 [0,2,0,0,0,0|0,0,2]=4 968 B12R0.47 C#CCCCCC(=O)C=C/C=C/C 1458a_100000185730_100010269958 [0,2,0,0,0,0|1,0,1]=4 969 B12R0.47 C/C=C/C=CC(=NNCCCC)C 4a_100025702795_100016268696 [0,2,0,0,0,0|2,0,0]=4 970 B12R0.47 C/C=C/C=CC(=O)CC/C=C\CC 1458a_100000185730_100015370543 [0,2,0,0,0,0|1,0,1]=4 971 B12R0.47 C/C=C/C=CC(=O)CCCCC#N 1458a_100000185730_100000211819 [0,2,0,0,0,0|1,0,1]=4 972 B12R0.47 C/C=C/C=CC(=O)CCCCCC 1458a_100000185730_100000210757 [0,2,0,0,0,0|1,0,0]=3 973 B12R0.47 C/C=C/C=CC(=O)CCCCCF 1458a_100000185730_100000729378 [0,2,0,0,0,0|1,0,0]=3 974 B12R0.47 C/C=C/C=CC(=O)CCCCCO 1458a_100000185730_100000746330 [0,2,0,0,0,0|1,0,0]=3 975 B12R0.47 C/C=C/C=CC(=O)CCCCOC 1458a_100000185730_100000755781 [0,2,0,0,0,0|1,0,0]=3 976 B12R0.47 C/C=C/C=CC(=O)CCCOCC 1458a_100000185730_100012232248 [0,2,0,0,0,0|1,0,0]=3 977 B12R0.47 C/C=C/C=CC(=O)CCOCCC 1458a_100000185730_100011215938 [0,2,0,0,0,0|1,0,0]=3 978 B12R0.47 C/C=C/C=CC(=O)CCOCCO 1458a_100000185730_100011215305 [0,2,0,0,0,0|2,0,0]=4 979 B12R0.47 C/C=C/C=CC(=O)COCCCC 1458a_100000185730_100011995733 [0,2,0,0,0,0|1,0,0]=3 980 B12R0.47 C/C=C/C=CC(=O)NCCCCC 11a_100000209983_100000185730 [0,2,0,0,0,0|1,0,0]=3 981 B12R0.47 C/C=C/C=CC(=O)NCCCCC 1626a_100000209983_100000185730 [0,2,0,0,0,0|1,0,0]=3 982 B12R0.47 C/C=C/C=CC(=O)NCCCCC 240690a_100000209983_100000185730 [0,2,0,0,0,0|1,0,0]=3 983 B12R0.47 C/C=C/C=CC(=O)NCCCCO 240690a_100000750430_100000185730 [0,2,0,0,0,0|2,0,0]=4 984 B12R0.47 C/C=C/C=CC(=O)NCCCOC 1626a_100150723488_100000185730 [0,2,0,0,0,0|2,0,0]=4 985 B12R0.47 C/C=C/C=CC(=O)NCCCOC 240690a_100150723488_100000185730 [0,2,0,0,0,0|2,0,0]=4 986 B12R0.47 C/C=C/C=CC(=O)NCCCSC 11a_100000749238_100000185730 [0,2,0,0,0,0|2,0,0]=4 987 B12R0.47 C/C=C/C=CC(=O)NCCCSC 1626a_100000749238_100000185730 [0,2,0,0,0,0|2,0,0]=4 988 B12R0.47 C/C=C/C=CC(=O)NCCCSC 240690a_100000749238_100000185730 [0,2,0,0,0,0|2,0,0]=4 989 B12R0.47 C/C=C/C=CC(=O)NCCOCC 11a_100011200944_100000185730 [0,2,0,0,0,0|2,0,0]=4 990 B12R0.47 C/C=C/C=CC(=O)NCCOCC 1626a_102516460346_100000185730 [0,2,0,0,0,0|2,0,0]=4 991 B12R0.47 C/C=C/C=CC(=O)NCCOCC 240690a_100011200944_100000185730 [0,2,0,0,0,0|2,0,0]=4 992 B12R0.47 C/C=C/C=CC(=O)NCCSCC 11a_100000106463_100000185730 [0,2,0,0,0,0|2,0,0]=4 993 B12R0.47 C/C=C/C=CC(=O)NCCSCC 1626a_100000106463_100000185730 [0,2,0,0,0,0|2,0,0]=4 994 B12R0.47 C/C=C/C=CC(=O)NCCSCC 240690a_100000106463_100000185730 [0,2,0,0,0,0|2,0,0]=4 995 B12R0.47 C/C=C/C=CC(=O)NNCCCC 22a_100025702795_100000185730 [0,2,0,0,0,0|2,0,0]=4 996 B12R0.47 C=CCCCCC(=O)C=C/C=C/C 1458a_100000185730_100011215482 [0,2,0,0,0,0|1,0,1]=4 997 B12R0.206 C/C=C/C=C/COC(C)CCCC 34a_100016283227_200011215066 [0,2,0,0,0,0|1,0,1]=4 998 B12R0.206 C/C=C/CC(=O)C=CCCCCC 1458a_100016263427_100102629194 [0,2,0,0,0,0|1,0,0]=3 999 B12R0.206 C=CC=CC(=O)CCCCCCC 1458a_100016291481_100000210614 [0,2,0,0,0,0|1,0,1]=4 1000 B12R0.206 C=CC=CC(=O)CCCCCCF 1458a_100016291481_100015922095 [0,2,0,0,0,0|1,0,1]=4 1001 B12R0.206 C=CC=CC(=O)CCCCCCO 1458a_100016291481_100000766143 [0,2,0,0,0,0|1,0,1]=4 1002 B12R0.206 C=CC=CC(=O)CCOCCCC 1458a_100016291481_100000743108 [0,2,0,0,0,0|1,0,1]=4 1003 B12R0.206 C=CC=CC(=O)NCCCCCC 1626a_100000210581_100016291481 [0,2,0,0,0,0|1,0,1]=4 1004 B12R0.206 C=CC=CC(=O)NCCCOCC 1626a_100000210961_100016291481 [0,2,0,0,0,0|2,0,0]=4 1005 B12R0.206 C=CC=CC(=O)NCCOCCC 1626a_100161115042_100016291481 [0,2,0,0,0,0|2,0,0]=4 1006 B12R0.206 C=CC=CC(=O)NNCCCCC 22a_100000694160_100016291481 [0,2,0,0,0,0|2,0,0]=4 1007 B12R0.206 C=CCCC(=O)C=CCCCCC 1458a_100016263427_100000754431 [0,2,0,0,0,0|1,0,1]=4 1008 B12R0.206 C=CCNC(=O)C=CCCCCC 1626a_100020586998_100016263427 [0,2,0,0,0,0|1,0,1]=4 1009 B12R0.206 C=CCNC(=O)C=CCCCCC 240690a_100020586998_100016263427 [0,2,0,0,0,0|1,0,1]=4 1010 B12R0.206 CC=CCC(=O)C=CCCCCC 1458a_100016263427_100000070051 [0,2,0,0,0,0|1,0,0]=3 1011 B12R0.234 C/C=C/C=C/COCCCC(C)C 34a_100016283227_100011214892 [0,2,0,0,0,0|1,0,1]=4 1012 B12R0.234 C/C=C/C=C/COCCCC(C)O 34a_100016283227_200000718107 [0,2,0,0,0,0|1,0,1]=4 1013 B12R0.234 CCCCC/C=C/COCC(=O)N 34a_100016258190_100000187820 [0,2,0,0,0,0|0,0,2]=4 1014 B12R0.234 CCCCC/C=C/COCC(=O)N 7a_100016258190_100000187820 [0,2,0,0,0,0|0,0,2]=4 1015 B12R0.234 CCCCC/C=C/COCC(=O)[O-] 34a_100016258190_100020667443 [0,2,0,0,0,0|0,0,2]=4 1016 B12R0.234 CCCCCC=CC=NNC(=O)C 4a_100000189765_100016268540 [0,2,0,0,0,0|1,0,0]=3 1017 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [0,2,0,0,0,0|0,0,2]=4 1018 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [0,2,0,0,0,0|0,0,2]=4 1019 B12R0.248 CC=CC=CC=NNCC(O)CC 4a_100015206393_100000691131 [0,2,0,0,0,0|2,0,0]=4 1020 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [0,2,0,0,0,0|0,0,2]=4 1021 B12R0.248 CCCCC/C=C/CCC(=O)CF 1458a_200015255902_100015361967 [0,2,0,0,0,0|0,0,2]=4 1022 B12R0.248 CCCCC/C=C/CCC(=O)NC 11a_106832991635_200015255902 [0,2,0,0,0,0|0,0,2]=4 1023 B12R0.248 CCCCC/C=C/CCC(=O)NC 1626a_100102657272_200015255902 [0,2,0,0,0,0|0,0,2]=4 1024 B12R0.248 CCCCC/C=C/CCC(=O)NC 240690a_100102657272_200015255902 [0,2,0,0,0,0|0,0,2]=4 1025 B12R0.248 CCCCC/C=C/CCC(=O)NC 527a_100102657272_200015255902 [0,2,0,0,0,0|0,0,2]=4 1026 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [0,2,0,0,0,0|0,0,2]=4 1027 B12R0.248 CCCCCC/C=C/CC(=O)CF 1458a_100020681715_100015361967 [0,2,0,0,0,0|0,0,2]=4 1028 B12R0.248 CCCCCC/C=C/CC(=O)NC 11a_106832991635_100020681715 [0,2,0,0,0,0|0,0,2]=4 1029 B12R0.248 CCCCCC/C=C/CC(=O)NC 1626a_100102657272_100020681715 [0,2,0,0,0,0|0,0,2]=4 1030 B12R0.248 CCCCCC/C=C/CC(=O)NC 240690a_100102657272_100020681715 [0,2,0,0,0,0|0,0,2]=4 1031 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [0,2,0,0,0,0|0,0,2]=4 1032 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [0,2,0,0,0,0|0,0,2]=4 1033 B12R0.248 CCCCCCCC=CC(=O)NC 11a_106832991635_200015332781 [0,2,0,0,0,0|0,0,2]=4 1034 B12R0.248 CCCCCCCC=CC(=O)NC 1626a_100102657272_200015332781 [0,2,0,0,0,0|0,0,2]=4 1035 B12R0.248 CCCCCCCC=CC(=O)NC 240690a_100102657272_200015332781 [0,2,0,0,0,0|0,0,2]=4 1036 B12R0.248 CCCCCNC/C=C/C(=O)OC 2230a_100000209983_100000742655 [0,2,0,0,0,0|1,0,1]=4 1037 B12R0.248 CCCCCOC/C=C/C(=O)OC 34a_100000210253_100000742655 [0,2,0,0,0,0|1,0,1]=4 1038 B12R0.248 CCCCCOC/C=C/C(=O)OC 7a_100000210253_100000742655 [0,2,0,0,0,0|1,0,1]=4 1039 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000210326_100000742655 [0,2,0,0,0,0|1,0,1]=4 1040 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210326 [0,2,0,0,0,0|1,0,1]=4 1041 B12R0.248 CCCCNN=CC=CC(=O)OC 4a_100025702795_100016254430 [0,2,0,0,0,0|2,0,0]=4 1042 B12R0.4 C=C(C)CC(=O)C=CCCCCC 1458a_100016263427_100000748629 [0,2,0,0,0,0|1,0,1]=4 1043 B12R0.4 C=C(F)CC(=O)C=CCCCCC 1458a_100016263427_100009893438 [0,2,0,0,0,0|1,0,1]=4 1044 B12R0.4 CCCCCC=CC(=O)CC(=O)N 1458a_100016263427_100000187820 [0,2,0,0,0,0|0,0,1]=3 1045 B12R0.4 CCCCCC=CC(=O)CC(=O)[O-] 1458a_100016263427_100020667443 [0,2,0,0,0,0|0,0,1]=3 1046 B12R0.4 CCCCCC=CC(=O)C[N+](=O)[O-] 1458a_100016263427_100000761209 [0,2,0,0,0,0|1,0,1]=4 1047 B12R0.239 C/C=C/C=CC(=O)CC(=O)CCC 1458a_100000185730_100000747444 [0,2,0,0,0,0|1,0,1]=4 1048 B12R0.239 C/C=C/C=CC(=O)CC(C)CCC 1458a_100000185730_100011216630 [0,2,0,0,0,0|1,0,0]=3 1049 B12R0.239 C/C=C/C=CC(=O)NC(C)CCC 11a_100000741246_100000185730 [0,2,0,0,0,0|2,0,0]=4 1050 B12R0.239 C/C=C/C=CC(=O)NC(C)CCC 1626a_100000741246_100000185730 [0,2,0,0,0,0|2,0,0]=4 1051 B12R0.239 C/C=C/C=CC(=O)NC(C)CCC 240690a_100000741246_100000185730 [0,2,0,0,0,0|2,0,0]=4 1052 B12R0.239 CC=CC(=O)CC(=O)CCCCC 1458a_100000210699_200012276598 [0,2,0,0,0,0|1,0,1]=4 1053 B12R0.239 CCCCCC(=O)CC(=O)C=CBr 1458a_100016273825_200012276598 [0,2,0,0,0,0|1,0,1]=4 1054 B12R0.239 CCCCCC(=O)CC(=O)C=CCl 1458a_200016279998_200012276598 [0,2,0,0,0,0|1,0,1]=4 1055 B12R0.239 CCCCCC(=O)CC(=O)C=CI 1458a_100016256311_200012276598 [0,2,0,0,0,0|1,0,1]=4 1056 B12R0.102 C=CC=CC(=O)NCCC(C)CC 1626a_100020591266_100016291481 [0,2,0,0,0,0|2,0,0]=4 1057 B12R0.142 C/C=C/C=CC(=O)NCC(C)CC 11a_100020588543_100000185730 [0,2,0,0,0,0|2,0,0]=4 1058 B12R0.142 C/C=C/C=CC(=O)NCC(C)CC 1626a_100020588543_100000185730 [0,2,0,0,0,0|2,0,0]=4 1059 B12R0.142 C/C=C/C=CC(=O)NCC(C)CC 240690a_100020588543_100000185730 [0,2,0,0,0,0|2,0,0]=4 1060 B12R0.142 C/C=C/C=CC(=O)NCC(O)CC 11a_100011218483_100000185730 [0,2,0,0,0,0|2,0,0]=4 1061 B12R0.142 C/C=C/C=CC(=O)NCC(O)CC 240690a_100011218483_100000185730 [0,2,0,0,0,0|2,0,0]=4 1062 B12R0.142 CC=C(C)C=CC(=O)CCCCC 1458a_100000692105_100000210326 [0,2,0,0,0,0|1,0,0]=3 1063 B12R0.142 CC=C(C)C=CC(=O)CCCCF 1458a_100000692105_100000729493 [0,2,0,0,0,0|2,0,0]=4 1064 B12R0.142 CC=C(C)C=CC(=O)CCCCO 1458a_100000692105_100000210776 [0,2,0,0,0,0|2,0,0]=4 1065 B12R0.142 CC=C(C)C=CC(=O)CCCOC 1458a_100000692105_100000740836 [0,2,0,0,0,0|2,0,0]=4 1066 B12R0.142 CC=C(C)C=CC(=O)CCOCC 1458a_100000692105_100011215890 [0,2,0,0,0,0|2,0,0]=4 1067 B12R0.142 CC=C(C)C=CC(=O)CCSCC 1458a_100000692105_100000757381 [0,2,0,0,0,0|2,0,0]=4 1068 B12R0.142 CC=C(C)C=CC(=O)NCCCC 1626a_100000102301_100000692105 [0,2,0,0,0,0|2,0,0]=4 1069 B12R0.142 CCCCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210326 [0,2,0,0,0,0|2,0,0]=4 1070 B12R0.251 CCCCCC=NNC(=O)C(=O)N 4a_100000211141_100000737632 [0,2,0,0,0,0|2,0,0]=4 1071 B12R0.95 C=CC=CC(=O)CCCCC(C)C 1458a_100016291481_100011216152 [0,2,0,0,0,0|1,0,1]=4 1072 B12R0.95 C=CC=CC(=O)NCCCC(C)C 1626a_200000737386_100016291481 [0,2,0,0,0,0|2,0,0]=4 1073 B12R0.103 C=CC=CC(=O)NC(C)CCCC 1626a_100000126638_100016291481 [0,2,0,0,0,0|2,0,0]=4 1074 B12R0.648 C/C=C/C=CC(=O)C(C)CCCC 1458a_100000185730_200011215066 [0,2,0,0,0,0|1,0,0]=3 1075 B12R0.648 C/C=C/C=CC(=O)N(C)CCCC 11a_100000207549_100000185730 [0,2,0,0,0,0|2,0,0]=4 1076 B12R0.648 C/C=C/C=CC(=O)N(C)CCCC 1626a_100000207549_100000185730 [0,2,0,0,0,0|2,0,0]=4 1077 B12R0.648 C/C=C/C=CC(=O)N(C)CCCC 240690a_100000207549_100000185730 [0,2,0,0,0,0|2,0,0]=4 1078 B12R0.648 C=CC=CC(=O)C(C)CCCCC 1458a_100016291481_200011218191 [0,2,0,0,0,0|1,0,1]=4 1079 B12R0.648 C=CC=CC(=O)N(C)CCCCC 1626a_100000223495_100016291481 [0,2,0,0,0,0|2,0,0]=4 1080 B12R0.233 C/C=C/C=CC(=O)CCCC(=O)C 1458a_100000185730_100011215641 [0,2,0,0,0,0|1,0,1]=4 1081 B12R0.233 C/C=C/C=CC(=O)CCCC(C)C 1458a_100000185730_100011214892 [0,2,0,0,0,0|1,0,0]=3 1082 B12R0.233 C/C=C/C=CC(=O)CCCC(C)O 1458a_100000185730_200000718107 [0,2,0,0,0,0|1,0,0]=3 1083 B12R0.233 C/C=C/C=CC(=O)CCCN(C)C 1458a_100000185730_100000695564 [0,2,0,0,0,0|2,0,0]=4 1084 B12R0.233 C/C=C/C=CC(=O)CCOC(C)C 1458a_100000185730_100000211751 [0,2,0,0,0,0|2,0,0]=4 1085 B12R0.233 C/C=C/C=CC(=O)CCSC(C)C 1458a_100000185730_100000730970 [0,2,0,0,0,0|2,0,0]=4 1086 B12R0.233 C/C=C/C=CC(=O)NCCC(C)C 11a_100000210545_100000185730 [0,2,0,0,0,0|2,0,0]=4 1087 B12R0.233 C/C=C/C=CC(=O)NCCC(C)C 1626a_100000210545_100000185730 [0,2,0,0,0,0|2,0,0]=4 1088 B12R0.233 C/C=C/C=CC(=O)NCCC(C)C 240690a_100000210545_100000185730 [0,2,0,0,0,0|2,0,0]=4 1089 B12R0.233 C/C=C/C=CC(=O)NCCC(C)O 240690a_200000755665_100000185730 [0,2,0,0,0,0|2,0,0]=4 1090 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,0,0,1,0,0|0,0,1]=3 1091 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [1,0,0,1,0,0|1,0,0]=3 1092 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [1,0,0,1,0,0|1,0,1]=4 1093 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [1,0,0,1,0,0|2,0,0]=4 1094 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [1,0,0,1,0,0|1,0,1]=4 1095 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [1,0,0,1,0,0|2,0,0]=4 1096 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [1,0,0,1,0,0|2,0,0]=4 1097 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [1,0,0,1,0,0|2,0,0]=4 1098 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,0,0,1,0,0|1,0,1]=4 1099 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,0,0,1,0,0|1,0,1]=4 1100 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,0,0,1,0,0|1,0,1]=4 1101 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,0,0,1,0,0|1,0,1]=4 1102 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,0,0,1,0,0|1,0,1]=4 1103 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [1,0,0,1,0,0|2,0,0]=4 1104 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [1,0,0,1,0,0|2,0,0]=4 1105 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,0,0,1,0,0|1,0,1]=4 1106 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,0,0,1,0,0|1,0,1]=4 1107 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,0,0,1,0,0|1,0,1]=4 1108 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,0,0,1,0,0|1,0,1]=4 1109 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,0,0,1,0,0|1,0,1]=4 1110 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [1,0,0,1,0,0|2,0,0]=4 1111 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [1,0,0,1,0,0|2,0,0]=4 1112 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [1,0,0,1,0,0|2,0,0]=4 1113 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,0,0,1,0,0|1,0,1]=4 1114 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,0,0,1,0,0|1,0,1]=4 1115 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,0,0,1,0,0|1,0,1]=4 1116 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [1,0,0,1,0,0|2,0,0]=4 1117 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,0,0,1,0,0|1,0,1]=4 1118 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,0,0,1,0,0|1,0,1]=4 1119 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [1,0,0,1,0,0|2,0,0]=4 1120 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [1,0,0,1,0,0|2,0,0]=4 1121 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,0,0,1,0,0|1,0,1]=4 1122 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,0,0,1,0,0|1,0,1]=4 1123 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,0,0,1,0,0|1,0,1]=4 1124 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,0,0,1,0,0|1,0,1]=4 1125 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,0,0,1,0,0|1,0,1]=4 1126 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [1,0,0,1,0,0|2,0,0]=4 1127 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [1,0,0,1,0,0|2,0,0]=4 1128 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,0,0,1,0,0|1,0,1]=4 1129 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,0,0,1,0,0|1,0,1]=4 1130 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,0,0,1,0,0|1,0,1]=4 1131 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [1,0,0,1,0,0|2,0,0]=4 1132 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,0,0,1,0,0|1,0,1]=4 1133 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,0,0,1,0,0|1,0,1]=4 1134 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [1,0,0,1,0,0|2,0,0]=4 1135 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [1,0,0,1,0,0|2,0,0]=4 1136 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,0,0,1,0,0|1,0,1]=4 1137 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,0,0,1,0,0|1,0,1]=4 1138 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,0,0,1,0,0|1,0,1]=4 1139 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,0,0,1,0,0|1,0,1]=4 1140 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [1,0,0,1,0,0|2,0,0]=4 1141 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,0,0,1,0,0|1,0,1]=4 1142 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,0,0,1,0,0|1,0,1]=4 1143 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [1,0,0,1,0,0|2,0,0]=4 1144 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [1,0,0,1,0,0|2,0,0]=4 1145 B10R1.21 CCCC=Cc1ccco1 271570a_100016258520_100009814098 [1,0,0,1,0,0|0,0,2]=4 1146 B10R1.21 CCCC=Cc1cccs1 271570a_100016258520_100011215356 [1,0,0,1,0,0|0,1,1]=4 1147 B10R1.21 CCCCOc1ccsc1 34a_100000106738_100000210210 [1,0,0,1,0,0|2,0,0]=4 1148 B10R1.21 CCCCOc1ccsc1 7a_100000106738_100000210211 [1,0,0,1,0,0|2,0,0]=4 1149 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [1,0,0,1,0,0|1,0,1]=4 1150 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [1,0,0,1,0,0|1,0,1]=4 1151 B10R1.21 CCCCSc1cccs1 62a_100000210211_100011215356 [1,0,0,1,0,0|1,1,0]=4 1152 B10R1.21 CCCCSc1cccs1 62a_100011215356_100000210210 [1,0,0,1,0,0|1,1,0]=4 1153 B10R1.21 CCCCSc1ccoc1 62a_100000210211_100011215275 [1,0,0,1,0,0|2,0,0]=4 1154 B10R1.21 CCCCSc1ccoc1 62a_100011215275_100000210210 [1,0,0,1,0,0|2,0,0]=4 1155 B10R1.21 CCCCSc1ccsc1 62a_100000210211_100000738268 [1,0,0,1,0,0|2,0,0]=4 1156 B10R1.21 CCCCSc1ccsc1 62a_100000738268_100000210210 [1,0,0,1,0,0|2,0,0]=4 1157 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [1,0,0,1,0,0|1,0,1]=4 1158 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [1,0,0,1,0,0|1,0,1]=4 1159 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [1,0,0,1,0,0|1,0,1]=4 1160 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [1,0,0,1,0,0|1,0,1]=4 1161 B10R1.21 CCCNCc1cccs1 207a_100020643023_100000209959 [1,0,0,1,0,0|1,1,0]=4 1162 B10R1.21 CCCNCc1cccs1 2230a_100000211653_100000210303 [1,0,0,1,0,0|1,1,0]=4 1163 B10R1.21 CCCNCc1cccs1 270004a_100020643023_100000209959 [1,0,0,1,0,0|1,1,0]=4 1164 B10R1.21 CCCNCc1ccoc1 207a_100020643023_100011215517 [1,0,0,1,0,0|2,0,0]=4 1165 B10R1.21 CCCNCc1ccoc1 2230a_100015206860_100000210303 [1,0,0,1,0,0|2,0,0]=4 1166 B10R1.21 CCCNCc1ccoc1 270004a_100020643023_100011215517 [1,0,0,1,0,0|2,0,0]=4 1167 B10R1.21 CCCNCc1ccoc1 34a_100015206860_100000210303 [1,0,0,1,0,0|2,0,0]=4 1168 B10R1.21 CCCNCc1ccsc1 207a_100020643023_100000188534 [1,0,0,1,0,0|2,0,0]=4 1169 B10R1.21 CCCNCc1ccsc1 2230a_100000186416_100000210303 [1,0,0,1,0,0|2,0,0]=4 1170 B10R1.21 CCCNCc1ccsc1 270004a_100020643023_100000188534 [1,0,0,1,0,0|2,0,0]=4 1171 B10R1.21 CCCNCc1ccsc1 34a_100000186416_100000210303 [1,0,0,1,0,0|2,0,0]=4 1172 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [1,0,0,1,0,0|1,0,1]=4 1173 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [1,0,0,1,0,0|1,1,0]=4 1174 B10R1.21 CCCOCc1ccoc1 34a_100011215357_100000210303 [1,0,0,1,0,0|2,0,0]=4 1175 B10R1.21 CCCOCc1ccsc1 34a_100000210258_100011261437 [1,0,0,1,0,0|2,0,0]=4 1176 B10R1.21 CCCOCc1ccsc1 34a_100011215551_100000210303 [1,0,0,1,0,0|2,0,0]=4 1177 B10R1.21 CCCSCc1ccsc1 62a_100000210303_100011233845 [1,0,0,1,0,0|2,0,0]=4 1178 B10R1.21 CCCSCc1ccsc1 62a_100011261437_100000210303 [1,0,0,1,0,0|2,0,0]=4 1179 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [1,0,0,1,0,0|1,0,1]=4 1180 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [1,0,0,1,0,0|1,0,1]=4 1181 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [1,0,0,1,0,0|1,1,0]=4 1182 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [1,0,0,1,0,0|1,1,0]=4 1183 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [1,0,0,1,0,0|1,1,0]=4 1184 B10R1.21 CCNCCc1ccsc1 2230a_100000692642_100000210202 [1,0,0,1,0,0|2,0,0]=4 1185 B10R1.21 CCNCCc1ccsc1 34a_100000692642_100000210202 [1,0,0,1,0,0|2,0,0]=4 1186 B10R1.21 CCNCCn1cccc1 2230a_100015525214_200009811947 [1,0,0,1,0,0|2,0,0]=4 1187 B10R1.21 CCNCCn1cccc1 34a_100011368172_100000210202 [1,0,0,1,0,0|2,0,0]=4 1188 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [1,0,0,1,0,0|1,1,0]=4 1189 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [1,0,0,1,0,0|1,1,0]=4 1190 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [1,0,0,1,0,0|1,1,0]=4 1191 B10R1.21 CCOCCc1ccsc1 34a_100000748821_100000210202 [1,0,0,1,0,0|2,0,0]=4 1192 B10R1.21 CCOCCn1cccc1 34a_100000179382_100000210202 [1,0,0,1,0,0|2,0,0]=4 1193 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [1,0,0,1,0,0|1,1,0]=4 1194 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [1,0,0,1,0,0|1,1,0]=4 1195 B10R1.21 CCSCCn1cccc1 62a_100000210202_200000035178 [1,0,0,1,0,0|2,0,0]=4 1196 B10R1.21 CCSCCn1cccc1 62a_200009811947_100000210202 [1,0,0,1,0,0|2,0,0]=4 1197 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [1,0,0,1,0,0|1,1,0]=4 1198 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [1,0,0,1,0,0|1,1,0]=4 1199 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [1,0,0,1,0,0|1,1,0]=4 1200 B10R1.21 CNCCCn1cccc1 2230a_106832991635_200009814367 [1,0,0,1,0,0|2,0,0]=4 1201 B10R1.21 CNCCCn1cccc1 34a_100102657272_200009814367 [1,0,0,1,0,0|2,0,0]=4 1202 B10R1.21 CNCCCn1cccc1 7a_106832991635_200009814367 [1,0,0,1,0,0|2,0,0]=4 1203 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [1,0,0,1,0,0|1,1,0]=4 1204 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [1,0,0,1,0,0|1,1,0]=4 1205 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [1,0,0,1,0,0|1,1,0]=4 1206 B10R1.21 COCCCc1ccsc1 34a_200000699776_200000210301 [1,0,0,1,0,0|2,0,0]=4 1207 B10R1.21 COCCCc1ccsc1 7a_200000699776_200000210301 [1,0,0,1,0,0|2,0,0]=4 1208 B10R1.21 COCCCn1cccc1 34a_100000179399_200000210301 [1,0,0,1,0,0|2,0,0]=4 1209 B10R1.21 COCCCn1cccc1 34a_100138415774_200009814367 [1,0,0,1,0,0|2,0,0]=4 1210 B10R1.21 COCCCn1cccc1 7a_100000179399_200000210301 [1,0,0,1,0,0|2,0,0]=4 1211 B10R1.21 CSCCCc1cccs1 62a_100010992444_200000210301 [1,0,0,1,0,0|1,1,0]=4 1212 B10R1.21 CSCCCc1cccs1 62a_200000210301_100010992444 [1,0,0,1,0,0|1,1,0]=4 1213 B10R1.21 CSCCCn1cccc1 62a_200000210301_200009814367 [1,0,0,1,0,0|2,0,0]=4 1214 B10R1.21 CSCCCn1cccc1 62a_200009814367_200000210301 [1,0,0,1,0,0|2,0,0]=4 1215 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [1,0,0,1,0,0|1,1,0]=4 1216 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [1,0,0,1,0,0|1,1,0]=4 1217 B10R1.21 [13CH3]OCCCc1ccsc1 34a_200000699776_200025704644 [1,0,0,1,0,0|2,0,0]=4 1218 B10R1.21 [13CH3]OCCCc1ccsc1 7a_200000699776_200025704644 [1,0,0,1,0,0|2,0,0]=4 1219 B10R1.21 [13CH3]OCCCn1cccc1 34a_100000179399_200025704644 [1,0,0,1,0,0|2,0,0]=4 1220 B10R1.21 [13CH3]OCCCn1cccc1 7a_100000179399_200025704644 [1,0,0,1,0,0|2,0,0]=4 1221 B10R1.21 [13CH3]SCCCc1cccs1 62a_100010992444_200025704644 [1,0,0,1,0,0|1,1,0]=4 1222 B10R1.21 [13CH3]SCCCc1cccs1 62a_200025704644_100010992444 [1,0,0,1,0,0|1,1,0]=4 1223 B10R1.21 [13CH3]SCCCn1cccc1 62a_200009814367_200025704644 [1,0,0,1,0,0|2,0,0]=4 1224 B10R1.21 [13CH3]SCCCn1cccc1 62a_200025704644_200009814367 [1,0,0,1,0,0|2,0,0]=4 1225 B10R1.29 CCCCc1ccsc1C 271570a_100020621405_100000684487 [1,0,0,1,0,0|2,0,0]=4 1226 B10R1.29 CCCCc1ccsc1O 271570a_203496583355_100010071534 [1,0,0,1,0,0|1,0,1]=4 1227 B10R1.29 CCCCc1cscc1Br 271570a_100020621405_100010143727 [1,0,0,1,0,0|2,0,0]=4 1228 B10R1.29 CCCCc1cscc1C 271570a_100020621405_100000759966 [1,0,0,1,0,0|2,0,0]=4 1229 B10R1.29 CCCCc1sccc1Br 271570a_100020621405_100012361411 [1,0,0,1,0,0|2,0,0]=4 1230 B10R1.29 CCCCc1sccc1C 271570a_100020621405_100000742657 [1,0,0,1,0,0|2,0,0]=4 1231 B10R1.177 C/C=C/C=C/COC1CC1 34a_100016283227_100000211595 [1,0,0,1,0,0|1,0,1]=4 1232 B12R1.8 BrCCCOCc1ccccc1 34a_100011217188_100015291786 [0,1,0,1,0,0|2,0,0]=4 1233 B12R1.8 BrCCCOCc1ccccn1 34a_100011217188_100000721315 [0,1,0,1,0,0|2,0,0]=4 1234 B12R1.8 BrCCOCCc1ccccc1 34a_100000211926_100000765856 [0,1,0,1,0,0|2,0,0]=4 1235 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [0,1,0,1,0,0|1,0,1]=4 1236 B12R1.8 CCCCC=Cc1ccccn1 271570a_100016275911_100011216584 [0,1,0,1,0,0|1,0,1]=4 1237 B12R1.8 CCCCC=Cc1cccnc1 271570a_100016275911_100000752921 [0,1,0,1,0,0|1,0,1]=4 1238 B12R1.8 CCCCC=Cc1cccnn1 271570a_100016275911_100016991348 [0,1,0,1,0,0|1,0,1]=4 1239 B12R1.8 CCCCC=Cc1ccncc1 271570a_100016275911_100000035832 [0,1,0,1,0,0|1,0,1]=4 1240 B12R1.8 CCCCC=Cc1ccncn1 271570a_100016275911_100000703185 [0,1,0,1,0,0|1,0,1]=4 1241 B12R1.8 CCCCC=Cc1cnccn1 271570a_100016275911_100000758340 [0,1,0,1,0,0|1,0,1]=4 1242 B12R1.8 CCCCC=Cc1ncccn1 271570a_100016275911_100000211032 [0,1,0,1,0,0|1,0,1]=4 1243 B12R1.8 CCCCCNc1ccccc1 34a_100000106764_100000718602 [0,1,0,1,0,0|1,0,0]=3 1244 B12R1.8 CCCCCNc1cccnn1 27a_100000209983_100016991348 [0,1,0,1,0,0|2,0,0]=4 1245 B12R1.8 CCCCCNc1ccncn1 27a_100000209983_100000703185 [0,1,0,1,0,0|2,0,0]=4 1246 B12R1.8 CCCCCNc1cnccn1 27a_100000209983_100000211759 [0,1,0,1,0,0|2,0,0]=4 1247 B12R1.8 CCCCCNc1ncccn1 27a_100000209983_100000211032 [0,1,0,1,0,0|2,0,0]=4 1248 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [0,1,0,1,0,0|1,0,0]=3 1249 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [0,1,0,1,0,0|1,0,0]=3 1250 B12R1.8 CCCCCOc1cccnc1 34a_100000210849_100000718602 [0,1,0,1,0,0|2,0,0]=4 1251 B12R1.8 CCCCCOc1cccnc1 7a_100000210849_100000210326 [0,1,0,1,0,0|2,0,0]=4 1252 B12R1.8 CCCCCOc1ccncc1 34a_100000212176_100000718602 [0,1,0,1,0,0|2,0,0]=4 1253 B12R1.8 CCCCCSc1ccccc1 62a_100000210326_100000041952 [0,1,0,1,0,0|1,0,0]=3 1254 B12R1.8 CCCCCSc1ccccc1 62a_100000719477_100000210326 [0,1,0,1,0,0|1,0,0]=3 1255 B12R1.8 CCCCCSc1ccccn1 62a_100000210326_100011216584 [0,1,0,1,0,0|1,0,0]=3 1256 B12R1.8 CCCCCSc1ccccn1 62a_100011216584_100000210326 [0,1,0,1,0,0|1,0,0]=3 1257 B12R1.8 CCCCCSc1cccnc1 62a_100000210063_100000210326 [0,1,0,1,0,0|2,0,0]=4 1258 B12R1.8 CCCCCSc1cccnc1 62a_100000210326_100000210063 [0,1,0,1,0,0|2,0,0]=4 1259 B12R1.8 CCCCCSc1cccnn1 62a_100000210326_100016991348 [0,1,0,1,0,0|2,0,0]=4 1260 B12R1.8 CCCCCSc1cccnn1 62a_100016991348_100000210326 [0,1,0,1,0,0|2,0,0]=4 1261 B12R1.8 CCCCCSc1ccncc1 62a_100000210326_100000728582 [0,1,0,1,0,0|2,0,0]=4 1262 B12R1.8 CCCCCSc1ccncc1 62a_100000728582_100000210326 [0,1,0,1,0,0|2,0,0]=4 1263 B12R1.8 CCCCCSc1ccncn1 62a_100000210326_100000703185 [0,1,0,1,0,0|2,0,0]=4 1264 B12R1.8 CCCCCSc1ccncn1 62a_100000703185_100000210326 [0,1,0,1,0,0|2,0,0]=4 1265 B12R1.8 CCCCCSc1cnccn1 62a_100000210326_100000211759 [0,1,0,1,0,0|2,0,0]=4 1266 B12R1.8 CCCCCSc1cnccn1 62a_100000211759_100000210326 [0,1,0,1,0,0|2,0,0]=4 1267 B12R1.8 CCCCCSc1ncccn1 62a_100000210326_100000211032 [0,1,0,1,0,0|2,0,0]=4 1268 B12R1.8 CCCCCSc1ncccn1 62a_100000211032_100000210326 [0,1,0,1,0,0|2,0,0]=4 1269 B12R1.8 CCCCNCc1ccccc1 207a_100000102301_100015611070 [0,1,0,1,0,0|1,0,0]=3 1270 B12R1.8 CCCCNCc1ccccc1 2230a_100000102301_100015291786 [0,1,0,1,0,0|1,0,0]=3 1271 B12R1.8 CCCCNCc1ccccc1 2230a_100015324214_100000210211 [0,1,0,1,0,0|1,0,0]=3 1272 B12R1.8 CCCCNCc1ccccc1 270004a_100000102301_100015611070 [0,1,0,1,0,0|1,0,0]=3 1273 B12R1.8 CCCCNCc1ccccc1 34a_100015324214_100000210210 [0,1,0,1,0,0|1,0,0]=3 1274 B12R1.8 CCCCNCc1ccccc1 7a_106832991798_100000211182 [0,1,0,1,0,0|1,0,0]=3 1275 B12R1.8 CCCCNCc1ccccn1 207a_100000102301_100000209966 [0,1,0,1,0,0|1,0,0]=3 1276 B12R1.8 CCCCNCc1ccccn1 2230a_100000102301_100000721315 [0,1,0,1,0,0|1,0,0]=3 1277 B12R1.8 CCCCNCc1ccccn1 270004a_100000102301_100000209966 [0,1,0,1,0,0|1,0,0]=3 1278 B12R1.8 CCCCNCc1ccccn1 7a_106832991798_100000721315 [0,1,0,1,0,0|1,0,0]=3 1279 B12R1.8 CCCCNCc1cccnc1 207a_100000102301_100000209961 [0,1,0,1,0,0|2,0,0]=4 1280 B12R1.8 CCCCNCc1cccnc1 2230a_100000102301_100000741622 [0,1,0,1,0,0|2,0,0]=4 1281 B12R1.8 CCCCNCc1cccnc1 270004a_100000102301_100000209961 [0,1,0,1,0,0|2,0,0]=4 1282 B12R1.8 CCCCNCc1cccnc1 7a_106832991798_100000741622 [0,1,0,1,0,0|2,0,0]=4 1283 B12R1.8 CCCCNCc1cccnn1 2230a_100000102301_100016990269 [0,1,0,1,0,0|2,0,0]=4 1284 B12R1.8 CCCCNCc1cccnn1 2230a_100159270163_100000210211 [0,1,0,1,0,0|2,0,0]=4 1285 B12R1.8 CCCCNCc1cccnn1 7a_106832991798_100016990269 [0,1,0,1,0,0|2,0,0]=4 1286 B12R1.8 CCCCNCc1ccncc1 207a_100000102301_100000186114 [0,1,0,1,0,0|2,0,0]=4 1287 B12R1.8 CCCCNCc1ccncc1 2230a_100000102301_100015193705 [0,1,0,1,0,0|2,0,0]=4 1288 B12R1.8 CCCCNCc1ccncc1 7a_106832991798_100015193705 [0,1,0,1,0,0|2,0,0]=4 1289 B12R1.8 CCCCNCc1cnccn1 2230a_100000102301_100016995436 [0,1,0,1,0,0|2,0,0]=4 1290 B12R1.8 CCCCNCc1cnccn1 270004a_100000102301_100000749867 [0,1,0,1,0,0|2,0,0]=4 1291 B12R1.8 CCCCNCc1cnccn1 7a_106832991798_100016995436 [0,1,0,1,0,0|2,0,0]=4 1292 B12R1.8 CCCCNCc1ncccn1 2230a_100000102301_100000703007 [0,1,0,1,0,0|2,0,0]=4 1293 B12R1.8 CCCCNCc1ncccn1 270004a_100000102301_100011532527 [0,1,0,1,0,0|2,0,0]=4 1294 B12R1.8 CCCCNCc1ncccn1 7a_106832991798_100000703007 [0,1,0,1,0,0|2,0,0]=4 1295 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [0,1,0,1,0,0|1,0,0]=3 1296 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [0,1,0,1,0,0|1,0,0]=3 1297 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [0,1,0,1,0,0|1,0,0]=3 1298 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [0,1,0,1,0,0|1,0,0]=3 1299 B12R1.8 CCCCOCc1ccccn1 34a_100000210227_100000721315 [0,1,0,1,0,0|1,0,0]=3 1300 B12R1.8 CCCCOCc1ccccn1 7a_100000210227_100000721315 [0,1,0,1,0,0|1,0,0]=3 1301 B12R1.8 CCCCOCc1cccnc1 34a_100000210227_100000733263 [0,1,0,1,0,0|2,0,0]=4 1302 B12R1.8 CCCCOCc1cccnc1 7a_100000210227_100000741622 [0,1,0,1,0,0|2,0,0]=4 1303 B12R1.8 CCCCOCc1cccnn1 34a_100000210227_100016990269 [0,1,0,1,0,0|2,0,0]=4 1304 B12R1.8 CCCCOCc1cccnn1 7a_100000210227_100016990269 [0,1,0,1,0,0|2,0,0]=4 1305 B12R1.8 CCCCOCc1ccncc1 7a_100000210227_100015193705 [0,1,0,1,0,0|2,0,0]=4 1306 B12R1.8 CCCCOCc1cnccn1 34a_100000210227_100016995436 [0,1,0,1,0,0|2,0,0]=4 1307 B12R1.8 CCCCOCc1cnccn1 7a_100000210227_100016995436 [0,1,0,1,0,0|2,0,0]=4 1308 B12R1.8 CCCCOCc1ncccn1 34a_100000210227_100000703007 [0,1,0,1,0,0|2,0,0]=4 1309 B12R1.8 CCCCOCc1ncccn1 7a_100000210227_100000703007 [0,1,0,1,0,0|2,0,0]=4 1310 B12R1.8 CCCCSCc1ccccc1 62a_100000210211_100015291786 [0,1,0,1,0,0|1,0,0]=3 1311 B12R1.8 CCCCSCc1ccccc1 62a_100000211182_100000210210 [0,1,0,1,0,0|1,0,0]=3 1312 B12R1.8 CCCCSCc1ccccn1 62a_100000210211_100000721315 [0,1,0,1,0,0|1,0,0]=3 1313 B12R1.8 CCCCSCc1ccccn1 62a_100000721315_100000210210 [0,1,0,1,0,0|1,0,0]=3 1314 B12R1.8 CCCCSCc1cccnc1 62a_100000210211_100000741622 [0,1,0,1,0,0|2,0,0]=4 1315 B12R1.8 CCCCSCc1cccnc1 62a_100000741622_100000210210 [0,1,0,1,0,0|2,0,0]=4 1316 B12R1.8 CCCCSCc1cccnn1 62a_100000210211_100016990269 [0,1,0,1,0,0|2,0,0]=4 1317 B12R1.8 CCCCSCc1cccnn1 62a_100016990269_100000210210 [0,1,0,1,0,0|2,0,0]=4 1318 B12R1.8 CCCCSCc1ccncc1 62a_100000210211_100015193705 [0,1,0,1,0,0|2,0,0]=4 1319 B12R1.8 CCCCSCc1ccncc1 62a_100015193705_100000210210 [0,1,0,1,0,0|2,0,0]=4 1320 B12R1.8 CCCCSCc1cnccn1 62a_100000210211_100016995436 [0,1,0,1,0,0|2,0,0]=4 1321 B12R1.8 CCCCSCc1cnccn1 62a_100016995436_100000210210 [0,1,0,1,0,0|2,0,0]=4 1322 B12R1.8 CCCCSCc1ncccn1 62a_100000210211_100000703007 [0,1,0,1,0,0|2,0,0]=4 1323 B12R1.8 CCCCSCc1ncccn1 62a_100000703007_100000210210 [0,1,0,1,0,0|2,0,0]=4 1324 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [0,1,0,1,0,0|1,0,0]=3 1325 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [0,1,0,1,0,0|1,0,0]=3 1326 B12R1.8 CCCNCCc1cccnc1 2230a_100000736294_100000210303 [0,1,0,1,0,0|2,0,0]=4 1327 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [0,1,0,1,0,0|1,0,0]=3 1328 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [0,1,0,1,0,0|1,0,0]=3 1329 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [0,1,0,1,0,0|1,0,0]=3 1330 B12R1.8 CCCOCCc1ccccn1 34a_100000210271_100000210303 [0,1,0,1,0,0|1,0,0]=3 1331 B12R1.8 CCCOCCc1cccnc1 34a_100011217484_100000210303 [0,1,0,1,0,0|2,0,0]=4 1332 B12R1.8 CCCOCCc1ccncc1 34a_100011216225_100000210303 [0,1,0,1,0,0|2,0,0]=4 1333 B12R1.8 CCCOCCc1cnccn1 34a_100011349526_100000210303 [0,1,0,1,0,0|2,0,0]=4 1334 B12R1.8 CCCSCCc1ccccc1 62a_100000210303_100011218657 [0,1,0,1,0,0|1,0,0]=3 1335 B12R1.8 CCCSCCc1ccccc1 62a_100000765856_100000210303 [0,1,0,1,0,0|1,0,0]=3 1336 B12R1.8 CCCSCCc1ccccn1 62a_100000210303_100015183660 [0,1,0,1,0,0|1,0,0]=3 1337 B12R1.8 CCCSCCc1ccccn1 62a_100015183660_100000210303 [0,1,0,1,0,0|1,0,0]=3 1338 B12R1.8 CCCSCCc1cccnc1 62a_100000210303_200011713674 [0,1,0,1,0,0|2,0,0]=4 1339 B12R1.8 CCCSCCc1cccnc1 62a_200011713674_100000210303 [0,1,0,1,0,0|2,0,0]=4 1340 B12R1.8 CCCSCCc1ccncc1 62a_100000210303_100000723409 [0,1,0,1,0,0|2,0,0]=4 1341 B12R1.8 CCCSCCc1ccncc1 62a_100000723409_100000210303 [0,1,0,1,0,0|2,0,0]=4 1342 B12R1.8 CCCSCSc1ccccc1 62a_100000210303_100011218342 [0,1,0,1,0,0|2,0,0]=4 1343 B12R1.8 CCCSCSc1ccccc1 62a_100011218342_100000210303 [0,1,0,1,0,0|2,0,0]=4 1344 B12R1.8 CCNCCCc1ccccc1 2230a_100000211184_100000210202 [0,1,0,1,0,0|1,0,0]=3 1345 B12R1.8 CCNCCCc1ccccc1 2230a_100015525214_100000211621 [0,1,0,1,0,0|1,0,0]=3 1346 B12R1.8 CCNCCCc1ccccc1 34a_100000211184_100000210202 [0,1,0,1,0,0|1,0,0]=3 1347 B12R1.8 CCNCCCc1cccnc1 2230a_100011532358_100000210202 [0,1,0,1,0,0|2,0,0]=4 1348 B12R1.8 CCNCCCc1cccnc1 34a_100011532358_100000210202 [0,1,0,1,0,0|2,0,0]=4 1349 B12R1.8 CCNCCCc1ccncc1 2230a_100011275580_100000210202 [0,1,0,1,0,0|2,0,0]=4 1350 B12R1.8 CCNCCOc1ccccc1 2230a_100000174943_100000210202 [0,1,0,1,0,0|2,0,0]=4 1351 B12R1.8 CCNCCOc1ccccc1 2230a_100015525214_100000184471 [0,1,0,1,0,0|2,0,0]=4 1352 B12R1.8 CCNCCOc1ccccc1 270004a_100015525214_100000758736 [0,1,0,1,0,0|2,0,0]=4 1353 B12R1.8 CCNCCOc1ccccc1 34a_100000174943_100000210202 [0,1,0,1,0,0|2,0,0]=4 1354 B12R1.8 CCNCCOc1ccccn1 2230a_106741647558_100000210202 [0,1,0,1,0,0|2,0,0]=4 1355 B12R1.8 CCNCCSc1ccccc1 2230a_100000189519_100000210202 [0,1,0,1,0,0|2,0,0]=4 1356 B12R1.8 CCNCCSc1ccccc1 2230a_100015525214_100000246102 [0,1,0,1,0,0|2,0,0]=4 1357 B12R1.8 CCNCOCc1ccccc1 2230a_100015525214_100000763385 [0,1,0,1,0,0|2,0,0]=4 1358 B12R1.8 CCNCSCc1ccccc1 2230a_100015525214_200011217039 [0,1,0,1,0,0|2,0,0]=4 1359 B12R1.8 CCOCCCC1=CCC=CC1 34a_100020667889_100000210202 [0,1,0,1,0,0|1,0,1]=4 1360 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [0,1,0,1,0,0|1,0,0]=3 1361 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [0,1,0,1,0,0|1,0,0]=3 1362 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [0,1,0,1,0,0|1,0,0]=3 1363 B12R1.8 CCOCCCc1ccccn1 34a_100011215068_100000210202 [0,1,0,1,0,0|1,0,0]=3 1364 B12R1.8 CCOCCCc1cccnc1 34a_100000211284_100000210202 [0,1,0,1,0,0|2,0,0]=4 1365 B12R1.8 CCOCCCc1ccncc1 34a_100000210659_100000210202 [0,1,0,1,0,0|2,0,0]=4 1366 B12R1.8 CCOCCNc1ccccc1 34a_100000106764_100000210147 [0,1,0,1,0,0|2,0,0]=4 1367 B12R1.8 CCOCCNc1ccccc1 34a_100000211345_100000210202 [0,1,0,1,0,0|2,0,0]=4 1368 B12R1.8 CCOCCOc1ccccc1 34a_100000210260_100000210202 [0,1,0,1,0,0|2,0,0]=4 1369 B12R1.8 CCOCCOc1ccccc1 34a_100000210340_100000210147 [0,1,0,1,0,0|2,0,0]=4 1370 B12R1.8 CCOCCOc1ccccc1 34a_100121572206_100000184471 [0,1,0,1,0,0|2,0,0]=4 1371 B12R1.8 CCOCCOc1ccccc1 7a_100000210260_100000210202 [0,1,0,1,0,0|2,0,0]=4 1372 B12R1.8 CCOCCOc1ccccc1 7a_100000210340_100011215890 [0,1,0,1,0,0|2,0,0]=4 1373 B12R1.8 CCOCCSc1ccccc1 34a_100121572206_100000246102 [0,1,0,1,0,0|2,0,0]=4 1374 B12R1.8 CCOCCSc1ccccc1 62a_100000210147_100000041952 [0,1,0,1,0,0|2,0,0]=4 1375 B12R1.8 CCOCCSc1ccccc1 62a_100000719477_100011215890 [0,1,0,1,0,0|2,0,0]=4 1376 B12R1.8 CCOCCSc1ccccc1 7a_100000230494_100000210202 [0,1,0,1,0,0|2,0,0]=4 1377 B12R1.8 CCOCCSc1ccccn1 62a_100000210147_100011216584 [0,1,0,1,0,0|2,0,0]=4 1378 B12R1.8 CCOCCSc1ccccn1 62a_100011216584_100011215890 [0,1,0,1,0,0|2,0,0]=4 1379 B12R1.8 CCOCCSc1ccccn1 7a_100000156319_100000210202 [0,1,0,1,0,0|2,0,0]=4 1380 B12R1.8 CCOCOCc1ccccc1 34a_100121572206_100000763385 [0,1,0,1,0,0|2,0,0]=4 1381 B12R1.8 CCOCSCc1ccccc1 34a_100121572206_200011217039 [0,1,0,1,0,0|2,0,0]=4 1382 B12R1.8 CCOCSCc1ccccc1 62a_100000211182_100000739092 [0,1,0,1,0,0|2,0,0]=4 1383 B12R1.8 CCOCSCc1ccccc1 62a_100000739092_100015291786 [0,1,0,1,0,0|2,0,0]=4 1384 B12R1.8 CCOCSCc1ccccn1 62a_100000721315_100000739092 [0,1,0,1,0,0|2,0,0]=4 1385 B12R1.8 CCOCSCc1ccccn1 62a_100000739092_100000721315 [0,1,0,1,0,0|2,0,0]=4 1386 B12R1.8 CCSCCCc1ccccc1 62a_100000210202_100000211621 [0,1,0,1,0,0|1,0,0]=3 1387 B12R1.8 CCSCCCc1ccccc1 62a_100000211621_100000210202 [0,1,0,1,0,0|1,0,0]=3 1388 B12R1.8 CCSCCNc1ccccc1 34a_100000106764_100000757381 [0,1,0,1,0,0|2,0,0]=4 1389 B12R1.8 CCSCCOc1ccccc1 34a_100000210340_100000757381 [0,1,0,1,0,0|2,0,0]=4 1390 B12R1.8 CCSCCOc1ccccc1 62a_100000184471_100000210202 [0,1,0,1,0,0|2,0,0]=4 1391 B12R1.8 CCSCCOc1ccccc1 62a_100000210202_100000184471 [0,1,0,1,0,0|2,0,0]=4 1392 B12R1.8 CCSCCOc1ccccc1 7a_100000210340_100000757381 [0,1,0,1,0,0|2,0,0]=4 1393 B12R1.8 CCSCCSc1ccccc1 62a_100000210202_100000246102 [0,1,0,1,0,0|2,0,0]=4 1394 B12R1.8 CCSCCSc1ccccc1 62a_100000246102_100000210202 [0,1,0,1,0,0|2,0,0]=4 1395 B12R1.8 CCSCCSc1ccccc1 62a_100000719477_100000757381 [0,1,0,1,0,0|2,0,0]=4 1396 B12R1.8 CCSCCSc1ccccc1 62a_100000757381_100000041952 [0,1,0,1,0,0|2,0,0]=4 1397 B12R1.8 CCSCCSc1ccccn1 62a_100000757381_100011216584 [0,1,0,1,0,0|2,0,0]=4 1398 B12R1.8 CCSCCSc1ccccn1 62a_100011216584_100000757381 [0,1,0,1,0,0|2,0,0]=4 1399 B12R1.8 CCSCOCc1ccccc1 62a_100000210202_100000763385 [0,1,0,1,0,0|2,0,0]=4 1400 B12R1.8 CCSCOCc1ccccc1 62a_100000763385_100000210202 [0,1,0,1,0,0|2,0,0]=4 1401 B12R1.8 CCSCSCc1ccccc1 62a_100000210202_200011217039 [0,1,0,1,0,0|2,0,0]=4 1402 B12R1.8 CCSCSCc1ccccc1 62a_200011217039_100000210202 [0,1,0,1,0,0|2,0,0]=4 1403 B12R1.8 CNCCCCc1ccccc1 2230a_100015280158_200000210301 [0,1,0,1,0,0|1,0,0]=3 1404 B12R1.8 CNCCCCc1ccccc1 2230a_106832991635_100000701786 [0,1,0,1,0,0|1,0,0]=3 1405 B12R1.8 CNCCCCc1ccccc1 34a_100015280158_200000210301 [0,1,0,1,0,0|1,0,0]=3 1406 B12R1.8 CNCCCCc1ccccc1 34a_100102657272_100000701786 [0,1,0,1,0,0|1,0,0]=3 1407 B12R1.8 CNCCCCc1ccccc1 7a_106832991635_100000701786 [0,1,0,1,0,0|1,0,0]=3 1408 B12R1.8 CNCCCCc1ccncc1 2230a_106832991635_100020630000 [0,1,0,1,0,0|2,0,0]=4 1409 B12R1.8 CNCCCCc1ccncc1 7a_106832991635_100020630000 [0,1,0,1,0,0|2,0,0]=4 1410 B12R1.8 CNCCCOc1ccccc1 2230a_100000216521_200000210301 [0,1,0,1,0,0|2,0,0]=4 1411 B12R1.8 CNCCCOc1ccccc1 2230a_106832991635_100000199009 [0,1,0,1,0,0|2,0,0]=4 1412 B12R1.8 CNCCCOc1ccccc1 34a_100000216521_200000210301 [0,1,0,1,0,0|2,0,0]=4 1413 B12R1.8 CNCCCOc1ccccc1 34a_100102657272_100000199009 [0,1,0,1,0,0|2,0,0]=4 1414 B12R1.8 CNCCCOc1ccccc1 7a_106832991635_100000199009 [0,1,0,1,0,0|2,0,0]=4 1415 B12R1.8 CNCCCSc1ccccc1 2230a_100000184639_200000210301 [0,1,0,1,0,0|2,0,0]=4 1416 B12R1.8 CNCCCSc1ccccc1 2230a_106832991635_200011203293 [0,1,0,1,0,0|2,0,0]=4 1417 B12R1.8 CNCCCSc1ccccc1 34a_100102657272_200011203293 [0,1,0,1,0,0|2,0,0]=4 1418 B12R1.8 CNCCCSc1ccccc1 7a_106832991635_200011203293 [0,1,0,1,0,0|2,0,0]=4 1419 B12R1.8 CNCCOCc1ccccc1 2230a_100000753106_200000210301 [0,1,0,1,0,0|2,0,0]=4 1420 B12R1.8 CNCCOCc1ccccc1 2230a_106832991635_100000234347 [0,1,0,1,0,0|2,0,0]=4 1421 B12R1.8 CNCCOCc1ccccc1 34a_100000753106_200000210301 [0,1,0,1,0,0|2,0,0]=4 1422 B12R1.8 CNCCOCc1ccccc1 34a_100102657272_100000234347 [0,1,0,1,0,0|2,0,0]=4 1423 B12R1.8 CNCCOCc1ccccc1 7a_106832991635_100000234347 [0,1,0,1,0,0|2,0,0]=4 1424 B12R1.8 CNCCSCc1ccccc1 2230a_100000189534_200000210301 [0,1,0,1,0,0|2,0,0]=4 1425 B12R1.8 CNCCSCc1ccccc1 2230a_106832991635_200011297719 [0,1,0,1,0,0|2,0,0]=4 1426 B12R1.8 CNCCSCc1ccccc1 34a_100000189534_200000210301 [0,1,0,1,0,0|2,0,0]=4 1427 B12R1.8 CNCCSCc1ccccc1 34a_100102657272_200011297719 [0,1,0,1,0,0|2,0,0]=4 1428 B12R1.8 CNCCSCc1ccccc1 7a_100000189534_200000210301 [0,1,0,1,0,0|2,0,0]=4 1429 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [0,1,0,1,0,0|1,0,0]=3 1430 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [0,1,0,1,0,0|1,0,0]=3 1431 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [0,1,0,1,0,0|1,0,0]=3 1432 B12R1.8 COCCCCc1ccccn1 34a_100012186994_200000210301 [0,1,0,1,0,0|1,0,0]=3 1433 B12R1.8 COCCCCc1cccnc1 34a_100012039607_200000210301 [0,1,0,1,0,0|2,0,0]=4 1434 B12R1.8 COCCCCc1cccnc1 7a_100012039607_200000210301 [0,1,0,1,0,0|2,0,0]=4 1435 B12R1.8 COCCCCc1ccncc1 34a_100011787716_200000210301 [0,1,0,1,0,0|2,0,0]=4 1436 B12R1.8 COCCCNc1ccccc1 34a_100000106764_100000740836 [0,1,0,1,0,0|2,0,0]=4 1437 B12R1.8 COCCCNc1ccccc1 34a_100000212590_200000210301 [0,1,0,1,0,0|2,0,0]=4 1438 B12R1.8 COCCCOc1ccccc1 34a_100000210340_100000740836 [0,1,0,1,0,0|2,0,0]=4 1439 B12R1.8 COCCCOc1ccccc1 34a_100011215863_200000210301 [0,1,0,1,0,0|2,0,0]=4 1440 B12R1.8 COCCCOc1ccccc1 34a_100138415774_100000199009 [0,1,0,1,0,0|2,0,0]=4 1441 B12R1.8 COCCCOc1ccccc1 7a_100000210340_100000740836 [0,1,0,1,0,0|2,0,0]=4 1442 B12R1.8 COCCCOc1ccccc1 7a_100011215863_200000210301 [0,1,0,1,0,0|2,0,0]=4 1443 B12R1.8 COCCCSc1ccccc1 34a_100138415774_200011203293 [0,1,0,1,0,0|2,0,0]=4 1444 B12R1.8 COCCCSc1ccccc1 62a_100000709357_100000041952 [0,1,0,1,0,0|2,0,0]=4 1445 B12R1.8 COCCCSc1ccccc1 62a_100000719477_100000709357 [0,1,0,1,0,0|2,0,0]=4 1446 B12R1.8 COCCCSc1ccccn1 62a_100000709357_100011216584 [0,1,0,1,0,0|2,0,0]=4 1447 B12R1.8 COCCCSc1ccccn1 62a_100011216584_100000709357 [0,1,0,1,0,0|2,0,0]=4 1448 B12R1.8 COCCNCc1ccccc1 207a_100000209980_100015611070 [0,1,0,1,0,0|2,0,0]=4 1449 B12R1.8 COCCNCc1ccccc1 2230a_100000209980_100015291786 [0,1,0,1,0,0|2,0,0]=4 1450 B12R1.8 COCCNCc1ccccc1 2230a_100015324214_100011201679 [0,1,0,1,0,0|2,0,0]=4 1451 B12R1.8 COCCNCc1ccccc1 270004a_100000209980_100015611070 [0,1,0,1,0,0|2,0,0]=4 1452 B12R1.8 COCCNCc1ccccc1 34a_100000180844_200000210301 [0,1,0,1,0,0|2,0,0]=4 1453 B12R1.8 COCCNCc1ccccc1 34a_100015324214_100011201679 [0,1,0,1,0,0|2,0,0]=4 1454 B12R1.8 COCCNCc1ccccn1 207a_100000209980_100000209966 [0,1,0,1,0,0|2,0,0]=4 1455 B12R1.8 COCCNCc1ccccn1 2230a_100000209980_100000721315 [0,1,0,1,0,0|2,0,0]=4 1456 B12R1.8 COCCNCc1ccccn1 270004a_100000209980_100000209966 [0,1,0,1,0,0|2,0,0]=4 1457 B12R1.8 COCCOCc1ccccc1 34a_100000210237_100015291786 [0,1,0,1,0,0|2,0,0]=4 1458 B12R1.8 COCCOCc1ccccc1 34a_100000210790_100011201679 [0,1,0,1,0,0|2,0,0]=4 1459 B12R1.8 COCCOCc1ccccc1 34a_100000759325_200000210301 [0,1,0,1,0,0|2,0,0]=4 1460 B12R1.8 COCCOCc1ccccc1 34a_100138415774_100000234347 [0,1,0,1,0,0|2,0,0]=4 1461 B12R1.8 COCCOCc1ccccc1 7a_100000210790_100000233755 [0,1,0,1,0,0|2,0,0]=4 1462 B12R1.8 COCCOCc1ccccc1 7a_100000759325_200000210301 [0,1,0,1,0,0|2,0,0]=4 1463 B12R1.8 COCCOCc1ccccn1 34a_100000210237_100000721315 [0,1,0,1,0,0|2,0,0]=4 1464 B12R1.8 COCCSCc1ccccc1 34a_100011205989_200000210301 [0,1,0,1,0,0|2,0,0]=4 1465 B12R1.8 COCCSCc1ccccc1 34a_100138415774_200011297719 [0,1,0,1,0,0|2,0,0]=4 1466 B12R1.8 COCCSCc1ccccc1 62a_100000211182_100000233755 [0,1,0,1,0,0|2,0,0]=4 1467 B12R1.8 COCCSCc1ccccc1 62a_100000233755_100015291786 [0,1,0,1,0,0|2,0,0]=4 1468 B12R1.8 COCCSCc1ccccc1 7a_100011205989_200000210301 [0,1,0,1,0,0|2,0,0]=4 1469 B12R1.8 COCCSCc1ccccn1 62a_100000233755_100000721315 [0,1,0,1,0,0|2,0,0]=4 1470 B12R1.8 COCCSCc1ccccn1 62a_100000721315_100000233755 [0,1,0,1,0,0|2,0,0]=4 1471 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [0,1,0,1,0,0|2,0,0]=4 1472 B12R1.8 COCSCCc1ccccc1 62a_100000765856_100000766300 [0,1,0,1,0,0|2,0,0]=4 1473 B12R1.8 COCSCCc1ccccc1 62a_100000766300_100011218657 [0,1,0,1,0,0|2,0,0]=4 1474 B12R1.8 COCSCCc1ccccn1 62a_100000766300_100015183660 [0,1,0,1,0,0|2,0,0]=4 1475 B12R1.8 COCSCCc1ccccn1 62a_100015183660_100000766300 [0,1,0,1,0,0|2,0,0]=4 1476 B12R1.8 CSCCCCc1ccccc1 62a_100000701786_200000210301 [0,1,0,1,0,0|1,0,0]=3 1477 B12R1.8 CSCCCCc1ccccc1 62a_200000210301_100000701786 [0,1,0,1,0,0|1,0,0]=3 1478 B12R1.8 CSCCCCc1ccncc1 62a_100020630000_200000210301 [0,1,0,1,0,0|2,0,0]=4 1479 B12R1.8 CSCCCCc1ccncc1 62a_200000210301_100020630000 [0,1,0,1,0,0|2,0,0]=4 1480 B12R1.8 CSCCCOc1ccccc1 62a_100000199009_200000210301 [0,1,0,1,0,0|2,0,0]=4 1481 B12R1.8 CSCCCOc1ccccc1 62a_200000210301_100000199009 [0,1,0,1,0,0|2,0,0]=4 1482 B12R1.8 CSCCCSc1ccccc1 62a_200000210301_200011203293 [0,1,0,1,0,0|2,0,0]=4 1483 B12R1.8 CSCCCSc1ccccc1 62a_200011203293_200000210301 [0,1,0,1,0,0|2,0,0]=4 1484 B12R1.8 CSCCNCc1ccccc1 207a_100020590264_100015611070 [0,1,0,1,0,0|2,0,0]=4 1485 B12R1.8 CSCCNCc1ccccc1 2230a_100015324214_100000751147 [0,1,0,1,0,0|2,0,0]=4 1486 B12R1.8 CSCCNCc1ccccc1 2230a_100020590264_100015291786 [0,1,0,1,0,0|2,0,0]=4 1487 B12R1.8 CSCCNCc1ccccc1 270004a_100020590264_100015611070 [0,1,0,1,0,0|2,0,0]=4 1488 B12R1.8 CSCCNCc1ccccc1 34a_100015324214_100000212216 [0,1,0,1,0,0|2,0,0]=4 1489 B12R1.8 CSCCNCc1ccccn1 207a_100020590264_100000209966 [0,1,0,1,0,0|2,0,0]=4 1490 B12R1.8 CSCCNCc1ccccn1 2230a_100020590264_100000721315 [0,1,0,1,0,0|2,0,0]=4 1491 B12R1.8 CSCCNCc1ccccn1 270004a_100020590264_100000209966 [0,1,0,1,0,0|2,0,0]=4 1492 B12R1.8 CSCCOCc1ccccc1 34a_100000210790_100000212216 [0,1,0,1,0,0|2,0,0]=4 1493 B12R1.8 CSCCOCc1ccccc1 34a_100000230434_100015291786 [0,1,0,1,0,0|2,0,0]=4 1494 B12R1.8 CSCCOCc1ccccc1 62a_100000234347_200000210301 [0,1,0,1,0,0|2,0,0]=4 1495 B12R1.8 CSCCOCc1ccccc1 62a_200000210301_100000234347 [0,1,0,1,0,0|2,0,0]=4 1496 B12R1.8 CSCCOCc1ccccc1 7a_100000210790_100000212216 [0,1,0,1,0,0|2,0,0]=4 1497 B12R1.8 CSCCOCc1ccccc1 7a_100000230434_100000211182 [0,1,0,1,0,0|2,0,0]=4 1498 B12R1.8 CSCCOCc1ccccn1 34a_100000230434_100000721315 [0,1,0,1,0,0|2,0,0]=4 1499 B12R1.8 CSCCOCc1ccccn1 7a_100000230434_100000721315 [0,1,0,1,0,0|2,0,0]=4 1500 B12R1.8 CSCCSCc1ccccc1 62a_100000211182_100000751147 [0,1,0,1,0,0|2,0,0]=4 1501 B12R1.8 CSCCSCc1ccccc1 62a_100000212216_100015291786 [0,1,0,1,0,0|2,0,0]=4 1502 B12R1.8 CSCCSCc1ccccc1 62a_200000210301_200011297719 [0,1,0,1,0,0|2,0,0]=4 1503 B12R1.8 CSCCSCc1ccccc1 62a_200011297719_200000210301 [0,1,0,1,0,0|2,0,0]=4 1504 B12R1.8 CSCCSCc1ccccn1 62a_100000212216_100000721315 [0,1,0,1,0,0|2,0,0]=4 1505 B12R1.8 CSCCSCc1ccccn1 62a_100000721315_100000751147 [0,1,0,1,0,0|2,0,0]=4 1506 B12R1.8 CSCNCCc1ccccc1 2230a_100000106460_100011218213 [0,1,0,1,0,0|2,0,0]=4 1507 B12R1.8 CSCNCCc1ccccc1 34a_100000106460_100011218213 [0,1,0,1,0,0|2,0,0]=4 1508 B12R1.8 CSCOCCc1ccccc1 34a_100000210268_100011218213 [0,1,0,1,0,0|2,0,0]=4 1509 B12R1.8 CSCOCCc1ccccn1 34a_100000210271_100011218213 [0,1,0,1,0,0|2,0,0]=4 1510 B12R1.8 CSCSCCc1ccccc1 62a_100000765856_100011218213 [0,1,0,1,0,0|2,0,0]=4 1511 B12R1.8 CSCSCCc1ccccc1 62a_100011218213_100011218657 [0,1,0,1,0,0|2,0,0]=4 1512 B12R1.8 CSCSCCc1ccccn1 62a_100011218213_100015183660 [0,1,0,1,0,0|2,0,0]=4 1513 B12R1.8 CSCSCCc1ccccn1 62a_100015183660_100011218213 [0,1,0,1,0,0|2,0,0]=4 1514 B12R1.8 ClCCCOCc1ccccc1 34a_100000230001_100015291786 [0,1,0,1,0,0|2,0,0]=4 1515 B12R1.8 ClCCCOCc1ccccn1 34a_100000230001_100000721315 [0,1,0,1,0,0|2,0,0]=4 1516 B12R1.8 FCCCCNc1ccccc1 34a_100000106764_100000729493 [0,1,0,1,0,0|2,0,0]=4 1517 B12R1.8 FCCCCOc1ccccc1 34a_100000210340_100000729493 [0,1,0,1,0,0|2,0,0]=4 1518 B12R1.8 FCCCCOc1ccccc1 7a_100000210340_100000729493 [0,1,0,1,0,0|2,0,0]=4 1519 B12R1.8 FCCCCSc1ccccc1 62a_100000719477_100000729493 [0,1,0,1,0,0|2,0,0]=4 1520 B12R1.8 FCCCCSc1ccccc1 62a_100000729493_100000041952 [0,1,0,1,0,0|2,0,0]=4 1521 B12R1.8 FCCCCSc1ccccn1 62a_100000729493_100011216584 [0,1,0,1,0,0|2,0,0]=4 1522 B12R1.8 FCCCCSc1ccccn1 62a_100011216584_100000729493 [0,1,0,1,0,0|2,0,0]=4 1523 B12R1.8 FCCCNCc1ccccc1 207a_100015189416_100015611070 [0,1,0,1,0,0|2,0,0]=4 1524 B12R1.8 FCCCNCc1ccccc1 2230a_100015189416_100015291786 [0,1,0,1,0,0|2,0,0]=4 1525 B12R1.8 FCCCNCc1ccccc1 2230a_100015324214_100011934791 [0,1,0,1,0,0|2,0,0]=4 1526 B12R1.8 FCCCNCc1ccccc1 270004a_100015189416_100015611070 [0,1,0,1,0,0|2,0,0]=4 1527 B12R1.8 FCCCNCc1ccccc1 34a_100015189416_100015291786 [0,1,0,1,0,0|2,0,0]=4 1528 B12R1.8 FCCCNCc1ccccc1 34a_100015324214_100011934791 [0,1,0,1,0,0|2,0,0]=4 1529 B12R1.8 FCCCNCc1ccccn1 207a_100015189416_100000209966 [0,1,0,1,0,0|2,0,0]=4 1530 B12R1.8 FCCCNCc1ccccn1 2230a_100015189416_100000721315 [0,1,0,1,0,0|2,0,0]=4 1531 B12R1.8 FCCCNCc1ccccn1 270004a_100015189416_100000209966 [0,1,0,1,0,0|2,0,0]=4 1532 B12R1.8 FCCCNCc1ccccn1 34a_100015189416_100000721315 [0,1,0,1,0,0|2,0,0]=4 1533 B12R1.8 FCCCOCc1ccccc1 34a_100000210790_100011934791 [0,1,0,1,0,0|2,0,0]=4 1534 B12R1.8 FCCCOCc1ccccc1 34a_100000759539_100015291786 [0,1,0,1,0,0|2,0,0]=4 1535 B12R1.8 FCCCOCc1ccccc1 7a_100000210790_100011934791 [0,1,0,1,0,0|2,0,0]=4 1536 B12R1.8 FCCCOCc1ccccn1 34a_100000759539_100000721315 [0,1,0,1,0,0|2,0,0]=4 1537 B12R1.8 FCCCSCc1ccccc1 62a_100000211182_100011934791 [0,1,0,1,0,0|2,0,0]=4 1538 B12R1.8 FCCCSCc1ccccc1 62a_100011934791_100015291786 [0,1,0,1,0,0|2,0,0]=4 1539 B12R1.8 FCCCSCc1ccccn1 62a_100000721315_100011934791 [0,1,0,1,0,0|2,0,0]=4 1540 B12R1.8 FCCCSCc1ccccn1 62a_100011934791_100000721315 [0,1,0,1,0,0|2,0,0]=4 1541 B12R1.8 FCCNCCc1ccccc1 2230a_100000106460_100011217306 [0,1,0,1,0,0|2,0,0]=4 1542 B12R1.8 FCCNCCc1ccccc1 34a_100000106460_100011217306 [0,1,0,1,0,0|2,0,0]=4 1543 B12R1.8 FCCNCCc1ccccc1 34a_100000724931_100000765856 [0,1,0,1,0,0|2,0,0]=4 1544 B12R1.8 FCCOCCc1ccccc1 34a_100000210268_100011217306 [0,1,0,1,0,0|2,0,0]=4 1545 B12R1.8 FCCOCCc1ccccc1 7a_100000210268_100011217306 [0,1,0,1,0,0|2,0,0]=4 1546 B12R1.8 FCCOCCc1ccccn1 34a_100000210271_100011217306 [0,1,0,1,0,0|2,0,0]=4 1547 B12R1.8 FCCSCCc1ccccc1 62a_100000765856_100011217306 [0,1,0,1,0,0|2,0,0]=4 1548 B12R1.8 FCCSCCc1ccccc1 62a_100011217306_100011218657 [0,1,0,1,0,0|2,0,0]=4 1549 B12R1.8 FCCSCCc1ccccn1 62a_100011217306_100015183660 [0,1,0,1,0,0|2,0,0]=4 1550 B12R1.8 FCCSCCc1ccccn1 62a_100015183660_100011217306 [0,1,0,1,0,0|2,0,0]=4 1551 B12R1.8 FCNCCCc1ccccc1 34a_100000211184_100015361967 [0,1,0,1,0,0|2,0,0]=4 1552 B12R1.8 FCOCCCc1ccccc1 34a_100000210828_100015361967 [0,1,0,1,0,0|2,0,0]=4 1553 B12R1.8 FCOCCCc1ccccc1 7a_100000210828_100015361967 [0,1,0,1,0,0|2,0,0]=4 1554 B12R1.8 FCOCCCc1ccccn1 34a_100011215068_100015361967 [0,1,0,1,0,0|2,0,0]=4 1555 B12R1.8 FCSCCCc1ccccc1 62a_100000211621_100015361967 [0,1,0,1,0,0|2,0,0]=4 1556 B12R1.8 FCSCCCc1ccccc1 62a_100015361967_100000211621 [0,1,0,1,0,0|2,0,0]=4 1557 B12R1.8 NCCCOCc1ccccc1 34a_100000182051_100015291786 [0,1,0,1,0,0|2,0,0]=4 1558 B12R1.8 NCCCOCc1ccccn1 34a_100000182051_100000721315 [0,1,0,1,0,0|2,0,0]=4 1559 B12R1.8 NCCOCCc1ccccc1 34a_100000210304_100000765856 [0,1,0,1,0,0|2,0,0]=4 1560 B12R1.8 OCCCCNc1ccccc1 34a_100000106764_100011216708 [0,1,0,1,0,0|2,0,0]=4 1561 B12R1.8 OCCCCOc1ccccc1 34a_100000210340_100011216708 [0,1,0,1,0,0|2,0,0]=4 1562 B12R1.8 OCCCCOc1ccccc1 7a_100000210340_100000210776 [0,1,0,1,0,0|2,0,0]=4 1563 B12R1.8 OCCCCSc1ccccc1 62a_100000210776_100000041952 [0,1,0,1,0,0|2,0,0]=4 1564 B12R1.8 OCCCCSc1ccccc1 62a_100000719477_100000210776 [0,1,0,1,0,0|2,0,0]=4 1565 B12R1.8 OCCCCSc1ccccn1 62a_100000210776_100011216584 [0,1,0,1,0,0|2,0,0]=4 1566 B12R1.8 OCCCCSc1ccccn1 62a_100011216584_100000210776 [0,1,0,1,0,0|2,0,0]=4 1567 B12R1.8 OCCCNCc1ccccc1 207a_100000182051_100015611070 [0,1,0,1,0,0|2,0,0]=4 1568 B12R1.8 OCCCNCc1ccccc1 2230a_100015324214_100000230001 [0,1,0,1,0,0|2,0,0]=4 1569 B12R1.8 OCCCNCc1ccccc1 270004a_100000182051_100015611070 [0,1,0,1,0,0|2,0,0]=4 1570 B12R1.8 