0 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [0,0,0,0,0,0|1,0,3]=4 7 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [0,0,0,0,0,0|1,0,3]=4 8 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [0,0,0,0,0,0|2,0,2]=4 25 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [0,0,0,0,0,0|2,0,2]=4 26 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [0,0,0,0,0,0|2,0,2]=4 27 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.1 CC/C=C\CSCF 62a_100015361967_100103147603 [0,0,0,0,0,0|2,0,2]=4 29 B7R0.1 CC/C=C\CSCF 62a_100103147603_100015361967 [0,0,0,0,0,0|2,0,2]=4 30 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [0,0,0,0,0,0|1,0,3]=4 32 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [0,0,0,0,0,0|1,0,3]=4 33 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [0,0,0,0,0,0|2,0,2]=4 34 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [0,0,0,0,0,0|2,0,2]=4 35 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [0,0,0,0,0,0|2,0,2]=4 36 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [0,0,0,0,0,0|2,0,2]=4 37 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [0,0,0,0,0,0|2,0,2]=4 38 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [0,0,0,0,0,0|2,0,2]=4 39 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [0,0,0,0,0,0|1,0,3]=4 40 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [0,0,0,0,0,0|1,0,3]=4 41 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [0,0,0,0,0,0|1,0,3]=4 42 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [0,0,0,0,0,0|1,0,3]=4 43 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [0,0,0,0,0,0|1,0,3]=4 44 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [0,0,0,0,0,0|1,0,3]=4 45 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [0,0,0,0,0,0|1,0,3]=4 46 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [0,0,0,0,0,0|2,0,2]=4 47 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [0,0,0,0,0,0|2,0,2]=4 48 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [0,0,0,0,0,0|1,0,3]=4 49 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [0,0,0,0,0,0|1,0,3]=4 50 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,0,0,0,0,0|1,0,2]=4 51 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,0,0,0,0,0|1,0,2]=4 52 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,0,0,0,0,0|1,0,2]=4 53 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,0,0,0,0,0|1,0,2]=4 54 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [1,0,0,0,0,0|1,0,2]=4 55 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [1,0,0,0,0,0|1,0,2]=4 56 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,0,0,0,0|1,0,2]=4 57 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,0,0,0,0|1,0,2]=4 58 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,0,0,0,0,0|1,0,2]=4 59 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,0,0,0,0,0|1,0,2]=4 60 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,0,0,0,0,0|1,0,2]=4 61 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,0,0,0,0,0|1,0,2]=4 62 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,0,0,0,0,0|1,0,2]=4 63 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,0,0,0,0,0|1,0,2]=4 64 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,0,0,0,0,0|1,0,2]=4 65 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,0,0,0,0,0|1,0,2]=4 66 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,0,0,0,0,0|1,0,2]=4 67 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,0,0,0,0,0|1,0,2]=4 68 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,0,0,0,0,0|1,0,2]=4 69 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,0,0,0,0,0|1,0,2]=4 70 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,0,0,0,0,0|1,0,2]=4 71 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,0,0,0,0,0|1,0,2]=4 72 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,0,0,0,0,0|1,0,2]=4 73 