0 B11R0.3 C/C=C/C=C/COCCCCC 34a_100016283227_100000718602 [0,0,0,0,0,0|2,0,1]=3 1 B11R0.3 C/C=C/C=C/COCCCCF 34a_100016283227_100000729493 [0,0,0,0,0,0|3,0,1]=4 2 B11R0.3 C/C=C/C=C/COCCCCO 34a_100016283227_100011216708 [0,0,0,0,0,0|3,0,1]=4 3 B11R0.3 C/C=C/C=C/COCCCOC 34a_100016283227_100000740836 [0,0,0,0,0,0|3,0,1]=4 4 B11R0.3 C/C=C/C=C/COCCOCC 34a_100016283227_100000210147 [0,0,0,0,0,0|3,0,1]=4 5 B11R0.3 C/C=C/C=C/COCCSCC 34a_100016283227_100000757381 [0,0,0,0,0,0|3,0,1]=4 6 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [0,0,0,0,0,0|2,0,2]=4 7 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [0,0,0,0,0,0|2,0,2]=4 8 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [0,0,0,0,0,0|2,0,2]=4 9 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [0,0,0,0,0,0|2,0,2]=4 11 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [0,0,0,0,0,0|2,0,2]=4 12 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [0,0,0,0,0,0|2,0,2]=4 13 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [0,0,0,0,0,0|2,0,2]=4 15 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [0,0,0,0,0,0|2,0,2]=4 17 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [0,0,0,0,0,0|2,0,2]=4 18 B11R0.3 CC=CC=CC=NNCCCC 4a_100025702795_100000691131 [0,0,0,0,0,0|3,0,0]=3 19 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [0,0,0,0,0,0|2,0,2]=4 20 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [0,0,0,0,0,0|2,0,2]=4 21 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [0,0,0,0,0,0|2,0,2]=4 22 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [0,0,0,0,0,0|2,0,2]=4 23 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.3 CCC=CC=NNCCCCC 4a_100000694160_100011216943 [0,0,0,0,0,0|3,0,1]=4 25 B11R0.3 CCCCC/C=C/C=C/COC 34a_200014065772_200000210301 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.3 CCCCC/C=C/C=C/COC 7a_200014065772_200000210301 [0,0,0,0,0,0|2,0,2]=4 27 B11R0.3 CCCCC/C=C/C=C/CO[13CH3] 34a_200014065772_200025704644 [0,0,0,0,0,0|2,0,2]=4 28 B11R0.3 CCCCC/C=C/C=C/CO[13CH3] 7a_200014065772_200025704644 [0,0,0,0,0,0|2,0,2]=4 29 B11R0.3 CCCCC/C=C/COCC=O 34a_100016258190_200009817547 [0,0,0,0,0,0|1,0,3]=4 30 B11R0.3 CCCCC/C=C/COCC=O 7a_100016258190_200015260668 [0,0,0,0,0,0|1,0,3]=4 31 B11R0.3 CCCCCC/C=C/COCC 34a_200016276170_100000210202 [0,0,0,0,0,0|2,0,2]=4 32 B11R0.3 CCCCCC/C=C/COCC 7a_200016276170_100000210202 [0,0,0,0,0,0|2,0,2]=4 33 B11R0.3 CCCCCC/C=C/COCF 34a_200016276170_100015361967 [0,0,0,0,0,0|2,0,2]=4 34 B11R0.3 CCCCCC/C=C/COCF 7a_200016276170_100015361967 [0,0,0,0,0,0|2,0,2]=4 35 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [0,0,0,0,0,0|1,0,3]=4 36 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [0,0,0,0,0,0|1,0,3]=4 37 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [0,0,0,0,0,0|1,0,3]=4 38 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [0,0,0,0,0,0|1,0,3]=4 39 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [0,0,0,0,0,0|1,0,3]=4 40 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [0,0,0,0,0,0|1,0,3]=4 41 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [0,0,0,0,0,0|1,0,3]=4 42 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [0,0,0,0,0,0|1,0,3]=4 43 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [0,0,0,0,0,0|1,0,3]=4 44 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [0,0,0,0,0,0|1,0,3]=4 45 B10R0.71 C/C=C/C=C/COCCCC 34a_100016283227_100000210210 [1,0,0,0,0,0|1,0,1]=3 46 B10R0.71 C/C=C/C=C/COCCCF 34a_100016283227_100011934791 [1,0,0,0,0,0|2,0,1]=4 47 B10R0.71 C/C=C/C=C/COCCCO 34a_100016283227_100000230001 [1,0,0,0,0,0|2,0,1]=4 48 B10R0.71 C/C=C/C=C/COCCOC 34a_100016283227_100011201679 [1,0,0,0,0,0|2,0,1]=4 49 B10R0.71 C/C=C/C=C/COCCSC 34a_100016283227_100000212216 [1,0,0,0,0,0|2,0,1]=4 50 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,0,0,0,0,0|1,0,2]=4 51 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,0,0,0,0,0|1,0,2]=4 52 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,0,0,0,0,0|1,0,2]=4 53 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [1,0,0,0,0,0|1,0,2]=4 54 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [1,0,0,0,0,0|1,0,2]=4 55 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [1,0,0,0,0,0|1,0,2]=4 56 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [1,0,0,0,0,0|1,0,2]=4 57 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [1,0,0,0,0,0|1,0,2]=4 58 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [1,0,0,0,0,0|1,0,2]=4 59 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [1,0,0,0,0,0|1,0,2]=4 60 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [1,0,0,0,0,0|1,0,2]=4 61 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [1,0,0,0,0,0|1,0,2]=4 62 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [1,0,0,0,0,0|1,0,2]=4 63 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [1,0,0,0,0,0|1,0,2]=4 64 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [1,0,0,0,0,0|1,0,2]=4 65 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [1,0,0,0,0,0|1,0,2]=4 66 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [1,0,0,0,0,0|1,0,2]=4 67 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [1,0,0,0,0,0|1,0,2]=4 68 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [1,0,0,0,0,0|1,0,2]=4 69 B10R0.71 CC=CC=CC=NNCCC 4a_100000740057_100000691131 [1,0,0,0,0,0|3,0,0]=4 70 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [1,0,0,0,0,0|1,0,2]=4 71 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,0,0,0,0,0|1,0,2]=4 72 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,0,0,0,0,0|1,0,2]=4 73 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [1,0,0,0,0,0|1,0,2]=4 74 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [1,0,0,0,0,0|1,0,2]=4 75 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [1,0,0,0,0,0|1,0,2]=4 76 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [1,0,0,0,0,0|1,0,2]=4 77 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [1,0,0,0,0,0|1,0,2]=4 78 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [1,0,0,0,0,0|1,0,2]=4 79 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [1,0,0,0,0,0|1,0,2]=4 80 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,0,0,0,0,0|1,0,2]=4 81 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,0,0,0,0,0|1,0,2]=4 82 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [1,0,0,0,0,0|1,0,2]=4 83 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [1,0,0,0,0,0|1,0,2]=4 84 B12R0.1 C#CCC(=O)C=CCCCCCC 1458a_200015324643_100000184674 [0,1,0,0,0,0|1,0,2]=4 85 B12R0.1 C/C=C/C=C/COCC(C)CCC 34a_100016283227_100011216630 [0,1,0,0,0,0|2,0,1]=4 86 B12R0.1 C=CCC(=O)C=CCCCCCC 1458a_200015324643_100000210623 [0,1,0,0,0,0|1,0,1]=3 87 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [0,1,0,0,0,0|1,0,2]=4 88 B12R0.1 CC=CC(=O)NCCCCCCC 11a_100000229938_100000210699 [0,1,0,0,0,0|2,0,1]=4 89 B12R0.1 CC=CC(=O)NCCCCCCC 1626a_100000229938_100000210699 [0,1,0,0,0,0|2,0,1]=4 90 B12R0.1 CC=CC(=O)NCCCCCCC 240690a_100000229938_100000210699 [0,1,0,0,0,0|2,0,1]=4 91 B12R0.1 CCCCCCC=CC(=O)CC#N 1458a_200015324643_100011214920 [0,1,0,0,0,0|1,0,2]=4 92 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [0,1,0,0,0,0|1,0,2]=4 93 B12R0.1 CCCCCCC=CC(=O)CCF 1458a_200015324643_100011217306 [0,1,0,0,0,0|1,0,2]=4 94 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [0,1,0,0,0,0|0,0,3]=4 95 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [0,1,0,0,0,0|2,0,1]=4 96 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [0,1,0,0,0,0|2,0,1]=4 97 B12R0.1 CCCCCCC=CC(=O)NNC 22a_100016993582_200015324643 [0,1,0,0,0,0|3,0,0]=4 98 B12R0.1 CCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210759 [0,1,0,0,0,0|1,0,2]=4 99 B12R0.1 CCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210759 [0,1,0,0,0,0|1,0,2]=4 100 B12R0.1 CCCCCCCCC(=O)C=CI 1458a_100016256311_100000210759 [0,1,0,0,0,0|1,0,2]=4 101 B12R0.1 CCCCCCCNC(=O)C=CBr 1626a_100000229938_100016273825 [0,1,0,0,0,0|2,0,1]=4 102 B12R0.1 CCCCCCCNC(=O)C=CBr 240690a_100000229938_100016273825 [0,1,0,0,0,0|2,0,1]=4 103 B12R0.1 CCCCCCCNC(=O)C=CCl 11a_100000229938_200016279998 [0,1,0,0,0,0|2,0,1]=4 104 B12R0.1 CCCCCCCNC(=O)C=CCl 1626a_100000229938_200016279998 [0,1,0,0,0,0|2,0,1]=4 105 B12R0.1 CCCCCCCNC(=O)C=CCl 240690a_100000229938_200016279998 [0,1,0,0,0,0|2,0,1]=4 106 B12R0.1 CCCCCCCNC(=O)C=CI 1626a_100000229938_100016256311 [0,1,0,0,0,0|2,0,1]=4 107 B12R0.5 C/C=C/C=C/COCCCCCC 34a_100016283227_100000210314 [0,1,0,0,0,0|1,0,1]=3 108 B12R0.5 C/C=C/C=C/COCCCCCF 34a_100016283227_100000729378 [0,1,0,0,0,0|2,0,1]=4 109 B12R0.5 C/C=C/C=C/COCCCCCO 34a_100016283227_100000746330 [0,1,0,0,0,0|2,0,1]=4 110 B12R0.5 C/C=C/C=C/COCCCCOC 34a_100016283227_100000755781 [0,1,0,0,0,0|2,0,1]=4 111 B12R0.5 C/C=C/C=C/COCCCOCC 34a_100016283227_100012232248 [0,1,0,0,0,0|2,0,1]=4 112 B12R0.5 C/C=C/C=C/COCCOCCC 34a_100016283227_100011215938 [0,1,0,0,0,0|2,0,1]=4 113 B12R0.5 C/C=C/C=C/COCOCCCC 34a_100016283227_100011995733 [0,1,0,0,0,0|2,0,1]=4 114 B12R0.5 C=CCOC/C=C/CCCCCC 34a_200016276170_100015514636 [0,1,0,0,0,0|1,0,2]=4 115 B12R0.5 C=CCOC/C=C/CCCCCC 7a_200016276170_100015514636 [0,1,0,0,0,0|1,0,2]=4 116 B12R0.5 CC/C=C/C/C=C/CCOCCC 34a_200016273837_100000210303 [0,1,0,0,0,0|2,0,1]=4 117 B12R0.5 CC/C=C/C/C=C/CCOCCC 7a_200016273837_100000210303 [0,1,0,0,0,0|2,0,1]=4 118 B12R0.5 CC=CC=CC=NNCCCCC 4a_100000694160_100000691131 [0,1,0,0,0,0|2,0,0]=3 119 B12R0.5 CC=CC=CC=NNCCOCC 4a_100000732670_100000691131 [0,1,0,0,0,0|3,0,0]=4 120 B12R0.5 CCC/C=C/C=C/COCCCC 34a_100016294078_100000210210 [0,1,0,0,0,0|2,0,1]=4 121 B12R0.5 CCC=CC=CC=NNCCCC 4a_100025702795_100103038579 [0,1,0,0,0,0|3,0,0]=4 122 B12R0.5 CCCCCC/C=C/C=C/COC 34a_200028454808_200000210301 [0,1,0,0,0,0|0,0,2]=3 123 B12R0.5 CCCCCC/C=C/C=C/COC 7a_200028454808_200000210301 [0,1,0,0,0,0|0,0,2]=3 124 B12R0.5 CCCCCC/C=C/C=C/CO[13CH3] 34a_200028454808_200025704644 [0,1,0,0,0,0|0,0,2]=3 125 B12R0.5 CCCCCC/C=C/C=C/CO[13CH3] 7a_200028454808_200025704644 [0,1,0,0,0,0|0,0,2]=3 126 B12R0.5 CCCCCC/C=C/COCC=O 34a_200016276170_200009817547 [0,1,0,0,0,0|0,0,2]=3 127 B12R0.5 CCCCCC/C=C/COCC=O 7a_200016276170_200015260668 [0,1,0,0,0,0|0,0,2]=3 128 B12R0.5 CCCCCCC=CC=NNCC 4a_100000756455_100016264548 [0,1,0,0,0,0|2,0,1]=4 129 B12R0.47 C#CCCCCC(=O)C=C/C=C/C 1458a_100000185730_100010269958 [0,1,0,0,0,0|1,0,2]=4 130 B12R0.47 C/C=C/C=CC(=NNCCCC)C 4a_100025702795_100016268696 [0,1,0,0,0,0|3,0,0]=4 131 B12R0.47 C/C=C/C=CC(=O)CC/C=C\CC 1458a_100000185730_100015370543 [0,1,0,0,0,0|1,0,2]=4 132 B12R0.47 C/C=C/C=CC(=O)CCCCC#N 1458a_100000185730_100000211819 [0,1,0,0,0,0|2,0,1]=4 133 B12R0.47 C/C=C/C=CC(=O)CCCCCC 1458a_100000185730_100000210757 [0,1,0,0,0,0|1,0,0]=2 134 B12R0.47 C/C=C/C=CC(=O)CCCCCF 1458a_100000185730_100000729378 [0,1,0,0,0,0|2,0,0]=3 135 B12R0.47 C/C=C/C=CC(=O)CCCCCO 1458a_100000185730_100000746330 [0,1,0,0,0,0|2,0,0]=3 136 B12R0.47 C/C=C/C=CC(=O)CCCCOC 1458a_100000185730_100000755781 [0,1,0,0,0,0|2,0,0]=3 137 B12R0.47 C/C=C/C=CC(=O)CCCOCC 1458a_100000185730_100012232248 [0,1,0,0,0,0|2,0,0]=3 138 B12R0.47 C/C=C/C=CC(=O)CCOCCC 1458a_100000185730_100011215938 [0,1,0,0,0,0|2,0,0]=3 139 B12R0.47 C/C=C/C=CC(=O)CCOCCO 1458a_100000185730_100011215305 [0,1,0,0,0,0|3,0,0]=4 140 B12R0.47 C/C=C/C=CC(=O)COCCCC 1458a_100000185730_100011995733 [0,1,0,0,0,0|2,0,0]=3 141 B12R0.47 C/C=C/C=CC(=O)NCCCCC 11a_100000209983_100000185730 [0,1,0,0,0,0|2,0,0]=3 142 B12R0.47 C/C=C/C=CC(=O)NCCCCC 1626a_100000209983_100000185730 [0,1,0,0,0,0|2,0,0]=3 143 B12R0.47 C/C=C/C=CC(=O)NCCCCC 240690a_100000209983_100000185730 [0,1,0,0,0,0|2,0,0]=3 144 B12R0.47 C/C=C/C=CC(=O)NCCCCO 240690a_100000750430_100000185730 [0,1,0,0,0,0|3,0,0]=4 145 B12R0.47 C/C=C/C=CC(=O)NCCCOC 1626a_100150723488_100000185730 [0,1,0,0,0,0|3,0,0]=4 146 B12R0.47 C/C=C/C=CC(=O)NCCCOC 240690a_100150723488_100000185730 [0,1,0,0,0,0|3,0,0]=4 147 B12R0.47 C/C=C/C=CC(=O)NCCCSC 11a_100000749238_100000185730 [0,1,0,0,0,0|3,0,0]=4 148 B12R0.47 C/C=C/C=CC(=O)NCCCSC 1626a_100000749238_100000185730 [0,1,0,0,0,0|3,0,0]=4 149 B12R0.47 C/C=C/C=CC(=O)NCCCSC 240690a_100000749238_100000185730 [0,1,0,0,0,0|3,0,0]=4 150 B12R0.47 C/C=C/C=CC(=O)NCCOCC 11a_100011200944_100000185730 [0,1,0,0,0,0|3,0,0]=4 151 B12R0.47 C/C=C/C=CC(=O)NCCOCC 1626a_102516460346_100000185730 [0,1,0,0,0,0|3,0,0]=4 152 B12R0.47 C/C=C/C=CC(=O)NCCOCC 240690a_100011200944_100000185730 [0,1,0,0,0,0|3,0,0]=4 153 B12R0.47 C/C=C/C=CC(=O)NCCSCC 11a_100000106463_100000185730 [0,1,0,0,0,0|3,0,0]=4 154 B12R0.47 C/C=C/C=CC(=O)NCCSCC 1626a_100000106463_100000185730 [0,1,0,0,0,0|3,0,0]=4 155 B12R0.47 C/C=C/C=CC(=O)NCCSCC 240690a_100000106463_100000185730 [0,1,0,0,0,0|3,0,0]=4 156 B12R0.47 C/C=C/C=CC(=O)NNCCCC 22a_100025702795_100000185730 [0,1,0,0,0,0|3,0,0]=4 157 B12R0.47 C=CCCCCC(=O)C=C/C=C/C 1458a_100000185730_100011215482 [0,1,0,0,0,0|1,0,2]=4 158 B12R0.47 CC/C=C/CC(=O)CCCCCC 1458a_100016274230_100000210757 [0,1,0,0,0,0|1,0,2]=4 159 B12R0.47 CC/C=C\CC(=O)CCCCCC 1458a_100102632555_100103147603 [0,1,0,0,0,0|1,0,2]=4 160 B12R0.47 CCCC=CC(=O)CCCCCC 1458a_100000212230_100000210757 [0,1,0,0,0,0|1,0,2]=4 161 B12R0.47 CCCCCCC(=O)C=CCOC 1458a_100016285016_100000210757 [0,1,0,0,0,0|2,0,1]=4 162 B12R0.47 CCCCCCC(=O)C=COCC 1458a_100016266692_100000210757 [0,1,0,0,0,0|2,0,1]=4 163 B12R0.206 C/C=C/C=C/COC(C)CCCC 34a_100016283227_200011215066 [0,1,0,0,0,0|2,0,1]=4 164 B12R0.206 C/C=C/CC(=O)C=CCCCCC 1458a_100016263427_100102629194 [0,1,0,0,0,0|1,0,2]=4 165 B12R0.206 C/C=C/CC(=O)CCCCCCC 1458a_100000211969_100102629194 [0,1,0,0,0,0|1,0,2]=4 166 B12R0.206 C=CC=CC(=O)CCCCCCC 1458a_100016291481_100000210614 [0,1,0,0,0,0|1,0,1]=3 167 B12R0.206 C=CC=CC(=O)CCCCCCF 1458a_100016291481_100015922095 [0,1,0,0,0,0|2,0,1]=4 168 B12R0.206 C=CC=CC(=O)CCCCCCO 1458a_100016291481_100000766143 [0,1,0,0,0,0|2,0,1]=4 169 B12R0.206 C=CC=CC(=O)CCOCCCC 1458a_100016291481_100000743108 [0,1,0,0,0,0|2,0,1]=4 170 B12R0.206 C=CC=CC(=O)NCCCCCC 1626a_100000210581_100016291481 [0,1,0,0,0,0|2,0,0]=3 171 B12R0.206 C=CC=CC(=O)NCCCOCC 1626a_100000210961_100016291481 [0,1,0,0,0,0|3,0,0]=4 172 B12R0.206 C=CC=CC(=O)NCCOCCC 1626a_100161115042_100016291481 [0,1,0,0,0,0|3,0,0]=4 173 B12R0.206 C=CC=CC(=O)NNCCCCC 22a_100000694160_100016291481 [0,1,0,0,0,0|3,0,0]=4 174 B12R0.206 CC=CCC(=O)C=CCCCCC 1458a_100016263427_100000070051 [0,1,0,0,0,0|1,0,2]=4 175 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100000211969_100000070051 [0,1,0,0,0,0|1,0,2]=4 176 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100121576822_100000210614 [0,1,0,0,0,0|1,0,2]=4 177 B12R0.206 CC=CCC(=O)NCCCCCC 11a_100000210581_100121576822 [0,1,0,0,0,0|2,0,1]=4 178 B12R0.206 CC=CCC(=O)NCCCCCC 1626a_100000210581_100121576822 [0,1,0,0,0,0|2,0,1]=4 179 B12R0.206 CC=CCC(=O)NCCCCCC 240690a_100000210581_100121576822 [0,1,0,0,0,0|2,0,1]=4 180 B12R0.206 CC=CCC(=O)NCCCCCC 527a_100000210581_100121576822 [0,1,0,0,0,0|2,0,1]=4 181 B12R0.206 CCC=CC(=O)CCCCCCC 1458a_100000212282_100000210614 [0,1,0,0,0,0|1,0,2]=4 182 B12R0.206 CCC=CC(=O)NCCCCCC 11a_100000210581_100000212282 [0,1,0,0,0,0|2,0,1]=4 183 B12R0.206 CCC=CC(=O)NCCCCCC 1626a_100000210581_100000212282 [0,1,0,0,0,0|2,0,1]=4 184 B12R0.206 CCC=CC(=O)NCCCCCC 240690a_100000210581_100000212282 [0,1,0,0,0,0|2,0,1]=4 185 B12R0.206 CCCCCCCC(=O)C=COC 1458a_100016268678_100000210614 [0,1,0,0,0,0|2,0,1]=4 186 B12R0.206 CCCCCCNC(=O)C=COC 1626a_100000210581_100016268678 [0,1,0,0,0,0|3,0,0]=4 187 B12R0.206 CCCCCCNC(=O)C=COC 240690a_100000210581_100016268678 [0,1,0,0,0,0|3,0,0]=4 188 B12R0.234 C/C=C/C=C/COCCCC(C)C 34a_100016283227_100011214892 [0,1,0,0,0,0|2,0,1]=4 189 B12R0.234 C/C=C/C=C/COCCCC(C)O 34a_100016283227_200000718107 [0,1,0,0,0,0|2,0,1]=4 190 B12R0.234 CCCCCC=CC=NNC(=O)C 4a_100000189765_100016268540 [0,1,0,0,0,0|2,0,1]=4 191 B12R0.234 CCCCCCCC=NNC(=O)C 4a_100000189765_100000210592 [0,1,0,0,0,0|2,0,1]=4 192 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [0,1,0,0,0,0|0,0,2]=3 193 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [0,1,0,0,0,0|0,0,2]=3 194 B12R0.248 CC=CC=CC=NNCC(O)CC 4a_100015206393_100000691131 [0,1,0,0,0,0|3,0,0]=4 195 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [0,1,0,0,0,0|1,0,2]=4 196 B12R0.248 CCCCCC/C=C/CC(=O)CF 1458a_100020681715_100015361967 [0,1,0,0,0,0|1,0,2]=4 197 B12R0.248 CCCCCC/C=C/CC(=O)NC 11a_106832991635_100020681715 [0,1,0,0,0,0|2,0,1]=4 198 B12R0.248 CCCCCC/C=C/CC(=O)NC 1626a_100102657272_100020681715 [0,1,0,0,0,0|2,0,1]=4 199 B12R0.248 CCCCCC/C=C/CC(=O)NC 240690a_100102657272_100020681715 [0,1,0,0,0,0|2,0,1]=4 200 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [0,1,0,0,0,0|1,0,2]=4 201 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [0,1,0,0,0,0|1,0,2]=4 202 B12R0.248 CCCCCCCC=CC(=O)NC 11a_106832991635_200015332781 [0,1,0,0,0,0|2,0,1]=4 203 B12R0.248 CCCCCCCC=CC(=O)NC 1626a_100102657272_200015332781 [0,1,0,0,0,0|2,0,1]=4 204 B12R0.248 CCCCCCCC=CC(=O)NC 240690a_100102657272_200015332781 [0,1,0,0,0,0|2,0,1]=4 205 B12R1.8 BrCCCOCc1ccccc1 34a_100011217188_100015291786 [0,0,0,1,0,0|3,0,0]=4 206 B12R1.8 BrCCCOCc1ccccn1 34a_100011217188_100000721315 [0,0,0,1,0,0|3,0,0]=4 207 B12R1.8 BrCCOCCc1ccccc1 34a_100000211926_100000765856 [0,0,0,1,0,0|3,0,0]=4 208 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [0,0,0,1,0,0|1,0,2]=4 209 B12R1.8 CCCCC=Cc1ccccn1 271570a_100016275911_100011216584 [0,0,0,1,0,0|1,0,2]=4 210 B12R1.8 CCCCCNc1ccccc1 34a_100000106764_100000718602 [0,0,0,1,0,0|2,0,0]=3 211 B12R1.8 CCCCCNc1cccnn1 27a_100000209983_100016991348 [0,0,0,1,0,0|3,0,0]=4 212 B12R1.8 CCCCCNc1ccncn1 27a_100000209983_100000703185 [0,0,0,1,0,0|3,0,0]=4 213 B12R1.8 CCCCCNc1cnccn1 27a_100000209983_100000211759 [0,0,0,1,0,0|3,0,0]=4 214 B12R1.8 CCCCCNc1ncccn1 27a_100000209983_100000211032 [0,0,0,1,0,0|3,0,0]=4 215 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [0,0,0,1,0,0|2,0,0]=3 216 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [0,0,0,1,0,0|2,0,0]=3 217 B12R1.8 CCCCCOc1cccnc1 34a_100000210849_100000718602 [0,0,0,1,0,0|3,0,0]=4 218 B12R1.8 CCCCCOc1cccnc1 7a_100000210849_100000210326 [0,0,0,1,0,0|3,0,0]=4 219 B12R1.8 CCCCCOc1ccncc1 34a_100000212176_100000718602 [0,0,0,1,0,0|3,0,0]=4 220 B12R1.8 CCCCCSc1ccccc1 62a_100000210326_100000041952 [0,0,0,1,0,0|2,0,0]=3 221 B12R1.8 CCCCCSc1ccccc1 62a_100000719477_100000210326 [0,0,0,1,0,0|2,0,0]=3 222 B12R1.8 CCCCCSc1ccccn1 62a_100000210326_100011216584 [0,0,0,1,0,0|2,0,0]=3 223 B12R1.8 CCCCCSc1ccccn1 62a_100011216584_100000210326 [0,0,0,1,0,0|2,0,0]=3 224 B12R1.8 CCCCCSc1cccnc1 62a_100000210063_100000210326 [0,0,0,1,0,0|3,0,0]=4 225 B12R1.8 CCCCCSc1cccnc1 62a_100000210326_100000210063 [0,0,0,1,0,0|3,0,0]=4 226 B12R1.8 CCCCCSc1cccnn1 62a_100000210326_100016991348 [0,0,0,1,0,0|3,0,0]=4 227 B12R1.8 CCCCCSc1cccnn1 62a_100016991348_100000210326 [0,0,0,1,0,0|3,0,0]=4 228 B12R1.8 CCCCCSc1ccncc1 62a_100000210326_100000728582 [0,0,0,1,0,0|3,0,0]=4 229 B12R1.8 CCCCCSc1ccncc1 62a_100000728582_100000210326 [0,0,0,1,0,0|3,0,0]=4 230 B12R1.8 CCCCCSc1ccncn1 62a_100000210326_100000703185 [0,0,0,1,0,0|3,0,0]=4 231 B12R1.8 CCCCCSc1ccncn1 62a_100000703185_100000210326 [0,0,0,1,0,0|3,0,0]=4 232 B12R1.8 CCCCCSc1cnccn1 62a_100000210326_100000211759 [0,0,0,1,0,0|3,0,0]=4 233 B12R1.8 CCCCCSc1cnccn1 62a_100000211759_100000210326 [0,0,0,1,0,0|3,0,0]=4 234 B12R1.8 CCCCCSc1ncccn1 62a_100000210326_100000211032 [0,0,0,1,0,0|3,0,0]=4 235 B12R1.8 CCCCCSc1ncccn1 62a_100000211032_100000210326 [0,0,0,1,0,0|3,0,0]=4 236 B12R1.8 CCCCNCc1ccccc1 207a_100000102301_100015611070 [0,0,0,1,0,0|2,0,0]=3 237 B12R1.8 CCCCNCc1ccccc1 2230a_100000102301_100015291786 [0,0,0,1,0,0|2,0,0]=3 238 B12R1.8 CCCCNCc1ccccc1 2230a_100015324214_100000210211 [0,0,0,1,0,0|2,0,0]=3 239 B12R1.8 CCCCNCc1ccccc1 270004a_100000102301_100015611070 [0,0,0,1,0,0|2,0,0]=3 240 B12R1.8 CCCCNCc1ccccc1 34a_100015324214_100000210210 [0,0,0,1,0,0|2,0,0]=3 241 B12R1.8 CCCCNCc1ccccc1 7a_106832991798_100000211182 [0,0,0,1,0,0|2,0,0]=3 242 B12R1.8 CCCCNCc1ccccn1 207a_100000102301_100000209966 [0,0,0,1,0,0|2,0,0]=3 243 B12R1.8 CCCCNCc1ccccn1 2230a_100000102301_100000721315 [0,0,0,1,0,0|2,0,0]=3 244 B12R1.8 CCCCNCc1ccccn1 270004a_100000102301_100000209966 [0,0,0,1,0,0|2,0,0]=3 245 B12R1.8 CCCCNCc1ccccn1 7a_106832991798_100000721315 [0,0,0,1,0,0|2,0,0]=3 246 B12R1.8 CCCCNCc1cccnc1 207a_100000102301_100000209961 [0,0,0,1,0,0|3,0,0]=4 247 B12R1.8 CCCCNCc1cccnc1 2230a_100000102301_100000741622 [0,0,0,1,0,0|3,0,0]=4 248 B12R1.8 CCCCNCc1cccnc1 270004a_100000102301_100000209961 [0,0,0,1,0,0|3,0,0]=4 249 B12R1.8 CCCCNCc1cccnc1 7a_106832991798_100000741622 [0,0,0,1,0,0|3,0,0]=4 250 B12R1.8 CCCCNCc1cccnn1 2230a_100000102301_100016990269 [0,0,0,1,0,0|3,0,0]=4 251 B12R1.8 CCCCNCc1cccnn1 2230a_100159270163_100000210211 [0,0,0,1,0,0|3,0,0]=4 252 B12R1.8 CCCCNCc1cccnn1 7a_106832991798_100016990269 [0,0,0,1,0,0|3,0,0]=4 253 B12R1.8 CCCCNCc1ccncc1 207a_100000102301_100000186114 [0,0,0,1,0,0|3,0,0]=4 254 B12R1.8 CCCCNCc1ccncc1 2230a_100000102301_100015193705 [0,0,0,1,0,0|3,0,0]=4 255 B12R1.8 CCCCNCc1ccncc1 7a_106832991798_100015193705 [0,0,0,1,0,0|3,0,0]=4 256 B12R1.8 CCCCNCc1cnccn1 2230a_100000102301_100016995436 [0,0,0,1,0,0|3,0,0]=4 257 B12R1.8 CCCCNCc1cnccn1 270004a_100000102301_100000749867 [0,0,0,1,0,0|3,0,0]=4 258 B12R1.8 CCCCNCc1cnccn1 7a_106832991798_100016995436 [0,0,0,1,0,0|3,0,0]=4 259 B12R1.8 CCCCNCc1ncccn1 2230a_100000102301_100000703007 [0,0,0,1,0,0|3,0,0]=4 260 B12R1.8 CCCCNCc1ncccn1 270004a_100000102301_100011532527 [0,0,0,1,0,0|3,0,0]=4 261 B12R1.8 CCCCNCc1ncccn1 7a_106832991798_100000703007 [0,0,0,1,0,0|3,0,0]=4 262 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [0,0,0,1,0,0|2,0,0]=3 263 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [0,0,0,1,0,0|2,0,0]=3 264 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [0,0,0,1,0,0|2,0,0]=3 265 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [0,0,0,1,0,0|2,0,0]=3 266 B12R1.8 CCCCOCc1ccccn1 34a_100000210227_100000721315 [0,0,0,1,0,0|2,0,0]=3 267 B12R1.8 CCCCOCc1ccccn1 7a_100000210227_100000721315 [0,0,0,1,0,0|2,0,0]=3 268 B12R1.8 CCCCOCc1cccnc1 34a_100000210227_100000733263 [0,0,0,1,0,0|3,0,0]=4 269 B12R1.8 CCCCOCc1cccnc1 7a_100000210227_100000741622 [0,0,0,1,0,0|3,0,0]=4 270 B12R1.8 CCCCOCc1cccnn1 34a_100000210227_100016990269 [0,0,0,1,0,0|3,0,0]=4 271 B12R1.8 CCCCOCc1cccnn1 7a_100000210227_100016990269 [0,0,0,1,0,0|3,0,0]=4 272 B12R1.8 CCCCOCc1ccncc1 7a_100000210227_100015193705 [0,0,0,1,0,0|3,0,0]=4 273 B12R1.8 CCCCOCc1cnccn1 34a_100000210227_100016995436 [0,0,0,1,0,0|3,0,0]=4 274 B12R1.8 CCCCOCc1cnccn1 7a_100000210227_100016995436 [0,0,0,1,0,0|3,0,0]=4 275 B12R1.8 CCCCOCc1ncccn1 34a_100000210227_100000703007 [0,0,0,1,0,0|3,0,0]=4 276 B12R1.8 CCCCOCc1ncccn1 7a_100000210227_100000703007 [0,0,0,1,0,0|3,0,0]=4 277 B12R1.8 CCCCSCc1ccccc1 62a_100000210211_100015291786 [0,0,0,1,0,0|2,0,0]=3 278 B12R1.8 CCCCSCc1ccccc1 62a_100000211182_100000210210 [0,0,0,1,0,0|2,0,0]=3 279 B12R1.8 CCCCSCc1ccccn1 62a_100000210211_100000721315 [0,0,0,1,0,0|2,0,0]=3 280 B12R1.8 CCCCSCc1ccccn1 62a_100000721315_100000210210 [0,0,0,1,0,0|2,0,0]=3 281 B12R1.8 CCCCSCc1cccnc1 62a_100000210211_100000741622 [0,0,0,1,0,0|3,0,0]=4 282 B12R1.8 CCCCSCc1cccnc1 62a_100000741622_100000210210 [0,0,0,1,0,0|3,0,0]=4 283 B12R1.8 CCCCSCc1cccnn1 62a_100000210211_100016990269 [0,0,0,1,0,0|3,0,0]=4 284 B12R1.8 CCCCSCc1cccnn1 62a_100016990269_100000210210 [0,0,0,1,0,0|3,0,0]=4 285 B12R1.8 CCCCSCc1ccncc1 62a_100000210211_100015193705 [0,0,0,1,0,0|3,0,0]=4 286 B12R1.8 CCCCSCc1ccncc1 62a_100015193705_100000210210 [0,0,0,1,0,0|3,0,0]=4 287 B12R1.8 CCCCSCc1cnccn1 62a_100000210211_100016995436 [0,0,0,1,0,0|3,0,0]=4 288 B12R1.8 CCCCSCc1cnccn1 62a_100016995436_100000210210 [0,0,0,1,0,0|3,0,0]=4 289 B12R1.8 CCCCSCc1ncccn1 62a_100000210211_100000703007 [0,0,0,1,0,0|3,0,0]=4 290 B12R1.8 CCCCSCc1ncccn1 62a_100000703007_100000210210 [0,0,0,1,0,0|3,0,0]=4 291 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [0,0,0,1,0,0|2,0,0]=3 292 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [0,0,0,1,0,0|2,0,0]=3 293 B12R1.8 CCCNCCc1cccnc1 2230a_100000736294_100000210303 [0,0,0,1,0,0|3,0,0]=4 294 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [0,0,0,1,0,0|2,0,0]=3 295 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [0,0,0,1,0,0|2,0,0]=3 296 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [0,0,0,1,0,0|2,0,0]=3 297 B12R1.8 CCCOCCc1ccccn1 34a_100000210271_100000210303 [0,0,0,1,0,0|2,0,0]=3 298 B12R1.8 CCCOCCc1cccnc1 34a_100011217484_100000210303 [0,0,0,1,0,0|3,0,0]=4 299 B12R1.8 CCCOCCc1ccncc1 34a_100011216225_100000210303 [0,0,0,1,0,0|3,0,0]=4 300 B12R1.8 CCCOCCc1cnccn1 34a_100011349526_100000210303 [0,0,0,1,0,0|3,0,0]=4 301 B12R1.8 CCCSCCc1ccccc1 62a_100000210303_100011218657 [0,0,0,1,0,0|2,0,0]=3 302 B12R1.8 CCCSCCc1ccccc1 62a_100000765856_100000210303 [0,0,0,1,0,0|2,0,0]=3 303 B12R1.8 CCCSCCc1ccccn1 62a_100000210303_100015183660 [0,0,0,1,0,0|2,0,0]=3 304 B12R1.8 CCCSCCc1ccccn1 62a_100015183660_100000210303 [0,0,0,1,0,0|2,0,0]=3 305 B12R1.8 CCCSCCc1cccnc1 62a_100000210303_200011713674 [0,0,0,1,0,0|3,0,0]=4 306 B12R1.8 CCCSCCc1cccnc1 62a_200011713674_100000210303 [0,0,0,1,0,0|3,0,0]=4 307 B12R1.8 CCCSCCc1ccncc1 62a_100000210303_100000723409 [0,0,0,1,0,0|3,0,0]=4 308 B12R1.8 CCCSCCc1ccncc1 62a_100000723409_100000210303 [0,0,0,1,0,0|3,0,0]=4 309 B12R1.8 CCCSCSc1ccccc1 62a_100000210303_100011218342 [0,0,0,1,0,0|3,0,0]=4 310 B12R1.8 CCCSCSc1ccccc1 62a_100011218342_100000210303 [0,0,0,1,0,0|3,0,0]=4 311 B12R1.8 CCNCCCc1ccccc1 2230a_100000211184_100000210202 [0,0,0,1,0,0|2,0,0]=3 312 B12R1.8 CCNCCCc1ccccc1 2230a_100015525214_100000211621 [0,0,0,1,0,0|2,0,0]=3 313 B12R1.8 CCNCCCc1ccccc1 34a_100000211184_100000210202 [0,0,0,1,0,0|2,0,0]=3 314 B12R1.8 CCNCCCc1cccnc1 2230a_100011532358_100000210202 [0,0,0,1,0,0|3,0,0]=4 315 B12R1.8 CCNCCCc1cccnc1 34a_100011532358_100000210202 [0,0,0,1,0,0|3,0,0]=4 316 B12R1.8 CCNCCCc1ccncc1 2230a_100011275580_100000210202 [0,0,0,1,0,0|3,0,0]=4 317 B12R1.8 CCNCCOc1ccccc1 2230a_100000174943_100000210202 [0,0,0,1,0,0|3,0,0]=4 318 B12R1.8 CCNCCOc1ccccc1 2230a_100015525214_100000184471 [0,0,0,1,0,0|3,0,0]=4 319 B12R1.8 CCNCCOc1ccccc1 270004a_100015525214_100000758736 [0,0,0,1,0,0|3,0,0]=4 320 B12R1.8 CCNCCOc1ccccc1 34a_100000174943_100000210202 [0,0,0,1,0,0|3,0,0]=4 321 B12R1.8 CCNCCOc1ccccn1 2230a_106741647558_100000210202 [0,0,0,1,0,0|3,0,0]=4 322 B12R1.8 CCNCCSc1ccccc1 2230a_100000189519_100000210202 [0,0,0,1,0,0|3,0,0]=4 323 B12R1.8 CCNCCSc1ccccc1 2230a_100015525214_100000246102 [0,0,0,1,0,0|3,0,0]=4 324 B12R1.8 CCNCOCc1ccccc1 2230a_100015525214_100000763385 [0,0,0,1,0,0|3,0,0]=4 325 B12R1.8 CCNCSCc1ccccc1 2230a_100015525214_200011217039 [0,0,0,1,0,0|3,0,0]=4 326 B12R1.8 CCOCCCC1=CCC=CC1 34a_100020667889_100000210202 [0,0,0,1,0,0|2,0,1]=4 327 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [0,0,0,1,0,0|2,0,0]=3 328 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [0,0,0,1,0,0|2,0,0]=3 329 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [0,0,0,1,0,0|2,0,0]=3 330 B12R1.8 CCOCCCc1ccccn1 34a_100011215068_100000210202 [0,0,0,1,0,0|2,0,0]=3 331 B12R1.8 CCOCCCc1cccnc1 34a_100000211284_100000210202 [0,0,0,1,0,0|3,0,0]=4 332 B12R1.8 CCOCCCc1ccncc1 34a_100000210659_100000210202 [0,0,0,1,0,0|3,0,0]=4 333 B12R1.8 CCOCCNc1ccccc1 34a_100000106764_100000210147 [0,0,0,1,0,0|3,0,0]=4 334 B12R1.8 CCOCCNc1ccccc1 34a_100000211345_100000210202 [0,0,0,1,0,0|3,0,0]=4 335 B12R1.8 CCOCCOc1ccccc1 34a_100000210260_100000210202 [0,0,0,1,0,0|3,0,0]=4 336 B12R1.8 CCOCCOc1ccccc1 34a_100000210340_100000210147 [0,0,0,1,0,0|3,0,0]=4 337 B12R1.8 CCOCCOc1ccccc1 34a_100121572206_100000184471 [0,0,0,1,0,0|3,0,0]=4 338 B12R1.8 CCOCCOc1ccccc1 7a_100000210260_100000210202 [0,0,0,1,0,0|3,0,0]=4 339 B12R1.8 CCOCCOc1ccccc1 7a_100000210340_100011215890 [0,0,0,1,0,0|3,0,0]=4 340 B12R1.8 CCOCCSc1ccccc1 34a_100121572206_100000246102 [0,0,0,1,0,0|3,0,0]=4 341 B12R1.8 CCOCCSc1ccccc1 62a_100000210147_100000041952 [0,0,0,1,0,0|3,0,0]=4 342 B12R1.8 CCOCCSc1ccccc1 62a_100000719477_100011215890 [0,0,0,1,0,0|3,0,0]=4 343 B12R1.8 CCOCCSc1ccccc1 7a_100000230494_100000210202 [0,0,0,1,0,0|3,0,0]=4 344 B12R1.8 CCOCCSc1ccccn1 62a_100000210147_100011216584 [0,0,0,1,0,0|3,0,0]=4 345 B12R1.8 CCOCCSc1ccccn1 62a_100011216584_100011215890 [0,0,0,1,0,0|3,0,0]=4 346 B12R1.8 CCOCCSc1ccccn1 7a_100000156319_100000210202 [0,0,0,1,0,0|3,0,0]=4 347 B12R1.8 CCOCOCc1ccccc1 34a_100121572206_100000763385 [0,0,0,1,0,0|3,0,0]=4 348 B12R1.8 CCOCSCc1ccccc1 34a_100121572206_200011217039 [0,0,0,1,0,0|3,0,0]=4 349 B12R1.8 CCOCSCc1ccccc1 62a_100000211182_100000739092 [0,0,0,1,0,0|3,0,0]=4 350 B12R1.8 CCOCSCc1ccccc1 62a_100000739092_100015291786 [0,0,0,1,0,0|3,0,0]=4 351 B12R1.8 CCOCSCc1ccccn1 62a_100000721315_100000739092 [0,0,0,1,0,0|3,0,0]=4 352 B12R1.8 CCOCSCc1ccccn1 62a_100000739092_100000721315 [0,0,0,1,0,0|3,0,0]=4 353 B12R1.8 CCSCCCc1ccccc1 62a_100000210202_100000211621 [0,0,0,1,0,0|2,0,0]=3 354 B12R1.8 CCSCCCc1ccccc1 62a_100000211621_100000210202 [0,0,0,1,0,0|2,0,0]=3 355 B12R1.8 CCSCCNc1ccccc1 34a_100000106764_100000757381 [0,0,0,1,0,0|3,0,0]=4 356 B12R1.8 CCSCCOc1ccccc1 34a_100000210340_100000757381 [0,0,0,1,0,0|3,0,0]=4 357 B12R1.8 CCSCCOc1ccccc1 62a_100000184471_100000210202 [0,0,0,1,0,0|3,0,0]=4 358 B12R1.8 CCSCCOc1ccccc1 62a_100000210202_100000184471 [0,0,0,1,0,0|3,0,0]=4 359 B12R1.8 CCSCCOc1ccccc1 7a_100000210340_100000757381 [0,0,0,1,0,0|3,0,0]=4 360 B12R1.8 CCSCCSc1ccccc1 62a_100000210202_100000246102 [0,0,0,1,0,0|3,0,0]=4 361 B12R1.8 CCSCCSc1ccccc1 62a_100000246102_100000210202 [0,0,0,1,0,0|3,0,0]=4 362 B12R1.8 CCSCCSc1ccccc1 62a_100000719477_100000757381 [0,0,0,1,0,0|3,0,0]=4 363 B12R1.8 CCSCCSc1ccccc1 62a_100000757381_100000041952 [0,0,0,1,0,0|3,0,0]=4 364 B12R1.8 CCSCCSc1ccccn1 62a_100000757381_100011216584 [0,0,0,1,0,0|3,0,0]=4 365 B12R1.8 CCSCCSc1ccccn1 62a_100011216584_100000757381 [0,0,0,1,0,0|3,0,0]=4 366 B12R1.8 CCSCOCc1ccccc1 62a_100000210202_100000763385 [0,0,0,1,0,0|3,0,0]=4 367 B12R1.8 CCSCOCc1ccccc1 62a_100000763385_100000210202 [0,0,0,1,0,0|3,0,0]=4 368 B12R1.8 CCSCSCc1ccccc1 62a_100000210202_200011217039 [0,0,0,1,0,0|3,0,0]=4 369 B12R1.8 CCSCSCc1ccccc1 62a_200011217039_100000210202 [0,0,0,1,0,0|3,0,0]=4 370 B12R1.8 CNCCCCc1ccccc1 2230a_100015280158_200000210301 [0,0,0,1,0,0|2,0,0]=3 371 B12R1.8 CNCCCCc1ccccc1 2230a_106832991635_100000701786 [0,0,0,1,0,0|2,0,0]=3 372 B12R1.8 CNCCCCc1ccccc1 34a_100015280158_200000210301 [0,0,0,1,0,0|2,0,0]=3 373 B12R1.8 CNCCCCc1ccccc1 34a_100102657272_100000701786 [0,0,0,1,0,0|2,0,0]=3 374 B12R1.8 CNCCCCc1ccccc1 7a_106832991635_100000701786 [0,0,0,1,0,0|2,0,0]=3 375 B12R1.8 CNCCCCc1ccncc1 2230a_106832991635_100020630000 [0,0,0,1,0,0|3,0,0]=4 376 B12R1.8 CNCCCCc1ccncc1 7a_106832991635_100020630000 [0,0,0,1,0,0|3,0,0]=4 377 B12R1.8 CNCCCOc1ccccc1 2230a_100000216521_200000210301 [0,0,0,1,0,0|3,0,0]=4 378 B12R1.8 CNCCCOc1ccccc1 2230a_106832991635_100000199009 [0,0,0,1,0,0|3,0,0]=4 379 B12R1.8 CNCCCOc1ccccc1 34a_100000216521_200000210301 [0,0,0,1,0,0|3,0,0]=4 380 B12R1.8 CNCCCOc1ccccc1 34a_100102657272_100000199009 [0,0,0,1,0,0|3,0,0]=4 381 B12R1.8 CNCCCOc1ccccc1 7a_106832991635_100000199009 [0,0,0,1,0,0|3,0,0]=4 382 B12R1.8 CNCCCSc1ccccc1 2230a_100000184639_200000210301 [0,0,0,1,0,0|3,0,0]=4 383 B12R1.8 CNCCCSc1ccccc1 2230a_106832991635_200011203293 [0,0,0,1,0,0|3,0,0]=4 384 B12R1.8 CNCCCSc1ccccc1 34a_100102657272_200011203293 [0,0,0,1,0,0|3,0,0]=4 385 B12R1.8 CNCCCSc1ccccc1 7a_106832991635_200011203293 [0,0,0,1,0,0|3,0,0]=4 386 B12R1.8 CNCCOCc1ccccc1 2230a_100000753106_200000210301 [0,0,0,1,0,0|3,0,0]=4 387 B12R1.8 CNCCOCc1ccccc1 2230a_106832991635_100000234347 [0,0,0,1,0,0|3,0,0]=4 388 B12R1.8 CNCCOCc1ccccc1 34a_100000753106_200000210301 [0,0,0,1,0,0|3,0,0]=4 389 B12R1.8 CNCCOCc1ccccc1 34a_100102657272_100000234347 [0,0,0,1,0,0|3,0,0]=4 390 B12R1.8 CNCCOCc1ccccc1 7a_106832991635_100000234347 [0,0,0,1,0,0|3,0,0]=4 391 B12R1.8 CNCCSCc1ccccc1 2230a_100000189534_200000210301 [0,0,0,1,0,0|3,0,0]=4 392 B12R1.8 CNCCSCc1ccccc1 2230a_106832991635_200011297719 [0,0,0,1,0,0|3,0,0]=4 393 B12R1.8 CNCCSCc1ccccc1 34a_100000189534_200000210301 [0,0,0,1,0,0|3,0,0]=4 394 B12R1.8 CNCCSCc1ccccc1 34a_100102657272_200011297719 [0,0,0,1,0,0|3,0,0]=4 395 B12R1.8 CNCCSCc1ccccc1 7a_100000189534_200000210301 [0,0,0,1,0,0|3,0,0]=4 396 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [0,0,0,1,0,0|2,0,0]=3 397 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [0,0,0,1,0,0|2,0,0]=3 398 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [0,0,0,1,0,0|2,0,0]=3 399 B12R1.8 COCCCCc1ccccn1 34a_100012186994_200000210301 [0,0,0,1,0,0|2,0,0]=3 400 B12R1.8 COCCCCc1cccnc1 34a_100012039607_200000210301 [0,0,0,1,0,0|3,0,0]=4 401 B12R1.8 COCCCCc1cccnc1 7a_100012039607_200000210301 [0,0,0,1,0,0|3,0,0]=4 402 B12R1.8 COCCCCc1ccncc1 34a_100011787716_200000210301 [0,0,0,1,0,0|3,0,0]=4 403 B12R1.8 COCCCNc1ccccc1 34a_100000106764_100000740836 [0,0,0,1,0,0|3,0,0]=4 404 B12R1.8 COCCCNc1ccccc1 34a_100000212590_200000210301 [0,0,0,1,0,0|3,0,0]=4 405 B12R1.8 COCCCOc1ccccc1 34a_100000210340_100000740836 [0,0,0,1,0,0|3,0,0]=4 406 B12R1.8 COCCCOc1ccccc1 34a_100011215863_200000210301 [0,0,0,1,0,0|3,0,0]=4 407 B12R1.8 COCCCOc1ccccc1 34a_100138415774_100000199009 [0,0,0,1,0,0|3,0,0]=4 408 B12R1.8 COCCCOc1ccccc1 7a_100000210340_100000740836 [0,0,0,1,0,0|3,0,0]=4 409 B12R1.8 COCCCOc1ccccc1 7a_100011215863_200000210301 [0,0,0,1,0,0|3,0,0]=4 410 B12R1.8 COCCCSc1ccccc1 34a_100138415774_200011203293 [0,0,0,1,0,0|3,0,0]=4 411 B12R1.8 COCCCSc1ccccc1 62a_100000709357_100000041952 [0,0,0,1,0,0|3,0,0]=4 412 B12R1.8 COCCCSc1ccccc1 62a_100000719477_100000709357 [0,0,0,1,0,0|3,0,0]=4 413 B12R1.8 COCCCSc1ccccn1 62a_100000709357_100011216584 [0,0,0,1,0,0|3,0,0]=4 414 B12R1.8 COCCCSc1ccccn1 62a_100011216584_100000709357 [0,0,0,1,0,0|3,0,0]=4 415 B12R1.8 COCCNCc1ccccc1 207a_100000209980_100015611070 [0,0,0,1,0,0|3,0,0]=4 416 B12R1.8 COCCNCc1ccccc1 2230a_100000209980_100015291786 [0,0,0,1,0,0|3,0,0]=4 417 B12R1.8 COCCNCc1ccccc1 2230a_100015324214_100011201679 [0,0,0,1,0,0|3,0,0]=4 418 B12R1.8 COCCNCc1ccccc1 270004a_100000209980_100015611070 [0,0,0,1,0,0|3,0,0]=4 419 B12R1.8 COCCNCc1ccccc1 34a_100000180844_200000210301 [0,0,0,1,0,0|3,0,0]=4 420 B12R1.8 COCCNCc1ccccc1 34a_100015324214_100011201679 [0,0,0,1,0,0|3,0,0]=4 421 B12R1.8 COCCNCc1ccccn1 207a_100000209980_100000209966 [0,0,0,1,0,0|3,0,0]=4 422 B12R1.8 COCCNCc1ccccn1 2230a_100000209980_100000721315 [0,0,0,1,0,0|3,0,0]=4 423 B12R1.8 COCCNCc1ccccn1 270004a_100000209980_100000209966 [0,0,0,1,0,0|3,0,0]=4 424 B12R1.8 COCCOCc1ccccc1 34a_100000210237_100015291786 [0,0,0,1,0,0|3,0,0]=4 425 B12R1.8 COCCOCc1ccccc1 34a_100000210790_100011201679 [0,0,0,1,0,0|3,0,0]=4 426 B12R1.8 COCCOCc1ccccc1 34a_100000759325_200000210301 [0,0,0,1,0,0|3,0,0]=4 427 B12R1.8 COCCOCc1ccccc1 34a_100138415774_100000234347 [0,0,0,1,0,0|3,0,0]=4 428 B12R1.8 COCCOCc1ccccc1 7a_100000210790_100000233755 [0,0,0,1,0,0|3,0,0]=4 429 B12R1.8 COCCOCc1ccccc1 7a_100000759325_200000210301 [0,0,0,1,0,0|3,0,0]=4 430 B12R1.8 COCCOCc1ccccn1 34a_100000210237_100000721315 [0,0,0,1,0,0|3,0,0]=4 431 B12R1.8 COCCSCc1ccccc1 34a_100011205989_200000210301 [0,0,0,1,0,0|3,0,0]=4 432 B12R1.8 COCCSCc1ccccc1 34a_100138415774_200011297719 [0,0,0,1,0,0|3,0,0]=4 433 B12R1.8 COCCSCc1ccccc1 62a_100000211182_100000233755 [0,0,0,1,0,0|3,0,0]=4 434 B12R1.8 COCCSCc1ccccc1 62a_100000233755_100015291786 [0,0,0,1,0,0|3,0,0]=4 435 B12R1.8 COCCSCc1ccccc1 7a_100011205989_200000210301 [0,0,0,1,0,0|3,0,0]=4 436 B12R1.8 COCCSCc1ccccn1 62a_100000233755_100000721315 [0,0,0,1,0,0|3,0,0]=4 437 B12R1.8 COCCSCc1ccccn1 62a_100000721315_100000233755 [0,0,0,1,0,0|3,0,0]=4 438 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [0,0,0,1,0,0|3,0,0]=4 439 B12R1.8 COCSCCc1ccccc1 62a_100000765856_100000766300 [0,0,0,1,0,0|3,0,0]=4 440 B12R1.8 COCSCCc1ccccc1 62a_100000766300_100011218657 [0,0,0,1,0,0|3,0,0]=4 441 B12R1.8 COCSCCc1ccccn1 62a_100000766300_100015183660 [0,0,0,1,0,0|3,0,0]=4 442 B12R1.8 COCSCCc1ccccn1 62a_100015183660_100000766300 [0,0,0,1,0,0|3,0,0]=4 443 B12R1.8 CSCCCCc1ccccc1 62a_100000701786_200000210301 [0,0,0,1,0,0|2,0,0]=3 444 B12R1.8 CSCCCCc1ccccc1 62a_200000210301_100000701786 [0,0,0,1,0,0|2,0,0]=3 445 B12R1.8 CSCCCCc1ccncc1 62a_100020630000_200000210301 [0,0,0,1,0,0|3,0,0]=4 446 B12R1.8 CSCCCCc1ccncc1 62a_200000210301_100020630000 [0,0,0,1,0,0|3,0,0]=4 447 B12R1.8 CSCCCOc1ccccc1 62a_100000199009_200000210301 [0,0,0,1,0,0|3,0,0]=4 448 B12R1.8 CSCCCOc1ccccc1 62a_200000210301_100000199009 [0,0,0,1,0,0|3,0,0]=4 449 B12R1.8 CSCCCSc1ccccc1 62a_200000210301_200011203293 [0,0,0,1,0,0|3,0,0]=4 450 B12R1.8 CSCCCSc1ccccc1 62a_200011203293_200000210301 [0,0,0,1,0,0|3,0,0]=4 451 B12R1.8 CSCCNCc1ccccc1 207a_100020590264_100015611070 [0,0,0,1,0,0|3,0,0]=4 452 B12R1.8 CSCCNCc1ccccc1 2230a_100015324214_100000751147 [0,0,0,1,0,0|3,0,0]=4 453 B12R1.8 CSCCNCc1ccccc1 2230a_100020590264_100015291786 [0,0,0,1,0,0|3,0,0]=4 454 B12R1.8 CSCCNCc1ccccc1 270004a_100020590264_100015611070 [0,0,0,1,0,0|3,0,0]=4 455 B12R1.8 CSCCNCc1ccccc1 34a_100015324214_100000212216 [0,0,0,1,0,0|3,0,0]=4 456 B12R1.8 CSCCNCc1ccccn1 207a_100020590264_100000209966 [0,0,0,1,0,0|3,0,0]=4 457 B12R1.8 CSCCNCc1ccccn1 2230a_100020590264_100000721315 [0,0,0,1,0,0|3,0,0]=4 458 B12R1.8 CSCCNCc1ccccn1 270004a_100020590264_100000209966 [0,0,0,1,0,0|3,0,0]=4 459 B12R1.8 CSCCOCc1ccccc1 34a_100000210790_100000212216 [0,0,0,1,0,0|3,0,0]=4 460 B12R1.8 CSCCOCc1ccccc1 34a_100000230434_100015291786 [0,0,0,1,0,0|3,0,0]=4 461 B12R1.8 CSCCOCc1ccccc1 62a_100000234347_200000210301 [0,0,0,1,0,0|3,0,0]=4 462 B12R1.8 CSCCOCc1ccccc1 62a_200000210301_100000234347 [0,0,0,1,0,0|3,0,0]=4 463 B12R1.8 CSCCOCc1ccccc1 7a_100000210790_100000212216 [0,0,0,1,0,0|3,0,0]=4 464 B12R1.8 CSCCOCc1ccccc1 7a_100000230434_100000211182 [0,0,0,1,0,0|3,0,0]=4 465 B12R1.8 CSCCOCc1ccccn1 34a_100000230434_100000721315 [0,0,0,1,0,0|3,0,0]=4 466 B12R1.8 CSCCOCc1ccccn1 7a_100000230434_100000721315 [0,0,0,1,0,0|3,0,0]=4 467 B12R1.8 CSCCSCc1ccccc1 62a_100000211182_100000751147 [0,0,0,1,0,0|3,0,0]=4 468 B12R1.8 CSCCSCc1ccccc1 62a_100000212216_100015291786 [0,0,0,1,0,0|3,0,0]=4 469 B12R1.8 CSCCSCc1ccccc1 62a_200000210301_200011297719 [0,0,0,1,0,0|3,0,0]=4 470 B12R1.8 CSCCSCc1ccccc1 62a_200011297719_200000210301 [0,0,0,1,0,0|3,0,0]=4 471 B12R1.8 CSCCSCc1ccccn1 62a_100000212216_100000721315 [0,0,0,1,0,0|3,0,0]=4 472 B12R1.8 CSCCSCc1ccccn1 62a_100000721315_100000751147 [0,0,0,1,0,0|3,0,0]=4 473 B12R1.8 CSCNCCc1ccccc1 2230a_100000106460_100011218213 [0,0,0,1,0,0|3,0,0]=4 474 B12R1.8 CSCNCCc1ccccc1 34a_100000106460_100011218213 [0,0,0,1,0,0|3,0,0]=4 475 B12R1.8 CSCOCCc1ccccc1 34a_100000210268_100011218213 [0,0,0,1,0,0|3,0,0]=4 476 B12R1.8 CSCOCCc1ccccn1 34a_100000210271_100011218213 [0,0,0,1,0,0|3,0,0]=4 477 B12R1.8 CSCSCCc1ccccc1 62a_100000765856_100011218213 [0,0,0,1,0,0|3,0,0]=4 478 B12R1.8 CSCSCCc1ccccc1 62a_100011218213_100011218657 [0,0,0,1,0,0|3,0,0]=4 479 B12R1.8 CSCSCCc1ccccn1 62a_100011218213_100015183660 [0,0,0,1,0,0|3,0,0]=4 480 B12R1.8 CSCSCCc1ccccn1 62a_100015183660_100011218213 [0,0,0,1,0,0|3,0,0]=4 481 B12R1.8 ClCCCOCc1ccccc1 34a_100000230001_100015291786 [0,0,0,1,0,0|3,0,0]=4 482 B12R1.8 ClCCCOCc1ccccn1 34a_100000230001_100000721315 [0,0,0,1,0,0|3,0,0]=4 483 B12R1.8 FCCCCNc1ccccc1 34a_100000106764_100000729493 [0,0,0,1,0,0|3,0,0]=4 484 B12R1.8 FCCCCOc1ccccc1 34a_100000210340_100000729493 [0,0,0,1,0,0|3,0,0]=4 485 B12R1.8 FCCCCOc1ccccc1 7a_100000210340_100000729493 [0,0,0,1,0,0|3,0,0]=4 486 B12R1.8 FCCCCSc1ccccc1 62a_100000719477_100000729493 [0,0,0,1,0,0|3,0,0]=4 487 B12R1.8 FCCCCSc1ccccc1 62a_100000729493_100000041952 [0,0,0,1,0,0|3,0,0]=4 488 B12R1.8 FCCCCSc1ccccn1 62a_100000729493_100011216584 [0,0,0,1,0,0|3,0,0]=4 489 B12R1.8 FCCCCSc1ccccn1 62a_100011216584_100000729493 [0,0,0,1,0,0|3,0,0]=4 490 B12R1.8 FCCCNCc1ccccc1 207a_100015189416_100015611070 [0,0,0,1,0,0|3,0,0]=4 491 B12R1.8 FCCCNCc1ccccc1 2230a_100015189416_100015291786 [0,0,0,1,0,0|3,0,0]=4 492 B12R1.8 FCCCNCc1ccccc1 2230a_100015324214_100011934791 [0,0,0,1,0,0|3,0,0]=4 493 B12R1.8 FCCCNCc1ccccc1 270004a_100015189416_100015611070 [0,0,0,1,0,0|3,0,0]=4 494 B12R1.8 FCCCNCc1ccccc1 34a_100015189416_100015291786 [0,0,0,1,0,0|3,0,0]=4 495 B12R1.8 FCCCNCc1ccccc1 34a_100015324214_100011934791 [0,0,0,1,0,0|3,0,0]=4 496 B12R1.8 FCCCNCc1ccccn1 207a_100015189416_100000209966 [0,0,0,1,0,0|3,0,0]=4 497 B12R1.8 FCCCNCc1ccccn1 2230a_100015189416_100000721315 [0,0,0,1,0,0|3,0,0]=4 498 B12R1.8 FCCCNCc1ccccn1 270004a_100015189416_100000209966 [0,0,0,1,0,0|3,0,0]=4 499 B12R1.8 FCCCNCc1ccccn1 34a_100015189416_100000721315 [0,0,0,1,0,0|3,0,0]=4 500 B12R1.8 FCCCOCc1ccccc1 34a_100000210790_100011934791 [0,0,0,1,0,0|3,0,0]=4 501 B12R1.8 FCCCOCc1ccccc1 34a_100000759539_100015291786 [0,0,0,1,0,0|3,0,0]=4 502 B12R1.8 FCCCOCc1ccccc1 7a_100000210790_100011934791 [0,0,0,1,0,0|3,0,0]=4 503 B12R1.8 FCCCOCc1ccccn1 34a_100000759539_100000721315 [0,0,0,1,0,0|3,0,0]=4 504 B12R1.8 FCCCSCc1ccccc1 62a_100000211182_100011934791 [0,0,0,1,0,0|3,0,0]=4 505 B12R1.8 FCCCSCc1ccccc1 62a_100011934791_100015291786 [0,0,0,1,0,0|3,0,0]=4 506 B12R1.8 FCCCSCc1ccccn1 62a_100000721315_100011934791 [0,0,0,1,0,0|3,0,0]=4 507 B12R1.8 FCCCSCc1ccccn1 62a_100011934791_100000721315 [0,0,0,1,0,0|3,0,0]=4 508 B12R1.8 FCCNCCc1ccccc1 2230a_100000106460_100011217306 [0,0,0,1,0,0|3,0,0]=4 509 B12R1.8 FCCNCCc1ccccc1 34a_100000106460_100011217306 [0,0,0,1,0,0|3,0,0]=4 510 B12R1.8 FCCNCCc1ccccc1 34a_100000724931_100000765856 [0,0,0,1,0,0|3,0,0]=4 511 B12R1.8 FCCOCCc1ccccc1 34a_100000210268_100011217306 [0,0,0,1,0,0|3,0,0]=4 512 B12R1.8 FCCOCCc1ccccc1 7a_100000210268_100011217306 [0,0,0,1,0,0|3,0,0]=4 513 B12R1.8 FCCOCCc1ccccn1 34a_100000210271_100011217306 [0,0,0,1,0,0|3,0,0]=4 514 B12R1.8 FCCSCCc1ccccc1 62a_100000765856_100011217306 [0,0,0,1,0,0|3,0,0]=4 515 B12R1.8 FCCSCCc1ccccc1 62a_100011217306_100011218657 [0,0,0,1,0,0|3,0,0]=4 516 B12R1.8 FCCSCCc1ccccn1 62a_100011217306_100015183660 [0,0,0,1,0,0|3,0,0]=4 517 B12R1.8 FCCSCCc1ccccn1 62a_100015183660_100011217306 [0,0,0,1,0,0|3,0,0]=4 518 B12R1.8 FCNCCCc1ccccc1 34a_100000211184_100015361967 [0,0,0,1,0,0|3,0,0]=4 519 B12R1.8 FCOCCCc1ccccc1 34a_100000210828_100015361967 [0,0,0,1,0,0|3,0,0]=4 520 B12R1.8 FCOCCCc1ccccc1 7a_100000210828_100015361967 [0,0,0,1,0,0|3,0,0]=4 521 B12R1.8 FCOCCCc1ccccn1 34a_100011215068_100015361967 [0,0,0,1,0,0|3,0,0]=4 522 B12R1.8 FCSCCCc1ccccc1 62a_100000211621_100015361967 [0,0,0,1,0,0|3,0,0]=4 523 B12R1.8 FCSCCCc1ccccc1 62a_100015361967_100000211621 [0,0,0,1,0,0|3,0,0]=4 524 B12R1.8 NCCCOCc1ccccc1 34a_100000182051_100015291786 [0,0,0,1,0,0|3,0,0]=4 525 B12R1.8 NCCCOCc1ccccn1 34a_100000182051_100000721315 [0,0,0,1,0,0|3,0,0]=4 526 B12R1.8 NCCOCCc1ccccc1 34a_100000210304_100000765856 [0,0,0,1,0,0|3,0,0]=4 527 B12R1.8 OCCCCNc1ccccc1 34a_100000106764_100011216708 [0,0,0,1,0,0|3,0,0]=4 528 B12R1.8 OCCCCOc1ccccc1 34a_100000210340_100011216708 [0,0,0,1,0,0|3,0,0]=4 529 B12R1.8 OCCCCOc1ccccc1 7a_100000210340_100000210776 [0,0,0,1,0,0|3,0,0]=4 530 B12R1.8 OCCCCSc1ccccc1 62a_100000210776_100000041952 [0,0,0,1,0,0|3,0,0]=4 531 B12R1.8 OCCCCSc1ccccc1 62a_100000719477_100000210776 [0,0,0,1,0,0|3,0,0]=4 532 B12R1.8 OCCCCSc1ccccn1 62a_100000210776_100011216584 [0,0,0,1,0,0|3,0,0]=4 533 B12R1.8 OCCCCSc1ccccn1 62a_100011216584_100000210776 [0,0,0,1,0,0|3,0,0]=4 534 B12R1.8 OCCCNCc1ccccc1 207a_100000182051_100015611070 [0,0,0,1,0,0|3,0,0]=4 535 B12R1.8 OCCCNCc1ccccc1 2230a_100015324214_100000230001 [0,0,0,1,0,0|3,0,0]=4 536 B12R1.8 OCCCNCc1ccccc1 270004a_100000182051_100015611070 [0,0,0,1,0,0|3,0,0]=4 537 B12R1.8 OCCCNCc1ccccc1 34a_100015324214_100000230001 [0,0,0,1,0,0|3,0,0]=4 538 B12R1.8 OCCCNCc1ccccn1 207a_100000182051_100000209966 [0,0,0,1,0,0|3,0,0]=4 539 B12R1.8 OCCCNCc1ccccn1 270004a_100000182051_100000209966 [0,0,0,1,0,0|3,0,0]=4 540 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [0,0,0,1,0,0|3,0,0]=4 541 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [0,0,0,1,0,0|3,0,0]=4 542 B12R1.8 OCCCSCc1ccccc1 62a_100000211182_100011215043 [0,0,0,1,0,0|3,0,0]=4 543 B12R1.8 OCCCSCc1ccccc1 62a_100011215043_100015291786 [0,0,0,1,0,0|3,0,0]=4 544 B12R1.8 OCCCSCc1ccccn1 62a_100000721315_100011215043 [0,0,0,1,0,0|3,0,0]=4 545 B12R1.8 OCCCSCc1ccccn1 62a_100011215043_100000721315 [0,0,0,1,0,0|3,0,0]=4 546 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [0,0,0,1,0,0|3,0,0]=4 547 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [0,0,0,1,0,0|3,0,0]=4 548 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [0,0,0,1,0,0|3,0,0]=4 549 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [0,0,0,1,0,0|3,0,0]=4 550 B12R1.8 OCCNCCc1ccccn1 2230a_100016997473_100015183660 [0,0,0,1,0,0|3,0,0]=4 551 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [0,0,0,1,0,0|3,0,0]=4 552 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [0,0,0,1,0,0|3,0,0]=4 553 B12R1.8 OCCOCCc1ccccn1 34a_100000210271_100000211926 [0,0,0,1,0,0|3,0,0]=4 554 B12R1.8 OCCSCCc1ccccc1 62a_100000211926_100011218657 [0,0,0,1,0,0|3,0,0]=4 555 B12R1.8 OCCSCCc1ccccc1 62a_100000765856_100000211926 [0,0,0,1,0,0|3,0,0]=4 556 B12R1.8 OCCSCCc1ccccn1 62a_100000211926_100015183660 [0,0,0,1,0,0|3,0,0]=4 557 B12R1.8 OCCSCCc1ccccn1 62a_100015183660_100000211926 [0,0,0,1,0,0|3,0,0]=4 558 B12R1.8 [13CH3]NCCCCc1ccccc1 2230a_100015280158_200025704644 [0,0,0,1,0,0|2,0,0]=3 559 B12R1.8 [13CH3]NCCCCc1ccccc1 34a_100015280158_200025704644 [0,0,0,1,0,0|2,0,0]=3 560 B12R1.8 [13CH3]NCCCOc1ccccc1 2230a_100000216521_200025704644 [0,0,0,1,0,0|3,0,0]=4 561 B12R1.8 [13CH3]NCCCOc1ccccc1 34a_100000216521_200025704644 [0,0,0,1,0,0|3,0,0]=4 562 B12R1.8 [13CH3]NCCCSc1ccccc1 2230a_100000184639_200025704644 [0,0,0,1,0,0|3,0,0]=4 563 B12R1.8 [13CH3]NCCOCc1ccccc1 2230a_100000753106_200025704644 [0,0,0,1,0,0|3,0,0]=4 564 B12R1.8 [13CH3]NCCOCc1ccccc1 34a_100000753106_200025704644 [0,0,0,1,0,0|3,0,0]=4 565 B12R1.8 [13CH3]NCCSCc1ccccc1 2230a_100000189534_200025704644 [0,0,0,1,0,0|3,0,0]=4 566 B12R1.8 [13CH3]NCCSCc1ccccc1 34a_100000189534_200025704644 [0,0,0,1,0,0|3,0,0]=4 567 B12R1.8 [13CH3]NCCSCc1ccccc1 7a_100000189534_200025704644 [0,0,0,1,0,0|3,0,0]=4 568 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [0,0,0,1,0,0|2,0,0]=3 569 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [0,0,0,1,0,0|2,0,0]=3 570 B12R1.8 [13CH3]OCCCCc1ccccn1 34a_100012186994_200025704644 [0,0,0,1,0,0|2,0,0]=3 571 B12R1.8 [13CH3]OCCCCc1cccnc1 34a_100012039607_200025704644 [0,0,0,1,0,0|3,0,0]=4 572 B12R1.8 [13CH3]OCCCCc1cccnc1 7a_100012039607_200025704644 [0,0,0,1,0,0|3,0,0]=4 573 B12R1.8 [13CH3]OCCCCc1ccncc1 34a_100011787716_200025704644 [0,0,0,1,0,0|3,0,0]=4 574 B12R1.8 [13CH3]OCCCNc1ccccc1 34a_100000212590_200025704644 [0,0,0,1,0,0|3,0,0]=4 575 B12R1.8 [13CH3]OCCCOc1ccccc1 34a_100011215863_200025704644 [0,0,0,1,0,0|3,0,0]=4 576 B12R1.8 [13CH3]OCCCOc1ccccc1 7a_100011215863_200025704644 [0,0,0,1,0,0|3,0,0]=4 577 B12R1.8 [13CH3]OCCNCc1ccccc1 34a_100000180844_200025704644 [0,0,0,1,0,0|3,0,0]=4 578 B12R1.8 [13CH3]OCCOCc1ccccc1 34a_100000759325_200025704644 [0,0,0,1,0,0|3,0,0]=4 579 B12R1.8 [13CH3]OCCOCc1ccccc1 7a_100000759325_200025704644 [0,0,0,1,0,0|3,0,0]=4 580 B12R1.8 [13CH3]OCCSCc1ccccc1 34a_100011205989_200025704644 [0,0,0,1,0,0|3,0,0]=4 581 B12R1.8 [13CH3]OCCSCc1ccccc1 7a_100011205989_200025704644 [0,0,0,1,0,0|3,0,0]=4 582 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_100000701786_200025704644 [0,0,0,1,0,0|2,0,0]=3 583 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_200025704644_100000701786 [0,0,0,1,0,0|2,0,0]=3 584 B12R1.8 [13CH3]SCCCCc1ccncc1 62a_100020630000_200025704644 [0,0,0,1,0,0|3,0,0]=4 585 B12R1.8 [13CH3]SCCCCc1ccncc1 62a_200025704644_100020630000 [0,0,0,1,0,0|3,0,0]=4 586 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_100000199009_200025704644 [0,0,0,1,0,0|3,0,0]=4 587 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_200025704644_100000199009 [0,0,0,1,0,0|3,0,0]=4 588 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200011203293_200025704644 [0,0,0,1,0,0|3,0,0]=4 589 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200025704644_200011203293 [0,0,0,1,0,0|3,0,0]=4 590 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_100000234347_200025704644 [0,0,0,1,0,0|3,0,0]=4 591 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_200025704644_100000234347 [0,0,0,1,0,0|3,0,0]=4 592 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200011297719_200025704644 [0,0,0,1,0,0|3,0,0]=4 593 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200025704644_200011297719 [0,0,0,1,0,0|3,0,0]=4 594 B12R1.18 CCCOc1cccccc1=O 34a_100000036025_100000210303 [0,0,0,1,0,0|1,0,2]=4 595 B12R1.18 CCCOc1cccccc1=O 7a_100000036025_100000210303 [0,0,0,1,0,0|1,0,2]=4 596 B12R1.37 C/C=C/C=C/COC1CCCC1 34a_100016283227_100000179811 [0,0,0,1,0,0|2,0,1]=4 597 B12R1.37 CCCCCC=Cc1c[nH]cn1 271570a_100000062253_100000756875 [0,0,0,1,0,0|2,0,1]=4 598 B12R1.37 CCCCCC=Cc1cc[nH]n1 271570a_100000062253_100000062575 [0,0,0,1,0,0|2,0,1]=4 599 B12R1.37 CCCCCC=Cc1ccco1 271570a_100000062253_100009814098 [0,0,0,1,0,0|0,0,2]=3 600 B12R1.37 CCCCCC=Cc1cccs1 271570a_100000062253_100011215356 [0,0,0,1,0,0|0,1,1]=3 601 B12R1.37 CCCCCC=Cc1ccoc1 271570a_100000062253_100011215275 [0,0,0,1,0,0|2,0,1]=4 602 B12R1.37 CCCCCC=Cc1ccsc1 271570a_100000062253_100000738268 [0,0,0,1,0,0|2,0,1]=4 603 B12R1.37 CCCCCC=Cc1ccsn1 271570a_100000062253_100009818082 [0,0,0,1,0,0|2,0,1]=4 604 B12R1.37 CCCCCC=Cc1cnco1 271570a_100000062253_100020591547 [0,0,0,1,0,0|1,0,2]=4 605 B12R1.37 CCCCCC=Cc1cncs1 271570a_100000062253_100011934649 [0,0,0,1,0,0|1,1,1]=4 606 B12R1.37 CCCCCC=Cc1cscn1 271570a_100000062253_100000751502 [0,0,0,1,0,0|2,0,1]=4 607 B12R1.37 CCCCCC=Cc1ncc[nH]1 271570a_100000062253_100025796157 [0,0,0,1,0,0|2,0,1]=4 608 B12R1.37 CCCCCC=Cc1ncco1 271570a_100000062253_100011787736 [0,0,0,1,0,0|1,0,2]=4 609 B12R1.37 CCCCCC=Cc1nccs1 271570a_100000062253_100000211983 [0,0,0,1,0,0|1,1,1]=4 610 B12R1.37 CCCCCCOc1ccsc1 34a_100000106738_100000210314 [0,0,0,1,0,0|3,0,0]=4 611 B12R1.37 CCCCCCOc1ccsc1 7a_100000106738_100000210314 [0,0,0,1,0,0|3,0,0]=4 612 B12R1.37 CCCCCCSc1c[nH]cn1 62a_100000210314_100000756875 [0,0,0,1,0,0|3,0,0]=4 613 B12R1.37 CCCCCCSc1c[nH]cn1 62a_100000756875_100000210757 [0,0,0,1,0,0|3,0,0]=4 614 B12R1.37 CCCCCCSc1cc[nH]n1 62a_100000062575_100000210757 [0,0,0,1,0,0|3,0,0]=4 615 B12R1.37 CCCCCCSc1cc[nH]n1 62a_100000210314_100000062575 [0,0,0,1,0,0|3,0,0]=4 616 B12R1.37 CCCCCCSc1ccco1 62a_100000210314_100009814098 [0,0,0,1,0,0|1,0,1]=3 617 B12R1.37 CCCCCCSc1ccco1 62a_100009814098_100000210757 [0,0,0,1,0,0|1,0,1]=3 618 B12R1.37 CCCCCCSc1cccs1 62a_100000210314_100011215356 [0,0,0,1,0,0|1,1,0]=3 619 B12R1.37 CCCCCCSc1cccs1 62a_100011215356_100000210757 [0,0,0,1,0,0|1,1,0]=3 620 B12R1.37 CCCCCCSc1ccoc1 62a_100000210314_100011215275 [0,0,0,1,0,0|3,0,0]=4 621 B12R1.37 CCCCCCSc1ccoc1 62a_100011215275_100000210757 [0,0,0,1,0,0|3,0,0]=4 622 B12R1.37 CCCCCCSc1ccon1 62a_100000210314_100009818083 [0,0,0,1,0,0|3,0,0]=4 623 B12R1.37 CCCCCCSc1ccon1 62a_100009818083_100000210757 [0,0,0,1,0,0|3,0,0]=4 624 B12R1.37 CCCCCCSc1ccsc1 62a_100000210314_100000738268 [0,0,0,1,0,0|3,0,0]=4 625 B12R1.37 CCCCCCSc1ccsc1 62a_100000738268_100000210757 [0,0,0,1,0,0|3,0,0]=4 626 B12R1.37 CCCCCCSc1ccsn1 62a_100000210314_100009818082 [0,0,0,1,0,0|3,0,0]=4 627 B12R1.37 CCCCCCSc1ccsn1 62a_100009818082_100000210757 [0,0,0,1,0,0|3,0,0]=4 628 B12R1.37 CCCCCCSc1cnco1 62a_100000210314_100020591547 [0,0,0,1,0,0|2,0,1]=4 629 B12R1.37 CCCCCCSc1cnco1 62a_100020591547_100000210757 [0,0,0,1,0,0|2,0,1]=4 630 B12R1.37 CCCCCCSc1cncs1 62a_100000210314_100011934649 [0,0,0,1,0,0|2,1,0]=4 631 B12R1.37 CCCCCCSc1cncs1 62a_100011934649_100000210757 [0,0,0,1,0,0|2,1,0]=4 632 B12R1.37 CCCCCCSc1cscn1 62a_100000210314_100000751502 [0,0,0,1,0,0|3,0,0]=4 633 B12R1.37 CCCCCCSc1cscn1 62a_100000751502_100000210757 [0,0,0,1,0,0|3,0,0]=4 634 B12R1.37 CCCCCCSc1ncc[nH]1 62a_100000210314_100025796157 [0,0,0,1,0,0|3,0,0]=4 635 B12R1.37 CCCCCCSc1ncc[nH]1 62a_100025796157_100000210757 [0,0,0,1,0,0|3,0,0]=4 636 B12R1.37 CCCCCCSc1ncco1 62a_100000210314_100011787736 [0,0,0,1,0,0|2,0,1]=4 637 B12R1.37 CCCCCCSc1ncco1 62a_100011787736_100000210757 [0,0,0,1,0,0|2,0,1]=4 638 B12R1.37 CCCCCCSc1nccs1 62a_100000210314_100000211983 [0,0,0,1,0,0|2,1,0]=4 639 B12R1.37 CCCCCCSc1nccs1 62a_100000211983_100000210757 [0,0,0,1,0,0|2,1,0]=4 640 B12R1.37 CCCCCNCc1ccco1 207a_100000209983_100000186105 [0,0,0,1,0,0|1,0,2]=4 641 B12R1.37 CCCCCNCc1ccco1 2230a_100000185738_100000210326 [0,0,0,1,0,0|1,0,2]=4 642 B12R1.37 CCCCCNCc1ccco1 270004a_100000209983_100000186105 [0,0,0,1,0,0|1,0,2]=4 643 B12R1.37 CCCCCNCc1ccco1 34a_100000185738_100000718602 [0,0,0,1,0,0|1,0,2]=4 644 B12R1.37 CCCCCNCc1cccs1 207a_100000209983_100000209959 [0,0,0,1,0,0|1,1,1]=4 645 B12R1.37 CCCCCNCc1cccs1 2230a_100000211653_100000210326 [0,0,0,1,0,0|1,1,1]=4 646 B12R1.37 CCCCCNCc1cccs1 270004a_100000209983_100000209959 [0,0,0,1,0,0|1,1,1]=4 647 B12R1.37 CCCCCOCc1ccco1 34a_100000210059_100000718602 [0,0,0,1,0,0|1,0,2]=4 648 B12R1.37 CCCCCOCc1cccs1 34a_100000211240_100000718602 [0,0,0,1,0,0|1,1,1]=4 649 B12R1.37 CCCCNCCc1ccco1 2230a_100000694680_100000210211 [0,0,0,1,0,0|1,0,2]=4 650 B12R1.37 CCCCNCCc1ccco1 34a_100000694680_100000210210 [0,0,0,1,0,0|1,0,2]=4 651 B12R1.37 CCCCNCCc1cccs1 2230a_100000102301_100000748579 [0,0,0,1,0,0|1,1,1]=4 652 B12R1.37 CCCCNCCc1cccs1 2230a_100000203755_100000210211 [0,0,0,1,0,0|1,1,1]=4 653 B12R1.37 CCCCNCCc1cccs1 34a_100000203755_100000210210 [0,0,0,1,0,0|1,1,1]=4 654 B12R1.37 CCCCNCCc1cccs1 7a_106832991798_100000748579 [0,0,0,1,0,0|1,1,1]=4 655 B12R1.37 CCCCNN=Cc1ccc[nH]1 4a_100025702795_100000211237 [0,0,0,1,0,0|3,0,0]=4 656 B12R1.37 CCCCNN=Cc1ccco1 4a_100025702795_100000186105 [0,0,0,1,0,0|2,0,1]=4 657 B12R1.37 CCCCNN=Cc1cccs1 4a_100025702795_100000209959 [0,0,0,1,0,0|2,1,0]=4 658 B12R1.37 CCCCOCCc1cccs1 34a_100000210227_100000748579 [0,0,0,1,0,0|1,1,1]=4 659 B12R1.37 CCCCOCCc1cccs1 34a_100011216825_100000210210 [0,0,0,1,0,0|1,1,1]=4 660 B12R1.37 CCCCOCCc1cccs1 7a_100000210227_100000748579 [0,0,0,1,0,0|1,1,1]=4 661 B12R1.37 CCCCOCCc1cccs1 7a_100011216825_100000210211 [0,0,0,1,0,0|1,1,1]=4 662 B12R1.37 CCCCOCSc1ccco1 62a_100009814098_100011995733 [0,0,0,1,0,0|2,0,1]=4 663 B12R1.37 CCCCOCSc1ccco1 62a_100011995733_100009814098 [0,0,0,1,0,0|2,0,1]=4 664 B12R1.37 CCCCOCSc1cccs1 62a_100011215356_100011995733 [0,0,0,1,0,0|2,1,0]=4 665 B12R1.37 CCCCOCSc1cccs1 62a_100011995733_100011215356 [0,0,0,1,0,0|2,1,0]=4 666 B12R1.37 CCCCSCCc1cccs1 62a_100000210211_100000748579 [0,0,0,1,0,0|1,1,1]=4 667 B12R1.37 CCCCSCCc1cccs1 62a_100000748579_100000210210 [0,0,0,1,0,0|1,1,1]=4 668 B12R1.37 CCCNCC=Cc1ccco1 270004a_100020643023_100000185671 [0,0,0,1,0,0|1,0,2]=4 669 B12R1.37 CCCOCCCc1cccs1 34a_100000210258_100010992444 [0,0,0,1,0,0|1,1,1]=4 670 B12R1.37 CCCOCCCc1cccs1 34a_100011713143_100000210303 [0,0,0,1,0,0|1,1,1]=4 671 B12R1.37 CCCOCCCc1cccs1 7a_100011713143_100000210303 [0,0,0,1,0,0|1,1,1]=4 672 B12R1.37 CCCOCCSc1ccco1 62a_100009814098_100011215938 [0,0,0,1,0,0|2,0,1]=4 673 B12R1.37 CCCOCCSc1ccco1 62a_100011215938_100009814098 [0,0,0,1,0,0|2,0,1]=4 674 B12R1.37 CCCOCCSc1cccs1 62a_100011215356_100011215938 [0,0,0,1,0,0|2,1,0]=4 675 B12R1.37 CCCOCCSc1cccs1 62a_100011215938_100011215356 [0,0,0,1,0,0|2,1,0]=4 676 B12R1.37 CCCSCCCc1cccs1 62a_100000210303_100010992444 [0,0,0,1,0,0|1,1,1]=4 677 B12R1.37 CCCSCCCc1cccs1 62a_100010992444_100000210303 [0,0,0,1,0,0|1,1,1]=4 678 B12R1.37 CCOCCCSc1ccco1 62a_100009814098_100012232248 [0,0,0,1,0,0|2,0,1]=4 679 B12R1.37 CCOCCCSc1ccco1 62a_100012232248_100009814098 [0,0,0,1,0,0|2,0,1]=4 680 B12R1.37 CCOCCCSc1cccs1 62a_100011215356_100012232248 [0,0,0,1,0,0|2,1,0]=4 681 B12R1.37 CCOCCCSc1cccs1 62a_100012232248_100011215356 [0,0,0,1,0,0|2,1,0]=4 682 B12R1.37 COCCCCSc1ccco1 62a_100000730899_100009814098 [0,0,0,1,0,0|2,0,1]=4 683 B12R1.37 COCCCCSc1ccco1 62a_100009814098_100000730899 [0,0,0,1,0,0|2,0,1]=4 684 B12R1.37 COCCCCSc1cccs1 62a_100000730899_100011215356 [0,0,0,1,0,0|2,1,0]=4 685 B12R1.37 COCCCCSc1cccs1 62a_100011215356_100000730899 [0,0,0,1,0,0|2,1,0]=4 686 B12R1.37 FCCCCCSc1ccco1 62a_100000729378_100009814098 [0,0,0,1,0,0|2,0,1]=4 687 B12R1.37 FCCCCCSc1ccco1 62a_100009814098_100000729378 [0,0,0,1,0,0|2,0,1]=4 688 B12R1.37 FCCCCCSc1cccs1 62a_100000729378_100011215356 [0,0,0,1,0,0|2,1,0]=4 689 B12R1.37 FCCCCCSc1cccs1 62a_100011215356_100000729378 [0,0,0,1,0,0|2,1,0]=4 690 B12R1.37 OCCCCCSc1ccco1 62a_100000746330_100009814098 [0,0,0,1,0,0|2,0,1]=4 691 B12R1.37 OCCCCCSc1ccco1 62a_100009814098_100000746330 [0,0,0,1,0,0|2,0,1]=4 692 B12R1.37 OCCCCCSc1cccs1 62a_100000746330_100011215356 [0,0,0,1,0,0|2,1,0]=4 693 B12R1.37 OCCCCCSc1cccs1 62a_100011215356_100000746330 [0,0,0,1,0,0|2,1,0]=4 694 B12R1.45 CCCCSc1ccoc1C=O 62a_100000210211_100000756499 [0,0,0,1,0,0|2,0,1]=4 695 B12R1.45 CCCCSc1ccoc1C=O 62a_100000756499_100000210210 [0,0,0,1,0,0|2,0,1]=4 696 B12R1.45 CCCCSc1ccsc1C=O 62a_100000210211_100000766043 [0,0,0,1,0,0|2,0,1]=4 697 B12R1.45 CCCCSc1ccsc1C=O 62a_100000766043_100000210210 [0,0,0,1,0,0|2,0,1]=4 698 B12R1.45 CCCCSc1cscc1C=O 62a_100000210211_100000685484 [0,0,0,1,0,0|2,0,1]=4 699 B12R1.45 CCCCSc1cscc1C=O 62a_100000685484_100000210210 [0,0,0,1,0,0|2,0,1]=4 700 B12R1.45 CCCCSc1sccc1C=O 62a_100000210211_100009816921 [0,0,0,1,0,0|2,0,1]=4 701 B12R1.45 CCCCSc1sccc1C=O 62a_100009816921_100000210210 [0,0,0,1,0,0|2,0,1]=4 702 B12R1.121 CCCCc1ccccc1C=O 271570a_100020621405_100000211189 [0,0,0,1,0,0|0,0,2]=3 703 B12R1.121 CCCCc1cccnc1C=O 271570a_100020621405_100011934733 [0,0,0,1,0,0|1,0,2]=4 704 B12R1.121 CCCCc1ccncc1C=O 271570a_100020621405_100000050567 [0,0,0,1,0,0|1,0,2]=4 705 B12R1.121 CCCCc1cnccc1C=O 271570a_100020621405_100011934409 [0,0,0,1,0,0|1,0,2]=4 706 B12R1.121 CCCCc1ncccc1C=O 271570a_100020621405_100009816751 [0,0,0,1,0,0|1,0,1]=3 707 B12R1.121 CCCSc1ccccc1C=O 62a_100000210073_100000210303 [0,0,0,1,0,0|1,0,2]=4 708 B12R1.121 CCCSc1ccccc1C=O 62a_100000210303_100000210073 [0,0,0,1,0,0|1,0,2]=4 709 B12R1.121 CCCSc1ncccc1C=O 62a_100000210303_100009816751 [0,0,0,1,0,0|2,0,1]=4 710 B12R1.121 CCCSc1ncccc1C=O 62a_100009816751_100000210303 [0,0,0,1,0,0|2,0,1]=4 711 B12R1.121 CCNCc1ccccc1C=O 2230a_100015525214_200009853537 [0,0,0,1,0,0|1,0,2]=4 712 B12R1.121 CCOCc1ccccc1C=O 34a_100121572206_200009853537 [0,0,0,1,0,0|1,0,2]=4 713 B12R1.121 CCSCc1ccccc1C=O 62a_100000210202_200009853537 [0,0,0,1,0,0|1,0,2]=4 714 B12R1.121 CCSCc1ccccc1C=O 62a_200009853537_100000210202 [0,0,0,1,0,0|1,0,2]=4 715 B12R1.121 CNCCc1ccccc1C=O 2230a_106832991635_100010186698 [0,0,0,1,0,0|1,0,2]=4 716 B12R1.121 CNCCc1ccccc1C=O 34a_100102657272_100010186698 [0,0,0,1,0,0|1,0,2]=4 717 B12R1.121 CNCCc1ccccc1C=O 7a_106832991635_100010186698 [0,0,0,1,0,0|1,0,2]=4 718 B12R1.121 COCCc1ccccc1C=O 34a_100138415774_100010186698 [0,0,0,1,0,0|1,0,2]=4 719 B12R1.121 CSCCc1ccccc1C=O 62a_100010186698_200000210301 [0,0,0,1,0,0|1,0,2]=4 720 B12R1.121 CSCCc1ccccc1C=O 62a_200000210301_100010186698 [0,0,0,1,0,0|1,0,2]=4 721 B12R1.121 [13CH3]SCCc1ccccc1C=O 62a_100010186698_200025704644 [0,0,0,1,0,0|1,0,2]=4 722 B12R1.121 [13CH3]SCCc1ccccc1C=O 62a_200025704644_100010186698 [0,0,0,1,0,0|1,0,2]=4 723 B12R1.267 CCCCNc1ccccc1Br 34a_100000210017_100000210210 [0,0,0,1,0,0|2,0,1]=4 724 B12R1.267 CCCCNc1ccccc1C 34a_100015192222_100000210210 [0,0,0,1,0,0|2,0,1]=4 725 B12R1.267 CCCCNc1ccccc1Cl 34a_100000185783_100000210210 [0,0,0,1,0,0|2,0,1]=4 726 B12R1.267 CCCCNc1ccccc1F 34a_100000210422_100000210210 [0,0,0,1,0,0|2,0,1]=4 727 B12R1.267 CCCCNc1ccccc1I 34a_100000210053_100000210210 [0,0,0,1,0,0|2,0,1]=4 728 B12R1.267 CCCCNc1ccccc1O 34a_100000185747_100000210210 [0,0,0,1,0,0|1,0,2]=4 729 B12R1.267 CCCCOc1ccccc1Br 34a_100000181306_100000210210 [0,0,0,1,0,0|2,0,1]=4 730 B12R1.267 CCCCOc1ccccc1Br 7a_100000181306_100000210211 [0,0,0,1,0,0|2,0,1]=4 731 B12R1.267 CCCCOc1ccccc1C 34a_100000210338_100000210210 [0,0,0,1,0,0|2,0,1]=4 732 B12R1.267 CCCCOc1ccccc1C 7a_100000210338_100000210211 [0,0,0,1,0,0|2,0,1]=4 733 B12R1.267 CCCCOc1ccccc1Cl 34a_100000210172_100000210210 [0,0,0,1,0,0|2,0,1]=4 734 B12R1.267 CCCCOc1ccccc1Cl 7a_100000210172_100000210211 [0,0,0,1,0,0|2,0,1]=4 735 B12R1.267 CCCCOc1ccccc1F 34a_100000210171_100000210210 [0,0,0,1,0,0|2,0,1]=4 736 B12R1.267 CCCCOc1ccccc1F 7a_100000210171_100000210211 [0,0,0,1,0,0|2,0,1]=4 737 B12R1.267 CCCCOc1ccccc1I 34a_100000739446_100000210210 [0,0,0,1,0,0|2,0,1]=4 738 B12R1.267 CCCCOc1ccccc1I 7a_100000739446_100000210211 [0,0,0,1,0,0|2,0,1]=4 739 B12R1.267 CCCCOc1ccccc1N 34a_100000185747_100000210210 [0,0,0,1,0,0|2,0,1]=4 740 B12R1.267 CCCCOc1ccccc1N 7a_100000185747_100000210211 [0,0,0,1,0,0|2,0,1]=4 741 B12R1.267 CCCCOc1ccccc1O 271570a_203496583355_100000230755 [0,0,0,1,0,0|1,0,2]=4 742 B12R1.267 CCCCOc1cccoc1=O 34a_100000077404_100000210210 [0,0,0,1,0,0|2,0,1]=4 743 B12R1.267 CCCCOc1cccoc1=O 7a_100000077404_100000210211 [0,0,0,1,0,0|2,0,1]=4 744 B12R1.267 CCCCOc1coccc1=O 34a_100000060831_100000210210 [0,0,0,1,0,0|2,0,1]=4 745 B12R1.267 CCCCSc1c[nH]ccc1=O 62a_100000210211_100009998708 [0,0,0,1,0,0|2,0,1]=4 746 B12R1.267 CCCCSc1c[nH]ccc1=O 62a_100009998708_100000210210 [0,0,0,1,0,0|2,0,1]=4 747 B12R1.267 CCCCSc1ccccc1Br 62a_100000210211_100000695589 [0,0,0,1,0,0|2,0,1]=4 748 B12R1.267 CCCCSc1ccccc1Br 62a_100000695589_100000210210 [0,0,0,1,0,0|2,0,1]=4 749 B12R1.267 CCCCSc1ccccc1C 62a_100000210211_100000210755 [0,0,0,1,0,0|2,0,1]=4 750 B12R1.267 CCCCSc1ccccc1C 62a_100000210755_100000210210 [0,0,0,1,0,0|2,0,1]=4 751 B12R1.267 CCCCSc1ccccc1Cl 62a_100000210211_100000764095 [0,0,0,1,0,0|2,0,1]=4 752 B12R1.267 CCCCSc1ccccc1Cl 62a_100000764095_100000210210 [0,0,0,1,0,0|2,0,1]=4 753 B12R1.267 CCCCSc1ccccc1F 62a_100000210211_100011215700 [0,0,0,1,0,0|2,0,1]=4 754 B12R1.267 CCCCSc1ccccc1F 62a_100011215700_100000210210 [0,0,0,1,0,0|2,0,1]=4 755 B12R1.267 CCCCSc1ccccc1N 62a_100000210017_100000210210 [0,0,0,1,0,0|2,0,1]=4 756 B12R1.267 CCCCSc1ccccc1N 62a_100000210211_100000210017 [0,0,0,1,0,0|2,0,1]=4 757 B12R1.267 CCCCSc1ccccc1O 62a_100000210211_100000739446 [0,0,0,1,0,0|1,0,2]=4 758 B12R1.267 CCCCSc1ccccc1O 62a_100000739446_100000210210 [0,0,0,1,0,0|1,0,2]=4 759 B12R1.267 CCCNCc1ccccc1Br 207a_100020643023_100000211189 [0,0,0,1,0,0|2,0,1]=4 760 B12R1.267 CCCNCc1ccccc1Br 2230a_100000689332_100000210303 [0,0,0,1,0,0|2,0,1]=4 761 B12R1.267 CCCNCc1ccccc1Br 270004a_100020643023_100000211189 [0,0,0,1,0,0|2,0,1]=4 762 B12R1.267 CCCNCc1ccccc1Br 34a_100000689332_100000210303 [0,0,0,1,0,0|2,0,1]=4 763 B12R1.267 CCCNCc1ccccc1C 207a_100020643023_100000211143 [0,0,0,1,0,0|2,0,1]=4 764 B12R1.267 CCCNCc1ccccc1C 270004a_100020643023_100000211143 [0,0,0,1,0,0|2,0,1]=4 765 B12R1.267 CCCNCc1ccccc1C 34a_100000174972_100000210303 [0,0,0,1,0,0|2,0,1]=4 766 B12R1.267 CCCNCc1ccccc1Cl 207a_100020643023_100000210073 [0,0,0,1,0,0|2,0,1]=4 767 B12R1.267 CCCNCc1ccccc1Cl 2230a_100000174879_100000210303 [0,0,0,1,0,0|2,0,1]=4 768 B12R1.267 CCCNCc1ccccc1Cl 270004a_100020643023_100000210073 [0,0,0,1,0,0|2,0,1]=4 769 B12R1.267 CCCNCc1ccccc1Cl 34a_100000174879_100000210303 [0,0,0,1,0,0|2,0,1]=4 770 B12R1.267 CCCNCc1ccccc1F 207a_100020643023_100000210811 [0,0,0,1,0,0|2,0,1]=4 771 B12R1.267 CCCNCc1ccccc1F 270004a_100020643023_100000210811 [0,0,0,1,0,0|2,0,1]=4 772 B12R1.267 CCCNCc1ccccc1F 34a_100000174869_100000210303 [0,0,0,1,0,0|2,0,1]=4 773 B12R1.267 CCCNCc1ccccc1I 207a_100020643023_100000010305 [0,0,0,1,0,0|2,0,1]=4 774 B12R1.267 CCCNCc1ccccc1I 270004a_100020643023_100000010305 [0,0,0,1,0,0|2,0,1]=4 775 B12R1.267 CCCNCc1ccccc1O 271570a_203496583355_100000196483 [0,0,0,1,0,0|1,0,2]=4 776 B12R1.267 CCCNCc1ccccc1O 34a_100000185550_100000210303 [0,0,0,1,0,0|1,0,2]=4 777 B12R1.267 CCCOCc1ccccc1Br 34a_100000210258_100000184730 [0,0,0,1,0,0|2,0,1]=4 778 B12R1.267 CCCOCc1ccccc1Br 34a_100000756307_100000210303 [0,0,0,1,0,0|2,0,1]=4 779 B12R1.267 CCCOCc1ccccc1Br 7a_100000756307_100000210303 [0,0,0,1,0,0|2,0,1]=4 780 B12R1.267 CCCOCc1ccccc1C 34a_100000210258_100000211839 [0,0,0,1,0,0|2,0,1]=4 781 B12R1.267 CCCOCc1ccccc1C 34a_100000698903_100000210303 [0,0,0,1,0,0|2,0,1]=4 782 B12R1.267 CCCOCc1ccccc1C 7a_100000698903_100000210303 [0,0,0,1,0,0|2,0,1]=4 783 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210258_100000187162 [0,0,0,1,0,0|2,0,1]=4 784 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210847_100000210303 [0,0,0,1,0,0|2,0,1]=4 785 B12R1.267 CCCOCc1ccccc1Cl 7a_100000210847_100000210303 [0,0,0,1,0,0|2,0,1]=4 786 B12R1.267 CCCOCc1ccccc1F 34a_100000210258_100000211605 [0,0,0,1,0,0|2,0,1]=4 787 B12R1.267 CCCOCc1ccccc1F 34a_100000211962_100000210303 [0,0,0,1,0,0|2,0,1]=4 788 B12R1.267 CCCOCc1ccccc1F 7a_100000211962_100000210303 [0,0,0,1,0,0|2,0,1]=4 789 B12R1.267 CCCOCc1ccccc1I 34a_100000187465_100000210303 [0,0,0,1,0,0|2,0,1]=4 790 B12R1.267 CCCOCc1ccccc1I 34a_100000210258_100011215278 [0,0,0,1,0,0|2,0,1]=4 791 B12R1.267 CCCOCc1ccccc1I 7a_100000187465_100000210303 [0,0,0,1,0,0|2,0,1]=4 792 B12R1.267 CCCOCc1ccccc1N 34a_100000212039_100000210303 [0,0,0,1,0,0|2,0,1]=4 793 B12R1.267 CCCSCc1ccccc1Br 62a_100000184730_100000210303 [0,0,0,1,0,0|2,0,1]=4 794 B12R1.267 CCCSCc1ccccc1Br 62a_100000210303_100000184730 [0,0,0,1,0,0|2,0,1]=4 795 B12R1.267 CCCSCc1ccccc1C 62a_100000210303_100000211839 [0,0,0,1,0,0|2,0,1]=4 796 B12R1.267 CCCSCc1ccccc1C 62a_100000211839_100000210303 [0,0,0,1,0,0|2,0,1]=4 797 B12R1.267 CCCSCc1ccccc1Cl 62a_100000187162_100000210303 [0,0,0,1,0,0|2,0,1]=4 798 B12R1.267 CCCSCc1ccccc1Cl 62a_100000210303_100000187162 [0,0,0,1,0,0|2,0,1]=4 799 B12R1.267 CCCSCc1ccccc1F 62a_100000210303_100000211605 [0,0,0,1,0,0|2,0,1]=4 800 B12R1.267 CCCSCc1ccccc1F 62a_100000211605_100000210303 [0,0,0,1,0,0|2,0,1]=4 801 B12R1.267 CCCSCc1ccccc1I 62a_100000210303_100011216222 [0,0,0,1,0,0|2,0,1]=4 802 B12R1.267 CCCSCc1ccccc1I 62a_100011216222_100000210303 [0,0,0,1,0,0|2,0,1]=4 803 B12R1.267 CCCSCc1ccccc1O 271570a_203496583355_200000173363 [0,0,0,1,0,0|1,0,2]=4 804 B12R1.267 CCNCCc1ccccc1Br 2230a_100000747383_100000210202 [0,0,0,1,0,0|2,0,1]=4 805 B12R1.267 CCNCCc1ccccc1Br 2230a_100015525214_100012161201 [0,0,0,1,0,0|2,0,1]=4 806 B12R1.267 CCNCCc1ccccc1Br 34a_100000747383_100000210202 [0,0,0,1,0,0|2,0,1]=4 807 B12R1.267 CCNCCc1ccccc1C 2230a_100000685071_100000210202 [0,0,0,1,0,0|2,0,1]=4 808 B12R1.267 CCNCCc1ccccc1C 2230a_100015525214_100011713688 [0,0,0,1,0,0|2,0,1]=4 809 B12R1.267 CCNCCc1ccccc1C 34a_100000685071_100000210202 [0,0,0,1,0,0|2,0,1]=4 810 B12R1.267 CCNCCc1ccccc1Cl 2230a_100011207228_100000210202 [0,0,0,1,0,0|2,0,1]=4 811 B12R1.267 CCNCCc1ccccc1Cl 2230a_100015525214_100011713703 [0,0,0,1,0,0|2,0,1]=4 812 B12R1.267 CCNCCc1ccccc1Cl 270004a_100015525214_200011713468 [0,0,0,1,0,0|2,0,1]=4 813 B12R1.267 CCNCCc1ccccc1Cl 34a_100011207228_100000210202 [0,0,0,1,0,0|2,0,1]=4 814 B12R1.267 CCNCCc1ccccc1F 2230a_100000185272_100000210202 [0,0,0,1,0,0|2,0,1]=4 815 B12R1.267 CCNCCc1ccccc1F 2230a_100015525214_100011713696 [0,0,0,1,0,0|2,0,1]=4 816 B12R1.267 CCNCCc1ccccc1F 34a_100000185272_100000210202 [0,0,0,1,0,0|2,0,1]=4 817 B12R1.267 CCNCCc1ccccc1O 34a_100011207237_100000210202 [0,0,0,1,0,0|1,0,2]=4 818 B12R1.267 CCNCCn1ccccc1=O 2230a_100000687133_100000210202 [0,0,0,1,0,0|2,0,0]=3 819 B12R1.267 CCOCCc1ccccc1Br 34a_100000731337_100000210202 [0,0,0,1,0,0|2,0,1]=4 820 B12R1.267 CCOCCc1ccccc1Br 34a_100121572206_100012161201 [0,0,0,1,0,0|2,0,1]=4 821 B12R1.267 CCOCCc1ccccc1Br 7a_100000731337_100000210202 [0,0,0,1,0,0|2,0,1]=4 822 B12R1.267 CCOCCc1ccccc1C 34a_100011220023_100000210202 [0,0,0,1,0,0|2,0,1]=4 823 B12R1.267 CCOCCc1ccccc1C 34a_100121572206_100011713688 [0,0,0,1,0,0|2,0,1]=4 824 B12R1.267 CCOCCc1ccccc1C 7a_100011220023_100000210202 [0,0,0,1,0,0|2,0,1]=4 825 B12R1.267 CCOCCc1ccccc1Cl 34a_100011215284_100000210202 [0,0,0,1,0,0|2,0,1]=4 826 B12R1.267 CCOCCc1ccccc1Cl 34a_100121572206_100011713703 [0,0,0,1,0,0|2,0,1]=4 827 B12R1.267 CCOCCc1ccccc1Cl 7a_100011215284_100000210202 [0,0,0,1,0,0|2,0,1]=4 828 B12R1.267 CCOCCc1ccccc1F 34a_100000753711_100000210202 [0,0,0,1,0,0|2,0,1]=4 829 B12R1.267 CCOCCc1ccccc1F 34a_100121572206_100000720011 [0,0,0,1,0,0|2,0,1]=4 830 B12R1.267 CCOCCc1ccccc1F 7a_100000753711_100000210202 [0,0,0,1,0,0|2,0,1]=4 831 B12R1.267 CCOCCc1ccccc1I 34a_100010255290_100000210202 [0,0,0,1,0,0|2,0,1]=4 832 B12R1.267 CCOCCc1ccccc1I 7a_100010255290_100000210202 [0,0,0,1,0,0|2,0,1]=4 833 B12R1.267 CCOCCc1ccccc1N 34a_100011215289_100000210202 [0,0,0,1,0,0|2,0,1]=4 834 B12R1.267 CCOCCc1ccccc1O 34a_100121572206_100000722297 [0,0,0,1,0,0|1,0,2]=4 835 B12R1.267 CCSCCc1ccccc1Br 62a_100000210202_100012161201 [0,0,0,1,0,0|2,0,1]=4 836 B12R1.267 CCSCCc1ccccc1Br 62a_100012161201_100000210202 [0,0,0,1,0,0|2,0,1]=4 837 B12R1.267 CCSCCc1ccccc1C 62a_100000210202_100011713688 [0,0,0,1,0,0|2,0,1]=4 838 B12R1.267 CCSCCc1ccccc1C 62a_100011713688_100000210202 [0,0,0,1,0,0|2,0,1]=4 839 B12R1.267 CCSCCc1ccccc1Cl 62a_100000210202_100011713703 [0,0,0,1,0,0|2,0,1]=4 840 B12R1.267 CCSCCc1ccccc1Cl 62a_100011713703_100000210202 [0,0,0,1,0,0|2,0,1]=4 841 B12R1.267 CCSCCc1ccccc1F 62a_100000210202_100011713696 [0,0,0,1,0,0|2,0,1]=4 842 B12R1.267 CCSCCc1ccccc1F 62a_100011713696_100000210202 [0,0,0,1,0,0|2,0,1]=4 843 B12R1.267 CCSCCc1ccccc1O 62a_100000210202_100000722297 [0,0,0,1,0,0|1,0,2]=4 844 B12R1.267 CCSCCc1ccccc1O 62a_100000722297_100000210202 [0,0,0,1,0,0|1,0,2]=4 845 B12R1.267 CNCCCc1ccccc1Br 2230a_106832991635_200011713681 [0,0,0,1,0,0|2,0,1]=4 846 B12R1.267 CNCCCc1ccccc1Br 34a_100102657272_200011713681 [0,0,0,1,0,0|2,0,1]=4 847 B12R1.267 CNCCCc1ccccc1Br 7a_106832991635_200011713681 [0,0,0,1,0,0|2,0,1]=4 848 B12R1.267 CNCCCc1ccccc1F 2230a_100000724733_200000210301 [0,0,0,1,0,0|2,0,1]=4 849 B12R1.267 CNCCCc1ccccc1F 34a_100000724733_200000210301 [0,0,0,1,0,0|2,0,1]=4 850 B12R1.267 COCCCc1ccccc1Br 34a_100000699526_200000210301 [0,0,0,1,0,0|2,0,1]=4 851 B12R1.267 COCCCc1ccccc1Br 34a_100138415774_200011713681 [0,0,0,1,0,0|2,0,1]=4 852 B12R1.267 COCCCc1ccccc1Br 7a_100000699526_200000210301 [0,0,0,1,0,0|2,0,1]=4 853 B12R1.267 COCCCc1ccccc1Cl 34a_100011709251_200000210301 [0,0,0,1,0,0|2,0,1]=4 854 B12R1.267 COCCCc1ccccc1Cl 7a_100011709251_200000210301 [0,0,0,1,0,0|2,0,1]=4 855 B12R1.267 COCCCc1ccccc1F 34a_100011709249_200000210301 [0,0,0,1,0,0|2,0,1]=4 856 B12R1.267 COCCCc1ccccc1F 7a_100011709249_200000210301 [0,0,0,1,0,0|2,0,1]=4 857 B12R1.267 CSCCCc1ccccc1Br 62a_200000210301_200011713681 [0,0,0,1,0,0|2,0,1]=4 858 B12R1.267 CSCCCc1ccccc1Br 62a_200011713681_200000210301 [0,0,0,1,0,0|2,0,1]=4 859 B12R1.267 OCCCCc1ccccc1O 271570a_203496583355_100012092669 [0,0,0,1,0,0|1,0,2]=4 860 B12R1.267 [13CH3]NCCCc1ccccc1F 2230a_100000724733_200025704644 [0,0,0,1,0,0|2,0,1]=4 861 B12R1.267 [13CH3]NCCCc1ccccc1F 34a_100000724733_200025704644 [0,0,0,1,0,0|2,0,1]=4 862 B12R1.267 [13CH3]OCCCc1ccccc1Br 34a_100000699526_200025704644 [0,0,0,1,0,0|2,0,1]=4 863 B12R1.267 [13CH3]OCCCc1ccccc1Br 7a_100000699526_200025704644 [0,0,0,1,0,0|2,0,1]=4 864 B12R1.267 [13CH3]OCCCc1ccccc1Cl 34a_100011709251_200025704644 [0,0,0,1,0,0|2,0,1]=4 865 B12R1.267 [13CH3]OCCCc1ccccc1Cl 7a_100011709251_200025704644 [0,0,0,1,0,0|2,0,1]=4 866 B12R1.267 [13CH3]OCCCc1ccccc1F 34a_100011709249_200025704644 [0,0,0,1,0,0|2,0,1]=4 867 B12R1.267 [13CH3]OCCCc1ccccc1F 7a_100011709249_200025704644 [0,0,0,1,0,0|2,0,1]=4 868 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200011713681_200025704644 [0,0,0,1,0,0|2,0,1]=4 869 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200025704644_200011713681 [0,0,0,1,0,0|2,0,1]=4 870 B12R1.272 C/C=C/C=C/COCC1CCC1 34a_100016283227_100000763275 [0,0,0,1,0,0|2,0,1]=4 871 B12R1.272 CC=CC=CC=NNC1CCC1 4a_100000736358_100000691131 [0,0,0,1,0,0|3,0,0]=4 872 B12R1.320 CC=Cc1ccnn1CCCC 271570a_100016259895_200010264484 [0,0,0,1,0,0|3,0,0]=4 873 B12R1.372 CCCCCCc1ccsc1O 271570a_203496583355_100009817158 [0,0,0,1,0,0|1,0,1]=3 874 B12R1.372 CCCCCSc1ccsc1C 62a_100000210326_100000684487 [0,0,0,1,0,0|3,0,0]=4 875 B12R1.372 CCCCCSc1ccsc1C 62a_100000684487_100000210326 [0,0,0,1,0,0|3,0,0]=4 876 B12R1.372 CCCCCSc1cscc1Br 62a_100000210326_100010143727 [0,0,0,1,0,0|3,0,0]=4 877 B12R1.372 CCCCCSc1cscc1Br 62a_100010143727_100000210326 [0,0,0,1,0,0|3,0,0]=4 878 B12R1.372 CCCCCSc1cscc1C 62a_100000210326_100000759966 [0,0,0,1,0,0|3,0,0]=4 879 B12R1.372 CCCCCSc1cscc1C 62a_100000759966_100000210326 [0,0,0,1,0,0|3,0,0]=4 880 B12R1.372 CCCCCSc1sccc1Br 62a_100000210326_100012361411 [0,0,0,1,0,0|3,0,0]=4 881 B12R1.372 CCCCCSc1sccc1Br 62a_100012361411_100000210326 [0,0,0,1,0,0|3,0,0]=4 882 B12R1.372 CCCCCSc1sccc1C 62a_100000210326_100010247149 [0,0,0,1,0,0|3,0,0]=4 883 B12R1.372 CCCCCSc1sccc1C 62a_100010247149_100000210326 [0,0,0,1,0,0|3,0,0]=4 884 B12R1.372 CCCCNCc1cccn1C 270004a_100000102301_100000211633 [0,0,0,1,0,0|3,0,0]=4 885 B12R1.372 CCCCNCc1cccn1C 34a_100011219357_100000210210 [0,0,0,1,0,0|3,0,0]=4 886 B12R1.372 CCCCNCc1ccsc1Br 207a_100000102301_100009816921 [0,0,0,1,0,0|3,0,0]=4 887 B12R1.372 CCCCNCc1ccsc1Br 2230a_100000102301_100009814289 [0,0,0,1,0,0|3,0,0]=4 888 B12R1.372 CCCCNCc1ccsc1Br 2230a_100000727803_100000210211 [0,0,0,1,0,0|3,0,0]=4 889 B12R1.372 CCCCNCc1ccsc1Br 270004a_100000102301_100009816921 [0,0,0,1,0,0|3,0,0]=4 890 B12R1.372 CCCCNCc1ccsc1Br 34a_100000727803_100000210210 [0,0,0,1,0,0|3,0,0]=4 891 B12R1.372 CCCCNCc1ccsc1Br 7a_106832991798_100009814289 [0,0,0,1,0,0|3,0,0]=4 892 B12R1.372 CCCCNCc1ccsc1Cl 207a_100000102301_100000089901 [0,0,0,1,0,0|3,0,0]=4 893 B12R1.372 CCCCNCc1ccsc1Cl 2230a_100000102301_100010167017 [0,0,0,1,0,0|3,0,0]=4 894 B12R1.372 CCCCNCc1ccsc1Cl 270004a_100000102301_100000089901 [0,0,0,1,0,0|3,0,0]=4 895 B12R1.372 CCCCNCc1ccsc1Cl 7a_106832991798_100010167017 [0,0,0,1,0,0|3,0,0]=4 896 B12R1.372 CCCCNCc1cscc1Br 207a_100000102301_100000685484 [0,0,0,1,0,0|3,0,0]=4 897 B12R1.372 CCCCNCc1cscc1Br 270004a_100000102301_100000685484 [0,0,0,1,0,0|3,0,0]=4 898 B12R1.372 CCCCNCc1occc1Br 270004a_100000102301_100000756499 [0,0,0,1,0,0|3,0,0]=4 899 B12R1.372 CCCCNCc1occc1C 207a_100000102301_100000763527 [0,0,0,1,0,0|3,0,0]=4 900 B12R1.372 CCCCNCc1occc1C 270004a_100000102301_100000763527 [0,0,0,1,0,0|3,0,0]=4 901 B12R1.372 CCCCNCc1sccc1Br 207a_100000102301_100000766043 [0,0,0,1,0,0|3,0,0]=4 902 B12R1.372 CCCCNCc1sccc1Br 270004a_100000102301_100000766043 [0,0,0,1,0,0|3,0,0]=4 903 B12R1.372 CCCCNCc1sccc1C 207a_100000102301_100000210881 [0,0,0,1,0,0|3,0,0]=4 904 B12R1.372 CCCCNCc1sccc1C 2230a_100000238519_100000210211 [0,0,0,1,0,0|3,0,0]=4 905 B12R1.372 CCCCNCc1sccc1C 270004a_100000102301_100000210881 [0,0,0,1,0,0|3,0,0]=4 906 B12R1.372 CCCCNCc1sccc1C 34a_100000238519_100000210210 [0,0,0,1,0,0|3,0,0]=4 907 B12R1.372 CCCCNCc1sccc1Cl 207a_100000102301_100000722334 [0,0,0,1,0,0|3,0,0]=4 908 B12R1.372 CCCCNCc1sccc1Cl 2230a_100011934584_100000210211 [0,0,0,1,0,0|3,0,0]=4 909 B12R1.372 CCCCNCc1sccc1Cl 270004a_100000102301_100000722334 [0,0,0,1,0,0|3,0,0]=4 910 B12R1.372 CCCCNCc1sccc1Cl 34a_100011934584_100000210210 [0,0,0,1,0,0|3,0,0]=4 911 B12R1.372 CCCCOCC1=CCCC1=O 34a_100000087531_100000210210 [0,0,0,1,0,0|1,0,2]=4 912 B12R1.372 CCCCOCc1ccoc1C 34a_100011219433_100000210210 [0,0,0,1,0,0|3,0,0]=4 913 B12R1.372 CCCCOCc1ccoc1C 7a_100011219433_100000210211 [0,0,0,1,0,0|3,0,0]=4 914 B12R1.372 CCCCOCc1ccsc1Br 34a_100000210227_100009814289 [0,0,0,1,0,0|3,0,0]=4 915 B12R1.372 CCCCOCc1ccsc1Br 34a_100009816922_100000210210 [0,0,0,1,0,0|3,0,0]=4 916 B12R1.372 CCCCOCc1ccsc1Br 7a_100000210227_100009814289 [0,0,0,1,0,0|3,0,0]=4 917 B12R1.372 CCCCOCc1ccsc1Br 7a_100009816922_100000210211 [0,0,0,1,0,0|3,0,0]=4 918 B12R1.372 CCCCOCc1ccsc1Cl 34a_100000210227_100010167017 [0,0,0,1,0,0|3,0,0]=4 919 B12R1.372 CCCCOCc1ccsc1Cl 7a_100000210227_100010167017 [0,0,0,1,0,0|3,0,0]=4 920 B12R1.372 CCCCOCc1cscc1Br 34a_100000724555_100000210210 [0,0,0,1,0,0|3,0,0]=4 921 B12R1.372 CCCCOCc1occc1C 34a_100011273948_100000210210 [0,0,0,1,0,0|3,0,0]=4 922 B12R1.372 CCCCOCc1occc1C 7a_100011273948_100000210211 [0,0,0,1,0,0|3,0,0]=4 923 B12R1.372 CCCCOCc1sccc1Br 34a_100000702026_100000210210 [0,0,0,1,0,0|3,0,0]=4 924 B12R1.372 CCCCOCc1sccc1C 34a_100000238368_100000210210 [0,0,0,1,0,0|3,0,0]=4 925 B12R1.372 CCCCOCc1sccc1C 7a_100000238368_100000210211 [0,0,0,1,0,0|3,0,0]=4 926 B12R1.372 CCCCOCc1sccc1Cl 34a_100000722387_100000210210 [0,0,0,1,0,0|3,0,0]=4 927 B12R1.372 CCCCOCc1sccc1Cl 7a_100000722387_100000210211 [0,0,0,1,0,0|3,0,0]=4 928 B12R1.372 CCCCSCc1ccsc1Br 62a_100000210211_100009814289 [0,0,0,1,0,0|3,0,0]=4 929 B12R1.372 CCCCSCc1ccsc1Br 62a_100009814289_100000210210 [0,0,0,1,0,0|3,0,0]=4 930 B12R1.372 CCCCSCc1ccsc1Cl 62a_100000210211_100010167017 [0,0,0,1,0,0|3,0,0]=4 931 B12R1.372 CCCCSCc1ccsc1Cl 62a_100010167017_100000210210 [0,0,0,1,0,0|3,0,0]=4 932 B12R1.372 CCCNCCc1cccn1C 2230a_100011251756_100000210303 [0,0,0,1,0,0|3,0,0]=4 933 B12R1.372 CCCNCCc1cccn1C 34a_100011251756_100000210303 [0,0,0,1,0,0|3,0,0]=4 934 B12R1.375 C/C=C/C=C/COCCC1CC1 34a_100016283227_100000694398 [0,0,0,1,0,0|2,0,1]=4 935 B12R1.375 CC=CC=CC=NNCC1CC1 4a_100000736359_100000691131 [0,0,0,1,0,0|3,0,0]=4 936 B9R0.45 C/C=C/C=C/COCCC 34a_100016283227_100000210303 [2,0,0,0,0,0|1,0,1]=4 937 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [2,0,0,0,0,0|1,0,1]=4 938 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [2,0,0,0,0,0|1,0,1]=4 939 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [2,0,0,0,0,0|1,0,1]=4 940 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [2,0,0,0,0,0|1,0,1]=4 941 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [2,0,0,0,0,0|1,0,1]=4 942 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [2,0,0,0,0,0|1,0,1]=4 943 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [2,0,0,0,0,0|1,0,1]=4 944 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [2,0,0,0,0,0|1,0,1]=4 945 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [2,0,0,0,0,0|1,0,1]=4 946 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [2,0,0,0,0,0|1,0,1]=4 947 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [2,0,0,0,0,0|1,0,1]=4 948 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [2,0,0,0,0,0|1,0,1]=4 949 B11R0.4 C/C=C/C=C/COC(C)CCC 34a_100016283227_100000766640 [1,1,0,0,0,0|1,0,1]=4 950 B11R0.4 C=CCC(=O)C=CCCCCC 1458a_100016263427_100000210623 [1,1,0,0,0,0|0,0,2]=4 951 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [1,1,0,0,0,0|0,0,2]=4 952 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [1,1,0,0,0,0|0,0,2]=4 953 B11R0.4 C=CCC(=O)NCCCCCC 11a_100000210581_100000210193 [1,1,0,0,0,0|1,0,1]=4 954 B11R0.4 C=CCC(=O)NCCCCCC 1626a_100000210581_100000210193 [1,1,0,0,0,0|1,0,1]=4 955 B11R0.4 C=CCC(=O)NCCCCCC 240690a_100000210581_100000210193 [1,1,0,0,0,0|1,0,1]=4 956 B11R0.4 C=CCC(=O)NCCCCCC 527a_100000210581_100000210193 [1,1,0,0,0,0|1,0,1]=4 957 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [1,1,0,0,0,0|0,0,2]=4 958 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [1,1,0,0,0,0|1,0,1]=4 959 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [1,1,0,0,0,0|1,0,1]=4 960 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [1,1,0,0,0,0|1,0,1]=4 961 B11R0.4 CCCCCCCC(=O)C=CBr 1458a_100016273825_100000210614 [1,1,0,0,0,0|1,0,1]=4 962 B11R0.4 CCCCCCCC(=O)C=CCl 1458a_200016279998_100000210614 [1,1,0,0,0,0|1,0,1]=4 963 B11R0.4 CCCCCCCC(=O)C=CI 1458a_100016256311_100000210614 [1,1,0,0,0,0|1,0,1]=4 964 B11R0.4 CCCCCCNC(=O)C=CBr 1626a_100000210581_100016273825 [1,1,0,0,0,0|2,0,0]=4 965 B11R0.4 CCCCCCNC(=O)C=CBr 240690a_100000210581_100016273825 [1,1,0,0,0,0|2,0,0]=4 966 B11R0.4 CCCCCCNC(=O)C=CCl 11a_100000210581_200016279998 [1,1,0,0,0,0|2,0,0]=4 967 B11R0.4 CCCCCCNC(=O)C=CCl 1626a_100000210581_200016279998 [1,1,0,0,0,0|2,0,0]=4 968 B11R0.4 CCCCCCNC(=O)C=CCl 240690a_100000210581_200016279998 [1,1,0,0,0,0|2,0,0]=4 969 B11R0.4 CCCCCCNC(=O)C=CI 1626a_100000210581_100016256311 [1,1,0,0,0,0|2,0,0]=4 970 B11R0.40 C/C=C/C=C/COCC(C)CC 34a_100016283227_100000748023 [1,1,0,0,0,0|1,0,1]=4 971 B11R0.40 C/C=C/C=C/COCC(O)CC 34a_100016283227_100011218378 [1,1,0,0,0,0|1,0,1]=4 972 B11R0.40 C/C=C/C=C/COC[C@@H](C)CC 34a_100016283227_100009816398 [1,1,0,0,0,0|1,0,1]=4 973 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [1,1,0,0,0,0|0,0,2]=4 974 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [1,1,0,0,0,0|1,0,1]=4 975 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [1,1,0,0,0,0|1,0,1]=4 976 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [1,1,0,0,0,0|0,0,2]=4 977 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [1,1,0,0,0,0|1,0,1]=4 978 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [1,1,0,0,0,0|1,0,1]=4 979 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [1,1,0,0,0,0|1,0,1]=4 980 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [1,1,0,0,0,0|1,0,1]=4 981 B11R0.81 C#CCCCCC(=O)C=CC=C 1458a_100016291481_100010269958 [1,1,0,0,0,0|0,0,2]=4 982 B11R0.81 C/C=C/CC(=O)CCCCCC 1458a_100102632555_100102629194 [1,1,0,0,0,0|0,0,2]=4 983 B11R0.81 C=CC=CC(=O)CC/C=C\CC 1458a_100016291481_100015370543 [1,1,0,0,0,0|0,0,2]=4 984 B11R0.81 C=CC=CC(=O)CCCCC#N 1458a_100016291481_100000211819 [1,1,0,0,0,0|1,0,1]=4 985 B11R0.81 C=CC=CC(=O)CCCCC=C 1458a_100016291481_100011215482 [1,1,0,0,0,0|0,0,2]=4 986 B11R0.81 C=CC=CC(=O)CCCCCC 1458a_100016291481_100000210757 [1,1,0,0,0,0|0,0,0]=2 987 B11R0.81 C=CC=CC(=O)CCCCCF 1458a_100016291481_100000729378 [1,1,0,0,0,0|1,0,0]=3 988 B11R0.81 C=CC=CC(=O)CCCCCO 1458a_100016291481_100000746330 [1,1,0,0,0,0|1,0,0]=3 989 B11R0.81 C=CC=CC(=O)CCCCOC 1458a_100016291481_100000755781 [1,1,0,0,0,0|1,0,0]=3 990 B11R0.81 C=CC=CC(=O)CCCOCC 1458a_100016291481_100012232248 [1,1,0,0,0,0|1,0,0]=3 991 B11R0.81 C=CC=CC(=O)CCOCCC 1458a_100016291481_100011215938 [1,1,0,0,0,0|1,0,0]=3 992 B11R0.81 C=CC=CC(=O)CCOCCO 1458a_100016291481_100011215305 [1,1,0,0,0,0|2,0,0]=4 993 B11R0.81 C=CC=CC(=O)COCCCC 1458a_100016291481_100011995733 [1,1,0,0,0,0|1,0,0]=3 994 B11R0.81 C=CC=CC(=O)NCCCCC 1626a_100000209983_100016291481 [1,1,0,0,0,0|1,0,0]=3 995 B11R0.81 C=CC=CC(=O)NCCCOC 1626a_100150723488_100016291481 [1,1,0,0,0,0|2,0,0]=4 996 B11R0.81 C=CC=CC(=O)NCCCSC 1626a_100000749238_100016291481 [1,1,0,0,0,0|2,0,0]=4 997 B11R0.81 C=CC=CC(=O)NCCOCC 1626a_102516460346_100016291481 [1,1,0,0,0,0|2,0,0]=4 998 B11R0.81 C=CC=CC(=O)NCCSCC 1626a_100000106463_100016291481 [1,1,0,0,0,0|2,0,0]=4 999 B11R0.81 C=CC=CC(=O)NNCCCC 22a_100025702795_100016291481 [1,1,0,0,0,0|2,0,0]=4 1000 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [1,1,0,0,0,0|0,0,2]=4 1001 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [1,1,0,0,0,0|0,0,2]=4 1002 B11R0.81 C=CCNC(=O)CCCCCC 1626a_100020586998_100102632555 [1,1,0,0,0,0|1,0,1]=4 1003 B11R0.81 C=CCNC(=O)CCCCCC 240690a_100020586998_100102632555 [1,1,0,0,0,0|1,0,1]=4 1004 B11R0.81 C=CCNC(=O)CCCCCC 527a_100020586998_100102632555 [1,1,0,0,0,0|1,0,1]=4 1005 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100102632555_100000070051 [1,1,0,0,0,0|0,0,2]=4 1006 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100121576822_100000210757 [1,1,0,0,0,0|0,0,2]=4 1007 B11R0.81 CCC=CC(=O)CCCCCC 1458a_100000212282_100000210757 [1,1,0,0,0,0|0,0,2]=4 1008 B11R0.81 CCCCCCC(=O)C=COC 1458a_100016268678_100000210757 [1,1,0,0,0,0|1,0,1]=4 1009 B11R0.140 C/C=C/C=CC(=O)CCCCC 1458a_100000185730_100000210326 [1,1,0,0,0,0|1,0,0]=3 1010 B11R0.140 C/C=C/C=CC(=O)CCCCF 1458a_100000185730_100000729493 [1,1,0,0,0,0|2,0,0]=4 1011 B11R0.140 C/C=C/C=CC(=O)CCCCO 1458a_100000185730_100000210776 [1,1,0,0,0,0|2,0,0]=4 1012 B11R0.140 C/C=C/C=CC(=O)CCCOC 1458a_100000185730_100000740836 [1,1,0,0,0,0|2,0,0]=4 1013 B11R0.140 C/C=C/C=CC(=O)CCOCC 1458a_100000185730_100011215890 [1,1,0,0,0,0|2,0,0]=4 1014 B11R0.140 C/C=C/C=CC(=O)CCSCC 1458a_100000185730_100000757381 [1,1,0,0,0,0|2,0,0]=4 1015 B11R0.140 C/C=C/C=CC(=O)NCCCC 11a_100000102301_100000185730 [1,1,0,0,0,0|2,0,0]=4 1016 B11R0.140 C/C=C/C=CC(=O)NCCCC 1626a_100000102301_100000185730 [1,1,0,0,0,0|2,0,0]=4 1017 B11R0.140 C/C=C/C=CC(=O)NCCCC 240690a_100000102301_100000185730 [1,1,0,0,0,0|2,0,0]=4 1018 B11R0.148 C/C=C/C=C/COCCC(C)C 34a_100016283227_100000210312 [1,1,0,0,0,0|1,0,1]=4 1019 B11R0.148 C/C=C/C=C/COCCC(C)O 34a_100016283227_100012276601 [1,1,0,0,0,0|1,0,1]=4 1020 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [1,1,0,0,0,0|0,0,2]=4 1021 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [1,1,0,0,0,0|0,0,2]=4 1022 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [1,1,0,0,0,0|0,0,1]=3 1023 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [1,1,0,0,0,0|0,0,1]=3 1024 B11R0.148 CCCCCCC=NNC(=O)C 4a_100000189765_100000234349 [1,1,0,0,0,0|2,0,0]=4 1025 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [1,1,0,0,0,0|0,0,1]=3 1026 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [1,1,0,0,0,0|0,0,1]=3 1027 B13R0.2 C=CCC(=O)C/C=C/CCCCCC 1458a_100020681715_100000210623 [0,2,0,0,0,0|1,0,1]=4 1028 B13R0.2 C=CCC(=O)C=CCCCCCCC 1458a_200015332781_100000210623 [0,2,0,0,0,0|1,0,1]=4 1029 B13R0.66 C/C=C/CC(=O)C=CCCCCCC 1458a_200015324643_100102629194 [0,2,0,0,0,0|1,0,0]=3 1030 B13R0.66 C=CC=CC(=O)CCCCCCCC 1458a_100016291481_100000210759 [0,2,0,0,0,0|1,0,1]=4 1031 B13R0.66 C=CC=CC(=O)CCCCCCCO 1458a_100016291481_100000760002 [0,2,0,0,0,0|1,0,1]=4 1032 B13R0.66 C=CC=CC(=O)CCCCCCOC 1458a_100016291481_100011998445 [0,2,0,0,0,0|1,0,1]=4 1033 B13R0.66 C=CC=CC(=O)NCCCCCCC 1626a_100000229938_100016291481 [0,2,0,0,0,0|1,0,1]=4 1034 B13R0.66 C=CC=CC(=O)NCCCCCOC 1626a_100000747528_100016291481 [0,2,0,0,0,0|2,0,0]=4 1035 B13R0.66 C=CC=CC(=O)NCCCOCCC 1626a_100011217757_100016291481 [0,2,0,0,0,0|2,0,0]=4 1036 B13R0.66 C=CC=CC(=O)NCCSCCCC 1626a_100025743550_100016291481 [0,2,0,0,0,0|2,0,0]=4 1037 B13R0.66 C=CCCC(=O)C=CCCCCCC 1458a_200015324643_100000754431 [0,2,0,0,0,0|1,0,1]=4 1038 B13R0.66 C=CCNC(=O)C=CCCCCCC 1626a_100020586998_200015324643 [0,2,0,0,0,0|1,0,1]=4 1039 B13R0.66 C=CCNC(=O)C=CCCCCCC 240690a_100020586998_200015324643 [0,2,0,0,0,0|1,0,1]=4 1040 B13R0.66 CC=CCC(=O)C=CCCCCCC 1458a_200015324643_100000070051 [0,2,0,0,0,0|1,0,0]=3 1041 B13R0.335 C=C(C)CC(=O)C=CCCCCCC 1458a_200015324643_100000748629 [0,2,0,0,0,0|1,0,1]=4 1042 B13R0.335 C=C(F)CC(=O)C=CCCCCCC 1458a_200015324643_100009893438 [0,2,0,0,0,0|1,0,1]=4 1043 B13R0.335 CCCCCCC=CC(=O)CC(=O)N 1458a_200015324643_100000187820 [0,2,0,0,0,0|0,0,1]=3 1044 B13R0.335 CCCCCCC=CC(=O)CC(=O)[O-] 1458a_200015324643_100020667443 [0,2,0,0,0,0|0,0,1]=3 1045 B13R0.335 CCCCCCC=CC(=O)C[N+](=O)[O-] 1458a_200015324643_100000761209 [0,2,0,0,0,0|1,0,1]=4 1046 B13R0.54 C/C=C/C=C/COCCCCC(C)C 34a_100016283227_100011216152 [0,2,0,0,0,0|1,0,1]=4 1047 B13R0.54 CCCCCC/C=C/COCC(=O)N 34a_200016276170_100000187820 [0,2,0,0,0,0|0,0,2]=4 1048 B13R0.54 CCCCCC/C=C/COCC(=O)N 7a_200016276170_100000187820 [0,2,0,0,0,0|0,0,2]=4 1049 B13R0.54 CCCCCC/C=C/COCC(=O)[O-] 34a_200016276170_100020667443 [0,2,0,0,0,0|0,0,2]=4 1050 B13R0.54 CCCCCCC=CC=NNC(=O)C 4a_100000189765_100016264548 [0,2,0,0,0,0|1,0,0]=3 1051 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [0,2,0,0,0,0|0,0,2]=4 1052 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [0,2,0,0,0,0|0,0,2]=4 1053 B13R0.147 CCCCCCCCC=CC(=O)CC 1458a_100015345288_100000210202 [0,2,0,0,0,0|0,0,2]=4 1054 B13R0.147 CCCCCCCCC=CC(=O)CF 1458a_100015345288_100015361967 [0,2,0,0,0,0|0,0,2]=4 1055 B13R0.147 CCCCCCCCC=CC(=O)NC 11a_106832991635_100015345288 [0,2,0,0,0,0|0,0,2]=4 1056 B13R0.147 CCCCCCCCC=CC(=O)NC 1626a_100102657272_100015345288 [0,2,0,0,0,0|0,0,2]=4 1057 B13R0.147 CCCCCCCCC=CC(=O)NC 240690a_100102657272_100015345288 [0,2,0,0,0,0|0,0,2]=4 1058 B13R0.147 CCCCCCNC/C=C/C(=O)OC 2230a_100000210581_100000742655 [0,2,0,0,0,0|1,0,1]=4 1059 B13R0.147 CCCCCCOC/C=C/C(=O)OC 34a_100000210259_100000742655 [0,2,0,0,0,0|1,0,1]=4 1060 B13R0.147 CCCCCCOC/C=C/C(=O)OC 7a_100000210259_100000742655 [0,2,0,0,0,0|1,0,1]=4 1061 B13R0.147 CCCCCCSC/C=C/C(=O)OC 62a_100000210314_100000742655 [0,2,0,0,0,0|1,0,1]=4 1062 B13R0.147 CCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210757 [0,2,0,0,0,0|1,0,1]=4 1063 B13R0.147 CCCCCNN=CC=CC(=O)OC 4a_100000694160_100016254430 [0,2,0,0,0,0|2,0,0]=4 1064 B13R0.336 C/C=C/C=C/CCCCCCCOC 34a_100020681108_200000210301 [0,2,0,0,0,0|1,0,1]=4 1065 B13R0.336 C/C=C/C=C/CCCCCCCOC 7a_100020681108_200000210301 [0,2,0,0,0,0|1,0,1]=4 1066 B13R0.336 C/C=C/C=C/CCCCCCCO[13CH3] 34a_100020681108_200025704644 [0,2,0,0,0,0|1,0,1]=4 1067 B13R0.336 C/C=C/C=C/CCCCCCCO[13CH3] 7a_100020681108_200025704644 [0,2,0,0,0,0|1,0,1]=4 1068 B13R0.336 C/C=C/C=C/COCCCCCCC 34a_100016283227_100000210614 [0,2,0,0,0,0|1,0,1]=4 1069 B13R0.336 C/C=C/C=C/COCCCCCCF 34a_100016283227_100015922095 [0,2,0,0,0,0|1,0,1]=4 1070 B13R0.336 C/C=C/C=C/COCCCCCCO 34a_100016283227_100000766143 [0,2,0,0,0,0|1,0,1]=4 1071 B13R0.336 C/C=C/C=C/COCCOCCCC 34a_100016283227_100000743108 [0,2,0,0,0,0|1,0,1]=4 1072 B13R0.336 C/C=C/COC/C=C/CCCCCC 34a_200016276170_100102629194 [0,2,0,0,0,0|1,0,1]=4 1073 B13R0.336 C/C=C/COC/C=C/CCCCCC 7a_200016276170_100102629194 [0,2,0,0,0,0|1,0,1]=4 1074 B13R0.336 CC/C=C/C/C=C/CCOCCCC 34a_200016273837_100000210210 [0,2,0,0,0,0|1,0,1]=4 1075 B13R0.336 CC/C=C/C/C=C/CCOCCCC 7a_200016273837_100000210211 [0,2,0,0,0,0|1,0,1]=4 1076 B13R0.336 CC=CCOC/C=C/CCCCCC 34a_200016276170_100000070051 [0,2,0,0,0,0|1,0,1]=4 1077 B13R0.336 CC=CCOC/C=C/CCCCCC 7a_200016276170_100000070051 [0,2,0,0,0,0|1,0,1]=4 1078 B13R0.336 CCC/C=C/C=C/COCCCCC 34a_100016294078_100000718602 [0,2,0,0,0,0|1,0,1]=4 1079 B13R0.336 CCC=CC=CC=NNCCCCC 4a_100000694160_100103038579 [0,2,0,0,0,0|2,0,0]=4 1080 B13R0.336 CCCCC/C=C/C=C/COCC=O 34a_200014065772_200009817547 [0,2,0,0,0,0|0,0,2]=4 1081 B13R0.336 CCCCC/C=C/C=C/COCC=O 7a_200014065772_200015260668 [0,2,0,0,0,0|0,0,2]=4 1082 B13R0.336 CCCCCC/C=C/C=C/COCC 34a_200028454808_100000210202 [0,2,0,0,0,0|0,0,2]=4 1083 B13R0.336 CCCCCC/C=C/C=C/COCC 7a_200028454808_100000210202 [0,2,0,0,0,0|0,0,2]=4 1084 B13R0.336 CCCCCC/C=C/C=C/COCF 34a_200028454808_100015361967 [0,2,0,0,0,0|0,0,2]=4 1085 B13R0.336 CCCCCC/C=C/C=C/COCF 7a_200028454808_100015361967 [0,2,0,0,0,0|0,0,2]=4 1086 B13R0.336 CCCCCCC/C=C/C=C/COC 34a_200025756345_200000210301 [0,2,0,0,0,0|0,0,2]=4 1087 B13R0.336 CCCCCCC/C=C/C=C/COC 7a_200025756345_200000210301 [0,2,0,0,0,0|0,0,2]=4 1088 B13R0.336 CCCCCCC/C=C/C=C/CO[13CH3] 34a_200025756345_200025704644 [0,2,0,0,0,0|0,0,2]=4 1089 B13R0.336 CCCCCCC/C=C/C=C/CO[13CH3] 7a_200025756345_200025704644 [0,2,0,0,0,0|0,0,2]=4 1090 B13R0.338 C#CCCCCCC(=O)C=C/C=C/C 1458a_100000185730_100012094781 [0,2,0,0,0,0|1,0,1]=4 1091 B13R0.338 C/C=C/C=C/COC(C)CCCCC 34a_100016283227_200011218191 [0,2,0,0,0,0|1,0,1]=4 1092 B13R0.338 C/C=C/C=CC(=NNCCCCC)C 4a_100000694160_100016268696 [0,2,0,0,0,0|2,0,0]=4 1093 B13R0.338 C/C=C/C=CC(=O)CCCCCC#N 1458a_100000185730_100009813376 [0,2,0,0,0,0|1,0,1]=4 1094 B13R0.338 C/C=C/C=CC(=O)CCCCCCC 1458a_100000185730_100000210614 [0,2,0,0,0,0|1,0,0]=3 1095 B13R0.338 C/C=C/C=CC(=O)CCCCCCF 1458a_100000185730_100015922095 [0,2,0,0,0,0|1,0,0]=3 1096 B13R0.338 C/C=C/C=CC(=O)CCCCCCO 1458a_100000185730_100000766143 [0,2,0,0,0,0|1,0,0]=3 1097 B13R0.338 C/C=C/C=CC(=O)CCOCCCC 1458a_100000185730_100000743108 [0,2,0,0,0,0|1,0,0]=3 1098 B13R0.338 C/C=C/C=CC(=O)CCOCCOC 1458a_100000185730_100000695917 [0,2,0,0,0,0|2,0,0]=4 1099 B13R0.338 C/C=C/C=CC(=O)NCCCCCC 11a_100000210581_100000185730 [0,2,0,0,0,0|1,0,0]=3 1100 B13R0.338 C/C=C/C=CC(=O)NCCCCCC 1626a_100000210581_100000185730 [0,2,0,0,0,0|1,0,0]=3 1101 B13R0.338 C/C=C/C=CC(=O)NCCCCCC 240690a_100000210581_100000185730 [0,2,0,0,0,0|1,0,0]=3 1102 B13R0.338 C/C=C/C=CC(=O)NCCCCCO 240690a_100000762737_100000185730 [0,2,0,0,0,0|2,0,0]=4 1103 B13R0.338 C/C=C/C=CC(=O)NCCCOCC 11a_100000210961_100000185730 [0,2,0,0,0,0|2,0,0]=4 1104 B13R0.338 C/C=C/C=CC(=O)NCCCOCC 1626a_100000210961_100000185730 [0,2,0,0,0,0|2,0,0]=4 1105 B13R0.338 C/C=C/C=CC(=O)NCCCOCC 240690a_100000210961_100000185730 [0,2,0,0,0,0|2,0,0]=4 1106 B13R0.338 C/C=C/C=CC(=O)NCCOCCC 1626a_100161115042_100000185730 [0,2,0,0,0,0|2,0,0]=4 1107 B13R0.338 C/C=C/C=CC(=O)NCCOCCC 240690a_100161115042_100000185730 [0,2,0,0,0,0|2,0,0]=4 1108 B13R0.338 C/C=C/C=CC(=O)NCCSCCC 11a_100020603323_100000185730 [0,2,0,0,0,0|2,0,0]=4 1109 B13R0.338 C/C=C/C=CC(=O)NCCSCCC 240690a_100020603323_100000185730 [0,2,0,0,0,0|2,0,0]=4 1110 B13R0.338 C/C=C/C=CC(=O)NNCCCCC 22a_100000694160_100000185730 [0,2,0,0,0,0|2,0,0]=4 1111 B13R0.338 C=CCCCCCC(=O)C=C/C=C/C 1458a_100000185730_100000700193 [0,2,0,0,0,0|1,0,1]=4 1112 B13R0.1 C=C(C=NNC(=O)C)CCCCCC 4a_100000189765_100000091085 [0,2,0,0,0,0|2,0,0]=4 1113 B13R0.188 C/C=C/C=CC(=O)CCCCC(=O)C 1458a_100000185730_100000735457 [0,2,0,0,0,0|1,0,1]=4 1114 B13R0.188 C/C=C/C=CC(=O)CCCCC(C)C 1458a_100000185730_100011216152 [0,2,0,0,0,0|1,0,0]=3 1115 B13R0.188 C/C=C/C=CC(=O)NCCCC(C)C 11a_200000737386_100000185730 [0,2,0,0,0,0|2,0,0]=4 1116 B13R0.188 C/C=C/C=CC(=O)NCCCC(C)C 1626a_200000737386_100000185730 [0,2,0,0,0,0|2,0,0]=4 1117 B13R0.188 C/C=C/C=CC(=O)NCCCC(C)C 240690a_200000737386_100000185730 [0,2,0,0,0,0|2,0,0]=4 1118 B13R0.194 C/C=C/C=CC(=O)CCCN(C)CC 1458a_100000185730_100015186262 [0,2,0,0,0,0|2,0,0]=4 1119 B13R0.194 C/C=C/C=CC(=O)NCCC(C)CC 11a_100020591266_100000185730 [0,2,0,0,0,0|2,0,0]=4 1120 B13R0.194 C/C=C/C=CC(=O)NCCC(C)CC 1626a_100020591266_100000185730 [0,2,0,0,0,0|2,0,0]=4 1121 B13R0.194 C/C=C/C=CC(=O)NCCC(C)CC 240690a_100020591266_100000185730 [0,2,0,0,0,0|2,0,0]=4 1122 B13R0.195 C/C=C/C=CC(=O)NC(C)CCCC 11a_100000126638_100000185730 [0,2,0,0,0,0|2,0,0]=4 1123 B13R0.195 C/C=C/C=CC(=O)NC(C)CCCC 1626a_100000126638_100000185730 [0,2,0,0,0,0|2,0,0]=4 1124 B13R0.195 C/C=C/C=CC(=O)NC(C)CCCC 240690a_100000126638_100000185730 [0,2,0,0,0,0|2,0,0]=4 1125 B13R0.195 C=CC=CC(=O)NC(C)CCCCC 1626a_100000211957_100016291481 [0,2,0,0,0,0|2,0,0]=4 1126 B13R0.398 C/C=C/C=CC(=O)C(C)CCCCC 1458a_100000185730_200011218191 [0,2,0,0,0,0|1,0,0]=3 1127 B13R0.398 C/C=C/C=CC(=O)N(C)CCCCC 11a_100000223495_100000185730 [0,2,0,0,0,0|2,0,0]=4 1128 B13R0.398 C/C=C/C=CC(=O)N(C)CCCCC 1626a_100000223495_100000185730 [0,2,0,0,0,0|2,0,0]=4 1129 B13R0.398 C/C=C/C=CC(=O)N(C)CCCCC 240690a_100000223495_100000185730 [0,2,0,0,0,0|2,0,0]=4 1130 B13R0.1170 CC=C(C)C=CC(=O)CCCCCC 1458a_100000692105_100000210757 [0,2,0,0,0,0|1,0,0]=3 1131 B13R0.1170 CC=C(C)C=CC(=O)CCCCCF 1458a_100000692105_100000729378 [0,2,0,0,0,0|2,0,0]=4 1132 B13R0.1170 CC=C(C)C=CC(=O)CCCCCO 1458a_100000692105_100000746330 [0,2,0,0,0,0|2,0,0]=4 1133 B13R0.1170 CC=C(C)C=CC(=O)CCCCOC 1458a_100000692105_100000755781 [0,2,0,0,0,0|2,0,0]=4 1134 B13R0.1170 CC=C(C)C=CC(=O)CCCOCC 1458a_100000692105_100012232248 [0,2,0,0,0,0|2,0,0]=4 1135 B13R0.1170 CC=C(C)C=CC(=O)CCOCCC 1458a_100000692105_100011215938 [0,2,0,0,0,0|2,0,0]=4 1136 B13R0.1170 CC=C(C)C=CC(=O)COCCCC 1458a_100000692105_100011995733 [0,2,0,0,0,0|2,0,0]=4 1137 B13R0.1170 CC=C(C)C=CC(=O)NCCCCC 1626a_100000209983_100000692105 [0,2,0,0,0,0|2,0,0]=4 1138 B13R0.1170 CCCCCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210757 [0,2,0,0,0,0|2,0,0]=4 1139 B13R0.1171 C=CC=CC(=O)C(C)CCCCCC 1458a_100016291481_100011215978 [0,2,0,0,0,0|1,0,1]=4 1140 B13R0.1171 C=CC=CC(=O)N(C)CCCCCC 1626a_106256046315_100016291481 [0,2,0,0,0,0|2,0,0]=4 1141 B13R0.119 C=CC=CC(=O)CCCCCC(C)C 1458a_100016291481_100000210682 [0,2,0,0,0,0|1,0,1]=4 1142 B13R0.150 CCCCCCC=NNC(=O)C(=O)N 4a_100000211141_100000234349 [0,2,0,0,0,0|2,0,0]=4 1143 B11R1.4 CCCCC=Cc1ccco1 271570a_100016275911_100009814098 [1,0,0,1,0,0|0,0,2]=4 1144 B11R1.4 CCCCC=Cc1cccs1 271570a_100016275911_100011215356 [1,0,0,1,0,0|0,1,1]=4 1145 B11R1.4 CCCCCOc1ccsc1 34a_100000106738_100000718602 [1,0,0,1,0,0|2,0,0]=4 1146 B11R1.4 CCCCCOc1ccsc1 7a_100000106738_100000210326 [1,0,0,1,0,0|2,0,0]=4 1147 B11R1.4 CCCCCSc1ccco1 62a_100000210326_100009814098 [1,0,0,1,0,0|1,0,1]=4 1148 B11R1.4 CCCCCSc1ccco1 62a_100009814098_100000210326 [1,0,0,1,0,0|1,0,1]=4 1149 B11R1.4 CCCCCSc1cccs1 62a_100000210326_100011215356 [1,0,0,1,0,0|1,1,0]=4 1150 B11R1.4 CCCCCSc1cccs1 62a_100011215356_100000210326 [1,0,0,1,0,0|1,1,0]=4 1151 B11R1.4 CCCCCSc1ccoc1 62a_100000210326_100011215275 [1,0,0,1,0,0|2,0,0]=4 1152 B11R1.4 CCCCCSc1ccoc1 62a_100011215275_100000210326 [1,0,0,1,0,0|2,0,0]=4 1153 B11R1.4 CCCCCSc1ccsc1 62a_100000210326_100000738268 [1,0,0,1,0,0|2,0,0]=4 1154 B11R1.4 CCCCCSc1ccsc1 62a_100000738268_100000210326 [1,0,0,1,0,0|2,0,0]=4 1155 B11R1.4 CCCCNCc1ccco1 207a_100000102301_100000186105 [1,0,0,1,0,0|1,0,1]=4 1156 B11R1.4 CCCCNCc1ccco1 2230a_100000185738_100000210211 [1,0,0,1,0,0|1,0,1]=4 1157 B11R1.4 CCCCNCc1ccco1 270004a_100000102301_100000186105 [1,0,0,1,0,0|1,0,1]=4 1158 B11R1.4 CCCCNCc1ccco1 34a_100000185738_100000210210 [1,0,0,1,0,0|1,0,1]=4 1159 B11R1.4 CCCCNCc1cccs1 207a_100000102301_100000209959 [1,0,0,1,0,0|1,1,0]=4 1160 B11R1.4 CCCCNCc1cccs1 2230a_100000211653_100000210211 [1,0,0,1,0,0|1,1,0]=4 1161 B11R1.4 CCCCNCc1cccs1 270004a_100000102301_100000209959 [1,0,0,1,0,0|1,1,0]=4 1162 B11R1.4 CCCCNCc1ccoc1 207a_100000102301_100011215517 [1,0,0,1,0,0|2,0,0]=4 1163 B11R1.4 CCCCNCc1ccoc1 2230a_100015206860_100000210211 [1,0,0,1,0,0|2,0,0]=4 1164 B11R1.4 CCCCNCc1ccoc1 270004a_100000102301_100011215517 [1,0,0,1,0,0|2,0,0]=4 1165 B11R1.4 CCCCNCc1ccoc1 34a_100015206860_100000210210 [1,0,0,1,0,0|2,0,0]=4 1166 B11R1.4 CCCCNCc1ccsc1 207a_100000102301_100000188534 [1,0,0,1,0,0|2,0,0]=4 1167 B11R1.4 CCCCNCc1ccsc1 2230a_100000102301_100011261437 [1,0,0,1,0,0|2,0,0]=4 1168 B11R1.4 CCCCNCc1ccsc1 2230a_100000186416_100000210211 [1,0,0,1,0,0|2,0,0]=4 1169 B11R1.4 CCCCNCc1ccsc1 270004a_100000102301_100000188534 [1,0,0,1,0,0|2,0,0]=4 1170 B11R1.4 CCCCNCc1ccsc1 34a_100000186416_100000210210 [1,0,0,1,0,0|2,0,0]=4 1171 B11R1.4 CCCCNCc1ccsc1 7a_106832991798_100011261437 [1,0,0,1,0,0|2,0,0]=4 1172 B11R1.4 CCCCOCc1ccco1 34a_100000210059_100000210210 [1,0,0,1,0,0|1,0,1]=4 1173 B11R1.4 CCCCOCc1cccs1 34a_100000211240_100000210210 [1,0,0,1,0,0|1,1,0]=4 1174 B11R1.4 CCCCOCc1ccoc1 34a_100011215357_100000210210 [1,0,0,1,0,0|2,0,0]=4 1175 B11R1.4 CCCCOCc1ccsc1 34a_100000210227_100011261437 [1,0,0,1,0,0|2,0,0]=4 1176 B11R1.4 CCCCOCc1ccsc1 34a_100011215551_100000210210 [1,0,0,1,0,0|2,0,0]=4 1177 B11R1.4 CCCCOCc1ccsc1 7a_100000210227_100011261437 [1,0,0,1,0,0|2,0,0]=4 1178 B11R1.4 CCCCSCc1ccsc1 62a_100000210211_100011233845 [1,0,0,1,0,0|2,0,0]=4 1179 B11R1.4 CCCCSCc1ccsc1 62a_100011261437_100000210210 [1,0,0,1,0,0|2,0,0]=4 1180 B11R1.4 CCCNCCc1ccco1 2230a_100000694680_100000210303 [1,0,0,1,0,0|1,0,1]=4 1181 B11R1.4 CCCNCCc1ccco1 34a_100000694680_100000210303 [1,0,0,1,0,0|1,0,1]=4 1182 B11R1.4 CCCNCCc1cccs1 2230a_100000203755_100000210303 [1,0,0,1,0,0|1,1,0]=4 1183 B11R1.4 CCCNCCc1cccs1 34a_100000203755_100000210303 [1,0,0,1,0,0|1,1,0]=4 1184 B11R1.4 CCCNCCc1ccsc1 2230a_100000692642_100000210303 [1,0,0,1,0,0|2,0,0]=4 1185 B11R1.4 CCCNCCc1ccsc1 34a_100000692642_100000210303 [1,0,0,1,0,0|2,0,0]=4 1186 B11R1.4 CCCNCCn1cccc1 34a_100011368172_100000210303 [1,0,0,1,0,0|2,0,0]=4 1187 B11R1.4 CCCOCCc1cccs1 34a_100000210258_100000748579 [1,0,0,1,0,0|1,1,0]=4 1188 B11R1.4 CCCOCCc1cccs1 34a_100011216825_100000210303 [1,0,0,1,0,0|1,1,0]=4 1189 B11R1.4 CCCOCCc1cccs1 7a_100011216825_100000210303 [1,0,0,1,0,0|1,1,0]=4 1190 B11R1.4 CCCOCCc1ccsc1 34a_100000748821_100000210303 [1,0,0,1,0,0|2,0,0]=4 1191 B11R1.4 CCCOCCn1cccc1 34a_100000179382_100000210303 [1,0,0,1,0,0|2,0,0]=4 1192 B11R1.4 CCCSCCc1cccs1 62a_100000210303_100000748579 [1,0,0,1,0,0|1,1,0]=4 1193 B11R1.4 CCCSCCc1cccs1 62a_100000748579_100000210303 [1,0,0,1,0,0|1,1,0]=4 1194 B11R1.4 CCCSCCn1cccc1 62a_100000210303_200000035178 [1,0,0,1,0,0|2,0,0]=4 1195 B11R1.4 CCCSCCn1cccc1 62a_200009811947_100000210303 [1,0,0,1,0,0|2,0,0]=4 1196 B11R1.4 CCNCCCc1cccs1 2230a_100015525214_100010992444 [1,0,0,1,0,0|1,1,0]=4 1197 B11R1.4 CCNCCCn1cccc1 2230a_100015525214_200009814367 [1,0,0,1,0,0|2,0,0]=4 1198 B11R1.4 CCOCCCc1cccs1 34a_100011713143_100000210202 [1,0,0,1,0,0|1,1,0]=4 1199 B11R1.4 CCOCCCc1cccs1 34a_100121572206_100010992444 [1,0,0,1,0,0|1,1,0]=4 1200 B11R1.4 CCOCCCc1cccs1 7a_100011713143_100000210202 [1,0,0,1,0,0|1,1,0]=4 1201 B11R1.4 CCOCCCc1ccsc1 34a_200000699776_100000210202 [1,0,0,1,0,0|2,0,0]=4 1202 B11R1.4 CCOCCCc1ccsc1 7a_200000699776_100000210202 [1,0,0,1,0,0|2,0,0]=4 1203 B11R1.4 CCOCCCn1cccc1 34a_100000179399_100000210202 [1,0,0,1,0,0|2,0,0]=4 1204 B11R1.4 CCOCCCn1cccc1 34a_100121572206_200009814367 [1,0,0,1,0,0|2,0,0]=4 1205 B11R1.4 CCOCCCn1cccc1 7a_100000179399_100000210202 [1,0,0,1,0,0|2,0,0]=4 1206 B11R1.4 CCSCCCc1cccs1 62a_100000210202_100010992444 [1,0,0,1,0,0|1,1,0]=4 1207 B11R1.4 CCSCCCc1cccs1 62a_100010992444_100000210202 [1,0,0,1,0,0|1,1,0]=4 1208 B11R1.4 CCSCCCn1cccc1 62a_100000210202_200009814367 [1,0,0,1,0,0|2,0,0]=4 1209 B11R1.4 CCSCCCn1cccc1 62a_200009814367_100000210202 [1,0,0,1,0,0|2,0,0]=4 1210 B11R1.17 CCCCc1c[nH]ccc1=O 271570a_100020621405_100009998708 [1,0,0,1,0,0|1,0,1]=4 1211 B11R1.17 CCCCc1ccc[nH]c1=O 271570a_100020621405_100000050042 [1,0,0,1,0,0|1,0,1]=4 1212 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [1,0,0,1,0,0|1,0,1]=4 1213 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [1,0,0,1,0,0|1,0,1]=4 1214 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [1,0,0,1,0,0|1,0,1]=4 1215 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [1,0,0,1,0,0|1,0,1]=4 1216 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [1,0,0,1,0,0|1,0,1]=4 1217 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [1,0,0,1,0,0|0,0,2]=4 1218 B11R1.17 CNCCn1ccccc1=O 2230a_100000687133_200000210301 [1,0,0,1,0,0|2,0,0]=4 1219 B11R1.17 [13CH3]NCCn1ccccc1=O 2230a_100000687133_200025704644 [1,0,0,1,0,0|2,0,0]=4 1220 B11R1.18 C=Cc1ccnn1CCCC 271570a_100011290941_200010264484 [1,0,0,1,0,0|2,0,0]=4 1221 B11R1.18 CCCCc1ccoc1C=O 271570a_100020621405_100000756499 [1,0,0,1,0,0|1,0,1]=4 1222 B11R1.18 CCCCc1ccsc1C=O 271570a_100020621405_100000766043 [1,0,0,1,0,0|1,0,1]=4 1223 B11R1.18 CCCCc1cscc1C=O 271570a_100020621405_100000685484 [1,0,0,1,0,0|1,0,1]=4 1224 B11R1.18 CCCCc1sccc1C=O 271570a_100020621405_100009816921 [1,0,0,1,0,0|1,0,1]=4 1225 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [1,0,0,1,0,0|1,0,1]=4 1226 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [1,0,0,1,0,0|1,0,1]=4 1227 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [1,0,0,1,0,0|1,0,1]=4 1228 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [1,0,0,1,0,0|1,0,1]=4 1229 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [1,0,0,1,0,0|1,0,1]=4 1230 B11R1.28 CCCCSc1ccccn1 62a_100000210211_100011216584 [1,0,0,1,0,0|2,0,0]=4 1231 B11R1.28 CCCCSc1ccccn1 62a_100011216584_100000210210 [1,0,0,1,0,0|2,0,0]=4 1232 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [1,0,0,1,0,0|1,0,1]=4 1233 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [1,0,0,1,0,0|1,0,1]=4 1234 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [1,0,0,1,0,0|1,0,1]=4 1235 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [1,0,0,1,0,0|1,0,1]=4 1236 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [1,0,0,1,0,0|2,0,0]=4 1237 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [1,0,0,1,0,0|2,0,0]=4 1238 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [1,0,0,1,0,0|1,0,1]=4 1239 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [1,0,0,1,0,0|1,0,1]=4 1240 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [1,0,0,1,0,0|1,0,1]=4 1241 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [1,0,0,1,0,0|2,0,0]=4 1242 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [1,0,0,1,0,0|1,0,1]=4 1243 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [1,0,0,1,0,0|1,0,1]=4 1244 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [1,0,0,1,0,0|2,0,0]=4 1245 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [1,0,0,1,0,0|2,0,0]=4 1246 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [1,0,0,1,0,0|1,0,1]=4 1247 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [1,0,0,1,0,0|1,0,1]=4 1248 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [1,0,0,1,0,0|1,0,1]=4 1249 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [1,0,0,1,0,0|2,0,0]=4 1250 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [1,0,0,1,0,0|1,0,1]=4 1251 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [1,0,0,1,0,0|1,0,1]=4 1252 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [1,0,0,1,0,0|1,0,1]=4 1253 B11R1.28 CCOCCc1ccccn1 34a_100000210271_100000210202 [1,0,0,1,0,0|2,0,0]=4 1254 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [1,0,0,1,0,0|1,0,1]=4 1255 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [1,0,0,1,0,0|1,0,1]=4 1256 B11R1.28 CCSCCc1ccccn1 62a_100000210202_100015183660 [1,0,0,1,0,0|2,0,0]=4 1257 B11R1.28 CCSCCc1ccccn1 62a_100015183660_100000210202 [1,0,0,1,0,0|2,0,0]=4 1258 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [1,0,0,1,0,0|1,0,1]=4 1259 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [1,0,0,1,0,0|1,0,1]=4 1260 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [1,0,0,1,0,0|1,0,1]=4 1261 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [1,0,0,1,0,0|1,0,1]=4 1262 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [1,0,0,1,0,0|1,0,1]=4 1263 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,0,0,1,0,0|1,0,1]=4 1264 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,0,0,1,0,0|1,0,1]=4 1265 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,0,0,1,0,0|1,0,1]=4 1266 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [1,0,0,1,0,0|2,0,0]=4 1267 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [1,0,0,1,0,0|1,0,1]=4 1268 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [1,0,0,1,0,0|1,0,1]=4 1269 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [1,0,0,1,0,0|1,0,1]=4 1270 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [1,0,0,1,0,0|1,0,1]=4 1271 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,0,0,1,0,0|1,0,1]=4 1272 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,0,0,1,0,0|1,0,1]=4 1273 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [1,0,0,1,0,0|2,0,0]=4 1274 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [1,0,0,1,0,0|1,0,1]=4 1275 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [1,0,0,1,0,0|1,0,1]=4 1276 B11R1.47 C/C=C/C=C/COC1CCC1 34a_100016283227_100000749161 [1,0,0,1,0,0|1,0,1]=4 1277 B11R1.99 C/C=C/C=C/COCC1CC1 34a_100016283227_100000742324 [1,0,0,1,0,0|1,0,1]=4 1278 B13R1.6 CCCCC=Cc1cccc(=O)[nH]1 271570a_100016275911_100000761760 [0,1,0,1,0,0|0,0,2]=4 1279 B13R1.6 CCCCCCc1cccc(c1)O 271570a_203496583355_100009816010 [0,1,0,1,0,0|0,0,1]=3 1280 B13R1.6 CCCCCNc1cc(ccn1)F 27a_100000209983_100000764206 [0,1,0,1,0,0|2,0,0]=4 1281 B13R1.6 CCCCCNc1cc[nH]c(=O)c1 27a_100000209983_100000061649 [0,1,0,1,0,0|2,0,0]=4 1282 B13R1.6 CCCCCNc1cc[nH]c(=O)n1 27a_100000209983_200000134032 [0,1,0,1,0,0|2,0,0]=4 1283 B13R1.6 CCCCCNc1cccc(c1)Br 34a_100000210019_100000718602 [0,1,0,1,0,0|2,0,0]=4 1284 B13R1.6 CCCCCNc1cccc(c1)C 2230a_100000188690_100000210326 [0,1,0,1,0,0|2,0,0]=4 1285 B13R1.6 CCCCCNc1cccc(c1)C 34a_100000188690_100000718602 [0,1,0,1,0,0|2,0,0]=4 1286 B13R1.6 CCCCCNc1cccc(c1)Cl 34a_100000185859_100000718602 [0,1,0,1,0,0|2,0,0]=4 1287 B13R1.6 CCCCCNc1cccc(c1)F 34a_100000210047_100000718602 [0,1,0,1,0,0|2,0,0]=4 1288 B13R1.6 CCCCCNc1cccc(c1)I 34a_100000211102_100000718602 [0,1,0,1,0,0|2,0,0]=4 1289 B13R1.6 CCCCCNc1cccc(c1)O 34a_100000210217_100000718602 [0,1,0,1,0,0|1,0,1]=4 1290 B13R1.6 CCCCCNc1cccc(n1)F 27a_100000209983_100009815982 [0,1,0,1,0,0|2,0,0]=4 1291 B13R1.6 CCCCCOc1cc[nH]c(=O)c1 34a_100000032262_100000718602 [0,1,0,1,0,0|2,0,0]=4 1292 B13R1.6 CCCCCOc1cccc(=O)[nH]1 34a_100000033347_100000718602 [0,1,0,1,0,0|1,0,0]=3 1293 B13R1.6 CCCCCOc1cccc(c1)Br 34a_100000210342_100000718602 [0,1,0,1,0,0|2,0,0]=4 1294 B13R1.6 CCCCCOc1cccc(c1)Br 7a_100000210342_100000210326 [0,1,0,1,0,0|2,0,0]=4 1295 B13R1.6 CCCCCOc1cccc(c1)C 34a_100000210337_100000718602 [0,1,0,1,0,0|2,0,0]=4 1296 B13R1.6 CCCCCOc1cccc(c1)C 7a_100000210337_100000210326 [0,1,0,1,0,0|2,0,0]=4 1297 B13R1.6 CCCCCOc1cccc(c1)Cl 34a_100000210295_100000718602 [0,1,0,1,0,0|2,0,0]=4 1298 B13R1.6 CCCCCOc1cccc(c1)Cl 7a_100000210295_100000210326 [0,1,0,1,0,0|2,0,0]=4 1299 B13R1.6 CCCCCOc1cccc(c1)F 34a_100000210426_100000718602 [0,1,0,1,0,0|2,0,0]=4 1300 B13R1.6 CCCCCOc1cccc(c1)F 7a_100000210426_100000210326 [0,1,0,1,0,0|2,0,0]=4 1301 B13R1.6 CCCCCOc1cccc(c1)I 34a_100000211634_100000718602 [0,1,0,1,0,0|2,0,0]=4 1302 B13R1.6 CCCCCOc1cccc(c1)I 7a_100000211634_100000210326 [0,1,0,1,0,0|2,0,0]=4 1303 B13R1.6 CCCCCOc1cccc(c1)N 34a_100000210217_100000718602 [0,1,0,1,0,0|2,0,0]=4 1304 B13R1.6 CCCCCOc1cccc(n1)F 34a_100011432558_100000718602 [0,1,0,1,0,0|2,0,0]=4 1305 B13R1.6 CCCCCSc1cc(=O)cc[nH]1 62a_100009817434_100000210326 [0,1,0,1,0,0|2,0,0]=4 1306 B13R1.6 CCCCCSc1cc(ccn1)C 62a_100000210326_100000750283 [0,1,0,1,0,0|2,0,0]=4 1307 B13R1.6 CCCCCSc1cc(ccn1)C 62a_100000750283_100000210326 [0,1,0,1,0,0|2,0,0]=4 1308 B13R1.6 CCCCCSc1cc(ccn1)Cl 62a_100000210326_100010167805 [0,1,0,1,0,0|2,0,0]=4 1309 B13R1.6 CCCCCSc1cc(ccn1)Cl 62a_100010167805_100000210326 [0,1,0,1,0,0|2,0,0]=4 1310 B13R1.6 CCCCCSc1cc(ccn1)F 62a_100000210326_100000764206 [0,1,0,1,0,0|2,0,0]=4 1311 B13R1.6 CCCCCSc1cc(ccn1)F 62a_100000764206_100000210326 [0,1,0,1,0,0|2,0,0]=4 1312 B13R1.6 CCCCCSc1cc(ccn1)N 62a_100000210326_100009814236 [0,1,0,1,0,0|2,0,0]=4 1313 B13R1.6 CCCCCSc1cc(ccn1)N 62a_100009814236_100000210326 [0,1,0,1,0,0|2,0,0]=4 1314 B13R1.6 CCCCCSc1cc(ccn1)O 62a_100000210326_100000762945 [0,1,0,1,0,0|2,0,0]=4 1315 B13R1.6 CCCCCSc1cc[nH]c(=O)c1 62a_100000210326_100009816521 [0,1,0,1,0,0|2,0,0]=4 1316 B13R1.6 CCCCCSc1cc[nH]c(=O)c1 62a_100009816521_100000210326 [0,1,0,1,0,0|2,0,0]=4 1317 B13R1.6 CCCCCSc1cc[nH]c(=O)n1 62a_100000210326_200000134032 [0,1,0,1,0,0|2,0,0]=4 1318 B13R1.6 CCCCCSc1cccc(=O)[nH]1 62a_100000210326_100000752884 [0,1,0,1,0,0|1,0,0]=3 1319 B13R1.6 CCCCCSc1cccc(c1)Br 62a_100000210326_100000691529 [0,1,0,1,0,0|2,0,0]=4 1320 B13R1.6 CCCCCSc1cccc(c1)Br 62a_100000691529_100000210326 [0,1,0,1,0,0|2,0,0]=4 1321 B13R1.6 CCCCCSc1cccc(c1)C 62a_100000210326_100011215228 [0,1,0,1,0,0|2,0,0]=4 1322 B13R1.6 CCCCCSc1cccc(c1)C 62a_100011215228_100000210326 [0,1,0,1,0,0|2,0,0]=4 1323 B13R1.6 CCCCCSc1cccc(c1)Cl 62a_100000210326_100000699651 [0,1,0,1,0,0|2,0,0]=4 1324 B13R1.6 CCCCCSc1cccc(c1)Cl 62a_100000699651_100000210326 [0,1,0,1,0,0|2,0,0]=4 1325 B13R1.6 CCCCCSc1cccc(c1)F 62a_100000210326_100000685547 [0,1,0,1,0,0|2,0,0]=4 1326 B13R1.6 CCCCCSc1cccc(c1)F 62a_100000685547_100000210326 [0,1,0,1,0,0|2,0,0]=4 1327 B13R1.6 CCCCCSc1cccc(c1)N 62a_100000210019_100000210326 [0,1,0,1,0,0|2,0,0]=4 1328 B13R1.6 CCCCCSc1cccc(c1)N 62a_100000210326_100000210019 [0,1,0,1,0,0|2,0,0]=4 1329 B13R1.6 CCCCCSc1cccc(c1)O 62a_100000210326_100000211634 [0,1,0,1,0,0|1,0,1]=4 1330 B13R1.6 CCCCCSc1cccc(c1)[S] 62a_100000210326_114929384022 [0,1,0,1,0,0|1,1,0]=4 1331 B13R1.6 CCCCCSc1cccc(c1)[S] 62a_114929384022_100000210326 [0,1,0,1,0,0|1,1,0]=4 1332 B13R1.6 CCCCCSc1cccc(n1)Br 62a_100000210326_100000684672 [0,1,0,1,0,0|2,0,0]=4 1333 B13R1.6 CCCCCSc1cccc(n1)Br 62a_100000684672_100000210326 [0,1,0,1,0,0|2,0,0]=4 1334 B13R1.6 CCCCCSc1cccc(n1)C 62a_100000210326_100000742759 [0,1,0,1,0,0|2,0,0]=4 1335 B13R1.6 CCCCCSc1cccc(n1)C 62a_100000742759_100000210326 [0,1,0,1,0,0|2,0,0]=4 1336 B13R1.6 CCCCCSc1cccc(n1)Cl 62a_100000051397_100000210326 [0,1,0,1,0,0|2,0,0]=4 1337 B13R1.6 CCCCCSc1cccc(n1)Cl 62a_100000210326_100000051397 [0,1,0,1,0,0|2,0,0]=4 1338 B13R1.6 CCCCCSc1cccc(n1)F 62a_100000210326_100009815982 [0,1,0,1,0,0|2,0,0]=4 1339 B13R1.6 CCCCCSc1cccc(n1)F 62a_100009815982_100000210326 [0,1,0,1,0,0|2,0,0]=4 1340 B13R1.6 CCCCCSc1cccc(n1)N 62a_100000210326_100000740741 [0,1,0,1,0,0|2,0,0]=4 1341 B13R1.6 CCCCCSc1cccc(n1)N 62a_100000740741_100000210326 [0,1,0,1,0,0|2,0,0]=4 1342 B13R1.6 CCCCNCc1cc(ccn1)Br 2230a_100000102301_100010173614 [0,1,0,1,0,0|2,0,0]=4 1343 B13R1.6 CCCCNCc1cc(ccn1)Br 270004a_100000102301_100009818557 [0,1,0,1,0,0|2,0,0]=4 1344 B13R1.6 CCCCNCc1cc(ccn1)Br 7a_106832991798_100010173614 [0,1,0,1,0,0|2,0,0]=4 1345 B13R1.6 CCCCNCc1cc(ccn1)C 207a_100000102301_100011361488 [0,1,0,1,0,0|2,0,0]=4 1346 B13R1.6 CCCCNCc1cc(ccn1)C 2230a_100000102301_100000718516 [0,1,0,1,0,0|2,0,0]=4 1347 B13R1.6 CCCCNCc1cc(ccn1)C 270004a_100000102301_100011361488 [0,1,0,1,0,0|2,0,0]=4 1348 B13R1.6 CCCCNCc1cc(ccn1)C 7a_106832991798_100000718516 [0,1,0,1,0,0|2,0,0]=4 1349 B13R1.6 CCCCNCc1cc(ccn1)Cl 2230a_100000102301_100016988179 [0,1,0,1,0,0|2,0,0]=4 1350 B13R1.6 CCCCNCc1cc(ccn1)Cl 270004a_100000102301_100011998288 [0,1,0,1,0,0|2,0,0]=4 1351 B13R1.6 CCCCNCc1cc(ccn1)Cl 7a_106832991798_100016988179 [0,1,0,1,0,0|2,0,0]=4 1352 B13R1.6 CCCCNCc1cccc(=O)[nH]1 207a_100000102301_100011935257 [0,1,0,1,0,0|1,0,0]=3 1353 B13R1.6 CCCCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210211 [0,1,0,1,0,0|1,0,0]=3 1354 B13R1.6 CCCCNCc1cccc(c1)Br 207a_100000102301_100000210085 [0,1,0,1,0,0|2,0,0]=4 1355 B13R1.6 CCCCNCc1cccc(c1)Br 2230a_100000102301_100000698116 [0,1,0,1,0,0|2,0,0]=4 1356 B13R1.6 CCCCNCc1cccc(c1)Br 2230a_100000174977_100000210211 [0,1,0,1,0,0|2,0,0]=4 1357 B13R1.6 CCCCNCc1cccc(c1)Br 270004a_100000102301_100000210085 [0,1,0,1,0,0|2,0,0]=4 1358 B13R1.6 CCCCNCc1cccc(c1)Br 34a_100000174977_100000210210 [0,1,0,1,0,0|2,0,0]=4 1359 B13R1.6 CCCCNCc1cccc(c1)Br 7a_106832991798_100000211773 [0,1,0,1,0,0|2,0,0]=4 1360 B13R1.6 CCCCNCc1cccc(c1)C 207a_100000102301_100000211157 [0,1,0,1,0,0|2,0,0]=4 1361 B13R1.6 CCCCNCc1cccc(c1)C 2230a_100000102301_100000211840 [0,1,0,1,0,0|2,0,0]=4 1362 B13R1.6 CCCCNCc1cccc(c1)C 2230a_100000185548_100000210211 [0,1,0,1,0,0|2,0,0]=4 1363 B13R1.6 CCCCNCc1cccc(c1)C 270004a_100000102301_100000211157 [0,1,0,1,0,0|2,0,0]=4 1364 B13R1.6 CCCCNCc1cccc(c1)C 34a_100000185548_100000210210 [0,1,0,1,0,0|2,0,0]=4 1365 B13R1.6 CCCCNCc1cccc(c1)C 7a_106832991798_100000211840 [0,1,0,1,0,0|2,0,0]=4 1366 B13R1.6 CCCCNCc1cccc(c1)Cl 207a_100000102301_100000210801 [0,1,0,1,0,0|2,0,0]=4 1367 B13R1.6 CCCCNCc1cccc(c1)Cl 2230a_100000102301_100000181238 [0,1,0,1,0,0|2,0,0]=4 1368 B13R1.6 CCCCNCc1cccc(c1)Cl 2230a_100000174878_100000210211 [0,1,0,1,0,0|2,0,0]=4 1369 B13R1.6 CCCCNCc1cccc(c1)Cl 270004a_100000102301_100000210801 [0,1,0,1,0,0|2,0,0]=4 1370 B13R1.6 CCCCNCc1cccc(c1)Cl 34a_100000174878_100000210210 [0,1,0,1,0,0|2,0,0]=4 1371 B13R1.6 CCCCNCc1cccc(c1)Cl 7a_106832991798_100000187163 [0,1,0,1,0,0|2,0,0]=4 1372 B13R1.6 CCCCNCc1cccc(c1)F 207a_100000102301_100000210812 [0,1,0,1,0,0|2,0,0]=4 1373 B13R1.6 CCCCNCc1cccc(c1)F 2230a_100000102301_100000230114 [0,1,0,1,0,0|2,0,0]=4 1374 B13R1.6 CCCCNCc1cccc(c1)F 2230a_100000174948_100000210211 [0,1,0,1,0,0|2,0,0]=4 1375 B13R1.6 CCCCNCc1cccc(c1)F 270004a_100000102301_100000210812 [0,1,0,1,0,0|2,0,0]=4 1376 B13R1.6 CCCCNCc1cccc(c1)F 34a_100000174948_100000210210 [0,1,0,1,0,0|2,0,0]=4 1377 B13R1.6 CCCCNCc1cccc(c1)F 7a_106832991798_100000230114 [0,1,0,1,0,0|2,0,0]=4 1378 B13R1.6 CCCCNCc1cccc(c1)I 207a_100000102301_100000014684 [0,1,0,1,0,0|2,0,0]=4 1379 B13R1.6 CCCCNCc1cccc(c1)I 2230a_100000102301_100011218688 [0,1,0,1,0,0|2,0,0]=4 1380 B13R1.6 CCCCNCc1cccc(c1)I 2230a_100000106179_100000210211 [0,1,0,1,0,0|2,0,0]=4 1381 B13R1.6 CCCCNCc1cccc(c1)I 270004a_100000102301_100000014684 [0,1,0,1,0,0|2,0,0]=4 1382 B13R1.6 CCCCNCc1cccc(c1)I 34a_100000106179_100000210210 [0,1,0,1,0,0|2,0,0]=4 1383 B13R1.6 CCCCNCc1cccc(c1)I 7a_106832991798_100011218688 [0,1,0,1,0,0|2,0,0]=4 1384 B13R1.6 CCCCNCc1cccc(c1)O 207a_100000102301_100000188321 [0,1,0,1,0,0|1,0,1]=4 1385 B13R1.6 CCCCNCc1cccc(c1)O 2230a_100000102301_100011660834 [0,1,0,1,0,0|1,0,1]=4 1386 B13R1.6 CCCCNCc1cccc(c1)O 2230a_100000743036_100000210211 [0,1,0,1,0,0|1,0,1]=4 1387 B13R1.6 CCCCNCc1cccc(c1)O 270004a_100000102301_100000188321 [0,1,0,1,0,0|1,0,1]=4 1388 B13R1.6 CCCCNCc1cccc(c1)O 271570a_203496583355_100015186518 [0,1,0,1,0,0|1,0,1]=4 1389 B13R1.6 CCCCNCc1cccc(c1)O 34a_100000743036_100000210210 [0,1,0,1,0,0|1,0,1]=4 1390 B13R1.6 CCCCNCc1cccc(c1)O 7a_106832991798_100000084143 [0,1,0,1,0,0|1,0,1]=4 1391 B13R1.6 CCCCNCc1cccc(n1)Br 2230a_100000102301_100009889011 [0,1,0,1,0,0|2,0,0]=4 1392 B13R1.6 CCCCNCc1cccc(n1)Br 2230a_100016987751_100000210211 [0,1,0,1,0,0|2,0,0]=4 1393 B13R1.6 CCCCNCc1cccc(n1)Br 270004a_100000102301_100000688028 [0,1,0,1,0,0|2,0,0]=4 1394 B13R1.6 CCCCNCc1cccc(n1)Br 7a_106832991798_100009889011 [0,1,0,1,0,0|2,0,0]=4 1395 B13R1.6 CCCCNCc1cccc(n1)C 207a_100000102301_100011215050 [0,1,0,1,0,0|2,0,0]=4 1396 B13R1.6 CCCCNCc1cccc(n1)C 2230a_100000102301_100000757606 [0,1,0,1,0,0|2,0,0]=4 1397 B13R1.6 CCCCNCc1cccc(n1)C 270004a_100000102301_100011215050 [0,1,0,1,0,0|2,0,0]=4 1398 B13R1.6 CCCCNCc1cccc(n1)C 34a_100000701342_100000210210 [0,1,0,1,0,0|2,0,0]=4 1399 B13R1.6 CCCCNCc1cccc(n1)C 7a_106832991798_100000757606 [0,1,0,1,0,0|2,0,0]=4 1400 B13R1.6 CCCCNCc1cccc(n1)Cl 2230a_100000102301_100000086093 [0,1,0,1,0,0|2,0,0]=4 1401 B13R1.6 CCCCNCc1cccc(n1)Cl 2230a_100016990191_100000210211 [0,1,0,1,0,0|2,0,0]=4 1402 B13R1.6 CCCCNCc1cccc(n1)Cl 270004a_100000102301_100011361687 [0,1,0,1,0,0|2,0,0]=4 1403 B13R1.6 CCCCNCc1cccc(n1)Cl 7a_106832991798_100000086093 [0,1,0,1,0,0|2,0,0]=4 1404 B13R1.6 CCCCNCc1cccc(n1)F 2230a_100000102301_100009819644 [0,1,0,1,0,0|2,0,0]=4 1405 B13R1.6 CCCCNCc1cccc(n1)F 2230a_100015188798_100000210211 [0,1,0,1,0,0|2,0,0]=4 1406 B13R1.6 CCCCNCc1cccc(n1)F 270004a_100000102301_100000050434 [0,1,0,1,0,0|2,0,0]=4 1407 B13R1.6 CCCCNCc1cccc(n1)F 34a_100015188798_100000210210 [0,1,0,1,0,0|2,0,0]=4 1408 B13R1.6 CCCCNCc1cccc(n1)F 7a_106832991798_100009819644 [0,1,0,1,0,0|2,0,0]=4 1409 B13R1.6 CCCCOCc1cc(ccn1)Br 34a_100000210227_100010173614 [0,1,0,1,0,0|2,0,0]=4 1410 B13R1.6 CCCCOCc1cc(ccn1)Br 7a_100000210227_100010173614 [0,1,0,1,0,0|2,0,0]=4 1411 B13R1.6 CCCCOCc1cc(ccn1)C 34a_100000210227_100000718516 [0,1,0,1,0,0|2,0,0]=4 1412 B13R1.6 CCCCOCc1cc(ccn1)C 34a_100011998357_100000210210 [0,1,0,1,0,0|2,0,0]=4 1413 B13R1.6 CCCCOCc1cc(ccn1)C 7a_100000210227_100000718516 [0,1,0,1,0,0|2,0,0]=4 1414 B13R1.6 CCCCOCc1cc(ccn1)Cl 34a_100000210227_100016988179 [0,1,0,1,0,0|2,0,0]=4 1415 B13R1.6 CCCCOCc1cc(ccn1)Cl 34a_100000748867_100000210210 [0,1,0,1,0,0|2,0,0]=4 1416 B13R1.6 CCCCOCc1cc(ccn1)Cl 7a_100000210227_100016988179 [0,1,0,1,0,0|2,0,0]=4 1417 B13R1.6 CCCCOCc1cc(ccn1)N 34a_100000692640_100000210210 [0,1,0,1,0,0|2,0,0]=4 1418 B13R1.6 CCCCOCc1cccc(c1)Br 34a_100000210227_100000698116 [0,1,0,1,0,0|2,0,0]=4 1419 B13R1.6 CCCCOCc1cccc(c1)Br 34a_100000687537_100000210210 [0,1,0,1,0,0|2,0,0]=4 1420 B13R1.6 CCCCOCc1cccc(c1)Br 7a_100000210227_100000211773 [0,1,0,1,0,0|2,0,0]=4 1421 B13R1.6 CCCCOCc1cccc(c1)Br 7a_100000687537_100000210211 [0,1,0,1,0,0|2,0,0]=4 1422 B13R1.6 CCCCOCc1cccc(c1)C 34a_100000210227_100000211840 [0,1,0,1,0,0|2,0,0]=4 1423 B13R1.6 CCCCOCc1cccc(c1)C 34a_100011217746_100000210210 [0,1,0,1,0,0|2,0,0]=4 1424 B13R1.6 CCCCOCc1cccc(c1)C 7a_100000210227_100000211840 [0,1,0,1,0,0|2,0,0]=4 1425 B13R1.6 CCCCOCc1cccc(c1)C 7a_100011217746_100000210211 [0,1,0,1,0,0|2,0,0]=4 1426 B13R1.6 CCCCOCc1cccc(c1)Cl 34a_100000210227_100000187163 [0,1,0,1,0,0|2,0,0]=4 1427 B13R1.6 CCCCOCc1cccc(c1)Cl 34a_100000241301_100000210210 [0,1,0,1,0,0|2,0,0]=4 1428 B13R1.6 CCCCOCc1cccc(c1)Cl 7a_100000210227_100000187163 [0,1,0,1,0,0|2,0,0]=4 1429 B13R1.6 CCCCOCc1cccc(c1)Cl 7a_100000241301_100000210211 [0,1,0,1,0,0|2,0,0]=4 1430 B13R1.6 CCCCOCc1cccc(c1)F 34a_100000210227_100000187166 [0,1,0,1,0,0|2,0,0]=4 1431 B13R1.6 CCCCOCc1cccc(c1)F 34a_100000210976_100000210210 [0,1,0,1,0,0|2,0,0]=4 1432 B13R1.6 CCCCOCc1cccc(c1)F 7a_100000210227_100000230114 [0,1,0,1,0,0|2,0,0]=4 1433 B13R1.6 CCCCOCc1cccc(c1)F 7a_100000210976_100000210211 [0,1,0,1,0,0|2,0,0]=4 1434 B13R1.6 CCCCOCc1cccc(c1)I 34a_100000210227_100011218688 [0,1,0,1,0,0|2,0,0]=4 1435 B13R1.6 CCCCOCc1cccc(c1)I 34a_100011215336_100000210210 [0,1,0,1,0,0|2,0,0]=4 1436 B13R1.6 CCCCOCc1cccc(c1)I 7a_100000210227_100011218688 [0,1,0,1,0,0|2,0,0]=4 1437 B13R1.6 CCCCOCc1cccc(c1)I 7a_100011215336_100000210211 [0,1,0,1,0,0|2,0,0]=4 1438 B13R1.6 CCCCOCc1cccc(c1)N 34a_100000211919_100000210210 [0,1,0,1,0,0|2,0,0]=4 1439 B13R1.6 CCCCOCc1cccc(c1)O 34a_100000210227_100011660834 [0,1,0,1,0,0|1,0,1]=4 1440 B13R1.6 CCCCOCc1cccc(c1)O 7a_100000210227_100000084143 [0,1,0,1,0,0|1,0,1]=4 1441 B13R1.6 CCCCOCc1cccc(n1)Br 34a_100000210227_100009889011 [0,1,0,1,0,0|2,0,0]=4 1442 B13R1.6 CCCCOCc1cccc(n1)Br 34a_100000694195_100000210210 [0,1,0,1,0,0|2,0,0]=4 1443 B13R1.6 CCCCOCc1cccc(n1)Br 7a_100000210227_100009889011 [0,1,0,1,0,0|2,0,0]=4 1444 B13R1.6 CCCCOCc1cccc(n1)C 34a_100000210227_100000757606 [0,1,0,1,0,0|2,0,0]=4 1445 B13R1.6 CCCCOCc1cccc(n1)C 34a_100000690600_100000210210 [0,1,0,1,0,0|2,0,0]=4 1446 B13R1.6 CCCCOCc1cccc(n1)C 7a_100000210227_100000757606 [0,1,0,1,0,0|2,0,0]=4 1447 B13R1.6 CCCCOCc1cccc(n1)Cl 34a_100000210227_100000086093 [0,1,0,1,0,0|2,0,0]=4 1448 B13R1.6 CCCCOCc1cccc(n1)Cl 34a_100011998359_100000210210 [0,1,0,1,0,0|2,0,0]=4 1449 B13R1.6 CCCCOCc1cccc(n1)Cl 7a_100000210227_100000086093 [0,1,0,1,0,0|2,0,0]=4 1450 B13R1.6 CCCCOCc1cccc(n1)F 34a_100000086748_100000210210 [0,1,0,1,0,0|2,0,0]=4 1451 B13R1.6 CCCCOCc1cccc(n1)F 34a_100000210227_100009819644 [0,1,0,1,0,0|2,0,0]=4 1452 B13R1.6 CCCCOCc1cccc(n1)F 7a_100000210227_100009819644 [0,1,0,1,0,0|2,0,0]=4 1453 B13R1.6 CCCCSCc1cc(ccn1)Br 62a_100000210211_100010173614 [0,1,0,1,0,0|2,0,0]=4 1454 B13R1.6 CCCCSCc1cc(ccn1)Br 62a_100010173614_100000210210 [0,1,0,1,0,0|2,0,0]=4 1455 B13R1.6 CCCCSCc1cc(ccn1)C 62a_100000210211_100000718516 [0,1,0,1,0,0|2,0,0]=4 1456 B13R1.6 CCCCSCc1cc(ccn1)C 62a_100000718516_100000210210 [0,1,0,1,0,0|2,0,0]=4 1457 B13R1.6 CCCCSCc1cc(ccn1)Cl 62a_100000210211_100016988179 [0,1,0,1,0,0|2,0,0]=4 1458 B13R1.6 CCCCSCc1cc(ccn1)Cl 62a_100016988179_100000210210 [0,1,0,1,0,0|2,0,0]=4 1459 B13R1.6 CCCCSCc1cccc(c1)Br 62a_100000210211_100000211773 [0,1,0,1,0,0|2,0,0]=4 1460 B13R1.6 CCCCSCc1cccc(c1)Br 62a_100000211773_100000210210 [0,1,0,1,0,0|2,0,0]=4 1461 B13R1.6 CCCCSCc1cccc(c1)C 62a_100000210211_100000211840 [0,1,0,1,0,0|2,0,0]=4 1462 B13R1.6 CCCCSCc1cccc(c1)C 62a_100000211840_100000210210 [0,1,0,1,0,0|2,0,0]=4 1463 B13R1.6 CCCCSCc1cccc(c1)Cl 62a_100000187163_100000210210 [0,1,0,1,0,0|2,0,0]=4 1464 B13R1.6 CCCCSCc1cccc(c1)Cl 62a_100000210211_100000187163 [0,1,0,1,0,0|2,0,0]=4 1465 B13R1.6 CCCCSCc1cccc(c1)F 62a_100000210211_100000230114 [0,1,0,1,0,0|2,0,0]=4 1466 B13R1.6 CCCCSCc1cccc(c1)F 62a_100000230114_100000210210 [0,1,0,1,0,0|2,0,0]=4 1467 B13R1.6 CCCCSCc1cccc(c1)I 62a_100000210211_100011218688 [0,1,0,1,0,0|2,0,0]=4 1468 B13R1.6 CCCCSCc1cccc(c1)I 62a_100011218688_100000210210 [0,1,0,1,0,0|2,0,0]=4 1469 B13R1.6 CCCCSCc1cccc(c1)O 62a_100000210211_100011660834 [0,1,0,1,0,0|1,0,1]=4 1470 B13R1.6 CCCCSCc1cccc(c1)O 62a_100011660834_100000210210 [0,1,0,1,0,0|1,0,1]=4 1471 B13R1.6 CCCCSCc1cccc(n1)Br 62a_100000210211_100009889011 [0,1,0,1,0,0|2,0,0]=4 1472 B13R1.6 CCCCSCc1cccc(n1)Br 62a_100009889011_100000210210 [0,1,0,1,0,0|2,0,0]=4 1473 B13R1.6 CCCCSCc1cccc(n1)C 62a_100000210211_100000757606 [0,1,0,1,0,0|2,0,0]=4 1474 B13R1.6 CCCCSCc1cccc(n1)C 62a_100000757606_100000210210 [0,1,0,1,0,0|2,0,0]=4 1475 B13R1.6 CCCCSCc1cccc(n1)Cl 62a_100000086093_100000210210 [0,1,0,1,0,0|2,0,0]=4 1476 B13R1.6 CCCCSCc1cccc(n1)Cl 62a_100000210211_100000086093 [0,1,0,1,0,0|2,0,0]=4 1477 B13R1.6 CCCCSCc1cccc(n1)F 62a_100000210211_100009819644 [0,1,0,1,0,0|2,0,0]=4 1478 B13R1.6 CCCCSCc1cccc(n1)F 62a_100009819644_100000210210 [0,1,0,1,0,0|2,0,0]=4 1479 B13R1.6 CCCNCCc1cccc(c1)Br 2230a_100011207229_100000210303 [0,1,0,1,0,0|2,0,0]=4 1480 B13R1.6 CCCNCCc1cccc(c1)Br 34a_100011207229_100000210303 [0,1,0,1,0,0|2,0,0]=4 1481 B13R1.6 CCCNCCc1cccc(c1)C 2230a_100000749837_100000210303 [0,1,0,1,0,0|2,0,0]=4 1482 B13R1.6 CCCNCCc1cccc(c1)C 34a_100000749837_100000210303 [0,1,0,1,0,0|2,0,0]=4 1483 B13R1.6 CCCNCCc1cccc(c1)Cl 2230a_100000185263_100000210303 [0,1,0,1,0,0|2,0,0]=4 1484 B13R1.6 CCCNCCc1cccc(c1)Cl 34a_100000185263_100000210303 [0,1,0,1,0,0|2,0,0]=4 1485 B13R1.6 CCCNCCc1cccc(c1)F 2230a_100000205154_100000210303 [0,1,0,1,0,0|2,0,0]=4 1486 B13R1.6 CCCNCCc1cccc(c1)F 34a_100000205154_100000210303 [0,1,0,1,0,0|2,0,0]=4 1487 B13R1.6 CCCNCCc1cccc(c1)O 2230a_100000747277_100000210303 [0,1,0,1,0,0|1,0,1]=4 1488 B13R1.6 CCCNCCc1cccc(c1)O 34a_100000747277_100000210303 [0,1,0,1,0,0|1,0,1]=4 1489 B13R1.6 CCCNCCc1cccc(n1)C 2230a_100011824523_100000210303 [0,1,0,1,0,0|2,0,0]=4 1490 B13R1.6 CCCNCCc1cccc(n1)C 34a_100011824523_100000210303 [0,1,0,1,0,0|2,0,0]=4 1491 B13R1.6 CCCOCCc1cccc(c1)Br 34a_100000210258_100011740638 [0,1,0,1,0,0|2,0,0]=4 1492 B13R1.6 CCCOCCc1cccc(c1)Br 34a_100011217444_100000210303 [0,1,0,1,0,0|2,0,0]=4 1493 B13R1.6 CCCOCCc1cccc(c1)Br 7a_100011217444_100000210303 [0,1,0,1,0,0|2,0,0]=4 1494 B13R1.6 CCCOCCc1cccc(c1)C 34a_100000210258_100011713685 [0,1,0,1,0,0|2,0,0]=4 1495 B13R1.6 CCCOCCc1cccc(c1)C 34a_100011217157_100000210303 [0,1,0,1,0,0|2,0,0]=4 1496 B13R1.6 CCCOCCc1cccc(c1)C 7a_100011217157_100000210303 [0,1,0,1,0,0|2,0,0]=4 1497 B13R1.6 CCCOCCc1cccc(c1)Cl 34a_100000210258_100011713710 [0,1,0,1,0,0|2,0,0]=4 1498 B13R1.6 CCCOCCc1cccc(c1)Cl 34a_100000754733_100000210303 [0,1,0,1,0,0|2,0,0]=4 1499 B13R1.6 CCCOCCc1cccc(c1)Cl 7a_100000754733_100000210303 [0,1,0,1,0,0|2,0,0]=4 1500 B13R1.6 CCCOCCc1cccc(c1)F 34a_100000210258_100011217235 [0,1,0,1,0,0|2,0,0]=4 1501 B13R1.6 CCCOCCc1cccc(c1)F 34a_100000763591_100000210303 [0,1,0,1,0,0|2,0,0]=4 1502 B13R1.6 CCCOCCc1cccc(c1)F 7a_100000763591_100000210303 [0,1,0,1,0,0|2,0,0]=4 1503 B13R1.6 CCCOCCc1cccc(c1)N 34a_100011996697_100000210303 [0,1,0,1,0,0|2,0,0]=4 1504 B13R1.6 CCCOCCc1cccc(n1)Br 34a_100010221043_100000210303 [0,1,0,1,0,0|2,0,0]=4 1505 B13R1.6 CCCOCCc1cccc(n1)Br 7a_100010221043_100000210303 [0,1,0,1,0,0|2,0,0]=4 1506 B13R1.6 CCCSCCc1cccc(c1)Br 62a_100000210303_100011740638 [0,1,0,1,0,0|2,0,0]=4 1507 B13R1.6 CCCSCCc1cccc(c1)Br 62a_100011740638_100000210303 [0,1,0,1,0,0|2,0,0]=4 1508 B13R1.6 CCCSCCc1cccc(c1)C 62a_100000210303_100011713685 [0,1,0,1,0,0|2,0,0]=4 1509 B13R1.6 CCCSCCc1cccc(c1)C 62a_100011713685_100000210303 [0,1,0,1,0,0|2,0,0]=4 1510 B13R1.6 CCCSCCc1cccc(c1)Cl 62a_100000210303_100011713710 [0,1,0,1,0,0|2,0,0]=4 1511 B13R1.6 CCCSCCc1cccc(c1)Cl 62a_100011713710_100000210303 [0,1,0,1,0,0|2,0,0]=4 1512 B13R1.6 CCCSCCc1cccc(c1)F 62a_100000210303_100011217235 [0,1,0,1,0,0|2,0,0]=4 1513 B13R1.6 CCCSCCc1cccc(c1)F 62a_100011217235_100000210303 [0,1,0,1,0,0|2,0,0]=4 1514 B13R1.6 CCNCCCc1cccc(c1)Br 2230a_100000753791_100000210202 [0,1,0,1,0,0|2,0,0]=4 1515 B13R1.6 CCNCCCc1cccc(c1)Br 2230a_100015525214_100011713683 [0,1,0,1,0,0|2,0,0]=4 1516 B13R1.6 CCNCCCc1cccc(c1)Br 34a_100000753791_100000210202 [0,1,0,1,0,0|2,0,0]=4 1517 B13R1.6 CCNCCCc1cccc(c1)C 2230a_103496528808_100000210202 [0,1,0,1,0,0|2,0,0]=4 1518 B13R1.6 CCNCCCc1cccc(c1)C 34a_103496528808_100000210202 [0,1,0,1,0,0|2,0,0]=4 1519 B13R1.6 CCNCCCc1cccc(c1)Cl 2230a_100000704586_100000210202 [0,1,0,1,0,0|2,0,0]=4 1520 B13R1.6 CCNCCCc1cccc(c1)Cl 34a_100000704586_100000210202 [0,1,0,1,0,0|2,0,0]=4 1521 B13R1.6 CCNCCCc1cccc(c1)F 2230a_100000754185_100000210202 [0,1,0,1,0,0|2,0,0]=4 1522 B13R1.6 CCNCCCc1cccc(c1)F 2230a_100015525214_200000698031 [0,1,0,1,0,0|2,0,0]=4 1523 B13R1.6 CCNCCCc1cccc(c1)F 34a_100000754185_100000210202 [0,1,0,1,0,0|2,0,0]=4 1524 B13R1.6 CCOCCCc1cccc(c1)Br 34a_100011709248_100000210202 [0,1,0,1,0,0|2,0,0]=4 1525 B13R1.6 CCOCCCc1cccc(c1)Br 34a_100121572206_100011713683 [0,1,0,1,0,0|2,0,0]=4 1526 B13R1.6 CCOCCCc1cccc(c1)Br 7a_100011709248_100000210202 [0,1,0,1,0,0|2,0,0]=4 1527 B13R1.6 CCOCCCc1cccc(c1)Cl 34a_100011709246_100000210202 [0,1,0,1,0,0|2,0,0]=4 1528 B13R1.6 CCOCCCc1cccc(c1)Cl 7a_100011709246_100000210202 [0,1,0,1,0,0|2,0,0]=4 1529 B13R1.6 CCOCCCc1cccc(c1)F 34a_100121572206_200000698031 [0,1,0,1,0,0|2,0,0]=4 1530 B13R1.6 CCOCCCc1cccc(c1)N 34a_200000698965_100000210202 [0,1,0,1,0,0|2,0,0]=4 1531 B13R1.6 CCOCCCc1cccc(c1)N 7a_200000698965_100000210202 [0,1,0,1,0,0|2,0,0]=4 1532 B13R1.6 CCOCCCc1cccc(n1)C 34a_100000211354_100000210202 [0,1,0,1,0,0|2,0,0]=4 1533 B13R1.6 CCOCCOc1cccc(=O)[nH]1 34a_100000033347_100000210147 [0,1,0,1,0,0|2,0,0]=4 1534 B13R1.6 CCOCCSc1cccc(=O)[nH]1 62a_100000210147_100000752884 [0,1,0,1,0,0|2,0,0]=4 1535 B13R1.6 CCSCCCc1cccc(c1)Br 62a_100000210202_100011713683 [0,1,0,1,0,0|2,0,0]=4 1536 B13R1.6 CCSCCCc1cccc(c1)Br 62a_100011713683_100000210202 [0,1,0,1,0,0|2,0,0]=4 1537 B13R1.6 CCSCCCc1cccc(c1)F 62a_100000210202_200000698031 [0,1,0,1,0,0|2,0,0]=4 1538 B13R1.6 CCSCCCc1cccc(c1)F 62a_200000698031_100000210202 [0,1,0,1,0,0|2,0,0]=4 1539 B13R1.6 CCSCCOc1cccc(=O)[nH]1 34a_100000033347_100000757381 [0,1,0,1,0,0|2,0,0]=4 1540 B13R1.6 CCSCCSc1cccc(=O)[nH]1 62a_100000757381_100000752884 [0,1,0,1,0,0|2,0,0]=4 1541 B13R1.6 COCCCOc1cccc(=O)[nH]1 34a_100000033347_100000740836 [0,1,0,1,0,0|2,0,0]=4 1542 B13R1.6 COCCCSc1cccc(=O)[nH]1 62a_100000709357_100000752884 [0,1,0,1,0,0|2,0,0]=4 1543 B13R1.6 COCCNCc1cccc(=O)[nH]1 207a_100000209980_100011935257 [0,1,0,1,0,0|2,0,0]=4 1544 B13R1.6 COCCNCc1cccc(=O)[nH]1 2230a_100000696482_100011201679 [0,1,0,1,0,0|2,0,0]=4 1545 B13R1.6 CSCCNCc1cccc(=O)[nH]1 207a_100020590264_100011935257 [0,1,0,1,0,0|2,0,0]=4 1546 B13R1.6 CSCCNCc1cccc(=O)[nH]1 2230a_100000696482_100000751147 [0,1,0,1,0,0|2,0,0]=4 1547 B13R1.6 O=c1cccc([nH]1)CNCCCF 207a_100015189416_100011935257 [0,1,0,1,0,0|2,0,0]=4 1548 B13R1.6 O=c1cccc([nH]1)CNCCCF 2230a_100000696482_100011934791 [0,1,0,1,0,0|2,0,0]=4 1549 B13R1.6 O=c1cccc([nH]1)CNCCCO 207a_100000182051_100011935257 [0,1,0,1,0,0|2,0,0]=4 1550 B13R1.6 O=c1cccc([nH]1)CNCCCO 2230a_100000696482_100000230001 [0,1,0,1,0,0|2,0,0]=4 1551 B13R1.6 O=c1cccc([nH]1)OCCCCF 34a_100000033347_100000729493 [0,1,0,1,0,0|2,0,0]=4 1552 B13R1.6 O=c1cccc([nH]1)OCCCCO 34a_100000033347_100011216708 [0,1,0,1,0,0|2,0,0]=4 1553 B13R1.6 O=c1cccc([nH]1)SCCCCF 62a_100000729493_100000752884 [0,1,0,1,0,0|2,0,0]=4 1554 B13R1.6 O=c1cccc([nH]1)SCCCCO 62a_100000210776_100000752884 [0,1,0,1,0,0|2,0,0]=4 1555 B13R1.42 C=CCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210623 [0,1,0,1,0,0|1,0,1]=4 1556 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000185753_100000210303 [0,1,0,1,0,0|1,0,1]=4 1557 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000211992_100000765856 [0,1,0,1,0,0|1,0,1]=4 1558 B13R1.42 CCCC(=O)CCc1ccccn1 1458a_100000211992_100015183660 [0,1,0,1,0,0|1,0,1]=4 1559 B13R1.42 CCCC(=O)CCc1ccccn1 1458a_100015195070_100000210303 [0,1,0,1,0,0|1,0,1]=4 1560 B13R1.42 CCCC(C)CNc1ccccc1 34a_100000106764_100011216630 [0,1,0,1,0,0|2,0,0]=4 1561 B13R1.42 CCCC(C)COc1ccccc1 34a_100000210340_100011216630 [0,1,0,1,0,0|2,0,0]=4 1562 B13R1.42 CCCC(C)COc1ccccc1 7a_100000210340_100011216630 [0,1,0,1,0,0|2,0,0]=4 1563 B13R1.42 CCCC(C)CSc1ccccc1 62a_100000719477_100011216630 [0,1,0,1,0,0|2,0,0]=4 1564 B13R1.42 CCCC(C)CSc1ccccc1 62a_100011216630_100000041952 [0,1,0,1,0,0|2,0,0]=4 1565 B13R1.42 CCCC(C)CSc1ccccn1 62a_100011216584_100011216630 [0,1,0,1,0,0|2,0,0]=4 1566 B13R1.42 CCCC(C)CSc1ccccn1 62a_100011216630_100011216584 [0,1,0,1,0,0|2,0,0]=4 1567 B13R1.42 CCCC(C)NCc1ccccc1 207a_100000741246_100015611070 [0,1,0,1,0,0|2,0,0]=4 1568 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100000741246_100015291786 [0,1,0,1,0,0|2,0,0]=4 1569 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100015324214_100000766640 [0,1,0,1,0,0|2,0,0]=4 1570 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100000741246_100015611070 [0,1,0,1,0,0|2,0,0]=4 1571 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100015324214_100000211909 [0,1,0,1,0,0|2,0,0]=4 1572 B13R1.42 CCCC(C)NCc1ccccc1 34a_100015324214_100000766640 [0,1,0,1,0,0|2,0,0]=4 1573 B13R1.42 CCCC(C)NCc1ccccn1 207a_100000741246_100000209966 [0,1,0,1,0,0|2,0,0]=4 1574 B13R1.42 CCCC(C)NCc1ccccn1 2230a_100000741246_100000721315 [0,1,0,1,0,0|2,0,0]=4 1575 B13R1.42 CCCC(C)NCc1ccccn1 270004a_100000210449_100000211909 [0,1,0,1,0,0|2,0,0]=4 1576 B13R1.42 CCCC(C)NCc1ccccn1 270004a_100000741246_100000209966 [0,1,0,1,0,0|2,0,0]=4 1577 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000210790_100000766640 [0,1,0,1,0,0|2,0,0]=4 1578 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000764384_100015291786 [0,1,0,1,0,0|2,0,0]=4 1579 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000210790_100000766640 [0,1,0,1,0,0|2,0,0]=4 1580 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000764384_100000211182 [0,1,0,1,0,0|2,0,0]=4 1581 B13R1.42 CCCC(C)OCc1ccccn1 34a_100000764384_100000721315 [0,1,0,1,0,0|2,0,0]=4 1582 B13R1.42 CCCC(C)OCc1ccccn1 7a_100000764384_100000721315 [0,1,0,1,0,0|2,0,0]=4 1583 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000211182_100000766640 [0,1,0,1,0,0|2,0,0]=4 1584 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000766640_100015291786 [0,1,0,1,0,0|2,0,0]=4 1585 B13R1.42 CCCC(C)SCc1ccccn1 62a_100000721315_100000766640 [0,1,0,1,0,0|2,0,0]=4 1586 B13R1.42 CCCC(C)SCc1ccccn1 62a_100000766640_100000721315 [0,1,0,1,0,0|2,0,0]=4 1587 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000207497_100000210303 [0,1,0,1,0,0|2,0,0]=4 1588 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000747261_100000765856 [0,1,0,1,0,0|2,0,0]=4 1589 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000207497_100000210303 [0,1,0,1,0,0|2,0,0]=4 1590 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000747261_100000765856 [0,1,0,1,0,0|2,0,0]=4 1591 B13R1.42 CCCN(C)CCc1ccccn1 2230a_100000176852_200000210301 [0,1,0,1,0,0|2,0,0]=4 1592 B13R1.42 CCCN(C)CCc1ccccn1 2230a_100000737206_100000210303 [0,1,0,1,0,0|2,0,0]=4 1593 B13R1.42 CCCN(C)CCc1ccccn1 2230a_100000747261_100015183660 [0,1,0,1,0,0|2,0,0]=4 1594 B13R1.42 CCCN(C)CCc1ccccn1 269982a_100000176852_200000210301 [0,1,0,1,0,0|2,0,0]=4 1595 B13R1.42 CCCN(C)CCc1ccccn1 269982a_100000737206_100000210303 [0,1,0,1,0,0|2,0,0]=4 1596 B13R1.42 CCCN(C)CCc1ccccn1 269982a_100000747261_100015183660 [0,1,0,1,0,0|2,0,0]=4 1597 B13R1.42 CCCN([13CH3])CCc1ccccn1 2230a_100000176852_200025704644 [0,1,0,1,0,0|2,0,0]=4 1598 B13R1.42 CCCN([13CH3])CCc1ccccn1 269982a_100000176852_200025704644 [0,1,0,1,0,0|2,0,0]=4 1599 B13R1.42 CCNC(C)CCc1ccccc1 2230a_100000210798_100000210202 [0,1,0,1,0,0|2,0,0]=4 1600 B13R1.42 CCNC(C)CCc1ccccc1 270004a_100015525214_100000210092 [0,1,0,1,0,0|2,0,0]=4 1601 B13R1.42 CCNC(C)CCc1ccccc1 34a_100000210798_100000210202 [0,1,0,1,0,0|2,0,0]=4 1602 B13R1.42 CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210202 [0,1,0,1,0,0|2,0,0]=4 1603 B13R1.42 CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210202 [0,1,0,1,0,0|2,0,0]=4 1604 B13R1.119 C/C=C/C=C/COCC1CCCC1 34a_100016283227_100000740388 [0,1,0,1,0,0|1,0,1]=4 1605 B13R1.119 CC=CC=CC=NNC1CCCC1 4a_100000737850_100000691131 [0,1,0,1,0,0|2,0,0]=4 1606 B13R1.119 CCCCCCC=Cc1c[nH]cn1 271570a_200015348155_100000756875 [0,1,0,1,0,0|1,0,0]=3 1607 B13R1.119 CCCCCCC=Cc1cc[nH]n1 271570a_200015348155_100000062575 [0,1,0,1,0,0|1,0,0]=3 1608 B13R1.119 CCCCCCC=Cc1ccco1 271570a_200015348155_100009814098 [0,1,0,1,0,0|0,0,1]=3 1609 B13R1.119 CCCCCCC=Cc1cccs1 271570a_200015348155_100011215356 [0,1,0,1,0,0|0,1,0]=3 1610 B13R1.119 CCCCCCC=Cc1ccoc1 271570a_200015348155_100011215275 [0,1,0,1,0,0|0,0,1]=3 1611 B13R1.119 CCCCCCC=Cc1ccsc1 271570a_200015348155_100000738268 [0,1,0,1,0,0|0,1,0]=3 1612 B13R1.119 CCCCCCC=Cc1ccsn1 271570a_200015348155_100009818082 [0,1,0,1,0,0|0,1,0]=3 1613 B13R1.119 CCCCCCC=Cc1cn[nH]c1 271570a_200015348155_100000238712 [0,1,0,1,0,0|2,0,0]=4 1614 B13R1.119 CCCCCCC=Cc1cnco1 271570a_200015348155_100020591547 [0,1,0,1,0,0|0,0,1]=3 1615 B13R1.119 CCCCCCC=Cc1cncs1 271570a_200015348155_100011934649 [0,1,0,1,0,0|0,1,0]=3 1616 B13R1.119 CCCCCCC=Cc1cnoc1 271570a_200015348155_100009815712 [0,1,0,1,0,0|1,0,1]=4 1617 B13R1.119 CCCCCCC=Cc1cnsc1 271570a_200015348155_100009815736 [0,1,0,1,0,0|1,1,0]=4 1618 B13R1.119 CCCCCCC=Cc1cscn1 271570a_200015348155_100000751502 [0,1,0,1,0,0|1,0,0]=3 1619 B13R1.119 CCCCCCC=Cc1nc[nH]n1 271570a_200015348155_100000761765 [0,1,0,1,0,0|2,0,0]=4 1620 B13R1.119 CCCCCCC=Cc1ncc[nH]1 271570a_200015348155_100025796157 [0,1,0,1,0,0|1,0,0]=3 1621 B13R1.119 CCCCCCC=Cc1ncco1 271570a_200015348155_100011787736 [0,1,0,1,0,0|0,0,1]=3 1622 B13R1.119 CCCCCCC=Cc1nccs1 271570a_200015348155_100000211983 [0,1,0,1,0,0|0,1,0]=3 1623 B13R1.119 CCCCCCC=Cc1ncns1 271570a_200015348155_100000693119 [0,1,0,1,0,0|1,1,0]=4 1624 B13R1.119 CCCCCCC=Cc1nncs1 271570a_200015348155_100000739804 [0,1,0,1,0,0|1,1,0]=4 1625 B13R1.119 CCCCCCCSc1ccco1 62a_100000210614_100009814098 [0,1,0,1,0,0|0,0,2]=4 1626 B13R1.119 CCCCCCCSc1ccco1 62a_100009814098_100000210316 [0,1,0,1,0,0|0,0,2]=4 1627 B13R1.119 CCCCCCCSc1cccs1 62a_100000210614_100011215356 [0,1,0,1,0,0|0,1,1]=4 1628 B13R1.119 CCCCCCCSc1cccs1 62a_100011215356_100000210316 [0,1,0,1,0,0|0,1,1]=4 1629 B13R1.119 CCCCCCNCc1ccco1 207a_100000210581_100000186105 [0,1,0,1,0,0|0,0,2]=4 1630 B13R1.119 CCCCCCNCc1ccco1 2230a_100000185738_100000210314 [0,1,0,1,0,0|0,0,2]=4 1631 B13R1.119 CCCCCCNCc1ccco1 270004a_100000210581_100000186105 [0,1,0,1,0,0|0,0,2]=4 1632 B13R1.119 CCCCCCNCc1ccco1 34a_100000185738_100000210314 [0,1,0,1,0,0|0,0,2]=4 1633 B13R1.119 CCCCCCNCc1cccs1 207a_100000210581_100000209959 [0,1,0,1,0,0|0,1,1]=4 1634 B13R1.119 CCCCCCNCc1cccs1 2230a_100000211653_100000210314 [0,1,0,1,0,0|0,1,1]=4 1635 B13R1.119 CCCCCCNCc1cccs1 270004a_100000210581_100000209959 [0,1,0,1,0,0|0,1,1]=4 1636 B13R1.119 CCCCCCOCc1ccco1 34a_100000210059_100000210314 [0,1,0,1,0,0|0,0,2]=4 1637 B13R1.119 CCCCCCOCc1cccs1 34a_100000211240_100000210314 [0,1,0,1,0,0|0,1,1]=4 1638 B13R1.119 CCCCCNCCc1ccco1 2230a_100000694680_100000210326 [0,1,0,1,0,0|0,0,2]=4 1639 B13R1.119 CCCCCNCCc1ccco1 34a_100000694680_100000718602 [0,1,0,1,0,0|0,0,2]=4 1640 B13R1.119 CCCCCNCCc1cccs1 2230a_100000203755_100000210326 [0,1,0,1,0,0|0,1,1]=4 1641 B13R1.119 CCCCCNCCc1cccs1 2230a_100000209983_100000748579 [0,1,0,1,0,0|0,1,1]=4 1642 B13R1.119 CCCCCNCCc1cccs1 34a_100000203755_100000718602 [0,1,0,1,0,0|0,1,1]=4 1643 B13R1.119 CCCCCNN=Cc1ccc[nH]1 4a_100000694160_100000211237 [0,1,0,1,0,0|2,0,0]=4 1644 B13R1.119 CCCCCNN=Cc1ccco1 4a_100000694160_100000186105 [0,1,0,1,0,0|1,0,1]=4 1645 B13R1.119 CCCCCNN=Cc1cccs1 4a_100000694160_100000209959 [0,1,0,1,0,0|1,1,0]=4 1646 B13R1.119 CCCCCOCCc1cccs1 34a_100000210253_100000748579 [0,1,0,1,0,0|0,1,1]=4 1647 B13R1.119 CCCCCOCCc1cccs1 34a_100011216825_100000718602 [0,1,0,1,0,0|0,1,1]=4 1648 B13R1.119 CCCCCOCCc1cccs1 7a_100000210253_100000748579 [0,1,0,1,0,0|0,1,1]=4 1649 B13R1.119 CCCCCOCCc1cccs1 7a_100011216825_100000210326 [0,1,0,1,0,0|0,1,1]=4 1650 B13R1.119 CCCCCSCCc1cccs1 62a_100000210326_100000748579 [0,1,0,1,0,0|0,1,1]=4 1651 B13R1.119 CCCCCSCCc1cccs1 62a_100000748579_100000210326 [0,1,0,1,0,0|0,1,1]=4 1652 B13R1.119 CCCCNCC=Cc1ccco1 270004a_100000102301_100000185671 [0,1,0,1,0,0|0,0,2]=4 1653 B13R1.119 CCCCNCCCc1cccs1 2230a_100000102301_100010992444 [0,1,0,1,0,0|0,1,1]=4 1654 B13R1.119 CCCCNCCCc1cccs1 7a_106832991798_100010992444 [0,1,0,1,0,0|0,1,1]=4 1655 B13R1.119 CCCCOCCCc1cccs1 34a_100000210227_100010992444 [0,1,0,1,0,0|0,1,1]=4 1656 B13R1.119 CCCCOCCCc1cccs1 34a_100011713143_100000210210 [0,1,0,1,0,0|0,1,1]=4 1657 B13R1.119 CCCCOCCCc1cccs1 7a_100000210227_100010992444 [0,1,0,1,0,0|0,1,1]=4 1658 B13R1.119 CCCCOCCCc1cccs1 7a_100011713143_100000210211 [0,1,0,1,0,0|0,1,1]=4 1659 B13R1.119 CCCCOCCSc1ccco1 62a_100000743108_100009814098 [0,1,0,1,0,0|1,0,1]=4 1660 B13R1.119 CCCCOCCSc1ccco1 62a_100009814098_100000743108 [0,1,0,1,0,0|1,0,1]=4 1661 B13R1.119 CCCCOCCSc1cccs1 62a_100000743108_100011215356 [0,1,0,1,0,0|1,1,0]=4 1662 B13R1.119 CCCCOCCSc1cccs1 62a_100011215356_100000743108 [0,1,0,1,0,0|1,1,0]=4 1663 B13R1.119 CCCCSCCCc1cccs1 62a_100000210211_100010992444 [0,1,0,1,0,0|0,1,1]=4 1664 B13R1.119 CCCCSCCCc1cccs1 62a_100010992444_100000210210 [0,1,0,1,0,0|0,1,1]=4 1665 B13R1.119 FCCCCCCSc1ccco1 62a_100009814098_100015922095 [0,1,0,1,0,0|1,0,1]=4 1666 B13R1.119 FCCCCCCSc1ccco1 62a_100015922095_100009814098 [0,1,0,1,0,0|1,0,1]=4 1667 B13R1.119 FCCCCCCSc1cccs1 62a_100011215356_100015922095 [0,1,0,1,0,0|1,1,0]=4 1668 B13R1.119 FCCCCCCSc1cccs1 62a_100015922095_100011215356 [0,1,0,1,0,0|1,1,0]=4 1669 B13R1.119 OCCCCCCSc1ccco1 62a_100000766143_100009814098 [0,1,0,1,0,0|1,0,1]=4 1670 B13R1.119 OCCCCCCSc1ccco1 62a_100009814098_100000766143 [0,1,0,1,0,0|1,0,1]=4 1671 B13R1.119 OCCCCCCSc1cccs1 62a_100000766143_100011215356 [0,1,0,1,0,0|1,1,0]=4 1672 B13R1.119 OCCCCCCSc1cccs1 62a_100011215356_100000766143 [0,1,0,1,0,0|1,1,0]=4 1673 B13R1.190 CCCCCCc1cc(sc1Br)O 271570a_203496583355_100010194286 [0,1,0,1,0,0|2,0,0]=4 1674 B13R1.470 CCCC(=O)Cn1ccccc1=O 1458a_100000189665_100000210303 [0,1,0,1,0,0|1,0,1]=4 1675 B13R1.654 CCCCCC=Cc1ccsc1C 271570a_100000062253_100000684487 [0,1,0,1,0,0|1,0,1]=4 1676 B13R1.654 CCCCCC=Cc1cscc1C 271570a_100000062253_100000759966 [0,1,0,1,0,0|1,0,1]=4 1677 B13R1.654 CCCCCC=Cc1sccc1C 271570a_100000062253_100000742657 [0,1,0,1,0,0|0,1,1]=4 1678 B13R1.654 CCCCCCSc1ccsc1C 62a_100000210314_100000684487 [0,1,0,1,0,0|2,0,0]=4 1679 B13R1.654 CCCCCCSc1ccsc1C 62a_100000684487_100000210757 [0,1,0,1,0,0|2,0,0]=4 1680 B13R1.654 CCCCCCSc1cscc1C 62a_100000210314_100000759966 [0,1,0,1,0,0|2,0,0]=4 1681 B13R1.654 CCCCCCSc1cscc1C 62a_100000759966_100000210757 [0,1,0,1,0,0|2,0,0]=4 1682 B13R1.654 CCCCCCSc1sccc1C 62a_100000210314_100010247149 [0,1,0,1,0,0|1,1,0]=4 1683 B13R1.654 CCCCCCSc1sccc1C 62a_100010247149_100000210757 [0,1,0,1,0,0|1,1,0]=4 1684 B13R1.654 CCCCCNCc1cccn1C 270004a_100000209983_100000211633 [0,1,0,1,0,0|2,0,0]=4 1685 B13R1.654 CCCCCNCc1cccn1C 34a_100011219357_100000718602 [0,1,0,1,0,0|2,0,0]=4 1686 B13R1.654 CCCCCNCc1ccsc1Br 207a_100000209983_100009816921 [0,1,0,1,0,0|2,0,0]=4 1687 B13R1.654 CCCCCNCc1ccsc1Br 2230a_100000209983_100009814289 [0,1,0,1,0,0|2,0,0]=4 1688 B13R1.654 CCCCCNCc1ccsc1Br 2230a_100000727803_100000210326 [0,1,0,1,0,0|2,0,0]=4 1689 B13R1.654 CCCCCNCc1ccsc1Br 270004a_100000209983_100009816921 [0,1,0,1,0,0|2,0,0]=4 1690 B13R1.654 CCCCCNCc1ccsc1Br 34a_100000727803_100000718602 [0,1,0,1,0,0|2,0,0]=4 1691 B13R1.654 CCCCCNCc1ccsc1Cl 207a_100000209983_100000089901 [0,1,0,1,0,0|2,0,0]=4 1692 B13R1.654 CCCCCNCc1ccsc1Cl 2230a_100000209983_100010167017 [0,1,0,1,0,0|2,0,0]=4 1693 B13R1.654 CCCCCNCc1ccsc1Cl 270004a_100000209983_100000089901 [0,1,0,1,0,0|2,0,0]=4 1694 B13R1.654 CCCCCNCc1cscc1Br 207a_100000209983_100000685484 [0,1,0,1,0,0|2,0,0]=4 1695 B13R1.654 CCCCCNCc1cscc1Br 270004a_100000209983_100000685484 [0,1,0,1,0,0|2,0,0]=4 1696 B13R1.654 CCCCCNCc1occc1Br 270004a_100000209983_100000756499 [0,1,0,1,0,0|2,0,0]=4 1697 B13R1.654 CCCCCNCc1occc1C 207a_100000209983_100000763527 [0,1,0,1,0,0|2,0,0]=4 1698 B13R1.654 CCCCCNCc1occc1C 270004a_100000209983_100000763527 [0,1,0,1,0,0|2,0,0]=4 1699 B13R1.654 CCCCCNCc1sccc1Br 207a_100000209983_100000766043 [0,1,0,1,0,0|2,0,0]=4 1700 B13R1.654 CCCCCNCc1sccc1Br 270004a_100000209983_100000766043 [0,1,0,1,0,0|2,0,0]=4 1701 B13R1.654 CCCCCNCc1sccc1C 207a_100000209983_100000210881 [0,1,0,1,0,0|2,0,0]=4 1702 B13R1.654 CCCCCNCc1sccc1C 2230a_100000238519_100000210326 [0,1,0,1,0,0|2,0,0]=4 1703 B13R1.654 CCCCCNCc1sccc1C 270004a_100000209983_100000210881 [0,1,0,1,0,0|2,0,0]=4 1704 B13R1.654 CCCCCNCc1sccc1C 34a_100000238519_100000718602 [0,1,0,1,0,0|2,0,0]=4 1705 B13R1.654 CCCCCNCc1sccc1Cl 207a_100000209983_100000722334 [0,1,0,1,0,0|2,0,0]=4 1706 B13R1.654 CCCCCNCc1sccc1Cl 2230a_100011934584_100000210326 [0,1,0,1,0,0|2,0,0]=4 1707 B13R1.654 CCCCCNCc1sccc1Cl 270004a_100000209983_100000722334 [0,1,0,1,0,0|2,0,0]=4 1708 B13R1.654 CCCCCNCc1sccc1Cl 34a_100011934584_100000718602 [0,1,0,1,0,0|2,0,0]=4 1709 B13R1.654 CCCCCOCC1=CCCC1=O 34a_100000087531_100000718602 [0,1,0,1,0,0|0,0,2]=4 1710 B13R1.654 CCCCCOCc1ccoc1C 34a_100011219433_100000718602 [0,1,0,1,0,0|2,0,0]=4 1711 B13R1.654 CCCCCOCc1ccoc1C 7a_100011219433_100000210326 [0,1,0,1,0,0|2,0,0]=4 1712 B13R1.654 CCCCCOCc1ccsc1Br 34a_100000210253_100009814289 [0,1,0,1,0,0|2,0,0]=4 1713 B13R1.654 CCCCCOCc1ccsc1Br 34a_100009816922_100000718602 [0,1,0,1,0,0|2,0,0]=4 1714 B13R1.654 CCCCCOCc1ccsc1Br 7a_100000210253_100009814289 [0,1,0,1,0,0|2,0,0]=4 1715 B13R1.654 CCCCCOCc1ccsc1Br 7a_100009816922_100000210326 [0,1,0,1,0,0|2,0,0]=4 1716 B13R1.654 CCCCCOCc1ccsc1Cl 34a_100000210253_100010167017 [0,1,0,1,0,0|2,0,0]=4 1717 B13R1.654 CCCCCOCc1ccsc1Cl 7a_100000210253_100010167017 [0,1,0,1,0,0|2,0,0]=4 1718 B13R1.654 CCCCCOCc1cscc1Br 34a_100000724555_100000718602 [0,1,0,1,0,0|2,0,0]=4 1719 B13R1.654 CCCCCOCc1occc1C 34a_100011273948_100000718602 [0,1,0,1,0,0|2,0,0]=4 1720 B13R1.654 CCCCCOCc1occc1C 7a_100011273948_100000210326 [0,1,0,1,0,0|2,0,0]=4 1721 B13R1.654 CCCCCOCc1sccc1Br 34a_100000702026_100000718602 [0,1,0,1,0,0|2,0,0]=4 1722 B13R1.654 CCCCCOCc1sccc1C 34a_100000238368_100000718602 [0,1,0,1,0,0|2,0,0]=4 1723 B13R1.654 CCCCCOCc1sccc1C 7a_100000238368_100000210326 [0,1,0,1,0,0|2,0,0]=4 1724 B13R1.654 CCCCCOCc1sccc1Cl 34a_100000722387_100000718602 [0,1,0,1,0,0|2,0,0]=4 1725 B13R1.654 CCCCCOCc1sccc1Cl 7a_100000722387_100000210326 [0,1,0,1,0,0|2,0,0]=4 1726 B13R1.654 CCCCCSCc1ccsc1Br 62a_100000210326_100009814289 [0,1,0,1,0,0|2,0,0]=4 1727 B13R1.654 CCCCCSCc1ccsc1Br 62a_100009814289_100000210326 [0,1,0,1,0,0|2,0,0]=4 1728 B13R1.654 CCCCCSCc1ccsc1Cl 62a_100000210326_100010167017 [0,1,0,1,0,0|2,0,0]=4 1729 B13R1.654 CCCCCSCc1ccsc1Cl 62a_100010167017_100000210326 [0,1,0,1,0,0|2,0,0]=4 1730 B13R1.654 CCCCNCCc1cccn1C 2230a_100011251756_100000210211 [0,1,0,1,0,0|2,0,0]=4 1731 B13R1.654 CCCCNCCc1cccn1C 34a_100011251756_100000210210 [0,1,0,1,0,0|2,0,0]=4 1732 B13R1.1575 C=CCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210623 [0,1,0,1,0,0|1,0,1]=4 1733 B13R1.3516 CCCCc1cccc(c1C=O)C 271570a_100020621405_100000041122 [0,1,0,1,0,0|0,0,2]=4 1734 B13R1.3516 CCCCc1cccc(c1C=O)Cl 271570a_100020621405_100010147682 [0,1,0,1,0,0|0,0,2]=4 1735 B13R1.3516 CCCCc1cccc(c1C=O)F 271570a_100020621405_100000210083 [0,1,0,1,0,0|0,0,2]=4 1736 B13R1.3516 CCCCc1cccc(c1C=O)N 271570a_100020621405_100010232536 [0,1,0,1,0,0|0,0,2]=4 1737 B13R1.3516 CCCCc1cccc(c1C=O)O 271570a_100020621405_100009814793 [0,1,0,1,0,0|0,0,2]=4 1738 B13R1.3516 CCCCc1nccc(c1C=O)O 271570a_100020621405_200010729673 [0,1,0,1,0,0|1,0,1]=4 1739 B13R1.28 BrCCCCOCc1ccccc1 34a_100011216708_100015291786 [0,1,0,1,0,0|2,0,0]=4 1740 B13R1.28 BrCCCCOCc1ccccn1 34a_100011216708_100000721315 [0,1,0,1,0,0|2,0,0]=4 1741 B13R1.28 BrCCCOCCc1ccccc1 34a_100011217188_100000765856 [0,1,0,1,0,0|2,0,0]=4 1742 B13R1.28 BrCCOCCCc1ccccc1 34a_100000211926_100000211621 [0,1,0,1,0,0|2,0,0]=4 1743 B13R1.28 C/C=C/C=C/COC1CCCCC1 34a_100016283227_100000210327 [0,1,0,1,0,0|1,0,1]=4 1744 B13R1.28 CCCCCC=Cc1ccccc1 271570a_100000062253_100000210277 [0,1,0,1,0,0|1,0,1]=4 1745 B13R1.28 CCCCCC=Cc1ccccn1 271570a_100000062253_100011216584 [0,1,0,1,0,0|1,0,1]=4 1746 B13R1.28 CCCCCC=Cc1cccnc1 271570a_100000062253_100000752921 [0,1,0,1,0,0|1,0,1]=4 1747 B13R1.28 CCCCCC=Cc1cccnn1 271570a_100000062253_100016991348 [0,1,0,1,0,0|1,0,1]=4 1748 B13R1.28 CCCCCC=Cc1ccncc1 271570a_100000062253_100000035832 [0,1,0,1,0,0|1,0,1]=4 1749 B13R1.28 CCCCCC=Cc1ccncn1 271570a_100000062253_100000703185 [0,1,0,1,0,0|1,0,1]=4 1750 B13R1.28 CCCCCC=Cc1cnccn1 271570a_100000062253_100000758340 [0,1,0,1,0,0|1,0,1]=4 1751 B13R1.28 CCCCCC=Cc1ncccn1 271570a_100000062253_100000211032 [0,1,0,1,0,0|1,0,1]=4 1752 B13R1.28 CCCCCCNc1ccccc1 34a_100000106764_100000210314 [0,1,0,1,0,0|1,0,0]=3 1753 B13R1.28 CCCCCCNc1cccnn1 27a_100000210581_100016991348 [0,1,0,1,0,0|2,0,0]=4 1754 B13R1.28 CCCCCCNc1ccncn1 27a_100000210581_100000703185 [0,1,0,1,0,0|2,0,0]=4 1755 B13R1.28 CCCCCCNc1cnccn1 