OCCCNCc1ccccc1 34a_100015324214_100000230001 [0,1,0,1,0,0|2,0,0]=4 1571 B12R1.8 OCCCNCc1ccccn1 207a_100000182051_100000209966 [0,1,0,1,0,0|2,0,0]=4 1572 B12R1.8 OCCCNCc1ccccn1 270004a_100000182051_100000209966 [0,1,0,1,0,0|2,0,0]=4 1573 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [0,1,0,1,0,0|2,0,0]=4 1574 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [0,1,0,1,0,0|2,0,0]=4 1575 B12R1.8 OCCCSCc1ccccc1 62a_100000211182_100011215043 [0,1,0,1,0,0|2,0,0]=4 1576 B12R1.8 OCCCSCc1ccccc1 62a_100011215043_100015291786 [0,1,0,1,0,0|2,0,0]=4 1577 B12R1.8 OCCCSCc1ccccn1 62a_100000721315_100011215043 [0,1,0,1,0,0|2,0,0]=4 1578 B12R1.8 OCCCSCc1ccccn1 62a_100011215043_100000721315 [0,1,0,1,0,0|2,0,0]=4 1579 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [0,1,0,1,0,0|2,0,0]=4 1580 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [0,1,0,1,0,0|2,0,0]=4 1581 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [0,1,0,1,0,0|2,0,0]=4 1582 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [0,1,0,1,0,0|2,0,0]=4 1583 B12R1.8 OCCNCCc1ccccn1 2230a_100016997473_100015183660 [0,1,0,1,0,0|2,0,0]=4 1584 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [0,1,0,1,0,0|2,0,0]=4 1585 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [0,1,0,1,0,0|2,0,0]=4 1586 B12R1.8 OCCOCCc1ccccn1 34a_100000210271_100000211926 [0,1,0,1,0,0|2,0,0]=4 1587 B12R1.8 OCCSCCc1ccccc1 62a_100000211926_100011218657 [0,1,0,1,0,0|2,0,0]=4 1588 B12R1.8 OCCSCCc1ccccc1 62a_100000765856_100000211926 [0,1,0,1,0,0|2,0,0]=4 1589 B12R1.8 OCCSCCc1ccccn1 62a_100000211926_100015183660 [0,1,0,1,0,0|2,0,0]=4 1590 B12R1.8 OCCSCCc1ccccn1 62a_100015183660_100000211926 [0,1,0,1,0,0|2,0,0]=4 1591 B12R1.8 [13CH3]NCCCCc1ccccc1 2230a_100015280158_200025704644 [0,1,0,1,0,0|1,0,0]=3 1592 B12R1.8 [13CH3]NCCCCc1ccccc1 34a_100015280158_200025704644 [0,1,0,1,0,0|1,0,0]=3 1593 B12R1.8 [13CH3]NCCCOc1ccccc1 2230a_100000216521_200025704644 [0,1,0,1,0,0|2,0,0]=4 1594 B12R1.8 [13CH3]NCCCOc1ccccc1 34a_100000216521_200025704644 [0,1,0,1,0,0|2,0,0]=4 1595 B12R1.8 [13CH3]NCCCSc1ccccc1 2230a_100000184639_200025704644 [0,1,0,1,0,0|2,0,0]=4 1596 B12R1.8 [13CH3]NCCOCc1ccccc1 2230a_100000753106_200025704644 [0,1,0,1,0,0|2,0,0]=4 1597 B12R1.8 [13CH3]NCCOCc1ccccc1 34a_100000753106_200025704644 [0,1,0,1,0,0|2,0,0]=4 1598 B12R1.8 [13CH3]NCCSCc1ccccc1 2230a_100000189534_200025704644 [0,1,0,1,0,0|2,0,0]=4 1599 B12R1.8 [13CH3]NCCSCc1ccccc1 34a_100000189534_200025704644 [0,1,0,1,0,0|2,0,0]=4 1600 B12R1.8 [13CH3]NCCSCc1ccccc1 7a_100000189534_200025704644 [0,1,0,1,0,0|2,0,0]=4 1601 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [0,1,0,1,0,0|1,0,0]=3 1602 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [0,1,0,1,0,0|1,0,0]=3 1603 B12R1.8 [13CH3]OCCCCc1ccccn1 34a_100012186994_200025704644 [0,1,0,1,0,0|1,0,0]=3 1604 B12R1.8 [13CH3]OCCCCc1cccnc1 34a_100012039607_200025704644 [0,1,0,1,0,0|2,0,0]=4 1605 B12R1.8 [13CH3]OCCCCc1cccnc1 7a_100012039607_200025704644 [0,1,0,1,0,0|2,0,0]=4 1606 B12R1.8 [13CH3]OCCCCc1ccncc1 34a_100011787716_200025704644 [0,1,0,1,0,0|2,0,0]=4 1607 B12R1.8 [13CH3]OCCCNc1ccccc1 34a_100000212590_200025704644 [0,1,0,1,0,0|2,0,0]=4 1608 B12R1.8 [13CH3]OCCCOc1ccccc1 34a_100011215863_200025704644 [0,1,0,1,0,0|2,0,0]=4 1609 B12R1.8 [13CH3]OCCCOc1ccccc1 7a_100011215863_200025704644 [0,1,0,1,0,0|2,0,0]=4 1610 B12R1.8 [13CH3]OCCNCc1ccccc1 34a_100000180844_200025704644 [0,1,0,1,0,0|2,0,0]=4 1611 B12R1.8 [13CH3]OCCOCc1ccccc1 34a_100000759325_200025704644 [0,1,0,1,0,0|2,0,0]=4 1612 B12R1.8 [13CH3]OCCOCc1ccccc1 7a_100000759325_200025704644 [0,1,0,1,0,0|2,0,0]=4 1613 B12R1.8 [13CH3]OCCSCc1ccccc1 34a_100011205989_200025704644 [0,1,0,1,0,0|2,0,0]=4 1614 B12R1.8 [13CH3]OCCSCc1ccccc1 7a_100011205989_200025704644 [0,1,0,1,0,0|2,0,0]=4 1615 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_100000701786_200025704644 [0,1,0,1,0,0|1,0,0]=3 1616 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_200025704644_100000701786 [0,1,0,1,0,0|1,0,0]=3 1617 B12R1.8 [13CH3]SCCCCc1ccncc1 62a_100020630000_200025704644 [0,1,0,1,0,0|2,0,0]=4 1618 B12R1.8 [13CH3]SCCCCc1ccncc1 62a_200025704644_100020630000 [0,1,0,1,0,0|2,0,0]=4 1619 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_100000199009_200025704644 [0,1,0,1,0,0|2,0,0]=4 1620 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_200025704644_100000199009 [0,1,0,1,0,0|2,0,0]=4 1621 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200011203293_200025704644 [0,1,0,1,0,0|2,0,0]=4 1622 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200025704644_200011203293 [0,1,0,1,0,0|2,0,0]=4 1623 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_100000234347_200025704644 [0,1,0,1,0,0|2,0,0]=4 1624 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_200025704644_100000234347 [0,1,0,1,0,0|2,0,0]=4 1625 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200011297719_200025704644 [0,1,0,1,0,0|2,0,0]=4 1626 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200025704644_200011297719 [0,1,0,1,0,0|2,0,0]=4 1627 B12R1.18 CCCOc1cccccc1=O 34a_100000036025_100000210303 [0,1,0,1,0,0|0,0,2]=4 1628 B12R1.18 CCCOc1cccccc1=O 7a_100000036025_100000210303 [0,1,0,1,0,0|0,0,2]=4 1629 B12R1.37 C/C=C/C=C/COC1CCCC1 34a_100016283227_100000179811 [0,1,0,1,0,0|1,0,1]=4 1630 B12R1.37 CCCCCC=Cc1c[nH]cn1 271570a_100000062253_100000756875 [0,1,0,1,0,0|1,0,0]=3 1631 B12R1.37 CCCCCC=Cc1cc[nH]n1 271570a_100000062253_100000062575 [0,1,0,1,0,0|1,0,0]=3 1632 B12R1.37 CCCCCC=Cc1ccco1 271570a_100000062253_100009814098 [0,1,0,1,0,0|0,0,1]=3 1633 B12R1.37 CCCCCC=Cc1cccs1 271570a_100000062253_100011215356 [0,1,0,1,0,0|0,1,0]=3 1634 B12R1.37 CCCCCC=Cc1ccoc1 271570a_100000062253_100011215275 [0,1,0,1,0,0|0,0,1]=3 1635 B12R1.37 CCCCCC=Cc1ccsc1 271570a_100000062253_100000738268 [0,1,0,1,0,0|0,1,0]=3 1636 B12R1.37 CCCCCC=Cc1ccsn1 271570a_100000062253_100009818082 [0,1,0,1,0,0|0,1,0]=3 1637 B12R1.37 CCCCCC=Cc1cn[nH]c1 271570a_100000062253_100000238712 [0,1,0,1,0,0|2,0,0]=4 1638 B12R1.37 CCCCCC=Cc1cnco1 271570a_100000062253_100020591547 [0,1,0,1,0,0|0,0,1]=3 1639 B12R1.37 CCCCCC=Cc1cncs1 271570a_100000062253_100011934649 [0,1,0,1,0,0|0,1,0]=3 1640 B12R1.37 CCCCCC=Cc1cnoc1 271570a_100000062253_100009815712 [0,1,0,1,0,0|1,0,1]=4 1641 B12R1.37 CCCCCC=Cc1cnsc1 271570a_100000062253_100009815736 [0,1,0,1,0,0|1,1,0]=4 1642 B12R1.37 CCCCCC=Cc1cscn1 271570a_100000062253_100000751502 [0,1,0,1,0,0|1,0,0]=3 1643 B12R1.37 CCCCCC=Cc1nc[nH]n1 271570a_100000062253_100000761765 [0,1,0,1,0,0|2,0,0]=4 1644 B12R1.37 CCCCCC=Cc1ncc[nH]1 271570a_100000062253_100025796157 [0,1,0,1,0,0|1,0,0]=3 1645 B12R1.37 CCCCCC=Cc1ncco1 271570a_100000062253_100011787736 [0,1,0,1,0,0|0,0,1]=3 1646 B12R1.37 CCCCCC=Cc1nccs1 271570a_100000062253_100000211983 [0,1,0,1,0,0|0,1,0]=3 1647 B12R1.37 CCCCCC=Cc1ncns1 271570a_100000062253_100000693119 [0,1,0,1,0,0|1,1,0]=4 1648 B12R1.37 CCCCCC=Cc1nncs1 271570a_100000062253_100000739804 [0,1,0,1,0,0|1,1,0]=4 1649 B12R1.37 CCCCCCSc1ccco1 62a_100000210314_100009814098 [0,1,0,1,0,0|0,0,2]=4 1650 B12R1.37 CCCCCCSc1ccco1 62a_100009814098_100000210757 [0,1,0,1,0,0|0,0,2]=4 1651 B12R1.37 CCCCCCSc1cccs1 62a_100000210314_100011215356 [0,1,0,1,0,0|0,1,1]=4 1652 B12R1.37 CCCCCCSc1cccs1 62a_100011215356_100000210757 [0,1,0,1,0,0|0,1,1]=4 1653 B12R1.37 CCCCCNCc1ccco1 207a_100000209983_100000186105 [0,1,0,1,0,0|0,0,2]=4 1654 B12R1.37 CCCCCNCc1ccco1 2230a_100000185738_100000210326 [0,1,0,1,0,0|0,0,2]=4 1655 B12R1.37 CCCCCNCc1ccco1 270004a_100000209983_100000186105 [0,1,0,1,0,0|0,0,2]=4 1656 B12R1.37 CCCCCNCc1ccco1 34a_100000185738_100000718602 [0,1,0,1,0,0|0,0,2]=4 1657 B12R1.37 CCCCCNCc1cccs1 207a_100000209983_100000209959 [0,1,0,1,0,0|0,1,1]=4 1658 B12R1.37 CCCCCNCc1cccs1 2230a_100000211653_100000210326 [0,1,0,1,0,0|0,1,1]=4 1659 B12R1.37 CCCCCNCc1cccs1 270004a_100000209983_100000209959 [0,1,0,1,0,0|0,1,1]=4 1660 B12R1.37 CCCCCOCc1ccco1 34a_100000210059_100000718602 [0,1,0,1,0,0|0,0,2]=4 1661 B12R1.37 CCCCCOCc1cccs1 34a_100000211240_100000718602 [0,1,0,1,0,0|0,1,1]=4 1662 B12R1.37 CCCCNCCc1ccco1 2230a_100000694680_100000210211 [0,1,0,1,0,0|0,0,2]=4 1663 B12R1.37 CCCCNCCc1ccco1 34a_100000694680_100000210210 [0,1,0,1,0,0|0,0,2]=4 1664 B12R1.37 CCCCNCCc1cccs1 2230a_100000102301_100000748579 [0,1,0,1,0,0|0,1,1]=4 1665 B12R1.37 CCCCNCCc1cccs1 2230a_100000203755_100000210211 [0,1,0,1,0,0|0,1,1]=4 1666 B12R1.37 CCCCNCCc1cccs1 34a_100000203755_100000210210 [0,1,0,1,0,0|0,1,1]=4 1667 B12R1.37 CCCCNCCc1cccs1 7a_106832991798_100000748579 [0,1,0,1,0,0|0,1,1]=4 1668 B12R1.37 CCCCNN=Cc1ccc[nH]1 4a_100025702795_100000211237 [0,1,0,1,0,0|2,0,0]=4 1669 B12R1.37 CCCCNN=Cc1ccco1 4a_100025702795_100000186105 [0,1,0,1,0,0|1,0,1]=4 1670 B12R1.37 CCCCNN=Cc1cccs1 4a_100025702795_100000209959 [0,1,0,1,0,0|1,1,0]=4 1671 B12R1.37 CCCCOCCc1cccs1 34a_100000210227_100000748579 [0,1,0,1,0,0|0,1,1]=4 1672 B12R1.37 CCCCOCCc1cccs1 34a_100011216825_100000210210 [0,1,0,1,0,0|0,1,1]=4 1673 B12R1.37 CCCCOCCc1cccs1 7a_100000210227_100000748579 [0,1,0,1,0,0|0,1,1]=4 1674 B12R1.37 CCCCOCCc1cccs1 7a_100011216825_100000210211 [0,1,0,1,0,0|0,1,1]=4 1675 B12R1.37 CCCCOCSc1ccco1 62a_100009814098_100011995733 [0,1,0,1,0,0|1,0,1]=4 1676 B12R1.37 CCCCOCSc1ccco1 62a_100011995733_100009814098 [0,1,0,1,0,0|1,0,1]=4 1677 B12R1.37 CCCCOCSc1cccs1 62a_100011215356_100011995733 [0,1,0,1,0,0|1,1,0]=4 1678 B12R1.37 CCCCOCSc1cccs1 62a_100011995733_100011215356 [0,1,0,1,0,0|1,1,0]=4 1679 B12R1.37 CCCCSCCc1cccs1 62a_100000210211_100000748579 [0,1,0,1,0,0|0,1,1]=4 1680 B12R1.37 CCCCSCCc1cccs1 62a_100000748579_100000210210 [0,1,0,1,0,0|0,1,1]=4 1681 B12R1.37 CCCNCC=Cc1ccco1 270004a_100020643023_100000185671 [0,1,0,1,0,0|0,0,2]=4 1682 B12R1.37 CCCOCCCc1cccs1 34a_100000210258_100010992444 [0,1,0,1,0,0|0,1,1]=4 1683 B12R1.37 CCCOCCCc1cccs1 34a_100011713143_100000210303 [0,1,0,1,0,0|0,1,1]=4 1684 B12R1.37 CCCOCCCc1cccs1 7a_100011713143_100000210303 [0,1,0,1,0,0|0,1,1]=4 1685 B12R1.37 CCCOCCSc1ccco1 62a_100009814098_100011215938 [0,1,0,1,0,0|1,0,1]=4 1686 B12R1.37 CCCOCCSc1ccco1 62a_100011215938_100009814098 [0,1,0,1,0,0|1,0,1]=4 1687 B12R1.37 CCCOCCSc1cccs1 62a_100011215356_100011215938 [0,1,0,1,0,0|1,1,0]=4 1688 B12R1.37 CCCOCCSc1cccs1 62a_100011215938_100011215356 [0,1,0,1,0,0|1,1,0]=4 1689 B12R1.37 CCCSCCCc1cccs1 62a_100000210303_100010992444 [0,1,0,1,0,0|0,1,1]=4 1690 B12R1.37 CCCSCCCc1cccs1 62a_100010992444_100000210303 [0,1,0,1,0,0|0,1,1]=4 1691 B12R1.37 CCOCCCSc1ccco1 62a_100009814098_100012232248 [0,1,0,1,0,0|1,0,1]=4 1692 B12R1.37 CCOCCCSc1ccco1 62a_100012232248_100009814098 [0,1,0,1,0,0|1,0,1]=4 1693 B12R1.37 CCOCCCSc1cccs1 62a_100011215356_100012232248 [0,1,0,1,0,0|1,1,0]=4 1694 B12R1.37 CCOCCCSc1cccs1 62a_100012232248_100011215356 [0,1,0,1,0,0|1,1,0]=4 1695 B12R1.37 COCCCCSc1ccco1 62a_100000730899_100009814098 [0,1,0,1,0,0|1,0,1]=4 1696 B12R1.37 COCCCCSc1ccco1 62a_100009814098_100000730899 [0,1,0,1,0,0|1,0,1]=4 1697 B12R1.37 COCCCCSc1cccs1 62a_100000730899_100011215356 [0,1,0,1,0,0|1,1,0]=4 1698 B12R1.37 COCCCCSc1cccs1 62a_100011215356_100000730899 [0,1,0,1,0,0|1,1,0]=4 1699 B12R1.37 FCCCCCSc1ccco1 62a_100000729378_100009814098 [0,1,0,1,0,0|1,0,1]=4 1700 B12R1.37 FCCCCCSc1ccco1 62a_100009814098_100000729378 [0,1,0,1,0,0|1,0,1]=4 1701 B12R1.37 FCCCCCSc1cccs1 62a_100000729378_100011215356 [0,1,0,1,0,0|1,1,0]=4 1702 B12R1.37 FCCCCCSc1cccs1 62a_100011215356_100000729378 [0,1,0,1,0,0|1,1,0]=4 1703 B12R1.37 OCCCCCSc1ccco1 62a_100000746330_100009814098 [0,1,0,1,0,0|1,0,1]=4 1704 B12R1.37 OCCCCCSc1ccco1 62a_100009814098_100000746330 [0,1,0,1,0,0|1,0,1]=4 1705 B12R1.37 OCCCCCSc1cccs1 62a_100000746330_100011215356 [0,1,0,1,0,0|1,1,0]=4 1706 B12R1.37 OCCCCCSc1cccs1 62a_100011215356_100000746330 [0,1,0,1,0,0|1,1,0]=4 1707 B12R1.45 CCCC=Cc1ccoc1C=O 271570a_100016258520_100000756499 [0,1,0,1,0,0|0,0,2]=4 1708 B12R1.45 CCCC=Cc1ccsc1C=O 271570a_100016258520_100000766043 [0,1,0,1,0,0|0,0,2]=4 1709 B12R1.45 CCCC=Cc1cscc1C=O 271570a_100016258520_100000685484 [0,1,0,1,0,0|0,0,2]=4 1710 B12R1.45 CCCC=Cc1sccc1C=O 271570a_100016258520_100009816921 [0,1,0,1,0,0|0,0,2]=4 1711 B12R1.45 CCCCSc1[nH]cnc1C=O 62a_100000210211_100015192532 [0,1,0,1,0,0|2,0,0]=4 1712 B12R1.45 CCCCSc1[nH]cnc1C=O 62a_100015192532_100000210210 [0,1,0,1,0,0|2,0,0]=4 1713 B12R1.45 CCCCSc1ccoc1C=O 62a_100000210211_100000756499 [0,1,0,1,0,0|1,0,0]=3 1714 B12R1.45 CCCCSc1ccoc1C=O 62a_100000756499_100000210210 [0,1,0,1,0,0|1,0,0]=3 1715 B12R1.45 CCCCSc1ccsc1C=O 62a_100000210211_100000766043 [0,1,0,1,0,0|1,0,0]=3 1716 B12R1.45 CCCCSc1ccsc1C=O 62a_100000766043_100000210210 [0,1,0,1,0,0|1,0,0]=3 1717 B12R1.45 CCCCSc1cn[nH]c1C=O 62a_100000210211_100000732679 [0,1,0,1,0,0|2,0,0]=4 1718 B12R1.45 CCCCSc1cn[nH]c1C=O 62a_100000732679_100000210210 [0,1,0,1,0,0|2,0,0]=4 1719 B12R1.45 CCCCSc1cscc1C=O 62a_100000210211_100000685484 [0,1,0,1,0,0|1,0,0]=3 1720 B12R1.45 CCCCSc1cscc1C=O 62a_100000685484_100000210210 [0,1,0,1,0,0|1,0,0]=3 1721 B12R1.45 CCCCSc1sccc1C=O 62a_100000210211_100009816921 [0,1,0,1,0,0|1,0,0]=3 1722 B12R1.45 CCCCSc1sccc1C=O 62a_100009816921_100000210210 [0,1,0,1,0,0|1,0,0]=3 1723 B12R1.45 CCOCSc1ccoc1C=O 62a_100000739092_100000756499 [0,1,0,1,0,0|2,0,0]=4 1724 B12R1.45 CCOCSc1ccoc1C=O 62a_100000756499_100000739092 [0,1,0,1,0,0|2,0,0]=4 1725 B12R1.45 CCOCSc1ccsc1C=O 62a_100000739092_100000766043 [0,1,0,1,0,0|2,0,0]=4 1726 B12R1.45 CCOCSc1ccsc1C=O 62a_100000766043_100000739092 [0,1,0,1,0,0|2,0,0]=4 1727 B12R1.45 CCOCSc1cscc1C=O 62a_100000685484_100000739092 [0,1,0,1,0,0|2,0,0]=4 1728 B12R1.45 CCOCSc1cscc1C=O 62a_100000739092_100000685484 [0,1,0,1,0,0|2,0,0]=4 1729 B12R1.45 CCOCSc1sccc1C=O 62a_100000739092_100009816921 [0,1,0,1,0,0|2,0,0]=4 1730 B12R1.45 CCOCSc1sccc1C=O 62a_100009816921_100000739092 [0,1,0,1,0,0|2,0,0]=4 1731 B12R1.45 COCCSc1ccoc1C=O 62a_100000233755_100000756499 [0,1,0,1,0,0|2,0,0]=4 1732 B12R1.45 COCCSc1ccoc1C=O 62a_100000756499_100000233755 [0,1,0,1,0,0|2,0,0]=4 1733 B12R1.45 COCCSc1ccsc1C=O 62a_100000233755_100000766043 [0,1,0,1,0,0|2,0,0]=4 1734 B12R1.45 COCCSc1ccsc1C=O 62a_100000766043_100000233755 [0,1,0,1,0,0|2,0,0]=4 1735 B12R1.45 COCCSc1cscc1C=O 62a_100000233755_100000685484 [0,1,0,1,0,0|2,0,0]=4 1736 B12R1.45 COCCSc1cscc1C=O 62a_100000685484_100000233755 [0,1,0,1,0,0|2,0,0]=4 1737 B12R1.45 COCCSc1sccc1C=O 62a_100000233755_100009816921 [0,1,0,1,0,0|2,0,0]=4 1738 B12R1.45 COCCSc1sccc1C=O 62a_100009816921_100000233755 [0,1,0,1,0,0|2,0,0]=4 1739 B12R1.45 CSCCSc1ccoc1C=O 62a_100000212216_100000756499 [0,1,0,1,0,0|2,0,0]=4 1740 B12R1.45 CSCCSc1ccoc1C=O 62a_100000756499_100000751147 [0,1,0,1,0,0|2,0,0]=4 1741 B12R1.45 CSCCSc1ccsc1C=O 62a_100000212216_100000766043 [0,1,0,1,0,0|2,0,0]=4 1742 B12R1.45 CSCCSc1ccsc1C=O 62a_100000766043_100000751147 [0,1,0,1,0,0|2,0,0]=4 1743 B12R1.45 CSCCSc1cscc1C=O 62a_100000212216_100000685484 [0,1,0,1,0,0|2,0,0]=4 1744 B12R1.45 CSCCSc1cscc1C=O 62a_100000685484_100000751147 [0,1,0,1,0,0|2,0,0]=4 1745 B12R1.45 CSCCSc1sccc1C=O 62a_100000212216_100009816921 [0,1,0,1,0,0|2,0,0]=4 1746 B12R1.45 CSCCSc1sccc1C=O 62a_100009816921_100000751147 [0,1,0,1,0,0|2,0,0]=4 1747 B12R1.45 O=Cc1ccsc1SCCCF 62a_100009816921_100011934791 [0,1,0,1,0,0|2,0,0]=4 1748 B12R1.45 O=Cc1ccsc1SCCCF 62a_100011934791_100009816921 [0,1,0,1,0,0|2,0,0]=4 1749 B12R1.45 O=Cc1ccsc1SCCCO 62a_100009816921_100011215043 [0,1,0,1,0,0|2,0,0]=4 1750 B12R1.45 O=Cc1ccsc1SCCCO 62a_100011215043_100009816921 [0,1,0,1,0,0|2,0,0]=4 1751 B12R1.45 O=Cc1cscc1SCCCF 62a_100000685484_100011934791 [0,1,0,1,0,0|2,0,0]=4 1752 B12R1.45 O=Cc1cscc1SCCCF 62a_100011934791_100000685484 [0,1,0,1,0,0|2,0,0]=4 1753 B12R1.45 O=Cc1cscc1SCCCO 62a_100000685484_100011215043 [0,1,0,1,0,0|2,0,0]=4 1754 B12R1.45 O=Cc1cscc1SCCCO 62a_100011215043_100000685484 [0,1,0,1,0,0|2,0,0]=4 1755 B12R1.45 O=Cc1occc1SCCCF 62a_100000756499_100011934791 [0,1,0,1,0,0|2,0,0]=4 1756 B12R1.45 O=Cc1occc1SCCCF 62a_100011934791_100000756499 [0,1,0,1,0,0|2,0,0]=4 1757 B12R1.45 O=Cc1occc1SCCCO 62a_100000756499_100011215043 [0,1,0,1,0,0|2,0,0]=4 1758 B12R1.45 O=Cc1occc1SCCCO 62a_100011215043_100000756499 [0,1,0,1,0,0|2,0,0]=4 1759 B12R1.45 O=Cc1sccc1SCCCF 62a_100000766043_100011934791 [0,1,0,1,0,0|2,0,0]=4 1760 B12R1.45 O=Cc1sccc1SCCCF 62a_100011934791_100000766043 [0,1,0,1,0,0|2,0,0]=4 1761 B12R1.45 O=Cc1sccc1SCCCO 62a_100000766043_100011215043 [0,1,0,1,0,0|2,0,0]=4 1762 B12R1.45 O=Cc1sccc1SCCCO 62a_100011215043_100000766043 [0,1,0,1,0,0|2,0,0]=4 1763 B12R1.121 CCCCc1ccccc1C#N 271570a_100020621405_100000188569 [0,1,0,1,0,0|1,0,1]=4 1764 B12R1.121 CCCCc1ccccc1C=O 271570a_100020621405_100000211189 [0,1,0,1,0,0|0,0,1]=3 1765 B12R1.121 CCCCc1ccccc1CC 271570a_100020621405_100011215823 [0,1,0,1,0,0|1,0,1]=4 1766 B12R1.121 CCCCc1ccccc1CN 271570a_100020621405_100000689332 [0,1,0,1,0,0|1,0,1]=4 1767 B12R1.121 CCCCc1ccccc1CO 271570a_100020621405_100000187465 [0,1,0,1,0,0|0,0,2]=4 1768 B12R1.121 CCCCc1ccccc1NC 2230a_200011217597_200000210301 [0,1,0,1,0,0|1,0,1]=4 1769 B12R1.121 CCCCc1ccccc1NC 271570a_100020621405_100020606079 [0,1,0,1,0,0|1,0,1]=4 1770 B12R1.121 CCCCc1ccccc1NC 34a_200011217597_200000210301 [0,1,0,1,0,0|1,0,1]=4 1771 B12R1.121 CCCCc1ccccc1NC 7a_200011217597_200000210301 [0,1,0,1,0,0|1,0,1]=4 1772 B12R1.121 CCCCc1ccccc1NN 271570a_100020621405_100000241748 [0,1,0,1,0,0|1,0,1]=4 1773 B12R1.121 CCCCc1ccccc1N[13CH3] 2230a_200011217597_200025704644 [0,1,0,1,0,0|1,0,1]=4 1774 B12R1.121 CCCCc1ccccc1N[13CH3] 34a_200011217597_200025704644 [0,1,0,1,0,0|1,0,1]=4 1775 B12R1.121 CCCCc1ccccc1N[13CH3] 7a_200011217597_200025704644 [0,1,0,1,0,0|1,0,1]=4 1776 B12R1.121 CCCCc1ccccc1OC 271570a_100020621405_100000174000 [0,1,0,1,0,0|0,0,2]=4 1777 B12R1.121 CCCCc1ccccc1SC 271570a_100020621405_100011217816 [0,1,0,1,0,0|0,1,1]=4 1778 B12R1.121 CCCCc1cccnc1C=O 271570a_100020621405_100011934733 [0,1,0,1,0,0|0,0,1]=3 1779 B12R1.121 CCCCc1ccncc1C=O 271570a_100020621405_100000050567 [0,1,0,1,0,0|0,0,1]=3 1780 B12R1.121 CCCCc1cnccc1C=O 271570a_100020621405_100011934409 [0,1,0,1,0,0|0,0,1]=3 1781 B12R1.121 CCCCc1ncccc1C=O 271570a_100020621405_100009816751 [0,1,0,1,0,0|0,0,1]=3 1782 B12R1.121 CCCSc1ccccc1C=O 62a_100000210073_100000210303 [0,1,0,1,0,0|0,0,2]=4 1783 B12R1.121 CCCSc1ccccc1C=O 62a_100000210303_100000210073 [0,1,0,1,0,0|0,0,2]=4 1784 B12R1.121 CCCSc1cccnc1C=O 62a_100000210303_100011934733 [0,1,0,1,0,0|1,0,1]=4 1785 B12R1.121 CCCSc1cccnc1C=O 62a_100011934733_100000210303 [0,1,0,1,0,0|1,0,1]=4 1786 B12R1.121 CCCSc1ccncc1C=O 62a_100000050567_100000210303 [0,1,0,1,0,0|1,0,1]=4 1787 B12R1.121 CCCSc1ccncc1C=O 62a_100000210303_100000050567 [0,1,0,1,0,0|1,0,1]=4 1788 B12R1.121 CCCSc1cnccc1C=O 62a_100000210303_100011934409 [0,1,0,1,0,0|1,0,1]=4 1789 B12R1.121 CCCSc1cnccc1C=O 62a_100011934409_100000210303 [0,1,0,1,0,0|1,0,1]=4 1790 B12R1.121 CCCSc1ncccc1C=O 62a_100000210303_100009816751 [0,1,0,1,0,0|1,0,1]=4 1791 B12R1.121 CCCSc1ncccc1C=O 62a_100009816751_100000210303 [0,1,0,1,0,0|1,0,1]=4 1792 B12R1.121 CCNCc1ccccc1C=O 2230a_100015525214_200009853537 [0,1,0,1,0,0|0,0,2]=4 1793 B12R1.121 CCOCc1ccccc1C=O 34a_100121572206_200009853537 [0,1,0,1,0,0|0,0,2]=4 1794 B12R1.121 CCSCc1ccccc1C=O 62a_100000210202_200009853537 [0,1,0,1,0,0|0,0,2]=4 1795 B12R1.121 CCSCc1ccccc1C=O 62a_200009853537_100000210202 [0,1,0,1,0,0|0,0,2]=4 1796 B12R1.121 CNCCc1ccccc1C=O 2230a_106832991635_100010186698 [0,1,0,1,0,0|0,0,2]=4 1797 B12R1.121 CNCCc1ccccc1C=O 34a_100102657272_100010186698 [0,1,0,1,0,0|0,0,2]=4 1798 B12R1.121 CNCCc1ccccc1C=O 7a_106832991635_100010186698 [0,1,0,1,0,0|0,0,2]=4 1799 B12R1.121 COCCc1ccccc1C=O 34a_100138415774_100010186698 [0,1,0,1,0,0|0,0,2]=4 1800 B12R1.121 CSCCc1ccccc1C=O 62a_100010186698_200000210301 [0,1,0,1,0,0|0,0,2]=4 1801 B12R1.121 CSCCc1ccccc1C=O 62a_200000210301_100010186698 [0,1,0,1,0,0|0,0,2]=4 1802 B12R1.121 [13CH3]SCCc1ccccc1C=O 62a_100010186698_200025704644 [0,1,0,1,0,0|0,0,2]=4 1803 B12R1.121 [13CH3]SCCc1ccccc1C=O 62a_200025704644_100010186698 [0,1,0,1,0,0|0,0,2]=4 1804 B12R1.267 CCCC=Cc1c[nH]ccc1=O 271570a_100016258520_100009998708 [0,1,0,1,0,0|0,0,2]=4 1805 B12R1.267 CCCC=Cc1ccc[nH]c1=O 271570a_100016258520_100000050042 [0,1,0,1,0,0|0,0,2]=4 1806 B12R1.267 CCCCCc1ncncc1O 271570a_203496583355_100009816991 [0,1,0,1,0,0|1,0,1]=4 1807 B12R1.267 CCCCNc1ccccc1Br 34a_100000210017_100000210210 [0,1,0,1,0,0|1,0,1]=4 1808 B12R1.267 CCCCNc1ccccc1C 34a_100015192222_100000210210 [0,1,0,1,0,0|1,0,1]=4 1809 B12R1.267 CCCCNc1ccccc1Cl 34a_100000185783_100000210210 [0,1,0,1,0,0|1,0,1]=4 1810 B12R1.267 CCCCNc1ccccc1F 34a_100000210422_100000210210 [0,1,0,1,0,0|1,0,1]=4 1811 B12R1.267 CCCCNc1ccccc1I 34a_100000210053_100000210210 [0,1,0,1,0,0|1,0,1]=4 1812 B12R1.267 CCCCNc1ccccc1O 34a_100000185747_100000210210 [0,1,0,1,0,0|0,0,2]=4 1813 B12R1.267 CCCCNc1ccn[nH]c1=O 27a_100000102301_100000087129 [0,1,0,1,0,0|2,0,0]=4 1814 B12R1.267 CCCCNc1ccncc1Br 27a_100000102301_100000726257 [0,1,0,1,0,0|2,0,0]=4 1815 B12R1.267 CCCCNc1ccncc1C 27a_100000102301_100000765111 [0,1,0,1,0,0|2,0,0]=4 1816 B12R1.267 CCCCNc1ccncc1F 27a_100000102301_100000035921 [0,1,0,1,0,0|2,0,0]=4 1817 B12R1.267 CCCCNc1ncccc1Br 27a_100000102301_100000696092 [0,1,0,1,0,0|2,0,0]=4 1818 B12R1.267 CCCCOc1cccc[n+]1[O-] 7a_100000211761_100000210211 [0,1,0,1,0,0|1,0,1]=4 1819 B12R1.267 CCCCOc1ccccc1Br 34a_100000181306_100000210210 [0,1,0,1,0,0|1,0,1]=4 1820 B12R1.267 CCCCOc1ccccc1Br 7a_100000181306_100000210211 [0,1,0,1,0,0|1,0,1]=4 1821 B12R1.267 CCCCOc1ccccc1C 34a_100000210338_100000210210 [0,1,0,1,0,0|1,0,1]=4 1822 B12R1.267 CCCCOc1ccccc1C 7a_100000210338_100000210211 [0,1,0,1,0,0|1,0,1]=4 1823 B12R1.267 CCCCOc1ccccc1Cl 34a_100000210172_100000210210 [0,1,0,1,0,0|1,0,1]=4 1824 B12R1.267 CCCCOc1ccccc1Cl 7a_100000210172_100000210211 [0,1,0,1,0,0|1,0,1]=4 1825 B12R1.267 CCCCOc1ccccc1F 34a_100000210171_100000210210 [0,1,0,1,0,0|1,0,1]=4 1826 B12R1.267 CCCCOc1ccccc1F 7a_100000210171_100000210211 [0,1,0,1,0,0|1,0,1]=4 1827 B12R1.267 CCCCOc1ccccc1I 34a_100000739446_100000210210 [0,1,0,1,0,0|1,0,1]=4 1828 B12R1.267 CCCCOc1ccccc1I 7a_100000739446_100000210211 [0,1,0,1,0,0|1,0,1]=4 1829 B12R1.267 CCCCOc1ccccc1N 34a_100000185747_100000210210 [0,1,0,1,0,0|1,0,1]=4 1830 B12R1.267 CCCCOc1ccccc1N 7a_100000185747_100000210211 [0,1,0,1,0,0|1,0,1]=4 1831 B12R1.267 CCCCOc1ccccc1O 271570a_203496583355_100000230755 [0,1,0,1,0,0|0,0,2]=4 1832 B12R1.267 CCCCOc1cccnc1Br 34a_100000744436_100000210210 [0,1,0,1,0,0|2,0,0]=4 1833 B12R1.267 CCCCOc1cccnc1Br 7a_100000744436_100000210211 [0,1,0,1,0,0|2,0,0]=4 1834 B12R1.267 CCCCOc1cccnc1C 34a_100000745507_100000210210 [0,1,0,1,0,0|2,0,0]=4 1835 B12R1.267 CCCCOc1cccnc1C 7a_100000745507_100000210211 [0,1,0,1,0,0|2,0,0]=4 1836 B12R1.267 CCCCOc1cccnc1Cl 34a_100000757616_100000210210 [0,1,0,1,0,0|2,0,0]=4 1837 B12R1.267 CCCCOc1cccnc1Cl 7a_100000757616_100000210211 [0,1,0,1,0,0|2,0,0]=4 1838 B12R1.267 CCCCOc1cccnc1F 34a_100000061740_100000210210 [0,1,0,1,0,0|2,0,0]=4 1839 B12R1.267 CCCCOc1cccnc1F 7a_100000061740_100000210211 [0,1,0,1,0,0|2,0,0]=4 1840 B12R1.267 CCCCOc1cccnc1I 34a_100000034122_100000210210 [0,1,0,1,0,0|2,0,0]=4 1841 B12R1.267 CCCCOc1cccnc1I 7a_100000034122_100000210211 [0,1,0,1,0,0|2,0,0]=4 1842 B12R1.267 CCCCOc1cccnc1N 34a_100000211975_100000210210 [0,1,0,1,0,0|2,0,0]=4 1843 B12R1.267 CCCCOc1cccnc1N 7a_100000211975_100000210211 [0,1,0,1,0,0|2,0,0]=4 1844 B12R1.267 CCCCOc1cccoc1=O 34a_100000077404_100000210210 [0,1,0,1,0,0|1,0,0]=3 1845 B12R1.267 CCCCOc1cccoc1=O 7a_100000077404_100000210211 [0,1,0,1,0,0|1,0,0]=3 1846 B12R1.267 CCCCOc1ccncc1Br 34a_100011996408_100000210210 [0,1,0,1,0,0|2,0,0]=4 1847 B12R1.267 CCCCOc1ccncc1C 34a_100000694293_100000210210 [0,1,0,1,0,0|2,0,0]=4 1848 B12R1.267 CCCCOc1ccncc1Cl 34a_100011997054_100000210210 [0,1,0,1,0,0|2,0,0]=4 1849 B12R1.267 CCCCOc1ccncc1F 34a_200000081243_100000210210 [0,1,0,1,0,0|2,0,0]=4 1850 B12R1.267 CCCCOc1cnccc1C 34a_100011997053_100000210210 [0,1,0,1,0,0|2,0,0]=4 1851 B12R1.267 CCCCOc1cnccc1C 7a_100011997053_100000210211 [0,1,0,1,0,0|2,0,0]=4 1852 B12R1.267 CCCCOc1cnccc1Cl 34a_100011996695_100000210210 [0,1,0,1,0,0|2,0,0]=4 1853 B12R1.267 CCCCOc1cnccc1I 34a_100000050107_100000210210 [0,1,0,1,0,0|2,0,0]=4 1854 B12R1.267 CCCCOc1cnccc1N 34a_100000753702_100000210210 [0,1,0,1,0,0|2,0,0]=4 1855 B12R1.267 CCCCOc1coccc1=O 34a_100000060831_100000210210 [0,1,0,1,0,0|1,0,0]=3 1856 B12R1.267 CCCCOc1ncccc1Cl 34a_100011290957_100000210210 [0,1,0,1,0,0|2,0,0]=4 1857 B12R1.267 CCCCOc1ncccc1F 34a_100011219419_100000210210 [0,1,0,1,0,0|2,0,0]=4 1858 B12R1.267 CCCCOc1ncccc1N 34a_100000746358_100000210210 [0,1,0,1,0,0|2,0,0]=4 1859 B12R1.267 CCCCSc1c[nH]ccc1=O 62a_100000210211_100009998708 [0,1,0,1,0,0|1,0,0]=3 1860 B12R1.267 CCCCSc1c[nH]ccc1=O 62a_100009998708_100000210210 [0,1,0,1,0,0|1,0,0]=3 1861 B12R1.267 CCCCSc1c[nH]ccc1=S 62a_100000210211_200012280681 [0,1,0,1,0,0|1,1,0]=4 1862 B12R1.267 CCCCSc1c[nH]ccc1=S 62a_200012280681_100000210210 [0,1,0,1,0,0|1,1,0]=4 1863 B12R1.267 CCCCSc1cccc[n+]1C 62a_100000210211_100000212160 [0,1,0,1,0,0|2,0,0]=4 1864 B12R1.267 CCCCSc1cccc[n+]1[O-] 62a_100000210211_200000042595 [0,1,0,1,0,0|1,0,1]=4 1865 B12R1.267 CCCCSc1ccccc1Br 62a_100000210211_100000695589 [0,1,0,1,0,0|1,0,1]=4 1866 B12R1.267 CCCCSc1ccccc1Br 62a_100000695589_100000210210 [0,1,0,1,0,0|1,0,1]=4 1867 B12R1.267 CCCCSc1ccccc1C 62a_100000210211_100000210755 [0,1,0,1,0,0|1,0,1]=4 1868 B12R1.267 CCCCSc1ccccc1C 62a_100000210755_100000210210 [0,1,0,1,0,0|1,0,1]=4 1869 B12R1.267 CCCCSc1ccccc1Cl 62a_100000210211_100000764095 [0,1,0,1,0,0|1,0,1]=4 1870 B12R1.267 CCCCSc1ccccc1Cl 62a_100000764095_100000210210 [0,1,0,1,0,0|1,0,1]=4 1871 B12R1.267 CCCCSc1ccccc1F 62a_100000210211_100011215700 [0,1,0,1,0,0|1,0,1]=4 1872 B12R1.267 CCCCSc1ccccc1F 62a_100011215700_100000210210 [0,1,0,1,0,0|1,0,1]=4 1873 B12R1.267 CCCCSc1ccccc1N 62a_100000210017_100000210210 [0,1,0,1,0,0|1,0,1]=4 1874 B12R1.267 CCCCSc1ccccc1N 62a_100000210211_100000210017 [0,1,0,1,0,0|1,0,1]=4 1875 B12R1.267 CCCCSc1ccccc1O 62a_100000210211_100000739446 [0,1,0,1,0,0|0,0,2]=4 1876 B12R1.267 CCCCSc1ccccc1O 62a_100000739446_100000210210 [0,1,0,1,0,0|0,0,2]=4 1877 B12R1.267 CCCCSc1cccnc1Br 62a_100000210211_100010202626 [0,1,0,1,0,0|2,0,0]=4 1878 B12R1.267 CCCCSc1cccnc1Br 62a_100010202626_100000210210 [0,1,0,1,0,0|2,0,0]=4 1879 B12R1.267 CCCCSc1cccnc1C 62a_100000210211_100000751574 [0,1,0,1,0,0|2,0,0]=4 1880 B12R1.267 CCCCSc1cccnc1C 62a_100000751574_100000210210 [0,1,0,1,0,0|2,0,0]=4 1881 B12R1.267 CCCCSc1cccnc1Cl 62a_100000036424_100000210210 [0,1,0,1,0,0|2,0,0]=4 1882 B12R1.267 CCCCSc1cccnc1Cl 62a_100000210211_100000036424 [0,1,0,1,0,0|2,0,0]=4 1883 B12R1.267 CCCCSc1cccnc1F 62a_100000210211_100009816115 [0,1,0,1,0,0|2,0,0]=4 1884 B12R1.267 CCCCSc1cccnc1F 62a_100009816115_100000210210 [0,1,0,1,0,0|2,0,0]=4 1885 B12R1.267 CCCCSc1cccnc1N 62a_100000045569_100000210210 [0,1,0,1,0,0|2,0,0]=4 1886 B12R1.267 CCCCSc1cccnc1N 62a_100000210211_100000045569 [0,1,0,1,0,0|2,0,0]=4 1887 B12R1.267 CCCCSc1cccnc1O 62a_100000210211_100000760158 [0,1,0,1,0,0|1,0,1]=4 1888 B12R1.267 CCCCSc1cccnc1O 62a_100000760158_100000210210 [0,1,0,1,0,0|1,0,1]=4 1889 B12R1.267 CCCCSc1ccn[nH]c1=O 62a_100000210211_100000087129 [0,1,0,1,0,0|2,0,0]=4 1890 B12R1.267 CCCCSc1ccncc1Br 62a_100000210211_100000726257 [0,1,0,1,0,0|2,0,0]=4 1891 B12R1.267 CCCCSc1ccncc1Br 62a_100000726257_100000210210 [0,1,0,1,0,0|2,0,0]=4 1892 B12R1.267 CCCCSc1ccncc1C 62a_100000210211_100000765111 [0,1,0,1,0,0|2,0,0]=4 1893 B12R1.267 CCCCSc1ccncc1C 62a_100000765111_100000210210 [0,1,0,1,0,0|2,0,0]=4 1894 B12R1.267 CCCCSc1ccncc1Cl 62a_100000210211_100000708259 [0,1,0,1,0,0|2,0,0]=4 1895 B12R1.267 CCCCSc1ccncc1Cl 62a_100000708259_100000210210 [0,1,0,1,0,0|2,0,0]=4 1896 B12R1.267 CCCCSc1ccncc1F 62a_100000047030_100000210210 [0,1,0,1,0,0|2,0,0]=4 1897 B12R1.267 CCCCSc1ccncc1F 62a_100000210211_100000047030 [0,1,0,1,0,0|2,0,0]=4 1898 B12R1.267 CCCCSc1ccncc1N 62a_100000210211_100000756074 [0,1,0,1,0,0|2,0,0]=4 1899 B12R1.267 CCCCSc1ccncc1N 62a_100000756074_100000210210 [0,1,0,1,0,0|2,0,0]=4 1900 B12R1.267 CCCCSc1ccncc1O 62a_100000210211_100009817591 [0,1,0,1,0,0|1,0,1]=4 1901 B12R1.267 CCCCSc1ccncc1O 62a_100009817591_100000210210 [0,1,0,1,0,0|1,0,1]=4 1902 B12R1.267 CCCCSc1cnccc1Br 62a_100000210211_100010138639 [0,1,0,1,0,0|2,0,0]=4 1903 B12R1.267 CCCCSc1cnccc1Br 62a_100010138639_100000210210 [0,1,0,1,0,0|2,0,0]=4 1904 B12R1.267 CCCCSc1cnccc1C 62a_100000210211_100000761580 [0,1,0,1,0,0|2,0,0]=4 1905 B12R1.267 CCCCSc1cnccc1C 62a_100000761580_100000210210 [0,1,0,1,0,0|2,0,0]=4 1906 B12R1.267 CCCCSc1cnccc1Cl 62a_100000210211_100009995489 [0,1,0,1,0,0|2,0,0]=4 1907 B12R1.267 CCCCSc1cnccc1Cl 62a_100009995489_100000210210 [0,1,0,1,0,0|2,0,0]=4 1908 B12R1.267 CCCCSc1cnccc1F 62a_100000210211_100009820683 [0,1,0,1,0,0|2,0,0]=4 1909 B12R1.267 CCCCSc1cnccc1F 62a_100009820683_100000210210 [0,1,0,1,0,0|2,0,0]=4 1910 B12R1.267 CCCCSc1cnccc1N 62a_100000047001_100000210210 [0,1,0,1,0,0|2,0,0]=4 1911 B12R1.267 CCCCSc1cnccc1N 62a_100000210211_100000047001 [0,1,0,1,0,0|2,0,0]=4 1912 B12R1.267 CCCCSc1ncc[nH]c1=O 62a_100000210211_100000763361 [0,1,0,1,0,0|2,0,0]=4 1913 B12R1.267 CCCCSc1ncccc1Br 62a_100000210211_100000696092 [0,1,0,1,0,0|2,0,0]=4 1914 B12R1.267 CCCCSc1ncccc1Br 62a_100000696092_100000210210 [0,1,0,1,0,0|2,0,0]=4 1915 B12R1.267 CCCCSc1ncccc1C 62a_100000210211_100000751373 [0,1,0,1,0,0|2,0,0]=4 1916 B12R1.267 CCCCSc1ncccc1C 62a_100000751373_100000210210 [0,1,0,1,0,0|2,0,0]=4 1917 B12R1.267 CCCCSc1ncccc1Cl 62a_100000210211_100011356963 [0,1,0,1,0,0|2,0,0]=4 1918 B12R1.267 CCCCSc1ncccc1Cl 62a_100011356963_100000210210 [0,1,0,1,0,0|2,0,0]=4 1919 B12R1.267 CCCCSc1ncccc1F 62a_100000210211_100000685392 [0,1,0,1,0,0|2,0,0]=4 1920 B12R1.267 CCCCSc1ncccc1F 62a_100000685392_100000210210 [0,1,0,1,0,0|2,0,0]=4 1921 B12R1.267 CCCCSc1ncccc1N 62a_100000210211_100000688686 [0,1,0,1,0,0|2,0,0]=4 1922 B12R1.267 CCCCSc1ncccc1N 62a_100000688686_100000210210 [0,1,0,1,0,0|2,0,0]=4 1923 B12R1.267 CCCCSc1ncccc1O 62a_100000034122_100000210210 [0,1,0,1,0,0|1,0,1]=4 1924 B12R1.267 CCCCSc1ncccc1O 62a_100000210211_100000034122 [0,1,0,1,0,0|1,0,1]=4 1925 B12R1.267 CCCNCc1ccccc1Br 207a_100020643023_100000211189 [0,1,0,1,0,0|1,0,1]=4 1926 B12R1.267 CCCNCc1ccccc1Br 2230a_100000689332_100000210303 [0,1,0,1,0,0|1,0,1]=4 1927 B12R1.267 CCCNCc1ccccc1Br 270004a_100020643023_100000211189 [0,1,0,1,0,0|1,0,1]=4 1928 B12R1.267 CCCNCc1ccccc1Br 34a_100000689332_100000210303 [0,1,0,1,0,0|1,0,1]=4 1929 B12R1.267 CCCNCc1ccccc1C 207a_100020643023_100000211143 [0,1,0,1,0,0|1,0,1]=4 1930 B12R1.267 CCCNCc1ccccc1C 270004a_100020643023_100000211143 [0,1,0,1,0,0|1,0,1]=4 1931 B12R1.267 CCCNCc1ccccc1C 34a_100000174972_100000210303 [0,1,0,1,0,0|1,0,1]=4 1932 B12R1.267 CCCNCc1ccccc1Cl 207a_100020643023_100000210073 [0,1,0,1,0,0|1,0,1]=4 1933 B12R1.267 CCCNCc1ccccc1Cl 2230a_100000174879_100000210303 [0,1,0,1,0,0|1,0,1]=4 1934 B12R1.267 CCCNCc1ccccc1Cl 270004a_100020643023_100000210073 [0,1,0,1,0,0|1,0,1]=4 1935 B12R1.267 CCCNCc1ccccc1Cl 34a_100000174879_100000210303 [0,1,0,1,0,0|1,0,1]=4 1936 B12R1.267 CCCNCc1ccccc1F 207a_100020643023_100000210811 [0,1,0,1,0,0|1,0,1]=4 1937 B12R1.267 CCCNCc1ccccc1F 270004a_100020643023_100000210811 [0,1,0,1,0,0|1,0,1]=4 1938 B12R1.267 CCCNCc1ccccc1F 34a_100000174869_100000210303 [0,1,0,1,0,0|1,0,1]=4 1939 B12R1.267 CCCNCc1ccccc1I 207a_100020643023_100000010305 [0,1,0,1,0,0|1,0,1]=4 1940 B12R1.267 CCCNCc1ccccc1I 270004a_100020643023_100000010305 [0,1,0,1,0,0|1,0,1]=4 1941 B12R1.267 CCCNCc1ccccc1O 271570a_203496583355_100000196483 [0,1,0,1,0,0|0,0,2]=4 1942 B12R1.267 CCCNCc1ccccc1O 34a_100000185550_100000210303 [0,1,0,1,0,0|0,0,2]=4 1943 B12R1.267 CCCNCc1cccnc1Br 2230a_100009818023_100000210303 [0,1,0,1,0,0|2,0,0]=4 1944 B12R1.267 CCCNCc1cccnc1Br 34a_100009818023_100000210303 [0,1,0,1,0,0|2,0,0]=4 1945 B12R1.267 CCCNCc1cccnc1C 207a_100020643023_100000751968 [0,1,0,1,0,0|2,0,0]=4 1946 B12R1.267 CCCNCc1cccnc1C 270004a_100020643023_100000751968 [0,1,0,1,0,0|2,0,0]=4 1947 B12R1.267 CCCNCc1cccnc1Cl 2230a_100015189234_100000210303 [0,1,0,1,0,0|2,0,0]=4 1948 B12R1.267 CCCNCc1cccnc1Cl 34a_100015189234_100000210303 [0,1,0,1,0,0|2,0,0]=4 1949 B12R1.267 CCCNCc1cccnc1F 34a_100000724633_100000210303 [0,1,0,1,0,0|2,0,0]=4 1950 B12R1.267 CCCNCc1cccnc1O 207a_100020643023_100011998315 [0,1,0,1,0,0|1,0,1]=4 1951 B12R1.267 CCCNCc1cccnc1O 270004a_100020643023_100011998315 [0,1,0,1,0,0|1,0,1]=4 1952 B12R1.267 CCCNCc1ccncc1Br 270004a_100020643023_100000755692 [0,1,0,1,0,0|2,0,0]=4 1953 B12R1.267 CCCNCc1ccncc1Cl 207a_100020643023_100011934409 [0,1,0,1,0,0|2,0,0]=4 1954 B12R1.267 CCCNCc1ccncc1Cl 270004a_100020643023_100011934409 [0,1,0,1,0,0|2,0,0]=4 1955 B12R1.267 CCCNCc1ccncc1F 34a_100011935246_100000210303 [0,1,0,1,0,0|2,0,0]=4 1956 B12R1.267 CCCNCc1cnccc1Br 270004a_100020643023_100009816821 [0,1,0,1,0,0|2,0,0]=4 1957 B12R1.267 CCCNCc1cnccc1C 207a_100020643023_100000685662 [0,1,0,1,0,0|2,0,0]=4 1958 B12R1.267 CCCNCc1cnccc1C 270004a_100020643023_100000685662 [0,1,0,1,0,0|2,0,0]=4 1959 B12R1.267 CCCNCc1cnccc1Cl 270004a_100020643023_100000050567 [0,1,0,1,0,0|2,0,0]=4 1960 B12R1.267 CCCNCc1ncccc1Br 207a_100020643023_100011934733 [0,1,0,1,0,0|2,0,0]=4 1961 B12R1.267 CCCNCc1ncccc1Br 270004a_100020643023_100011934733 [0,1,0,1,0,0|2,0,0]=4 1962 B12R1.267 CCCNCc1ncccc1C 207a_100020643023_100000698913 [0,1,0,1,0,0|2,0,0]=4 1963 B12R1.267 CCCNCc1ncccc1C 270004a_100020643023_100000698913 [0,1,0,1,0,0|2,0,0]=4 1964 B12R1.267 CCCNCc1ncccc1C 34a_100011223789_100000210303 [0,1,0,1,0,0|2,0,0]=4 1965 B12R1.267 CCCNCc1ncccc1Cl 207a_100020643023_100012001307 [0,1,0,1,0,0|2,0,0]=4 1966 B12R1.267 CCCNCc1ncccc1Cl 2230a_100015189233_100000210303 [0,1,0,1,0,0|2,0,0]=4 1967 B12R1.267 CCCNCc1ncccc1Cl 270004a_100020643023_100012001307 [0,1,0,1,0,0|2,0,0]=4 1968 B12R1.267 CCCNCc1ncccc1F 207a_100020643023_100011934734 [0,1,0,1,0,0|2,0,0]=4 1969 B12R1.267 CCCNCc1ncccc1F 270004a_100020643023_100011934734 [0,1,0,1,0,0|2,0,0]=4 1970 B12R1.267 CCCNCc1ncccc1F 34a_100000690088_100000210303 [0,1,0,1,0,0|2,0,0]=4 1971 B12R1.267 CCCOCc1ccccc1Br 34a_100000210258_100000184730 [0,1,0,1,0,0|1,0,1]=4 1972 B12R1.267 CCCOCc1ccccc1Br 34a_100000756307_100000210303 [0,1,0,1,0,0|1,0,1]=4 1973 B12R1.267 CCCOCc1ccccc1Br 7a_100000756307_100000210303 [0,1,0,1,0,0|1,0,1]=4 1974 B12R1.267 CCCOCc1ccccc1C 34a_100000210258_100000211839 [0,1,0,1,0,0|1,0,1]=4 1975 B12R1.267 CCCOCc1ccccc1C 34a_100000698903_100000210303 [0,1,0,1,0,0|1,0,1]=4 1976 B12R1.267 CCCOCc1ccccc1C 7a_100000698903_100000210303 [0,1,0,1,0,0|1,0,1]=4 1977 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210258_100000187162 [0,1,0,1,0,0|1,0,1]=4 1978 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210847_100000210303 [0,1,0,1,0,0|1,0,1]=4 1979 B12R1.267 CCCOCc1ccccc1Cl 7a_100000210847_100000210303 [0,1,0,1,0,0|1,0,1]=4 1980 B12R1.267 CCCOCc1ccccc1F 34a_100000210258_100000211605 [0,1,0,1,0,0|1,0,1]=4 1981 B12R1.267 CCCOCc1ccccc1F 34a_100000211962_100000210303 [0,1,0,1,0,0|1,0,1]=4 1982 B12R1.267 CCCOCc1ccccc1F 7a_100000211962_100000210303 [0,1,0,1,0,0|1,0,1]=4 1983 B12R1.267 CCCOCc1ccccc1I 34a_100000187465_100000210303 [0,1,0,1,0,0|1,0,1]=4 1984 B12R1.267 CCCOCc1ccccc1I 34a_100000210258_100011215278 [0,1,0,1,0,0|1,0,1]=4 1985 B12R1.267 CCCOCc1ccccc1I 7a_100000187465_100000210303 [0,1,0,1,0,0|1,0,1]=4 1986 B12R1.267 CCCOCc1ccccc1N 34a_100000212039_100000210303 [0,1,0,1,0,0|1,0,1]=4 1987 B12R1.267 CCCOCc1cccnc1Br 34a_100000210258_100010140945 [0,1,0,1,0,0|2,0,0]=4 1988 B12R1.267 CCCOCc1cccnc1Br 34a_100000719692_100000210303 [0,1,0,1,0,0|2,0,0]=4 1989 B12R1.267 CCCOCc1cccnc1Br 7a_100000719692_100000210303 [0,1,0,1,0,0|2,0,0]=4 1990 B12R1.267 CCCOCc1cccnc1C 34a_100000210258_100000732876 [0,1,0,1,0,0|2,0,0]=4 1991 B12R1.267 CCCOCc1cccnc1C 34a_100000729262_100000210303 [0,1,0,1,0,0|2,0,0]=4 1992 B12R1.267 CCCOCc1cccnc1C 7a_100000729262_100000210303 [0,1,0,1,0,0|2,0,0]=4 1993 B12R1.267 CCCOCc1cccnc1Cl 34a_100000210258_100000045678 [0,1,0,1,0,0|2,0,0]=4 1994 B12R1.267 CCCOCc1cccnc1Cl 34a_100000748726_100000210303 [0,1,0,1,0,0|2,0,0]=4 1995 B12R1.267 CCCOCc1cccnc1Cl 7a_100000748726_100000210303 [0,1,0,1,0,0|2,0,0]=4 1996 B12R1.267 CCCOCc1cccnc1F 34a_100000079888_100000210303 [0,1,0,1,0,0|2,0,0]=4 1997 B12R1.267 CCCOCc1cccnc1F 34a_100000210258_100000099810 [0,1,0,1,0,0|2,0,0]=4 1998 B12R1.267 CCCOCc1cccnc1F 7a_100000079888_100000210303 [0,1,0,1,0,0|2,0,0]=4 1999 B12R1.267 CCCOCc1ccncc1C 34a_100000210258_100020672809 [0,1,0,1,0,0|2,0,0]=4 2000 B12R1.267 CCCOCc1ccncc1C 34a_100011997032_100000210303 [0,1,0,1,0,0|2,0,0]=4 2001 B12R1.267 CCCOCc1ccncc1F 34a_100012172863_100000210303 [0,1,0,1,0,0|2,0,0]=4 2002 B12R1.267 CCCOCc1cnccc1C 34a_100000210258_100000690890 [0,1,0,1,0,0|2,0,0]=4 2003 B12R1.267 CCCOCc1cnccc1C 34a_100011996381_100000210303 [0,1,0,1,0,0|2,0,0]=4 2004 B12R1.267 CCCOCc1cnccc1Cl 34a_100000117392_100000210303 [0,1,0,1,0,0|2,0,0]=4 2005 B12R1.267 CCCOCc1ncccc1Br 34a_100000210258_100025702911 [0,1,0,1,0,0|2,0,0]=4 2006 B12R1.267 CCCOCc1ncccc1Br 34a_100011996772_100000210303 [0,1,0,1,0,0|2,0,0]=4 2007 B12R1.267 CCCOCc1ncccc1C 34a_100000210258_100000696600 [0,1,0,1,0,0|2,0,0]=4 2008 B12R1.267 CCCOCc1ncccc1C 34a_100000698912_100000210303 [0,1,0,1,0,0|2,0,0]=4 2009 B12R1.267 CCCOCc1ncccc1Cl 34a_100012002383_100000210303 [0,1,0,1,0,0|2,0,0]=4 2010 B12R1.267 CCCOCc1ncccc1F 34a_100000210258_100000104219 [0,1,0,1,0,0|2,0,0]=4 2011 B12R1.267 CCCOCc1ncccc1F 34a_100011934865_100000210303 [0,1,0,1,0,0|2,0,0]=4 2012 B12R1.267 CCCOCc1ncccc1N 34a_114873767017_100000210303 [0,1,0,1,0,0|2,0,0]=4 2013 B12R1.267 CCCOCc1ncccc1O 34a_100000210258_200020655725 [0,1,0,1,0,0|1,0,1]=4 2014 B12R1.267 CCCSCc1ccccc1Br 62a_100000184730_100000210303 [0,1,0,1,0,0|1,0,1]=4 2015 B12R1.267 CCCSCc1ccccc1Br 62a_100000210303_100000184730 [0,1,0,1,0,0|1,0,1]=4 2016 B12R1.267 CCCSCc1ccccc1C 62a_100000210303_100000211839 [0,1,0,1,0,0|1,0,1]=4 2017 B12R1.267 CCCSCc1ccccc1C 62a_100000211839_100000210303 [0,1,0,1,0,0|1,0,1]=4 2018 B12R1.267 CCCSCc1ccccc1Cl 62a_100000187162_100000210303 [0,1,0,1,0,0|1,0,1]=4 2019 B12R1.267 CCCSCc1ccccc1Cl 62a_100000210303_100000187162 [0,1,0,1,0,0|1,0,1]=4 2020 B12R1.267 CCCSCc1ccccc1F 62a_100000210303_100000211605 [0,1,0,1,0,0|1,0,1]=4 2021 B12R1.267 CCCSCc1ccccc1F 62a_100000211605_100000210303 [0,1,0,1,0,0|1,0,1]=4 2022 B12R1.267 CCCSCc1ccccc1I 62a_100000210303_100011216222 [0,1,0,1,0,0|1,0,1]=4 2023 B12R1.267 CCCSCc1ccccc1I 62a_100011216222_100000210303 [0,1,0,1,0,0|1,0,1]=4 2024 B12R1.267 CCCSCc1ccccc1O 271570a_203496583355_200000173363 [0,1,0,1,0,0|0,0,2]=4 2025 B12R1.267 CCCSCc1cccnc1Br 62a_100000210303_100010140945 [0,1,0,1,0,0|2,0,0]=4 2026 B12R1.267 CCCSCc1cccnc1Br 62a_100010140945_100000210303 [0,1,0,1,0,0|2,0,0]=4 2027 B12R1.267 CCCSCc1cccnc1C 62a_100000210303_100000732876 [0,1,0,1,0,0|2,0,0]=4 2028 B12R1.267 CCCSCc1cccnc1C 62a_100000732876_100000210303 [0,1,0,1,0,0|2,0,0]=4 2029 B12R1.267 CCCSCc1cccnc1Cl 62a_100000045678_100000210303 [0,1,0,1,0,0|2,0,0]=4 2030 B12R1.267 CCCSCc1cccnc1Cl 62a_100000210303_100000045678 [0,1,0,1,0,0|2,0,0]=4 2031 B12R1.267 CCCSCc1cccnc1F 62a_100000099810_100000210303 [0,1,0,1,0,0|2,0,0]=4 2032 B12R1.267 CCCSCc1cccnc1F 62a_100000210303_100000099810 [0,1,0,1,0,0|2,0,0]=4 2033 B12R1.267 CCCSCc1ccncc1C 62a_100000210303_100020672808 [0,1,0,1,0,0|2,0,0]=4 2034 B12R1.267 CCCSCc1ccncc1C 62a_100020672808_100000210303 [0,1,0,1,0,0|2,0,0]=4 2035 B12R1.267 CCCSCc1ccncc1Cl 62a_100000210303_100000763264 [0,1,0,1,0,0|2,0,0]=4 2036 B12R1.267 CCCSCc1ccncc1Cl 62a_100000763264_100000210303 [0,1,0,1,0,0|2,0,0]=4 2037 B12R1.267 CCCSCc1cnccc1C 62a_100000210303_100000690890 [0,1,0,1,0,0|2,0,0]=4 2038 B12R1.267 CCCSCc1cnccc1C 62a_100000690890_100000210303 [0,1,0,1,0,0|2,0,0]=4 2039 B12R1.267 CCCSCc1ncccc1Br 62a_100000210303_100025702911 [0,1,0,1,0,0|2,0,0]=4 2040 B12R1.267 CCCSCc1ncccc1Br 62a_100025702911_100000210303 [0,1,0,1,0,0|2,0,0]=4 2041 B12R1.267 CCCSCc1ncccc1C 62a_100000210303_100000696600 [0,1,0,1,0,0|2,0,0]=4 2042 B12R1.267 CCCSCc1ncccc1C 62a_100000696600_100000210303 [0,1,0,1,0,0|2,0,0]=4 2043 B12R1.267 CCCSCc1ncccc1Cl 62a_100000099807_100000210303 [0,1,0,1,0,0|2,0,0]=4 2044 B12R1.267 CCCSCc1ncccc1Cl 62a_100000210303_100000099807 [0,1,0,1,0,0|2,0,0]=4 2045 B12R1.267 CCCSCc1ncccc1F 62a_100000104219_100000210303 [0,1,0,1,0,0|2,0,0]=4 2046 B12R1.267 CCCSCc1ncccc1F 62a_100000210303_100000104219 [0,1,0,1,0,0|2,0,0]=4 2047 B12R1.267 CCCSCc1ncccc1O 62a_100000210303_200020655725 [0,1,0,1,0,0|1,0,1]=4 2048 B12R1.267 CCCSCc1ncccc1O 62a_200020655725_100000210303 [0,1,0,1,0,0|1,0,1]=4 2049 B12R1.267 CCNCCc1ccccc1Br 2230a_100000747383_100000210202 [0,1,0,1,0,0|1,0,1]=4 2050 B12R1.267 CCNCCc1ccccc1Br 2230a_100015525214_100012161201 [0,1,0,1,0,0|1,0,1]=4 2051 B12R1.267 CCNCCc1ccccc1Br 34a_100000747383_100000210202 [0,1,0,1,0,0|1,0,1]=4 2052 B12R1.267 CCNCCc1ccccc1C 2230a_100000685071_100000210202 [0,1,0,1,0,0|1,0,1]=4 2053 B12R1.267 CCNCCc1ccccc1C 2230a_100015525214_100011713688 [0,1,0,1,0,0|1,0,1]=4 2054 B12R1.267 CCNCCc1ccccc1C 34a_100000685071_100000210202 [0,1,0,1,0,0|1,0,1]=4 2055 B12R1.267 CCNCCc1ccccc1Cl 2230a_100011207228_100000210202 [0,1,0,1,0,0|1,0,1]=4 2056 B12R1.267 CCNCCc1ccccc1Cl 2230a_100015525214_100011713703 [0,1,0,1,0,0|1,0,1]=4 2057 B12R1.267 CCNCCc1ccccc1Cl 270004a_100015525214_200011713468 [0,1,0,1,0,0|1,0,1]=4 2058 B12R1.267 CCNCCc1ccccc1Cl 34a_100011207228_100000210202 [0,1,0,1,0,0|1,0,1]=4 2059 B12R1.267 CCNCCc1ccccc1F 2230a_100000185272_100000210202 [0,1,0,1,0,0|1,0,1]=4 2060 B12R1.267 CCNCCc1ccccc1F 2230a_100015525214_100011713696 [0,1,0,1,0,0|1,0,1]=4 2061 B12R1.267 CCNCCc1ccccc1F 34a_100000185272_100000210202 [0,1,0,1,0,0|1,0,1]=4 2062 B12R1.267 CCNCCc1ccccc1O 34a_100011207237_100000210202 [0,1,0,1,0,0|0,0,2]=4 2063 B12R1.267 CCNCCn1ccccc1=O 2230a_100000687133_100000210202 [0,1,0,1,0,0|1,0,0]=3 2064 B12R1.267 CCOCCc1ccccc1Br 34a_100000731337_100000210202 [0,1,0,1,0,0|1,0,1]=4 2065 B12R1.267 CCOCCc1ccccc1Br 34a_100121572206_100012161201 [0,1,0,1,0,0|1,0,1]=4 2066 B12R1.267 CCOCCc1ccccc1Br 7a_100000731337_100000210202 [0,1,0,1,0,0|1,0,1]=4 2067 B12R1.267 CCOCCc1ccccc1C 34a_100011220023_100000210202 [0,1,0,1,0,0|1,0,1]=4 2068 B12R1.267 CCOCCc1ccccc1C 34a_100121572206_100011713688 [0,1,0,1,0,0|1,0,1]=4 2069 B12R1.267 CCOCCc1ccccc1C 7a_100011220023_100000210202 [0,1,0,1,0,0|1,0,1]=4 2070 B12R1.267 CCOCCc1ccccc1Cl 34a_100011215284_100000210202 [0,1,0,1,0,0|1,0,1]=4 2071 B12R1.267 CCOCCc1ccccc1Cl 34a_100121572206_100011713703 [0,1,0,1,0,0|1,0,1]=4 2072 B12R1.267 CCOCCc1ccccc1Cl 7a_100011215284_100000210202 [0,1,0,1,0,0|1,0,1]=4 2073 B12R1.267 CCOCCc1ccccc1F 34a_100000753711_100000210202 [0,1,0,1,0,0|1,0,1]=4 2074 B12R1.267 CCOCCc1ccccc1F 34a_100121572206_100000720011 [0,1,0,1,0,0|1,0,1]=4 2075 B12R1.267 CCOCCc1ccccc1F 7a_100000753711_100000210202 [0,1,0,1,0,0|1,0,1]=4 2076 B12R1.267 CCOCCc1ccccc1I 34a_100010255290_100000210202 [0,1,0,1,0,0|1,0,1]=4 2077 B12R1.267 CCOCCc1ccccc1I 7a_100010255290_100000210202 [0,1,0,1,0,0|1,0,1]=4 2078 B12R1.267 CCOCCc1ccccc1N 34a_100011215289_100000210202 [0,1,0,1,0,0|1,0,1]=4 2079 B12R1.267 CCOCCc1ccccc1O 34a_100121572206_100000722297 [0,1,0,1,0,0|0,0,2]=4 2080 B12R1.267 CCOCCc1ncccc1C 34a_100011997706_100000210202 [0,1,0,1,0,0|2,0,0]=4 2081 B12R1.267 CCOCCc1ncccc1C 7a_100011997706_100000210202 [0,1,0,1,0,0|2,0,0]=4 2082 B12R1.267 CCOCSc1c[nH]ccc1=O 62a_100000739092_100009998708 [0,1,0,1,0,0|2,0,0]=4 2083 B12R1.267 CCOCSc1c[nH]ccc1=O 62a_100009998708_100000739092 [0,1,0,1,0,0|2,0,0]=4 2084 B12R1.267 CCSCCc1ccccc1Br 62a_100000210202_100012161201 [0,1,0,1,0,0|1,0,1]=4 2085 B12R1.267 CCSCCc1ccccc1Br 62a_100012161201_100000210202 [0,1,0,1,0,0|1,0,1]=4 2086 B12R1.267 CCSCCc1ccccc1C 62a_100000210202_100011713688 [0,1,0,1,0,0|1,0,1]=4 2087 B12R1.267 CCSCCc1ccccc1C 62a_100011713688_100000210202 [0,1,0,1,0,0|1,0,1]=4 2088 B12R1.267 CCSCCc1ccccc1Cl 62a_100000210202_100011713703 [0,1,0,1,0,0|1,0,1]=4 2089 B12R1.267 CCSCCc1ccccc1Cl 62a_100011713703_100000210202 [0,1,0,1,0,0|1,0,1]=4 2090 B12R1.267 CCSCCc1ccccc1F 62a_100000210202_100011713696 [0,1,0,1,0,0|1,0,1]=4 2091 B12R1.267 CCSCCc1ccccc1F 62a_100011713696_100000210202 [0,1,0,1,0,0|1,0,1]=4 2092 B12R1.267 CCSCCc1ccccc1O 62a_100000210202_100000722297 [0,1,0,1,0,0|0,0,2]=4 2093 B12R1.267 CCSCCc1ccccc1O 62a_100000722297_100000210202 [0,1,0,1,0,0|0,0,2]=4 2094 B12R1.267 CNCCCc1ccccc1Br 2230a_106832991635_200011713681 [0,1,0,1,0,0|1,0,1]=4 2095 B12R1.267 CNCCCc1ccccc1Br 34a_100102657272_200011713681 [0,1,0,1,0,0|1,0,1]=4 2096 B12R1.267 CNCCCc1ccccc1Br 7a_106832991635_200011713681 [0,1,0,1,0,0|1,0,1]=4 2097 B12R1.267 CNCCCc1ccccc1F 2230a_100000724733_200000210301 [0,1,0,1,0,0|1,0,1]=4 2098 B12R1.267 CNCCCc1ccccc1F 34a_100000724733_200000210301 [0,1,0,1,0,0|1,0,1]=4 2099 B12R1.267 COCCCc1ccccc1Br 34a_100000699526_200000210301 [0,1,0,1,0,0|1,0,1]=4 2100 B12R1.267 COCCCc1ccccc1Br 34a_100138415774_200011713681 [0,1,0,1,0,0|1,0,1]=4 2101 B12R1.267 COCCCc1ccccc1Br 7a_100000699526_200000210301 [0,1,0,1,0,0|1,0,1]=4 2102 B12R1.267 COCCCc1ccccc1Cl 34a_100011709251_200000210301 [0,1,0,1,0,0|1,0,1]=4 2103 B12R1.267 COCCCc1ccccc1Cl 7a_100011709251_200000210301 [0,1,0,1,0,0|1,0,1]=4 2104 B12R1.267 COCCCc1ccccc1F 34a_100011709249_200000210301 [0,1,0,1,0,0|1,0,1]=4 2105 B12R1.267 COCCCc1ccccc1F 7a_100011709249_200000210301 [0,1,0,1,0,0|1,0,1]=4 2106 B12R1.267 COCCOc1cccoc1=O 34a_100000077404_100011201679 [0,1,0,1,0,0|2,0,0]=4 2107 B12R1.267 COCCOc1cccoc1=O 7a_100000077404_100000233755 [0,1,0,1,0,0|2,0,0]=4 2108 B12R1.267 COCCOc1coccc1=O 34a_100000060831_100011201679 [0,1,0,1,0,0|2,0,0]=4 2109 B12R1.267 COCCSc1c[nH]ccc1=O 62a_100000233755_100009998708 [0,1,0,1,0,0|2,0,0]=4 2110 B12R1.267 COCCSc1c[nH]ccc1=O 62a_100009998708_100000233755 [0,1,0,1,0,0|2,0,0]=4 2111 B12R1.267 CSCCCc1ccccc1Br 62a_200000210301_200011713681 [0,1,0,1,0,0|1,0,1]=4 2112 B12R1.267 CSCCCc1ccccc1Br 62a_200011713681_200000210301 [0,1,0,1,0,0|1,0,1]=4 2113 B12R1.267 CSCCOc1cccoc1=O 34a_100000077404_100000212216 [0,1,0,1,0,0|2,0,0]=4 2114 B12R1.267 CSCCOc1cccoc1=O 7a_100000077404_100000212216 [0,1,0,1,0,0|2,0,0]=4 2115 B12R1.267 CSCCOc1coccc1=O 34a_100000060831_100000212216 [0,1,0,1,0,0|2,0,0]=4 2116 B12R1.267 CSCCSc1c[nH]ccc1=O 62a_100000212216_100009998708 [0,1,0,1,0,0|2,0,0]=4 2117 B12R1.267 CSCCSc1c[nH]ccc1=O 62a_100009998708_100000751147 [0,1,0,1,0,0|2,0,0]=4 2118 B12R1.267 O=c1cc[nH]cc1SCCCF 62a_100009998708_100011934791 [0,1,0,1,0,0|2,0,0]=4 2119 B12R1.267 O=c1cc[nH]cc1SCCCF 62a_100011934791_100009998708 [0,1,0,1,0,0|2,0,0]=4 2120 B12R1.267 O=c1cc[nH]cc1SCCCO 62a_100009998708_100011215043 [0,1,0,1,0,0|2,0,0]=4 2121 B12R1.267 O=c1cc[nH]cc1SCCCO 62a_100011215043_100009998708 [0,1,0,1,0,0|2,0,0]=4 2122 B12R1.267 O=c1ccocc1OCCCF 34a_100000060831_100011934791 [0,1,0,1,0,0|2,0,0]=4 2123 B12R1.267 O=c1ccocc1OCCCO 34a_100000060831_100000230001 [0,1,0,1,0,0|2,0,0]=4 2124 B12R1.267 O=c1occcc1OCCCF 34a_100000077404_100011934791 [0,1,0,1,0,0|2,0,0]=4 2125 B12R1.267 O=c1occcc1OCCCF 7a_100000077404_100011934791 [0,1,0,1,0,0|2,0,0]=4 2126 B12R1.267 O=c1occcc1OCCCO 34a_100000077404_100000230001 [0,1,0,1,0,0|2,0,0]=4 2127 B12R1.267 O=c1occcc1OCCCO 7a_100000077404_100011215043 [0,1,0,1,0,0|2,0,0]=4 2128 B12R1.267 OCCCCc1ccccc1O 271570a_203496583355_100012092669 [0,1,0,1,0,0|0,0,2]=4 2129 B12R1.267 [13CH3]NCCCc1ccccc1F 2230a_100000724733_200025704644 [0,1,0,1,0,0|1,0,1]=4 2130 B12R1.267 [13CH3]NCCCc1ccccc1F 34a_100000724733_200025704644 [0,1,0,1,0,0|1,0,1]=4 2131 B12R1.267 [13CH3]OCCCc1ccccc1Br 34a_100000699526_200025704644 [0,1,0,1,0,0|1,0,1]=4 2132 B12R1.267 [13CH3]OCCCc1ccccc1Br 7a_100000699526_200025704644 [0,1,0,1,0,0|1,0,1]=4 2133 B12R1.267 [13CH3]OCCCc1ccccc1Cl 34a_100011709251_200025704644 [0,1,0,1,0,0|1,0,1]=4 2134 B12R1.267 [13CH3]OCCCc1ccccc1Cl 7a_100011709251_200025704644 [0,1,0,1,0,0|1,0,1]=4 2135 B12R1.267 [13CH3]OCCCc1ccccc1F 34a_100011709249_200025704644 [0,1,0,1,0,0|1,0,1]=4 2136 B12R1.267 [13CH3]OCCCc1ccccc1F 7a_100011709249_200025704644 [0,1,0,1,0,0|1,0,1]=4 2137 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200011713681_200025704644 [0,1,0,1,0,0|1,0,1]=4 2138 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200025704644_200011713681 [0,1,0,1,0,0|1,0,1]=4 2139 B12R1.272 C/C=C/C=C/COCC1CCC1 34a_100016283227_100000763275 [0,1,0,1,0,0|1,0,1]=4 2140 B12R1.272 CC=CC=CC=NNC1CCC1 4a_100000736358_100000691131 [0,1,0,1,0,0|2,0,0]=4 2141 B12R1.320 CC=Cc1ccnn1CCCC 271570a_100016259895_200010264484 [0,1,0,1,0,0|2,0,0]=4 2142 B12R1.320 CC=Cc1sccc1CCCC 271570a_100016259895_100010071534 [0,1,0,1,0,0|1,0,1]=4 2143 B12R1.320 CCCCC1C=CCN1CC=O 2230a_100015184376_200015260668 [0,1,0,1,0,0|0,0,2]=4 2144 B12R1.320 CCCCC1C=CCN1CC=O 269982a_100015184376_200015260668 [0,1,0,1,0,0|0,0,2]=4 2145 B12R1.320 CCCCC1C=CCN1CC=O 34a_100015184376_200009817547 [0,1,0,1,0,0|0,0,2]=4 2146 B12R1.329 O=CCOC1C=CCCCCC1 34a_100000688657_200009817547 [0,1,0,1,0,0|0,0,2]=4 2147 B12R1.372 CCCCC=Cc1ccsc1C 271570a_100016275911_100000684487 [0,1,0,1,0,0|1,0,1]=4 2148 B12R1.372 CCCCC=Cc1cscc1Br 271570a_100016275911_100010143727 [0,1,0,1,0,0|1,0,1]=4 2149 B12R1.372 CCCCC=Cc1cscc1C 271570a_100016275911_100000759966 [0,1,0,1,0,0|1,0,1]=4 2150 B12R1.372 CCCCC=Cc1sccc1Br 271570a_100016275911_100012361411 [0,1,0,1,0,0|0,1,1]=4 2151 B12R1.372 CCCCC=Cc1sccc1C 271570a_100016275911_100000742657 [0,1,0,1,0,0|0,1,1]=4 2152 B12R1.372 CCCCCCc1ccsc1O 271570a_203496583355_100009817158 [0,1,0,1,0,0|0,0,2]=4 2153 B12R1.372 CCCCCSc1ccsc1C 62a_100000210326_100000684487 [0,1,0,1,0,0|2,0,0]=4 2154 B12R1.372 CCCCCSc1ccsc1C 62a_100000684487_100000210326 [0,1,0,1,0,0|2,0,0]=4 2155 B12R1.372 CCCCCSc1cscc1Br 62a_100000210326_100010143727 [0,1,0,1,0,0|2,0,0]=4 2156 B12R1.372 CCCCCSc1cscc1Br 62a_100010143727_100000210326 [0,1,0,1,0,0|2,0,0]=4 2157 B12R1.372 CCCCCSc1cscc1C 62a_100000210326_100000759966 [0,1,0,1,0,0|2,0,0]=4 2158 B12R1.372 CCCCCSc1cscc1C 62a_100000759966_100000210326 [0,1,0,1,0,0|2,0,0]=4 2159 B12R1.372 CCCCCSc1sccc1Br 62a_100000210326_100012361411 [0,1,0,1,0,0|1,1,0]=4 2160 B12R1.372 CCCCCSc1sccc1Br 