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,0,0,0,0,0|1,0,2]=4 74 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,0,0,0,0,0|1,0,2]=4 75 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,0,0,0,0,0|1,0,2]=4 76 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,0,0,0,0,0|1,0,2]=4 77 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,0,0,0,0,0|1,0,2]=4 78 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,0,0,0,0,0|1,0,2]=4 79 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,0,0,0,0,0|1,0,2]=4 80 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,0,0,0,0|1,0,2]=4 81 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,0,0,0,0|1,0,2]=4 82 B8R0.1 C#CCC(=O)C=CCC 1458a_100000212282_100000184674 [0,1,0,0,0,0|1,0,2]=4 83 B8R0.1 C/C=C/CC(=O)C=CBr 1458a_100016273825_100102629194 [0,1,0,0,0,0|1,0,2]=4 84 B8R0.1 C/C=C/CC(=O)C=CCl 1458a_200016279998_100102629194 [0,1,0,0,0,0|1,0,2]=4 85 B8R0.1 C/C=C/CC(=O)C=CI 1458a_100016256311_100102629194 [0,1,0,0,0,0|1,0,2]=4 86 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,1,0,0,0,0|1,0,2]=4 87 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [0,1,0,0,0,0|1,0,1]=3 88 B8R0.1 C=CC=CC(=O)CCF 1458a_100016291481_100011217306 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.1 C=CC=CC(=O)NNC 22a_100016993582_100016291481 [0,1,0,0,0,0|3,0,0]=4 91 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [0,1,0,0,0,0|1,0,1]=3 92 B8R0.1 C=CCC(=O)C=COC 1458a_100016268678_100000210623 [0,1,0,0,0,0|2,0,1]=4 93 B8R0.1 CC=CC(=NNCC)C 4a_100000756455_100011218416 [0,1,0,0,0,0|3,0,0]=4 94 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [0,1,0,0,0,0|1,0,2]=4 95 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,1,0,0,0,0|1,0,2]=4 96 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,1,0,0,0,0|2,0,1]=4 99 B8R0.1 CC=CC(=O)NNCC 22a_100000756455_100000210699 [0,1,0,0,0,0|3,0,0]=4 100 B8R0.1 CC=CCC(=O)C=CBr 1458a_100016273825_100000070051 [0,1,0,0,0,0|1,0,2]=4 101 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [0,1,0,0,0,0|1,0,2]=4 102 B8R0.1 CC=CCC(=O)C=CCl 1458a_200016279998_100000070051 [0,1,0,0,0,0|1,0,2]=4 103 B8R0.1 CC=CCC(=O)C=CI 1458a_100016256311_100000070051 [0,1,0,0,0,0|1,0,2]=4 104 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,1,0,0,0,0|1,0,2]=4 105 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,1,0,0,0,0|1,0,2]=4 106 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,1,0,0,0,0|2,0,1]=4 107 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,1,0,0,0,0|2,0,1]=4 108 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,1,0,0,0,0|2,0,1]=4 109 B8R0.1 CCC=CC(=O)CC#N 1458a_100000212282_100011214920 [0,1,0,0,0,0|1,0,2]=4 110 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,1,0,0,0,0|1,0,2]=4 111 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [0,1,0,0,0,0|1,0,2]=4 112 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,1,0,0,0,0|0,0,3]=4 113 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,1,0,0,0,0|2,0,1]=4 114 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,1,0,0,0,0|2,0,1]=4 115 B8R0.1 CCC=CC(=O)NNC 22a_100016993582_100000212282 [0,1,0,0,0,0|3,0,0]=4 116 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [0,1,0,0,0,0|1,0,2]=4 118 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [0,1,0,0,0,0|1,0,2]=4 119 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [0,1,0,0,0,0|1,0,2]=4 120 B8R0.1 CCCNC(=O)C=CBr 1626a_100020643023_100016273825 [0,1,0,0,0,0|2,0,1]=4 121 B8R0.1 CCCNC(=O)C=CBr 240690a_100020643023_100016273825 [0,1,0,0,0,0|2,0,1]=4 122 B8R0.1 CCCNC(=O)C=CCl 11a_100020643023_200016279998 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.1 CCCNC(=O)C=CCl 1626a_100020643023_200016279998 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.1 CCCNC(=O)C=CCl 240690a_100020643023_200016279998 [0,1,0,0,0,0|2,0,1]=4 125 B8R0.1 CCCNC(=O)C=CI 