27a_100000210581_100000211759 [0,1,0,1,0,0|2,0,0]=4 1756 B13R1.28 CCCCCCNc1ncccn1 27a_100000210581_100000211032 [0,1,0,1,0,0|2,0,0]=4 1757 B13R1.28 CCCCCCOc1ccccc1 34a_100000210340_100000210314 [0,1,0,1,0,0|1,0,0]=3 1758 B13R1.28 CCCCCCOc1ccccc1 7a_100000210340_100000210314 [0,1,0,1,0,0|1,0,0]=3 1759 B13R1.28 CCCCCCOc1cccnc1 34a_100000210849_100000210314 [0,1,0,1,0,0|2,0,0]=4 1760 B13R1.28 CCCCCCOc1cccnc1 7a_100000210849_100000210314 [0,1,0,1,0,0|2,0,0]=4 1761 B13R1.28 CCCCCCOc1ccncc1 34a_100000212176_100000210314 [0,1,0,1,0,0|2,0,0]=4 1762 B13R1.28 CCCCCCSc1ccccc1 62a_100000210314_100000041952 [0,1,0,1,0,0|1,0,0]=3 1763 B13R1.28 CCCCCCSc1ccccc1 62a_100000719477_100000210757 [0,1,0,1,0,0|1,0,0]=3 1764 B13R1.28 CCCCCCSc1ccccn1 62a_100000210314_100011216584 [0,1,0,1,0,0|1,0,0]=3 1765 B13R1.28 CCCCCCSc1ccccn1 62a_100011216584_100000210757 [0,1,0,1,0,0|1,0,0]=3 1766 B13R1.28 CCCCCCSc1cccnc1 62a_100000210063_100000210757 [0,1,0,1,0,0|2,0,0]=4 1767 B13R1.28 CCCCCCSc1cccnc1 62a_100000210314_100000210063 [0,1,0,1,0,0|2,0,0]=4 1768 B13R1.28 CCCCCCSc1cccnn1 62a_100000210314_100016991348 [0,1,0,1,0,0|2,0,0]=4 1769 B13R1.28 CCCCCCSc1cccnn1 62a_100016991348_100000210757 [0,1,0,1,0,0|2,0,0]=4 1770 B13R1.28 CCCCCCSc1ccncc1 62a_100000210314_100000728582 [0,1,0,1,0,0|2,0,0]=4 1771 B13R1.28 CCCCCCSc1ccncc1 62a_100000728582_100000210757 [0,1,0,1,0,0|2,0,0]=4 1772 B13R1.28 CCCCCCSc1ccncn1 62a_100000210314_100000703185 [0,1,0,1,0,0|2,0,0]=4 1773 B13R1.28 CCCCCCSc1ccncn1 62a_100000703185_100000210757 [0,1,0,1,0,0|2,0,0]=4 1774 B13R1.28 CCCCCCSc1cnccn1 62a_100000210314_100000211759 [0,1,0,1,0,0|2,0,0]=4 1775 B13R1.28 CCCCCCSc1cnccn1 62a_100000211759_100000210757 [0,1,0,1,0,0|2,0,0]=4 1776 B13R1.28 CCCCCCSc1ncccn1 62a_100000210314_100000211032 [0,1,0,1,0,0|2,0,0]=4 1777 B13R1.28 CCCCCCSc1ncccn1 62a_100000211032_100000210757 [0,1,0,1,0,0|2,0,0]=4 1778 B13R1.28 CCCCCNCc1ccccc1 207a_100000209983_100015611070 [0,1,0,1,0,0|1,0,0]=3 1779 B13R1.28 CCCCCNCc1ccccc1 2230a_100000209983_100015291786 [0,1,0,1,0,0|1,0,0]=3 1780 B13R1.28 CCCCCNCc1ccccc1 2230a_100015324214_100000210326 [0,1,0,1,0,0|1,0,0]=3 1781 B13R1.28 CCCCCNCc1ccccc1 270004a_100000209983_100015611070 [0,1,0,1,0,0|1,0,0]=3 1782 B13R1.28 CCCCCNCc1ccccc1 34a_100015324214_100000718602 [0,1,0,1,0,0|1,0,0]=3 1783 B13R1.28 CCCCCNCc1ccccn1 207a_100000209983_100000209966 [0,1,0,1,0,0|1,0,0]=3 1784 B13R1.28 CCCCCNCc1ccccn1 2230a_100000209983_100000721315 [0,1,0,1,0,0|1,0,0]=3 1785 B13R1.28 CCCCCNCc1ccccn1 270004a_100000209983_100000209966 [0,1,0,1,0,0|1,0,0]=3 1786 B13R1.28 CCCCCNCc1cccnc1 207a_100000209983_100000209961 [0,1,0,1,0,0|2,0,0]=4 1787 B13R1.28 CCCCCNCc1cccnc1 2230a_100000209983_100000741622 [0,1,0,1,0,0|2,0,0]=4 1788 B13R1.28 CCCCCNCc1cccnc1 270004a_100000209983_100000209961 [0,1,0,1,0,0|2,0,0]=4 1789 B13R1.28 CCCCCNCc1cccnn1 2230a_100000209983_100016990269 [0,1,0,1,0,0|2,0,0]=4 1790 B13R1.28 CCCCCNCc1cccnn1 2230a_100159270163_100000210326 [0,1,0,1,0,0|2,0,0]=4 1791 B13R1.28 CCCCCNCc1ccncc1 207a_100000209983_100000186114 [0,1,0,1,0,0|2,0,0]=4 1792 B13R1.28 CCCCCNCc1ccncc1 2230a_100000209983_100015193705 [0,1,0,1,0,0|2,0,0]=4 1793 B13R1.28 CCCCCNCc1cnccn1 2230a_100000209983_100016995436 [0,1,0,1,0,0|2,0,0]=4 1794 B13R1.28 CCCCCNCc1cnccn1 270004a_100000209983_100000749867 [0,1,0,1,0,0|2,0,0]=4 1795 B13R1.28 CCCCCNCc1ncccn1 2230a_100000209983_100000703007 [0,1,0,1,0,0|2,0,0]=4 1796 B13R1.28 CCCCCNCc1ncccn1 270004a_100000209983_100011532527 [0,1,0,1,0,0|2,0,0]=4 1797 B13R1.28 CCCCCOCc1ccccc1 34a_100000210253_100015291786 [0,1,0,1,0,0|1,0,0]=3 1798 B13R1.28 CCCCCOCc1ccccc1 34a_100000210790_100000718602 [0,1,0,1,0,0|1,0,0]=3 1799 B13R1.28 CCCCCOCc1ccccc1 7a_100000210253_100000211182 [0,1,0,1,0,0|1,0,0]=3 1800 B13R1.28 CCCCCOCc1ccccc1 7a_100000210790_100000210326 [0,1,0,1,0,0|1,0,0]=3 1801 B13R1.28 CCCCCOCc1ccccn1 34a_100000210253_100000721315 [0,1,0,1,0,0|1,0,0]=3 1802 B13R1.28 CCCCCOCc1ccccn1 7a_100000210253_100000721315 [0,1,0,1,0,0|1,0,0]=3 1803 B13R1.28 CCCCCOCc1cccnc1 34a_100000210253_100000733263 [0,1,0,1,0,0|2,0,0]=4 1804 B13R1.28 CCCCCOCc1cccnc1 7a_100000210253_100000741622 [0,1,0,1,0,0|2,0,0]=4 1805 B13R1.28 CCCCCOCc1cccnn1 34a_100000210253_100016990269 [0,1,0,1,0,0|2,0,0]=4 1806 B13R1.28 CCCCCOCc1cccnn1 7a_100000210253_100016990269 [0,1,0,1,0,0|2,0,0]=4 1807 B13R1.28 CCCCCOCc1ccncc1 7a_100000210253_100015193705 [0,1,0,1,0,0|2,0,0]=4 1808 B13R1.28 CCCCCOCc1cnccn1 34a_100000210253_100016995436 [0,1,0,1,0,0|2,0,0]=4 1809 B13R1.28 CCCCCOCc1cnccn1 7a_100000210253_100016995436 [0,1,0,1,0,0|2,0,0]=4 1810 B13R1.28 CCCCCOCc1ncccn1 34a_100000210253_100000703007 [0,1,0,1,0,0|2,0,0]=4 1811 B13R1.28 CCCCCOCc1ncccn1 7a_100000210253_100000703007 [0,1,0,1,0,0|2,0,0]=4 1812 B13R1.28 CCCCCSCc1ccccc1 62a_100000210326_100015291786 [0,1,0,1,0,0|1,0,0]=3 1813 B13R1.28 CCCCCSCc1ccccc1 62a_100000211182_100000210326 [0,1,0,1,0,0|1,0,0]=3 1814 B13R1.28 CCCCCSCc1ccccn1 62a_100000210326_100000721315 [0,1,0,1,0,0|1,0,0]=3 1815 B13R1.28 CCCCCSCc1ccccn1 62a_100000721315_100000210326 [0,1,0,1,0,0|1,0,0]=3 1816 B13R1.28 CCCCCSCc1cccnc1 62a_100000210326_100000741622 [0,1,0,1,0,0|2,0,0]=4 1817 B13R1.28 CCCCCSCc1cccnc1 62a_100000741622_100000210326 [0,1,0,1,0,0|2,0,0]=4 1818 B13R1.28 CCCCCSCc1cccnn1 62a_100000210326_100016990269 [0,1,0,1,0,0|2,0,0]=4 1819 B13R1.28 CCCCCSCc1cccnn1 62a_100016990269_100000210326 [0,1,0,1,0,0|2,0,0]=4 1820 B13R1.28 CCCCCSCc1ccncc1 62a_100000210326_100015193705 [0,1,0,1,0,0|2,0,0]=4 1821 B13R1.28 CCCCCSCc1ccncc1 62a_100015193705_100000210326 [0,1,0,1,0,0|2,0,0]=4 1822 B13R1.28 CCCCCSCc1cnccn1 62a_100000210326_100016995436 [0,1,0,1,0,0|2,0,0]=4 1823 B13R1.28 CCCCCSCc1cnccn1 62a_100016995436_100000210326 [0,1,0,1,0,0|2,0,0]=4 1824 B13R1.28 CCCCCSCc1ncccn1 62a_100000210326_100000703007 [0,1,0,1,0,0|2,0,0]=4 1825 B13R1.28 CCCCCSCc1ncccn1 62a_100000703007_100000210326 [0,1,0,1,0,0|2,0,0]=4 1826 B13R1.28 CCCCNCCc1ccccc1 2230a_100000102301_100000765856 [0,1,0,1,0,0|1,0,0]=3 1827 B13R1.28 CCCCNCCc1ccccc1 2230a_100000106460_100000210211 [0,1,0,1,0,0|1,0,0]=3 1828 B13R1.28 CCCCNCCc1ccccc1 34a_100000106460_100000210210 [0,1,0,1,0,0|1,0,0]=3 1829 B13R1.28 CCCCNCCc1ccccc1 7a_106832991798_100000765856 [0,1,0,1,0,0|1,0,0]=3 1830 B13R1.28 CCCCNCCc1ccccn1 2230a_100000102301_100015183660 [0,1,0,1,0,0|1,0,0]=3 1831 B13R1.28 CCCCNCCc1ccccn1 7a_106832991798_100015183660 [0,1,0,1,0,0|1,0,0]=3 1832 B13R1.28 CCCCNCCc1cccnc1 2230a_100000102301_200011713674 [0,1,0,1,0,0|2,0,0]=4 1833 B13R1.28 CCCCNCCc1cccnc1 2230a_100000736294_100000210211 [0,1,0,1,0,0|2,0,0]=4 1834 B13R1.28 CCCCNCCc1cccnc1 7a_106832991798_200011713674 [0,1,0,1,0,0|2,0,0]=4 1835 B13R1.28 CCCCNCCc1ccncc1 2230a_100000102301_100000723409 [0,1,0,1,0,0|2,0,0]=4 1836 B13R1.28 CCCCNCCc1ccncc1 7a_106832991798_100000723409 [0,1,0,1,0,0|2,0,0]=4 1837 B13R1.28 CCCCNCSc1ccccc1 2230a_100000102301_100011218342 [0,1,0,1,0,0|2,0,0]=4 1838 B13R1.28 CCCCOCCc1ccccc1 34a_100000210227_100000765856 [0,1,0,1,0,0|1,0,0]=3 1839 B13R1.28 CCCCOCCc1ccccc1 34a_100000210268_100000210210 [0,1,0,1,0,0|1,0,0]=3 1840 B13R1.28 CCCCOCCc1ccccc1 7a_100000210227_100000765856 [0,1,0,1,0,0|1,0,0]=3 1841 B13R1.28 CCCCOCCc1ccccc1 7a_100000210268_100000210211 [0,1,0,1,0,0|1,0,0]=3 1842 B13R1.28 CCCCOCCc1ccccn1 34a_100000210271_100000210210 [0,1,0,1,0,0|1,0,0]=3 1843 B13R1.28 CCCCOCCc1ccccn1 7a_100000210227_100015183660 [0,1,0,1,0,0|1,0,0]=3 1844 B13R1.28 CCCCOCCc1cccnc1 34a_100011217484_100000210210 [0,1,0,1,0,0|2,0,0]=4 1845 B13R1.28 CCCCOCCc1cccnc1 7a_100000210227_200011713674 [0,1,0,1,0,0|2,0,0]=4 1846 B13R1.28 CCCCOCCc1ccncc1 34a_100011216225_100000210210 [0,1,0,1,0,0|2,0,0]=4 1847 B13R1.28 CCCCOCCc1ccncc1 7a_100000210227_100000723409 [0,1,0,1,0,0|2,0,0]=4 1848 B13R1.28 CCCCOCCc1cnccn1 34a_100011349526_100000210210 [0,1,0,1,0,0|2,0,0]=4 1849 B13R1.28 CCCCOCNc1ccccc1 34a_100000106764_100011995733 [0,1,0,1,0,0|2,0,0]=4 1850 B13R1.28 CCCCOCOc1ccccc1 34a_100000210340_100011995733 [0,1,0,1,0,0|2,0,0]=4 1851 B13R1.28 CCCCOCSc1ccccc1 62a_100000719477_100011995733 [0,1,0,1,0,0|2,0,0]=4 1852 B13R1.28 CCCCOCSc1ccccc1 62a_100011995733_100000041952 [0,1,0,1,0,0|2,0,0]=4 1853 B13R1.28 CCCCOCSc1ccccn1 62a_100011216584_100011995733 [0,1,0,1,0,0|2,0,0]=4 1854 B13R1.28 CCCCOCSc1ccccn1 62a_100011995733_100011216584 [0,1,0,1,0,0|2,0,0]=4 1855 B13R1.28 CCCCSCCc1ccccc1 62a_100000210211_100011218657 [0,1,0,1,0,0|1,0,0]=3 1856 B13R1.28 CCCCSCCc1ccccc1 62a_100000765856_100000210210 [0,1,0,1,0,0|1,0,0]=3 1857 B13R1.28 CCCCSCCc1ccccn1 62a_100000210211_100015183660 [0,1,0,1,0,0|1,0,0]=3 1858 B13R1.28 CCCCSCCc1ccccn1 62a_100015183660_100000210210 [0,1,0,1,0,0|1,0,0]=3 1859 B13R1.28 CCCCSCCc1cccnc1 62a_100000210211_200011713674 [0,1,0,1,0,0|2,0,0]=4 1860 B13R1.28 CCCCSCCc1cccnc1 62a_200011713674_100000210210 [0,1,0,1,0,0|2,0,0]=4 1861 B13R1.28 CCCCSCCc1ccncc1 62a_100000210211_100000723409 [0,1,0,1,0,0|2,0,0]=4 1862 B13R1.28 CCCCSCCc1ccncc1 62a_100000723409_100000210210 [0,1,0,1,0,0|2,0,0]=4 1863 B13R1.28 CCCCSCSc1ccccc1 62a_100000210211_100011218342 [0,1,0,1,0,0|2,0,0]=4 1864 B13R1.28 CCCCSCSc1ccccc1 62a_100011218342_100000210210 [0,1,0,1,0,0|2,0,0]=4 1865 B13R1.28 CCCNCCCc1ccccc1 2230a_100000211184_100000210303 [0,1,0,1,0,0|1,0,0]=3 1866 B13R1.28 CCCNCCCc1ccccc1 34a_100000211184_100000210303 [0,1,0,1,0,0|1,0,0]=3 1867 B13R1.28 CCCNCCCc1cccnc1 2230a_100011532358_100000210303 [0,1,0,1,0,0|2,0,0]=4 1868 B13R1.28 CCCNCCCc1cccnc1 34a_100011532358_100000210303 [0,1,0,1,0,0|2,0,0]=4 1869 B13R1.28 CCCNCCCc1ccncc1 2230a_100011275580_100000210303 [0,1,0,1,0,0|2,0,0]=4 1870 B13R1.28 CCCNCCOc1ccccc1 2230a_100000174943_100000210303 [0,1,0,1,0,0|2,0,0]=4 1871 B13R1.28 CCCNCCOc1ccccc1 270004a_100020643023_100000758736 [0,1,0,1,0,0|2,0,0]=4 1872 B13R1.28 CCCNCCOc1ccccc1 34a_100000174943_100000210303 [0,1,0,1,0,0|2,0,0]=4 1873 B13R1.28 CCCNCCOc1ccccn1 2230a_106741647558_100000210303 [0,1,0,1,0,0|2,0,0]=4 1874 B13R1.28 CCCNCCSc1ccccc1 2230a_100000189519_100000210303 [0,1,0,1,0,0|2,0,0]=4 1875 B13R1.28 CCCOCCCC1=CCC=CC1 34a_100020667889_100000210303 [0,1,0,1,0,0|1,0,1]=4 1876 B13R1.28 CCCOCCCc1ccccc1 34a_100000210258_100000211621 [0,1,0,1,0,0|1,0,0]=3 1877 B13R1.28 CCCOCCCc1ccccc1 34a_100000210828_100000210303 [0,1,0,1,0,0|1,0,0]=3 1878 B13R1.28 CCCOCCCc1ccccc1 7a_100000210828_100000210303 [0,1,0,1,0,0|1,0,0]=3 1879 B13R1.28 CCCOCCCc1ccccn1 34a_100011215068_100000210303 [0,1,0,1,0,0|1,0,0]=3 1880 B13R1.28 CCCOCCCc1cccnc1 34a_100000211284_100000210303 [0,1,0,1,0,0|2,0,0]=4 1881 B13R1.28 CCCOCCCc1ccncc1 34a_100000210659_100000210303 [0,1,0,1,0,0|2,0,0]=4 1882 B13R1.28 CCCOCCNc1ccccc1 34a_100000106764_100011215938 [0,1,0,1,0,0|2,0,0]=4 1883 B13R1.28 CCCOCCNc1ccccc1 34a_100000211345_100000210303 [0,1,0,1,0,0|2,0,0]=4 1884 B13R1.28 CCCOCCOc1ccccc1 34a_100000210258_100000184471 [0,1,0,1,0,0|2,0,0]=4 1885 B13R1.28 CCCOCCOc1ccccc1 34a_100000210260_100000210303 [0,1,0,1,0,0|2,0,0]=4 1886 B13R1.28 CCCOCCOc1ccccc1 34a_100000210340_100011215938 [0,1,0,1,0,0|2,0,0]=4 1887 B13R1.28 CCCOCCOc1ccccc1 7a_100000210260_100000210303 [0,1,0,1,0,0|2,0,0]=4 1888 B13R1.28 CCCOCCOc1ccccc1 7a_100000210340_100011215938 [0,1,0,1,0,0|2,0,0]=4 1889 B13R1.28 CCCOCCSc1ccccc1 34a_100000210258_100000246102 [0,1,0,1,0,0|2,0,0]=4 1890 B13R1.28 CCCOCCSc1ccccc1 62a_100000719477_100011215938 [0,1,0,1,0,0|2,0,0]=4 1891 B13R1.28 CCCOCCSc1ccccc1 62a_100011215938_100000041952 [0,1,0,1,0,0|2,0,0]=4 1892 B13R1.28 CCCOCCSc1ccccc1 7a_100000230494_100000210303 [0,1,0,1,0,0|2,0,0]=4 1893 B13R1.28 CCCOCCSc1ccccn1 62a_100011215938_100011216584 [0,1,0,1,0,0|2,0,0]=4 1894 B13R1.28 CCCOCCSc1ccccn1 62a_100011216584_100011215938 [0,1,0,1,0,0|2,0,0]=4 1895 B13R1.28 CCCOCCSc1ccccn1 7a_100000156319_100000210303 [0,1,0,1,0,0|2,0,0]=4 1896 B13R1.28 CCCOCOCc1ccccc1 34a_100000210258_100000763385 [0,1,0,1,0,0|2,0,0]=4 1897 B13R1.28 CCCOCSCc1ccccc1 34a_100000210258_200011217039 [0,1,0,1,0,0|2,0,0]=4 1898 B13R1.28 CCCSCCCc1ccccc1 62a_100000210303_100000211621 [0,1,0,1,0,0|1,0,0]=3 1899 B13R1.28 CCCSCCCc1ccccc1 62a_100000211621_100000210303 [0,1,0,1,0,0|1,0,0]=3 1900 B13R1.28 CCCSCCOc1ccccc1 62a_100000184471_100000210303 [0,1,0,1,0,0|2,0,0]=4 1901 B13R1.28 CCCSCCOc1ccccc1 62a_100000210303_100000184471 [0,1,0,1,0,0|2,0,0]=4 1902 B13R1.28 CCCSCCSc1ccccc1 62a_100000210303_100000246102 [0,1,0,1,0,0|2,0,0]=4 1903 B13R1.28 CCCSCCSc1ccccc1 62a_100000246102_100000210303 [0,1,0,1,0,0|2,0,0]=4 1904 B13R1.28 CCCSCOCc1ccccc1 62a_100000210303_100000763385 [0,1,0,1,0,0|2,0,0]=4 1905 B13R1.28 CCCSCOCc1ccccc1 62a_100000763385_100000210303 [0,1,0,1,0,0|2,0,0]=4 1906 B13R1.28 CCCSCSCc1ccccc1 62a_100000210303_200011217039 [0,1,0,1,0,0|2,0,0]=4 1907 B13R1.28 CCCSCSCc1ccccc1 62a_200011217039_100000210303 [0,1,0,1,0,0|2,0,0]=4 1908 B13R1.28 CCNCCCCc1ccccc1 2230a_100015280158_100000210202 [0,1,0,1,0,0|1,0,0]=3 1909 B13R1.28 CCNCCCCc1ccccc1 2230a_100015525214_100000701786 [0,1,0,1,0,0|1,0,0]=3 1910 B13R1.28 CCNCCCCc1ccccc1 34a_100015280158_100000210202 [0,1,0,1,0,0|1,0,0]=3 1911 B13R1.28 CCNCCCCc1ccncc1 2230a_100015525214_100020630000 [0,1,0,1,0,0|2,0,0]=4 1912 B13R1.28 CCNCCCOc1ccccc1 2230a_100000216521_100000210202 [0,1,0,1,0,0|2,0,0]=4 1913 B13R1.28 CCNCCCOc1ccccc1 2230a_100015525214_100000199009 [0,1,0,1,0,0|2,0,0]=4 1914 B13R1.28 CCNCCCOc1ccccc1 34a_100000216521_100000210202 [0,1,0,1,0,0|2,0,0]=4 1915 B13R1.28 CCNCCCSc1ccccc1 2230a_100000184639_100000210202 [0,1,0,1,0,0|2,0,0]=4 1916 B13R1.28 CCNCCCSc1ccccc1 2230a_100015525214_200011203293 [0,1,0,1,0,0|2,0,0]=4 1917 B13R1.28 CCNCCOCc1ccccc1 2230a_100000753106_100000210202 [0,1,0,1,0,0|2,0,0]=4 1918 B13R1.28 CCNCCOCc1ccccc1 2230a_100015525214_100000234347 [0,1,0,1,0,0|2,0,0]=4 1919 B13R1.28 CCNCCOCc1ccccc1 34a_100000753106_100000210202 [0,1,0,1,0,0|2,0,0]=4 1920 B13R1.28 CCNCCSCc1ccccc1 2230a_100000189534_100000210202 [0,1,0,1,0,0|2,0,0]=4 1921 B13R1.28 CCNCCSCc1ccccc1 2230a_100015525214_200011297719 [0,1,0,1,0,0|2,0,0]=4 1922 B13R1.28 CCNCCSCc1ccccc1 34a_100000189534_100000210202 [0,1,0,1,0,0|2,0,0]=4 1923 B13R1.28 CCNCCSCc1ccccc1 7a_100000189534_100000210202 [0,1,0,1,0,0|2,0,0]=4 1924 B13R1.28 CCOCCCCc1ccccc1 34a_100000703073_100000210202 [0,1,0,1,0,0|1,0,0]=3 1925 B13R1.28 CCOCCCCc1ccccc1 34a_100121572206_100000701786 [0,1,0,1,0,0|1,0,0]=3 1926 B13R1.28 CCOCCCCc1ccccc1 7a_100000703073_100000210202 [0,1,0,1,0,0|1,0,0]=3 1927 B13R1.28 CCOCCCCc1ccccn1 34a_100012186994_100000210202 [0,1,0,1,0,0|1,0,0]=3 1928 B13R1.28 CCOCCCCc1cccnc1 34a_100012039607_100000210202 [0,1,0,1,0,0|2,0,0]=4 1929 B13R1.28 CCOCCCCc1cccnc1 7a_100012039607_100000210202 [0,1,0,1,0,0|2,0,0]=4 1930 B13R1.28 CCOCCCCc1ccncc1 34a_100011787716_100000210202 [0,1,0,1,0,0|2,0,0]=4 1931 B13R1.28 CCOCCCNc1ccccc1 34a_100000106764_100012232248 [0,1,0,1,0,0|2,0,0]=4 1932 B13R1.28 CCOCCCNc1ccccc1 34a_100000212590_100000210202 [0,1,0,1,0,0|2,0,0]=4 1933 B13R1.28 CCOCCCOc1ccccc1 34a_100000210340_100012232248 [0,1,0,1,0,0|2,0,0]=4 1934 B13R1.28 CCOCCCOc1ccccc1 34a_100011215863_100000210202 [0,1,0,1,0,0|2,0,0]=4 1935 B13R1.28 CCOCCCOc1ccccc1 34a_100121572206_100000199009 [0,1,0,1,0,0|2,0,0]=4 1936 B13R1.28 CCOCCCOc1ccccc1 7a_100000210340_100012232248 [0,1,0,1,0,0|2,0,0]=4 1937 B13R1.28 CCOCCCOc1ccccc1 7a_100011215863_100000210202 [0,1,0,1,0,0|2,0,0]=4 1938 B13R1.28 CCOCCCSc1ccccc1 34a_100121572206_200011203293 [0,1,0,1,0,0|2,0,0]=4 1939 B13R1.28 CCOCCCSc1ccccc1 62a_100000719477_100012232248 [0,1,0,1,0,0|2,0,0]=4 1940 B13R1.28 CCOCCCSc1ccccc1 62a_100012232248_100000041952 [0,1,0,1,0,0|2,0,0]=4 1941 B13R1.28 CCOCCCSc1ccccn1 62a_100011216584_100012232248 [0,1,0,1,0,0|2,0,0]=4 1942 B13R1.28 CCOCCCSc1ccccn1 62a_100012232248_100011216584 [0,1,0,1,0,0|2,0,0]=4 1943 B13R1.28 CCOCCNCc1ccccc1 207a_100011200944_100015611070 [0,1,0,1,0,0|2,0,0]=4 1944 B13R1.28 CCOCCNCc1ccccc1 2230a_100015324214_100011215890 [0,1,0,1,0,0|2,0,0]=4 1945 B13R1.28 CCOCCNCc1ccccc1 2230a_102516460346_100015291786 [0,1,0,1,0,0|2,0,0]=4 1946 B13R1.28 CCOCCNCc1ccccc1 270004a_102516460346_100015611070 [0,1,0,1,0,0|2,0,0]=4 1947 B13R1.28 CCOCCNCc1ccccc1 34a_100000180844_100000210202 [0,1,0,1,0,0|2,0,0]=4 1948 B13R1.28 CCOCCNCc1ccccc1 34a_100015324214_100000210147 [0,1,0,1,0,0|2,0,0]=4 1949 B13R1.28 CCOCCNCc1ccccc1 34a_102516460346_100015291786 [0,1,0,1,0,0|2,0,0]=4 1950 B13R1.28 CCOCCNCc1ccccn1 207a_100011200944_100000209966 [0,1,0,1,0,0|2,0,0]=4 1951 B13R1.28 CCOCCNCc1ccccn1 2230a_102516460346_100000721315 [0,1,0,1,0,0|2,0,0]=4 1952 B13R1.28 CCOCCNCc1ccccn1 270004a_102516460346_100000209966 [0,1,0,1,0,0|2,0,0]=4 1953 B13R1.28 CCOCCNCc1ccccn1 34a_102516460346_100000721315 [0,1,0,1,0,0|2,0,0]=4 1954 B13R1.28 CCOCCOCc1ccccc1 34a_100000210136_100015291786 [0,1,0,1,0,0|2,0,0]=4 1955 B13R1.28 CCOCCOCc1ccccc1 34a_100000210790_100000210147 [0,1,0,1,0,0|2,0,0]=4 1956 B13R1.28 CCOCCOCc1ccccc1 34a_100000759325_100000210202 [0,1,0,1,0,0|2,0,0]=4 1957 B13R1.28 CCOCCOCc1ccccc1 34a_100121572206_100000234347 [0,1,0,1,0,0|2,0,0]=4 1958 B13R1.28 CCOCCOCc1ccccc1 7a_100000210136_100000211182 [0,1,0,1,0,0|2,0,0]=4 1959 B13R1.28 CCOCCOCc1ccccc1 7a_100000210790_100011215890 [0,1,0,1,0,0|2,0,0]=4 1960 B13R1.28 CCOCCOCc1ccccc1 7a_100000759325_100000210202 [0,1,0,1,0,0|2,0,0]=4 1961 B13R1.28 CCOCCOCc1ccccn1 34a_100000210136_100000721315 [0,1,0,1,0,0|2,0,0]=4 1962 B13R1.28 CCOCCOCc1ccccn1 7a_100000210136_100000721315 [0,1,0,1,0,0|2,0,0]=4 1963 B13R1.28 CCOCCSCc1ccccc1 34a_100011205989_100000210202 [0,1,0,1,0,0|2,0,0]=4 1964 B13R1.28 CCOCCSCc1ccccc1 34a_100121572206_200011297719 [0,1,0,1,0,0|2,0,0]=4 1965 B13R1.28 CCOCCSCc1ccccc1 62a_100000210147_100015291786 [0,1,0,1,0,0|2,0,0]=4 1966 B13R1.28 CCOCCSCc1ccccc1 62a_100000211182_100011215890 [0,1,0,1,0,0|2,0,0]=4 1967 B13R1.28 CCOCCSCc1ccccc1 7a_100011205989_100000210202 [0,1,0,1,0,0|2,0,0]=4 1968 B13R1.28 CCOCCSCc1ccccn1 62a_100000210147_100000721315 [0,1,0,1,0,0|2,0,0]=4 1969 B13R1.28 CCOCCSCc1ccccn1 62a_100000721315_100011215890 [0,1,0,1,0,0|2,0,0]=4 1970 B13R1.28 CCOCSCCc1ccccc1 62a_100000739092_100011218657 [0,1,0,1,0,0|2,0,0]=4 1971 B13R1.28 CCOCSCCc1ccccc1 62a_100000765856_100000739092 [0,1,0,1,0,0|2,0,0]=4 1972 B13R1.28 CCOCSCCc1ccccn1 62a_100000739092_100015183660 [0,1,0,1,0,0|2,0,0]=4 1973 B13R1.28 CCOCSCCc1ccccn1 62a_100015183660_100000739092 [0,1,0,1,0,0|2,0,0]=4 1974 B13R1.28 CCSCCCCc1ccccc1 62a_100000210202_100000701786 [0,1,0,1,0,0|1,0,0]=3 1975 B13R1.28 CCSCCCCc1ccccc1 62a_100000701786_100000210202 [0,1,0,1,0,0|1,0,0]=3 1976 B13R1.28 CCSCCCCc1ccncc1 62a_100000210202_100020630000 [0,1,0,1,0,0|2,0,0]=4 1977 B13R1.28 CCSCCCCc1ccncc1 62a_100020630000_100000210202 [0,1,0,1,0,0|2,0,0]=4 1978 B13R1.28 CCSCCCOc1ccccc1 62a_100000199009_100000210202 [0,1,0,1,0,0|2,0,0]=4 1979 B13R1.28 CCSCCCOc1ccccc1 62a_100000210202_100000199009 [0,1,0,1,0,0|2,0,0]=4 1980 B13R1.28 CCSCCCSc1ccccc1 62a_100000210202_200011203293 [0,1,0,1,0,0|2,0,0]=4 1981 B13R1.28 CCSCCCSc1ccccc1 62a_200011203293_100000210202 [0,1,0,1,0,0|2,0,0]=4 1982 B13R1.28 CCSCCNCc1ccccc1 207a_100000106463_100015611070 [0,1,0,1,0,0|2,0,0]=4 1983 B13R1.28 CCSCCNCc1ccccc1 2230a_100000106463_100015291786 [0,1,0,1,0,0|2,0,0]=4 1984 B13R1.28 CCSCCNCc1ccccc1 2230a_100015324214_100000757381 [0,1,0,1,0,0|2,0,0]=4 1985 B13R1.28 CCSCCNCc1ccccc1 270004a_100000106463_100015611070 [0,1,0,1,0,0|2,0,0]=4 1986 B13R1.28 CCSCCNCc1ccccc1 34a_100015324214_100000757381 [0,1,0,1,0,0|2,0,0]=4 1987 B13R1.28 CCSCCNCc1ccccn1 207a_100000106463_100000209966 [0,1,0,1,0,0|2,0,0]=4 1988 B13R1.28 CCSCCNCc1ccccn1 2230a_100000106463_100000721315 [0,1,0,1,0,0|2,0,0]=4 1989 B13R1.28 CCSCCNCc1ccccn1 270004a_100000106463_100000209966 [0,1,0,1,0,0|2,0,0]=4 1990 B13R1.28 CCSCCOCc1ccccc1 34a_100000210790_100000757381 [0,1,0,1,0,0|2,0,0]=4 1991 B13R1.28 CCSCCOCc1ccccc1 34a_100000212035_100015291786 [0,1,0,1,0,0|2,0,0]=4 1992 B13R1.28 CCSCCOCc1ccccc1 62a_100000210202_100000234347 [0,1,0,1,0,0|2,0,0]=4 1993 B13R1.28 CCSCCOCc1ccccc1 62a_100000234347_100000210202 [0,1,0,1,0,0|2,0,0]=4 1994 B13R1.28 CCSCCOCc1ccccc1 7a_100000210790_100000757381 [0,1,0,1,0,0|2,0,0]=4 1995 B13R1.28 CCSCCOCc1ccccc1 7a_100000212035_100000211182 [0,1,0,1,0,0|2,0,0]=4 1996 B13R1.28 CCSCCOCc1ccccn1 34a_100000212035_100000721315 [0,1,0,1,0,0|2,0,0]=4 1997 B13R1.28 CCSCCOCc1ccccn1 7a_100000212035_100000721315 [0,1,0,1,0,0|2,0,0]=4 1998 B13R1.28 CCSCCSCc1ccccc1 62a_100000210202_200011297719 [0,1,0,1,0,0|2,0,0]=4 1999 B13R1.28 CCSCCSCc1ccccc1 62a_100000211182_100000757381 [0,1,0,1,0,0|2,0,0]=4 2000 B13R1.28 CCSCCSCc1ccccc1 62a_100000757381_100015291786 [0,1,0,1,0,0|2,0,0]=4 2001 B13R1.28 CCSCCSCc1ccccc1 62a_200011297719_100000210202 [0,1,0,1,0,0|2,0,0]=4 2002 B13R1.28 CCSCCSCc1ccccn1 62a_100000721315_100000757381 [0,1,0,1,0,0|2,0,0]=4 2003 B13R1.28 CCSCCSCc1ccccn1 62a_100000757381_100000721315 [0,1,0,1,0,0|2,0,0]=4 2004 B13R1.28 CNCCCCCc1ccccc1 2230a_100000750932_200000210301 [0,1,0,1,0,0|1,0,0]=3 2005 B13R1.28 CNCCCCCc1ccccc1 2230a_106832991635_200011217138 [0,1,0,1,0,0|1,0,0]=3 2006 B13R1.28 CNCCCCCc1ccccc1 34a_100000750932_200000210301 [0,1,0,1,0,0|1,0,0]=3 2007 B13R1.28 CNCCCCCc1ccccc1 34a_100102657272_200011217138 [0,1,0,1,0,0|1,0,0]=3 2008 B13R1.28 CNCCCCCc1ccccc1 7a_106832991635_200011217138 [0,1,0,1,0,0|1,0,0]=3 2009 B13R1.28 CNCCCCOc1ccccc1 2230a_106832991635_100011215240 [0,1,0,1,0,0|2,0,0]=4 2010 B13R1.28 CNCCCCOc1ccccc1 34a_100102657272_100011215240 [0,1,0,1,0,0|2,0,0]=4 2011 B13R1.28 CNCCCCOc1ccccc1 7a_106832991635_100011215240 [0,1,0,1,0,0|2,0,0]=4 2012 B13R1.28 CNCCCOCc1ccccc1 2230a_106832991635_100011215529 [0,1,0,1,0,0|2,0,0]=4 2013 B13R1.28 CNCCCOCc1ccccc1 2230a_200000206031_200000210301 [0,1,0,1,0,0|2,0,0]=4 2014 B13R1.28 CNCCCOCc1ccccc1 34a_100000213112_100015291786 [0,1,0,1,0,0|2,0,0]=4 2015 B13R1.28 CNCCCOCc1ccccc1 34a_100102657272_100011215529 [0,1,0,1,0,0|2,0,0]=4 2016 B13R1.28 CNCCCOCc1ccccc1 34a_200000206031_200000210301 [0,1,0,1,0,0|2,0,0]=4 2017 B13R1.28 CNCCCOCc1ccccc1 7a_106832991635_100011215529 [0,1,0,1,0,0|2,0,0]=4 2018 B13R1.28 CNCCCOCc1ccccn1 34a_100000213112_100000721315 [0,1,0,1,0,0|2,0,0]=4 2019 B13R1.28 COCCCCCc1ccccc1 34a_100138415774_200011217138 [0,1,0,1,0,0|1,0,0]=3 2020 B13R1.28 COCCCCCc1ccccc1 34a_200011219639_200000210301 [0,1,0,1,0,0|1,0,0]=3 2021 B13R1.28 COCCCCCc1ccccc1 7a_200011219639_200000210301 [0,1,0,1,0,0|1,0,0]=3 2022 B13R1.28 COCCCCNc1ccccc1 34a_100000106764_100000755781 [0,1,0,1,0,0|2,0,0]=4 2023 B13R1.28 COCCCCOc1ccccc1 34a_100000210340_100000755781 [0,1,0,1,0,0|2,0,0]=4 2024 B13R1.28 COCCCCOc1ccccc1 34a_100000752354_200000210301 [0,1,0,1,0,0|2,0,0]=4 2025 B13R1.28 COCCCCOc1ccccc1 34a_100138415774_100011215240 [0,1,0,1,0,0|2,0,0]=4 2026 B13R1.28 COCCCCOc1ccccc1 7a_100000210340_100000730899 [0,1,0,1,0,0|2,0,0]=4 2027 B13R1.28 COCCCCOc1ccccc1 7a_100000752354_200000210301 [0,1,0,1,0,0|2,0,0]=4 2028 B13R1.28 COCCCCSc1ccccc1 62a_100000719477_100000730899 [0,1,0,1,0,0|2,0,0]=4 2029 B13R1.28 COCCCCSc1ccccc1 62a_100000730899_100000041952 [0,1,0,1,0,0|2,0,0]=4 2030 B13R1.28 COCCCCSc1ccccn1 62a_100000730899_100011216584 [0,1,0,1,0,0|2,0,0]=4 2031 B13R1.28 COCCCCSc1ccccn1 62a_100011216584_100000730899 [0,1,0,1,0,0|2,0,0]=4 2032 B13R1.28 COCCCNCc1ccccc1 207a_100150723488_100015611070 [0,1,0,1,0,0|2,0,0]=4 2033 B13R1.28 COCCCNCc1ccccc1 2230a_100015324214_100000740836 [0,1,0,1,0,0|2,0,0]=4 2034 B13R1.28 COCCCNCc1ccccc1 270004a_100150723488_100015611070 [0,1,0,1,0,0|2,0,0]=4 2035 B13R1.28 COCCCNCc1ccccc1 34a_100000185501_200000210301 [0,1,0,1,0,0|2,0,0]=4 2036 B13R1.28 COCCCNCc1ccccc1 34a_100015324214_100000740836 [0,1,0,1,0,0|2,0,0]=4 2037 B13R1.28 COCCCNCc1ccccc1 34a_100150723488_100015291786 [0,1,0,1,0,0|2,0,0]=4 2038 B13R1.28 COCCCNCc1ccccn1 207a_100150723488_100000209966 [0,1,0,1,0,0|2,0,0]=4 2039 B13R1.28 COCCCNCc1ccccn1 270004a_100150723488_100000209966 [0,1,0,1,0,0|2,0,0]=4 2040 B13R1.28 COCCCNCc1ccccn1 34a_100150723488_100000721315 [0,1,0,1,0,0|2,0,0]=4 2041 B13R1.28 COCCCOCc1ccccc1 34a_100000210790_100000740836 [0,1,0,1,0,0|2,0,0]=4 2042 B13R1.28 COCCCOCc1ccccc1 34a_100000691849_200000210301 [0,1,0,1,0,0|2,0,0]=4 2043 B13R1.28 COCCCOCc1ccccc1 34a_100000740835_100015291786 [0,1,0,1,0,0|2,0,0]=4 2044 B13R1.28 COCCCOCc1ccccc1 34a_100138415774_100011215529 [0,1,0,1,0,0|2,0,0]=4 2045 B13R1.28 COCCCOCc1ccccc1 7a_100000210790_100000740836 [0,1,0,1,0,0|2,0,0]=4 2046 B13R1.28 COCCCOCc1ccccc1 7a_100000691849_200000210301 [0,1,0,1,0,0|2,0,0]=4 2047 B13R1.28 COCCCOCc1ccccn1 34a_100000740835_100000721315 [0,1,0,1,0,0|2,0,0]=4 2048 B13R1.28 COCCCSCc1ccccc1 62a_100000211182_100000709357 [0,1,0,1,0,0|2,0,0]=4 2049 B13R1.28 COCCCSCc1ccccc1 62a_100000709357_100015291786 [0,1,0,1,0,0|2,0,0]=4 2050 B13R1.28 COCCCSCc1ccccn1 62a_100000709357_100000721315 [0,1,0,1,0,0|2,0,0]=4 2051 B13R1.28 COCCCSCc1ccccn1 62a_100000721315_100000709357 [0,1,0,1,0,0|2,0,0]=4 2052 B13R1.28 COCCNCCc1ccccc1 2230a_100000106460_100011201679 [0,1,0,1,0,0|2,0,0]=4 2053 B13R1.28 COCCNCCc1ccccc1 2230a_100000209980_100000765856 [0,1,0,1,0,0|2,0,0]=4 2054 B13R1.28 COCCNCCc1ccccc1 34a_100000106460_100011201679 [0,1,0,1,0,0|2,0,0]=4 2055 B13R1.28 COCCNCCc1ccccn1 2230a_100000209980_100015183660 [0,1,0,1,0,0|2,0,0]=4 2056 B13R1.28 COCCOCCc1ccccc1 34a_100000210237_100000765856 [0,1,0,1,0,0|2,0,0]=4 2057 B13R1.28 COCCOCCc1ccccc1 34a_100000210268_100011201679 [0,1,0,1,0,0|2,0,0]=4 2058 B13R1.28 COCCOCCc1ccccc1 7a_100000210268_100000233755 [0,1,0,1,0,0|2,0,0]=4 2059 B13R1.28 COCCOCCc1ccccn1 34a_100000210271_100011201679 [0,1,0,1,0,0|2,0,0]=4 2060 B13R1.28 COCCSCCc1ccccc1 62a_100000233755_100011218657 [0,1,0,1,0,0|2,0,0]=4 2061 B13R1.28 COCCSCCc1ccccc1 62a_100000765856_100000233755 [0,1,0,1,0,0|2,0,0]=4 2062 B13R1.28 COCCSCCc1ccccn1 34a_100011362645_200000210301 [0,1,0,1,0,0|2,0,0]=4 2063 B13R1.28 COCCSCCc1ccccn1 62a_100000233755_100015183660 [0,1,0,1,0,0|2,0,0]=4 2064 B13R1.28 COCCSCCc1ccccn1 62a_100015183660_100000233755 [0,1,0,1,0,0|2,0,0]=4 2065 B13R1.28 COCCSCCc1ccccn1 7a_100011362645_200000210301 [0,1,0,1,0,0|2,0,0]=4 2066 B13R1.28 COCNCCCc1ccccc1 2230a_100000211184_100000766300 [0,1,0,1,0,0|2,0,0]=4 2067 B13R1.28 COCSCCCc1ccccc1 62a_100000211621_100000766300 [0,1,0,1,0,0|2,0,0]=4 2068 B13R1.28 COCSCCCc1ccccc1 62a_100000766300_100000211621 [0,1,0,1,0,0|2,0,0]=4 2069 B13R1.28 CSCCCCCc1ccccc1 62a_200000210301_200011217138 [0,1,0,1,0,0|1,0,0]=3 2070 B13R1.28 CSCCCCCc1ccccc1 62a_200011217138_200000210301 [0,1,0,1,0,0|1,0,0]=3 2071 B13R1.28 CSCCCCOc1ccccc1 62a_100011215240_200000210301 [0,1,0,1,0,0|2,0,0]=4 2072 B13R1.28 CSCCCCOc1ccccc1 62a_200000210301_100011215240 [0,1,0,1,0,0|2,0,0]=4 2073 B13R1.28 CSCCCNCc1ccccc1 207a_100000749238_100015611070 [0,1,0,1,0,0|2,0,0]=4 2074 B13R1.28 CSCCCNCc1ccccc1 2230a_100000749238_100015291786 [0,1,0,1,0,0|2,0,0]=4 2075 B13R1.28 CSCCCNCc1ccccc1 270004a_100000749238_100015611070 [0,1,0,1,0,0|2,0,0]=4 2076 B13R1.28 CSCCCNCc1ccccn1 207a_100000749238_100000209966 [0,1,0,1,0,0|2,0,0]=4 2077 B13R1.28 CSCCCNCc1ccccn1 2230a_100000749238_100000721315 [0,1,0,1,0,0|2,0,0]=4 2078 B13R1.28 CSCCCNCc1ccccn1 270004a_100000749238_100000209966 [0,1,0,1,0,0|2,0,0]=4 2079 B13R1.28 CSCCCOCc1ccccc1 34a_100000690336_100015291786 [0,1,0,1,0,0|2,0,0]=4 2080 B13R1.28 CSCCCOCc1ccccc1 62a_100011215529_200000210301 [0,1,0,1,0,0|2,0,0]=4 2081 B13R1.28 CSCCCOCc1ccccc1 62a_200000210301_100011215529 [0,1,0,1,0,0|2,0,0]=4 2082 B13R1.28 CSCCCOCc1ccccc1 7a_100000690336_100000211182 [0,1,0,1,0,0|2,0,0]=4 2083 B13R1.28 CSCCCOCc1ccccn1 34a_100000690336_100000721315 [0,1,0,1,0,0|2,0,0]=4 2084 B13R1.28 CSCCCOCc1ccccn1 7a_100000690336_100000721315 [0,1,0,1,0,0|2,0,0]=4 2085 B13R1.28 CSCCNCCc1ccccc1 2230a_100000106460_100000751147 [0,1,0,1,0,0|2,0,0]=4 2086 B13R1.28 CSCCNCCc1ccccc1 2230a_100020590264_100000765856 [0,1,0,1,0,0|2,0,0]=4 2087 B13R1.28 CSCCNCCc1ccccc1 34a_100000106460_100000212216 [0,1,0,1,0,0|2,0,0]=4 2088 B13R1.28 CSCCNCCc1ccccn1 2230a_100020590264_100015183660 [0,1,0,1,0,0|2,0,0]=4 2089 B13R1.28 CSCCOCCc1ccccc1 34a_100000210268_100000212216 [0,1,0,1,0,0|2,0,0]=4 2090 B13R1.28 CSCCOCCc1ccccc1 34a_100000230434_100000765856 [0,1,0,1,0,0|2,0,0]=4 2091 B13R1.28 CSCCOCCc1ccccc1 7a_100000210268_100000212216 [0,1,0,1,0,0|2,0,0]=4 2092 B13R1.28 CSCCOCCc1ccccc1 7a_100000230434_100000765856 [0,1,0,1,0,0|2,0,0]=4 2093 B13R1.28 CSCCOCCc1ccccn1 34a_100000210271_100000212216 [0,1,0,1,0,0|2,0,0]=4 2094 B13R1.28 CSCCOCCc1ccccn1 7a_100000230434_100015183660 [0,1,0,1,0,0|2,0,0]=4 2095 B13R1.28 CSCCSCCc1ccccc1 62a_100000212216_100011218657 [0,1,0,1,0,0|2,0,0]=4 2096 B13R1.28 CSCCSCCc1ccccc1 62a_100000765856_100000751147 [0,1,0,1,0,0|2,0,0]=4 2097 B13R1.28 CSCCSCCc1ccccn1 62a_100000212216_100015183660 [0,1,0,1,0,0|2,0,0]=4 2098 B13R1.28 CSCCSCCc1ccccn1 62a_100015183660_100000751147 [0,1,0,1,0,0|2,0,0]=4 2099 B13R1.28 CSCNCCCc1ccccc1 2230a_100000211184_100011218213 [0,1,0,1,0,0|2,0,0]=4 2100 B13R1.28 CSCNCCCc1ccccc1 34a_100000211184_100011218213 [0,1,0,1,0,0|2,0,0]=4 2101 B13R1.28 CSCOCCCc1ccccc1 34a_100000210828_100011218213 [0,1,0,1,0,0|2,0,0]=4 2102 B13R1.28 CSCOCCCc1ccccn1 34a_100011215068_100011218213 [0,1,0,1,0,0|2,0,0]=4 2103 B13R1.28 CSCSCCCc1ccccc1 62a_100000211621_100011218213 [0,1,0,1,0,0|2,0,0]=4 2104 B13R1.28 CSCSCCCc1ccccc1 62a_100011218213_100000211621 [0,1,0,1,0,0|2,0,0]=4 2105 B13R1.28 ClCCCCOCc1ccccc1 34a_100000210776_100015291786 [0,1,0,1,0,0|2,0,0]=4 2106 B13R1.28 ClCCCCOCc1ccccc1 7a_100000210776_100000211182 [0,1,0,1,0,0|2,0,0]=4 2107 B13R1.28 ClCCCCOCc1ccccn1 34a_100000210776_100000721315 [0,1,0,1,0,0|2,0,0]=4 2108 B13R1.28 ClCCCCOCc1ccccn1 7a_100000210776_100000721315 [0,1,0,1,0,0|2,0,0]=4 2109 B13R1.28 ClCCCOCCc1ccccc1 34a_100000230001_100000765856 [0,1,0,1,0,0|2,0,0]=4 2110 B13R1.28 FCCCCCNc1ccccc1 34a_100000106764_100000729378 [0,1,0,1,0,0|2,0,0]=4 2111 B13R1.28 FCCCCCOc1ccccc1 34a_100000210340_100000729378 [0,1,0,1,0,0|2,0,0]=4 2112 B13R1.28 FCCCCCOc1ccccc1 7a_100000210340_100000729378 [0,1,0,1,0,0|2,0,0]=4 2113 B13R1.28 FCCCCCSc1ccccc1 62a_100000719477_100000729378 [0,1,0,1,0,0|2,0,0]=4 2114 B13R1.28 FCCCCCSc1ccccc1 62a_100000729378_100000041952 [0,1,0,1,0,0|2,0,0]=4 2115 B13R1.28 FCCCCCSc1ccccn1 62a_100000729378_100011216584 [0,1,0,1,0,0|2,0,0]=4 2116 B13R1.28 FCCCCCSc1ccccn1 62a_100011216584_100000729378 [0,1,0,1,0,0|2,0,0]=4 2117 B13R1.28 FCCCCNCc1ccccc1 2230a_100015324214_100000729493 [0,1,0,1,0,0|2,0,0]=4 2118 B13R1.28 FCCCCNCc1ccccc1 34a_100015324214_100000729493 [0,1,0,1,0,0|2,0,0]=4 2119 B13R1.28 FCCCCOCc1ccccc1 34a_100000210790_100000729493 [0,1,0,1,0,0|2,0,0]=4 2120 B13R1.28 FCCCCOCc1ccccc1 34a_100011995726_100015291786 [0,1,0,1,0,0|2,0,0]=4 2121 B13R1.28 FCCCCOCc1ccccc1 7a_100000210790_100000729493 [0,1,0,1,0,0|2,0,0]=4 2122 B13R1.28 FCCCCOCc1ccccc1 7a_100011995726_100000211182 [0,1,0,1,0,0|2,0,0]=4 2123 B13R1.28 FCCCCOCc1ccccn1 34a_100011995726_100000721315 [0,1,0,1,0,0|2,0,0]=4 2124 B13R1.28 FCCCCOCc1ccccn1 7a_100011995726_100000721315 [0,1,0,1,0,0|2,0,0]=4 2125 B13R1.28 FCCCCSCc1ccccc1 62a_100000211182_100000729493 [0,1,0,1,0,0|2,0,0]=4 2126 B13R1.28 FCCCCSCc1ccccc1 62a_100000729493_100015291786 [0,1,0,1,0,0|2,0,0]=4 2127 B13R1.28 FCCCCSCc1ccccn1 62a_100000721315_100000729493 [0,1,0,1,0,0|2,0,0]=4 2128 B13R1.28 FCCCCSCc1ccccn1 62a_100000729493_100000721315 [0,1,0,1,0,0|2,0,0]=4 2129 B13R1.28 FCCCNCCc1ccccc1 2230a_100000106460_100011934791 [0,1,0,1,0,0|2,0,0]=4 2130 B13R1.28 FCCCNCCc1ccccc1 2230a_100015189416_100000765856 [0,1,0,1,0,0|2,0,0]=4 2131 B13R1.28 FCCCNCCc1ccccc1 34a_100000106460_100011934791 [0,1,0,1,0,0|2,0,0]=4 2132 B13R1.28 FCCCNCCc1ccccc1 34a_100015189416_100000765856 [0,1,0,1,0,0|2,0,0]=4 2133 B13R1.28 FCCCNCCc1ccccn1 2230a_100015189416_100015183660 [0,1,0,1,0,0|2,0,0]=4 2134 B13R1.28 FCCCOCCc1ccccc1 34a_100000210268_100011934791 [0,1,0,1,0,0|2,0,0]=4 2135 B13R1.28 FCCCOCCc1ccccc1 34a_100000759539_100000765856 [0,1,0,1,0,0|2,0,0]=4 2136 B13R1.28 FCCCOCCc1ccccc1 7a_100000210268_100011934791 [0,1,0,1,0,0|2,0,0]=4 2137 B13R1.28 FCCCOCCc1ccccn1 34a_100000210271_100011934791 [0,1,0,1,0,0|2,0,0]=4 2138 B13R1.28 FCCCSCCc1ccccc1 62a_100000765856_100011934791 [0,1,0,1,0,0|2,0,0]=4 2139 B13R1.28 FCCCSCCc1ccccc1 62a_100011934791_100011218657 [0,1,0,1,0,0|2,0,0]=4 2140 B13R1.28 FCCCSCCc1ccccn1 62a_100011934791_100015183660 [0,1,0,1,0,0|2,0,0]=4 2141 B13R1.28 FCCCSCCc1ccccn1 62a_100015183660_100011934791 [0,1,0,1,0,0|2,0,0]=4 2142 B13R1.28 FCCNCCCc1ccccc1 2230a_100000211184_100011217306 [0,1,0,1,0,0|2,0,0]=4 2143 B13R1.28 FCCNCCCc1ccccc1 34a_100000211184_100011217306 [0,1,0,1,0,0|2,0,0]=4 2144 B13R1.28 FCCNCCCc1ccccc1 34a_100000724931_100000211621 [0,1,0,1,0,0|2,0,0]=4 2145 B13R1.28 FCCOCCCc1ccccc1 34a_100000210828_100011217306 [0,1,0,1,0,0|2,0,0]=4 2146 B13R1.28 FCCOCCCc1ccccc1 7a_100000210828_100011217306 [0,1,0,1,0,0|2,0,0]=4 2147 B13R1.28 FCCOCCCc1ccccn1 34a_100011215068_100011217306 [0,1,0,1,0,0|2,0,0]=4 2148 B13R1.28 FCCSCCCc1ccccc1 62a_100000211621_100011217306 [0,1,0,1,0,0|2,0,0]=4 2149 B13R1.28 FCCSCCCc1ccccc1 62a_100011217306_100000211621 [0,1,0,1,0,0|2,0,0]=4 2150 B13R1.28 FCNCCCCc1ccccc1 34a_100015280158_100015361967 [0,1,0,1,0,0|2,0,0]=4 2151 B13R1.28 FCOCCCCc1ccccc1 34a_100000703073_100015361967 [0,1,0,1,0,0|2,0,0]=4 2152 B13R1.28 FCOCCCCc1ccccc1 7a_100000703073_100015361967 [0,1,0,1,0,0|2,0,0]=4 2153 B13R1.28 FCOCCCCc1ccccn1 34a_100012186994_100015361967 [0,1,0,1,0,0|2,0,0]=4 2154 B13R1.28 FCSCCCCc1ccccc1 62a_100000701786_100015361967 [0,1,0,1,0,0|2,0,0]=4 2155 B13R1.28 FCSCCCCc1ccccc1 62a_100015361967_100000701786 [0,1,0,1,0,0|2,0,0]=4 2156 B13R1.28 ICCCCOCc1ccccc1 34a_200012148704_100015291786 [0,1,0,1,0,0|2,0,0]=4 2157 B13R1.28 ICCCCOCc1ccccn1 34a_200012148704_100000721315 [0,1,0,1,0,0|2,0,0]=4 2158 B13R1.28 NCCCCOCc1ccccc1 34a_100000750430_100015291786 [0,1,0,1,0,0|2,0,0]=4 2159 B13R1.28 NCCCCOCc1ccccn1 34a_100000750430_100000721315 [0,1,0,1,0,0|2,0,0]=4 2160 B13R1.28 NCCCOCCc1ccccc1 34a_100000182051_100000765856 [0,1,0,1,0,0|2,0,0]=4 2161 B13R1.28 NCCOCCCc1ccccc1 34a_100000210304_100000211621 [0,1,0,1,0,0|2,0,0]=4 2162 B13R1.28 OCCCCCNc1ccccc1 34a_100000106764_100000746330 [0,1,0,1,0,0|2,0,0]=4 2163 B13R1.28 OCCCCCOc1ccccc1 34a_100000210340_100000746330 [0,1,0,1,0,0|2,0,0]=4 2164 B13R1.28 OCCCCCOc1ccccc1 7a_100000210340_100000746330 [0,1,0,1,0,0|2,0,0]=4 2165 B13R1.28 OCCCCCSc1ccccc1 62a_100000719477_100000746330 [0,1,0,1,0,0|2,0,0]=4 2166 B13R1.28 OCCCCCSc1ccccc1 62a_100000746330_100000041952 [0,1,0,1,0,0|2,0,0]=4 2167 B13R1.28 OCCCCCSc1ccccn1 62a_100000746330_100011216584 [0,1,0,1,0,0|2,0,0]=4 2168 B13R1.28 OCCCCCSc1ccccn1 62a_100011216584_100000746330 [0,1,0,1,0,0|2,0,0]=4 2169 B13R1.28 OCCCCNCc1ccccc1 207a_100000750430_100015611070 [0,1,0,1,0,0|2,0,0]=4 2170 B13R1.28 OCCCCNCc1ccccc1 2230a_100000750430_100015291786 [0,1,0,1,0,0|2,0,0]=4 2171 B13R1.28 OCCCCNCc1ccccc1 2230a_100015324214_100000210776 [0,1,0,1,0,0|2,0,0]=4 2172 B13R1.28 OCCCCNCc1ccccc1 270004a_100000750430_100015611070 [0,1,0,1,0,0|2,0,0]=4 2173 B13R1.28 OCCCCNCc1ccccc1 34a_100000750430_100015291786 [0,1,0,1,0,0|2,0,0]=4 2174 B13R1.28 OCCCCNCc1ccccc1 34a_100015324214_100011216708 [0,1,0,1,0,0|2,0,0]=4 2175 B13R1.28 OCCCCNCc1ccccn1 207a_100000750430_100000209966 [0,1,0,1,0,0|2,0,0]=4 2176 B13R1.28 OCCCCNCc1ccccn1 2230a_100000750430_100000721315 [0,1,0,1,0,0|2,0,0]=4 2177 B13R1.28 OCCCCNCc1ccccn1 270004a_100000750430_100000209966 [0,1,0,1,0,0|2,0,0]=4 2178 B13R1.28 OCCCCNCc1ccccn1 34a_100000750430_100000721315 [0,1,0,1,0,0|2,0,0]=4 2179 B13R1.28 OCCCCOCc1ccccc1 34a_100000210790_100011216708 [0,1,0,1,0,0|2,0,0]=4 2180 B13R1.28 OCCCCOCc1ccccc1 7a_100000210790_100000210776 [0,1,0,1,0,0|2,0,0]=4 2181 B13R1.28 OCCCCSCc1ccccc1 62a_100000210776_100015291786 [0,1,0,1,0,0|2,0,0]=4 2182 B13R1.28 OCCCCSCc1ccccc1 62a_100000211182_100000210776 [0,1,0,1,0,0|2,0,0]=4 2183 B13R1.28 OCCCCSCc1ccccn1 62a_100000210776_100000721315 [0,1,0,1,0,0|2,0,0]=4 2184 B13R1.28 OCCCCSCc1ccccn1 62a_100000721315_100000210776 [0,1,0,1,0,0|2,0,0]=4 2185 B13R1.28 OCCCNCCc1ccccc1 2230a_100000106460_100000230001 [0,1,0,1,0,0|2,0,0]=4 2186 B13R1.28 OCCCNCCc1ccccc1 34a_100000106460_100000230001 [0,1,0,1,0,0|2,0,0]=4 2187 B13R1.28 OCCCOCCc1ccccc1 34a_100000210268_100000230001 [0,1,0,1,0,0|2,0,0]=4 2188 B13R1.28 OCCCOCCc1ccccc1 7a_100000210268_100011215043 [0,1,0,1,0,0|2,0,0]=4 2189 B13R1.28 OCCCOCCc1ccccn1 34a_100000210271_100000230001 [0,1,0,1,0,0|2,0,0]=4 2190 B13R1.28 OCCCSCCc1ccccc1 62a_100000765856_100011215043 [0,1,0,1,0,0|2,0,0]=4 2191 B13R1.28 OCCCSCCc1ccccc1 62a_100011215043_100011218657 [0,1,0,1,0,0|2,0,0]=4 2192 B13R1.28 OCCCSCCc1ccccn1 62a_100011215043_100015183660 [0,1,0,1,0,0|2,0,0]=4 2193 B13R1.28 OCCCSCCc1ccccn1 62a_100015183660_100011215043 [0,1,0,1,0,0|2,0,0]=4 2194 B13R1.28 OCCNCCCc1ccccc1 2230a_100000211184_100000211926 [0,1,0,1,0,0|2,0,0]=4 2195 B13R1.28 OCCNCCCc1ccccc1 2230a_100016997473_100000211621 [0,1,0,1,0,0|2,0,0]=4 2196 B13R1.28 OCCNCCCc1ccccc1 34a_100000211184_100000211926 [0,1,0,1,0,0|2,0,0]=4 2197 B13R1.28 OCCNCCCc1ccccc1 34a_100016990907_100000211621 [0,1,0,1,0,0|2,0,0]=4 