62a_100012361411_100000210326 [0,1,0,1,0,0|1,1,0]=4 2161 B12R1.372 CCCCCSc1sccc1C 62a_100000210326_100010247149 [0,1,0,1,0,0|1,1,0]=4 2162 B12R1.372 CCCCCSc1sccc1C 62a_100010247149_100000210326 [0,1,0,1,0,0|1,1,0]=4 2163 B12R1.372 CCCCNCc1cccn1C 270004a_100000102301_100000211633 [0,1,0,1,0,0|2,0,0]=4 2164 B12R1.372 CCCCNCc1cccn1C 34a_100011219357_100000210210 [0,1,0,1,0,0|2,0,0]=4 2165 B12R1.372 CCCCNCc1ccsc1Br 207a_100000102301_100009816921 [0,1,0,1,0,0|2,0,0]=4 2166 B12R1.372 CCCCNCc1ccsc1Br 2230a_100000102301_100009814289 [0,1,0,1,0,0|2,0,0]=4 2167 B12R1.372 CCCCNCc1ccsc1Br 2230a_100000727803_100000210211 [0,1,0,1,0,0|2,0,0]=4 2168 B12R1.372 CCCCNCc1ccsc1Br 270004a_100000102301_100009816921 [0,1,0,1,0,0|2,0,0]=4 2169 B12R1.372 CCCCNCc1ccsc1Br 34a_100000727803_100000210210 [0,1,0,1,0,0|2,0,0]=4 2170 B12R1.372 CCCCNCc1ccsc1Br 7a_106832991798_100009814289 [0,1,0,1,0,0|2,0,0]=4 2171 B12R1.372 CCCCNCc1ccsc1Cl 207a_100000102301_100000089901 [0,1,0,1,0,0|2,0,0]=4 2172 B12R1.372 CCCCNCc1ccsc1Cl 2230a_100000102301_100010167017 [0,1,0,1,0,0|2,0,0]=4 2173 B12R1.372 CCCCNCc1ccsc1Cl 270004a_100000102301_100000089901 [0,1,0,1,0,0|2,0,0]=4 2174 B12R1.372 CCCCNCc1ccsc1Cl 7a_106832991798_100010167017 [0,1,0,1,0,0|2,0,0]=4 2175 B12R1.372 CCCCNCc1cscc1Br 207a_100000102301_100000685484 [0,1,0,1,0,0|2,0,0]=4 2176 B12R1.372 CCCCNCc1cscc1Br 270004a_100000102301_100000685484 [0,1,0,1,0,0|2,0,0]=4 2177 B12R1.372 CCCCNCc1occc1Br 270004a_100000102301_100000756499 [0,1,0,1,0,0|2,0,0]=4 2178 B12R1.372 CCCCNCc1occc1C 207a_100000102301_100000763527 [0,1,0,1,0,0|2,0,0]=4 2179 B12R1.372 CCCCNCc1occc1C 270004a_100000102301_100000763527 [0,1,0,1,0,0|2,0,0]=4 2180 B12R1.372 CCCCNCc1sccc1Br 207a_100000102301_100000766043 [0,1,0,1,0,0|2,0,0]=4 2181 B12R1.372 CCCCNCc1sccc1Br 270004a_100000102301_100000766043 [0,1,0,1,0,0|2,0,0]=4 2182 B12R1.372 CCCCNCc1sccc1C 207a_100000102301_100000210881 [0,1,0,1,0,0|2,0,0]=4 2183 B12R1.372 CCCCNCc1sccc1C 2230a_100000238519_100000210211 [0,1,0,1,0,0|2,0,0]=4 2184 B12R1.372 CCCCNCc1sccc1C 270004a_100000102301_100000210881 [0,1,0,1,0,0|2,0,0]=4 2185 B12R1.372 CCCCNCc1sccc1C 34a_100000238519_100000210210 [0,1,0,1,0,0|2,0,0]=4 2186 B12R1.372 CCCCNCc1sccc1Cl 207a_100000102301_100000722334 [0,1,0,1,0,0|2,0,0]=4 2187 B12R1.372 CCCCNCc1sccc1Cl 2230a_100011934584_100000210211 [0,1,0,1,0,0|2,0,0]=4 2188 B12R1.372 CCCCNCc1sccc1Cl 270004a_100000102301_100000722334 [0,1,0,1,0,0|2,0,0]=4 2189 B12R1.372 CCCCNCc1sccc1Cl 34a_100011934584_100000210210 [0,1,0,1,0,0|2,0,0]=4 2190 B12R1.372 CCCCOCC1=CCCC1=O 34a_100000087531_100000210210 [0,1,0,1,0,0|0,0,2]=4 2191 B12R1.372 CCCCOCc1ccoc1C 34a_100011219433_100000210210 [0,1,0,1,0,0|2,0,0]=4 2192 B12R1.372 CCCCOCc1ccoc1C 7a_100011219433_100000210211 [0,1,0,1,0,0|2,0,0]=4 2193 B12R1.372 CCCCOCc1ccsc1Br 34a_100000210227_100009814289 [0,1,0,1,0,0|2,0,0]=4 2194 B12R1.372 CCCCOCc1ccsc1Br 34a_100009816922_100000210210 [0,1,0,1,0,0|2,0,0]=4 2195 B12R1.372 CCCCOCc1ccsc1Br 7a_100000210227_100009814289 [0,1,0,1,0,0|2,0,0]=4 2196 B12R1.372 CCCCOCc1ccsc1Br 7a_100009816922_100000210211 [0,1,0,1,0,0|2,0,0]=4 2197 B12R1.372 CCCCOCc1ccsc1Cl 34a_100000210227_100010167017 [0,1,0,1,0,0|2,0,0]=4 2198 B12R1.372 CCCCOCc1ccsc1Cl 7a_100000210227_100010167017 [0,1,0,1,0,0|2,0,0]=4 2199 B12R1.372 CCCCOCc1cscc1Br 34a_100000724555_100000210210 [0,1,0,1,0,0|2,0,0]=4 2200 B12R1.372 CCCCOCc1occc1C 34a_100011273948_100000210210 [0,1,0,1,0,0|2,0,0]=4 2201 B12R1.372 CCCCOCc1occc1C 7a_100011273948_100000210211 [0,1,0,1,0,0|2,0,0]=4 2202 B12R1.372 CCCCOCc1sccc1Br 34a_100000702026_100000210210 [0,1,0,1,0,0|2,0,0]=4 2203 B12R1.372 CCCCOCc1sccc1C 34a_100000238368_100000210210 [0,1,0,1,0,0|2,0,0]=4 2204 B12R1.372 CCCCOCc1sccc1C 7a_100000238368_100000210211 [0,1,0,1,0,0|2,0,0]=4 2205 B12R1.372 CCCCOCc1sccc1Cl 34a_100000722387_100000210210 [0,1,0,1,0,0|2,0,0]=4 2206 B12R1.372 CCCCOCc1sccc1Cl 7a_100000722387_100000210211 [0,1,0,1,0,0|2,0,0]=4 2207 B12R1.372 CCCCSCc1ccsc1Br 62a_100000210211_100009814289 [0,1,0,1,0,0|2,0,0]=4 2208 B12R1.372 CCCCSCc1ccsc1Br 62a_100009814289_100000210210 [0,1,0,1,0,0|2,0,0]=4 2209 B12R1.372 CCCCSCc1ccsc1Cl 62a_100000210211_100010167017 [0,1,0,1,0,0|2,0,0]=4 2210 B12R1.372 CCCCSCc1ccsc1Cl 62a_100010167017_100000210210 [0,1,0,1,0,0|2,0,0]=4 2211 B12R1.372 CCCNCCc1cccn1C 2230a_100011251756_100000210303 [0,1,0,1,0,0|2,0,0]=4 2212 B12R1.372 CCCNCCc1cccn1C 34a_100011251756_100000210303 [0,1,0,1,0,0|2,0,0]=4 2213 B12R1.375 C/C=C/C=C/COCCC1CC1 34a_100016283227_100000694398 [0,1,0,1,0,0|1,0,1]=4 2214 B12R1.375 CC=CC=CC=NNCC1CC1 4a_100000736359_100000691131 [0,1,0,1,0,0|2,0,0]=4 2215 B12R1.28 CCCC=Cc1cccc(=O)[nH]1 271570a_100016258520_100000761760 [0,1,0,1,0,0|0,0,2]=4 2216 B12R1.28 CCCCNc1cc(ccn1)F 27a_100000102301_100000764206 [0,1,0,1,0,0|2,0,0]=4 2217 B12R1.28 CCCCNc1cc[nH]c(=O)c1 27a_100000102301_100000061649 [0,1,0,1,0,0|2,0,0]=4 2218 B12R1.28 CCCCNc1cc[nH]c(=O)n1 27a_100000102301_200000134032 [0,1,0,1,0,0|2,0,0]=4 2219 B12R1.28 CCCCNc1cccc(c1)Br 34a_100000210019_100000210210 [0,1,0,1,0,0|2,0,0]=4 2220 B12R1.28 CCCCNc1cccc(c1)C 2230a_100000188690_100000210211 [0,1,0,1,0,0|2,0,0]=4 2221 B12R1.28 CCCCNc1cccc(c1)C 34a_100000188690_100000210210 [0,1,0,1,0,0|2,0,0]=4 2222 B12R1.28 CCCCNc1cccc(c1)Cl 34a_100000185859_100000210210 [0,1,0,1,0,0|2,0,0]=4 2223 B12R1.28 CCCCNc1cccc(c1)F 34a_100000210047_100000210210 [0,1,0,1,0,0|2,0,0]=4 2224 B12R1.28 CCCCNc1cccc(c1)I 34a_100000211102_100000210210 [0,1,0,1,0,0|2,0,0]=4 2225 B12R1.28 CCCCNc1cccc(c1)O 34a_100000210217_100000210210 [0,1,0,1,0,0|1,0,1]=4 2226 B12R1.28 CCCCNc1cccc(n1)F 27a_100000102301_100009815982 [0,1,0,1,0,0|2,0,0]=4 2227 B12R1.28 CCCCOc1cc[nH]c(=O)c1 34a_100000032262_100000210210 [0,1,0,1,0,0|2,0,0]=4 2228 B12R1.28 CCCCOc1cccc(=O)[nH]1 34a_100000033347_100000210210 [0,1,0,1,0,0|1,0,0]=3 2229 B12R1.28 CCCCOc1cccc(c1)Br 34a_100000210342_100000210210 [0,1,0,1,0,0|2,0,0]=4 2230 B12R1.28 CCCCOc1cccc(c1)Br 7a_100000210342_100000210211 [0,1,0,1,0,0|2,0,0]=4 2231 B12R1.28 CCCCOc1cccc(c1)C 34a_100000210337_100000210210 [0,1,0,1,0,0|2,0,0]=4 2232 B12R1.28 CCCCOc1cccc(c1)C 7a_100000210337_100000210211 [0,1,0,1,0,0|2,0,0]=4 2233 B12R1.28 CCCCOc1cccc(c1)Cl 34a_100000210295_100000210210 [0,1,0,1,0,0|2,0,0]=4 2234 B12R1.28 CCCCOc1cccc(c1)Cl 7a_100000210295_100000210211 [0,1,0,1,0,0|2,0,0]=4 2235 B12R1.28 CCCCOc1cccc(c1)F 34a_100000210426_100000210210 [0,1,0,1,0,0|2,0,0]=4 2236 B12R1.28 CCCCOc1cccc(c1)F 7a_100000210426_100000210211 [0,1,0,1,0,0|2,0,0]=4 2237 B12R1.28 CCCCOc1cccc(c1)I 34a_100000211634_100000210210 [0,1,0,1,0,0|2,0,0]=4 2238 B12R1.28 CCCCOc1cccc(c1)I 7a_100000211634_100000210211 [0,1,0,1,0,0|2,0,0]=4 2239 B12R1.28 CCCCOc1cccc(c1)N 34a_100000210217_100000210210 [0,1,0,1,0,0|2,0,0]=4 2240 B12R1.28 CCCCOc1cccc(c1)O 271570a_203496583355_200011212284 [0,1,0,1,0,0|1,0,1]=4 2241 B12R1.28 CCCCOc1cccc(n1)F 34a_100011432558_100000210210 [0,1,0,1,0,0|2,0,0]=4 2242 B12R1.28 CCCCOc1cccc(n1)O 271570a_203496583355_200011960251 [0,1,0,1,0,0|1,0,1]=4 2243 B12R1.28 CCCCSc1cc(=O)cc[nH]1 62a_100009817434_100000210210 [0,1,0,1,0,0|2,0,0]=4 2244 B12R1.28 CCCCSc1cc(ccn1)C 62a_100000210211_100000750283 [0,1,0,1,0,0|2,0,0]=4 2245 B12R1.28 CCCCSc1cc(ccn1)C 62a_100000750283_100000210210 [0,1,0,1,0,0|2,0,0]=4 2246 B12R1.28 CCCCSc1cc(ccn1)Cl 62a_100000210211_100010167805 [0,1,0,1,0,0|2,0,0]=4 2247 B12R1.28 CCCCSc1cc(ccn1)Cl 62a_100010167805_100000210210 [0,1,0,1,0,0|2,0,0]=4 2248 B12R1.28 CCCCSc1cc(ccn1)F 62a_100000210211_100000764206 [0,1,0,1,0,0|2,0,0]=4 2249 B12R1.28 CCCCSc1cc(ccn1)F 62a_100000764206_100000210210 [0,1,0,1,0,0|2,0,0]=4 2250 B12R1.28 CCCCSc1cc(ccn1)N 62a_100000210211_100009814236 [0,1,0,1,0,0|2,0,0]=4 2251 B12R1.28 CCCCSc1cc(ccn1)N 62a_100009814236_100000210210 [0,1,0,1,0,0|2,0,0]=4 2252 B12R1.28 CCCCSc1cc(ccn1)O 62a_100000210211_100000762945 [0,1,0,1,0,0|2,0,0]=4 2253 B12R1.28 CCCCSc1cc[nH]c(=O)c1 62a_100000210211_100009816521 [0,1,0,1,0,0|2,0,0]=4 2254 B12R1.28 CCCCSc1cc[nH]c(=O)c1 62a_100009816521_100000210210 [0,1,0,1,0,0|2,0,0]=4 2255 B12R1.28 CCCCSc1cc[nH]c(=O)n1 62a_100000210211_200000134032 [0,1,0,1,0,0|2,0,0]=4 2256 B12R1.28 CCCCSc1cccc(=O)[nH]1 62a_100000210211_100000752884 [0,1,0,1,0,0|1,0,0]=3 2257 B12R1.28 CCCCSc1cccc(c1)Br 62a_100000210211_100000691529 [0,1,0,1,0,0|2,0,0]=4 2258 B12R1.28 CCCCSc1cccc(c1)Br 62a_100000691529_100000210210 [0,1,0,1,0,0|2,0,0]=4 2259 B12R1.28 CCCCSc1cccc(c1)C 62a_100000210211_100011215228 [0,1,0,1,0,0|2,0,0]=4 2260 B12R1.28 CCCCSc1cccc(c1)C 62a_100011215228_100000210210 [0,1,0,1,0,0|2,0,0]=4 2261 B12R1.28 CCCCSc1cccc(c1)Cl 62a_100000210211_100000699651 [0,1,0,1,0,0|2,0,0]=4 2262 B12R1.28 CCCCSc1cccc(c1)Cl 62a_100000699651_100000210210 [0,1,0,1,0,0|2,0,0]=4 2263 B12R1.28 CCCCSc1cccc(c1)F 62a_100000210211_100000685547 [0,1,0,1,0,0|2,0,0]=4 2264 B12R1.28 CCCCSc1cccc(c1)F 62a_100000685547_100000210210 [0,1,0,1,0,0|2,0,0]=4 2265 B12R1.28 CCCCSc1cccc(c1)N 62a_100000210019_100000210210 [0,1,0,1,0,0|2,0,0]=4 2266 B12R1.28 CCCCSc1cccc(c1)N 62a_100000210211_100000210019 [0,1,0,1,0,0|2,0,0]=4 2267 B12R1.28 CCCCSc1cccc(c1)O 271570a_203496583355_100010128134 [0,1,0,1,0,0|1,0,1]=4 2268 B12R1.28 CCCCSc1cccc(c1)O 62a_100000210211_100000211634 [0,1,0,1,0,0|1,0,1]=4 2269 B12R1.28 CCCCSc1cccc(c1)[S] 62a_100000210211_114929384022 [0,1,0,1,0,0|1,1,0]=4 2270 B12R1.28 CCCCSc1cccc(c1)[S] 62a_114929384022_100000210210 [0,1,0,1,0,0|1,1,0]=4 2271 B12R1.28 CCCCSc1cccc(n1)Br 62a_100000210211_100000684672 [0,1,0,1,0,0|2,0,0]=4 2272 B12R1.28 CCCCSc1cccc(n1)Br 62a_100000684672_100000210210 [0,1,0,1,0,0|2,0,0]=4 2273 B12R1.28 CCCCSc1cccc(n1)C 62a_100000210211_100000742759 [0,1,0,1,0,0|2,0,0]=4 2274 B12R1.28 CCCCSc1cccc(n1)C 62a_100000742759_100000210210 [0,1,0,1,0,0|2,0,0]=4 2275 B12R1.28 CCCCSc1cccc(n1)Cl 62a_100000051397_100000210210 [0,1,0,1,0,0|2,0,0]=4 2276 B12R1.28 CCCCSc1cccc(n1)Cl 62a_100000210211_100000051397 [0,1,0,1,0,0|2,0,0]=4 2277 B12R1.28 CCCCSc1cccc(n1)F 62a_100000210211_100009815982 [0,1,0,1,0,0|2,0,0]=4 2278 B12R1.28 CCCCSc1cccc(n1)F 62a_100009815982_100000210210 [0,1,0,1,0,0|2,0,0]=4 2279 B12R1.28 CCCCSc1cccc(n1)N 62a_100000210211_100000740741 [0,1,0,1,0,0|2,0,0]=4 2280 B12R1.28 CCCCSc1cccc(n1)N 62a_100000740741_100000210210 [0,1,0,1,0,0|2,0,0]=4 2281 B12R1.28 CCCNCc1cc(ccn1)Br 270004a_100020643023_100009818557 [0,1,0,1,0,0|2,0,0]=4 2282 B12R1.28 CCCNCc1cc(ccn1)C 207a_100020643023_100011361488 [0,1,0,1,0,0|2,0,0]=4 2283 B12R1.28 CCCNCc1cc(ccn1)C 270004a_100020643023_100011361488 [0,1,0,1,0,0|2,0,0]=4 2284 B12R1.28 CCCNCc1cc(ccn1)Cl 270004a_100020643023_100011998288 [0,1,0,1,0,0|2,0,0]=4 2285 B12R1.28 CCCNCc1cccc(=O)[nH]1 207a_100020643023_100011935257 [0,1,0,1,0,0|1,0,0]=3 2286 B12R1.28 CCCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210303 [0,1,0,1,0,0|1,0,0]=3 2287 B12R1.28 CCCNCc1cccc(c1)Br 207a_100020643023_100000210085 [0,1,0,1,0,0|2,0,0]=4 2288 B12R1.28 CCCNCc1cccc(c1)Br 2230a_100000174977_100000210303 [0,1,0,1,0,0|2,0,0]=4 2289 B12R1.28 CCCNCc1cccc(c1)Br 270004a_100020643023_100000210085 [0,1,0,1,0,0|2,0,0]=4 2290 B12R1.28 CCCNCc1cccc(c1)Br 34a_100000174977_100000210303 [0,1,0,1,0,0|2,0,0]=4 2291 B12R1.28 CCCNCc1cccc(c1)C 207a_100020643023_100000211157 [0,1,0,1,0,0|2,0,0]=4 2292 B12R1.28 CCCNCc1cccc(c1)C 2230a_100000185548_100000210303 [0,1,0,1,0,0|2,0,0]=4 2293 B12R1.28 CCCNCc1cccc(c1)C 270004a_100020643023_100000211157 [0,1,0,1,0,0|2,0,0]=4 2294 B12R1.28 CCCNCc1cccc(c1)C 34a_100000185548_100000210303 [0,1,0,1,0,0|2,0,0]=4 2295 B12R1.28 CCCNCc1cccc(c1)Cl 207a_100020643023_100000210801 [0,1,0,1,0,0|2,0,0]=4 2296 B12R1.28 CCCNCc1cccc(c1)Cl 2230a_100000174878_100000210303 [0,1,0,1,0,0|2,0,0]=4 2297 B12R1.28 CCCNCc1cccc(c1)Cl 270004a_100020643023_100000210801 [0,1,0,1,0,0|2,0,0]=4 2298 B12R1.28 CCCNCc1cccc(c1)Cl 34a_100000174878_100000210303 [0,1,0,1,0,0|2,0,0]=4 2299 B12R1.28 CCCNCc1cccc(c1)F 207a_100020643023_100000210812 [0,1,0,1,0,0|2,0,0]=4 2300 B12R1.28 CCCNCc1cccc(c1)F 2230a_100000174948_100000210303 [0,1,0,1,0,0|2,0,0]=4 2301 B12R1.28 CCCNCc1cccc(c1)F 270004a_100020643023_100000210812 [0,1,0,1,0,0|2,0,0]=4 2302 B12R1.28 CCCNCc1cccc(c1)F 34a_100000174948_100000210303 [0,1,0,1,0,0|2,0,0]=4 2303 B12R1.28 CCCNCc1cccc(c1)I 207a_100020643023_100000014684 [0,1,0,1,0,0|2,0,0]=4 2304 B12R1.28 CCCNCc1cccc(c1)I 2230a_100000106179_100000210303 [0,1,0,1,0,0|2,0,0]=4 2305 B12R1.28 CCCNCc1cccc(c1)I 270004a_100020643023_100000014684 [0,1,0,1,0,0|2,0,0]=4 2306 B12R1.28 CCCNCc1cccc(c1)I 34a_100000106179_100000210303 [0,1,0,1,0,0|2,0,0]=4 2307 B12R1.28 CCCNCc1cccc(c1)O 207a_100020643023_100000188321 [0,1,0,1,0,0|1,0,1]=4 2308 B12R1.28 CCCNCc1cccc(c1)O 2230a_100000743036_100000210303 [0,1,0,1,0,0|1,0,1]=4 2309 B12R1.28 CCCNCc1cccc(c1)O 270004a_100020643023_100000188321 [0,1,0,1,0,0|1,0,1]=4 2310 B12R1.28 CCCNCc1cccc(c1)O 271570a_203496583355_100015184641 [0,1,0,1,0,0|1,0,1]=4 2311 B12R1.28 CCCNCc1cccc(c1)O 34a_100000743036_100000210303 [0,1,0,1,0,0|1,0,1]=4 2312 B12R1.28 CCCNCc1cccc(n1)Br 2230a_100016987751_100000210303 [0,1,0,1,0,0|2,0,0]=4 2313 B12R1.28 CCCNCc1cccc(n1)Br 270004a_100020643023_100000688028 [0,1,0,1,0,0|2,0,0]=4 2314 B12R1.28 CCCNCc1cccc(n1)C 207a_100020643023_100011215050 [0,1,0,1,0,0|2,0,0]=4 2315 B12R1.28 CCCNCc1cccc(n1)C 270004a_100020643023_100011215050 [0,1,0,1,0,0|2,0,0]=4 2316 B12R1.28 CCCNCc1cccc(n1)C 34a_100000701342_100000210303 [0,1,0,1,0,0|2,0,0]=4 2317 B12R1.28 CCCNCc1cccc(n1)Cl 2230a_100016990191_100000210303 [0,1,0,1,0,0|2,0,0]=4 2318 B12R1.28 CCCNCc1cccc(n1)Cl 270004a_100020643023_100011361687 [0,1,0,1,0,0|2,0,0]=4 2319 B12R1.28 CCCNCc1cccc(n1)F 2230a_100015188798_100000210303 [0,1,0,1,0,0|2,0,0]=4 2320 B12R1.28 CCCNCc1cccc(n1)F 270004a_100020643023_100000050434 [0,1,0,1,0,0|2,0,0]=4 2321 B12R1.28 CCCNCc1cccc(n1)F 34a_100015188798_100000210303 [0,1,0,1,0,0|2,0,0]=4 2322 B12R1.28 CCCOCc1cc(ccn1)Br 34a_100000210258_100010173614 [0,1,0,1,0,0|2,0,0]=4 2323 B12R1.28 CCCOCc1cc(ccn1)C 34a_100000210258_100000718516 [0,1,0,1,0,0|2,0,0]=4 2324 B12R1.28 CCCOCc1cc(ccn1)C 34a_100011998357_100000210303 [0,1,0,1,0,0|2,0,0]=4 2325 B12R1.28 CCCOCc1cc(ccn1)Cl 34a_100000210258_100016988179 [0,1,0,1,0,0|2,0,0]=4 2326 B12R1.28 CCCOCc1cc(ccn1)Cl 34a_100000748867_100000210303 [0,1,0,1,0,0|2,0,0]=4 2327 B12R1.28 CCCOCc1cc(ccn1)N 34a_100000692640_100000210303 [0,1,0,1,0,0|2,0,0]=4 2328 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000210258_100000698116 [0,1,0,1,0,0|2,0,0]=4 2329 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000687537_100000210303 [0,1,0,1,0,0|2,0,0]=4 2330 B12R1.28 CCCOCc1cccc(c1)Br 7a_100000687537_100000210303 [0,1,0,1,0,0|2,0,0]=4 2331 B12R1.28 CCCOCc1cccc(c1)C 34a_100000210258_100000211840 [0,1,0,1,0,0|2,0,0]=4 2332 B12R1.28 CCCOCc1cccc(c1)C 34a_100011217746_100000210303 [0,1,0,1,0,0|2,0,0]=4 2333 B12R1.28 CCCOCc1cccc(c1)C 7a_100011217746_100000210303 [0,1,0,1,0,0|2,0,0]=4 2334 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000210258_100000187163 [0,1,0,1,0,0|2,0,0]=4 2335 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000241301_100000210303 [0,1,0,1,0,0|2,0,0]=4 2336 B12R1.28 CCCOCc1cccc(c1)Cl 7a_100000241301_100000210303 [0,1,0,1,0,0|2,0,0]=4 2337 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210258_100000187166 [0,1,0,1,0,0|2,0,0]=4 2338 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210976_100000210303 [0,1,0,1,0,0|2,0,0]=4 2339 B12R1.28 CCCOCc1cccc(c1)F 7a_100000210976_100000210303 [0,1,0,1,0,0|2,0,0]=4 2340 B12R1.28 CCCOCc1cccc(c1)I 34a_100000210258_100011218688 [0,1,0,1,0,0|2,0,0]=4 2341 B12R1.28 CCCOCc1cccc(c1)I 34a_100011215336_100000210303 [0,1,0,1,0,0|2,0,0]=4 2342 B12R1.28 CCCOCc1cccc(c1)I 7a_100011215336_100000210303 [0,1,0,1,0,0|2,0,0]=4 2343 B12R1.28 CCCOCc1cccc(c1)N 34a_100000211919_100000210303 [0,1,0,1,0,0|2,0,0]=4 2344 B12R1.28 CCCOCc1cccc(c1)O 34a_100000210258_100011660834 [0,1,0,1,0,0|1,0,1]=4 2345 B12R1.28 CCCOCc1cccc(n1)Br 34a_100000210258_100009889011 [0,1,0,1,0,0|2,0,0]=4 2346 B12R1.28 CCCOCc1cccc(n1)Br 34a_100000694195_100000210303 [0,1,0,1,0,0|2,0,0]=4 2347 B12R1.28 CCCOCc1cccc(n1)C 34a_100000210258_100000757606 [0,1,0,1,0,0|2,0,0]=4 2348 B12R1.28 CCCOCc1cccc(n1)C 34a_100000690600_100000210303 [0,1,0,1,0,0|2,0,0]=4 2349 B12R1.28 CCCOCc1cccc(n1)Cl 34a_100000210258_100000086093 [0,1,0,1,0,0|2,0,0]=4 2350 B12R1.28 CCCOCc1cccc(n1)Cl 34a_100011998359_100000210303 [0,1,0,1,0,0|2,0,0]=4 2351 B12R1.28 CCCOCc1cccc(n1)F 34a_100000086748_100000210303 [0,1,0,1,0,0|2,0,0]=4 2352 B12R1.28 CCCOCc1cccc(n1)F 34a_100000210258_100009819644 [0,1,0,1,0,0|2,0,0]=4 2353 B12R1.28 CCCSCc1cc(ccn1)Br 62a_100000210303_100010173614 [0,1,0,1,0,0|2,0,0]=4 2354 B12R1.28 CCCSCc1cc(ccn1)Br 62a_100010173614_100000210303 [0,1,0,1,0,0|2,0,0]=4 2355 B12R1.28 CCCSCc1cc(ccn1)C 62a_100000210303_100000718516 [0,1,0,1,0,0|2,0,0]=4 2356 B12R1.28 CCCSCc1cc(ccn1)C 62a_100000718516_100000210303 [0,1,0,1,0,0|2,0,0]=4 2357 B12R1.28 CCCSCc1cc(ccn1)Cl 62a_100000210303_100016988179 [0,1,0,1,0,0|2,0,0]=4 2358 B12R1.28 CCCSCc1cc(ccn1)Cl 62a_100016988179_100000210303 [0,1,0,1,0,0|2,0,0]=4 2359 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000210303_100000211773 [0,1,0,1,0,0|2,0,0]=4 2360 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000211773_100000210303 [0,1,0,1,0,0|2,0,0]=4 2361 B12R1.28 CCCSCc1cccc(c1)C 62a_100000210303_100000211840 [0,1,0,1,0,0|2,0,0]=4 2362 B12R1.28 CCCSCc1cccc(c1)C 62a_100000211840_100000210303 [0,1,0,1,0,0|2,0,0]=4 2363 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000187163_100000210303 [0,1,0,1,0,0|2,0,0]=4 2364 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000210303_100000187163 [0,1,0,1,0,0|2,0,0]=4 2365 B12R1.28 CCCSCc1cccc(c1)F 62a_100000210303_100000230114 [0,1,0,1,0,0|2,0,0]=4 2366 B12R1.28 CCCSCc1cccc(c1)F 62a_100000230114_100000210303 [0,1,0,1,0,0|2,0,0]=4 2367 B12R1.28 CCCSCc1cccc(c1)I 62a_100000210303_100011218688 [0,1,0,1,0,0|2,0,0]=4 2368 B12R1.28 CCCSCc1cccc(c1)I 62a_100011218688_100000210303 [0,1,0,1,0,0|2,0,0]=4 2369 B12R1.28 CCCSCc1cccc(c1)O 62a_100000210303_100011660834 [0,1,0,1,0,0|1,0,1]=4 2370 B12R1.28 CCCSCc1cccc(c1)O 62a_100011660834_100000210303 [0,1,0,1,0,0|1,0,1]=4 2371 B12R1.28 CCCSCc1cccc(n1)Br 62a_100000210303_100009889011 [0,1,0,1,0,0|2,0,0]=4 2372 B12R1.28 CCCSCc1cccc(n1)Br 62a_100009889011_100000210303 [0,1,0,1,0,0|2,0,0]=4 2373 B12R1.28 CCCSCc1cccc(n1)C 62a_100000210303_100000757606 [0,1,0,1,0,0|2,0,0]=4 2374 B12R1.28 CCCSCc1cccc(n1)C 62a_100000757606_100000210303 [0,1,0,1,0,0|2,0,0]=4 2375 B12R1.28 CCCSCc1cccc(n1)Cl 62a_100000086093_100000210303 [0,1,0,1,0,0|2,0,0]=4 2376 B12R1.28 CCCSCc1cccc(n1)Cl 62a_100000210303_100000086093 [0,1,0,1,0,0|2,0,0]=4 2377 B12R1.28 CCCSCc1cccc(n1)F 62a_100000210303_100009819644 [0,1,0,1,0,0|2,0,0]=4 2378 B12R1.28 CCCSCc1cccc(n1)F 62a_100009819644_100000210303 [0,1,0,1,0,0|2,0,0]=4 2379 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100011207229_100000210202 [0,1,0,1,0,0|2,0,0]=4 2380 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100015525214_100011740638 [0,1,0,1,0,0|2,0,0]=4 2381 B12R1.28 CCNCCc1cccc(c1)Br 34a_100011207229_100000210202 [0,1,0,1,0,0|2,0,0]=4 2382 B12R1.28 CCNCCc1cccc(c1)C 2230a_100000749837_100000210202 [0,1,0,1,0,0|2,0,0]=4 2383 B12R1.28 CCNCCc1cccc(c1)C 2230a_100015525214_100011713685 [0,1,0,1,0,0|2,0,0]=4 2384 B12R1.28 CCNCCc1cccc(c1)C 34a_100000749837_100000210202 [0,1,0,1,0,0|2,0,0]=4 2385 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100000185263_100000210202 [0,1,0,1,0,0|2,0,0]=4 2386 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100015525214_100011713710 [0,1,0,1,0,0|2,0,0]=4 2387 B12R1.28 CCNCCc1cccc(c1)Cl 34a_100000185263_100000210202 [0,1,0,1,0,0|2,0,0]=4 2388 B12R1.28 CCNCCc1cccc(c1)F 2230a_100000205154_100000210202 [0,1,0,1,0,0|2,0,0]=4 2389 B12R1.28 CCNCCc1cccc(c1)F 2230a_100015525214_100011217235 [0,1,0,1,0,0|2,0,0]=4 2390 B12R1.28 CCNCCc1cccc(c1)F 34a_100000205154_100000210202 [0,1,0,1,0,0|2,0,0]=4 2391 B12R1.28 CCNCCc1cccc(c1)O 2230a_100000747277_100000210202 [0,1,0,1,0,0|1,0,1]=4 2392 B12R1.28 CCNCCc1cccc(c1)O 34a_100000747277_100000210202 [0,1,0,1,0,0|1,0,1]=4 2393 B12R1.28 CCNCCc1cccc(n1)C 2230a_100011824523_100000210202 [0,1,0,1,0,0|2,0,0]=4 2394 B12R1.28 CCNCCc1cccc(n1)C 34a_100011824523_100000210202 [0,1,0,1,0,0|2,0,0]=4 2395 B12R1.28 CCOCCc1cccc(c1)Br 34a_100011217444_100000210202 [0,1,0,1,0,0|2,0,0]=4 2396 B12R1.28 CCOCCc1cccc(c1)Br 34a_100121572206_100011740638 [0,1,0,1,0,0|2,0,0]=4 2397 B12R1.28 CCOCCc1cccc(c1)Br 7a_100011217444_100000210202 [0,1,0,1,0,0|2,0,0]=4 2398 B12R1.28 CCOCCc1cccc(c1)C 34a_100011217157_100000210202 [0,1,0,1,0,0|2,0,0]=4 2399 B12R1.28 CCOCCc1cccc(c1)C 34a_100121572206_100011713685 [0,1,0,1,0,0|2,0,0]=4 2400 B12R1.28 CCOCCc1cccc(c1)C 7a_100011217157_100000210202 [0,1,0,1,0,0|2,0,0]=4 2401 B12R1.28 CCOCCc1cccc(c1)Cl 34a_100000754733_100000210202 [0,1,0,1,0,0|2,0,0]=4 2402 B12R1.28 CCOCCc1cccc(c1)Cl 34a_100121572206_100011713710 [0,1,0,1,0,0|2,0,0]=4 2403 B12R1.28 CCOCCc1cccc(c1)Cl 7a_100000754733_100000210202 [0,1,0,1,0,0|2,0,0]=4 2404 B12R1.28 CCOCCc1cccc(c1)F 34a_100000763591_100000210202 [0,1,0,1,0,0|2,0,0]=4 2405 B12R1.28 CCOCCc1cccc(c1)F 34a_100121572206_100011217235 [0,1,0,1,0,0|2,0,0]=4 2406 B12R1.28 CCOCCc1cccc(c1)F 7a_100000763591_100000210202 [0,1,0,1,0,0|2,0,0]=4 2407 B12R1.28 CCOCCc1cccc(c1)N 34a_100011996697_100000210202 [0,1,0,1,0,0|2,0,0]=4 2408 B12R1.28 CCOCCc1cccc(n1)Br 34a_100010221043_100000210202 [0,1,0,1,0,0|2,0,0]=4 2409 B12R1.28 CCOCCc1cccc(n1)Br 7a_100010221043_100000210202 [0,1,0,1,0,0|2,0,0]=4 2410 B12R1.28 CCOCSc1cccc(=O)[nH]1 62a_100000739092_100000752884 [0,1,0,1,0,0|2,0,0]=4 2411 B12R1.28 CCSCCc1cccc(c1)Br 62a_100000210202_100011740638 [0,1,0,1,0,0|2,0,0]=4 2412 B12R1.28 CCSCCc1cccc(c1)Br 62a_100011740638_100000210202 [0,1,0,1,0,0|2,0,0]=4 2413 B12R1.28 CCSCCc1cccc(c1)C 62a_100000210202_100011713685 [0,1,0,1,0,0|2,0,0]=4 2414 B12R1.28 CCSCCc1cccc(c1)C 62a_100011713685_100000210202 [0,1,0,1,0,0|2,0,0]=4 2415 B12R1.28 CCSCCc1cccc(c1)Cl 62a_100000210202_100011713710 [0,1,0,1,0,0|2,0,0]=4 2416 B12R1.28 CCSCCc1cccc(c1)Cl 62a_100011713710_100000210202 [0,1,0,1,0,0|2,0,0]=4 2417 B12R1.28 CCSCCc1cccc(c1)F 62a_100000210202_100011217235 [0,1,0,1,0,0|2,0,0]=4 2418 B12R1.28 CCSCCc1cccc(c1)F 62a_100011217235_100000210202 [0,1,0,1,0,0|2,0,0]=4 2419 B12R1.28 CNCCCc1cccc(c1)Br 2230a_100000753791_200000210301 [0,1,0,1,0,0|2,0,0]=4 2420 B12R1.28 CNCCCc1cccc(c1)Br 2230a_106832991635_100011713683 [0,1,0,1,0,0|2,0,0]=4 2421 B12R1.28 CNCCCc1cccc(c1)Br 34a_100000753791_200000210301 [0,1,0,1,0,0|2,0,0]=4 2422 B12R1.28 CNCCCc1cccc(c1)Br 34a_100102657272_100011713683 [0,1,0,1,0,0|2,0,0]=4 2423 B12R1.28 CNCCCc1cccc(c1)Br 7a_106832991635_100011713683 [0,1,0,1,0,0|2,0,0]=4 2424 B12R1.28 CNCCCc1cccc(c1)C 2230a_103496528808_200000210301 [0,1,0,1,0,0|2,0,0]=4 2425 B12R1.28 CNCCCc1cccc(c1)C 34a_103496528808_200000210301 [0,1,0,1,0,0|2,0,0]=4 2426 B12R1.28 CNCCCc1cccc(c1)Cl 2230a_100000704586_200000210301 [0,1,0,1,0,0|2,0,0]=4 2427 B12R1.28 CNCCCc1cccc(c1)Cl 34a_100000704586_200000210301 [0,1,0,1,0,0|2,0,0]=4 2428 B12R1.28 CNCCCc1cccc(c1)F 2230a_100000754185_200000210301 [0,1,0,1,0,0|2,0,0]=4 2429 B12R1.28 CNCCCc1cccc(c1)F 2230a_106832991635_200000698031 [0,1,0,1,0,0|2,0,0]=4 2430 B12R1.28 CNCCCc1cccc(c1)F 34a_100000754185_200000210301 [0,1,0,1,0,0|2,0,0]=4 2431 B12R1.28 CNCCCc1cccc(c1)F 34a_100102657272_200000698031 [0,1,0,1,0,0|2,0,0]=4 2432 B12R1.28 CNCCCc1cccc(c1)F 7a_106832991635_200000698031 [0,1,0,1,0,0|2,0,0]=4 2433 B12R1.28 COCCCc1cccc(c1)Br 34a_100011709248_200000210301 [0,1,0,1,0,0|2,0,0]=4 2434 B12R1.28 COCCCc1cccc(c1)Br 34a_100138415774_100011713683 [0,1,0,1,0,0|2,0,0]=4 2435 B12R1.28 COCCCc1cccc(c1)Br 7a_100011709248_200000210301 [0,1,0,1,0,0|2,0,0]=4 2436 B12R1.28 COCCCc1cccc(c1)Cl 34a_100011709246_200000210301 [0,1,0,1,0,0|2,0,0]=4 2437 B12R1.28 COCCCc1cccc(c1)Cl 7a_100011709246_200000210301 [0,1,0,1,0,0|2,0,0]=4 2438 B12R1.28 COCCCc1cccc(c1)F 34a_100138415774_200000698031 [0,1,0,1,0,0|2,0,0]=4 2439 B12R1.28 COCCCc1cccc(c1)N 34a_200000698965_200000210301 [0,1,0,1,0,0|2,0,0]=4 2440 B12R1.28 COCCCc1cccc(c1)N 7a_200000698965_200000210301 [0,1,0,1,0,0|2,0,0]=4 2441 B12R1.28 COCCCc1cccc(n1)C 34a_100000211354_200000210301 [0,1,0,1,0,0|2,0,0]=4 2442 B12R1.28 COCCOc1cccc(=O)[nH]1 34a_100000033347_100011201679 [0,1,0,1,0,0|2,0,0]=4 2443 B12R1.28 COCCSc1cccc(=O)[nH]1 62a_100000233755_100000752884 [0,1,0,1,0,0|2,0,0]=4 2444 B12R1.28 COCNCc1cccc(=O)[nH]1 2230a_100000696482_100000766300 [0,1,0,1,0,0|2,0,0]=4 2445 B12R1.28 CSCCCc1cccc(c1)Br 62a_100011713683_200000210301 [0,1,0,1,0,0|2,0,0]=4 2446 B12R1.28 CSCCCc1cccc(c1)Br 62a_200000210301_100011713683 [0,1,0,1,0,0|2,0,0]=4 2447 B12R1.28 CSCCCc1cccc(c1)F 62a_200000210301_200000698031 [0,1,0,1,0,0|2,0,0]=4 2448 B12R1.28 CSCCCc1cccc(c1)F 62a_200000698031_200000210301 [0,1,0,1,0,0|2,0,0]=4 2449 B12R1.28 CSCCOc1cccc(=O)[nH]1 34a_100000033347_100000212216 [0,1,0,1,0,0|2,0,0]=4 2450 B12R1.28 CSCCSc1cccc(=O)[nH]1 62a_100000212216_100000752884 [0,1,0,1,0,0|2,0,0]=4 2451 B12R1.28 CSCNCc1cccc(=O)[nH]1 2230a_100000696482_100011218213 [0,1,0,1,0,0|2,0,0]=4 2452 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 2230a_103496528808_200025704644 [0,1,0,1,0,0|2,0,0]=4 2453 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 34a_103496528808_200025704644 [0,1,0,1,0,0|2,0,0]=4 2454 B12R1.28 Cc1cccc(n1)CCCO[13CH3] 34a_100000211354_200025704644 [0,1,0,1,0,0|2,0,0]=4 2455 B12R1.28 O=c1cccc([nH]1)CNCCF 2230a_100000696482_100011217306 [0,1,0,1,0,0|2,0,0]=4 2456 B12R1.28 O=c1cccc([nH]1)CNCCO 207a_100000210304_100011935257 [0,1,0,1,0,0|2,0,0]=4 2457 B12R1.28 O=c1cccc([nH]1)CNCCO 2230a_100000696482_100000211926 [0,1,0,1,0,0|2,0,0]=4 2458 B12R1.28 O=c1cccc([nH]1)OCCCF 34a_100000033347_100011934791 [0,1,0,1,0,0|2,0,0]=4 2459 B12R1.28 O=c1cccc([nH]1)OCCCO 34a_100000033347_100000230001 [0,1,0,1,0,0|2,0,0]=4 2460 B12R1.28 O=c1cccc([nH]1)SCCCF 62a_100011934791_100000752884 [0,1,0,1,0,0|2,0,0]=4 2461 B12R1.28 O=c1cccc([nH]1)SCCCO 62a_100011215043_100000752884 [0,1,0,1,0,0|2,0,0]=4 2462 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 2230a_100000753791_200025704644 [0,1,0,1,0,0|2,0,0]=4 2463 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 34a_100000753791_200025704644 [0,1,0,1,0,0|2,0,0]=4 2464 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 2230a_100000704586_200025704644 [0,1,0,1,0,0|2,0,0]=4 2465 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 34a_100000704586_200025704644 [0,1,0,1,0,0|2,0,0]=4 2466 B12R1.28 [13CH3]NCCCc1cccc(c1)F 2230a_100000754185_200025704644 [0,1,0,1,0,0|2,0,0]=4 2467 B12R1.28 [13CH3]NCCCc1cccc(c1)F 34a_100000754185_200025704644 [0,1,0,1,0,0|2,0,0]=4 2468 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 34a_100011709248_200025704644 [0,1,0,1,0,0|2,0,0]=4 2469 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 7a_100011709248_200025704644 [0,1,0,1,0,0|2,0,0]=4 2470 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 34a_100011709246_200025704644 [0,1,0,1,0,0|2,0,0]=4 2471 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 7a_100011709246_200025704644 [0,1,0,1,0,0|2,0,0]=4 2472 B12R1.28 [13CH3]OCCCc1cccc(c1)N 34a_200000698965_200025704644 [0,1,0,1,0,0|2,0,0]=4 2473 B12R1.28 [13CH3]OCCCc1cccc(c1)N 7a_200000698965_200025704644 [0,1,0,1,0,0|2,0,0]=4 2474 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_100011713683_200025704644 [0,1,0,1,0,0|2,0,0]=4 2475 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_200025704644_100011713683 [0,1,0,1,0,0|2,0,0]=4 2476 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200000698031_200025704644 [0,1,0,1,0,0|2,0,0]=4 2477 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200025704644_200000698031 [0,1,0,1,0,0|2,0,0]=4 2478 B12R1.32 C=CCC(=O)C=C1CCCCC1 1458a_100000743792_100000210623 [0,1,0,1,0,0|1,0,1]=4 2479 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [0,1,0,1,0,0|2,0,0]=4 2480 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [0,1,0,1,0,0|2,0,0]=4 2481 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,1,0,1,0,0|1,0,1]=4 2482 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000211992_100000721315 [0,1,0,1,0,0|1,0,1]=4 2483 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000233486_100000210303 [0,1,0,1,0,0|1,0,1]=4 2484 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [0,1,0,1,0,0|2,0,0]=4 2485 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [0,1,0,1,0,0|2,0,0]=4 2486 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [0,1,0,1,0,0|2,0,0]=4 2487 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [0,1,0,1,0,0|2,0,0]=4 2488 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [0,1,0,1,0,0|2,0,0]=4 2489 B12R1.32 CCCC(C)Sc1ccccn1 62a_100000766640_100011216584 [0,1,0,1,0,0|2,0,0]=4 2490 B12R1.32 CCCC(C)Sc1ccccn1 62a_100011216584_100000766640 [0,1,0,1,0,0|2,0,0]=4 2491 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [0,1,0,1,0,0|2,0,0]=4 2492 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [0,1,0,1,0,0|2,0,0]=4 2493 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [0,1,0,1,0,0|2,0,0]=4 2494 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [0,1,0,1,0,0|2,0,0]=4 2495 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [0,1,0,1,0,0|2,0,0]=4 2496 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [0,1,0,1,0,0|2,0,0]=4 2497 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [0,1,0,1,0,0|2,0,0]=4 2498 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000207498_100000210303 [0,1,0,1,0,0|2,0,0]=4 2499 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000747261_100000721315 [0,1,0,1,0,0|2,0,0]=4 2500 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100160999930_200000210301 [0,1,0,1,0,0|2,0,0]=4 2501 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000207498_100000210303 [0,1,0,1,0,0|2,0,0]=4 2502 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000747261_100000721315 [0,1,0,1,0,0|2,0,0]=4 2503 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100160999930_200000210301 [0,1,0,1,0,0|2,0,0]=4 2504 B12R1.32 CCCN(C)Cc1ccccn1 270004a_100000747261_100000209966 [0,1,0,1,0,0|2,0,0]=4 2505 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [0,1,0,1,0,0|2,0,0]=4 2506 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [0,1,0,1,0,0|2,0,0]=4 2507 B12R1.32 CCCN([13CH3])Cc1ccccn1 2230a_100160999930_200025704644 [0,1,0,1,0,0|2,0,0]=4 2508 B12R1.32 CCCN([13CH3])Cc1ccccn1 269982a_100160999930_200025704644 [0,1,0,1,0,0|2,0,0]=4 2509 B12R1.32 CCNC(C)Cc1ccccn1 2230a_100000238496_100000210202 [0,1,0,1,0,0|2,0,0]=4 2510 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [0,1,0,1,0,0|2,0,0]=4 2511 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [0,1,0,1,0,0|2,0,0]=4 2512 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [0,1,0,1,0,0|2,0,0]=4 2513 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [0,1,0,1,0,0|2,0,0]=4 2514 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [0,1,0,1,0,0|2,0,0]=4 2515 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [0,1,0,1,0,0|2,0,0]=4 2516 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [0,1,0,1,0,0|2,0,0]=4 2517 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [0,1,0,1,0,0|2,0,0]=4 2518 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [0,1,0,1,0,0|2,0,0]=4 2519 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [0,1,0,1,0,0|2,0,0]=4 2520 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [0,1,0,1,0,0|2,0,0]=4 2521 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [0,1,0,1,0,0|2,0,0]=4 2522 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [0,1,0,1,0,0|2,0,0]=4 2523 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [0,1,0,1,0,0|2,0,0]=4 2524 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [0,1,0,1,0,0|2,0,0]=4 2525 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [0,1,0,1,0,0|2,0,0]=4 2526 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [0,1,0,1,0,0|2,0,0]=4 2527 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [0,1,0,1,0,0|2,0,0]=4 2528 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [0,1,0,1,0,0|2,0,0]=4 2529 B12R1.51 CCCC(C)CSc1ccco1 62a_100009814098_100011216630 [0,1,0,1,0,0|1,0,1]=4 2530 B12R1.51 CCCC(C)CSc1ccco1 62a_100011216630_100009814098 [0,1,0,1,0,0|1,0,1]=4 2531 B12R1.51 CCCC(C)CSc1cccs1 62a_100011215356_100011216630 [0,1,0,1,0,0|1,1,0]=4 2532 B12R1.51 CCCC(C)CSc1cccs1 62a_100011216630_100011215356 [0,1,0,1,0,0|1,1,0]=4 2533 B12R1.69 CCCCc1ccc(cc1Br)Br 271570a_100020621405_100011484698 [0,1,0,1,0,0|1,0,1]=4 2534 B12R1.69 CCCCc1ccc(cc1Br)C 271570a_100020621405_100009813563 [0,1,0,1,0,0|1,0,1]=4 2535 B12R1.69 CCCCc1ccc(cc1Br)Cl 271570a_100020621405_100011219703 [0,1,0,1,0,0|1,0,1]=4 2536 B12R1.69 CCCCc1ccc(cc1Br)F 271570a_100020621405_100011217111 [0,1,0,1,0,0|1,0,1]=4 2537 B12R1.69 CCCCc1ccc(cc1Br)N 271570a_100020621405_100000750458 [0,1,0,1,0,0|1,0,1]=4 2538 B12R1.69 CCCCc1ccc(cc1Br)O 271570a_100020621405_100000701344 [0,1,0,1,0,0|1,0,1]=4 2539 B12R1.69 CCCCc1ccc(cc1C)Br 271570a_100020621405_100000701812 [0,1,0,1,0,0|1,0,1]=4 2540 B12R1.69 CCCCc1ccc(cc1C)C 271570a_100020621405_100011217332 [0,1,0,1,0,0|1,0,1]=4 2541 B12R1.69 CCCCc1ccc(cc1C)Cl 271570a_100020621405_100011219607 [0,1,0,1,0,0|1,0,1]=4 2542 B12R1.69 CCCCc1ccc(cc1C)F 271570a_100020621405_100011205405 [0,1,0,1,0,0|1,0,1]=4 2543 B12R1.69 CCCCc1ccc(cc1C)N 271570a_100020621405_100000210723 [0,1,0,1,0,0|1,0,1]=4 2544 B12R1.69 CCCCc1ccc(cc1C)O 271570a_100020621405_100000729255 [0,1,0,1,0,0|1,0,1]=4 2545 B12R1.69 CCCCc1ccc(cc1Cl)Br 271570a_100020621405_100011216062 [0,1,0,1,0,0|1,0,1]=4 2546 B12R1.69 CCCCc1ccc(cc1Cl)C 271570a_100020621405_100011263221 [0,1,0,1,0,0|1,0,1]=4 2547 B12R1.69 CCCCc1ccc(cc1Cl)Cl 271570a_100020621405_100000699841 [0,1,0,1,0,0|1,0,1]=4 2548 B12R1.69 CCCCc1ccc(cc1Cl)F 271570a_100020621405_100000733362 [0,1,0,1,0,0|1,0,1]=4 2549 B12R1.69 CCCCc1ccc(cc1Cl)N 271570a_100020621405_100000761885 [0,1,0,1,0,0|1,0,1]=4 2550 B12R1.69 CCCCc1ccc(cc1Cl)O 271570a_100020621405_100000047559 [0,1,0,1,0,0|1,0,1]=4 2551 B12R1.69 CCCCc1ccc(cc1F)Br 271570a_100020621405_100009814013 [0,1,0,1,0,0|1,0,1]=4 2552 B12R1.69 CCCCc1ccc(cc1F)C 271570a_100020621405_100011216119 [0,1,0,1,0,0|1,0,1]=4 2553 B12R1.69 CCCCc1ccc(cc1F)Cl 271570a_100020621405_100011216042 [0,1,0,1,0,0|1,0,1]=4 2554 B12R1.69 CCCCc1ccc(cc1F)F 271570a_100020621405_100000750030 [0,1,0,1,0,0|1,0,1]=4 2555 B12R1.69 CCCCc1ccc(cc1F)N 271570a_100020621405_100011356925 [0,1,0,1,0,0|1,0,1]=4 2556 B12R1.69 CCCCc1ccc(cc1F)O 271570a_100020621405_100000755031 [0,1,0,1,0,0|1,0,1]=4 2557 B12R1.69 CCCCc1ccc(cc1N)Br 271570a_100020621405_100000743836 [0,1,0,1,0,0|1,0,1]=4 2558 B12R1.69 CCCCc1ccc(cc1N)C 271570a_100020621405_100011216686 [0,1,0,1,0,0|1,0,1]=4 2559 B12R1.69 CCCCc1ccc(cc1N)Cl 271570a_100020621405_100000761886 [0,1,0,1,0,0|1,0,1]=4 2560 B12R1.69 CCCCc1ccc(cc1N)F 271570a_100020621405_100011218093 [0,1,0,1,0,0|1,0,1]=4 2561 B12R1.69 CCCCc1ccc(cc1N)N 271570a_100020621405_200012175722 [0,1,0,1,0,0|1,0,1]=4 2562 B12R1.69 CCCCc1ccc(cc1N)O 271570a_100020621405_100011999798 [0,1,0,1,0,0|1,0,1]=4 2563 B12R1.69 CCCCc1ccc(cc1O)Br 271570a_100020621405_100012344904 [0,1,0,1,0,0|0,0,2]=4 2564 B12R1.69 CCCCc1ccc(cc1O)C 271570a_100020621405_100012002257 [0,1,0,1,0,0|0,0,2]=4 2565 B12R1.69 CCCCc1ccc(cc1O)Cl 271570a_100020621405_100000050036 [0,1,0,1,0,0|0,0,2]=4 2566 B12R1.69 CCCCc1ccc(cc1O)F 271570a_100020621405_100000690578 [0,1,0,1,0,0|0,0,2]=4 2567 B12R1.69 CCCCc1ccc(cc1O)O 271570a_100020621405_100009813921 [0,1,0,1,0,0|0,0,2]=4 2568 B12R1.69 COCCn1ccc(cc1=O)O 271570a_203496583355_200015743058 [0,1,0,1,0,0|2,0,0]=4 2569 B12R1.1 CCCCCc1ccc(cc1)O 271570a_203496583355_100009813665 [0,1,0,1,0,0|1,0,0]=3 2570 B12R1.1 CCCCNc1ccc(cc1)Br 2230a_100000210018_100000210211 [0,1,0,1,0,0|2,0,0]=4 2571 B12R1.1 CCCCNc1ccc(cc1)Br 34a_100000210018_100000210210 [0,1,0,1,0,0|2,0,0]=4 2572 B12R1.1 CCCCNc1ccc(cc1)C 34a_100000124888_100000210210 [0,1,0,1,0,0|2,0,0]=4 2573 B12R1.1 CCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210211 [0,1,0,1,0,0|2,0,0]=4 2574 B12R1.1 CCCCNc1ccc(cc1)Cl 34a_100000210052_100000210210 [0,1,0,1,0,0|2,0,0]=4 2575 B12R1.1 CCCCNc1ccc(cc1)F 34a_100000185862_100000210210 [0,1,0,1,0,0|2,0,0]=4 2576 B12R1.1 CCCCNc1ccc(cc1)I 34a_100000185761_100000210210 [0,1,0,1,0,0|2,0,0]=4 2577 B12R1.1 CCCCNc1ccc(cc1)O 34a_100000185829_100000210210 [0,1,0,1,0,0|2,0,0]=4 2578 B12R1.1 CCCCNc1ccc(cn1)Br 27a_100000102301_100000686858 [0,1,0,1,0,0|2,0,0]=4 2579 B12R1.1 CCCCNc1ccc(cn1)O 271570a_203496583355_200011243049 [0,1,0,1,0,0|2,0,0]=4 2580 B12R1.1 CCCCOc1ccc(cc1)Br 34a_100000185759_100000210210 [0,1,0,1,0,0|2,0,0]=4 2581 B12R1.1 CCCCOc1ccc(cc1)Br 7a_100000185759_100000210211 [0,1,0,1,0,0|2,0,0]=4 2582 B12R1.1 CCCCOc1ccc(cc1)C 34a_100000210336_100000210210 [0,1,0,1,0,0|2,0,0]=4 2583 B12R1.1 CCCCOc1ccc(cc1)C 7a_100000210336_100000210211 [0,1,0,1,0,0|2,0,0]=4 2584 B12R1.1 CCCCOc1ccc(cc1)Cl 34a_100000210216_100000210210 [0,1,0,1,0,0|2,0,0]=4 2585 B12R1.1 CCCCOc1ccc(cc1)Cl 7a_100000210216_100000210211 [0,1,0,1,0,0|2,0,0]=4 2586 B12R1.1 CCCCOc1ccc(cc1)F 34a_100000210339_100000210210 [0,1,0,1,0,0|2,0,0]=4 2587 B12R1.1 CCCCOc1ccc(cc1)I 34a_100000212066_100000210210 [0,1,0,1,0,0|2,0,0]=4 2588 B12R1.1 CCCCOc1ccc(cc1)I 7a_100000212066_100000210211 [0,1,0,1,0,0|2,0,0]=4 2589 B12R1.1 CCCCOc1ccc(cc1)N 34a_100000185829_100000210210 [0,1,0,1,0,0|2,0,0]=4 2590 B12R1.1 CCCCOc1ccc(cc1)O 271570a_203496583355_100000230682 [0,1,0,1,0,0|2,0,0]=4 2591 B12R1.1 CCCCOc1ccc(cn1)C 34a_100000759353_100000210210 [0,1,0,1,0,0|2,0,0]=4 2592 B12R1.1 CCCCOc1ccc(cn1)Cl 34a_100011215309_100000210210 [0,1,0,1,0,0|2,0,0]=4 2593 B12R1.1 CCCCOc1ccc(cn1)F 34a_100000742473_100000210210 [0,1,0,1,0,0|2,0,0]=4 2594 B12R1.1 CCCCOc1ccc(cn1)N 34a_100000729260_100000210210 [0,1,0,1,0,0|2,0,0]=4 2595 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000210211_100000752885 [0,1,0,1,0,0|2,0,0]=4 2596 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000752885_100000210210 [0,1,0,1,0,0|2,0,0]=4 2597 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000186775_100000210210 [0,1,0,1,0,0|2,0,0]=4 2598 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000210211_100000186775 [0,1,0,1,0,0|2,0,0]=4 2599 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000210211_100000755918 [0,1,0,1,0,0|2,0,0]=4 2600 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000755918_100000210210 [0,1,0,1,0,0|2,0,0]=4 2601 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000210211_100000211213 [0,1,0,1,0,0|2,0,0]=4 2602 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000211213_100000210210 [0,1,0,1,0,0|2,0,0]=4 2603 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000185761_100000210210 [0,1,0,1,0,0|2,0,0]=4 2604 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000210211_100000185761 [0,1,0,1,0,0|2,0,0]=4 2605 B12R1.1 CCCCSc1ccc(cc1)O 62a_100000210211_100000185759 [0,1,0,1,0,0|2,0,0]=4 2606 B12R1.1 CCCCSc1ccc(cn1)Br 62a_100000210211_100000686858 [0,1,0,1,0,0|2,0,0]=4 2607 B12R1.1 CCCCSc1ccc(cn1)Br 62a_100000686858_100000210210 [0,1,0,1,0,0|2,0,0]=4 2608 B12R1.1 CCCCSc1ccc(cn1)C 62a_100000210211_100000754016 [0,1,0,1,0,0|2,0,0]=4 2609 B12R1.1 CCCCSc1ccc(cn1)C 62a_100011192072_100000210210 [0,1,0,1,0,0|2,0,0]=4 2610 B12R1.1 CCCCSc1ccc(cn1)Cl 62a_100000210211_100011356976 [0,1,0,1,0,0|2,0,0]=4 2611 B12R1.1 CCCCSc1ccc(cn1)Cl 62a_100011356976_100000210210 [0,1,0,1,0,0|2,0,0]=4 2612 B12R1.1 CCCCSc1ccc(cn1)F 62a_100000210211_100000744514 [0,1,0,1,0,0|2,0,0]=4 2613 B12R1.1 CCCCSc1ccc(cn1)F 62a_100000744514_100000210210 [0,1,0,1,0,0|2,0,0]=4 2614 B12R1.1 CCCCSc1ccc(cn1)N 62a_100000210211_100000737798 [0,1,0,1,0,0|2,0,0]=4 2615 B12R1.1 CCCCSc1ccc(cn1)N 62a_100000737798_100000210210 [0,1,0,1,0,0|2,0,0]=4 2616 B12R1.1 CCCCSc1ccc(cn1)O 62a_100000210211_100000744096 [0,1,0,1,0,0|2,0,0]=4 2617 B12R1.1 CCCCSc1ccc(cn1)O 62a_100000685995_100000210210 [0,1,0,1,0,0|2,0,0]=4 2618 B12R1.1 CCCNCc1ccc(cc1)Br 207a_100020643023_100000186029 [0,1,0,1,0,0|2,0,0]=4 2619 B12R1.1 CCCNCc1ccc(cc1)Br 2230a_100000174875_100000210303 [0,1,0,1,0,0|2,0,0]=4 2620 B12R1.1 CCCNCc1ccc(cc1)Br 270004a_100020643023_100000186029 [0,1,0,1,0,0|2,0,0]=4 2621 B12R1.1 CCCNCc1ccc(cc1)Br 34a_100000174875_100000210303 [0,1,0,1,0,0|2,0,0]=4 2622 B12R1.1 CCCNCc1ccc(cc1)C 207a_100020643023_100000211033 [0,1,0,1,0,0|2,0,0]=4 2623 B12R1.1 CCCNCc1ccc(cc1)C 2230a_100000174908_100000210303 [0,1,0,1,0,0|2,0,0]=4 2624 B12R1.1 CCCNCc1ccc(cc1)C 270004a_100020643023_100000211033 [0,1,0,1,0,0|2,0,0]=4 2625 B12R1.1 CCCNCc1ccc(cc1)C 34a_100000174908_100000210303 [0,1,0,1,0,0|2,0,0]=4 2626 B12R1.1 CCCNCc1ccc(cc1)Cl 207a_100020643023_100000189385 [0,1,0,1,0,0|2,0,0]=4 2627 B12R1.1 CCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210303 [0,1,0,1,0,0|2,0,0]=4 2628 B12R1.1 CCCNCc1ccc(cc1)Cl 270004a_100020643023_100000189385 [0,1,0,1,0,0|2,0,0]=4 2629 B12R1.1 CCCNCc1ccc(cc1)Cl 34a_100000174871_100000210303 [0,1,0,1,0,0|2,0,0]=4 2630 B12R1.1 CCCNCc1ccc(cc1)F 207a_100020643023_100000210084 [0,1,0,1,0,0|2,0,0]=4 2631 B12R1.1 CCCNCc1ccc(cc1)F 2230a_100000174882_100000210303 [0,1,0,1,0,0|2,0,0]=4 2632 B12R1.1 CCCNCc1ccc(cc1)F 270004a_100020643023_100000210084 [0,1,0,1,0,0|2,0,0]=4 2633 B12R1.1 CCCNCc1ccc(cc1)F 34a_100000174882_100000210303 [0,1,0,1,0,0|2,0,0]=4 2634 B12R1.1 CCCNCc1ccc(cc1)I 207a_100020643023_100000188517 [0,1,0,1,0,0|2,0,0]=4 2635 B12R1.1 CCCNCc1ccc(cc1)I 2230a_100016989417_100000210303 [0,1,0,1,0,0|2,0,0]=4 2636 B12R1.1 CCCNCc1ccc(cc1)I 34a_100016989417_100000210303 [0,1,0,1,0,0|2,0,0]=4 2637 B12R1.1 CCCNCc1ccc(cc1)O 34a_100000185549_100000210303 [0,1,0,1,0,0|2,0,0]=4 2638 B12R1.1 CCCNCc1ccc(cn1)Br 207a_100020643023_100000754260 [0,1,0,1,0,0|2,0,0]=4 2639 B12R1.1 CCCNCc1ccc(cn1)Br 270004a_100020643023_100000754260 [0,1,0,1,0,0|2,0,0]=4 2640 B12R1.1 CCCNCc1ccc(cn1)Br 34a_100015188789_100000210303 [0,1,0,1,0,0|2,0,0]=4 2641 B12R1.1 CCCNCc1ccc(cn1)C 207a_100020643023_100000050478 [0,1,0,1,0,0|2,0,0]=4 2642 B12R1.1 CCCNCc1ccc(cn1)C 270004a_100020643023_100000050478 [0,1,0,1,0,0|2,0,0]=4 2643 B12R1.1 CCCNCc1ccc(cn1)C 34a_100015187455_100000210303 [0,1,0,1,0,0|2,0,0]=4 2644 B12R1.1 CCCNCc1ccc(cn1)Cl 207a_100020643023_100011361569 [0,1,0,1,0,0|2,0,0]=4 2645 B12R1.1 CCCNCc1ccc(cn1)Cl 270004a_100020643023_100011361569 [0,1,0,1,0,0|2,0,0]=4 2646 B12R1.1 CCCNCc1ccc(cn1)Cl 34a_100000697193_100000210303 [0,1,0,1,0,0|2,0,0]=4 2647 B12R1.1 CCCNCc1ccc(cn1)F 207a_100020643023_100011934744 [0,1,0,1,0,0|2,0,0]=4 2648 B12R1.1 CCCNCc1ccc(cn1)F 270004a_100020643023_100011934744 [0,1,0,1,0,0|2,0,0]=4 2649 B12R1.1 CCCNCc1ccc(cn1)F 34a_100020620131_100000210303 [0,1,0,1,0,0|2,0,0]=4 2650 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000210258_100000189115 [0,1,0,1,0,0|2,0,0]=4 2651 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000695286_100000210303 [0,1,0,1,0,0|2,0,0]=4 2652 B12R1.1 CCCOCc1ccc(cc1)C 34a_100000210258_100000210814 [0,1,0,1,0,0|2,0,0]=4 2653 B12R1.1 CCCOCc1ccc(cc1)C 34a_100011215236_100000210303 [0,1,0,1,0,0|2,0,0]=4 2654 B12R1.1 CCCOCc1ccc(cc1)C 7a_100011215236_100000210303 [0,1,0,1,0,0|2,0,0]=4 2655 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000210258_100000694040 [0,1,0,1,0,0|2,0,0]=4 2656 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000211118_100000210303 [0,1,0,1,0,0|2,0,0]=4 2657 B12R1.1 CCCOCc1ccc(cc1)Cl 7a_100000211118_100000210303 [0,1,0,1,0,0|2,0,0]=4 2658 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210258_100000198546 [0,1,0,1,0,0|2,0,0]=4 2659 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210977_100000210303 [0,1,0,1,0,0|2,0,0]=4 2660 B12R1.1 CCCOCc1ccc(cc1)F 7a_100000210977_100000210303 [0,1,0,1,0,0|2,0,0]=4 2661 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000210258_100000189116 [0,1,0,1,0,0|2,0,0]=4 2662 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000690907_100000210303 [0,1,0,1,0,0|2,0,0]=4 2663 B12R1.1 CCCOCc1ccc(cc1)I 7a_100000690907_100000210303 [0,1,0,1,0,0|2,0,0]=4 2664 B12R1.1 CCCOCc1ccc(cc1)N 34a_100011215238_100000210303 [0,1,0,1,0,0|2,0,0]=4 2665 B12R1.1 CCCOCc1ccc(cn1)Br 34a_100000210258_100000702658 [0,1,0,1,0,0|2,0,0]=4 2666 B12R1.1 CCCOCc1ccc(cn1)Br 34a_100000754261_100000210303 [0,1,0,1,0,0|2,0,0]=4 2667 B12R1.1 CCCOCc1ccc(cn1)C 34a_100000210258_100000691093 [0,1,0,1,0,0|2,0,0]=4 2668 B12R1.1 CCCOCc1ccc(cn1)C 34a_100012001401_100000210303 [0,1,0,1,0,0|2,0,0]=4 2669 B12R1.1 CCCOCc1ccc(cn1)Cl 34a_100000210258_100012066911 [0,1,0,1,0,0|2,0,0]=4 2670 B12R1.1 CCCOCc1ccc(cn1)Cl 34a_100000703999_100000210303 [0,1,0,1,0,0|2,0,0]=4 2671 B12R1.1 CCCOCc1ccc(cn1)F 34a_100000210258_100000703193 [0,1,0,1,0,0|2,0,0]=4 2672 B12R1.1 CCCOCc1ccc(cn1)F 34a_100011999454_100000210303 [0,1,0,1,0,0|2,0,0]=4 2673 B12R1.1 CCCOCc1ccc(cn1)N 34a_100011998161_100000210303 [0,1,0,1,0,0|2,0,0]=4 2674 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000189115_100000210303 [0,1,0,1,0,0|2,0,0]=4 2675 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000210303_100000189115 [0,1,0,1,0,0|2,0,0]=4 2676 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210303_100000210814 [0,1,0,1,0,0|2,0,0]=4 2677 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210814_100000210303 [0,1,0,1,0,0|2,0,0]=4 2678 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000187161_100000210303 [0,1,0,1,0,0|2,0,0]=4 2679 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000210303_100000187161 [0,1,0,1,0,0|2,0,0]=4 2680 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000198546_100000210303 [0,1,0,1,0,0|2,0,0]=4 2681 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000210303_100000187164 [0,1,0,1,0,0|2,0,0]=4 2682 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000189116_100000210303 [0,1,0,1,0,0|2,0,0]=4 2683 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000210303_100000189116 [0,1,0,1,0,0|2,0,0]=4 2684 B12R1.1 CCCSCc1ccc(cn1)Br 62a_100000210303_100000702658 [0,1,0,1,0,0|2,0,0]=4 2685 B12R1.1 CCCSCc1ccc(cn1)Br 62a_100000702658_100000210303 [0,1,0,1,0,0|2,0,0]=4 2686 B12R1.1 CCCSCc1ccc(cn1)C 62a_100000210303_100000691093 [0,1,0,1,0,0|2,0,0]=4 2687 B12R1.1 CCCSCc1ccc(cn1)C 62a_100000691093_100000210303 [0,1,0,1,0,0|2,0,0]=4 2688 B12R1.1 CCCSCc1ccc(cn1)Cl 62a_100000210303_100000697101 [0,1,0,1,0,0|2,0,0]=4 2689 B12R1.1 CCCSCc1ccc(cn1)Cl 62a_100012066911_100000210303 [0,1,0,1,0,0|2,0,0]=4 2690 B12R1.1 CCCSCc1ccc(cn1)F 62a_100000210303_100000703193 [0,1,0,1,0,0|2,0,0]=4 2691 B12R1.1 CCCSCc1ccc(cn1)F 62a_100000703193_100000210303 [0,1,0,1,0,0|2,0,0]=4 2692 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100000755846_100000210202 [0,1,0,1,0,0|2,0,0]=4 2693 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100015525214_100011740612 [0,1,0,1,0,0|2,0,0]=4 2694 B12R1.1 CCNCCc1ccc(cc1)Br 34a_100000755846_100000210202 [0,1,0,1,0,0|2,0,0]=4 2695 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100000705350_100000210202 [0,1,0,1,0,0|2,0,0]=4 2696 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100015525214_100011713686 [0,1,0,1,0,0|2,0,0]=4 2697 B12R1.1 CCNCCc1ccc(cc1)C 34a_100000705350_100000210202 [0,1,0,1,0,0|2,0,0]=4 2698 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210202 [0,1,0,1,0,0|2,0,0]=4 2699 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100015525214_100011713675 [0,1,0,1,0,0|2,0,0]=4 2700 B12R1.1 CCNCCc1ccc(cc1)Cl 34a_100000185265_100000210202 [0,1,0,1,0,0|2,0,0]=4 2701 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100000199005_100000210202 [0,1,0,1,0,0|2,0,0]=4 2702 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100015525214_100011217392 [0,1,0,1,0,0|2,0,0]=4 2703 B12R1.1 CCNCCc1ccc(cc1)F 34a_100000199005_100000210202 [0,1,0,1,0,0|2,0,0]=4 2704 B12R1.1 CCNCCc1ccc(cc1)O 2230a_100015525214_100009816426 [0,1,0,1,0,0|2,0,0]=4 2705 B12R1.1 CCNCCc1ccc(cc1)O 34a_100000743037_100000210202 [0,1,0,1,0,0|2,0,0]=4 2706 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100000766406_100000210202 [0,1,0,1,0,0|2,0,0]=4 2707 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100121572206_100011740612 [0,1,0,1,0,0|2,0,0]=4 2708 B12R1.1 CCOCCc1ccc(cc1)Br 7a_100000766406_100000210202 [0,1,0,1,0,0|2,0,0]=4 2709 B12R1.1 CCOCCc1ccc(cc1)C 34a_100000756670_100000210202 [0,1,0,1,0,0|2,0,0]=4 2710 B12R1.1 CCOCCc1ccc(cc1)C 34a_100121572206_100011713686 [0,1,0,1,0,0|2,0,0]=4 2711 B12R1.1 CCOCCc1ccc(cc1)C 7a_100000756670_100000210202 [0,1,0,1,0,0|2,0,0]=4 2712 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100011219627_100000210202 [0,1,0,1,0,0|2,0,0]=4 2713 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100121572206_100011713675 [0,1,0,1,0,0|2,0,0]=4 2714 B12R1.1 CCOCCc1ccc(cc1)Cl 7a_100011219627_100000210202 [0,1,0,1,0,0|2,0,0]=4 2715 B12R1.1 CCOCCc1ccc(cc1)F 34a_100000754732_100000210202 [0,1,0,1,0,0|2,0,0]=4 2716 B12R1.1 CCOCCc1ccc(cc1)F 34a_100121572206_100011217392 [0,1,0,1,0,0|2,0,0]=4 2717 B12R1.1 CCOCCc1ccc(cc1)F 7a_100000754732_100000210202 [0,1,0,1,0,0|2,0,0]=4 2718 B12R1.1 CCOCCc1ccc(cc1)I 34a_100012291149_100000210202 [0,1,0,1,0,0|2,0,0]=4 2719 B12R1.1 CCOCCc1ccc(cc1)I 7a_100012291149_100000210202 [0,1,0,1,0,0|2,0,0]=4 2720 B12R1.1 CCOCCc1ccc(cc1)N 34a_100011204434_100000210202 [0,1,0,1,0,0|2,0,0]=4 2721 B12R1.1 CCOCCc1ccc(cn1)Br 34a_100012357577_100000210202 [0,1,0,1,0,0|2,0,0]=4 2722 B12R1.1 CCSCCc1ccc(cc1)Br 62a_100000210202_100011740612 [0,1,0,1,0,0|2,0,0]=4 2723 B12R1.1 CCSCCc1ccc(cc1)Br 62a_100011740612_100000210202 [0,1,0,1,0,0|2,0,0]=4 2724 B12R1.1 CCSCCc1ccc(cc1)C 62a_100000210202_100011713686 [0,1,0,1,0,0|2,0,0]=4 2725 B12R1.1 CCSCCc1ccc(cc1)C 62a_100011713686_100000210202 [0,1,0,1,0,0|2,0,0]=4 2726 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100000210202_100011713675 [0,1,0,1,0,0|2,0,0]=4 2727 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100011713675_100000210202 [0,1,0,1,0,0|2,0,0]=4 2728 B12R1.1 CCSCCc1ccc(cc1)F 62a_100000210202_100011217392 [0,1,0,1,0,0|2,0,0]=4 2729 B12R1.1 CCSCCc1ccc(cc1)F 62a_100011217392_100000210202 [0,1,0,1,0,0|2,0,0]=4 2730 B12R1.1 