2198 B13R1.28 OCCOCCCc1ccccc1 34a_100000210828_100000211926 [0,1,0,1,0,0|2,0,0]=4 2199 B13R1.28 OCCOCCCc1ccccc1 7a_100000210828_100000211926 [0,1,0,1,0,0|2,0,0]=4 2200 B13R1.28 OCCOCCCc1ccccn1 34a_100011215068_100000211926 [0,1,0,1,0,0|2,0,0]=4 2201 B13R1.28 OCCSCCCc1ccccc1 62a_100000211621_100000211926 [0,1,0,1,0,0|2,0,0]=4 2202 B13R1.28 OCCSCCCc1ccccc1 62a_100000211926_100000211621 [0,1,0,1,0,0|2,0,0]=4 2203 B13R1.28 [13CH3]NCCCCCc1ccccc1 2230a_100000750932_200025704644 [0,1,0,1,0,0|1,0,0]=3 2204 B13R1.28 [13CH3]NCCCCCc1ccccc1 34a_100000750932_200025704644 [0,1,0,1,0,0|1,0,0]=3 2205 B13R1.28 [13CH3]NCCCOCc1ccccc1 2230a_200000206031_200025704644 [0,1,0,1,0,0|2,0,0]=4 2206 B13R1.28 [13CH3]NCCCOCc1ccccc1 34a_200000206031_200025704644 [0,1,0,1,0,0|2,0,0]=4 2207 B13R1.28 [13CH3]OCCCCCc1ccccc1 34a_200011219639_200025704644 [0,1,0,1,0,0|1,0,0]=3 2208 B13R1.28 [13CH3]OCCCCCc1ccccc1 7a_200011219639_200025704644 [0,1,0,1,0,0|1,0,0]=3 2209 B13R1.28 [13CH3]OCCCCOc1ccccc1 34a_100000752354_200025704644 [0,1,0,1,0,0|2,0,0]=4 2210 B13R1.28 [13CH3]OCCCCOc1ccccc1 7a_100000752354_200025704644 [0,1,0,1,0,0|2,0,0]=4 2211 B13R1.28 [13CH3]OCCCNCc1ccccc1 34a_100000185501_200025704644 [0,1,0,1,0,0|2,0,0]=4 2212 B13R1.28 [13CH3]OCCCOCc1ccccc1 34a_100000691849_200025704644 [0,1,0,1,0,0|2,0,0]=4 2213 B13R1.28 [13CH3]OCCCOCc1ccccc1 7a_100000691849_200025704644 [0,1,0,1,0,0|2,0,0]=4 2214 B13R1.28 [13CH3]OCCSCCc1ccccn1 34a_100011362645_200025704644 [0,1,0,1,0,0|2,0,0]=4 2215 B13R1.28 [13CH3]OCCSCCc1ccccn1 7a_100011362645_200025704644 [0,1,0,1,0,0|2,0,0]=4 2216 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200011217138_200025704644 [0,1,0,1,0,0|1,0,0]=3 2217 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200025704644_200011217138 [0,1,0,1,0,0|1,0,0]=3 2218 B13R1.28 [13CH3]SCCCCOc1ccccc1 62a_100011215240_200025704644 [0,1,0,1,0,0|2,0,0]=4 2219 B13R1.28 [13CH3]SCCCCOc1ccccc1 62a_200025704644_100011215240 [0,1,0,1,0,0|2,0,0]=4 2220 B13R1.28 [13CH3]SCCCOCc1ccccc1 62a_100011215529_200025704644 [0,1,0,1,0,0|2,0,0]=4 2221 B13R1.28 [13CH3]SCCCOCc1ccccc1 62a_200025704644_100011215529 [0,1,0,1,0,0|2,0,0]=4 2222 B13R1.34 CCCCOc1cccccc1=O 34a_100000036025_100000210210 [0,1,0,1,0,0|0,0,2]=4 2223 B13R1.34 CCCCOc1cccccc1=O 7a_100000036025_100000210211 [0,1,0,1,0,0|0,0,2]=4 2224 B13R1.84 CCCCSc1ccccc1C=O 62a_100000210073_100000210210 [0,1,0,1,0,0|0,0,2]=4 2225 B13R1.84 CCCCSc1ccccc1C=O 62a_100000210211_100000210073 [0,1,0,1,0,0|0,0,2]=4 2226 B13R1.84 CCCCSc1cccnc1C=O 62a_100000210211_100011934733 [0,1,0,1,0,0|1,0,1]=4 2227 B13R1.84 CCCCSc1cccnc1C=O 62a_100011934733_100000210210 [0,1,0,1,0,0|1,0,1]=4 2228 B13R1.84 CCCCSc1ccncc1C=O 62a_100000050567_100000210210 [0,1,0,1,0,0|1,0,1]=4 2229 B13R1.84 CCCCSc1ccncc1C=O 62a_100000210211_100000050567 [0,1,0,1,0,0|1,0,1]=4 2230 B13R1.84 CCCCSc1cnccc1C=O 62a_100000210211_100011934409 [0,1,0,1,0,0|1,0,1]=4 2231 B13R1.84 CCCCSc1cnccc1C=O 62a_100011934409_100000210210 [0,1,0,1,0,0|1,0,1]=4 2232 B13R1.84 CCCCSc1ncccc1C=O 62a_100000210211_100009816751 [0,1,0,1,0,0|1,0,1]=4 2233 B13R1.84 CCCCSc1ncccc1C=O 62a_100009816751_100000210210 [0,1,0,1,0,0|1,0,1]=4 2234 B13R1.84 CCCOCc1ccccc1C=O 34a_100000210258_200009853537 [0,1,0,1,0,0|0,0,2]=4 2235 B13R1.84 CCCSCc1ccccc1C=O 62a_100000210303_200009853537 [0,1,0,1,0,0|0,0,2]=4 2236 B13R1.84 CCCSCc1ccccc1C=O 62a_200009853537_100000210303 [0,1,0,1,0,0|0,0,2]=4 2237 B13R1.84 CCNCCc1ccccc1C=O 2230a_100015525214_100010186698 [0,1,0,1,0,0|0,0,2]=4 2238 B13R1.84 CCOCCc1ccccc1C=O 34a_100121572206_100010186698 [0,1,0,1,0,0|0,0,2]=4 2239 B13R1.84 CCSCCc1ccccc1C=O 62a_100000210202_100010186698 [0,1,0,1,0,0|0,0,2]=4 2240 B13R1.84 CCSCCc1ccccc1C=O 62a_100010186698_100000210202 [0,1,0,1,0,0|0,0,2]=4 2241 B13R1.137 C=Cc1sccc1CCCCCC 271570a_100011290941_100009817158 [0,1,0,1,0,0|1,0,0]=3 2242 B13R1.137 CCCCC=Cc1ccoc1C=O 271570a_100016275911_100000756499 [0,1,0,1,0,0|0,0,2]=4 2243 B13R1.137 CCCCC=Cc1ccsc1C=O 271570a_100016275911_100000766043 [0,1,0,1,0,0|0,0,2]=4 2244 B13R1.137 CCCCC=Cc1cscc1C=O 271570a_100016275911_100000685484 [0,1,0,1,0,0|0,0,2]=4 2245 B13R1.137 CCCCC=Cc1sccc1C=O 271570a_100016275911_100009816921 [0,1,0,1,0,0|0,0,2]=4 2246 B13R1.137 CCCCCCc1ccsc1SC 62a_100009817158_200000210301 [0,1,0,1,0,0|1,1,0]=4 2247 B13R1.137 CCCCCCc1ccsc1SC 62a_200000210301_100009817158 [0,1,0,1,0,0|1,1,0]=4 2248 B13R1.137 CCCCCCc1ccsc1S[13CH3] 62a_100009817158_200025704644 [0,1,0,1,0,0|1,1,0]=4 2249 B13R1.137 CCCCCCc1ccsc1S[13CH3] 62a_200025704644_100009817158 [0,1,0,1,0,0|1,1,0]=4 2250 B13R1.137 CCCCCSc1[nH]cnc1C=O 62a_100000210326_100015192532 [0,1,0,1,0,0|2,0,0]=4 2251 B13R1.137 CCCCCSc1[nH]cnc1C=O 62a_100015192532_100000210326 [0,1,0,1,0,0|2,0,0]=4 2252 B13R1.137 CCCCCSc1ccoc1C=O 62a_100000210326_100000756499 [0,1,0,1,0,0|1,0,0]=3 2253 B13R1.137 CCCCCSc1ccoc1C=O 62a_100000756499_100000210326 [0,1,0,1,0,0|1,0,0]=3 2254 B13R1.137 CCCCCSc1ccsc1C=O 62a_100000210326_100000766043 [0,1,0,1,0,0|1,0,0]=3 2255 B13R1.137 CCCCCSc1ccsc1C=O 62a_100000766043_100000210326 [0,1,0,1,0,0|1,0,0]=3 2256 B13R1.137 CCCCCSc1cn[nH]c1C=O 62a_100000210326_100000732679 [0,1,0,1,0,0|2,0,0]=4 2257 B13R1.137 CCCCCSc1cn[nH]c1C=O 62a_100000732679_100000210326 [0,1,0,1,0,0|2,0,0]=4 2258 B13R1.137 CCCCCSc1cscc1C=O 62a_100000210326_100000685484 [0,1,0,1,0,0|1,0,0]=3 2259 B13R1.137 CCCCCSc1cscc1C=O 62a_100000685484_100000210326 [0,1,0,1,0,0|1,0,0]=3 2260 B13R1.137 CCCCCSc1sccc1C=O 62a_100000210326_100009816921 [0,1,0,1,0,0|1,0,0]=3 2261 B13R1.137 CCCCCSc1sccc1C=O 62a_100009816921_100000210326 [0,1,0,1,0,0|1,0,0]=3 2262 B13R1.137 CCOCCSc1ccoc1C=O 62a_100000210147_100000756499 [0,1,0,1,0,0|2,0,0]=4 2263 B13R1.137 CCOCCSc1ccoc1C=O 62a_100000756499_100011215890 [0,1,0,1,0,0|2,0,0]=4 2264 B13R1.137 CCOCCSc1ccsc1C=O 62a_100000210147_100000766043 [0,1,0,1,0,0|2,0,0]=4 2265 B13R1.137 CCOCCSc1ccsc1C=O 62a_100000766043_100011215890 [0,1,0,1,0,0|2,0,0]=4 2266 B13R1.137 CCOCCSc1cscc1C=O 62a_100000210147_100000685484 [0,1,0,1,0,0|2,0,0]=4 2267 B13R1.137 CCOCCSc1cscc1C=O 62a_100000685484_100011215890 [0,1,0,1,0,0|2,0,0]=4 2268 B13R1.137 CCOCCSc1sccc1C=O 62a_100000210147_100009816921 [0,1,0,1,0,0|2,0,0]=4 2269 B13R1.137 CCOCCSc1sccc1C=O 62a_100009816921_100011215890 [0,1,0,1,0,0|2,0,0]=4 2270 B13R1.137 CCSCCSc1ccoc1C=O 62a_100000756499_100000757381 [0,1,0,1,0,0|2,0,0]=4 2271 B13R1.137 CCSCCSc1ccoc1C=O 62a_100000757381_100000756499 [0,1,0,1,0,0|2,0,0]=4 2272 B13R1.137 CCSCCSc1ccsc1C=O 62a_100000757381_100000766043 [0,1,0,1,0,0|2,0,0]=4 2273 B13R1.137 CCSCCSc1ccsc1C=O 62a_100000766043_100000757381 [0,1,0,1,0,0|2,0,0]=4 2274 B13R1.137 CCSCCSc1cscc1C=O 62a_100000685484_100000757381 [0,1,0,1,0,0|2,0,0]=4 2275 B13R1.137 CCSCCSc1cscc1C=O 62a_100000757381_100000685484 [0,1,0,1,0,0|2,0,0]=4 2276 B13R1.137 CCSCCSc1sccc1C=O 62a_100000757381_100009816921 [0,1,0,1,0,0|2,0,0]=4 2277 B13R1.137 CCSCCSc1sccc1C=O 62a_100009816921_100000757381 [0,1,0,1,0,0|2,0,0]=4 2278 B13R1.137 COCCCSc1ccoc1C=O 62a_100000709357_100000756499 [0,1,0,1,0,0|2,0,0]=4 2279 B13R1.137 COCCCSc1ccoc1C=O 62a_100000756499_100000709357 [0,1,0,1,0,0|2,0,0]=4 2280 B13R1.137 COCCCSc1ccsc1C=O 62a_100000709357_100000766043 [0,1,0,1,0,0|2,0,0]=4 2281 B13R1.137 COCCCSc1ccsc1C=O 62a_100000766043_100000709357 [0,1,0,1,0,0|2,0,0]=4 2282 B13R1.137 COCCCSc1cscc1C=O 62a_100000685484_100000709357 [0,1,0,1,0,0|2,0,0]=4 2283 B13R1.137 COCCCSc1cscc1C=O 62a_100000709357_100000685484 [0,1,0,1,0,0|2,0,0]=4 2284 B13R1.137 COCCCSc1sccc1C=O 62a_100000709357_100009816921 [0,1,0,1,0,0|2,0,0]=4 2285 B13R1.137 COCCCSc1sccc1C=O 62a_100009816921_100000709357 [0,1,0,1,0,0|2,0,0]=4 2286 B13R1.137 O=Cc1ccsc1SCCCCF 62a_100000729493_100009816921 [0,1,0,1,0,0|2,0,0]=4 2287 B13R1.137 O=Cc1ccsc1SCCCCF 62a_100009816921_100000729493 [0,1,0,1,0,0|2,0,0]=4 2288 B13R1.137 O=Cc1ccsc1SCCCCO 62a_100000210776_100009816921 [0,1,0,1,0,0|2,0,0]=4 2289 B13R1.137 O=Cc1ccsc1SCCCCO 62a_100009816921_100000210776 [0,1,0,1,0,0|2,0,0]=4 2290 B13R1.137 O=Cc1cscc1SCCCCF 62a_100000685484_100000729493 [0,1,0,1,0,0|2,0,0]=4 2291 B13R1.137 O=Cc1cscc1SCCCCF 62a_100000729493_100000685484 [0,1,0,1,0,0|2,0,0]=4 2292 B13R1.137 O=Cc1cscc1SCCCCO 62a_100000210776_100000685484 [0,1,0,1,0,0|2,0,0]=4 2293 B13R1.137 O=Cc1cscc1SCCCCO 62a_100000685484_100000210776 [0,1,0,1,0,0|2,0,0]=4 2294 B13R1.137 O=Cc1occc1SCCCCF 62a_100000729493_100000756499 [0,1,0,1,0,0|2,0,0]=4 2295 B13R1.137 O=Cc1occc1SCCCCF 62a_100000756499_100000729493 [0,1,0,1,0,0|2,0,0]=4 2296 B13R1.137 O=Cc1occc1SCCCCO 62a_100000210776_100000756499 [0,1,0,1,0,0|2,0,0]=4 2297 B13R1.137 O=Cc1occc1SCCCCO 62a_100000756499_100000210776 [0,1,0,1,0,0|2,0,0]=4 2298 B13R1.137 O=Cc1sccc1SCCCCF 62a_100000729493_100000766043 [0,1,0,1,0,0|2,0,0]=4 2299 B13R1.137 O=Cc1sccc1SCCCCF 62a_100000766043_100000729493 [0,1,0,1,0,0|2,0,0]=4 2300 B13R1.137 O=Cc1sccc1SCCCCO 62a_100000210776_100000766043 [0,1,0,1,0,0|2,0,0]=4 2301 B13R1.137 O=Cc1sccc1SCCCCO 62a_100000766043_100000210776 [0,1,0,1,0,0|2,0,0]=4 2302 B13R1.555 CCCCC=Cc1c[nH]ccc1=O 271570a_100016275911_100009998708 [0,1,0,1,0,0|0,0,2]=4 2303 B13R1.555 CCCCC=Cc1ccc[nH]c1=O 271570a_100016275911_100000050042 [0,1,0,1,0,0|0,0,2]=4 2304 B13R1.555 CCCCCCc1ncncc1O 271570a_203496583355_200009816993 [0,1,0,1,0,0|1,0,1]=4 2305 B13R1.555 CCCCCNc1ccccc1Br 34a_100000210017_100000718602 [0,1,0,1,0,0|1,0,1]=4 2306 B13R1.555 CCCCCNc1ccccc1C 34a_100015192222_100000718602 [0,1,0,1,0,0|1,0,1]=4 2307 B13R1.555 CCCCCNc1ccccc1Cl 34a_100000185783_100000718602 [0,1,0,1,0,0|1,0,1]=4 2308 B13R1.555 CCCCCNc1ccccc1F 34a_100000210422_100000718602 [0,1,0,1,0,0|1,0,1]=4 2309 B13R1.555 CCCCCNc1ccccc1I 34a_100000210053_100000718602 [0,1,0,1,0,0|1,0,1]=4 2310 B13R1.555 CCCCCNc1ccccc1O 34a_100000185747_100000718602 [0,1,0,1,0,0|0,0,2]=4 2311 B13R1.555 CCCCCNc1ccn[nH]c1=O 27a_100000209983_100000087129 [0,1,0,1,0,0|2,0,0]=4 2312 B13R1.555 CCCCCNc1ccncc1Br 27a_100000209983_100000726257 [0,1,0,1,0,0|2,0,0]=4 2313 B13R1.555 CCCCCNc1ccncc1C 27a_100000209983_100000765111 [0,1,0,1,0,0|2,0,0]=4 2314 B13R1.555 CCCCCNc1ccncc1F 27a_100000209983_100000035921 [0,1,0,1,0,0|2,0,0]=4 2315 B13R1.555 CCCCCNc1ncccc1Br 27a_100000209983_100000696092 [0,1,0,1,0,0|2,0,0]=4 2316 B13R1.555 CCCCCOc1cccc[n+]1[O-] 7a_100000211761_100000210326 [0,1,0,1,0,0|1,0,1]=4 2317 B13R1.555 CCCCCOc1ccccc1Br 34a_100000181306_100000718602 [0,1,0,1,0,0|1,0,1]=4 2318 B13R1.555 CCCCCOc1ccccc1Br 7a_100000181306_100000210326 [0,1,0,1,0,0|1,0,1]=4 2319 B13R1.555 CCCCCOc1ccccc1C 34a_100000210338_100000718602 [0,1,0,1,0,0|1,0,1]=4 2320 B13R1.555 CCCCCOc1ccccc1C 7a_100000210338_100000210326 [0,1,0,1,0,0|1,0,1]=4 2321 B13R1.555 CCCCCOc1ccccc1Cl 34a_100000210172_100000718602 [0,1,0,1,0,0|1,0,1]=4 2322 B13R1.555 CCCCCOc1ccccc1Cl 7a_100000210172_100000210326 [0,1,0,1,0,0|1,0,1]=4 2323 B13R1.555 CCCCCOc1ccccc1F 34a_100000210171_100000718602 [0,1,0,1,0,0|1,0,1]=4 2324 B13R1.555 CCCCCOc1ccccc1F 7a_100000210171_100000210326 [0,1,0,1,0,0|1,0,1]=4 2325 B13R1.555 CCCCCOc1ccccc1I 34a_100000739446_100000718602 [0,1,0,1,0,0|1,0,1]=4 2326 B13R1.555 CCCCCOc1ccccc1I 7a_100000739446_100000210326 [0,1,0,1,0,0|1,0,1]=4 2327 B13R1.555 CCCCCOc1ccccc1N 34a_100000185747_100000718602 [0,1,0,1,0,0|1,0,1]=4 2328 B13R1.555 CCCCCOc1ccccc1N 7a_100000185747_100000210326 [0,1,0,1,0,0|1,0,1]=4 2329 B13R1.555 CCCCCOc1cccnc1Br 34a_100000744436_100000718602 [0,1,0,1,0,0|2,0,0]=4 2330 B13R1.555 CCCCCOc1cccnc1Br 7a_100000744436_100000210326 [0,1,0,1,0,0|2,0,0]=4 2331 B13R1.555 CCCCCOc1cccnc1C 34a_100000745507_100000718602 [0,1,0,1,0,0|2,0,0]=4 2332 B13R1.555 CCCCCOc1cccnc1C 7a_100000745507_100000210326 [0,1,0,1,0,0|2,0,0]=4 2333 B13R1.555 CCCCCOc1cccnc1Cl 34a_100000757616_100000718602 [0,1,0,1,0,0|2,0,0]=4 2334 B13R1.555 CCCCCOc1cccnc1Cl 7a_100000757616_100000210326 [0,1,0,1,0,0|2,0,0]=4 2335 B13R1.555 CCCCCOc1cccnc1F 34a_100000061740_100000718602 [0,1,0,1,0,0|2,0,0]=4 2336 B13R1.555 CCCCCOc1cccnc1F 7a_100000061740_100000210326 [0,1,0,1,0,0|2,0,0]=4 2337 B13R1.555 CCCCCOc1cccnc1I 34a_100000034122_100000718602 [0,1,0,1,0,0|2,0,0]=4 2338 B13R1.555 CCCCCOc1cccnc1I 7a_100000034122_100000210326 [0,1,0,1,0,0|2,0,0]=4 2339 B13R1.555 CCCCCOc1cccnc1N 34a_100000211975_100000718602 [0,1,0,1,0,0|2,0,0]=4 2340 B13R1.555 CCCCCOc1cccnc1N 7a_100000211975_100000210326 [0,1,0,1,0,0|2,0,0]=4 2341 B13R1.555 CCCCCOc1cccoc1=O 34a_100000077404_100000718602 [0,1,0,1,0,0|1,0,0]=3 2342 B13R1.555 CCCCCOc1cccoc1=O 7a_100000077404_100000210326 [0,1,0,1,0,0|1,0,0]=3 2343 B13R1.555 CCCCCOc1ccncc1Br 34a_100011996408_100000718602 [0,1,0,1,0,0|2,0,0]=4 2344 B13R1.555 CCCCCOc1ccncc1C 34a_100000694293_100000718602 [0,1,0,1,0,0|2,0,0]=4 2345 B13R1.555 CCCCCOc1ccncc1Cl 34a_100011997054_100000718602 [0,1,0,1,0,0|2,0,0]=4 2346 B13R1.555 CCCCCOc1ccncc1F 34a_200000081243_100000718602 [0,1,0,1,0,0|2,0,0]=4 2347 B13R1.555 CCCCCOc1cnccc1C 34a_100011997053_100000718602 [0,1,0,1,0,0|2,0,0]=4 2348 B13R1.555 CCCCCOc1cnccc1C 7a_100011997053_100000210326 [0,1,0,1,0,0|2,0,0]=4 2349 B13R1.555 CCCCCOc1cnccc1Cl 34a_100011996695_100000718602 [0,1,0,1,0,0|2,0,0]=4 2350 B13R1.555 CCCCCOc1cnccc1I 34a_100000050107_100000718602 [0,1,0,1,0,0|2,0,0]=4 2351 B13R1.555 CCCCCOc1cnccc1N 34a_100000753702_100000718602 [0,1,0,1,0,0|2,0,0]=4 2352 B13R1.555 CCCCCOc1coccc1=O 34a_100000060831_100000718602 [0,1,0,1,0,0|1,0,0]=3 2353 B13R1.555 CCCCCOc1ncccc1Cl 34a_100011290957_100000718602 [0,1,0,1,0,0|2,0,0]=4 2354 B13R1.555 CCCCCOc1ncccc1F 34a_100011219419_100000718602 [0,1,0,1,0,0|2,0,0]=4 2355 B13R1.555 CCCCCOc1ncccc1N 34a_100000746358_100000718602 [0,1,0,1,0,0|2,0,0]=4 2356 B13R1.555 CCCCCSc1c[nH]ccc1=O 62a_100000210326_100009998708 [0,1,0,1,0,0|1,0,0]=3 2357 B13R1.555 CCCCCSc1c[nH]ccc1=O 62a_100009998708_100000210326 [0,1,0,1,0,0|1,0,0]=3 2358 B13R1.555 CCCCCSc1c[nH]ccc1=S 62a_100000210326_200012280681 [0,1,0,1,0,0|1,1,0]=4 2359 B13R1.555 CCCCCSc1c[nH]ccc1=S 62a_200012280681_100000210326 [0,1,0,1,0,0|1,1,0]=4 2360 B13R1.555 CCCCCSc1cccc[n+]1C 62a_100000210326_100000212160 [0,1,0,1,0,0|2,0,0]=4 2361 B13R1.555 CCCCCSc1cccc[n+]1[O-] 62a_100000210326_200000042595 [0,1,0,1,0,0|1,0,1]=4 2362 B13R1.555 CCCCCSc1ccccc1Br 62a_100000210326_100000695589 [0,1,0,1,0,0|1,0,1]=4 2363 B13R1.555 CCCCCSc1ccccc1Br 62a_100000695589_100000210326 [0,1,0,1,0,0|1,0,1]=4 2364 B13R1.555 CCCCCSc1ccccc1C 62a_100000210326_100000210755 [0,1,0,1,0,0|1,0,1]=4 2365 B13R1.555 CCCCCSc1ccccc1C 62a_100000210755_100000210326 [0,1,0,1,0,0|1,0,1]=4 2366 B13R1.555 CCCCCSc1ccccc1Cl 62a_100000210326_100000764095 [0,1,0,1,0,0|1,0,1]=4 2367 B13R1.555 CCCCCSc1ccccc1Cl 62a_100000764095_100000210326 [0,1,0,1,0,0|1,0,1]=4 2368 B13R1.555 CCCCCSc1ccccc1F 62a_100000210326_100011215700 [0,1,0,1,0,0|1,0,1]=4 2369 B13R1.555 CCCCCSc1ccccc1F 62a_100011215700_100000210326 [0,1,0,1,0,0|1,0,1]=4 2370 B13R1.555 CCCCCSc1ccccc1N 62a_100000210017_100000210326 [0,1,0,1,0,0|1,0,1]=4 2371 B13R1.555 CCCCCSc1ccccc1N 62a_100000210326_100000210017 [0,1,0,1,0,0|1,0,1]=4 2372 B13R1.555 CCCCCSc1ccccc1O 62a_100000210326_100000739446 [0,1,0,1,0,0|0,0,2]=4 2373 B13R1.555 CCCCCSc1ccccc1O 62a_100000739446_100000210326 [0,1,0,1,0,0|0,0,2]=4 2374 B13R1.555 CCCCCSc1cccnc1Br 62a_100000210326_100010202626 [0,1,0,1,0,0|2,0,0]=4 2375 B13R1.555 CCCCCSc1cccnc1Br 62a_100010202626_100000210326 [0,1,0,1,0,0|2,0,0]=4 2376 B13R1.555 CCCCCSc1cccnc1C 62a_100000210326_100000751574 [0,1,0,1,0,0|2,0,0]=4 2377 B13R1.555 CCCCCSc1cccnc1C 62a_100000751574_100000210326 [0,1,0,1,0,0|2,0,0]=4 2378 B13R1.555 CCCCCSc1cccnc1Cl 62a_100000036424_100000210326 [0,1,0,1,0,0|2,0,0]=4 2379 B13R1.555 CCCCCSc1cccnc1Cl 62a_100000210326_100000036424 [0,1,0,1,0,0|2,0,0]=4 2380 B13R1.555 CCCCCSc1cccnc1F 62a_100000210326_100009816115 [0,1,0,1,0,0|2,0,0]=4 2381 B13R1.555 CCCCCSc1cccnc1F 62a_100009816115_100000210326 [0,1,0,1,0,0|2,0,0]=4 2382 B13R1.555 CCCCCSc1cccnc1N 62a_100000045569_100000210326 [0,1,0,1,0,0|2,0,0]=4 2383 B13R1.555 CCCCCSc1cccnc1N 62a_100000210326_100000045569 [0,1,0,1,0,0|2,0,0]=4 2384 B13R1.555 CCCCCSc1cccnc1O 62a_100000210326_100000760158 [0,1,0,1,0,0|1,0,1]=4 2385 B13R1.555 CCCCCSc1cccnc1O 62a_100000760158_100000210326 [0,1,0,1,0,0|1,0,1]=4 2386 B13R1.555 CCCCCSc1ccn[nH]c1=O 62a_100000210326_100000087129 [0,1,0,1,0,0|2,0,0]=4 2387 B13R1.555 CCCCCSc1ccncc1Br 62a_100000210326_100000726257 [0,1,0,1,0,0|2,0,0]=4 2388 B13R1.555 CCCCCSc1ccncc1Br 62a_100000726257_100000210326 [0,1,0,1,0,0|2,0,0]=4 2389 B13R1.555 CCCCCSc1ccncc1C 62a_100000210326_100000765111 [0,1,0,1,0,0|2,0,0]=4 2390 B13R1.555 CCCCCSc1ccncc1C 62a_100000765111_100000210326 [0,1,0,1,0,0|2,0,0]=4 2391 B13R1.555 CCCCCSc1ccncc1Cl 62a_100000210326_100000708259 [0,1,0,1,0,0|2,0,0]=4 2392 B13R1.555 CCCCCSc1ccncc1Cl 62a_100000708259_100000210326 [0,1,0,1,0,0|2,0,0]=4 2393 B13R1.555 CCCCCSc1ccncc1F 62a_100000047030_100000210326 [0,1,0,1,0,0|2,0,0]=4 2394 B13R1.555 CCCCCSc1ccncc1F 62a_100000210326_100000047030 [0,1,0,1,0,0|2,0,0]=4 2395 B13R1.555 CCCCCSc1ccncc1N 62a_100000210326_100000756074 [0,1,0,1,0,0|2,0,0]=4 2396 B13R1.555 CCCCCSc1ccncc1N 62a_100000756074_100000210326 [0,1,0,1,0,0|2,0,0]=4 2397 B13R1.555 CCCCCSc1ccncc1O 62a_100000210326_100009817591 [0,1,0,1,0,0|1,0,1]=4 2398 B13R1.555 CCCCCSc1ccncc1O 62a_100009817591_100000210326 [0,1,0,1,0,0|1,0,1]=4 2399 B13R1.555 CCCCCSc1cnccc1Br 62a_100000210326_100010138639 [0,1,0,1,0,0|2,0,0]=4 2400 B13R1.555 CCCCCSc1cnccc1Br 62a_100010138639_100000210326 [0,1,0,1,0,0|2,0,0]=4 2401 B13R1.555 CCCCCSc1cnccc1C 62a_100000210326_100000761580 [0,1,0,1,0,0|2,0,0]=4 2402 B13R1.555 CCCCCSc1cnccc1C 62a_100000761580_100000210326 [0,1,0,1,0,0|2,0,0]=4 2403 B13R1.555 CCCCCSc1cnccc1Cl 62a_100000210326_100009995489 [0,1,0,1,0,0|2,0,0]=4 2404 B13R1.555 CCCCCSc1cnccc1Cl 62a_100009995489_100000210326 [0,1,0,1,0,0|2,0,0]=4 2405 B13R1.555 CCCCCSc1cnccc1F 62a_100000210326_100009820683 [0,1,0,1,0,0|2,0,0]=4 2406 B13R1.555 CCCCCSc1cnccc1F 62a_100009820683_100000210326 [0,1,0,1,0,0|2,0,0]=4 2407 B13R1.555 CCCCCSc1cnccc1N 62a_100000047001_100000210326 [0,1,0,1,0,0|2,0,0]=4 2408 B13R1.555 CCCCCSc1cnccc1N 62a_100000210326_100000047001 [0,1,0,1,0,0|2,0,0]=4 2409 B13R1.555 CCCCCSc1ncc[nH]c1=O 62a_100000210326_100000763361 [0,1,0,1,0,0|2,0,0]=4 2410 B13R1.555 CCCCCSc1ncccc1Br 62a_100000210326_100000696092 [0,1,0,1,0,0|2,0,0]=4 2411 B13R1.555 CCCCCSc1ncccc1Br 62a_100000696092_100000210326 [0,1,0,1,0,0|2,0,0]=4 2412 B13R1.555 CCCCCSc1ncccc1C 62a_100000210326_100000751373 [0,1,0,1,0,0|2,0,0]=4 2413 B13R1.555 CCCCCSc1ncccc1C 62a_100000751373_100000210326 [0,1,0,1,0,0|2,0,0]=4 2414 B13R1.555 CCCCCSc1ncccc1Cl 62a_100000210326_100011356963 [0,1,0,1,0,0|2,0,0]=4 2415 B13R1.555 CCCCCSc1ncccc1Cl 62a_100011356963_100000210326 [0,1,0,1,0,0|2,0,0]=4 2416 B13R1.555 CCCCCSc1ncccc1F 62a_100000210326_100000685392 [0,1,0,1,0,0|2,0,0]=4 2417 B13R1.555 CCCCCSc1ncccc1F 62a_100000685392_100000210326 [0,1,0,1,0,0|2,0,0]=4 2418 B13R1.555 CCCCCSc1ncccc1N 62a_100000210326_100000688686 [0,1,0,1,0,0|2,0,0]=4 2419 B13R1.555 CCCCCSc1ncccc1N 62a_100000688686_100000210326 [0,1,0,1,0,0|2,0,0]=4 2420 B13R1.555 CCCCCSc1ncccc1O 62a_100000034122_100000210326 [0,1,0,1,0,0|1,0,1]=4 2421 B13R1.555 CCCCCSc1ncccc1O 62a_100000210326_100000034122 [0,1,0,1,0,0|1,0,1]=4 2422 B13R1.555 CCCCNCc1ccccc1Br 207a_100000102301_100000211189 [0,1,0,1,0,0|1,0,1]=4 2423 B13R1.555 CCCCNCc1ccccc1Br 2230a_100000102301_100000184730 [0,1,0,1,0,0|1,0,1]=4 2424 B13R1.555 CCCCNCc1ccccc1Br 2230a_100000689332_100000210211 [0,1,0,1,0,0|1,0,1]=4 2425 B13R1.555 CCCCNCc1ccccc1Br 270004a_100000102301_100000211189 [0,1,0,1,0,0|1,0,1]=4 2426 B13R1.555 CCCCNCc1ccccc1Br 34a_100000689332_100000210210 [0,1,0,1,0,0|1,0,1]=4 2427 B13R1.555 CCCCNCc1ccccc1Br 7a_106832991798_100000184730 [0,1,0,1,0,0|1,0,1]=4 2428 B13R1.555 CCCCNCc1ccccc1C 207a_100000102301_100000211143 [0,1,0,1,0,0|1,0,1]=4 2429 B13R1.555 CCCCNCc1ccccc1C 2230a_100000102301_100000211839 [0,1,0,1,0,0|1,0,1]=4 2430 B13R1.555 CCCCNCc1ccccc1C 270004a_100000102301_100000211143 [0,1,0,1,0,0|1,0,1]=4 2431 B13R1.555 CCCCNCc1ccccc1C 34a_100000174972_100000210210 [0,1,0,1,0,0|1,0,1]=4 2432 B13R1.555 CCCCNCc1ccccc1C 7a_106832991798_100000211839 [0,1,0,1,0,0|1,0,1]=4 2433 B13R1.555 CCCCNCc1ccccc1Cl 207a_100000102301_100000210073 [0,1,0,1,0,0|1,0,1]=4 2434 B13R1.555 CCCCNCc1ccccc1Cl 2230a_100000102301_100000187162 [0,1,0,1,0,0|1,0,1]=4 2435 B13R1.555 CCCCNCc1ccccc1Cl 2230a_100000174879_100000210211 [0,1,0,1,0,0|1,0,1]=4 2436 B13R1.555 CCCCNCc1ccccc1Cl 270004a_100000102301_100000210073 [0,1,0,1,0,0|1,0,1]=4 2437 B13R1.555 CCCCNCc1ccccc1Cl 34a_100000174879_100000210210 [0,1,0,1,0,0|1,0,1]=4 2438 B13R1.555 CCCCNCc1ccccc1Cl 7a_106832991798_100000187162 [0,1,0,1,0,0|1,0,1]=4 2439 B13R1.555 CCCCNCc1ccccc1F 207a_100000102301_100000210811 [0,1,0,1,0,0|1,0,1]=4 2440 B13R1.555 CCCCNCc1ccccc1F 2230a_100000102301_100000211605 [0,1,0,1,0,0|1,0,1]=4 2441 B13R1.555 CCCCNCc1ccccc1F 270004a_100000102301_100000210811 [0,1,0,1,0,0|1,0,1]=4 2442 B13R1.555 CCCCNCc1ccccc1F 34a_100000174869_100000210210 [0,1,0,1,0,0|1,0,1]=4 2443 B13R1.555 CCCCNCc1ccccc1F 7a_106832991798_100000211605 [0,1,0,1,0,0|1,0,1]=4 2444 B13R1.555 CCCCNCc1ccccc1I 207a_100000102301_100000010305 [0,1,0,1,0,0|1,0,1]=4 2445 B13R1.555 CCCCNCc1ccccc1I 2230a_100000102301_100011215278 [0,1,0,1,0,0|1,0,1]=4 2446 B13R1.555 CCCCNCc1ccccc1I 270004a_100000102301_100000010305 [0,1,0,1,0,0|1,0,1]=4 2447 B13R1.555 CCCCNCc1ccccc1I 7a_106832991798_100011215278 [0,1,0,1,0,0|1,0,1]=4 2448 B13R1.555 CCCCNCc1ccccc1O 34a_100000185550_100000210210 [0,1,0,1,0,0|0,0,2]=4 2449 B13R1.555 CCCCNCc1cccnc1Br 2230a_100000102301_100010140945 [0,1,0,1,0,0|2,0,0]=4 2450 B13R1.555 CCCCNCc1cccnc1Br 2230a_100009818023_100000210211 [0,1,0,1,0,0|2,0,0]=4 2451 B13R1.555 CCCCNCc1cccnc1Br 34a_100009818023_100000210210 [0,1,0,1,0,0|2,0,0]=4 2452 B13R1.555 CCCCNCc1cccnc1Br 7a_106832991798_100010140945 [0,1,0,1,0,0|2,0,0]=4 2453 B13R1.555 CCCCNCc1cccnc1C 207a_100000102301_100000751968 [0,1,0,1,0,0|2,0,0]=4 2454 B13R1.555 CCCCNCc1cccnc1C 2230a_100000102301_100000732876 [0,1,0,1,0,0|2,0,0]=4 2455 B13R1.555 CCCCNCc1cccnc1C 270004a_100000102301_100000751968 [0,1,0,1,0,0|2,0,0]=4 2456 B13R1.555 CCCCNCc1cccnc1C 7a_106832991798_100000732876 [0,1,0,1,0,0|2,0,0]=4 2457 B13R1.555 CCCCNCc1cccnc1Cl 2230a_100000102301_100000045678 [0,1,0,1,0,0|2,0,0]=4 2458 B13R1.555 CCCCNCc1cccnc1Cl 2230a_100015189234_100000210211 [0,1,0,1,0,0|2,0,0]=4 2459 B13R1.555 CCCCNCc1cccnc1Cl 34a_100015189234_100000210210 [0,1,0,1,0,0|2,0,0]=4 2460 B13R1.555 CCCCNCc1cccnc1Cl 7a_106832991798_100000045678 [0,1,0,1,0,0|2,0,0]=4 2461 B13R1.555 CCCCNCc1cccnc1F 2230a_100000102301_100000099810 [0,1,0,1,0,0|2,0,0]=4 2462 B13R1.555 CCCCNCc1cccnc1F 34a_100000724633_100000210210 [0,1,0,1,0,0|2,0,0]=4 2463 B13R1.555 CCCCNCc1cccnc1F 7a_106832991798_100000099810 [0,1,0,1,0,0|2,0,0]=4 2464 B13R1.555 CCCCNCc1cccnc1O 207a_100000102301_100011998315 [0,1,0,1,0,0|1,0,1]=4 2465 B13R1.555 CCCCNCc1cccnc1O 270004a_100000102301_100011998315 [0,1,0,1,0,0|1,0,1]=4 2466 B13R1.555 CCCCNCc1ccncc1Br 270004a_100000102301_100000755692 [0,1,0,1,0,0|2,0,0]=4 2467 B13R1.555 CCCCNCc1ccncc1C 2230a_100000102301_100020672808 [0,1,0,1,0,0|2,0,0]=4 2468 B13R1.555 CCCCNCc1ccncc1C 7a_106832991798_100020672808 [0,1,0,1,0,0|2,0,0]=4 2469 B13R1.555 CCCCNCc1ccncc1Cl 207a_100000102301_100011934409 [0,1,0,1,0,0|2,0,0]=4 2470 B13R1.555 CCCCNCc1ccncc1Cl 2230a_100000102301_100000763264 [0,1,0,1,0,0|2,0,0]=4 2471 B13R1.555 CCCCNCc1ccncc1Cl 270004a_100000102301_100011934409 [0,1,0,1,0,0|2,0,0]=4 2472 B13R1.555 CCCCNCc1ccncc1Cl 7a_106832991798_100000763264 [0,1,0,1,0,0|2,0,0]=4 2473 B13R1.555 CCCCNCc1ccncc1F 34a_100011935246_100000210210 [0,1,0,1,0,0|2,0,0]=4 2474 B13R1.555 CCCCNCc1cnccc1Br 270004a_100000102301_100009816821 [0,1,0,1,0,0|2,0,0]=4 2475 B13R1.555 CCCCNCc1cnccc1C 207a_100000102301_100000685662 [0,1,0,1,0,0|2,0,0]=4 2476 B13R1.555 CCCCNCc1cnccc1C 2230a_100000102301_100000690890 [0,1,0,1,0,0|2,0,0]=4 2477 B13R1.555 CCCCNCc1cnccc1C 270004a_100000102301_100000685662 [0,1,0,1,0,0|2,0,0]=4 2478 B13R1.555 CCCCNCc1cnccc1C 7a_106832991798_100000690890 [0,1,0,1,0,0|2,0,0]=4 2479 B13R1.555 CCCCNCc1cnccc1Cl 270004a_100000102301_100000050567 [0,1,0,1,0,0|2,0,0]=4 2480 B13R1.555 CCCCNCc1ncccc1Br 207a_100000102301_100011934733 [0,1,0,1,0,0|2,0,0]=4 2481 B13R1.555 CCCCNCc1ncccc1Br 2230a_100000102301_100025702911 [0,1,0,1,0,0|2,0,0]=4 2482 B13R1.555 CCCCNCc1ncccc1Br 270004a_100000102301_100011934733 [0,1,0,1,0,0|2,0,0]=4 2483 B13R1.555 CCCCNCc1ncccc1Br 7a_106832991798_100025702911 [0,1,0,1,0,0|2,0,0]=4 2484 B13R1.555 CCCCNCc1ncccc1C 207a_100000102301_100000698913 [0,1,0,1,0,0|2,0,0]=4 2485 B13R1.555 CCCCNCc1ncccc1C 2230a_100000102301_100000696600 [0,1,0,1,0,0|2,0,0]=4 2486 B13R1.555 CCCCNCc1ncccc1C 270004a_100000102301_100000698913 [0,1,0,1,0,0|2,0,0]=4 2487 B13R1.555 CCCCNCc1ncccc1C 34a_100011223789_100000210210 [0,1,0,1,0,0|2,0,0]=4 2488 B13R1.555 CCCCNCc1ncccc1C 7a_106832991798_100000696600 [0,1,0,1,0,0|2,0,0]=4 2489 B13R1.555 CCCCNCc1ncccc1Cl 207a_100000102301_100012001307 [0,1,0,1,0,0|2,0,0]=4 2490 B13R1.555 CCCCNCc1ncccc1Cl 2230a_100000102301_100000099807 [0,1,0,1,0,0|2,0,0]=4 2491 B13R1.555 CCCCNCc1ncccc1Cl 2230a_100015189233_100000210211 [0,1,0,1,0,0|2,0,0]=4 2492 B13R1.555 CCCCNCc1ncccc1Cl 270004a_100000102301_100012001307 [0,1,0,1,0,0|2,0,0]=4 2493 B13R1.555 CCCCNCc1ncccc1Cl 7a_106832991798_100000099807 [0,1,0,1,0,0|2,0,0]=4 2494 B13R1.555 CCCCNCc1ncccc1F 207a_100000102301_100011934734 [0,1,0,1,0,0|2,0,0]=4 2495 B13R1.555 CCCCNCc1ncccc1F 2230a_100000102301_100000104219 [0,1,0,1,0,0|2,0,0]=4 2496 B13R1.555 CCCCNCc1ncccc1F 270004a_100000102301_100011934734 [0,1,0,1,0,0|2,0,0]=4 2497 B13R1.555 CCCCNCc1ncccc1F 34a_100000690088_100000210210 [0,1,0,1,0,0|2,0,0]=4 2498 B13R1.555 CCCCNCc1ncccc1F 7a_106832991798_100000104219 [0,1,0,1,0,0|2,0,0]=4 2499 B13R1.555 CCCCNCc1ncccc1O 7a_106832991798_200020655725 [0,1,0,1,0,0|1,0,1]=4 2500 B13R1.555 CCCCOCc1ccccc1Br 34a_100000210227_100000184730 [0,1,0,1,0,0|1,0,1]=4 2501 B13R1.555 CCCCOCc1ccccc1Br 34a_100000756307_100000210210 [0,1,0,1,0,0|1,0,1]=4 2502 B13R1.555 CCCCOCc1ccccc1Br 7a_100000210227_100000184730 [0,1,0,1,0,0|1,0,1]=4 2503 B13R1.555 CCCCOCc1ccccc1Br 7a_100000756307_100000210211 [0,1,0,1,0,0|1,0,1]=4 2504 B13R1.555 CCCCOCc1ccccc1C 34a_100000210227_100000211839 [0,1,0,1,0,0|1,0,1]=4 2505 B13R1.555 CCCCOCc1ccccc1C 34a_100000698903_100000210210 [0,1,0,1,0,0|1,0,1]=4 2506 B13R1.555 CCCCOCc1ccccc1C 7a_100000210227_100000211839 [0,1,0,1,0,0|1,0,1]=4 2507 B13R1.555 CCCCOCc1ccccc1C 7a_100000698903_100000210211 [0,1,0,1,0,0|1,0,1]=4 2508 B13R1.555 CCCCOCc1ccccc1Cl 34a_100000210227_100000187162 [0,1,0,1,0,0|1,0,1]=4 2509 B13R1.555 CCCCOCc1ccccc1Cl 34a_100000210847_100000210210 [0,1,0,1,0,0|1,0,1]=4 2510 B13R1.555 CCCCOCc1ccccc1Cl 7a_100000210227_100000187162 [0,1,0,1,0,0|1,0,1]=4 2511 B13R1.555 CCCCOCc1ccccc1Cl 7a_100000210847_100000210211 [0,1,0,1,0,0|1,0,1]=4 2512 B13R1.555 CCCCOCc1ccccc1F 34a_100000210227_100000211605 [0,1,0,1,0,0|1,0,1]=4 2513 B13R1.555 CCCCOCc1ccccc1F 34a_100000211962_100000210210 [0,1,0,1,0,0|1,0,1]=4 2514 B13R1.555 CCCCOCc1ccccc1F 7a_100000210227_100000211605 [0,1,0,1,0,0|1,0,1]=4 2515 B13R1.555 CCCCOCc1ccccc1F 7a_100000211962_100000210211 [0,1,0,1,0,0|1,0,1]=4 2516 B13R1.555 CCCCOCc1ccccc1I 34a_100000187465_100000210210 [0,1,0,1,0,0|1,0,1]=4 2517 B13R1.555 CCCCOCc1ccccc1I 34a_100000210227_100011215278 [0,1,0,1,0,0|1,0,1]=4 2518 B13R1.555 CCCCOCc1ccccc1I 7a_100000187465_100000210211 [0,1,0,1,0,0|1,0,1]=4 2519 B13R1.555 CCCCOCc1ccccc1I 7a_100000210227_100011215278 [0,1,0,1,0,0|1,0,1]=4 2520 B13R1.555 CCCCOCc1ccccc1N 34a_100000212039_100000210210 [0,1,0,1,0,0|1,0,1]=4 2521 B13R1.555 CCCCOCc1cccnc1Br 34a_100000210227_100010140945 [0,1,0,1,0,0|2,0,0]=4 2522 B13R1.555 CCCCOCc1cccnc1Br 34a_100000719692_100000210210 [0,1,0,1,0,0|2,0,0]=4 2523 B13R1.555 CCCCOCc1cccnc1Br 7a_100000210227_100010140945 [0,1,0,1,0,0|2,0,0]=4 2524 B13R1.555 CCCCOCc1cccnc1Br 7a_100000719692_100000210211 [0,1,0,1,0,0|2,0,0]=4 2525 B13R1.555 CCCCOCc1cccnc1C 34a_100000210227_100000732876 [0,1,0,1,0,0|2,0,0]=4 2526 B13R1.555 CCCCOCc1cccnc1C 34a_100000729262_100000210210 [0,1,0,1,0,0|2,0,0]=4 2527 B13R1.555 CCCCOCc1cccnc1C 7a_100000210227_100000732876 [0,1,0,1,0,0|2,0,0]=4 2528 B13R1.555 CCCCOCc1cccnc1C 7a_100000729262_100000210211 [0,1,0,1,0,0|2,0,0]=4 2529 B13R1.555 CCCCOCc1cccnc1Cl 34a_100000210227_100000045678 [0,1,0,1,0,0|2,0,0]=4 2530 B13R1.555 CCCCOCc1cccnc1Cl 34a_100000748726_100000210210 [0,1,0,1,0,0|2,0,0]=4 2531 B13R1.555 CCCCOCc1cccnc1Cl 7a_100000210227_100000045678 [0,1,0,1,0,0|2,0,0]=4 2532 B13R1.555 CCCCOCc1cccnc1Cl 7a_100000748726_100000210211 [0,1,0,1,0,0|2,0,0]=4 2533 B13R1.555 CCCCOCc1cccnc1F 34a_100000079888_100000210210 [0,1,0,1,0,0|2,0,0]=4 2534 B13R1.555 CCCCOCc1cccnc1F 34a_100000210227_100000099810 [0,1,0,1,0,0|2,0,0]=4 2535 B13R1.555 CCCCOCc1cccnc1F 7a_100000079888_100000210211 [0,1,0,1,0,0|2,0,0]=4 2536 B13R1.555 CCCCOCc1cccnc1F 7a_100000210227_100000099810 [0,1,0,1,0,0|2,0,0]=4 2537 B13R1.555 CCCCOCc1ccncc1C 34a_100000210227_100020672809 [0,1,0,1,0,0|2,0,0]=4 2538 B13R1.555 CCCCOCc1ccncc1C 34a_100011997032_100000210210 [0,1,0,1,0,0|2,0,0]=4 2539 B13R1.555 CCCCOCc1ccncc1C 7a_100000210227_100020672808 [0,1,0,1,0,0|2,0,0]=4 2540 B13R1.555 CCCCOCc1ccncc1Cl 7a_100000210227_100000763264 [0,1,0,1,0,0|2,0,0]=4 2541 B13R1.555 CCCCOCc1ccncc1F 34a_100012172863_100000210210 [0,1,0,1,0,0|2,0,0]=4 2542 B13R1.555 CCCCOCc1cnccc1C 34a_100000210227_100000690890 [0,1,0,1,0,0|2,0,0]=4 2543 B13R1.555 CCCCOCc1cnccc1C 34a_100011996381_100000210210 [0,1,0,1,0,0|2,0,0]=4 2544 B13R1.555 CCCCOCc1cnccc1C 7a_100000210227_100000690890 [0,1,0,1,0,0|2,0,0]=4 2545 B13R1.555 CCCCOCc1cnccc1Cl 34a_100000117392_100000210210 [0,1,0,1,0,0|2,0,0]=4 2546 B13R1.555 CCCCOCc1ncccc1Br 34a_100000210227_100025702911 [0,1,0,1,0,0|2,0,0]=4 2547 B13R1.555 CCCCOCc1ncccc1Br 34a_100011996772_100000210210 [0,1,0,1,0,0|2,0,0]=4 2548 B13R1.555 CCCCOCc1ncccc1Br 7a_100000210227_100025702911 [0,1,0,1,0,0|2,0,0]=4 2549 B13R1.555 CCCCOCc1ncccc1C 34a_100000210227_100000696600 [0,1,0,1,0,0|2,0,0]=4 2550 B13R1.555 CCCCOCc1ncccc1C 34a_100000698912_100000210210 [0,1,0,1,0,0|2,0,0]=4 2551 B13R1.555 CCCCOCc1ncccc1C 7a_100000210227_100000696600 [0,1,0,1,0,0|2,0,0]=4 2552 B13R1.555 CCCCOCc1ncccc1Cl 34a_100012002383_100000210210 [0,1,0,1,0,0|2,0,0]=4 2553 B13R1.555 CCCCOCc1ncccc1Cl 7a_100000210227_100000099807 [0,1,0,1,0,0|2,0,0]=4 2554 B13R1.555 CCCCOCc1ncccc1F 34a_100000210227_100000104219 [0,1,0,1,0,0|2,0,0]=4 2555 B13R1.555 CCCCOCc1ncccc1F 34a_100011934865_100000210210 [0,1,0,1,0,0|2,0,0]=4 2556 B13R1.555 CCCCOCc1ncccc1F 7a_100000210227_100000104219 [0,1,0,1,0,0|2,0,0]=4 2557 B13R1.555 CCCCOCc1ncccc1N 34a_114873767017_100000210210 [0,1,0,1,0,0|2,0,0]=4 2558 B13R1.555 CCCCOCc1ncccc1O 34a_100000210227_200020655725 [0,1,0,1,0,0|1,0,1]=4 2559 B13R1.555 CCCCOCc1ncccc1O 7a_100000210227_200020655725 [0,1,0,1,0,0|1,0,1]=4 2560 B13R1.555 CCCCSCc1ccccc1Br 62a_100000184730_100000210210 [0,1,0,1,0,0|1,0,1]=4 2561 B13R1.555 CCCCSCc1ccccc1Br 62a_100000210211_100000184730 [0,1,0,1,0,0|1,0,1]=4 2562 B13R1.555 CCCCSCc1ccccc1C 62a_100000210211_100000211839 [0,1,0,1,0,0|1,0,1]=4 2563 B13R1.555 CCCCSCc1ccccc1C 62a_100000211839_100000210210 [0,1,0,1,0,0|1,0,1]=4 2564 B13R1.555 CCCCSCc1ccccc1Cl 62a_100000187162_100000210210 [0,1,0,1,0,0|1,0,1]=4 2565 B13R1.555 CCCCSCc1ccccc1Cl 62a_100000210211_100000187162 [0,1,0,1,0,0|1,0,1]=4 2566 B13R1.555 CCCCSCc1ccccc1F 62a_100000210211_100000211605 [0,1,0,1,0,0|1,0,1]=4 2567 B13R1.555 CCCCSCc1ccccc1F 62a_100000211605_100000210210 [0,1,0,1,0,0|1,0,1]=4 2568 B13R1.555 CCCCSCc1ccccc1I 62a_100000210211_100011216222 [0,1,0,1,0,0|1,0,1]=4 2569 B13R1.555 CCCCSCc1ccccc1I 62a_100011216222_100000210210 [0,1,0,1,0,0|1,0,1]=4 2570 B13R1.555 CCCCSCc1ccccc1O 271570a_203496583355_200011870348 [0,1,0,1,0,0|0,0,2]=4 2571 B13R1.555 CCCCSCc1cccnc1Br 62a_100000210211_100010140945 [0,1,0,1,0,0|2,0,0]=4 2572 B13R1.555 CCCCSCc1cccnc1Br 62a_100010140945_100000210210 [0,1,0,1,0,0|2,0,0]=4 2573 B13R1.555 CCCCSCc1cccnc1C 62a_100000210211_100000732876 [0,1,0,1,0,0|2,0,0]=4 2574 B13R1.555 CCCCSCc1cccnc1C 62a_100000732876_100000210210 [0,1,0,1,0,0|2,0,0]=4 2575 B13R1.555 CCCCSCc1cccnc1Cl 62a_100000045678_100000210210 [0,1,0,1,0,0|2,0,0]=4 2576 B13R1.555 CCCCSCc1cccnc1Cl 62a_100000210211_100000045678 [0,1,0,1,0,0|2,0,0]=4 2577 B13R1.555 CCCCSCc1cccnc1F 62a_100000099810_100000210210 [0,1,0,1,0,0|2,0,0]=4 2578 B13R1.555 CCCCSCc1cccnc1F 62a_100000210211_100000099810 [0,1,0,1,0,0|2,0,0]=4 2579 B13R1.555 CCCCSCc1ccncc1C 62a_100000210211_100020672808 [0,1,0,1,0,0|2,0,0]=4 2580 B13R1.555 CCCCSCc1ccncc1C 62a_100020672808_100000210210 [0,1,0,1,0,0|2,0,0]=4 2581 B13R1.555 CCCCSCc1ccncc1Cl 62a_100000210211_100000763264 [0,1,0,1,0,0|2,0,0]=4 2582 B13R1.555 CCCCSCc1ccncc1Cl 62a_100000763264_100000210210 [0,1,0,1,0,0|2,0,0]=4 2583 B13R1.555 CCCCSCc1cnccc1C 62a_100000210211_100000690890 [0,1,0,1,0,0|2,0,0]=4 2584 B13R1.555 CCCCSCc1cnccc1C 62a_100000690890_100000210210 [0,1,0,1,0,0|2,0,0]=4 2585 B13R1.555 CCCCSCc1ncccc1Br 62a_100000210211_100025702911 [0,1,0,1,0,0|2,0,0]=4 2586 B13R1.555 CCCCSCc1ncccc1Br 62a_100025702911_100000210210 [0,1,0,1,0,0|2,0,0]=4 2587 B13R1.555 CCCCSCc1ncccc1C 62a_100000210211_100000696600 [0,1,0,1,0,0|2,0,0]=4 2588 B13R1.555 CCCCSCc1ncccc1C 62a_100000696600_100000210210 [0,1,0,1,0,0|2,0,0]=4 2589 B13R1.555 CCCCSCc1ncccc1Cl 62a_100000099807_100000210210 [0,1,0,1,0,0|2,0,0]=4 2590 B13R1.555 CCCCSCc1ncccc1Cl 62a_100000210211_100000099807 [0,1,0,1,0,0|2,0,0]=4 2591 B13R1.555 CCCCSCc1ncccc1F 62a_100000104219_100000210210 [0,1,0,1,0,0|2,0,0]=4 2592 B13R1.555 CCCCSCc1ncccc1F 62a_100000210211_100000104219 [0,1,0,1,0,0|2,0,0]=4 2593 B13R1.555 CCCCSCc1ncccc1O 62a_100000210211_200020655725 [0,1,0,1,0,0|1,0,1]=4 2594 B13R1.555 CCCCSCc1ncccc1O 62a_200020655725_100000210210 [0,1,0,1,0,0|1,0,1]=4 2595 B13R1.555 CCCNCCc1ccccc1Br 2230a_100000747383_100000210303 [0,1,0,1,0,0|1,0,1]=4 2596 B13R1.555 CCCNCCc1ccccc1Br 34a_100000747383_100000210303 [0,1,0,1,0,0|1,0,1]=4 2597 B13R1.555 CCCNCCc1ccccc1C 2230a_100000685071_100000210303 [0,1,0,1,0,0|1,0,1]=4 2598 B13R1.555 CCCNCCc1ccccc1C 34a_100000685071_100000210303 [0,1,0,1,0,0|1,0,1]=4 2599 B13R1.555 CCCNCCc1ccccc1Cl 2230a_100011207228_100000210303 [0,1,0,1,0,0|1,0,1]=4 2600 B13R1.555 CCCNCCc1ccccc1Cl 270004a_100020643023_200011713468 [0,1,0,1,0,0|1,0,1]=4 2601 B13R1.555 CCCNCCc1ccccc1Cl 34a_100011207228_100000210303 [0,1,0,1,0,0|1,0,1]=4 2602 B13R1.555 CCCNCCc1ccccc1F 2230a_100000185272_100000210303 [0,1,0,1,0,0|1,0,1]=4 2603 B13R1.555 CCCNCCc1ccccc1F 34a_100000185272_100000210303 [0,1,0,1,0,0|1,0,1]=4 2604 B13R1.555 CCCNCCc1ccccc1O 34a_100011207237_100000210303 [0,1,0,1,0,0|0,0,2]=4 2605 B13R1.555 CCCNCCn1ccccc1=O 2230a_100000687133_100000210303 [0,1,0,1,0,0|1,0,0]=3 2606 B13R1.555 CCCOCCc1ccccc1Br 34a_100000210258_100012161201 [0,1,0,1,0,0|1,0,1]=4 2607 B13R1.555 CCCOCCc1ccccc1Br 34a_100000731337_100000210303 [0,1,0,1,0,0|1,0,1]=4 2608 B13R1.555 CCCOCCc1ccccc1Br 7a_100000731337_100000210303 [0,1,0,1,0,0|1,0,1]=4 2609 B13R1.555 CCCOCCc1ccccc1C 34a_100000210258_100011713688 [0,1,0,1,0,0|1,0,1]=4 2610 B13R1.555 CCCOCCc1ccccc1C 34a_100011220023_100000210303 [0,1,0,1,0,0|1,0,1]=4 2611 B13R1.555 CCCOCCc1ccccc1C 7a_100011220023_100000210303 [0,1,0,1,0,0|1,0,1]=4 2612 B13R1.555 CCCOCCc1ccccc1Cl 34a_100000210258_100011713703 [0,1,0,1,0,0|1,0,1]=4 2613 B13R1.555 CCCOCCc1ccccc1Cl 34a_100011215284_100000210303 [0,1,0,1,0,0|1,0,1]=4 2614 B13R1.555 CCCOCCc1ccccc1Cl 7a_100011215284_100000210303 [0,1,0,1,0,0|1,0,1]=4 2615 B13R1.555 CCCOCCc1ccccc1F 34a_100000210258_100000720011 [0,1,0,1,0,0|1,0,1]=4 2616 B13R1.555 CCCOCCc1ccccc1F 34a_100000753711_100000210303 [0,1,0,1,0,0|1,0,1]=4 2617 B13R1.555 CCCOCCc1ccccc1F 7a_100000753711_100000210303 [0,1,0,1,0,0|1,0,1]=4 2618 B13R1.555 CCCOCCc1ccccc1I 34a_100010255290_100000210303 [0,1,0,1,0,0|1,0,1]=4 2619 B13R1.555 CCCOCCc1ccccc1I 7a_100010255290_100000210303 [0,1,0,1,0,0|1,0,1]=4 2620 B13R1.555 CCCOCCc1ccccc1N 34a_100011215289_100000210303 [0,1,0,1,0,0|1,0,1]=4 2621 B13R1.555 CCCOCCc1ccccc1O 34a_100000210258_100000722297 [0,1,0,1,0,0|0,0,2]=4 2622 B13R1.555 CCCOCCc1ncccc1C 34a_100011997706_100000210303 [0,1,0,1,0,0|2,0,0]=4 2623 B13R1.555 CCCOCCc1ncccc1C 7a_100011997706_100000210303 [0,1,0,1,0,0|2,0,0]=4 2624 B13R1.555 CCCSCCc1ccccc1Br 62a_100000210303_100012161201 [0,1,0,1,0,0|1,0,1]=4 2625 B13R1.555 CCCSCCc1ccccc1Br 62a_100012161201_100000210303 [0,1,0,1,0,0|1,0,1]=4 2626 B13R1.555 CCCSCCc1ccccc1C 62a_100000210303_100011713688 [0,1,0,1,0,0|1,0,1]=4 2627 B13R1.555 CCCSCCc1ccccc1C 62a_100011713688_100000210303 [0,1,0,1,0,0|1,0,1]=4 2628 B13R1.555 CCCSCCc1ccccc1Cl 62a_100000210303_100011713703 [0,1,0,1,0,0|1,0,1]=4 2629 B13R1.555 CCCSCCc1ccccc1Cl 62a_100011713703_100000210303 [0,1,0,1,0,0|1,0,1]=4 2630 B13R1.555 CCCSCCc1ccccc1F 62a_100000210303_100011713696 [0,1,0,1,0,0|1,0,1]=4 