CCSCCc1ccc(cc1)O 62a_100000210202_100009816426 [0,1,0,1,0,0|2,0,0]=4 2731 B12R1.1 CCSCCc1ccc(cc1)O 62a_100009816426_100000210202 [0,1,0,1,0,0|2,0,0]=4 2732 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_100011297623_200000210301 [0,1,0,1,0,0|2,0,0]=4 2733 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_106832991635_100011713682 [0,1,0,1,0,0|2,0,0]=4 2734 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100011297623_200000210301 [0,1,0,1,0,0|2,0,0]=4 2735 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100102657272_100011713682 [0,1,0,1,0,0|2,0,0]=4 2736 B12R1.1 CNCCCc1ccc(cc1)Br 7a_106832991635_100011713682 [0,1,0,1,0,0|2,0,0]=4 2737 B12R1.1 CNCCCc1ccc(cc1)C 2230a_100011236272_200000210301 [0,1,0,1,0,0|2,0,0]=4 2738 B12R1.1 CNCCCc1ccc(cc1)C 34a_100011236272_200000210301 [0,1,0,1,0,0|2,0,0]=4 2739 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_100000748451_200000210301 [0,1,0,1,0,0|2,0,0]=4 2740 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_106832991635_100000759440 [0,1,0,1,0,0|2,0,0]=4 2741 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100000748451_200000210301 [0,1,0,1,0,0|2,0,0]=4 2742 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100102657272_100000759440 [0,1,0,1,0,0|2,0,0]=4 2743 B12R1.1 CNCCCc1ccc(cc1)Cl 7a_106832991635_100000759440 [0,1,0,1,0,0|2,0,0]=4 2744 B12R1.1 CNCCCc1ccc(cc1)F 2230a_100025745824_200000210301 [0,1,0,1,0,0|2,0,0]=4 2745 B12R1.1 CNCCCc1ccc(cc1)F 2230a_106832991635_200011713563 [0,1,0,1,0,0|2,0,0]=4 2746 B12R1.1 CNCCCc1ccc(cc1)F 34a_100025745824_200000210301 [0,1,0,1,0,0|2,0,0]=4 2747 B12R1.1 CNCCCc1ccc(cc1)F 34a_100102657272_200011713563 [0,1,0,1,0,0|2,0,0]=4 2748 B12R1.1 CNCCCc1ccc(cc1)F 7a_106832991635_200011713563 [0,1,0,1,0,0|2,0,0]=4 2749 B12R1.1 COCCCc1ccc(cc1)Br 34a_100011709247_200000210301 [0,1,0,1,0,0|2,0,0]=4 2750 B12R1.1 COCCCc1ccc(cc1)Br 34a_100138415774_100011713682 [0,1,0,1,0,0|2,0,0]=4 2751 B12R1.1 COCCCc1ccc(cc1)Br 7a_100011709247_200000210301 [0,1,0,1,0,0|2,0,0]=4 2752 B12R1.1 COCCCc1ccc(cc1)C 34a_100000189427_200000210301 [0,1,0,1,0,0|2,0,0]=4 2753 B12R1.1 COCCCc1ccc(cc1)C 7a_100000189427_200000210301 [0,1,0,1,0,0|2,0,0]=4 2754 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100011217485_200000210301 [0,1,0,1,0,0|2,0,0]=4 2755 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100138415774_100000759440 [0,1,0,1,0,0|2,0,0]=4 2756 B12R1.1 COCCCc1ccc(cc1)Cl 7a_100011217485_200000210301 [0,1,0,1,0,0|2,0,0]=4 2757 B12R1.1 COCCCc1ccc(cc1)F 34a_100000757351_200000210301 [0,1,0,1,0,0|2,0,0]=4 2758 B12R1.1 COCCCc1ccc(cc1)F 34a_100138415774_200011713563 [0,1,0,1,0,0|2,0,0]=4 2759 B12R1.1 COCCCc1ccc(cc1)F 7a_100000757351_200000210301 [0,1,0,1,0,0|2,0,0]=4 2760 B12R1.1 CSCCCc1ccc(cc1)Br 62a_100011713682_200000210301 [0,1,0,1,0,0|2,0,0]=4 2761 B12R1.1 CSCCCc1ccc(cc1)Br 62a_200000210301_100011713682 [0,1,0,1,0,0|2,0,0]=4 2762 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_100000759440_200000210301 [0,1,0,1,0,0|2,0,0]=4 2763 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_200000210301_100000759440 [0,1,0,1,0,0|2,0,0]=4 2764 B12R1.1 CSCCCc1ccc(cc1)F 62a_200000210301_200011713563 [0,1,0,1,0,0|2,0,0]=4 2765 B12R1.1 CSCCCc1ccc(cc1)F 62a_200011713563_200000210301 [0,1,0,1,0,0|2,0,0]=4 2766 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 2230a_100011236272_200025704644 [0,1,0,1,0,0|2,0,0]=4 2767 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 34a_100011236272_200025704644 [0,1,0,1,0,0|2,0,0]=4 2768 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 34a_100000189427_200025704644 [0,1,0,1,0,0|2,0,0]=4 2769 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 7a_100000189427_200025704644 [0,1,0,1,0,0|2,0,0]=4 2770 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 2230a_100011297623_200025704644 [0,1,0,1,0,0|2,0,0]=4 2771 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 34a_100011297623_200025704644 [0,1,0,1,0,0|2,0,0]=4 2772 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 2230a_100000748451_200025704644 [0,1,0,1,0,0|2,0,0]=4 2773 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 34a_100000748451_200025704644 [0,1,0,1,0,0|2,0,0]=4 2774 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 2230a_100025745824_200025704644 [0,1,0,1,0,0|2,0,0]=4 2775 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 34a_100025745824_200025704644 [0,1,0,1,0,0|2,0,0]=4 2776 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 34a_100011709247_200025704644 [0,1,0,1,0,0|2,0,0]=4 2777 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 7a_100011709247_200025704644 [0,1,0,1,0,0|2,0,0]=4 2778 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 34a_100011217485_200025704644 [0,1,0,1,0,0|2,0,0]=4 2779 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 7a_100011217485_200025704644 [0,1,0,1,0,0|2,0,0]=4 2780 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 34a_100000757351_200025704644 [0,1,0,1,0,0|2,0,0]=4 2781 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 7a_100000757351_200025704644 [0,1,0,1,0,0|2,0,0]=4 2782 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_100011713682_200025704644 [0,1,0,1,0,0|2,0,0]=4 2783 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_200025704644_100011713682 [0,1,0,1,0,0|2,0,0]=4 2784 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_100000759440_200025704644 [0,1,0,1,0,0|2,0,0]=4 2785 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_200025704644_100000759440 [0,1,0,1,0,0|2,0,0]=4 2786 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200011713563_200025704644 [0,1,0,1,0,0|2,0,0]=4 2787 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200025704644_200011713563 [0,1,0,1,0,0|2,0,0]=4 2788 B12R1.7 CCCCC=Cc1cc(cs1)C 271570a_100016275911_100009876951 [0,1,0,1,0,0|0,1,1]=4 2789 B12R1.7 CCCCC=Cc1ccc(s1)Br 271570a_100016275911_100010197418 [0,1,0,1,0,0|0,1,1]=4 2790 B12R1.7 CCCCC=Cc1ccc(s1)C 271570a_100016275911_100000761539 [0,1,0,1,0,0|0,1,1]=4 2791 B12R1.7 CCCCCCc1ccc(s1)O 271570a_203496583355_100009817186 [0,1,0,1,0,0|0,0,2]=4 2792 B12R1.7 CCCCCSc1cc(cs1)C 62a_100000210326_100009876951 [0,1,0,1,0,0|1,1,0]=4 2793 B12R1.7 CCCCCSc1cc(cs1)C 62a_100009876951_100000210326 [0,1,0,1,0,0|1,1,0]=4 2794 B12R1.7 CCCCCSc1ccc(s1)Br 62a_100000210326_100010197418 [0,1,0,1,0,0|1,1,0]=4 2795 B12R1.7 CCCCCSc1ccc(s1)Br 62a_100010197418_100000210326 [0,1,0,1,0,0|1,1,0]=4 2796 B12R1.7 CCCCCSc1ccc(s1)C 62a_100000031368_100000210326 [0,1,0,1,0,0|1,1,0]=4 2797 B12R1.7 CCCCCSc1ccc(s1)C 62a_100000210326_100000031368 [0,1,0,1,0,0|1,1,0]=4 2798 B12R1.25 CCCCc1cccc(c1Br)O 271570a_100020621405_100010187914 [0,1,0,1,0,0|1,0,1]=4 2799 B12R1.25 CCCCc1cccc(c1C)Br 271570a_100020621405_100012353703 [0,1,0,1,0,0|1,0,1]=4 2800 B12R1.25 CCCCc1cccc(c1C)C 271570a_100020621405_100011214922 [0,1,0,1,0,0|1,0,1]=4 2801 B12R1.25 CCCCc1cccc(c1C)Cl 271570a_100020621405_100000726075 [0,1,0,1,0,0|1,0,1]=4 2802 B12R1.25 CCCCc1cccc(c1C)F 271570a_100020621405_100011216893 [0,1,0,1,0,0|1,0,1]=4 2803 B12R1.25 CCCCc1cccc(c1C)N 271570a_100020621405_100000761887 [0,1,0,1,0,0|1,0,1]=4 2804 B12R1.25 CCCCc1cccc(c1C)O 271570a_100020621405_100012002258 [0,1,0,1,0,0|1,0,1]=4 2805 B12R1.25 CCCCc1cccc(c1Cl)Br 271570a_100020621405_100010142854 [0,1,0,1,0,0|1,0,1]=4 2806 B12R1.25 CCCCc1cccc(c1Cl)C 271570a_100020621405_200012352035 [0,1,0,1,0,0|1,0,1]=4 2807 B12R1.25 CCCCc1cccc(c1Cl)Cl 271570a_100020621405_100011215384 [0,1,0,1,0,0|1,0,1]=4 2808 B12R1.25 CCCCc1cccc(c1Cl)F 271570a_100020621405_200010234923 [0,1,0,1,0,0|1,0,1]=4 2809 B12R1.25 CCCCc1cccc(c1Cl)O 271570a_100020621405_100000049636 [0,1,0,1,0,0|1,0,1]=4 2810 B12R1.25 CCCCc1cccc(c1F)Br 271570a_100020621405_100000702267 [0,1,0,1,0,0|1,0,1]=4 2811 B12R1.25 CCCCc1cccc(c1F)C 271570a_100020621405_100000717567 [0,1,0,1,0,0|1,0,1]=4 2812 B12R1.25 CCCCc1cccc(c1F)Cl 271570a_100020621405_100011217346 [0,1,0,1,0,0|1,0,1]=4 2813 B12R1.25 CCCCc1cccc(c1F)F 271570a_100020621405_100000694657 [0,1,0,1,0,0|1,0,1]=4 2814 B12R1.25 CCCCc1cccc(c1F)N 271570a_100020621405_100011935091 [0,1,0,1,0,0|1,0,1]=4 2815 B12R1.25 CCCCc1cccc(c1F)O 271570a_100020621405_100009817021 [0,1,0,1,0,0|1,0,1]=4 2816 B12R1.25 CCCCc1cccc(c1N)Br 271570a_100020621405_100010146558 [0,1,0,1,0,0|1,0,1]=4 2817 B12R1.25 CCCCc1cccc(c1N)C 271570a_100020621405_100011834072 [0,1,0,1,0,0|1,0,1]=4 2818 B12R1.25 CCCCc1cccc(c1N)Cl 271570a_100020621405_100010190421 [0,1,0,1,0,0|1,0,1]=4 2819 B12R1.25 CCCCc1cccc(c1N)F 271570a_100020621405_100000042321 [0,1,0,1,0,0|1,0,1]=4 2820 B12R1.25 CCCCc1cccc(c1N)N 271570a_100020621405_100015191791 [0,1,0,1,0,0|1,0,1]=4 2821 B12R1.25 CCCCc1cccc(c1N)O 271570a_100020621405_100011934926 [0,1,0,1,0,0|1,0,1]=4 2822 B12R1.25 CCCCc1cccc(c1O)Br 271570a_100020621405_100010084509 [0,1,0,1,0,0|0,0,2]=4 2823 B12R1.25 CCCCc1cccc(c1O)C 271570a_100020621405_100009817157 [0,1,0,1,0,0|0,0,2]=4 2824 B12R1.25 CCCCc1cccc(c1O)Cl 271570a_100020621405_100010202889 [0,1,0,1,0,0|0,0,2]=4 2825 B12R1.25 CCCCc1cccc(c1O)F 271570a_100020621405_100009813666 [0,1,0,1,0,0|0,0,2]=4 2826 B12R1.25 CCCCc1cccc(c1O)N 271570a_100020621405_100011934915 [0,1,0,1,0,0|0,0,2]=4 2827 B12R1.25 CCCCc1cccc(c1O)O 271570a_100020621405_100009815950 [0,1,0,1,0,0|0,0,2]=4 2828 B12R1.25 CCCCc1cccn(c1=O)C 271570a_100020621405_100000687173 [0,1,0,1,0,0|1,0,1]=4 2829 B12R1.27 CC(CCc1ccccc1)N[13CH3] 2230a_100000210798_200025704644 [0,1,0,1,0,0|2,0,0]=4 2830 B12R1.27 CC(CCc1ccccc1)N[13CH3] 34a_100000210798_200025704644 [0,1,0,1,0,0|2,0,0]=4 2831 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,1,0,1,0,0|1,0,1]=4 2832 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,1,0,1,0,0|1,0,1]=4 2833 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [0,1,0,1,0,0|1,0,1]=4 2834 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [0,1,0,1,0,0|1,0,1]=4 2835 B12R1.27 CCC(C)CNc1ccccc1 34a_100000106764_100000748023 [0,1,0,1,0,0|2,0,0]=4 2836 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [0,1,0,1,0,0|2,0,0]=4 2837 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [0,1,0,1,0,0|2,0,0]=4 2838 B12R1.27 CCC(C)CSc1ccccc1 62a_100000719477_100000748023 [0,1,0,1,0,0|2,0,0]=4 2839 B12R1.27 CCC(C)CSc1ccccc1 62a_100000748023_100000041952 [0,1,0,1,0,0|2,0,0]=4 2840 B12R1.27 CCC(C)CSc1ccccn1 62a_100000748023_100011216584 [0,1,0,1,0,0|2,0,0]=4 2841 B12R1.27 CCC(C)CSc1ccccn1 62a_100011216584_100000748023 [0,1,0,1,0,0|2,0,0]=4 2842 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [0,1,0,1,0,0|2,0,0]=4 2843 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [0,1,0,1,0,0|2,0,0]=4 2844 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [0,1,0,1,0,0|2,0,0]=4 2845 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [0,1,0,1,0,0|2,0,0]=4 2846 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [0,1,0,1,0,0|2,0,0]=4 2847 B12R1.27 CCC(C)NCc1ccccn1 207a_100000209981_100000209966 [0,1,0,1,0,0|2,0,0]=4 2848 B12R1.27 CCC(C)NCc1ccccn1 2230a_100000209981_100000721315 [0,1,0,1,0,0|2,0,0]=4 2849 B12R1.27 CCC(C)NCc1ccccn1 270004a_100000209981_100000209966 [0,1,0,1,0,0|2,0,0]=4 2850 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,1,0,1,0,0|2,0,0]=4 2851 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,1,0,1,0,0|2,0,0]=4 2852 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,1,0,1,0,0|2,0,0]=4 2853 B12R1.27 CCC(C)OCc1ccccn1 7a_100000210228_100000721315 [0,1,0,1,0,0|2,0,0]=4 2854 B12R1.27 CCC(C)SCc1ccccc1 62a_100000211182_100000758301 [0,1,0,1,0,0|2,0,0]=4 2855 B12R1.27 CCC(C)SCc1ccccc1 62a_100000758301_100015291786 [0,1,0,1,0,0|2,0,0]=4 2856 B12R1.27 CCC(C)SCc1ccccn1 62a_100000721315_100000758301 [0,1,0,1,0,0|2,0,0]=4 2857 B12R1.27 CCC(C)SCc1ccccn1 62a_100000758301_100000721315 [0,1,0,1,0,0|2,0,0]=4 2858 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [0,1,0,1,0,0|2,0,0]=4 2859 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [0,1,0,1,0,0|2,0,0]=4 2860 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [0,1,0,1,0,0|2,0,0]=4 2861 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [0,1,0,1,0,0|2,0,0]=4 2862 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [0,1,0,1,0,0|2,0,0]=4 2863 B12R1.27 CCC(O)CSc1ccccn1 62a_100011216584_100011218378 [0,1,0,1,0,0|2,0,0]=4 2864 B12R1.27 CCC(O)CSc1ccccn1 62a_100011218378_100011216584 [0,1,0,1,0,0|2,0,0]=4 2865 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000207497_100000210202 [0,1,0,1,0,0|2,0,0]=4 2866 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000225621_100000765856 [0,1,0,1,0,0|2,0,0]=4 2867 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000741020_200000210301 [0,1,0,1,0,0|2,0,0]=4 2868 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000207497_100000204670 [0,1,0,1,0,0|2,0,0]=4 2869 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000225621_100000765856 [0,1,0,1,0,0|2,0,0]=4 2870 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000741020_200000210301 [0,1,0,1,0,0|2,0,0]=4 2871 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000225621_100015183660 [0,1,0,1,0,0|2,0,0]=4 2872 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000227201_200000210301 [0,1,0,1,0,0|2,0,0]=4 2873 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000737206_100000210202 [0,1,0,1,0,0|2,0,0]=4 2874 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000225621_100015183660 [0,1,0,1,0,0|2,0,0]=4 2875 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000227201_200000210301 [0,1,0,1,0,0|2,0,0]=4 2876 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000737206_100000204670 [0,1,0,1,0,0|2,0,0]=4 2877 B12R1.27 CCN([13CH3])CCc1ccccc1 2230a_100000741020_200025704644 [0,1,0,1,0,0|2,0,0]=4 2878 B12R1.27 CCN([13CH3])CCc1ccccc1 269982a_100000741020_200025704644 [0,1,0,1,0,0|2,0,0]=4 2879 B12R1.27 CCN([13CH3])CCc1ccccn1 2230a_100000227201_200025704644 [0,1,0,1,0,0|2,0,0]=4 2880 B12R1.27 CCN([13CH3])CCc1ccccn1 269982a_100000227201_200025704644 [0,1,0,1,0,0|2,0,0]=4 2881 B12R1.27 CC[C@H](C)CNc1ccccc1 34a_100000106764_100009816398 [0,1,0,1,0,0|2,0,0]=4 2882 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [0,1,0,1,0,0|2,0,0]=4 2883 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [0,1,0,1,0,0|2,0,0]=4 2884 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100000719477_100009816398 [0,1,0,1,0,0|2,0,0]=4 2885 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100009816398_100000041952 [0,1,0,1,0,0|2,0,0]=4 2886 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100009816398_100011216584 [0,1,0,1,0,0|2,0,0]=4 2887 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100011216584_100009816398 [0,1,0,1,0,0|2,0,0]=4 2888 B12R1.27 CNC(C)CCc1ccccc1 2230a_100000210798_200000210301 [0,1,0,1,0,0|2,0,0]=4 2889 B12R1.27 CNC(C)CCc1ccccc1 270004a_106832991635_100000210092 [0,1,0,1,0,0|2,0,0]=4 2890 B12R1.27 CNC(C)CCc1ccccc1 34a_100000210798_200000210301 [0,1,0,1,0,0|2,0,0]=4 2891 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,1,0,1,0,0|2,0,0]=4 2892 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,1,0,1,0,0|2,0,0]=4 2893 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,1,0,1,0,0|2,0,0]=4 2894 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,1,0,1,0,0|2,0,0]=4 2895 B12R1.371 CCC(=O)Cn1ccccc1=O 1458a_100000189665_100000210202 [0,1,0,1,0,0|1,0,1]=4 2896 B12R1.382 C=Cc1cccc(c1)CCCC 271570a_100011290941_200010244551 [0,1,0,1,0,0|1,0,1]=4 2897 B12R1.382 CCCCc1cc(ccn1)C=O 271570a_100020621405_100011290808 [0,1,0,1,0,0|1,0,1]=4 2898 B12R1.382 CCCCc1cccc(c1)C=O 271570a_100020621405_100000014684 [0,1,0,1,0,0|0,0,1]=3 2899 B12R1.382 CCCCc1cccc(n1)C=O 271570a_100020621405_100000688028 [0,1,0,1,0,0|0,0,1]=3 2900 B12R1.382 CCCCc1ccnc(c1)C=O 271570a_100020621405_100011998288 [0,1,0,1,0,0|1,0,1]=4 2901 B12R1.382 CCCCc1cncc(c1)C=O 271570a_100020621405_100000687066 [0,1,0,1,0,0|1,0,1]=4 2902 B12R1.382 CCCSc1cccc(c1)C=O 62a_100000014684_100000210303 [0,1,0,1,0,0|1,0,1]=4 2903 B12R1.382 CCCSc1cccc(c1)C=O 62a_100000210303_100000014684 [0,1,0,1,0,0|1,0,1]=4 2904 B12R1.382 CCCSc1cccc(n1)C=O 62a_100000210303_100000688028 [0,1,0,1,0,0|1,0,1]=4 2905 B12R1.382 CCCSc1cccc(n1)C=O 62a_100000688028_100000210303 [0,1,0,1,0,0|1,0,1]=4 2906 B12R1.382 CCNCc1cccc(c1)C=O 2230a_100015525214_100009816774 [0,1,0,1,0,0|1,0,1]=4 2907 B12R1.382 CCOCc1cccc(c1)C=O 34a_100121572206_100009816774 [0,1,0,1,0,0|1,0,1]=4 2908 B12R1.382 CCSCc1cccc(c1)C=O 62a_100000210202_100009816774 [0,1,0,1,0,0|1,0,1]=4 2909 B12R1.382 CCSCc1cccc(c1)C=O 62a_100009816774_100000210202 [0,1,0,1,0,0|1,0,1]=4 2910 B12R1.455 CCCC=Cc1ccc(o1)C=O 271570a_100016258520_100000185145 [0,1,0,1,0,0|0,0,2]=4 2911 B12R1.455 CCCC=Cc1ccc(s1)C=O 271570a_100016258520_100000179771 [0,1,0,1,0,0|0,0,2]=4 2912 B12R1.455 CCCCNc1ncc(s1)C=O 27a_100000102301_100009814069 [0,1,0,1,0,0|2,0,0]=4 2913 B12R1.455 CCCCSc1c[nH]c(c1)C=O 62a_100000210211_100000720742 [0,1,0,1,0,0|2,0,0]=4 2914 B12R1.455 CCCCSc1c[nH]c(c1)C=O 62a_100000720742_100000210210 [0,1,0,1,0,0|2,0,0]=4 2915 B12R1.455 CCCCSc1cc(c[nH]1)C=O 62a_100000210211_100009882863 [0,1,0,1,0,0|2,0,0]=4 2916 B12R1.455 CCCCSc1cc(c[nH]1)C=O 62a_100009882863_100000210210 [0,1,0,1,0,0|2,0,0]=4 2917 B12R1.455 CCCCSc1cc(cs1)C=O 62a_100000210211_100000737087 [0,1,0,1,0,0|2,0,0]=4 2918 B12R1.455 CCCCSc1cc(cs1)C=O 62a_100000737087_100000210210 [0,1,0,1,0,0|2,0,0]=4 2919 B12R1.455 CCCCSc1ccc([nH]1)C=O 62a_100000210211_100009875417 [0,1,0,1,0,0|1,0,0]=3 2920 B12R1.455 CCCCSc1ccc(o1)C=O 62a_100000210211_100000186757 [0,1,0,1,0,0|1,0,0]=3 2921 B12R1.455 CCCCSc1ccc(s1)C=O 62a_100000179771_100000210210 [0,1,0,1,0,0|1,0,0]=3 2922 B12R1.455 CCCCSc1ccc(s1)C=O 62a_100000210211_100000179771 [0,1,0,1,0,0|1,0,0]=3 2923 B12R1.455 CCCCSc1cnc(s1)C=O 62a_100000210211_100000699580 [0,1,0,1,0,0|2,0,0]=4 2924 B12R1.455 CCCCSc1cnc(s1)C=O 62a_100000699580_100000210210 [0,1,0,1,0,0|2,0,0]=4 2925 B12R1.455 CCCCSc1coc(c1)C=O 62a_100000210211_100000747035 [0,1,0,1,0,0|2,0,0]=4 2926 B12R1.455 CCCCSc1coc(c1)C=O 62a_100000747035_100000210210 [0,1,0,1,0,0|2,0,0]=4 2927 B12R1.455 CCCCSc1csc(c1)C=O 62a_100000210211_100000211722 [0,1,0,1,0,0|2,0,0]=4 2928 B12R1.455 CCCCSc1csc(c1)C=O 62a_100000211722_100000210210 [0,1,0,1,0,0|2,0,0]=4 2929 B12R1.455 CCCCSc1csc(n1)C=O 62a_100000210211_100009816814 [0,1,0,1,0,0|2,0,0]=4 2930 B12R1.455 CCCCSc1csc(n1)C=O 62a_100009816814_100000210210 [0,1,0,1,0,0|2,0,0]=4 2931 B12R1.455 CCCCSc1nc(cs1)C=O 62a_100000210211_100009816748 [0,1,0,1,0,0|2,0,0]=4 2932 B12R1.455 CCCCSc1nc(cs1)C=O 62a_100009816748_100000210210 [0,1,0,1,0,0|2,0,0]=4 2933 B12R1.455 CCCCSc1ncc(s1)C=O 62a_100000210211_100009814069 [0,1,0,1,0,0|2,0,0]=4 2934 B12R1.455 CCCCSc1ncc(s1)C=O 62a_100009814069_100000210210 [0,1,0,1,0,0|2,0,0]=4 2935 B12R1.455 CCCOCc1ccc(o1)C=O 34a_100000210258_200000079136 [0,1,0,1,0,0|1,0,0]=3 2936 B12R1.455 CCCOCc1csc(c1)C=O 34a_100000210258_100000070824 [0,1,0,1,0,0|2,0,0]=4 2937 B12R1.455 CCCSCc1ccc(o1)C=O 62a_100000210303_200000079136 [0,1,0,1,0,0|1,0,0]=3 2938 B12R1.455 CCCSCc1csc(c1)C=O 62a_100000070824_100000210303 [0,1,0,1,0,0|2,0,0]=4 2939 B12R1.455 CCCSCc1csc(c1)C=O 62a_100000210303_100000070824 [0,1,0,1,0,0|2,0,0]=4 2940 B12R1.455 CCOCSc1ccc([nH]1)C=O 62a_100000739092_100009875417 [0,1,0,1,0,0|2,0,0]=4 2941 B12R1.455 CCOCSc1ccc(o1)C=O 62a_100000739092_100000186757 [0,1,0,1,0,0|2,0,0]=4 2942 B12R1.455 CCOCSc1ccc(s1)C=O 62a_100000179771_100000739092 [0,1,0,1,0,0|2,0,0]=4 2943 B12R1.455 CCOCSc1ccc(s1)C=O 62a_100000739092_100000179771 [0,1,0,1,0,0|2,0,0]=4 2944 B12R1.455 COCCSc1ccc([nH]1)C=O 62a_100000233755_100009875417 [0,1,0,1,0,0|2,0,0]=4 2945 B12R1.455 COCCSc1ccc(o1)C=O 62a_100000233755_100000186757 [0,1,0,1,0,0|2,0,0]=4 2946 B12R1.455 COCCSc1ccc(s1)C=O 62a_100000179771_100000233755 [0,1,0,1,0,0|2,0,0]=4 2947 B12R1.455 COCCSc1ccc(s1)C=O 62a_100000233755_100000179771 [0,1,0,1,0,0|2,0,0]=4 2948 B12R1.455 COCSCc1ccc(o1)C=O 62a_100000766300_200000079136 [0,1,0,1,0,0|2,0,0]=4 2949 B12R1.455 CSCCSc1ccc([nH]1)C=O 62a_100000212216_100009875417 [0,1,0,1,0,0|2,0,0]=4 2950 B12R1.455 CSCCSc1ccc(o1)C=O 62a_100000212216_100000186757 [0,1,0,1,0,0|2,0,0]=4 2951 B12R1.455 CSCCSc1ccc(s1)C=O 62a_100000179771_100000751147 [0,1,0,1,0,0|2,0,0]=4 2952 B12R1.455 CSCCSc1ccc(s1)C=O 62a_100000212216_100000179771 [0,1,0,1,0,0|2,0,0]=4 2953 B12R1.455 CSCSCc1ccc(o1)C=O 62a_100011218213_200000079136 [0,1,0,1,0,0|2,0,0]=4 2954 B12R1.455 NCCOCc1ccc(o1)C=O 34a_100000210304_200000079136 [0,1,0,1,0,0|2,0,0]=4 2955 B12R1.455 O=Cc1ccc([nH]1)SCCCF 62a_100011934791_100009875417 [0,1,0,1,0,0|2,0,0]=4 2956 B12R1.455 O=Cc1ccc([nH]1)SCCCO 62a_100011215043_100009875417 [0,1,0,1,0,0|2,0,0]=4 2957 B12R1.455 O=Cc1ccc(o1)CNCCF 34a_100000724931_200000079136 [0,1,0,1,0,0|2,0,0]=4 2958 B12R1.455 O=Cc1ccc(o1)CNCCO 2230a_100016997473_200000079136 [0,1,0,1,0,0|2,0,0]=4 2959 B12R1.455 O=Cc1ccc(o1)CNCCO 34a_100016990907_200000079136 [0,1,0,1,0,0|2,0,0]=4 2960 B12R1.455 O=Cc1ccc(o1)COCCBr 34a_100000211926_200000079136 [0,1,0,1,0,0|2,0,0]=4 2961 B12R1.455 O=Cc1ccc(o1)CSCCF 62a_100011217306_200000079136 [0,1,0,1,0,0|2,0,0]=4 2962 B12R1.455 O=Cc1ccc(o1)CSCCO 62a_100000211926_200000079136 [0,1,0,1,0,0|2,0,0]=4 2963 B12R1.455 O=Cc1ccc(o1)SCCCF 62a_100011934791_100000186757 [0,1,0,1,0,0|2,0,0]=4 2964 B12R1.455 O=Cc1ccc(o1)SCCCO 62a_100011215043_100000186757 [0,1,0,1,0,0|2,0,0]=4 2965 B12R1.455 O=Cc1ccc(s1)SCCCF 62a_100000179771_100011934791 [0,1,0,1,0,0|2,0,0]=4 2966 B12R1.455 O=Cc1ccc(s1)SCCCF 62a_100011934791_100000179771 [0,1,0,1,0,0|2,0,0]=4 2967 B12R1.455 O=Cc1ccc(s1)SCCCO 62a_100000179771_100011215043 [0,1,0,1,0,0|2,0,0]=4 2968 B12R1.455 O=Cc1ccc(s1)SCCCO 62a_100011215043_100000179771 [0,1,0,1,0,0|2,0,0]=4 2969 B12R1.30 C=CC=CC(=O)C1CCCCC1 1458a_100016291481_100000210327 [0,1,0,1,0,0|1,0,1]=4 2970 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [0,1,0,1,0,0|1,0,1]=4 2971 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000210012_100000210211 [0,1,0,1,0,0|2,0,0]=4 2972 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000211623_200000210301 [0,1,0,1,0,0|2,0,0]=4 2973 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000210012_100000210211 [0,1,0,1,0,0|2,0,0]=4 2974 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000211623_200000210301 [0,1,0,1,0,0|2,0,0]=4 2975 B12R1.30 CCCCN(C)c1ccccc1 34a_100000210012_100000210210 [0,1,0,1,0,0|2,0,0]=4 2976 B12R1.30 CCCCN(C)c1ccccc1 34a_100000211623_200000210301 [0,1,0,1,0,0|2,0,0]=4 2977 B12R1.30 CCCCN([13CH3])c1ccccc1 2230a_100000211623_200025704644 [0,1,0,1,0,0|2,0,0]=4 2978 B12R1.30 CCCCN([13CH3])c1ccccc1 269982a_100000211623_200025704644 [0,1,0,1,0,0|2,0,0]=4 2979 B12R1.30 CCCCN([13CH3])c1ccccc1 34a_100000211623_200025704644 [0,1,0,1,0,0|2,0,0]=4 2980 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [0,1,0,1,0,0|2,0,0]=4 2981 B12R1.30 CCCNC(C)c1ccccn1 2230a_100000181244_100000210303 [0,1,0,1,0,0|2,0,0]=4 2982 B12R1.30 CCCNC(C)c1ccccn1 269862a_100020643023_100000210467 [0,1,0,1,0,0|2,0,0]=4 2983 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [0,1,0,1,0,0|2,0,0]=4 2984 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [0,1,0,1,0,0|2,0,0]=4 2985 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [0,1,0,1,0,0|2,0,0]=4 2986 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [0,1,0,1,0,0|2,0,0]=4 2987 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [0,1,0,1,0,0|2,0,0]=4 2988 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [0,1,0,1,0,0|2,0,0]=4 2989 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [0,1,0,1,0,0|2,0,0]=4 2990 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [0,1,0,1,0,0|2,0,0]=4 2991 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [0,1,0,1,0,0|2,0,0]=4 2992 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [0,1,0,1,0,0|2,0,0]=4 2993 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [0,1,0,1,0,0|2,0,0]=4 2994 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [0,1,0,1,0,0|2,0,0]=4 2995 B12R1.30 CCNCC(O)c1ccccn1 2230a_100000691469_100000210202 [0,1,0,1,0,0|2,0,0]=4 2996 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [0,1,0,1,0,0|2,0,0]=4 2997 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [0,1,0,1,0,0|2,0,0]=4 2998 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [0,1,0,1,0,0|2,0,0]=4 2999 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [0,1,0,1,0,0|2,0,0]=4 3000 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [0,1,0,1,0,0|2,0,0]=4 3001 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [0,1,0,1,0,0|2,0,0]=4 3002 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [0,1,0,1,0,0|2,0,0]=4 3003 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [0,1,0,1,0,0|2,0,0]=4 3004 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [0,1,0,1,0,0|2,0,0]=4 3005 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [0,1,0,1,0,0|2,0,0]=4 3006 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [0,1,0,1,0,0|2,0,0]=4 3007 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [0,1,0,1,0,0|2,0,0]=4 3008 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [0,1,0,1,0,0|2,0,0]=4 3009 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [0,1,0,1,0,0|2,0,0]=4 3010 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [0,1,0,1,0,0|2,0,0]=4 3011 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [0,1,0,1,0,0|2,0,0]=4 3012 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [0,1,0,1,0,0|2,0,0]=4 3013 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [0,1,0,1,0,0|2,0,0]=4 3014 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [0,1,0,1,0,0|2,0,0]=4 3015 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [0,1,0,1,0,0|2,0,0]=4 3016 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [0,1,0,1,0,0|2,0,0]=4 3017 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [0,1,0,1,0,0|2,0,0]=4 3018 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [0,1,0,1,0,0|2,0,0]=4 3019 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [0,1,0,1,0,0|2,0,0]=4 3020 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [0,1,0,1,0,0|2,0,0]=4 3021 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [0,1,0,1,0,0|2,0,0]=4 3022 B12R1.53 C=CC=CC(=O)CC1CCCC1 1458a_100016291481_100000740388 [0,1,0,1,0,0|1,0,1]=4 3023 B12R1.53 C=CC=CC(=O)NC1CCCC1 1626a_100000211070_100016291481 [0,1,0,1,0,0|2,0,0]=4 3024 B12R1.53 CCCCC(=Cc1ccco1)Br 271570a_206741709834_100009814098 [0,1,0,1,0,0|0,0,2]=4 3025 B12R1.53 CCCCC(=Cc1cccs1)Br 271570a_206741709834_100011215356 [0,1,0,1,0,0|0,1,1]=4 3026 B12R1.53 CCCCC(C)Sc1ccco1 62a_100009814098_200011215066 [0,1,0,1,0,0|1,0,1]=4 3027 B12R1.53 CCCCC(C)Sc1ccco1 62a_200011215066_100009814098 [0,1,0,1,0,0|1,0,1]=4 3028 B12R1.53 CCCCC(C)Sc1cccs1 62a_100011215356_200011215066 [0,1,0,1,0,0|1,1,0]=4 3029 B12R1.53 CCCCC(C)Sc1cccs1 62a_200011215066_100011215356 [0,1,0,1,0,0|1,1,0]=4 3030 B12R1.374 CCCCc1cc(c[nH]c1=O)F 271570a_100020621405_100009817720 [0,1,0,1,0,0|1,0,1]=4 3031 B12R1.374 CCCCc1cc(ccc1Br)Br 271570a_100020621405_100011483371 [0,1,0,1,0,0|1,0,1]=4 3032 B12R1.374 CCCCc1cc(ccc1Br)C 271570a_100020621405_100012353751 [0,1,0,1,0,0|1,0,1]=4 3033 B12R1.374 CCCCc1cc(ccc1Br)Cl 271570a_100020621405_100012339723 [0,1,0,1,0,0|1,0,1]=4 3034 B12R1.374 CCCCc1cc(ccc1Br)F 271570a_100020621405_100011217576 [0,1,0,1,0,0|1,0,1]=4 3035 B12R1.374 CCCCc1cc(ccc1Br)N 271570a_100020621405_100000750459 [0,1,0,1,0,0|1,0,1]=4 3036 B12R1.374 CCCCc1cc(ccc1Br)O 271570a_100020621405_100012339312 [0,1,0,1,0,0|1,0,1]=4 3037 B12R1.374 CCCCc1cc(ccc1C)Br 271570a_100020621405_100011344865 [0,1,0,1,0,0|1,0,1]=4 3038 B12R1.374 CCCCc1cc(ccc1C)C 271570a_100020621405_100000210833 [0,1,0,1,0,0|1,0,1]=4 3039 B12R1.374 CCCCc1cc(ccc1C)Cl 271570a_100020621405_100011263213 [0,1,0,1,0,0|1,0,1]=4 3040 B12R1.374 CCCCc1cc(ccc1C)F 271570a_100020621405_100011218078 [0,1,0,1,0,0|1,0,1]=4 3041 B12R1.374 CCCCc1cc(ccc1C)N 271570a_100020621405_100000736455 [0,1,0,1,0,0|1,0,1]=4 3042 B12R1.374 CCCCc1cc(ccc1C)O 271570a_100020621405_100011380479 [0,1,0,1,0,0|1,0,1]=4 3043 B12R1.374 CCCCc1cc(ccc1Cl)Br 271570a_100020621405_100011772130 [0,1,0,1,0,0|1,0,1]=4 3044 B12R1.374 CCCCc1cc(ccc1Cl)C 271570a_100020621405_100012356289 [0,1,0,1,0,0|1,0,1]=4 3045 B12R1.374 CCCCc1cc(ccc1Cl)Cl 271570a_100020621405_100000707729 [0,1,0,1,0,0|1,0,1]=4 3046 B12R1.374 CCCCc1cc(ccc1Cl)F 271570a_100020621405_100011217299 [0,1,0,1,0,0|1,0,1]=4 3047 B12R1.374 CCCCc1cc(ccc1Cl)N 271570a_100020621405_100012360549 [0,1,0,1,0,0|1,0,1]=4 3048 B12R1.374 CCCCc1cc(ccc1Cl)O 271570a_100020621405_100000049588 [0,1,0,1,0,0|1,0,1]=4 3049 B12R1.374 CCCCc1cc(ccc1F)Br 271570a_100020621405_100011217312 [0,1,0,1,0,0|1,0,1]=4 3050 B12R1.374 CCCCc1cc(ccc1F)C 271570a_100020621405_100000736223 [0,1,0,1,0,0|1,0,1]=4 3051 B12R1.374 CCCCc1cc(ccc1F)Cl 271570a_100020621405_100011218116 [0,1,0,1,0,0|1,0,1]=4 3052 B12R1.374 CCCCc1cc(ccc1F)F 271570a_100020621405_100000750033 [0,1,0,1,0,0|1,0,1]=4 3053 B12R1.374 CCCCc1cc(ccc1F)N 271570a_100020621405_100000760356 [0,1,0,1,0,0|1,0,1]=4 3054 B12R1.374 CCCCc1cc(ccc1F)O 271570a_100020621405_100000693481 [0,1,0,1,0,0|1,0,1]=4 3055 B12R1.374 CCCCc1cc(ccc1N)Br 271570a_100020621405_100000187925 [0,1,0,1,0,0|1,0,1]=4 3056 B12R1.374 CCCCc1cc(ccc1N)C 271570a_100020621405_100000210942 [0,1,0,1,0,0|1,0,1]=4 3057 B12R1.374 CCCCc1cc(ccc1N)Cl 271570a_100020621405_100000761889 [0,1,0,1,0,0|1,0,1]=4 3058 B12R1.374 CCCCc1cc(ccc1N)F 271570a_100020621405_100000760547 [0,1,0,1,0,0|1,0,1]=4 3059 B12R1.374 CCCCc1cc(ccc1N)N 271570a_100020621405_100011534242 [0,1,0,1,0,0|1,0,1]=4 3060 B12R1.374 CCCCc1cc(ccc1N)O 271570a_100020621405_100012001276 [0,1,0,1,0,0|1,0,1]=4 3061 B12R1.374 CCCCc1cc(ccc1O)Br 271570a_100020621405_100012355227 [0,1,0,1,0,0|0,0,2]=4 3062 B12R1.374 CCCCc1cc(ccc1O)C 271570a_100020621405_100000765521 [0,1,0,1,0,0|0,0,2]=4 3063 B12R1.374 CCCCc1cc(ccc1O)Cl 271570a_100020621405_100011356953 [0,1,0,1,0,0|0,0,2]=4 3064 B12R1.374 CCCCc1cc(ccc1O)F 271570a_100020621405_100000211999 [0,1,0,1,0,0|0,0,2]=4 3065 B12R1.374 CCCCc1cc(ccc1O)N 271570a_100020621405_100011534360 [0,1,0,1,0,0|0,0,2]=4 3066 B12R1.374 CCCCc1cc(ccc1O)O 271570a_100020621405_100009813629 [0,1,0,1,0,0|0,0,2]=4 3067 B12R1.374 CCCCc1cn(ccc1=O)C 271570a_100020621405_100010750718 [0,1,0,1,0,0|1,0,1]=4 3068 B12R1.376 CCCCc1cc(sc1C=O)C 271570a_100020621405_100011361552 [0,1,0,1,0,0|1,0,1]=4 3069 B12R1.463 C=CC=CC(=O)NCC1CCC1 1626a_100000738700_100016291481 [0,1,0,1,0,0|2,0,0]=4 3070 B12R1.464 C=CC=CC(=O)NCCC1CC1 1626a_100000764129_100016291481 [0,1,0,1,0,0|2,0,0]=4 3071 B12R1.35 C/C=C/C=CC(=O)C1CCCC1 1458a_100000185730_100000179811 [0,1,0,1,0,0|1,0,0]=3 3072 B12R1.35 C/C=C/C=CC(=O)C1CCOC1 1458a_100000185730_100000690089 [0,1,0,1,0,0|2,0,0]=4 3073 B12R1.35 C/C=C/C=CC(=O)N1CCCC1 240690a_100000188435_100000185730 [0,1,0,1,0,0|2,0,0]=4 3074 B12R1.35 CCCSCC(=O)c1ccc[nH]1 62a_100000210303_200011262396 [0,1,0,1,0,0|2,0,0]=4 3075 B12R1.35 CCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210303 [0,1,0,1,0,0|2,0,0]=4 3076 B12R1.35 CCCSCC(=O)c1ccco1 62a_100000210303_100000211439 [0,1,0,1,0,0|1,0,1]=4 3077 B12R1.35 CCCSCC(=O)c1ccco1 62a_100000211439_100000210303 [0,1,0,1,0,0|1,0,1]=4 3078 B12R1.35 CCCSCC(=O)c1cccs1 62a_100000210303_100000211436 [0,1,0,1,0,0|1,1,0]=4 3079 B12R1.35 CCCSCC(=O)c1cccs1 62a_100000211436_100000210303 [0,1,0,1,0,0|1,1,0]=4 3080 B12R1.35 CCNCCC(=O)c1cccs1 2230a_100015525214_100011290775 [0,1,0,1,0,0|1,1,0]=4 3081 B12R1.35 CCSCCC(=O)c1cccs1 62a_100000210202_100011290775 [0,1,0,1,0,0|1,1,0]=4 3082 B12R1.35 CCSCCC(=O)c1cccs1 62a_100011290775_100000210202 [0,1,0,1,0,0|1,1,0]=4 3083 B12R1.483 C/C=C/C=CC(=O)CC1CCC1 1458a_100000185730_100000763275 [0,1,0,1,0,0|1,0,0]=3 3084 B12R1.483 C/C=C/C=CC(=O)CC1CCO1 1458a_100000185730_100000103362 [0,1,0,1,0,0|2,0,0]=4 3085 B12R1.483 C/C=C/C=CC(=O)CC1COC1 1458a_100000185730_100010264016 [0,1,0,1,0,0|2,0,0]=4 3086 B12R1.483 C/C=C/C=CC(=O)NC1CCC1 11a_100000749019_100000185730 [0,1,0,1,0,0|2,0,0]=4 3087 B12R1.483 C/C=C/C=CC(=O)NC1CCC1 1626a_100000749019_100000185730 [0,1,0,1,0,0|2,0,0]=4 3088 B12R1.483 C/C=C/C=CC(=O)NC1CCC1 240690a_100000749019_100000185730 [0,1,0,1,0,0|2,0,0]=4 3089 B12R1.484 C/C=C/C=CC(=O)CCC1CC1 1458a_100000185730_100000694398 [0,1,0,1,0,0|1,0,0]=3 3090 B12R1.484 C/C=C/C=CC(=O)CCC1CO1 1458a_100000185730_100000732470 [0,1,0,1,0,0|2,0,0]=4 3091 B12R1.484 C/C=C/C=CC(=O)NCC1CC1 11a_100000735609_100000185730 [0,1,0,1,0,0|2,0,0]=4 3092 B12R1.484 C/C=C/C=CC(=O)NCC1CC1 1626a_100000735609_100000185730 [0,1,0,1,0,0|2,0,0]=4 3093 B12R1.484 C/C=C/C=CC(=O)NCC1CC1 240690a_100000735609_100000185730 [0,1,0,1,0,0|2,0,0]=4 3094 B12R1.485 C/C=C/C=CC(=O)N1CCC1C 11a_100000755817_100000185730 [0,1,0,1,0,0|2,0,0]=4 3095 B12R1.485 C/C=C/C=CC(=O)N1CCC1C 240690a_100000755817_100000185730 [0,1,0,1,0,0|2,0,0]=4 3096 B12R1.1631 CCCCc1c(cccc1Br)Br 271570a_100020621405_100009994525 [0,1,0,1,0,0|1,0,1]=4 3097 B12R1.1631 CCCCc1c(cccc1Br)Cl 271570a_100020621405_100010214488 [0,1,0,1,0,0|1,0,1]=4 3098 B12R1.1631 CCCCc1c(cccc1Br)F 271570a_100020621405_100011219512 [0,1,0,1,0,0|1,0,1]=4 3099 B12R1.1631 CCCCc1c(cccc1Br)N 271570a_100020621405_100020590159 [0,1,0,1,0,0|1,0,1]=4 3100 B12R1.1631 CCCCc1c(cccc1Br)O 271570a_100020621405_100010187912 [0,1,0,1,0,0|0,0,2]=4 3101 B12R1.1631 CCCCc1c(cccc1C)C 271570a_100020621405_100000033847 [0,1,0,1,0,0|1,0,1]=4 3102 B12R1.1631 CCCCc1c(cccc1Cl)C 271570a_100020621405_100000043165 [0,1,0,1,0,0|1,0,1]=4 3103 B12R1.1631 CCCCc1c(cccc1Cl)Cl 271570a_100020621405_100000034237 [0,1,0,1,0,0|1,0,1]=4 3104 B12R1.1631 CCCCc1c(cccc1Cl)F 271570a_100020621405_100000050007 [0,1,0,1,0,0|1,0,1]=4 3105 B12R1.1631 CCCCc1c(cccc1Cl)N 271570a_100020621405_100000049713 [0,1,0,1,0,0|1,0,1]=4 3106 B12R1.1631 CCCCc1c(cccc1Cl)O 271570a_100020621405_100000050174 [0,1,0,1,0,0|0,0,2]=4 3107 B12R1.1631 CCCCc1c(cccc1F)C 271570a_100020621405_100012349962 [0,1,0,1,0,0|1,0,1]=4 3108 B12R1.1631 CCCCc1c(cccc1F)F 271570a_100020621405_100000693133 [0,1,0,1,0,0|1,0,1]=4 3109 B12R1.1631 CCCCc1c(cccc1F)N 271570a_100020621405_100011934729 [0,1,0,1,0,0|1,0,1]=4 3110 B12R1.1631 CCCCc1c(cccc1F)O 271570a_100020621405_100009820682 [0,1,0,1,0,0|0,0,2]=4 3111 B12R1.1631 CCCCc1c(cccc1N)C 271570a_100020621405_100000684715 [0,1,0,1,0,0|1,0,1]=4 3112 B12R1.1631 CCCCc1c(cccc1O)C 271570a_100020621405_100000686692 [0,1,0,1,0,0|0,0,2]=4 3113 B12R1.1631 CCCCc1c(cccc1O)N 271570a_100020621405_100012183704 [0,1,0,1,0,0|0,0,2]=4 3114 B12R1.1631 CCCCc1c(cccc1O)O 271570a_100020621405_100010205330 [0,1,0,1,0,0|0,0,2]=4 3115 B12R1.125 CC(=O)CCn1ccccc1=O 1458a_100000738505_200000210301 [0,1,0,1,0,0|1,0,1]=4 3116 B12R1.125 [13CH3]C(=O)CCn1ccccc1=O 1458a_100000738505_200025704644 [0,1,0,1,0,0|1,0,1]=4 3117 B12R1.252 CC(=O)C=CCN1CCCCC1 1458a_100015232380_200000210301 [0,1,0,1,0,0|1,0,1]=4 3118 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,1,0,1,0,0|1,0,1]=4 3119 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,1,0,1,0,0|1,0,1]=4 3120 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [0,1,0,1,0,0|1,0,1]=4 3121 B12R1.252 CC(Br)COCc1ccccc1 34a_100012180447_100015291786 [0,1,0,1,0,0|2,0,0]=4 3122 B12R1.252 CC(Br)COCc1ccccn1 34a_100012180447_100000721315 [0,1,0,1,0,0|2,0,0]=4 3123 B12R1.252 CC(C)CCNc1ccccc1 34a_100000106764_100000210312 [0,1,0,1,0,0|2,0,0]=4 3124 B12R1.252 CC(C)CCOc1ccccc1 34a_100000210340_100000210312 [0,1,0,1,0,0|2,0,0]=4 3125 B12R1.252 CC(C)CCOc1ccccc1 7a_100000210340_100000210626 [0,1,0,1,0,0|2,0,0]=4 3126 B12R1.252 CC(C)CCSc1ccccc1 62a_100000210312_100000041952 [0,1,0,1,0,0|2,0,0]=4 3127 B12R1.252 CC(C)CCSc1ccccc1 62a_100000719477_100000210312 [0,1,0,1,0,0|2,0,0]=4 3128 B12R1.252 CC(C)CCSc1ccccn1 62a_100000210312_100011216584 [0,1,0,1,0,0|2,0,0]=4 3129 B12R1.252 CC(C)CCSc1ccccn1 62a_100011216584_100000210312 [0,1,0,1,0,0|2,0,0]=4 3130 B12R1.252 CC(C)CNCc1ccccc1 207a_100000210953_100015611070 [0,1,0,1,0,0|2,0,0]=4 3131 B12R1.252 CC(C)CNCc1ccccc1 2230a_100000210953_100015291786 [0,1,0,1,0,0|2,0,0]=4 3132 B12R1.252 CC(C)CNCc1ccccc1 2230a_100015324214_100000210760 [0,1,0,1,0,0|2,0,0]=4 3133 B12R1.252 CC(C)CNCc1ccccc1 270004a_100000210953_100015611070 [0,1,0,1,0,0|2,0,0]=4 3134 B12R1.252 CC(C)CNCc1ccccc1 270004a_100015324214_100000210432 [0,1,0,1,0,0|2,0,0]=4 3135 B12R1.252 CC(C)CNCc1ccccc1 34a_100000210953_100015291786 [0,1,0,1,0,0|2,0,0]=4 3136 B12R1.252 CC(C)CNCc1ccccc1 34a_100015324214_100000210624 [0,1,0,1,0,0|2,0,0]=4 3137 B12R1.252 CC(C)CNCc1ccccn1 207a_100000210953_100000209966 [0,1,0,1,0,0|2,0,0]=4 3138 B12R1.252 CC(C)CNCc1ccccn1 2230a_100000210953_100000721315 [0,1,0,1,0,0|2,0,0]=4 3139 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210449_100000210432 [0,1,0,1,0,0|2,0,0]=4 3140 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210953_100000209966 [0,1,0,1,0,0|2,0,0]=4 3141 B12R1.252 CC(C)CNCc1ccccn1 34a_100000210953_100000721315 [0,1,0,1,0,0|2,0,0]=4 3142 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [0,1,0,1,0,0|2,0,0]=4 3143 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [0,1,0,1,0,0|2,0,0]=4 3144 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [0,1,0,1,0,0|2,0,0]=4 3145 B12R1.252 CC(C)COCc1ccccn1 34a_100000210257_100000721315 [0,1,0,1,0,0|2,0,0]=4 3146 B12R1.252 CC(C)CSCc1ccccc1 62a_100000210624_100015291786 [0,1,0,1,0,0|2,0,0]=4 3147 B12R1.252 CC(C)CSCc1ccccc1 62a_100000211182_100000210760 [0,1,0,1,0,0|2,0,0]=4 3148 B12R1.252 CC(C)CSCc1ccccn1 62a_100000210624_100000721315 [0,1,0,1,0,0|2,0,0]=4 3149 B12R1.252 CC(C)CSCc1ccccn1 62a_100000721315_100000210760 [0,1,0,1,0,0|2,0,0]=4 3150 B12R1.252 CC(C)NCCc1ccccc1 2230a_100000106460_100000210206 [0,1,0,1,0,0|2,0,0]=4 3151 B12R1.252 CC(C)NCCc1ccccc1 2230a_100138425928_100000765856 [0,1,0,1,0,0|2,0,0]=4 3152 B12R1.252 CC(C)NCCc1ccccc1 34a_100000106460_100000210206 [0,1,0,1,0,0|2,0,0]=4 3153 B12R1.252 CC(C)NCCc1ccccc1 34a_100138425928_100000765856 [0,1,0,1,0,0|2,0,0]=4 3154 B12R1.252 CC(C)NCCc1ccccn1 2230a_100138425928_100015183660 [0,1,0,1,0,0|2,0,0]=4 3155 B12R1.252 CC(C)OCCc1ccccc1 34a_100000210268_100000210206 [0,1,0,1,0,0|2,0,0]=4 3156 B12R1.252 CC(C)OCCc1ccccc1 34a_100000212225_100000765856 [0,1,0,1,0,0|2,0,0]=4 3157 B12R1.252 CC(C)OCCc1ccccc1 7a_100000210268_100000210206 [0,1,0,1,0,0|2,0,0]=4 3158 B12R1.252 CC(C)OCCc1ccccn1 34a_100000210271_100000210206 [0,1,0,1,0,0|2,0,0]=4 3159 B12R1.252 CC(C)SCCc1ccccc1 62a_100000210206_100011218657 [0,1,0,1,0,0|2,0,0]=4 3160 B12R1.252 CC(C)SCCc1ccccc1 62a_100000765856_100000210206 [0,1,0,1,0,0|2,0,0]=4 3161 B12R1.252 CC(C)SCCc1ccccn1 62a_100000210206_100015183660 [0,1,0,1,0,0|2,0,0]=4 3162 B12R1.252 CC(C)SCCc1ccccn1 62a_100015183660_100000210206 [0,1,0,1,0,0|2,0,0]=4 3163 B12R1.252 CC(F)COCc1ccccc1 34a_100015925927_100015291786 [0,1,0,1,0,0|2,0,0]=4 3164 B12R1.252 CC(F)COCc1ccccn1 34a_100015925927_100000721315 [0,1,0,1,0,0|2,0,0]=4 3165 B12R1.252 CC(O)CCNc1ccccc1 34a_100000106764_100012276601 [0,1,0,1,0,0|2,0,0]=4 3166 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [0,1,0,1,0,0|2,0,0]=4 3167 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [0,1,0,1,0,0|2,0,0]=4 3168 B12R1.252 CC(O)CCSc1ccccc1 62a_100000719477_100012276601 [0,1,0,1,0,0|2,0,0]=4 3169 B12R1.252 CC(O)CCSc1ccccc1 62a_100012276601_100000041952 [0,1,0,1,0,0|2,0,0]=4 3170 B12R1.252 CC(O)CCSc1ccccn1 62a_100011216584_100012276601 [0,1,0,1,0,0|2,0,0]=4 3171 B12R1.252 CC(O)CCSc1ccccn1 62a_100012276601_100011216584 [0,1,0,1,0,0|2,0,0]=4 3172 B12R1.252 CC(O)CNCc1ccccc1 207a_100000210904_100015611070 [0,1,0,1,0,0|2,0,0]=4 3173 B12R1.252 CC(O)CNCc1ccccc1 2230a_100000210904_100015291786 [0,1,0,1,0,0|2,0,0]=4 3174 B12R1.252 CC(O)CNCc1ccccc1 2230a_100015324214_100011218427 [0,1,0,1,0,0|2,0,0]=4 3175 B12R1.252 CC(O)CNCc1ccccc1 270004a_100000210904_100015611070 [0,1,0,1,0,0|2,0,0]=4 3176 B12R1.252 CC(O)CNCc1ccccc1 34a_100000210904_100015291786 [0,1,0,1,0,0|2,0,0]=4 3177 B12R1.252 CC(O)CNCc1ccccc1 34a_100015324214_100011218427 [0,1,0,1,0,0|2,0,0]=4 3178 B12R1.252 CC(O)CNCc1ccccn1 207a_100000210904_100000209966 [0,1,0,1,0,0|2,0,0]=4 3179 B12R1.252 CC(O)CNCc1ccccn1 2230a_100000210904_100000721315 [0,1,0,1,0,0|2,0,0]=4 3180 B12R1.252 CC(O)CNCc1ccccn1 270004a_100000210904_100000209966 [0,1,0,1,0,0|2,0,0]=4 3181 B12R1.252 CC(O)CNCc1ccccn1 34a_100000210904_100000721315 [0,1,0,1,0,0|2,0,0]=4 3182 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [0,1,0,1,0,0|2,0,0]=4 3183 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [0,1,0,1,0,0|2,0,0]=4 3184 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [0,1,0,1,0,0|2,0,0]=4 3185 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [0,1,0,1,0,0|2,0,0]=4 3186 B12R1.252 CC(O)CSCc1ccccn1 62a_100000721315_100011218427 [0,1,0,1,0,0|2,0,0]=4 3187 B12R1.252 CC(O)CSCc1ccccn1 62a_100011218427_100000721315 [0,1,0,1,0,0|2,0,0]=4 3188 B12R1.252 CN(C)CCCc1ccccc1 2230a_100000693637_200000210301 [0,1,0,1,0,0|2,0,0]=4 3189 B12R1.252 CN(C)CCCc1ccccc1 2230a_100102631434_100000211621 [0,1,0,1,0,0|2,0,0]=4 3190 B12R1.252 CN(C)CCCc1ccccc1 269982a_100000693637_200000210301 [0,1,0,1,0,0|2,0,0]=4 3191 B12R1.252 CN(C)CCCc1ccccc1 269982a_100102631434_100000211621 [0,1,0,1,0,0|2,0,0]=4 3192 B12R1.252 CN([13CH3])CCCc1ccccc1 2230a_100000693637_200025704644 [0,1,0,1,0,0|2,0,0]=4 3193 B12R1.252 CN([13CH3])CCCc1ccccc1 269982a_100000693637_200025704644 [0,1,0,1,0,0|2,0,0]=4 3194 B12R1.252 C[C@@H](Cl)COCc1ccccc1 34a_100016084084_100015291786 [0,1,0,1,0,0|2,0,0]=4 3195 B12R1.252 C[C@@H](Cl)COCc1ccccn1 34a_100016084084_100000721315 [0,1,0,1,0,0|2,0,0]=4 3196 B12R1.252 C[C@@H](N)COCc1ccccc1 34a_100000737577_100015291786 [0,1,0,1,0,0|2,0,0]=4 3197 B12R1.252 C[C@@H](N)COCc1ccccn1 34a_100000737577_100000721315 [0,1,0,1,0,0|2,0,0]=4 3198 B12R1.252 C[C@@H](O)CNCc1ccccc1 2230a_100015324214_100009817552 [0,1,0,1,0,0|2,0,0]=4 3199 B12R1.252 C[C@@H](O)CNCc1ccccc1 34a_100015324214_100009817552 [0,1,0,1,0,0|2,0,0]=4 3200 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [0,1,0,1,0,0|2,0,0]=4 3201 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [0,1,0,1,0,0|2,0,0]=4 3202 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [0,1,0,1,0,0|2,0,0]=4 3203 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [0,1,0,1,0,0|2,0,0]=4 3204 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100000721315_100009817552 [0,1,0,1,0,0|2,0,0]=4 3205 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100009817552_100000721315 [0,1,0,1,0,0|2,0,0]=4 3206 B12R1.252 [13CH3]C(=O)C=CCN1CCCCC1 1458a_100015232380_200025704644 [0,1,0,1,0,0|1,0,1]=4 3207 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,1,0,1,0,0|1,0,1]=4 3208 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [0,1,0,1,0,0|1,0,1]=4 3209 B12R1.255 CC(C)CCCSc1ccco1 62a_100009814098_100011214892 [0,1,0,1,0,0|1,0,1]=4 3210 B12R1.255 CC(C)CCCSc1ccco1 62a_100011214892_100009814098 [0,1,0,1,0,0|1,0,1]=4 3211 B12R1.255 CC(C)CCCSc1cccs1 62a_100011214892_100011215356 [0,1,0,1,0,0|1,1,0]=4 3212 B12R1.255 CC(C)CCCSc1cccs1 62a_100011215356_100011214892 [0,1,0,1,0,0|1,1,0]=4 3213 B12R1.255 CC(O)CCCSc1ccco1 62a_100009814098_200000718107 [0,1,0,1,0,0|1,0,1]=4 3214 B12R1.255 CC(O)CCCSc1ccco1 62a_200000718107_100009814098 [0,1,0,1,0,0|1,0,1]=4 3215 B12R1.255 CC(O)CCCSc1cccs1 62a_100011215356_200000718107 [0,1,0,1,0,0|1,1,0]=4 3216 B12R1.255 CC(O)CCCSc1cccs1 62a_200000718107_100011215356 [0,1,0,1,0,0|1,1,0]=4 3217 B12R1.386 CCCCC1C=CCN1C(=O)C 11a_100015184376_100015343762 [0,1,0,1,0,0|1,0,1]=4 3218 B12R1.386 CCCCC1C=CCN1C(=O)C 1626a_100015184376_100015343762 [0,1,0,1,0,0|1,0,1]=4 3219 B12R1.386 CCCCC1C=CCN1C(=O)C 240690a_100015184376_100015343762 [0,1,0,1,0,0|1,0,1]=4 3220 B12R1.386 CCCCC1C=CCN1C(=O)C 527a_100015184376_100103153847 [0,1,0,1,0,0|1,0,1]=4 3221 B12R1.386 CCCCc1ccsc1C(=O)C 271570a_100020621405_100000738688 [0,1,0,1,0,0|1,0,1]=4 3222 B12R1.386 CCCCc1cscc1C(=O)N 271570a_100020621405_100009817205 [0,1,0,1,0,0|1,0,1]=4 3223 B12R2.2 C1=C(CCCC1)c2ccco2 271570a_100000062251_100009814098 [0,0,0,2,0,0|0,0,2]=4 3224 B12R2.2 C1=C(CCCC1)c2cccs2 271570a_100000062251_100011215356 [0,0,0,2,0,0|0,1,1]=4 3225 B12R2.98 C(=C1CCCC1)c2ccco2 271570a_100010378317_100009814098 [0,0,0,2,0,0|0,0,2]=4 3226 B12R2.98 C(=C1CCCC1)c2cccs2 271570a_100010378317_100011215356 [0,0,0,2,0,0|0,1,1]=4 3227 B12R2.98 c1coc(c1)SC2CCCC2 62a_100009814098_100000179811 [0,0,0,2,0,0|1,0,1]=4 3228 B12R2.98 c1coc(c1)SC2CCCC2 62a_100011217020_100009814098 [0,0,0,2,0,0|1,0,1]=4 3229 B12R2.98 c1csc(c1)SC2CCCC2 62a_100011215356_100000179811 [0,0,0,2,0,0|1,1,0]=4 3230 B12R2.98 c1csc(c1)SC2CCCC2 62a_100011217020_100011215356 [0,0,0,2,0,0|1,1,0]=4 3231 B12R2.2056 c1coc(c1)SCC2CCC2 62a_100000763275_100009814098 [0,0,0,2,0,0|1,0,1]=4 3232 B12R2.2056 c1coc(c1)SCC2CCC2 62a_100009814098_100000763275 [0,0,0,2,0,0|1,0,1]=4 3233 B12R2.2056 c1csc(c1)SCC2CCC2 62a_100000763275_100011215356 [0,0,0,2,0,0|1,1,0]=4 3234 B12R2.2056 c1csc(c1)SCC2CCC2 62a_100011215356_100000763275 [0,0,0,2,0,0|1,1,0]=4 3235 B12R2.2383 c1coc(c1)SCCC2CC2 62a_100000764125_100009814098 [0,0,0,2,0,0|1,0,1]=4 3236 B12R2.2383 c1coc(c1)SCCC2CC2 62a_100009814098_100000764125 [0,0,0,2,0,0|1,0,1]=4 3237 B12R2.2383 c1csc(c1)SCCC2CC2 62a_100000764125_100011215356 [0,0,0,2,0,0|1,1,0]=4 3238 B12R2.2383 c1csc(c1)SCCC2CC2 62a_100011215356_100000764125 [0,0,0,2,0,0|1,1,0]=4 3239 B12R2.931 CCSC1Cc2c1cccc2 62a_100000210202_100009813401 [0,0,0,2,0,0|2,0,0]=4 3240 B12R2.931 CCSC1Cc2c1cccc2 62a_100009813401_100000210202 [0,0,0,2,0,0|2,0,0]=4 3241 B12R2.931 COCC1Cc2c1cccc2 34a_100012476685_200000210301 [0,0,0,2,0,0|2,0,0]=4 3242 B12R2.931 COCC1Cc2c1cccc2 7a_100012476685_200000210301 [0,0,0,2,0,0|2,0,0]=4 3243 B12R2.931 [13CH3]OCC1Cc2c1cccc2 34a_100012476685_200025704644 [0,0,0,2,0,0|2,0,0]=4 3244 B12R2.931 [13CH3]OCC1Cc2c1cccc2 7a_100012476685_200025704644 [0,0,0,2,0,0|2,0,0]=4 3245 B12R2.1081 Oc1cccc2c1CCCC2 271570a_203496583355_100012354034 [0,0,0,2,0,0|0,0,2]=4 3246 B12R2.1 CNC1CCc2c1cccc2 2230a_106832991635_200000721974 [0,0,0,2,0,0|2,0,0]=4 3247 B12R2.1 CNC1CCc2c1cccc2 269862a_106832991636_100000212051 [0,0,0,2,0,0|2,0,0]=4 3248 B12R2.1 CN[C@H]1CCc2c1cccc2 2230a_100016989578_200000210301 [0,0,0,2,0,0|2,0,0]=4 3249 B12R2.1 CN[C@H]1CCc2c1cccc2 34a_100016989578_200000210301 [0,0,0,2,0,0|2,0,0]=4 3250 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [0,0,0,2,0,0|2,0,0]=4 3251 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [0,0,0,2,0,0|2,0,0]=4 3252 B12R2.1 CSC1CCc2c1cccc2 62a_200000210301_200000721974 [0,0,0,2,0,0|2,0,0]=4 3253 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 2230a_100016989578_200025704644 [0,0,0,2,0,0|2,0,0]=4 3254 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 34a_100016989578_200025704644 [0,0,0,2,0,0|2,0,0]=4 3255 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [0,0,0,2,0,0|2,0,0]=4 3256 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [0,0,0,2,0,0|2,0,0]=4 3257 B12R2.1 [13CH3]SC1CCc2c1cccc2 62a_200025704644_200000721974 [0,0,0,2,0,0|2,0,0]=4 3258 B12R2.11 CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200000210301 [0,0,0,2,0,0|2,0,0]=4 3259 B12R2.11 CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200000210301 [0,0,0,2,0,0|2,0,0]=4 3260 B12R2.11 CN1C[C@@H]1Cc2ccccc2 34a_100016998360_200000210301 [0,0,0,2,0,0|2,0,0]=4 3261 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 2230a_100016998360_200025704644 [0,0,0,2,0,0|2,0,0]=4 3262 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 269982a_100016998360_200025704644 [0,0,0,2,0,0|2,0,0]=4 3263 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 34a_100016998360_200025704644 [0,0,0,2,0,0|2,0,0]=4 3264 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [0,0,0,2,0,0|2,0,0]=4 3265 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [0,0,0,2,0,0|2,0,0]=4 3266 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [0,0,0,2,0,0|2,0,0]=4 3267 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [0,0,0,2,0,0|2,0,0]=4 3268 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [0,0,0,2,0,0|2,0,0]=4 3269 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [0,0,0,2,0,0|2,0,0]=4 3270 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [0,0,0,2,0,0|2,0,0]=4 3271 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [0,0,0,2,0,0|2,0,0]=4 3272 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100000212008_100015291786 [0,0,0,2,0,0|2,0,0]=4 3273 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100015324214_100000211595 [0,0,0,2,0,0|2,0,0]=4 3274 B12R2.2057 c1ccc(cc1)COC2CC2 34a_100000210790_100000211595 [0,0,0,2,0,0|2,0,0]=4 3275 B12R2.2057 c1ccc(cc1)CSC2CC2 62a_100000211182_100000211595 [0,0,0,2,0,0|2,0,0]=4 3276 B12R2.2057 c1ccc(cc1)NCC2CC2 34a_100000106764_100000742324 [0,0,0,2,0,0|2,0,0]=4 3277 B12R2.2057 c1ccc(cc1)OCC2CC2 34a_100000210340_100000742324 [0,0,0,2,0,0|2,0,0]=4 3278 B12R2.2057 c1ccc(cc1)OCC2CC2 7a_100000210340_100000742324 [0,0,0,2,0,0|2,0,0]=4 3279 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000719477_100000742324 [0,0,0,2,0,0|2,0,0]=4 3280 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000756562_100000041952 [0,0,0,2,0,0|2,0,0]=4 3281 B12R2.2057 c1ccc(nc1)CNC2CC2 34a_100000212008_100000721315 [0,0,0,2,0,0|2,0,0]=4 3282 B12R2.2057 c1ccc(nc1)CSC2CC2 62a_100000721315_100000211595 [0,0,0,2,0,0|2,0,0]=4 3283 B12R2.2057 c1ccc(nc1)SCC2CC2 62a_100000756562_100011216584 [0,0,0,2,0,0|2,0,0]=4 3284 B12R2.2057 c1ccc(nc1)SCC2CC2 62a_100011216584_100000742324 [0,0,0,2,0,0|2,0,0]=4 3285 B12R2.2058 c1ccc(cc1)CN2CCC2 269982a_100000754969_100000211182 [0,0,0,2,0,0|2,0,0]=4 3286 B12R2.2058 c1ccc(cc1)NC2CCC2 34a_100000106764_100000749161 [0,0,0,2,0,0|2,0,0]=4 3287 B12R2.2058 c1ccc(cc1)OC2CCC2 34a_100000210340_100000749161 [0,0,0,2,0,0|2,0,0]=4 3288 B12R2.2058 c1ccc(cc1)SC2CCC2 62a_100000719477_100000749161 [0,0,0,2,0,0|2,0,0]=4 3289 B12R2.2058 c1ccc(nc1)CN2CCC2 269982a_100000754969_100000721315 [0,0,0,2,0,0|2,0,0]=4 3290 B12R2.2058 c1ccc(nc1)SC2CCC2 62a_100011216584_100000749161 [0,0,0,2,0,0|2,0,0]=4 3291 B12R2.2048 O=Cc1ccccc1C2CC2 271570a_100011220607_100000211189 [0,0,0,2,0,0|0,0,2]=4 3292 B12R2.2048 O=Cc1cccnc1C2CC2 271570a_100011220607_100009816751 [0,0,0,2,0,0|1,0,1]=4