2631 B13R1.555 CCCSCCc1ccccc1F 62a_100011713696_100000210303 [0,1,0,1,0,0|1,0,1]=4 2632 B13R1.555 CCCSCCc1ccccc1O 62a_100000210303_100000722297 [0,1,0,1,0,0|0,0,2]=4 2633 B13R1.555 CCCSCCc1ccccc1O 62a_100000722297_100000210303 [0,1,0,1,0,0|0,0,2]=4 2634 B13R1.555 CCNCCCc1ccccc1Br 2230a_100015525214_200011713681 [0,1,0,1,0,0|1,0,1]=4 2635 B13R1.555 CCNCCCc1ccccc1F 2230a_100000724733_100000210202 [0,1,0,1,0,0|1,0,1]=4 2636 B13R1.555 CCNCCCc1ccccc1F 34a_100000724733_100000210202 [0,1,0,1,0,0|1,0,1]=4 2637 B13R1.555 CCOCCCc1ccccc1Br 34a_100000699526_100000210202 [0,1,0,1,0,0|1,0,1]=4 2638 B13R1.555 CCOCCCc1ccccc1Br 34a_100121572206_200011713681 [0,1,0,1,0,0|1,0,1]=4 2639 B13R1.555 CCOCCCc1ccccc1Br 7a_100000699526_100000210202 [0,1,0,1,0,0|1,0,1]=4 2640 B13R1.555 CCOCCCc1ccccc1Cl 34a_100011709251_100000210202 [0,1,0,1,0,0|1,0,1]=4 2641 B13R1.555 CCOCCCc1ccccc1Cl 7a_100011709251_100000210202 [0,1,0,1,0,0|1,0,1]=4 2642 B13R1.555 CCOCCCc1ccccc1F 34a_100011709249_100000210202 [0,1,0,1,0,0|1,0,1]=4 2643 B13R1.555 CCOCCCc1ccccc1F 7a_100011709249_100000210202 [0,1,0,1,0,0|1,0,1]=4 2644 B13R1.555 CCOCCOc1cccoc1=O 34a_100000077404_100000210147 [0,1,0,1,0,0|2,0,0]=4 2645 B13R1.555 CCOCCOc1cccoc1=O 7a_100000077404_100011215890 [0,1,0,1,0,0|2,0,0]=4 2646 B13R1.555 CCOCCOc1coccc1=O 34a_100000060831_100000210147 [0,1,0,1,0,0|2,0,0]=4 2647 B13R1.555 CCOCCSc1c[nH]ccc1=O 62a_100000210147_100009998708 [0,1,0,1,0,0|2,0,0]=4 2648 B13R1.555 CCOCCSc1c[nH]ccc1=O 62a_100009998708_100011215890 [0,1,0,1,0,0|2,0,0]=4 2649 B13R1.555 CCSCCCc1ccccc1Br 62a_100000210202_200011713681 [0,1,0,1,0,0|1,0,1]=4 2650 B13R1.555 CCSCCCc1ccccc1Br 62a_200011713681_100000210202 [0,1,0,1,0,0|1,0,1]=4 2651 B13R1.555 CCSCCOc1cccoc1=O 34a_100000077404_100000757381 [0,1,0,1,0,0|2,0,0]=4 2652 B13R1.555 CCSCCOc1cccoc1=O 7a_100000077404_100000757381 [0,1,0,1,0,0|2,0,0]=4 2653 B13R1.555 CCSCCOc1coccc1=O 34a_100000060831_100000757381 [0,1,0,1,0,0|2,0,0]=4 2654 B13R1.555 CCSCCSc1c[nH]ccc1=O 62a_100000757381_100009998708 [0,1,0,1,0,0|2,0,0]=4 2655 B13R1.555 CCSCCSc1c[nH]ccc1=O 62a_100009998708_100000757381 [0,1,0,1,0,0|2,0,0]=4 2656 B13R1.555 COCCCCc1ccccc1Br 34a_100012092669_200000210301 [0,1,0,1,0,0|1,0,1]=4 2657 B13R1.555 COCCCCc1ccccc1Br 7a_100012092669_200000210301 [0,1,0,1,0,0|1,0,1]=4 2658 B13R1.555 COCCCOc1cccoc1=O 34a_100000077404_100000740836 [0,1,0,1,0,0|2,0,0]=4 2659 B13R1.555 COCCCOc1cccoc1=O 7a_100000077404_100000740836 [0,1,0,1,0,0|2,0,0]=4 2660 B13R1.555 COCCCOc1coccc1=O 34a_100000060831_100000740836 [0,1,0,1,0,0|2,0,0]=4 2661 B13R1.555 COCCCSc1c[nH]ccc1=O 62a_100000709357_100009998708 [0,1,0,1,0,0|2,0,0]=4 2662 B13R1.555 COCCCSc1c[nH]ccc1=O 62a_100009998708_100000709357 [0,1,0,1,0,0|2,0,0]=4 2663 B13R1.555 COCNCCn1ccccc1=O 2230a_100000687133_100000766300 [0,1,0,1,0,0|2,0,0]=4 2664 B13R1.555 CSCNCCn1ccccc1=O 2230a_100000687133_100011218213 [0,1,0,1,0,0|2,0,0]=4 2665 B13R1.555 O=c1cc[nH]cc1SCCCCF 62a_100000729493_100009998708 [0,1,0,1,0,0|2,0,0]=4 2666 B13R1.555 O=c1cc[nH]cc1SCCCCF 62a_100009998708_100000729493 [0,1,0,1,0,0|2,0,0]=4 2667 B13R1.555 O=c1cc[nH]cc1SCCCCO 62a_100000210776_100009998708 [0,1,0,1,0,0|2,0,0]=4 2668 B13R1.555 O=c1cc[nH]cc1SCCCCO 62a_100009998708_100000210776 [0,1,0,1,0,0|2,0,0]=4 2669 B13R1.555 O=c1ccccn1CCNCCF 2230a_100000687133_100011217306 [0,1,0,1,0,0|2,0,0]=4 2670 B13R1.555 O=c1ccccn1CCNCCO 2230a_100000687133_100000211926 [0,1,0,1,0,0|2,0,0]=4 2671 B13R1.555 O=c1ccocc1OCCCCF 34a_100000060831_100000729493 [0,1,0,1,0,0|2,0,0]=4 2672 B13R1.555 O=c1ccocc1OCCCCO 34a_100000060831_100011216708 [0,1,0,1,0,0|2,0,0]=4 2673 B13R1.555 O=c1occcc1OCCCCF 34a_100000077404_100000729493 [0,1,0,1,0,0|2,0,0]=4 2674 B13R1.555 O=c1occcc1OCCCCF 7a_100000077404_100000729493 [0,1,0,1,0,0|2,0,0]=4 2675 B13R1.555 O=c1occcc1OCCCCO 34a_100000077404_100011216708 [0,1,0,1,0,0|2,0,0]=4 2676 B13R1.555 O=c1occcc1OCCCCO 7a_100000077404_100000210776 [0,1,0,1,0,0|2,0,0]=4 2677 B13R1.555 [13CH3]OCCCCc1ccccc1Br 34a_100012092669_200025704644 [0,1,0,1,0,0|1,0,1]=4 2678 B13R1.555 [13CH3]OCCCCc1ccccc1Br 7a_100012092669_200025704644 [0,1,0,1,0,0|1,0,1]=4 2679 B13R1.560 CC=CC=CC=NNCC1CCC1 4a_200020586977_100000691131 [0,1,0,1,0,0|2,0,0]=4 2680 B13R1.24 C/C=C/C=CC(=O)C1CCCCC1 1458a_100000185730_100000210327 [0,1,0,1,0,0|1,0,0]=3 2681 B13R1.24 C/C=C/C=CC(=O)C1CCCOC1 1458a_100000185730_100000693364 [0,1,0,1,0,0|2,0,0]=4 2682 B13R1.24 C/C=C/C=CC(=O)C1CCOCC1 1458a_100000185730_100011324220 [0,1,0,1,0,0|2,0,0]=4 2683 B13R1.24 CCCCCC(=O)c1ccccc1 1458a_100000185807_100000210326 [0,1,0,1,0,0|1,0,1]=4 2684 B13R1.24 CCCCCN(C)c1ccccc1 2230a_100000210012_100000210326 [0,1,0,1,0,0|2,0,0]=4 2685 B13R1.24 CCCCCN(C)c1ccccc1 2230a_200000219563_200000210301 [0,1,0,1,0,0|2,0,0]=4 2686 B13R1.24 CCCCCN(C)c1ccccc1 269982a_100000210012_100000210215 [0,1,0,1,0,0|2,0,0]=4 2687 B13R1.24 CCCCCN(C)c1ccccc1 269982a_200000219563_200000210301 [0,1,0,1,0,0|2,0,0]=4 2688 B13R1.24 CCCCCN(C)c1ccccc1 34a_100000210012_100000718602 [0,1,0,1,0,0|2,0,0]=4 2689 B13R1.24 CCCCCN(C)c1ccccc1 34a_200000219563_200000210301 [0,1,0,1,0,0|2,0,0]=4 2690 B13R1.24 CCCCCN(C)c1ccccc1 7a_200000219563_200000210301 [0,1,0,1,0,0|2,0,0]=4 2691 B13R1.24 CCCCCN([13CH3])c1ccccc1 2230a_200000219563_200025704644 [0,1,0,1,0,0|2,0,0]=4 2692 B13R1.24 CCCCCN([13CH3])c1ccccc1 269982a_200000219563_200025704644 [0,1,0,1,0,0|2,0,0]=4 2693 B13R1.24 CCCCCN([13CH3])c1ccccc1 34a_200000219563_200025704644 [0,1,0,1,0,0|2,0,0]=4 2694 B13R1.24 CCCCCN([13CH3])c1ccccc1 7a_200000219563_200025704644 [0,1,0,1,0,0|2,0,0]=4 2695 B13R1.24 CCCCNC(C)c1ccccc1 2230a_100000102301_100000230085 [0,1,0,1,0,0|2,0,0]=4 2696 B13R1.24 CCCCNC(C)c1ccccc1 269862a_100000102301_100000185851 [0,1,0,1,0,0|2,0,0]=4 2697 B13R1.24 CCCCNC(C)c1ccccc1 7a_106832991798_100000230085 [0,1,0,1,0,0|2,0,0]=4 2698 B13R1.24 CCCCNC(C)c1ccccn1 2230a_100000181244_100000210211 [0,1,0,1,0,0|2,0,0]=4 2699 B13R1.24 CCCCNC(C)c1ccccn1 269862a_100000102301_100000210467 [0,1,0,1,0,0|2,0,0]=4 2700 B13R1.24 CCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210211 [0,1,0,1,0,0|2,0,0]=4 2701 B13R1.24 CCCCOC(C)c1ccccc1 34a_100000210227_100000211855 [0,1,0,1,0,0|2,0,0]=4 2702 B13R1.24 CCCCOC(C)c1ccccc1 7a_100000210227_100000230085 [0,1,0,1,0,0|2,0,0]=4 2703 B13R1.24 CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210210 [0,1,0,1,0,0|2,0,0]=4 2704 B13R1.24 CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210211 [0,1,0,1,0,0|2,0,0]=4 2705 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000210211_100000230085 [0,1,0,1,0,0|2,0,0]=4 2706 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000230085_100000210210 [0,1,0,1,0,0|2,0,0]=4 2707 B13R1.24 CCCNCC(C)c1ccccc1 2230a_100000701038_100000210303 [0,1,0,1,0,0|2,0,0]=4 2708 B13R1.24 CCCNCC(C)c1ccccc1 270004a_100020643023_100000212034 [0,1,0,1,0,0|2,0,0]=4 2709 B13R1.24 CCCNCC(C)c1ccccc1 34a_100000701038_100000210303 [0,1,0,1,0,0|2,0,0]=4 2710 B13R1.24 CCCNCC(O)c1ccccc1 2230a_100000210709_100000210303 [0,1,0,1,0,0|2,0,0]=4 2711 B13R1.24 CCCNCC(O)c1ccccn1 2230a_100000691469_100000210303 [0,1,0,1,0,0|2,0,0]=4 2712 B13R1.24 CCCOCC(C)c1ccccc1 34a_100000210258_100000756946 [0,1,0,1,0,0|2,0,0]=4 2713 B13R1.24 CCCOCC(C)c1ccccc1 34a_100011215166_100000210303 [0,1,0,1,0,0|2,0,0]=4 2714 B13R1.24 CCCOCC(C)c1ccccc1 7a_100011215166_100000210303 [0,1,0,1,0,0|2,0,0]=4 2715 B13R1.24 CCCOCC(O)c1ccccc1 34a_100000210258_100000185958 [0,1,0,1,0,0|2,0,0]=4 2716 B13R1.24 CCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210303 [0,1,0,1,0,0|2,0,0]=4 2717 B13R1.24 CCCOC[C@@H](O)c1ccccc1 34a_100000210258_100011933945 [0,1,0,1,0,0|2,0,0]=4 2718 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000210303_100000756946 [0,1,0,1,0,0|2,0,0]=4 2719 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000756946_100000210303 [0,1,0,1,0,0|2,0,0]=4 2720 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000185958_100000210303 [0,1,0,1,0,0|2,0,0]=4 2721 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000210303_100000185958 [0,1,0,1,0,0|2,0,0]=4 2722 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100000210303_100011933945 [0,1,0,1,0,0|2,0,0]=4 2723 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210303 [0,1,0,1,0,0|2,0,0]=4 2724 B13R1.24 CCNCCC(C)c1ccccc1 270004a_100015525214_100000189432 [0,1,0,1,0,0|2,0,0]=4 2725 B13R1.24 CCNCCC(O)c1ccccc1 2230a_100000763605_100000210202 [0,1,0,1,0,0|2,0,0]=4 2726 B13R1.24 CCNCC[C@@H](O)c1ccccc1 2230a_100015525214_100000729684 [0,1,0,1,0,0|2,0,0]=4 2727 B13R1.24 CCOCC[C@@H](O)c1ccccc1 34a_100121572206_100000729684 [0,1,0,1,0,0|2,0,0]=4 2728 B13R1.24 CCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210202 [0,1,0,1,0,0|2,0,0]=4 2729 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000210202_100000729684 [0,1,0,1,0,0|2,0,0]=4 2730 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210202 [0,1,0,1,0,0|2,0,0]=4 2731 B13R1.24 COCCCC(N)c1ccccc1 34a_100000759318_200000210301 [0,1,0,1,0,0|2,0,0]=4 2732 B13R1.24 [13CH3]OCCCC(N)c1ccccc1 34a_100000759318_200025704644 [0,1,0,1,0,0|2,0,0]=4 2733 B13R1.48 CCCCNCC(=O)c1ccc[nH]1 7a_106832991798_200011262396 [0,1,0,1,0,0|2,0,0]=4 2734 B13R1.48 CCCCNCC(=O)c1ccco1 7a_106832991798_100000211439 [0,1,0,1,0,0|1,0,1]=4 2735 B13R1.48 CCCCNCC(=O)c1cccs1 2230a_100000102301_100000211436 [0,1,0,1,0,0|1,1,0]=4 2736 B13R1.48 CCCCNCC(=O)c1cccs1 7a_106832991798_100000211436 [0,1,0,1,0,0|1,1,0]=4 2737 B13R1.48 CCCCOCC(=O)c1ccc[nH]1 7a_100000210227_200011262396 [0,1,0,1,0,0|2,0,0]=4 2738 B13R1.48 CCCCOCC(=O)c1ccco1 7a_100000210227_100000211439 [0,1,0,1,0,0|1,0,1]=4 2739 B13R1.48 CCCCOCC(=O)c1cccs1 7a_100000210227_100000211436 [0,1,0,1,0,0|1,1,0]=4 2740 B13R1.48 CCCCSCC(=O)c1ccc[nH]1 62a_100000210211_200011262396 [0,1,0,1,0,0|2,0,0]=4 2741 B13R1.48 CCCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210210 [0,1,0,1,0,0|2,0,0]=4 2742 B13R1.48 CCCCSCC(=O)c1ccco1 62a_100000210211_100000211439 [0,1,0,1,0,0|1,0,1]=4 2743 B13R1.48 CCCCSCC(=O)c1ccco1 62a_100000211439_100000210210 [0,1,0,1,0,0|1,0,1]=4 2744 B13R1.48 CCCCSCC(=O)c1cccs1 62a_100000210211_100000211436 [0,1,0,1,0,0|1,1,0]=4 2745 B13R1.48 CCCCSCC(=O)c1cccs1 62a_100000211436_100000210210 [0,1,0,1,0,0|1,1,0]=4 2746 B13R1.48 CCCSCCC(=O)c1cccs1 62a_100000210303_100011290775 [0,1,0,1,0,0|1,1,0]=4 2747 B13R1.48 CCCSCCC(=O)c1cccs1 62a_100011290775_100000210303 [0,1,0,1,0,0|1,1,0]=4 2748 B13R1.156 C/C=C/C=CC(=O)CC1CCCC1 1458a_100000185730_100000740388 [0,1,0,1,0,0|1,0,0]=3 2749 B13R1.156 C/C=C/C=CC(=O)CC1CCCO1 1458a_100000185730_100000203698 [0,1,0,1,0,0|2,0,0]=4 2750 B13R1.156 C/C=C/C=CC(=O)CC1CCOC1 1458a_100000185730_100000702531 [0,1,0,1,0,0|2,0,0]=4 2751 B13R1.156 C/C=C/C=CC(=O)NC1CCCC1 11a_100000211070_100000185730 [0,1,0,1,0,0|2,0,0]=4 2752 B13R1.156 C/C=C/C=CC(=O)NC1CCCC1 1626a_100000211070_100000185730 [0,1,0,1,0,0|2,0,0]=4 2753 B13R1.156 C/C=C/C=CC(=O)NC1CCCC1 240690a_100000211070_100000185730 [0,1,0,1,0,0|2,0,0]=4 2754 B13R1.156 CCCCCC(C)Sc1ccco1 62a_100009814098_200011218191 [0,1,0,1,0,0|1,0,1]=4 2755 B13R1.156 CCCCCC(C)Sc1ccco1 62a_200011218191_100009814098 [0,1,0,1,0,0|1,0,1]=4 2756 B13R1.156 CCCCCC(C)Sc1cccs1 62a_100011215356_200011218191 [0,1,0,1,0,0|1,1,0]=4 2757 B13R1.156 CCCCCC(C)Sc1cccs1 62a_200011218191_100011215356 [0,1,0,1,0,0|1,1,0]=4 2758 B13R1.189 C=Cc1ccc(s1)CCCCCC 271570a_100011290941_100009817186 [0,1,0,1,0,0|1,0,0]=3 2759 B13R1.189 CCCCC=Cc1ccc(o1)C=O 271570a_100016275911_100000185145 [0,1,0,1,0,0|0,0,2]=4 2760 B13R1.189 CCCCC=Cc1ccc(s1)C=O 271570a_100016275911_100000179771 [0,1,0,1,0,0|0,0,2]=4 2761 B13R1.189 CCCCCCc1ccc(s1)SC 62a_100009817186_200000210301 [0,1,0,1,0,0|2,0,0]=4 2762 B13R1.189 CCCCCCc1ccc(s1)SC 62a_200000210301_100009817186 [0,1,0,1,0,0|2,0,0]=4 2763 B13R1.189 CCCCCCc1ccc(s1)S[13CH3] 62a_100009817186_200025704644 [0,1,0,1,0,0|2,0,0]=4 2764 B13R1.189 CCCCCCc1ccc(s1)S[13CH3] 62a_200025704644_100009817186 [0,1,0,1,0,0|2,0,0]=4 2765 B13R1.189 CCCCCNc1ncc(s1)C=O 27a_100000209983_100009814069 [0,1,0,1,0,0|2,0,0]=4 2766 B13R1.189 CCCCCSc1c[nH]c(c1)C=O 62a_100000210326_100000720742 [0,1,0,1,0,0|2,0,0]=4 2767 B13R1.189 CCCCCSc1c[nH]c(c1)C=O 62a_100000720742_100000210326 [0,1,0,1,0,0|2,0,0]=4 2768 B13R1.189 CCCCCSc1cc(c[nH]1)C=O 62a_100000210326_100009882863 [0,1,0,1,0,0|2,0,0]=4 2769 B13R1.189 CCCCCSc1cc(c[nH]1)C=O 62a_100009882863_100000210326 [0,1,0,1,0,0|2,0,0]=4 2770 B13R1.189 CCCCCSc1cc(cs1)C=O 62a_100000210326_100000737087 [0,1,0,1,0,0|2,0,0]=4 2771 B13R1.189 CCCCCSc1cc(cs1)C=O 62a_100000737087_100000210326 [0,1,0,1,0,0|2,0,0]=4 2772 B13R1.189 CCCCCSc1ccc([nH]1)C=O 62a_100000210326_100009875417 [0,1,0,1,0,0|1,0,0]=3 2773 B13R1.189 CCCCCSc1ccc(o1)C=O 62a_100000210326_100000186757 [0,1,0,1,0,0|1,0,0]=3 2774 B13R1.189 CCCCCSc1ccc(s1)C=O 62a_100000179771_100000210326 [0,1,0,1,0,0|1,0,0]=3 2775 B13R1.189 CCCCCSc1ccc(s1)C=O 62a_100000210326_100000179771 [0,1,0,1,0,0|1,0,0]=3 2776 B13R1.189 CCCCCSc1cnc(s1)C=O 62a_100000210326_100000699580 [0,1,0,1,0,0|2,0,0]=4 2777 B13R1.189 CCCCCSc1cnc(s1)C=O 62a_100000699580_100000210326 [0,1,0,1,0,0|2,0,0]=4 2778 B13R1.189 CCCCCSc1coc(c1)C=O 62a_100000210326_100000747035 [0,1,0,1,0,0|2,0,0]=4 2779 B13R1.189 CCCCCSc1coc(c1)C=O 62a_100000747035_100000210326 [0,1,0,1,0,0|2,0,0]=4 2780 B13R1.189 CCCCCSc1csc(c1)C=O 62a_100000210326_100000211722 [0,1,0,1,0,0|2,0,0]=4 2781 B13R1.189 CCCCCSc1csc(c1)C=O 62a_100000211722_100000210326 [0,1,0,1,0,0|2,0,0]=4 2782 B13R1.189 CCCCCSc1csc(n1)C=O 62a_100000210326_100009816814 [0,1,0,1,0,0|2,0,0]=4 2783 B13R1.189 CCCCCSc1csc(n1)C=O 62a_100009816814_100000210326 [0,1,0,1,0,0|2,0,0]=4 2784 B13R1.189 CCCCCSc1nc(cs1)C=O 62a_100000210326_100009816748 [0,1,0,1,0,0|2,0,0]=4 2785 B13R1.189 CCCCCSc1nc(cs1)C=O 62a_100009816748_100000210326 [0,1,0,1,0,0|2,0,0]=4 2786 B13R1.189 CCCCCSc1ncc(s1)C=O 62a_100000210326_100009814069 [0,1,0,1,0,0|2,0,0]=4 2787 B13R1.189 CCCCCSc1ncc(s1)C=O 62a_100009814069_100000210326 [0,1,0,1,0,0|2,0,0]=4 2788 B13R1.189 CCCCNCc1ccc(o1)C=O 2230a_100000102301_200000079136 [0,1,0,1,0,0|1,0,0]=3 2789 B13R1.189 CCCCNCc1ccc(o1)C=O 7a_106832991798_200000079136 [0,1,0,1,0,0|1,0,0]=3 2790 B13R1.189 CCCCNCc1csc(c1)C=O 2230a_100000102301_100000070824 [0,1,0,1,0,0|2,0,0]=4 2791 B13R1.189 CCCCNCc1csc(c1)C=O 7a_106832991798_100000070824 [0,1,0,1,0,0|2,0,0]=4 2792 B13R1.189 CCCCOCc1ccc(o1)C=O 34a_100000210227_200000079136 [0,1,0,1,0,0|1,0,0]=3 2793 B13R1.189 CCCCOCc1ccc(o1)C=O 7a_100000210227_200000079136 [0,1,0,1,0,0|1,0,0]=3 2794 B13R1.189 CCCCOCc1csc(c1)C=O 34a_100000210227_100000070824 [0,1,0,1,0,0|2,0,0]=4 2795 B13R1.189 CCCCOCc1csc(c1)C=O 7a_100000210227_100000070824 [0,1,0,1,0,0|2,0,0]=4 2796 B13R1.189 CCCCSCc1ccc(o1)C=O 62a_100000210211_200000079136 [0,1,0,1,0,0|1,0,0]=3 2797 B13R1.189 CCCCSCc1csc(c1)C=O 62a_100000070824_100000210210 [0,1,0,1,0,0|2,0,0]=4 2798 B13R1.189 CCCCSCc1csc(c1)C=O 62a_100000210211_100000070824 [0,1,0,1,0,0|2,0,0]=4 2799 B13R1.189 CCOCCSc1ccc([nH]1)C=O 62a_100000210147_100009875417 [0,1,0,1,0,0|2,0,0]=4 2800 B13R1.189 CCOCCSc1ccc(o1)C=O 62a_100000210147_100000186757 [0,1,0,1,0,0|2,0,0]=4 2801 B13R1.189 CCOCCSc1ccc(s1)C=O 62a_100000179771_100011215890 [0,1,0,1,0,0|2,0,0]=4 2802 B13R1.189 CCOCCSc1ccc(s1)C=O 62a_100000210147_100000179771 [0,1,0,1,0,0|2,0,0]=4 2803 B13R1.189 CCOCSCc1ccc(o1)C=O 62a_100000739092_200000079136 [0,1,0,1,0,0|2,0,0]=4 2804 B13R1.189 CCSCCSc1ccc([nH]1)C=O 62a_100000757381_100009875417 [0,1,0,1,0,0|2,0,0]=4 2805 B13R1.189 CCSCCSc1ccc(o1)C=O 62a_100000757381_100000186757 [0,1,0,1,0,0|2,0,0]=4 2806 B13R1.189 CCSCCSc1ccc(s1)C=O 62a_100000179771_100000757381 [0,1,0,1,0,0|2,0,0]=4 2807 B13R1.189 CCSCCSc1ccc(s1)C=O 62a_100000757381_100000179771 [0,1,0,1,0,0|2,0,0]=4 2808 B13R1.189 COCCCSc1ccc([nH]1)C=O 62a_100000709357_100009875417 [0,1,0,1,0,0|2,0,0]=4 2809 B13R1.189 COCCCSc1ccc(o1)C=O 62a_100000709357_100000186757 [0,1,0,1,0,0|2,0,0]=4 2810 B13R1.189 COCCCSc1ccc(s1)C=O 62a_100000179771_100000709357 [0,1,0,1,0,0|2,0,0]=4 2811 B13R1.189 COCCCSc1ccc(s1)C=O 62a_100000709357_100000179771 [0,1,0,1,0,0|2,0,0]=4 2812 B13R1.189 COCCNCc1ccc(o1)C=O 2230a_100000209980_200000079136 [0,1,0,1,0,0|2,0,0]=4 2813 B13R1.189 COCCOCc1ccc(o1)C=O 34a_100000210237_200000079136 [0,1,0,1,0,0|2,0,0]=4 2814 B13R1.189 COCCSCc1ccc(o1)C=O 62a_100000233755_200000079136 [0,1,0,1,0,0|2,0,0]=4 2815 B13R1.189 CSCCNCc1ccc(o1)C=O 2230a_100020590264_200000079136 [0,1,0,1,0,0|2,0,0]=4 2816 B13R1.189 CSCCOCc1ccc(o1)C=O 34a_100000230434_200000079136 [0,1,0,1,0,0|2,0,0]=4 2817 B13R1.189 CSCCOCc1ccc(o1)C=O 7a_100000230434_200000079136 [0,1,0,1,0,0|2,0,0]=4 2818 B13R1.189 CSCCSCc1ccc(o1)C=O 62a_100000212216_200000079136 [0,1,0,1,0,0|2,0,0]=4 2819 B13R1.189 NCCCOCc1ccc(o1)C=O 34a_100000182051_200000079136 [0,1,0,1,0,0|2,0,0]=4 2820 B13R1.189 O=Cc1ccc([nH]1)SCCCCF 62a_100000729493_100009875417 [0,1,0,1,0,0|2,0,0]=4 2821 B13R1.189 O=Cc1ccc([nH]1)SCCCCO 62a_100000210776_100009875417 [0,1,0,1,0,0|2,0,0]=4 2822 B13R1.189 O=Cc1ccc(o1)CNCCCF 2230a_100015189416_200000079136 [0,1,0,1,0,0|2,0,0]=4 2823 B13R1.189 O=Cc1ccc(o1)CNCCCF 34a_100015189416_200000079136 [0,1,0,1,0,0|2,0,0]=4 2824 B13R1.189 O=Cc1ccc(o1)COCCCBr 34a_100011217188_200000079136 [0,1,0,1,0,0|2,0,0]=4 2825 B13R1.189 O=Cc1ccc(o1)COCCCCl 34a_100000230001_200000079136 [0,1,0,1,0,0|2,0,0]=4 2826 B13R1.189 O=Cc1ccc(o1)COCCCF 34a_100000759539_200000079136 [0,1,0,1,0,0|2,0,0]=4 2827 B13R1.189 O=Cc1ccc(o1)CSCCCF 62a_100011934791_200000079136 [0,1,0,1,0,0|2,0,0]=4 2828 B13R1.189 O=Cc1ccc(o1)CSCCCO 62a_100011215043_200000079136 [0,1,0,1,0,0|2,0,0]=4 2829 B13R1.189 O=Cc1ccc(o1)SCCCCF 62a_100000729493_100000186757 [0,1,0,1,0,0|2,0,0]=4 2830 B13R1.189 O=Cc1ccc(o1)SCCCCO 62a_100000210776_100000186757 [0,1,0,1,0,0|2,0,0]=4 2831 B13R1.189 O=Cc1ccc(s1)SCCCCF 62a_100000179771_100000729493 [0,1,0,1,0,0|2,0,0]=4 2832 B13R1.189 O=Cc1ccc(s1)SCCCCF 62a_100000729493_100000179771 [0,1,0,1,0,0|2,0,0]=4 2833 B13R1.189 O=Cc1ccc(s1)SCCCCO 62a_100000179771_100000210776 [0,1,0,1,0,0|2,0,0]=4 2834 B13R1.189 O=Cc1ccc(s1)SCCCCO 62a_100000210776_100000179771 [0,1,0,1,0,0|2,0,0]=4 2835 B13R1.556 CCCCc1cc(ccc1C=O)Br 271570a_100020621405_100010146562 [0,1,0,1,0,0|0,0,2]=4 2836 B13R1.556 CCCCc1cc(ccc1C=O)C 271570a_100020621405_100000692596 [0,1,0,1,0,0|0,0,2]=4 2837 B13R1.556 CCCCc1cc(ccc1C=O)F 271570a_100020621405_100000752949 [0,1,0,1,0,0|0,0,2]=4 2838 B13R1.556 CCCCc1cc(ccc1C=O)O 271570a_100020621405_100011236494 [0,1,0,1,0,0|0,0,2]=4 2839 B13R1.556 CCCCc1nc(ccc1C=O)C 271570a_100020621405_100000085379 [0,1,0,1,0,0|1,0,1]=4 2840 B13R1.556 CCCCc1nc(ccc1C=O)F 271570a_100020621405_100009846357 [0,1,0,1,0,0|1,0,1]=4 2841 B13R1.666 CCCCSc1cccc(c1)C=O 62a_100000014684_100000210210 [0,1,0,1,0,0|1,0,1]=4 2842 B13R1.666 CCCCSc1cccc(c1)C=O 62a_100000210211_100000014684 [0,1,0,1,0,0|1,0,1]=4 2843 B13R1.666 CCCCSc1cccc(n1)C=O 62a_100000210211_100000688028 [0,1,0,1,0,0|1,0,1]=4 2844 B13R1.666 CCCCSc1cccc(n1)C=O 62a_100000688028_100000210210 [0,1,0,1,0,0|1,0,1]=4 2845 B13R1.666 CCCOCc1cccc(c1)C=O 34a_100000210258_100009816774 [0,1,0,1,0,0|1,0,1]=4 2846 B13R1.666 CCCSCc1cccc(c1)C=O 62a_100000210303_100009816774 [0,1,0,1,0,0|1,0,1]=4 2847 B13R1.666 CCCSCc1cccc(c1)C=O 62a_100009816774_100000210303 [0,1,0,1,0,0|1,0,1]=4 2848 B13R1.725 C/C=C/C=CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000185730 [0,1,0,1,0,0|2,0,0]=4 2849 B13R1.725 C/C=C/C=CC(=O)N1CCC[C@H]1C 11a_100015189458_100000185730 [0,1,0,1,0,0|2,0,0]=4 2850 B13R1.725 C/C=C/C=CC(=O)N1CCC[C@H]1C 240690a_100015189458_100000185730 [0,1,0,1,0,0|2,0,0]=4 2851 B13R1.728 C/C=C/C=CC(=O)NCC1CCC1 11a_100000738700_100000185730 [0,1,0,1,0,0|2,0,0]=4 2852 B13R1.728 C/C=C/C=CC(=O)NCC1CCC1 1626a_100000738700_100000185730 [0,1,0,1,0,0|2,0,0]=4 2853 B13R1.728 C/C=C/C=CC(=O)NCC1CCC1 240690a_100000738700_100000185730 [0,1,0,1,0,0|2,0,0]=4 2854 B13R1.729 C/C=C/C=CC(=O)CCCC1CO1 1458a_100000185730_100000733510 [0,1,0,1,0,0|2,0,0]=4 2855 B13R1.729 C/C=C/C=CC(=O)NCCC1CC1 1626a_100000764129_100000185730 [0,1,0,1,0,0|2,0,0]=4 2856 B13R1.729 C/C=C/C=CC(=O)NCCC1CC1 240690a_100000764129_100000185730 [0,1,0,1,0,0|2,0,0]=4 2857 B13R1.1619 CCCCc1c(cccc1C=O)F 271570a_100020621405_100011998484 [0,1,0,1,0,0|0,0,2]=4 2858 B13R1.1619 CCCCc1c(cccc1C=O)O 271570a_100020621405_100009816417 [0,1,0,1,0,0|0,0,2]=4 2859 B13R1.27 CCCCCC=Cc1cc(cs1)C 271570a_100000062253_100009876951 [0,1,0,1,0,0|0,1,1]=4 2860 B13R1.27 CCCCCC=Cc1ccc(s1)C 271570a_100000062253_100000761539 [0,1,0,1,0,0|0,1,1]=4 2861 B13R1.27 CCCCCCSc1cc(cs1)C 62a_100000210314_100009876951 [0,1,0,1,0,0|1,1,0]=4 2862 B13R1.27 CCCCCCSc1cc(cs1)C 62a_100009876951_100000210757 [0,1,0,1,0,0|1,1,0]=4 2863 B13R1.27 CCCCCCSc1ccc(s1)C 62a_100000031368_100000210757 [0,1,0,1,0,0|1,1,0]=4 2864 B13R1.27 CCCCCCSc1ccc(s1)C 62a_100000210314_100000031368 [0,1,0,1,0,0|1,1,0]=4 2865 B13R1.44 C=CC=CC(=O)CC1CCCCC1 1458a_100016291481_100000211423 [0,1,0,1,0,0|1,0,1]=4 2866 B13R1.44 C=CC=CC(=O)NC1CCCCC1 1626a_100000182618_100016291481 [0,1,0,1,0,0|2,0,0]=4 2867 B13R1.44 CCCCC(=O)Cc1ccccc1 1458a_100000210183_100015291786 [0,1,0,1,0,0|1,0,1]=4 2868 B13R1.44 CCCCC(=O)Cc1ccccn1 1458a_100000210183_100000721315 [0,1,0,1,0,0|1,0,1]=4 2869 B13R1.44 CCCCC(=O)Cc1ccccn1 1458a_100000233486_100000210211 [0,1,0,1,0,0|1,0,1]=4 2870 B13R1.44 CCCCC(C)Nc1ccccc1 34a_100000106764_200011215066 [0,1,0,1,0,0|2,0,0]=4 2871 B13R1.44 CCCCC(C)Oc1ccccc1 34a_100000210340_200011215066 [0,1,0,1,0,0|2,0,0]=4 2872 B13R1.44 CCCCC(C)Oc1ccccc1 7a_100000210340_200011215066 [0,1,0,1,0,0|2,0,0]=4 2873 B13R1.44 CCCCC(C)Sc1ccccc1 62a_100000719477_200011215066 [0,1,0,1,0,0|2,0,0]=4 2874 B13R1.44 CCCCC(C)Sc1ccccc1 62a_200011215066_100000041952 [0,1,0,1,0,0|2,0,0]=4 2875 B13R1.44 CCCCC(C)Sc1ccccn1 62a_100011216584_200011215066 [0,1,0,1,0,0|2,0,0]=4 2876 B13R1.44 CCCCC(C)Sc1ccccn1 62a_200011215066_100011216584 [0,1,0,1,0,0|2,0,0]=4 2877 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000186898_100000210211 [0,1,0,1,0,0|2,0,0]=4 2878 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000207549_100015291786 [0,1,0,1,0,0|2,0,0]=4 2879 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_200000196024_200000210301 [0,1,0,1,0,0|2,0,0]=4 2880 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000186898_100000210211 [0,1,0,1,0,0|2,0,0]=4 2881 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000207549_100000211182 [0,1,0,1,0,0|2,0,0]=4 2882 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_200000196024_200000210301 [0,1,0,1,0,0|2,0,0]=4 2883 B13R1.44 CCCCN(C)Cc1ccccc1 270004a_100000207549_100015611070 [0,1,0,1,0,0|2,0,0]=4 2884 B13R1.44 CCCCN(C)Cc1ccccn1 2230a_100000207498_100000210211 [0,1,0,1,0,0|2,0,0]=4 2885 B13R1.44 CCCCN(C)Cc1ccccn1 2230a_100000207549_100000721315 [0,1,0,1,0,0|2,0,0]=4 2886 B13R1.44 CCCCN(C)Cc1ccccn1 2230a_200000200672_200000210301 [0,1,0,1,0,0|2,0,0]=4 2887 B13R1.44 CCCCN(C)Cc1ccccn1 269982a_100000207498_100000210211 [0,1,0,1,0,0|2,0,0]=4 2888 B13R1.44 CCCCN(C)Cc1ccccn1 269982a_100000207549_100000721315 [0,1,0,1,0,0|2,0,0]=4 2889 B13R1.44 CCCCN(C)Cc1ccccn1 269982a_200000200672_200000210301 [0,1,0,1,0,0|2,0,0]=4 2890 B13R1.44 CCCCN(C)Cc1ccccn1 270004a_100000207549_100000209966 [0,1,0,1,0,0|2,0,0]=4 2891 B13R1.44 CCCCN([13CH3])Cc1ccccc1 2230a_200000196024_200025704644 [0,1,0,1,0,0|2,0,0]=4 2892 B13R1.44 CCCCN([13CH3])Cc1ccccc1 269982a_200000196024_200025704644 [0,1,0,1,0,0|2,0,0]=4 2893 B13R1.44 CCCCN([13CH3])Cc1ccccn1 2230a_200000200672_200025704644 [0,1,0,1,0,0|2,0,0]=4 2894 B13R1.44 CCCCN([13CH3])Cc1ccccn1 269982a_200000200672_200025704644 [0,1,0,1,0,0|2,0,0]=4 2895 B13R1.44 CCCNC(C)Cc1ccccn1 2230a_100000238496_100000210303 [0,1,0,1,0,0|2,0,0]=4 2896 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000210258_200011218536 [0,1,0,1,0,0|2,0,0]=4 2897 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000748627_100000210303 [0,1,0,1,0,0|2,0,0]=4 2898 B13R1.44 CCCOC(C)Cc1ccccc1 7a_100000748627_100000210303 [0,1,0,1,0,0|2,0,0]=4 2899 B13R1.44 CCCSC(C)Cc1ccccc1 62a_100000210303_200011218536 [0,1,0,1,0,0|2,0,0]=4 2900 B13R1.44 CCCSC(C)Cc1ccccc1 62a_200011218536_100000210303 [0,1,0,1,0,0|2,0,0]=4 2901 B13R1.44 CCNCC(O)Cc1ccccc1 2230a_100000752270_100000210202 [0,1,0,1,0,0|2,0,0]=4 2902 B13R1.44 CCNC[C@@H](O)Cc1ccccc1 2230a_100015525214_100000729385 [0,1,0,1,0,0|2,0,0]=4 2903 B13R1.44 CCOCC(C)Cc1ccccc1 34a_100012125295_100000210202 [0,1,0,1,0,0|2,0,0]=4 2904 B13R1.44 CCOCC(C)Cc1ccccc1 7a_100012125295_100000210202 [0,1,0,1,0,0|2,0,0]=4 2905 B13R1.44 CCOCC(N)Cc1ccccc1 34a_100000739027_100000210202 [0,1,0,1,0,0|2,0,0]=4 2906 B13R1.44 CCOC[C@@H](O)Cc1ccccc1 34a_100121572206_100000729385 [0,1,0,1,0,0|2,0,0]=4 2907 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000210202_100000729385 [0,1,0,1,0,0|2,0,0]=4 2908 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210202 [0,1,0,1,0,0|2,0,0]=4 2909 B13R1.73 CCCCc1ccc(cc1C=O)Br 271570a_100020621405_100010185651 [0,1,0,1,0,0|0,0,2]=4 2910 B13R1.73 CCCCc1ccc(cc1C=O)C 271570a_100020621405_100011551863 [0,1,0,1,0,0|0,0,2]=4 2911 B13R1.73 CCCCc1ccc(cc1C=O)Cl 271570a_100020621405_100010254386 [0,1,0,1,0,0|0,0,2]=4 2912 B13R1.73 CCCCc1ccc(cc1C=O)F 271570a_100020621405_100011218309 [0,1,0,1,0,0|0,0,2]=4 2913 B13R1.73 CCCCc1ccc(cc1C=O)O 271570a_100020621405_100000690577 [0,1,0,1,0,0|0,0,2]=4 2914 B13R1.73 CCCCc1ncc(cc1C=O)C 271570a_100020621405_100000050350 [0,1,0,1,0,0|1,0,1]=4 2915 B13R1.73 CCCCc1ncc(cc1C=O)F 271570a_100020621405_100000079965 [0,1,0,1,0,0|1,0,1]=4 2916 B13R1.153 C=CC=CC(=O)CCC1CCCC1 1458a_100016291481_100000760354 [0,1,0,1,0,0|1,0,1]=4 2917 B13R1.153 C=CC=CC(=O)NCC1CCCC1 1626a_100000737975_100016291481 [0,1,0,1,0,0|2,0,0]=4 2918 B13R1.674 C=CC=CC(=O)N1CCCCC1C 1626a_100000211376_100016291481 [0,1,0,1,0,0|2,0,0]=4 2919 B13R1.684 C=CC=CC(=O)N1CCCC1CC 1626a_100000754278_100016291481 [0,1,0,1,0,0|2,0,0]=4 2920 B13R1.2488 C=CC=CC(=O)C1CCCCCC1 1458a_100016291481_100011217769 [0,1,0,1,0,0|1,0,1]=4 2921 B13R1.2488 C=CC=CC(=O)N1CCCCCC1 1626a_100000185865_100016291481 [0,1,0,1,0,0|2,0,0]=4 2922 B13R1.158 CC(C)NCCn1ccccc1=O 2230a_100000687133_100000210206 [0,1,0,1,0,0|2,0,0]=4 2923 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100000070787_100000701786 [0,1,0,1,0,0|1,0,1]=4 2924 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100011215911_200000210301 [0,1,0,1,0,0|1,0,1]=4 2925 B13R1.337 CC(Br)CCOCc1ccccc1 34a_100009893172_100015291786 [0,1,0,1,0,0|2,0,0]=4 2926 B13R1.337 CC(Br)CCOCc1ccccn1 34a_100009893172_100000721315 [0,1,0,1,0,0|2,0,0]=4 2927 B13R1.337 CC(Br)COCCc1ccccc1 34a_100012180447_100000765856 [0,1,0,1,0,0|2,0,0]=4 2928 B13R1.337 CC(C)CCCNc1ccccc1 34a_100000106764_100011214892 [0,1,0,1,0,0|2,0,0]=4 2929 B13R1.337 CC(C)CCCOc1ccccc1 34a_100000210340_100011214892 [0,1,0,1,0,0|2,0,0]=4 2930 B13R1.337 CC(C)CCCOc1ccccc1 7a_100000210340_100011214892 [0,1,0,1,0,0|2,0,0]=4 2931 B13R1.337 CC(C)CCCSc1ccccc1 62a_100000719477_100011214892 [0,1,0,1,0,0|2,0,0]=4 2932 B13R1.337 CC(C)CCCSc1ccccc1 62a_100011214892_100000041952 [0,1,0,1,0,0|2,0,0]=4 2933 B13R1.337 CC(C)CCCSc1ccccn1 62a_100011214892_100011216584 [0,1,0,1,0,0|2,0,0]=4 2934 B13R1.337 CC(C)CCCSc1ccccn1 62a_100011216584_100011214892 [0,1,0,1,0,0|2,0,0]=4 2935 B13R1.337 CC(C)CCNCc1ccccc1 207a_100000210545_100015611070 [0,1,0,1,0,0|2,0,0]=4 2936 B13R1.337 CC(C)CCNCc1ccccc1 2230a_100015324214_100000210312 [0,1,0,1,0,0|2,0,0]=4 2937 B13R1.337 CC(C)CCNCc1ccccc1 269862a_100015324214_100000185833 [0,1,0,1,0,0|2,0,0]=4 2938 B13R1.337 CC(C)CCNCc1ccccc1 270004a_100000210545_100015611070 [0,1,0,1,0,0|2,0,0]=4 2939 B13R1.337 CC(C)CCNCc1ccccc1 34a_100015324214_100000210312 [0,1,0,1,0,0|2,0,0]=4 2940 B13R1.337 CC(C)CCNCc1ccccn1 207a_100000210545_100000209966 [0,1,0,1,0,0|2,0,0]=4 2941 B13R1.337 CC(C)CCNCc1ccccn1 270004a_100000210545_100000209966 [0,1,0,1,0,0|2,0,0]=4 2942 B13R1.337 CC(C)CCOCc1ccccc1 34a_100000210254_100015291786 [0,1,0,1,0,0|2,0,0]=4 2943 B13R1.337 CC(C)CCOCc1ccccc1 34a_100000210790_100000210312 [0,1,0,1,0,0|2,0,0]=4 2944 B13R1.337 CC(C)CCOCc1ccccc1 7a_100000210254_100000211182 [0,1,0,1,0,0|2,0,0]=4 2945 B13R1.337 CC(C)CCOCc1ccccc1 7a_100000210790_100000210626 [0,1,0,1,0,0|2,0,0]=4 2946 B13R1.337 CC(C)CCOCc1ccccn1 34a_100000210254_100000721315 [0,1,0,1,0,0|2,0,0]=4 2947 B13R1.337 CC(C)CCOCc1ccccn1 7a_100000210254_100000721315 [0,1,0,1,0,0|2,0,0]=4 2948 B13R1.337 CC(C)CCSCc1ccccc1 62a_100000210312_100015291786 [0,1,0,1,0,0|2,0,0]=4 2949 B13R1.337 CC(C)CCSCc1ccccc1 62a_100000211182_100000210312 [0,1,0,1,0,0|2,0,0]=4 2950 B13R1.337 CC(C)CCSCc1ccccn1 62a_100000210312_100000721315 [0,1,0,1,0,0|2,0,0]=4 2951 B13R1.337 CC(C)CCSCc1ccccn1 62a_100000721315_100000210312 [0,1,0,1,0,0|2,0,0]=4 2952 B13R1.337 CC(C)CNCCc1ccccc1 2230a_100000106460_100000210760 [0,1,0,1,0,0|2,0,0]=4 2953 B13R1.337 CC(C)CNCCc1ccccc1 2230a_100000210953_100000765856 [0,1,0,1,0,0|2,0,0]=4 2954 B13R1.337 CC(C)CNCCc1ccccc1 270004a_100000106460_100000210432 [0,1,0,1,0,0|2,0,0]=4 2955 B13R1.337 CC(C)CNCCc1ccccc1 34a_100000106460_100000210624 [0,1,0,1,0,0|2,0,0]=4 2956 B13R1.337 CC(C)CNCCc1ccccc1 34a_100000210953_100000765856 [0,1,0,1,0,0|2,0,0]=4 2957 B13R1.337 CC(C)CNCCc1ccccn1 2230a_100000210953_100015183660 [0,1,0,1,0,0|2,0,0]=4 2958 B13R1.337 CC(C)CNCCc1ccccn1 270004a_100000211156_100000210432 [0,1,0,1,0,0|2,0,0]=4 2959 B13R1.337 CC(C)COCCc1ccccc1 34a_100000210257_100000765856 [0,1,0,1,0,0|2,0,0]=4 2960 B13R1.337 CC(C)COCCc1ccccc1 34a_100000210268_100000210624 [0,1,0,1,0,0|2,0,0]=4 2961 B13R1.337 CC(C)COCCc1ccccc1 7a_100000210268_100000210760 [0,1,0,1,0,0|2,0,0]=4 2962 B13R1.337 CC(C)COCCc1ccccn1 34a_100000210271_100000210624 [0,1,0,1,0,0|2,0,0]=4 2963 B13R1.337 CC(C)CSCCc1ccccc1 62a_100000210624_100011218657 [0,1,0,1,0,0|2,0,0]=4 2964 B13R1.337 CC(C)CSCCc1ccccc1 62a_100000765856_100000210760 [0,1,0,1,0,0|2,0,0]=4 2965 B13R1.337 CC(C)CSCCc1ccccn1 62a_100000210624_100015183660 [0,1,0,1,0,0|2,0,0]=4 2966 B13R1.337 CC(C)CSCCc1ccccn1 62a_100015183660_100000210760 [0,1,0,1,0,0|2,0,0]=4 2967 B13R1.337 CC(C)NCCCc1ccccc1 2230a_100000211184_100000210206 [0,1,0,1,0,0|2,0,0]=4 2968 B13R1.337 CC(C)NCCCc1ccccc1 2230a_100138425928_100000211621 [0,1,0,1,0,0|2,0,0]=4 2969 B13R1.337 CC(C)NCCCc1ccccc1 34a_100000211184_100000210206 [0,1,0,1,0,0|2,0,0]=4 2970 B13R1.337 CC(C)NCCCc1ccccc1 34a_100138425928_100000211621 [0,1,0,1,0,0|2,0,0]=4 2971 B13R1.337 CC(C)OCCCc1ccccc1 34a_100000210828_100000210206 [0,1,0,1,0,0|2,0,0]=4 2972 B13R1.337 CC(C)OCCCc1ccccc1 34a_100000212225_100000211621 [0,1,0,1,0,0|2,0,0]=4 2973 B13R1.337 CC(C)OCCCc1ccccc1 7a_100000210828_100000210206 [0,1,0,1,0,0|2,0,0]=4 2974 B13R1.337 CC(C)OCCCc1ccccn1 34a_100011215068_100000210206 [0,1,0,1,0,0|2,0,0]=4 2975 B13R1.337 CC(C)SCCCc1ccccc1 62a_100000210206_100000211621 [0,1,0,1,0,0|2,0,0]=4 2976 B13R1.337 CC(C)SCCCc1ccccc1 62a_100000211621_100000210206 [0,1,0,1,0,0|2,0,0]=4 2977 B13R1.337 CC(F)COCCc1ccccc1 34a_100015925927_100000765856 [0,1,0,1,0,0|2,0,0]=4 2978 B13R1.337 CC(O)CCCNc1ccccc1 34a_100000106764_200000718107 [0,1,0,1,0,0|2,0,0]=4 2979 B13R1.337 CC(O)CCCOc1ccccc1 34a_100000210340_200000718107 [0,1,0,1,0,0|2,0,0]=4 2980 B13R1.337 CC(O)CCCOc1ccccc1 7a_100000210340_200000718107 [0,1,0,1,0,0|2,0,0]=4 2981 B13R1.337 CC(O)CCCSc1ccccc1 62a_100000719477_200000718107 [0,1,0,1,0,0|2,0,0]=4 2982 B13R1.337 CC(O)CCCSc1ccccc1 62a_200000718107_100000041952 [0,1,0,1,0,0|2,0,0]=4 2983 B13R1.337 CC(O)CCCSc1ccccn1 62a_100011216584_200000718107 [0,1,0,1,0,0|2,0,0]=4 2984 B13R1.337 CC(O)CCCSc1ccccn1 62a_200000718107_100011216584 [0,1,0,1,0,0|2,0,0]=4 2985 B13R1.337 CC(O)CCNCc1ccccc1 207a_200000755665_100015611070 [0,1,0,1,0,0|2,0,0]=4 2986 B13R1.337 CC(O)CCNCc1ccccc1 2230a_100015324214_100012276601 [0,1,0,1,0,0|2,0,0]=4 2987 B13R1.337 CC(O)CCNCc1ccccc1 2230a_200000755665_100015291786 [0,1,0,1,0,0|2,0,0]=4 2988 B13R1.337 CC(O)CCNCc1ccccc1 270004a_200000755665_100015611070 [0,1,0,1,0,0|2,0,0]=4 2989 B13R1.337 CC(O)CCNCc1ccccc1 34a_100015324214_100012276601 [0,1,0,1,0,0|2,0,0]=4 2990 B13R1.337 CC(O)CCNCc1ccccn1 207a_200000755665_100000209966 [0,1,0,1,0,0|2,0,0]=4 2991 B13R1.337 CC(O)CCNCc1ccccn1 2230a_200000755665_100000721315 [0,1,0,1,0,0|2,0,0]=4 2992 B13R1.337 CC(O)CCNCc1ccccn1 270004a_200000755665_100000209966 [0,1,0,1,0,0|2,0,0]=4 2993 B13R1.337 CC(O)CCOCc1ccccc1 34a_100000210790_100012276601 [0,1,0,1,0,0|2,0,0]=4 2994 B13R1.337 CC(O)CCOCc1ccccc1 7a_100000210790_100012276601 [0,1,0,1,0,0|2,0,0]=4 2995 B13R1.337 CC(O)CCSCc1ccccc1 62a_100000211182_100012276601 [0,1,0,1,0,0|2,0,0]=4 2996 B13R1.337 CC(O)CCSCc1ccccc1 62a_100012276601_100015291786 [0,1,0,1,0,0|2,0,0]=4 2997 B13R1.337 CC(O)CCSCc1ccccn1 62a_100000721315_100012276601 [0,1,0,1,0,0|2,0,0]=4 2998 B13R1.337 CC(O)CCSCc1ccccn1 62a_100012276601_100000721315 [0,1,0,1,0,0|2,0,0]=4 2999 B13R1.337 CC(O)CNCCc1ccccc1 2230a_100000106460_100011218427 [0,1,0,1,0,0|2,0,0]=4 3000 B13R1.337 CC(O)CNCCc1ccccc1 2230a_100000210904_100000765856 [0,1,0,1,0,0|2,0,0]=4 3001 B13R1.337 CC(O)CNCCc1ccccc1 34a_100000106460_100011218427 [0,1,0,1,0,0|2,0,0]=4 3002 B13R1.337 CC(O)CNCCc1ccccc1 34a_100000210904_100000765856 [0,1,0,1,0,0|2,0,0]=4 3003 B13R1.337 CC(O)CNCCc1ccccn1 2230a_100000210904_100015183660 [0,1,0,1,0,0|2,0,0]=4 3004 B13R1.337 CC(O)COCCc1ccccc1 34a_100000210268_100011218427 [0,1,0,1,0,0|2,0,0]=4 3005 B13R1.337 CC(O)COCCc1ccccc1 7a_100000210268_100011218427 [0,1,0,1,0,0|2,0,0]=4 3006 B13R1.337 CC(O)COCCc1ccccn1 34a_100000210271_100011218427 [0,1,0,1,0,0|2,0,0]=4 3007 B13R1.337 CC(O)CSCCc1ccccc1 62a_100000765856_100011218427 [0,1,0,1,0,0|2,0,0]=4 3008 B13R1.337 CC(O)CSCCc1ccccc1 62a_100011218427_100011218657 [0,1,0,1,0,0|2,0,0]=4 3009 B13R1.337 CC(O)CSCCc1ccccn1 62a_100011218427_100015183660 [0,1,0,1,0,0|2,0,0]=4 3010 B13R1.337 CC(O)CSCCc1ccccn1 62a_100015183660_100011218427 [0,1,0,1,0,0|2,0,0]=4 3011 B13R1.337 CN(C)CCCCc1ccccc1 2230a_100000741445_200000210301 [0,1,0,1,0,0|2,0,0]=4 3012 B13R1.337 CN(C)CCCCc1ccccc1 2230a_100102631434_100000701786 [0,1,0,1,0,0|2,0,0]=4 3013 B13R1.337 CN(C)CCCCc1ccccc1 269982a_100000741445_200000210301 [0,1,0,1,0,0|2,0,0]=4 3014 B13R1.337 CN(C)CCCCc1ccccc1 269982a_100102631434_100000701786 [0,1,0,1,0,0|2,0,0]=4 3015 B13R1.337 CN(C)CCCCc1ccccc1 34a_100000741445_200000210301 [0,1,0,1,0,0|2,0,0]=4 3016 B13R1.337 CN([13CH3])CCCCc1ccccc1 2230a_100000741445_200025704644 [0,1,0,1,0,0|2,0,0]=4 3017 B13R1.337 CN([13CH3])CCCCc1ccccc1 269982a_100000741445_200025704644 [0,1,0,1,0,0|2,0,0]=4 3018 B13R1.337 CN([13CH3])CCCCc1ccccc1 34a_100000741445_200025704644 [0,1,0,1,0,0|2,0,0]=4 3019 B13R1.337 C[C@@H](Cl)COCCc1ccccc1 34a_100016084084_100000765856 [0,1,0,1,0,0|2,0,0]=4 3020 B13R1.337 C[C@@H](N)CCOCc1ccccc1 34a_100000706166_100015291786 [0,1,0,1,0,0|2,0,0]=4 3021 B13R1.337 C[C@@H](N)CCOCc1ccccn1 34a_100000706166_100000721315 [0,1,0,1,0,0|2,0,0]=4 3022 B13R1.337 C[C@@H](N)COCCc1ccccc1 34a_100000737577_100000765856 [0,1,0,1,0,0|2,0,0]=4 3023 B13R1.337 C[C@@H](O)CNCCc1ccccc1 2230a_100000106460_100009817552 [0,1,0,1,0,0|2,0,0]=4 3024 B13R1.337 C[C@@H](O)CNCCc1ccccc1 34a_100000106460_100009817552 [0,1,0,1,0,0|2,0,0]=4 3025 B13R1.337 C[C@@H](O)COCCc1ccccc1 34a_100000210268_100009817552 [0,1,0,1,0,0|2,0,0]=4 3026 B13R1.337 C[C@@H](O)COCCc1ccccc1 7a_100000210268_100009817552 [0,1,0,1,0,0|2,0,0]=4 3027 B13R1.337 C[C@@H](O)COCCc1ccccn1 34a_100000210271_100009817552 [0,1,0,1,0,0|2,0,0]=4 3028 B13R1.337 C[C@@H](O)CSCCc1ccccc1 62a_100000765856_100009817552 [0,1,0,1,0,0|2,0,0]=4 3029 B13R1.337 C[C@@H](O)CSCCc1ccccc1 62a_100009817552_100011218657 [0,1,0,1,0,0|2,0,0]=4 3030 B13R1.337 C[C@@H](O)CSCCc1ccccn1 62a_100009817552_100015183660 [0,1,0,1,0,0|2,0,0]=4 3031 B13R1.337 C[C@@H](O)CSCCc1ccccn1 62a_100015183660_100009817552 [0,1,0,1,0,0|2,0,0]=4 3032 B13R1.337 [13CH3]C(=O)CCCCc1ccccc1 1458a_100011215911_200025704644 [0,1,0,1,0,0|1,0,1]=4 3033 B13R1.343 CC(C)CCCCSc1ccco1 62a_100009814098_100011216152 [0,1,0,1,0,0|1,0,1]=4 3034 B13R1.343 CC(C)CCCCSc1ccco1 62a_100011216152_100009814098 [0,1,0,1,0,0|1,0,1]=4 3035 B13R1.343 CC(C)CCCCSc1cccs1 62a_100011215356_100011216152 [0,1,0,1,0,0|1,1,0]=4 3036 B13R1.343 CC(C)CCCCSc1cccs1 62a_100011216152_100011215356 [0,1,0,1,0,0|1,1,0]=4 3037 B13R1.572 CCCCc1ccccc1C(=O)C 271570a_100020621405_100000751169 [0,1,0,1,0,0|0,0,2]=4 3038 B13R1.572 CCCCc1ccccc1C(=O)N 271570a_100020621405_100000162227 [0,1,0,1,0,0|0,0,2]=4 3039 B13R1.572 CCCCc1ncccc1C(=O)C 271570a_100020621405_100000753718 [0,1,0,1,0,0|1,0,1]=4 3040 B13R1.572 CCCCc1ncccc1C(=O)N 271570a_100020621405_100000162199 [0,1,0,1,0,0|1,0,1]=4 3041 B13R1.9 CCCCCCc1ccc(cc1)O 271570a_203496583355_100009814338 [0,1,0,1,0,0|1,0,0]=3 3042 B13R1.9 CCCCCNc1ccc(cc1)Br 2230a_100000210018_100000210326 [0,1,0,1,0,0|2,0,0]=4 3043 B13R1.9 CCCCCNc1ccc(cc1)Br 34a_100000210018_100000718602 [0,1,0,1,0,0|2,0,0]=4 3044 B13R1.9 CCCCCNc1ccc(cc1)C 34a_100000124888_100000718602 [0,1,0,1,0,0|2,0,0]=4 3045 B13R1.9 CCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210326 [0,1,0,1,0,0|2,0,0]=4 3046 B13R1.9 CCCCCNc1ccc(cc1)Cl 34a_100000210052_100000718602 [0,1,0,1,0,0|2,0,0]=4 3047 B13R1.9 CCCCCNc1ccc(cc1)F 34a_100000185862_100000718602 [0,1,0,1,0,0|2,0,0]=4 3048 B13R1.9 CCCCCNc1ccc(cc1)I 34a_100000185761_100000718602 [0,1,0,1,0,0|2,0,0]=4 3049 B13R1.9 CCCCCNc1ccc(cc1)O 34a_100000185829_100000718602 [0,1,0,1,0,0|2,0,0]=4 3050 B13R1.9 CCCCCNc1ccc(cn1)Br 27a_100000209983_100000686858 [0,1,0,1,0,0|2,0,0]=4 3051 B13R1.9 CCCCCOc1ccc(cc1)Br 34a_100000185759_100000718602 [0,1,0,1,0,0|2,0,0]=4 3052 B13R1.9 CCCCCOc1ccc(cc1)Br 7a_100000185759_100000210326 [0,1,0,1,0,0|2,0,0]=4 3053 B13R1.9 CCCCCOc1ccc(cc1)C 34a_100000210336_100000718602 [0,1,0,1,0,0|2,0,0]=4 3054 B13R1.9 CCCCCOc1ccc(cc1)C 7a_100000210336_100000210326 [0,1,0,1,0,0|2,0,0]=4 3055 B13R1.9 CCCCCOc1ccc(cc1)Cl 34a_100000210216_100000718602 [0,1,0,1,0,0|2,0,0]=4 3056 B13R1.9 CCCCCOc1ccc(cc1)Cl 7a_100000210216_100000210326 [0,1,0,1,0,0|2,0,0]=4 3057 B13R1.9 CCCCCOc1ccc(cc1)F 34a_100000210339_100000718602 [0,1,0,1,0,0|2,0,0]=4 3058 B13R1.9 CCCCCOc1ccc(cc1)I 34a_100000212066_100000718602 [0,1,0,1,0,0|2,0,0]=4 3059 B13R1.9 CCCCCOc1ccc(cc1)I 7a_100000212066_100000210326 [0,1,0,1,0,0|2,0,0]=4 3060 B13R1.9 CCCCCOc1ccc(cc1)N 34a_100000185829_100000718602 [0,1,0,1,0,0|2,0,0]=4 3061 B13R1.9 CCCCCOc1ccc(cc1)O 271570a_203496583355_200011214818 [0,1,0,1,0,0|2,0,0]=4 3062 B13R1.9 CCCCCOc1ccc(cn1)C 34a_100000759353_100000718602 [0,1,0,1,0,0|2,0,0]=4 3063 B13R1.9 CCCCCOc1ccc(cn1)Cl 34a_100011215309_100000718602 [0,1,0,1,0,0|2,0,0]=4 3064 B13R1.9 CCCCCOc1ccc(cn1)F 34a_100000742473_100000718602 [0,1,0,1,0,0|2,0,0]=4 3065 B13R1.9 CCCCCOc1ccc(cn1)N 34a_100000729260_100000718602 [0,1,0,1,0,0|2,0,0]=4 3066 B13R1.9 CCCCCSc1ccc(cc1)Br 62a_100000210326_100000752885 [0,1,0,1,0,0|2,0,0]=4 3067 B13R1.9 CCCCCSc1ccc(cc1)Br 62a_100000752885_100000210326 [0,1,0,1,0,0|2,0,0]=4 3068 B13R1.9 CCCCCSc1ccc(cc1)C 62a_100000186775_100000210326 [0,1,0,1,0,0|2,0,0]=4 3069 B13R1.9 CCCCCSc1ccc(cc1)C 62a_100000210326_100000186775 [0,1,0,1,0,0|2,0,0]=4 3070 B13R1.9 CCCCCSc1ccc(cc1)Cl 62a_100000210326_100000755918 [0,1,0,1,0,0|2,0,0]=4 3071 B13R1.9 CCCCCSc1ccc(cc1)Cl 62a_100000755918_100000210326 [0,1,0,1,0,0|2,0,0]=4 3072 B13R1.9 CCCCCSc1ccc(cc1)F 62a_100000210326_100000211213 [0,1,0,1,0,0|2,0,0]=4 3073 B13R1.9 CCCCCSc1ccc(cc1)F 62a_100000211213_100000210326 [0,1,0,1,0,0|2,0,0]=4 3074 B13R1.9 CCCCCSc1ccc(cc1)N 62a_100000185761_100000210326 [0,1,0,1,0,0|2,0,0]=4 3075 B13R1.9 CCCCCSc1ccc(cc1)N 62a_100000210326_100000185761 [0,1,0,1,0,0|2,0,0]=4 3076 B13R1.9 CCCCCSc1ccc(cc1)O 62a_100000210326_100000185759 [0,1,0,1,0,0|2,0,0]=4 3077 B13R1.9 CCCCCSc1ccc(cn1)Br 62a_100000210326_100000686858 [0,1,0,1,0,0|2,0,0]=4 3078 B13R1.9 CCCCCSc1ccc(cn1)Br 62a_100000686858_100000210326 [0,1,0,1,0,0|2,0,0]=4 3079 B13R1.9 CCCCCSc1ccc(cn1)C 62a_100000210326_100000754016 [0,1,0,1,0,0|2,0,0]=4 3080 B13R1.9 CCCCCSc1ccc(cn1)C 62a_100011192072_100000210326 [0,1,0,1,0,0|2,0,0]=4 3081 B13R1.9 CCCCCSc1ccc(cn1)Cl 62a_100000210326_100011356976 [0,1,0,1,0,0|2,0,0]=4 3082 B13R1.9 CCCCCSc1ccc(cn1)Cl 62a_100011356976_100000210326 [0,1,0,1,0,0|2,0,0]=4 3083 B13R1.9 CCCCCSc1ccc(cn1)F 62a_100000210326_100000744514 [0,1,0,1,0,0|2,0,0]=4 3084 B13R1.9 CCCCCSc1ccc(cn1)F 62a_100000744514_100000210326 [0,1,0,1,0,0|2,0,0]=4 3085 B13R1.9 CCCCCSc1ccc(cn1)N 62a_100000210326_100000737798 [0,1,0,1,0,0|2,0,0]=4 3086 B13R1.9 CCCCCSc1ccc(cn1)N 62a_100000737798_100000210326 [0,1,0,1,0,0|2,0,0]=4 3087 B13R1.9 CCCCCSc1ccc(cn1)O 62a_100000210326_100000744096 [0,1,0,1,0,0|2,0,0]=4 3088 B13R1.9 CCCCCSc1ccc(cn1)O 62a_100000685995_100000210326 [0,1,0,1,0,0|2,0,0]=4 3089 B13R1.9 CCCCNCc1ccc(cc1)Br 207a_100000102301_100000186029 [0,1,0,1,0,0|2,0,0]=4 3090 B13R1.9 CCCCNCc1ccc(cc1)Br 2230a_100000102301_100011217064 [0,1,0,1,0,0|2,0,0]=4 3091 B13R1.9 CCCCNCc1ccc(cc1)Br 2230a_100000174875_100000210211 [0,1,0,1,0,0|2,0,0]=4 3092 B13R1.9 CCCCNCc1ccc(cc1)Br 270004a_100000102301_100000186029 [0,1,0,1,0,0|2,0,0]=4 3093 B13R1.9 CCCCNCc1ccc(cc1)Br 34a_100000174875_100000210210 [0,1,0,1,0,0|2,0,0]=4 3094 B13R1.9 CCCCNCc1ccc(cc1)Br 7a_106832991798_100011217064 [0,1,0,1,0,0|2,0,0]=4 3095 B13R1.9 CCCCNCc1ccc(cc1)C 207a_100000102301_100000211033 [0,1,0,1,0,0|2,0,0]=4 3096 B13R1.9 CCCCNCc1ccc(cc1)C 2230a_100000102301_100000210814 [0,1,0,1,0,0|2,0,0]=4 3097 B13R1.9 CCCCNCc1ccc(cc1)C 2230a_100000174908_100000210211 [0,1,0,1,0,0|2,0,0]=4 3098 B13R1.9 CCCCNCc1ccc(cc1)C 270004a_100000102301_100000211033 [0,1,0,1,0,0|2,0,0]=4 3099 B13R1.9 CCCCNCc1ccc(cc1)C 34a_100000174908_100000210210 [0,1,0,1,0,0|2,0,0]=4 3100 B13R1.9 CCCCNCc1ccc(cc1)C 7a_106832991798_100000210814 [0,1,0,1,0,0|2,0,0]=4 3101 B13R1.9 CCCCNCc1ccc(cc1)Cl 207a_100000102301_100000189385 [0,1,0,1,0,0|2,0,0]=4 3102 B13R1.9 CCCCNCc1ccc(cc1)Cl 2230a_100000102301_100000694040 [0,1,0,1,0,0|2,0,0]=4 3103 B13R1.9 CCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210211 [0,1,0,1,0,0|2,0,0]=4 3104 B13R1.9 CCCCNCc1ccc(cc1)Cl 270004a_100000102301_100000189385 [0,1,0,1,0,0|2,0,0]=4 3105 B13R1.9 CCCCNCc1ccc(cc1)Cl 34a_100000174871_100000210210 [0,1,0,1,0,0|2,0,0]=4 3106 B13R1.9 CCCCNCc1ccc(cc1)Cl 7a_106832991798_100000187161 [0,1,0,1,0,0|2,0,0]=4 3107 B13R1.9 CCCCNCc1ccc(cc1)F 207a_100000102301_100000210084 [0,1,0,1,0,0|2,0,0]=4 3108 B13R1.9 CCCCNCc1ccc(cc1)F 2230a_100000102301_100000198546 [0,1,0,1,0,0|2,0,0]=4 3109 B13R1.9 CCCCNCc1ccc(cc1)F 2230a_100000174882_100000210211 [0,1,0,1,0,0|2,0,0]=4 3110 B13R1.9 CCCCNCc1ccc(cc1)F 270004a_100000102301_100000210084 [0,1,0,1,0,0|2,0,0]=4 3111 B13R1.9 CCCCNCc1ccc(cc1)F 34a_100000174882_100000210210 [0,1,0,1,0,0|2,0,0]=4 3112 B13R1.9 CCCCNCc1ccc(cc1)F 7a_106832991798_100000198546 [0,1,0,1,0,0|2,0,0]=4 3113 B13R1.9 CCCCNCc1ccc(cc1)I 207a_100000102301_100000188517 [0,1,0,1,0,0|2,0,0]=4 3114 B13R1.9 CCCCNCc1ccc(cc1)I 2230a_100000102301_100000189116 [0,1,0,1,0,0|2,0,0]=4 3115 B13R1.9 CCCCNCc1ccc(cc1)I 2230a_100016989417_100000210211 [0,1,0,1,0,0|2,0,0]=4 3116 B13R1.9 CCCCNCc1ccc(cc1)I 34a_100016989417_100000210210 [0,1,0,1,0,0|2,0,0]=4 3117 B13R1.9 CCCCNCc1ccc(cc1)I 7a_106832991798_100000189116 [0,1,0,1,0,0|2,0,0]=4 3118 B13R1.9 CCCCNCc1ccc(cc1)O 271570a_203496583355_100015187156 [0,1,0,1,0,0|2,0,0]=4 3119 B13R1.9 CCCCNCc1ccc(cc1)O 34a_100000185549_100000210210 [0,1,0,1,0,0|2,0,0]=4 3120 B13R1.9 CCCCNCc1ccc(cn1)Br 207a_100000102301_100000754260 [0,1,0,1,0,0|2,0,0]=4 3121 B13R1.9 CCCCNCc1ccc(cn1)Br 2230a_100000102301_100000702658 [0,1,0,1,0,0|2,0,0]=4 3122 B13R1.9 CCCCNCc1ccc(cn1)Br 270004a_100000102301_100000754260 [0,1,0,1,0,0|2,0,0]=4 3123 B13R1.9 CCCCNCc1ccc(cn1)Br 34a_100015188789_100000210210 [0,1,0,1,0,0|2,0,0]=4 3124 B13R1.9 CCCCNCc1ccc(cn1)Br 7a_106832991798_100000702658 [0,1,0,1,0,0|2,0,0]=4 3125 B13R1.9 CCCCNCc1ccc(cn1)C 207a_100000102301_100000050478 [0,1,0,1,0,0|2,0,0]=4 3126 B13R1.9 CCCCNCc1ccc(cn1)C 2230a_100000102301_100000691093 [0,1,0,1,0,0|2,0,0]=4 3127 B13R1.9 CCCCNCc1ccc(cn1)C 270004a_100000102301_100000050478 [0,1,0,1,0,0|2,0,0]=4 3128 B13R1.9 CCCCNCc1ccc(cn1)C 34a_100015187455_100000210210 [0,1,0,1,0,0|2,0,0]=4 3129 B13R1.9 CCCCNCc1ccc(cn1)C 7a_106832991798_100000691093 [0,1,0,1,0,0|2,0,0]=4 3130 B13R1.9 CCCCNCc1ccc(cn1)Cl 207a_100000102301_100011361569 [0,1,0,1,0,0|2,0,0]=4 3131 B13R1.9 CCCCNCc1ccc(cn1)Cl 2230a_100000102301_100012066911 [0,1,0,1,0,0|2,0,0]=4 3132 B13R1.9 CCCCNCc1ccc(cn1)Cl 270004a_100000102301_100011361569 [0,1,0,1,0,0|2,0,0]=4 3133 B13R1.9 CCCCNCc1ccc(cn1)Cl 34a_100000697193_100000210210 [0,1,0,1,0,0|2,0,0]=4 3134 B13R1.9 CCCCNCc1ccc(cn1)Cl 7a_106832991798_100012066911 [0,1,0,1,0,0|2,0,0]=4 3135 B13R1.9 CCCCNCc1ccc(cn1)F 207a_100000102301_100011934744 [0,1,0,1,0,0|2,0,0]=4 3136 B13R1.9 CCCCNCc1ccc(cn1)F 2230a_100000102301_100000703193 [0,1,0,1,0,0|2,0,0]=4 3137 B13R1.9 CCCCNCc1ccc(cn1)F 270004a_100000102301_100011934744 [0,1,0,1,0,0|2,0,0]=4 3138 B13R1.9 CCCCNCc1ccc(cn1)F 34a_100020620131_100000210210 [0,1,0,1,0,0|2,0,0]=4 3139 B13R1.9 CCCCNCc1ccc(cn1)F 7a_106832991798_100000703193 [0,1,0,1,0,0|2,0,0]=4 3140 B13R1.9 CCCCOCc1ccc(cc1)Br 34a_100000210227_100000189115 [0,1,0,1,0,0|2,0,0]=4 3141 B13R1.9 CCCCOCc1ccc(cc1)Br 34a_100000695286_100000210210 [0,1,0,1,0,0|2,0,0]=4 3142 B13R1.9 CCCCOCc1ccc(cc1)Br 7a_100000210227_100011217064 [0,1,0,1,0,0|2,0,0]=4 3143 B13R1.9 CCCCOCc1ccc(cc1)C 34a_100000210227_100000210814 [0,1,0,1,0,0|2,0,0]=4 3144 B13R1.9 CCCCOCc1ccc(cc1)C 34a_100011215236_100000210210 [0,1,0,1,0,0|2,0,0]=4 3145 B13R1.9 CCCCOCc1ccc(cc1)C 7a_100000210227_100000210814 [0,1,0,1,0,0|2,0,0]=4 3146 B13R1.9 CCCCOCc1ccc(cc1)C 7a_100011215236_100000210211 [0,1,0,1,0,0|2,0,0]=4 3147 B13R1.9 CCCCOCc1ccc(cc1)Cl 34a_100000210227_100000694040 [0,1,0,1,0,0|2,0,0]=4 3148 B13R1.9 CCCCOCc1ccc(cc1)Cl 34a_100000211118_100000210210 [0,1,0,1,0,0|2,0,0]=4 3149 B13R1.9 CCCCOCc1ccc(cc1)Cl 7a_100000210227_100000187161 [0,1,0,1,0,0|2,0,0]=4 3150 B13R1.9 CCCCOCc1ccc(cc1)Cl 7a_100000211118_100000210211 [0,1,0,1,0,0|2,0,0]=4 3151 B13R1.9 CCCCOCc1ccc(cc1)F 34a_100000210227_100000198546 [0,1,0,1,0,0|2,0,0]=4 3152 B13R1.9 CCCCOCc1ccc(cc1)F 34a_100000210977_100000210210 [0,1,0,1,0,0|2,0,0]=4 3153 B13R1.9 CCCCOCc1ccc(cc1)F 7a_100000210227_100000198546 [0,1,0,1,0,0|2,0,0]=4 3154 B13R1.9 CCCCOCc1ccc(cc1)F 7a_100000210977_100000210211 [0,1,0,1,0,0|2,0,0]=4 3155 B13R1.9 CCCCOCc1ccc(cc1)I 34a_100000210227_100000189116 [0,1,0,1,0,0|2,0,0]=4 3156 B13R1.9 CCCCOCc1ccc(cc1)I 34a_100000690907_100000210210 [0,1,0,1,0,0|2,0,0]=4 3157 B13R1.9 CCCCOCc1ccc(cc1)I 7a_100000210227_100000189116 [0,1,0,1,0,0|2,0,0]=4 3158 B13R1.9 CCCCOCc1ccc(cc1)I 7a_100000690907_100000210211 [0,1,0,1,0,0|2,0,0]=4 3159 B13R1.9 CCCCOCc1ccc(cc1)N 34a_100011215238_100000210210 [0,1,0,1,0,0|2,0,0]=4 3160 B13R1.9 CCCCOCc1ccc(cn1)Br 34a_100000210227_100000702658 [0,1,0,1,0,0|2,0,0]=4 3161 B13R1.9 CCCCOCc1ccc(cn1)Br 34a_100000754261_100000210210 [0,1,0,1,0,0|2,0,0]=4 3162 B13R1.9 CCCCOCc1ccc(cn1)Br 7a_100000210227_100000702658 [0,1,0,1,0,0|2,0,0]=4 3163 B13R1.9 CCCCOCc1ccc(cn1)C 34a_100000210227_100000691093 [0,1,0,1,0,0|2,0,0]=4 3164 B13R1.9 CCCCOCc1ccc(cn1)C 34a_100012001401_100000210210 [0,1,0,1,0,0|2,0,0]=4 3165 B13R1.9 CCCCOCc1ccc(cn1)C 7a_100000210227_100000691093 [0,1,0,1,0,0|2,0,0]=4 3166 B13R1.9 CCCCOCc1ccc(cn1)Cl 34a_100000210227_100012066911 [0,1,0,1,0,0|2,0,0]=4 3167 B13R1.9 CCCCOCc1ccc(cn1)Cl 34a_100000703999_100000210210 [0,1,0,1,0,0|2,0,0]=4 3168 B13R1.9 CCCCOCc1ccc(cn1)Cl 7a_100000210227_100012066911 [0,1,0,1,0,0|2,0,0]=4 3169 B13R1.9 CCCCOCc1ccc(cn1)F 34a_100000210227_100000703193 [0,1,0,1,0,0|2,0,0]=4 3170 B13R1.9 CCCCOCc1ccc(cn1)F 34a_100011999454_100000210210 [0,1,0,1,0,0|2,0,0]=4 3171 B13R1.9 CCCCOCc1ccc(cn1)F 7a_100000210227_100000703193 [0,1,0,1,0,0|2,0,0]=4 3172 B13R1.9 CCCCOCc1ccc(cn1)N 34a_100011998161_100000210210 [0,1,0,1,0,0|2,0,0]=4 3173 B13R1.9 CCCCSCc1ccc(cc1)Br 62a_100000189115_100000210210 [0,1,0,1,0,0|2,0,0]=4 3174 B13R1.9 CCCCSCc1ccc(cc1)Br 62a_100000210211_100000189115 [0,1,0,1,0,0|2,0,0]=4 3175 B13R1.9 CCCCSCc1ccc(cc1)C 62a_100000210211_100000210814 [0,1,0,1,0,0|2,0,0]=4 3176 B13R1.9 CCCCSCc1ccc(cc1)C 62a_100000210814_100000210210 [0,1,0,1,0,0|2,0,0]=4 3177 B13R1.9 CCCCSCc1ccc(cc1)Cl 62a_100000187161_100000210210 [0,1,0,1,0,0|2,0,0]=4 3178 B13R1.9 CCCCSCc1ccc(cc1)Cl 62a_100000210211_100000187161 [0,1,0,1,0,0|2,0,0]=4 3179 B13R1.9 CCCCSCc1ccc(cc1)F 62a_100000198546_100000210210 [0,1,0,1,0,0|2,0,0]=4 3180 B13R1.9 CCCCSCc1ccc(cc1)F 62a_100000210211_100000187164 [0,1,0,1,0,0|2,0,0]=4 3181 B13R1.9 CCCCSCc1ccc(cc1)I 62a_100000189116_100000210210 [0,1,0,1,0,0|2,0,0]=4 3182 B13R1.9 CCCCSCc1ccc(cc1)I 62a_100000210211_100000189116 [0,1,0,1,0,0|2,0,0]=4 3183 B13R1.9 CCCCSCc1ccc(cn1)Br 62a_100000210211_100000702658 [0,1,0,1,0,0|2,0,0]=4 3184 B13R1.9 CCCCSCc1ccc(cn1)Br 62a_100000702658_100000210210 [0,1,0,1,0,0|2,0,0]=4 3185 B13R1.9 CCCCSCc1ccc(cn1)C 62a_100000210211_100000691093 [0,1,0,1,0,0|2,0,0]=4 3186 B13R1.9 CCCCSCc1ccc(cn1)C 62a_100000691093_100000210210 [0,1,0,1,0,0|2,0,0]=4 3187 B13R1.9 CCCCSCc1ccc(cn1)Cl 62a_100000210211_100000697101 [0,1,0,1,0,0|2,0,0]=4 3188 B13R1.9 CCCCSCc1ccc(cn1)Cl 62a_100012066911_100000210210 [0,1,0,1,0,0|2,0,0]=4 3189 B13R1.9 CCCCSCc1ccc(cn1)F 62a_100000210211_100000703193 [0,1,0,1,0,0|2,0,0]=4 3190 B13R1.9 CCCCSCc1ccc(cn1)F 62a_100000703193_100000210210 [0,1,0,1,0,0|2,0,0]=4 3191 B13R1.9 CCCNCCc1ccc(cc1)Br 2230a_100000755846_100000210303 [0,1,0,1,0,0|2,0,0]=4 3192 B13R1.9 CCCNCCc1ccc(cc1)Br 34a_100000755846_100000210303 [0,1,0,1,0,0|2,0,0]=4 3193 B13R1.9 CCCNCCc1ccc(cc1)C 2230a_100000705350_100000210303 [0,1,0,1,0,0|2,0,0]=4 3194 B13R1.9 CCCNCCc1ccc(cc1)C 34a_100000705350_100000210303 [0,1,0,1,0,0|2,0,0]=4 3195 B13R1.9 CCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210303 [0,1,0,1,0,0|2,0,0]=4 3196 B13R1.9 CCCNCCc1ccc(cc1)Cl 34a_100000185265_100000210303 [0,1,0,1,0,0|2,0,0]=4 3197 B13R1.9 CCCNCCc1ccc(cc1)F 2230a_100000199005_100000210303 [0,1,0,1,0,0|2,0,0]=4 3198 B13R1.9 CCCNCCc1ccc(cc1)F 34a_100000199005_100000210303 [0,1,0,1,0,0|2,0,0]=4 3199 B13R1.9 CCCNCCc1ccc(cc1)O 34a_100000743037_100000210303 [0,1,0,1,0,0|2,0,0]=4 3200 B13R1.9 CCCOCCc1ccc(cc1)Br 34a_100000210258_100011740612 [0,1,0,1,0,0|2,0,0]=4 3201 B13R1.9 CCCOCCc1ccc(cc1)Br 34a_100000766406_100000210303 [0,1,0,1,0,0|2,0,0]=4 3202 B13R1.9 CCCOCCc1ccc(cc1)Br 7a_100000766406_100000210303 [0,1,0,1,0,0|2,0,0]=4 3203 B13R1.9 CCCOCCc1ccc(cc1)C 34a_100000210258_100011713686 [0,1,0,1,0,0|2,0,0]=4 3204 B13R1.9 CCCOCCc1ccc(cc1)C 34a_100000756670_100000210303 [0,1,0,1,0,0|2,0,0]=4 3205 B13R1.9 CCCOCCc1ccc(cc1)C 7a_100000756670_100000210303 [0,1,0,1,0,0|2,0,0]=4 3206 B13R1.9 CCCOCCc1ccc(cc1)Cl 34a_100000210258_100011713675 [0,1,0,1,0,0|2,0,0]=4 3207 B13R1.9 CCCOCCc1ccc(cc1)Cl 34a_100011219627_100000210303 [0,1,0,1,0,0|2,0,0]=4 3208 B13R1.9 CCCOCCc1ccc(cc1)Cl 7a_100011219627_100000210303 [0,1,0,1,0,0|2,0,0]=4 3209 B13R1.9 CCCOCCc1ccc(cc1)F 34a_100000210258_100011217392 [0,1,0,1,0,0|2,0,0]=4 3210 B13R1.9 CCCOCCc1ccc(cc1)F 34a_100000754732_100000210303 [0,1,0,1,0,0|2,0,0]=4 3211 B13R1.9 CCCOCCc1ccc(cc1)F 7a_100000754732_100000210303 [0,1,0,1,0,0|2,0,0]=4 3212 B13R1.9 CCCOCCc1ccc(cc1)I 34a_100012291149_100000210303 [0,1,0,1,0,0|2,0,0]=4 3213 B13R1.9 CCCOCCc1ccc(cc1)I 7a_100012291149_100000210303 [0,1,0,1,0,0|2,0,0]=4 3214 B13R1.9 CCCOCCc1ccc(cc1)N 34a_100011204434_100000210303 [0,1,0,1,0,0|2,0,0]=4 3215 B13R1.9 CCCOCCc1ccc(cn1)Br 34a_100012357577_100000210303 [0,1,0,1,0,0|2,0,0]=4 3216 B13R1.9 CCCSCCc1ccc(cc1)Br 62a_100000210303_100011740612 [0,1,0,1,0,0|2,0,0]=4 3217 B13R1.9 CCCSCCc1ccc(cc1)Br 62a_100011740612_100000210303 [0,1,0,1,0,0|2,0,0]=4 3218 B13R1.9 CCCSCCc1ccc(cc1)C 62a_100000210303_100011713686 [0,1,0,1,0,0|2,0,0]=4 3219 B13R1.9 CCCSCCc1ccc(cc1)C 62a_100011713686_100000210303 [0,1,0,1,0,0|2,0,0]=4 3220 B13R1.9 CCCSCCc1ccc(cc1)Cl 62a_100000210303_100011713675 [0,1,0,1,0,0|2,0,0]=4 3221 B13R1.9 CCCSCCc1ccc(cc1)Cl 62a_100011713675_100000210303 [0,1,0,1,0,0|2,0,0]=4 3222 B13R1.9 CCCSCCc1ccc(cc1)F 62a_100000210303_100011217392 [0,1,0,1,0,0|2,0,0]=4 3223 B13R1.9 CCCSCCc1ccc(cc1)F 62a_100011217392_100000210303 [0,1,0,1,0,0|2,0,0]=4 3224 B13R1.9 CCCSCCc1ccc(cc1)O 62a_100000210303_100009816426 [0,1,0,1,0,0|2,0,0]=4 3225 B13R1.9 CCCSCCc1ccc(cc1)O 62a_100009816426_100000210303 [0,1,0,1,0,0|2,0,0]=4 3226 B13R1.9 CCNCCCc1ccc(cc1)Br 2230a_100011297623_100000210202 [0,1,0,1,0,0|2,0,0]=4 3227 B13R1.9 CCNCCCc1ccc(cc1)Br 2230a_100015525214_100011713682 [0,1,0,1,0,0|2,0,0]=4 3228 B13R1.9 CCNCCCc1ccc(cc1)Br 34a_100011297623_100000210202 [0,1,0,1,0,0|2,0,0]=4 3229 B13R1.9 CCNCCCc1ccc(cc1)C 2230a_100011236272_100000210202 [0,1,0,1,0,0|2,0,0]=4 3230 B13R1.9 CCNCCCc1ccc(cc1)C 34a_100011236272_100000210202 [0,1,0,1,0,0|2,0,0]=4 3231 B13R1.9 CCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000210202 [0,1,0,1,0,0|2,0,0]=4 3232 B13R1.9 CCNCCCc1ccc(cc1)Cl 2230a_100015525214_100000759440 [0,1,0,1,0,0|2,0,0]=4 3233 B13R1.9 CCNCCCc1ccc(cc1)Cl 34a_100000748451_100000210202 [0,1,0,1,0,0|2,0,0]=4 3234 B13R1.9 CCNCCCc1ccc(cc1)F 2230a_100015525214_200011713563 [0,1,0,1,0,0|2,0,0]=4 3235 B13R1.9 CCNCCCc1ccc(cc1)F 2230a_100025745824_100000210202 [0,1,0,1,0,0|2,0,0]=4 3236 B13R1.9 CCNCCCc1ccc(cc1)F 34a_100025745824_100000210202 [0,1,0,1,0,0|2,0,0]=4 3237 B13R1.9 CCOCCCc1ccc(cc1)Br 34a_100011709247_100000210202 [0,1,0,1,0,0|2,0,0]=4 3238 B13R1.9 CCOCCCc1ccc(cc1)Br 34a_100121572206_100011713682 [0,1,0,1,0,0|2,0,0]=4 3239 B13R1.9 CCOCCCc1ccc(cc1)Br 7a_100011709247_100000210202 [0,1,0,1,0,0|2,0,0]=4 3240 B13R1.9 CCOCCCc1ccc(cc1)C 34a_100000189427_100000210202 [0,1,0,1,0,0|2,0,0]=4 3241 B13R1.9 CCOCCCc1ccc(cc1)C 7a_100000189427_100000210202 [0,1,0,1,0,0|2,0,0]=4 3242 B13R1.9 CCOCCCc1ccc(cc1)Cl 34a_100011217485_100000210202 [0,1,0,1,0,0|2,0,0]=4 3243 B13R1.9 CCOCCCc1ccc(cc1)Cl 34a_100121572206_100000759440 [0,1,0,1,0,0|2,0,0]=4 3244 B13R1.9 CCOCCCc1ccc(cc1)Cl 7a_100011217485_100000210202 [0,1,0,1,0,0|2,0,0]=4 3245 B13R1.9 CCOCCCc1ccc(cc1)F 34a_100000757351_100000210202 [0,1,0,1,0,0|2,0,0]=4 3246 B13R1.9 CCOCCCc1ccc(cc1)F 34a_100121572206_200011713563 [0,1,0,1,0,0|2,0,0]=4 3247 B13R1.9 CCOCCCc1ccc(cc1)F 7a_100000757351_100000210202 [0,1,0,1,0,0|2,0,0]=4 3248 B13R1.9 CCSCCCc1ccc(cc1)Br 62a_100000210202_100011713682 [0,1,0,1,0,0|2,0,0]=4 3249 B13R1.9 CCSCCCc1ccc(cc1)Br 62a_100011713682_100000210202 [0,1,0,1,0,0|2,0,0]=4 3250 B13R1.9 CCSCCCc1ccc(cc1)Cl 62a_100000210202_100000759440 [0,1,0,1,0,0|2,0,0]=4 3251 B13R1.9 CCSCCCc1ccc(cc1)Cl 62a_100000759440_100000210202 [0,1,0,1,0,0|2,0,0]=4 3252 B13R1.9 CCSCCCc1ccc(cc1)F 62a_100000210202_200011713563 [0,1,0,1,0,0|2,0,0]=4 3253 B13R1.9 CCSCCCc1ccc(cc1)F 62a_200011713563_100000210202 [0,1,0,1,0,0|2,0,0]=4 3254 B13R1.9 CNCCCCc1ccc(cc1)Br 2230a_106832991635_200012094861 [0,1,0,1,0,0|2,0,0]=4 3255 B13R1.9 CNCCCCc1ccc(cc1)Br 34a_100102657272_200012094861 [0,1,0,1,0,0|2,0,0]=4 3256 B13R1.9 CNCCCCc1ccc(cc1)Br 7a_106832991635_200012094861 [0,1,0,1,0,0|2,0,0]=4 3257 B13R1.9 CNCCCCc1ccc(cc1)Cl 2230a_100160821348_200000210301 [0,1,0,1,0,0|2,0,0]=4 3258 B13R1.9 CNCCCCc1ccc(cc1)Cl 34a_100160821348_200000210301 [0,1,0,1,0,0|2,0,0]=4 3259 B13R1.9 CNCCCCc1ccc(cc1)F 2230a_106832991635_100012093538 [0,1,0,1,0,0|2,0,0]=4 3260 B13R1.9 CNCCCCc1ccc(cc1)F 34a_100102657272_100012093538 [0,1,0,1,0,0|2,0,0]=4 3261 B13R1.9 CNCCCCc1ccc(cc1)F 7a_106832991635_100012093538 [0,1,0,1,0,0|2,0,0]=4 3262 B13R1.9 COCCCCc1ccc(cc1)Br 34a_100138415774_200012094861 [0,1,0,1,0,0|2,0,0]=4 3263 B13R1.9 COCCCCc1ccc(cc1)F 34a_100138415774_100012093538 [0,1,0,1,0,0|2,0,0]=4 3264 B13R1.9 CSCCCCc1ccc(cc1)Br 62a_200000210301_200012094861 [0,1,0,1,0,0|2,0,0]=4 3265 B13R1.9 CSCCCCc1ccc(cc1)Br 62a_200012094861_200000210301 [0,1,0,1,0,0|2,0,0]=4 3266 B13R1.9 CSCCCCc1ccc(cc1)F 62a_100012093538_200000210301 [0,1,0,1,0,0|2,0,0]=4 3267 B13R1.9 CSCCCCc1ccc(cc1)F 62a_200000210301_100012093538 [0,1,0,1,0,0|2,0,0]=4 3268 B13R1.9 [13CH3]NCCCCc1ccc(cc1)Cl 2230a_100160821348_200025704644 [0,1,0,1,0,0|2,0,0]=4 3269 B13R1.9 [13CH3]NCCCCc1ccc(cc1)Cl 34a_100160821348_200025704644 [0,1,0,1,0,0|2,0,0]=4 3270 B13R1.9 [13CH3]SCCCCc1ccc(cc1)Br 62a_200012094861_200025704644 [0,1,0,1,0,0|2,0,0]=4 3271 B13R1.9 [13CH3]SCCCCc1ccc(cc1)Br 62a_200025704644_200012094861 [0,1,0,1,0,0|2,0,0]=4 3272 B13R1.9 [13CH3]SCCCCc1ccc(cc1)F 62a_100012093538_200025704644 [0,1,0,1,0,0|2,0,0]=4 3273 B13R1.9 [13CH3]SCCCCc1ccc(cc1)F 62a_200025704644_100012093538 [0,1,0,1,0,0|2,0,0]=4 3274 B13R1.528 CCC(=O)CCn1ccccc1=O 1458a_100000738505_100000210202 [0,1,0,1,0,0|1,0,1]=4 3275 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200010759516_200025704644 [0,1,0,1,0,0|2,0,0]=4 3276 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200025704644_200010759516 [0,1,0,1,0,0|2,0,0]=4 3277 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100000210414_100000211621 [0,1,0,1,0,0|1,0,1]=4 3278 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210202 [0,1,0,1,0,0|1,0,1]=4 3279 B13R1.718 CCC(=O)CCCc1ccccn1 1458a_100000752327_100000210202 [0,1,0,1,0,0|1,0,1]=4 3280 B13R1.718 CCC(C)CNCc1ccccc1 207a_100020588543_100015611070 [0,1,0,1,0,0|2,0,0]=4 3281 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100015324214_100000748023 [0,1,0,1,0,0|2,0,0]=4 3282 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100020588543_100015291786 [0,1,0,1,0,0|2,0,0]=4 3283 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100015324214_100000243153 [0,1,0,1,0,0|2,0,0]=4 3284 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100020588543_100015611070 [0,1,0,1,0,0|2,0,0]=4 3285 B13R1.718 CCC(C)CNCc1ccccc1 34a_100015324214_100000748023 [0,1,0,1,0,0|2,0,0]=4 3286 B13R1.718 CCC(C)CNCc1ccccn1 207a_100020588543_100000209966 [0,1,0,1,0,0|2,0,0]=4 3287 B13R1.718 CCC(C)CNCc1ccccn1 2230a_100020588543_100000721315 [0,1,0,1,0,0|2,0,0]=4 3288 B13R1.718 CCC(C)CNCc1ccccn1 270004a_100000210449_100000243153 [0,1,0,1,0,0|2,0,0]=4 3289 B13R1.718 CCC(C)CNCc1ccccn1 270004a_100020588543_100000209966 [0,1,0,1,0,0|2,0,0]=4 3290 B13R1.718 CCC(C)COCc1ccccc1 34a_100000210790_100000748023 [0,1,0,1,0,0|2,0,0]=4 3291 B13R1.718 CCC(C)COCc1ccccc1 7a_100000210790_100000748023 [0,1,0,1,0,0|2,0,0]=4 3292 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000211182_100000748023 [0,1,0,1,0,0|2,0,0]=4 3293 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000748023_100015291786 [0,1,0,1,0,0|2,0,0]=4 3294 B13R1.718 CCC(C)CSCc1ccccn1 62a_100000721315_100000748023 [0,1,0,1,0,0|2,0,0]=4 3295 B13R1.718 CCC(C)CSCc1ccccn1 62a_100000748023_100000721315 [0,1,0,1,0,0|2,0,0]=4 3296 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000106460_100000758301 [0,1,0,1,0,0|2,0,0]=4 3297 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000209981_100000765856 [0,1,0,1,0,0|2,0,0]=4 3298 B13R1.718 CCC(C)NCCc1ccccc1 34a_100000106460_100011215416 [0,1,0,1,0,0|2,0,0]=4 3299 B13R1.718 CCC(C)NCCc1ccccn1 2230a_100000209981_100015183660 [0,1,0,1,0,0|2,0,0]=4 3300 B13R1.718 CCC(C)OCCc1ccccc1 34a_100000210268_100011215416 [0,1,0,1,0,0|2,0,0]=4 3301 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210228_100000765856 [0,1,0,1,0,0|2,0,0]=4 3302 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210268_100000758301 [0,1,0,1,0,0|2,0,0]=4 3303 B13R1.718 CCC(C)OCCc1ccccn1 34a_100000210271_100011215416 [0,1,0,1,0,0|2,0,0]=4 3304 B13R1.718 CCC(C)OCCc1ccccn1 7a_100000210228_100015183660 [0,1,0,1,0,0|2,0,0]=4 3305 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000758301_100011218657 [0,1,0,1,0,0|2,0,0]=4 3306 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000765856_100000758301 [0,1,0,1,0,0|2,0,0]=4 3307 B13R1.718 CCC(C)SCCc1ccccn1 62a_100000758301_100015183660 [0,1,0,1,0,0|2,0,0]=4 3308 B13R1.718 CCC(C)SCCc1ccccn1 62a_100015183660_100000758301 [0,1,0,1,0,0|2,0,0]=4 3309 B13R1.718 CCC(O)CNCc1ccccc1 207a_100011218483_100015611070 [0,1,0,1,0,0|2,0,0]=4 3310 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100011218483_100015291786 [0,1,0,1,0,0|2,0,0]=4 3311 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100015324214_100011218378 [0,1,0,1,0,0|2,0,0]=4 3312 B13R1.718 CCC(O)CNCc1ccccc1 270004a_100011218483_100015611070 [0,1,0,1,0,0|2,0,0]=4 3313 B13R1.718 CCC(O)CNCc1ccccc1 34a_100015324214_100011218378 [0,1,0,1,0,0|2,0,0]=4 3314 B13R1.718 CCC(O)CNCc1ccccn1 207a_100011218483_100000209966 [0,1,0,1,0,0|2,0,0]=4 3315 B13R1.718 CCC(O)CNCc1ccccn1 2230a_100011218483_100000721315 [0,1,0,1,0,0|2,0,0]=4 3316 B13R1.718 CCC(O)CNCc1ccccn1 270004a_100011218483_100000209966 [0,1,0,1,0,0|2,0,0]=4 3317 B13R1.718 CCC(O)COCc1ccccc1 34a_100000210790_100011218378 [0,1,0,1,0,0|2,0,0]=4 3318 B13R1.718 CCC(O)COCc1ccccc1 7a_100000210790_100011218378 [0,1,0,1,0,0|2,0,0]=4 3319 B13R1.718 CCC(O)CSCc1ccccc1 62a_100000211182_100011218378 [0,1,0,1,0,0|2,0,0]=4 3320 B13R1.718 CCC(O)CSCc1ccccc1 62a_100011218378_100015291786 [0,1,0,1,0,0|2,0,0]=4 3321 B13R1.718 CCC(O)CSCc1ccccn1 62a_100000721315_100011218378 [0,1,0,1,0,0|2,0,0]=4 3322 B13R1.718 CCC(O)CSCc1ccccn1 62a_100011218378_100000721315 [0,1,0,1,0,0|2,0,0]=4 3323 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000225621_100000211621 [0,1,0,1,0,0|2,0,0]=4 3324 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000693637_100000210202 [0,1,0,1,0,0|2,0,0]=4 3325 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000225621_100000211621 [0,1,0,1,0,0|2,0,0]=4 3326 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000693637_100000204670 [0,1,0,1,0,0|2,0,0]=4 3327 B13R1.718 CC[C@H](C)CNCc1ccccc1 2230a_100015324214_100009816398 [0,1,0,1,0,0|2,0,0]=4 3328 B13R1.718 CC[C@H](C)CNCc1ccccc1 34a_100015324214_100009816398 [0,1,0,1,0,0|2,0,0]=4 3329 B13R1.718 CC[C@H](C)COCc1ccccc1 34a_100000210790_100009816398 [0,1,0,1,0,0|2,0,0]=4 3330 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100000210790_100009816398 [0,1,0,1,0,0|2,0,0]=4 3331 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100009816381_100000211182 [0,1,0,1,0,0|2,0,0]=4 3332 B13R1.718 CC[C@H](C)COCc1ccccn1 7a_100009816381_100000721315 [0,1,0,1,0,0|2,0,0]=4 3333 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100000211182_100009816398 [0,1,0,1,0,0|2,0,0]=4 3334 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100009816398_100015291786 [0,1,0,1,0,0|2,0,0]=4 3335 B13R1.718 CC[C@H](C)CSCc1ccccn1 62a_100000721315_100009816398 [0,1,0,1,0,0|2,0,0]=4 3336 B13R1.718 CC[C@H](C)CSCc1ccccn1 62a_100009816398_100000721315 [0,1,0,1,0,0|2,0,0]=4 3337 B13R1.718 CNC(C)CCCc1ccccc1 2230a_106832991635_200010759516 [0,1,0,1,0,0|2,0,0]=4 3338 B13R1.718 CNC(C)CCCc1ccccc1 34a_100102657272_200010759516 [0,1,0,1,0,0|2,0,0]=4 3339 B13R1.718 CNC(C)CCCc1ccccc1 7a_106832991635_200010759516 [0,1,0,1,0,0|2,0,0]=4 3340 B13R1.718 COC(C)CCCc1ccccc1 34a_100138415774_200010759516 [0,1,0,1,0,0|2,0,0]=4 3341 B13R1.718 CSC(C)CCCc1ccccc1 62a_200000210301_200010759516 [0,1,0,1,0,0|2,0,0]=4 3342 B13R1.718 CSC(C)CCCc1ccccc1 62a_200010759516_200000210301 [0,1,0,1,0,0|2,0,0]=4 3343 B13R2.1 CCNC1CCc2c1cccc2 2230a_100015525214_200000721974 [0,0,0,2,0,0|2,0,0]=4 3344 B13R2.1 CCNC1CCc2c1cccc2 269862a_100015525214_100000212051 [0,0,0,2,0,0|2,0,0]=4 3345 B13R2.1 CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210202 [0,0,0,2,0,0|2,0,0]=4 3346 B13R2.1 CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210202 [0,0,0,2,0,0|2,0,0]=4 3347 B13R2.1 CCOC1CCc2c1cccc2 34a_100000212247_100000210202 [0,0,0,2,0,0|2,0,0]=4 3348 B13R2.1 CCOC1CCc2c1cccc2 7a_100000212247_100000210202 [0,0,0,2,0,0|2,0,0]=4 3349 B13R2.1 CCSC1CCc2c1cccc2 62a_100000210202_200000721974 [0,0,0,2,0,0|2,0,0]=4 3350 B13R2.1 CNCC1CCc2c1cccc2 2230a_100020632452_200000210301 [0,0,0,2,0,0|2,0,0]=4 3351 B13R2.1 CNCC1CCc2c1cccc2 34a_100020632452_200000210301 [0,0,0,2,0,0|2,0,0]=4 3352 B13R2.1 [13CH3]NCC1CCc2c1cccc2 2230a_100020632452_200025704644 [0,0,0,2,0,0|2,0,0]=4 3353 B13R2.1 [13CH3]NCC1CCc2c1cccc2 34a_100020632452_200025704644 [0,0,0,2,0,0|2,0,0]=4 3354 B13R2.15 CN1CCCC1c2ccccc2 2230a_100000243309_200000210301 [0,0,0,2,0,0|2,0,0]=4 3355 B13R2.15 CN1CCCC1c2ccccc2 269982a_100000243309_200000210301 [0,0,0,2,0,0|2,0,0]=4 3356 B13R2.15 CN1CCCC1c2ccccc2 34a_100000243309_200000210301 [0,0,0,2,0,0|2,0,0]=4 3357 B13R2.15 CN1CCCC1c2ccccn2 2230a_100000744244_200000210301 [0,0,0,2,0,0|2,0,0]=4 3358 B13R2.15 CN1CCCC1c2ccccn2 269982a_100000744244_200000210301 [0,0,0,2,0,0|2,0,0]=4 3359 B13R2.15 [13CH3]N1CCCC1c2ccccc2 2230a_100000243309_200025704644 [0,0,0,2,0,0|2,0,0]=4 3360 B13R2.15 [13CH3]N1CCCC1c2ccccc2 269982a_100000243309_200025704644 [0,0,0,2,0,0|2,0,0]=4 3361 B13R2.15 [13CH3]N1CCCC1c2ccccc2 34a_100000243309_200025704644 [0,0,0,2,0,0|2,0,0]=4 3362 B13R2.15 [13CH3]N1CCCC1c2ccccn2 2230a_100000744244_200025704644 [0,0,0,2,0,0|2,0,0]=4 3363 B13R2.15 [13CH3]N1CCCC1c2ccccn2 269982a_100000744244_200025704644 [0,0,0,2,0,0|2,0,0]=4 3364 B13R2.25 CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210202 [0,0,0,2,0,0|2,0,0]=4 3365 B13R2.25 CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210202 [0,0,0,2,0,0|2,0,0]=4 3366 B13R2.25 COCC1CC1c2ccccc2 34a_100011997005_200000210301 [0,0,0,2,0,0|2,0,0]=4 3367 B13R2.25 COCC1CC1c2ccccc2 7a_100011997005_200000210301 [0,0,0,2,0,0|2,0,0]=4 3368 B13R2.25 [13CH3]OCC1CC1c2ccccc2 34a_100011997005_200025704644 [0,0,0,2,0,0|2,0,0]=4 3369 B13R2.25 [13CH3]OCC1CC1c2ccccc2 7a_100011997005_200025704644 [0,0,0,2,0,0|2,0,0]=4 3370 B13R2.27 CC1CCN1Cc2ccccc2 269982a_100000755817_100000211182 [0,0,0,2,0,0|2,0,0]=4 3371 B13R2.27 CC1CCN1Cc2ccccc2 34a_100000755817_100015291786 [0,0,0,2,0,0|2,0,0]=4 3372 B13R2.27 CC1CCN1Cc2ccccn2 269982a_100000755817_100000721315 [0,0,0,2,0,0|2,0,0]=4 3373 B13R2.27 CC1CCN1Cc2ccccn2 34a_100000755817_100000721315 [0,0,0,2,0,0|2,0,0]=4 3374 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210202 [0,0,0,2,0,0|2,0,0]=4 3375 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000204670 [0,0,0,2,0,0|2,0,0]=4 3376 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000210202 [0,0,0,2,0,0|2,0,0]=4 3377 B13R2.56 CCN1CCC1c2ccccc2 2230a_100000739605_100000210202 [0,0,0,2,0,0|2,0,0]=4 3378 B13R2.56 CCN1CCC1c2ccccc2 269982a_100000739605_100000204670 [0,0,0,2,0,0|2,0,0]=4 3379 B13R2.64 c1ccc(cc1)CN2CCCC2 2230a_100000188435_100015291786 [0,0,0,2,0,0|2,0,0]=4 3380 B13R2.64 c1ccc(cc1)CN2CCCC2 269982a_100000188435_100000211182 [0,0,0,2,0,0|2,0,0]=4 3381 B13R2.64 c1ccc(cc1)CN2CCCC2 270004a_100000188435_100015611070 [0,0,0,2,0,0|2,0,0]=4 3382 B13R2.64 c1ccc(cc1)NC2CCCC2 34a_100000106764_100000179811 [0,0,0,2,0,0|2,0,0]=4 3383 B13R2.64 c1ccc(cc1)OC2CCCC2 34a_100000210340_100000179811 [0,0,0,2,0,0|2,0,0]=4 3384 B13R2.64 c1ccc(cc1)OC2CCCC2 7a_100000210340_100000179811 [0,0,0,2,0,0|2,0,0]=4 3385 B13R2.64 c1ccc(cc1)SC2CCCC2 62a_100000719477_100000179811 [0,0,0,2,0,0|2,0,0]=4 3386 B13R2.64 c1ccc(cc1)SC2CCCC2 62a_100011217020_100000041952 [0,0,0,2,0,0|2,0,0]=4 3387 B13R2.64 c1ccc(nc1)CN2CCCC2 2230a_100000188435_100000721315 [0,0,0,2,0,0|2,0,0]=4 3388 B13R2.64 c1ccc(nc1)CN2CCCC2 269982a_100000188435_100000721315 [0,0,0,2,0,0|2,0,0]=4 3389 B13R2.64 c1ccc(nc1)CN2CCCC2 270004a_100000188435_100000209966 [0,0,0,2,0,0|2,0,0]=4 3390 B13R2.64 c1ccc(nc1)SC2CCCC2 62a_100011216584_100000179811 [0,0,0,2,0,0|2,0,0]=4 3391 B13R2.64 c1ccc(nc1)SC2CCCC2 62a_100011217020_100011216584 [0,0,0,2,0,0|2,0,0]=4 3392 B13R2.64 c1coc(c1)SC2CCCCC2 62a_100000210327_100009814098 [0,0,0,2,0,0|1,0,1]=4 3393 B13R2.64 c1coc(c1)SC2CCCCC2 62a_100009814098_100000210327 [0,0,0,2,0,0|1,0,1]=4 3394 B13R2.64 c1csc(c1)SC2CCCCC2 62a_100000210327_100011215356 [0,0,0,2,0,0|1,1,0]=4 3395 B13R2.64 c1csc(c1)SC2CCCCC2 62a_100011215356_100000210327 [0,0,0,2,0,0|1,1,0]=4 3396 B13R2.1028 CCCSC1Cc2c1cccc2 62a_100000210303_100009813401 [0,0,0,2,0,0|2,0,0]=4 3397 B13R2.1028 CCCSC1Cc2c1cccc2 62a_100009813401_100000210303 [0,0,0,2,0,0|2,0,0]=4 3398 B13R2.1028 CCOCC1Cc2c1cccc2 34a_100012476685_100000210202 [0,0,0,2,0,0|2,0,0]=4 3399 B13R2.1028 CCOCC1Cc2c1cccc2 7a_100012476685_100000210202 [0,0,0,2,0,0|2,0,0]=4 3400 B13R2.1613 CNC1CCCc2c1cccc2 269862a_106832991636_100000210882 [0,0,0,2,0,0|2,0,0]=4 3401 B13R2.1613 CNC1CCCc2c1cccn2 269862a_106832991636_100000058033 [0,0,0,2,0,0|2,0,0]=4 3402 B13R2.1613 CN[C@H]1CCCc2c1cccc2 34a_100020654734_200000210301 [0,0,0,2,0,0|2,0,0]=4 3403 B13R2.1613 COC1CCCc2c1cccc2 34a_100000183665_200000210301 [0,0,0,2,0,0|2,0,0]=4 3404 B13R2.1613 COC1CCCc2c1cccc2 7a_100000183665_200000210301 [0,0,0,2,0,0|2,0,0]=4 3405 B13R2.1613 [13CH3]N[C@H]1CCCc2c1cccc2 34a_100020654734_200025704644 [0,0,0,2,0,0|2,0,0]=4 3406 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 34a_100000183665_200025704644 [0,0,0,2,0,0|2,0,0]=4 3407 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 7a_100000183665_200025704644 [0,0,0,2,0,0|2,0,0]=4 3408 B13R2.2382 c1ccc(cc1)CCNC2CC2 34a_100000106460_100000211595 [0,0,0,2,0,0|2,0,0]=4 3409 B13R2.2382 c1ccc(cc1)CCNC2CC2 34a_100000212008_100000765856 [0,0,0,2,0,0|2,0,0]=4 3410 B13R2.2382 c1ccc(cc1)CCOC2CC2 34a_100000210268_100000211595 [0,0,0,2,0,0|2,0,0]=4 3411 B13R2.2382 c1ccc(cc1)CCSC2CC2 62a_100000765856_100000211595 [0,0,0,2,0,0|2,0,0]=4 3412 B13R2.2382 c1ccc(cc1)CNCC2CC2 207a_100000735609_100015611070 [0,0,0,2,0,0|2,0,0]=4 3413 B13R2.2382 c1ccc(cc1)CNCC2CC2 2230a_100000735609_100015291786 [0,0,0,2,0,0|2,0,0]=4 3414 B13R2.2382 c1ccc(cc1)CNCC2CC2 2230a_100015324214_100000742324 [0,0,0,2,0,0|2,0,0]=4 3415 B13R2.2382 c1ccc(cc1)CNCC2CC2 269862a_100015324214_100000741477 [0,0,0,2,0,0|2,0,0]=4 3416 B13R2.2382 c1ccc(cc1)CNCC2CC2 270004a_100000735609_100015611070 [0,0,0,2,0,0|2,0,0]=4 3417 B13R2.2382 c1ccc(cc1)CNCC2CC2 34a_100000735609_100015291786 [0,0,0,2,0,0|2,0,0]=4 3418 B13R2.2382 c1ccc(cc1)CNCC2CC2 34a_100015324214_100000742324 [0,0,0,2,0,0|2,0,0]=4 3419 B13R2.2382 c1ccc(cc1)COCC2CC2 34a_100000210790_100000742324 [0,0,0,2,0,0|2,0,0]=4 3420 B13R2.2382 c1ccc(cc1)COCC2CC2 34a_100000211283_100015291786 [0,0,0,2,0,0|2,0,0]=4 3421 B13R2.2382 c1ccc(cc1)COCC2CC2 7a_100000210790_100000742324 [0,0,0,2,0,0|2,0,0]=4 3422 B13R2.2382 c1ccc(cc1)CSCC2CC2 62a_100000211182_100000742324 [0,0,0,2,0,0|2,0,0]=4 3423 B13R2.2382 c1ccc(cc1)CSCC2CC2 62a_100000756562_100015291786 [0,0,0,2,0,0|2,0,0]=4 3424 B13R2.2382 c1ccc(cc1)NCCC2CC2 34a_100000106764_100000694398 [0,0,0,2,0,0|2,0,0]=4 3425 B13R2.2382 c1ccc(cc1)OCCC2CC2 34a_100000210340_100000694398 [0,0,0,2,0,0|2,0,0]=4 3426 B13R2.2382 c1ccc(cc1)OCCC2CC2 7a_100000210340_100000764125 [0,0,0,2,0,0|2,0,0]=4 3427 B13R2.2382 c1ccc(cc1)SCCC2CC2 62a_100000719477_100000764125 [0,0,0,2,0,0|2,0,0]=4 3428 B13R2.2382 c1ccc(cc1)SCCC2CC2 62a_100000764125_100000041952 [0,0,0,2,0,0|2,0,0]=4 3429 B13R2.2382 c1ccc(nc1)CCOC2CC2 34a_100000210271_100000211595 [0,0,0,2,0,0|2,0,0]=4 3430 B13R2.2382 c1ccc(nc1)CCSC2CC2 62a_100015183660_100000211595 [0,0,0,2,0,0|2,0,0]=4 3431 B13R2.2382 c1ccc(nc1)CNCC2CC2 207a_100000735609_100000209966 [0,0,0,2,0,0|2,0,0]=4 3432 B13R2.2382 c1ccc(nc1)CNCC2CC2 2230a_100000735609_100000721315 [0,0,0,2,0,0|2,0,0]=4 3433 B13R2.2382 c1ccc(nc1)CNCC2CC2 270004a_100000735609_100000209966 [0,0,0,2,0,0|2,0,0]=4 3434 B13R2.2382 c1ccc(nc1)CNCC2CC2 34a_100000735609_100000721315 [0,0,0,2,0,0|2,0,0]=4 3435 B13R2.2382 c1ccc(nc1)COCC2CC2 34a_100000211283_100000721315 [0,0,0,2,0,0|2,0,0]=4 3436 B13R2.2382 c1ccc(nc1)CSCC2CC2 62a_100000721315_100000742324 [0,0,0,2,0,0|2,0,0]=4 3437 B13R2.2382 c1ccc(nc1)CSCC2CC2 62a_100000756562_100000721315 [0,0,0,2,0,0|2,0,0]=4 3438 B13R2.2382 c1ccc(nc1)SCCC2CC2 62a_100000764125_100011216584 [0,0,0,2,0,0|2,0,0]=4 3439 B13R2.2382 c1ccc(nc1)SCCC2CC2 62a_100011216584_100000764125 [0,0,0,2,0,0|2,0,0]=4 3440 B13R2.2383 c1ccc(cc1)CCN2CCC2 269982a_100000754969_100000765856 [0,0,0,2,0,0|2,0,0]=4 3441 B13R2.2383 c1ccc(cc1)CNC2CCC2 2230a_100000749019_100015291786 [0,0,0,2,0,0|2,0,0]=4 3442 B13R2.2383 c1ccc(cc1)CNC2CCC2 270004a_100015324214_100000241760 [0,0,0,2,0,0|2,0,0]=4 3443 B13R2.2383 c1ccc(cc1)CNC2CCC2 34a_100000749019_100015291786 [0,0,0,2,0,0|2,0,0]=4 3444 B13R2.2383 c1ccc(cc1)CNC2CCC2 34a_100015324214_100000749161 [0,0,0,2,0,0|2,0,0]=4 3445 B13R2.2383 c1ccc(cc1)COC2CCC2 34a_100000210790_100000749161 [0,0,0,2,0,0|2,0,0]=4 3446 B13R2.2383 c1ccc(cc1)COC2CCC2 34a_100000748187_100015291786 [0,0,0,2,0,0|2,0,0]=4 3447 B13R2.2383 c1ccc(cc1)CSC2CCC2 62a_100000211182_100000749161 [0,0,0,2,0,0|2,0,0]=4 3448 B13R2.2383 c1ccc(cc1)NCC2CCC2 34a_100000106764_100000763275 [0,0,0,2,0,0|2,0,0]=4 3449 B13R2.2383 c1ccc(cc1)OCC2CCC2 34a_100000210340_100000763275 [0,0,0,2,0,0|2,0,0]=4 3450 B13R2.2383 c1ccc(cc1)OCC2CCC2 7a_100000210340_100000763275 [0,0,0,2,0,0|2,0,0]=4 3451 B13R2.2383 c1ccc(cc1)SCC2CCC2 62a_100000719477_100000763275 [0,0,0,2,0,0|2,0,0]=4 3452 B13R2.2383 c1ccc(cc1)SCC2CCC2 62a_100000763275_100000041952 [0,0,0,2,0,0|2,0,0]=4 3453 B13R2.2383 c1ccc(nc1)CCN2CCC2 269982a_100000754969_100015183660 [0,0,0,2,0,0|2,0,0]=4 3454 B13R2.2383 c1ccc(nc1)CNC2CCC2 2230a_100000749019_100000721315 [0,0,0,2,0,0|2,0,0]=4 3455 B13R2.2383 c1ccc(nc1)CNC2CCC2 270004a_100000210449_100000241760 [0,0,0,2,0,0|2,0,0]=4 3456 B13R2.2383 c1ccc(nc1)CNC2CCC2 34a_100000749019_100000721315 [0,0,0,2,0,0|2,0,0]=4 3457 B13R2.2383 c1ccc(nc1)COC2CCC2 34a_100000748187_100000721315 [0,0,0,2,0,0|2,0,0]=4 3458 B13R2.2383 c1ccc(nc1)CSC2CCC2 62a_100000721315_100000749161 [0,0,0,2,0,0|2,0,0]=4 3459 B13R2.2383 c1ccc(nc1)SCC2CCC2 62a_100000763275_100011216584 [0,0,0,2,0,0|2,0,0]=4 3460 B13R2.2383 c1ccc(nc1)SCC2CCC2 62a_100011216584_100000763275 [0,0,0,2,0,0|2,0,0]=4 3461 B13R2.183 c1coc(c1)SCC2CCCC2 62a_100000740388_100009814098 [0,0,0,2,0,0|1,0,1]=4 3462 B13R2.183 c1coc(c1)SCC2CCCC2 62a_100009814098_100000740388 [0,0,0,2,0,0|1,0,1]=4 3463 B13R2.183 c1csc(c1)SCC2CCCC2 62a_100000740388_100011215356 [0,0,0,2,0,0|1,1,0]=4 3464 B13R2.183 c1csc(c1)SCC2CCCC2 62a_100011215356_100000740388 [0,0,0,2,0,0|1,1,0]=4 3465 B13R2.677 C1=C(CCCCC1)c2ccco2 271570a_200009888920_100009814098 [0,0,0,2,0,0|0,0,2]=4 3466 B13R2.677 C1=C(CCCCC1)c2cccs2 271570a_200009888920_100011215356 [0,0,0,2,0,0|0,1,1]=4