1626a_100020643023_100016256311 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [0,1,0,0,0,0|3,0,0]=4 127 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [0,1,0,0,0,0|1,0,1]=3 128 B8R0.4 C/C=C/C=C/COCF 34a_100016283227_100015361967 [0,1,0,0,0,0|2,0,1]=4 129 B8R0.4 C=CCNC/C=C\CC 2230a_100020586998_100103147603 [0,1,0,0,0,0|1,0,2]=4 130 B8R0.4 C=CCOC/C=C\CC 34a_100016268518_100015514636 [0,1,0,0,0,0|1,0,2]=4 131 B8R0.4 C=CCOC/C=C\CC 34a_200000210373_100103147603 [0,1,0,0,0,0|1,0,2]=4 132 B8R0.4 C=CCSC/C=C\CC 62a_100000210623_100103147603 [0,1,0,0,0,0|1,0,2]=4 133 B8R0.4 C=CCSC/C=C\CC 62a_100103147603_100000210623 [0,1,0,0,0,0|1,0,2]=4 134 B8R0.4 CC/C=C\COCC=O 34a_100016268518_200009817547 [0,1,0,0,0,0|0,0,2]=3 135 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [0,1,0,0,0,0|0,0,2]=3 136 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [0,1,0,0,0,0|0,0,2]=3 137 B8R0.4 CCC=CC=NNCC 4a_100000756455_100011216943 [0,1,0,0,0,0|2,0,1]=4 138 B8R0.6 C#CC(=O)C/C=C\CC 1458a_100000211873_100103147603 [0,1,0,0,0,0|1,0,2]=4 139 B8R0.6 C/C=C(\C)/C=NNCC 4a_100000756455_100020587592 [0,1,0,0,0,0|3,0,0]=4 140 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [0,1,0,0,0,0|1,0,0]=2 141 B8R0.6 C/C=C/C=CC(=O)CF 1458a_100000185730_100015361967 [0,1,0,0,0,0|2,0,0]=3 142 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [0,1,0,0,0,0|2,0,0]=3 143 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [0,1,0,0,0,0|2,0,0]=3 144 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [0,1,0,0,0,0|2,0,0]=3 145 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [0,1,0,0,0,0|1,0,1]=3 146 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,1,0,0,0,0|1,0,2]=4 147 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [0,1,0,0,0,0|1,0,2]=4 148 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,1,0,0,0,0|2,0,1]=4 149 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,1,0,0,0,0|2,0,1]=4 150 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,1,0,0,0,0|2,0,1]=4 151 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,1,0,0,0,0|1,0,2]=4 153 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,1,0,0,0,0|0,0,3]=4 154 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,1,0,0,0,0|2,0,1]=4 155 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [0,1,0,0,0,0|1,0,2]=4 156 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [0,1,0,0,0,0|1,0,2]=4 157 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [0,1,0,0,0,0|1,0,2]=4 158 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,1,0,0,0,0|1,0,2]=4 159 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,1,0,0,0,0|1,0,2]=4 160 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,1,0,0,0,0|2,0,1]=4 161 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,1,0,0,0,0|2,0,1]=4 162 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,1,0,0,0,0|2,0,1]=4 163 B8R0.6 CCNN=C/C(=C\N)/C 4a_100000756455_100050415766 [0,1,0,0,0,0|3,0,0]=4 164 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,1,0,0,0,0|2,0,1]=4 165 B8R0.6 CCOC=CC(=O)CF 1458a_100016266692_100015361967 [0,1,0,0,0,0|2,0,1]=4 166 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [0,1,0,0,0,0|3,0,0]=4 167 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [0,1,0,0,0,0|3,0,0]=4 168 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [0,1,0,0,0,0|3,0,0]=4 169 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,1,0,0,0,0|0,0,2]=3 170 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,1,0,0,0,0|0,0,2]=3 171 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,1,0,0,0,0|0,0,2]=3 172 B8R0.7 CCCC=NNC(=O)C 4a_100000189765_100000185831 [0,1,0,0,0,0|2,0,1]=4 173 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,1,0,0,0,0|0,0,2]=3 174 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,1,0,0,0,0|0,0,2]=3 175 B8R0.7 CCNN=CC=C(C)C 4a_100000756455_100011215525 [0,1,0,0,0,0|3,0,0]=4 176 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [0,0,0,1,0,0|1,0,2]=4 177 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [0,0,0,1,0,0|1,0,2]=4 178 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [0,0,0,1,0,0|2,0,1]=4 179 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [0,0,0,1,0,0|3,0,0]=4 180 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [0,0,0,1,0,0|2,0,0]=3 181 B8R1.2 CNc1cccnn1 27a_100102657272_100016991348 [0,0,0,1,0,0|3,0,0]=4 182 B8R1.2 CNc1ccncn1 27a_100102657272_100000703185 [0,0,0,1,0,0|3,0,0]=4 183 B8R1.2 CNc1cnccn1 27a_100102657272_100000211759 [0,0,0,1,0,0|3,0,0]=4 184 B8R1.2 CNc1ncccn1 27a_100102657272_100000211032 [0,0,0,1,0,0|3,0,0]=4 185 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [0,0,0,1,0,0|2,0,0]=3 186 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [0,0,0,1,0,0|2,0,0]=3 187 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [0,0,0,1,0,0|3,0,0]=4 188 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [0,0,0,1,0,0|3,0,0]=4 189 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [0,0,0,1,0,0|3,0,0]=4 190 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [0,0,0,1,0,0|2,0,0]=3 191 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [0,0,0,1,0,0|2,0,0]=3 192 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [0,0,0,1,0,0|2,0,0]=3 193 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [0,0,0,1,0,0|2,0,0]=3 194 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [0,0,0,1,0,0|3,0,0]=4 195 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [0,0,0,1,0,0|3,0,0]=4 196 B8R1.2 CSc1cccnn1 62a_100016991348_200000210301 [0,0,0,1,0,0|3,0,0]=4 197 B8R1.2 CSc1cccnn1 62a_200000210301_100016991348 [0,0,0,1,0,0|3,0,0]=4 198 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [0,0,0,1,0,0|3,0,0]=4 199 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [0,0,0,1,0,0|3,0,0]=4 200 B8R1.2 CSc1ccncn1 62a_100000703185_200000210301 [0,0,0,1,0,0|3,0,0]=4 201 B8R1.2 CSc1ccncn1 62a_200000210301_100000703185 [0,0,0,1,0,0|3,0,0]=4 202 B8R1.2 CSc1cnccn1 62a_100000211759_200000210301 [0,0,0,1,0,0|3,0,0]=4 203 B8R1.2 CSc1cnccn1 62a_200000210301_100000211759 [0,0,0,1,0,0|3,0,0]=4 204 B8R1.2 CSc1ncccn1 62a_100000211032_200000210301 [0,0,0,1,0,0|3,0,0]=4 205 B8R1.2 CSc1ncccn1 62a_200000210301_100000211032 [0,0,0,1,0,0|3,0,0]=4 206 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [0,0,0,1,0,0|2,0,0]=3 207 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [0,0,0,1,0,0|2,0,0]=3 208 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [0,0,0,1,0,0|2,0,0]=3 209 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [0,0,0,1,0,0|3,0,0]=4 210 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [0,0,0,1,0,0|3,0,0]=4 211 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [0,0,0,1,0,0|3,0,0]=4 212 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [0,0,0,1,0,0|2,0,0]=3 213 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [0,0,0,1,0,0|2,0,0]=3 214 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [0,0,0,1,0,0|2,0,0]=3 215 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [0,0,0,1,0,0|2,0,0]=3 216 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [0,0,0,1,0,0|3,0,0]=4 217 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [0,0,0,1,0,0|3,0,0]=4 218 B8R1.2 [13CH3]Sc1cccnn1 62a_100016991348_200025704644 [0,0,0,1,0,0|3,0,0]=4 219 B8R1.2 [13CH3]Sc1cccnn1 62a_200025704644_100016991348 [0,0,0,1,0,0|3,0,0]=4 220 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [0,0,0,1,0,0|3,0,0]=4 221 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [0,0,0,1,0,0|3,0,0]=4 222 B8R1.2 [13CH3]Sc1ccncn1 62a_100000703185_200025704644 [0,0,0,1,0,0|3,0,0]=4 223 B8R1.2 [13CH3]Sc1ccncn1 62a_200025704644_100000703185 [0,0,0,1,0,0|3,0,0]=4 224 B8R1.2 [13CH3]Sc1cnccn1 62a_100000211759_200025704644 [0,0,0,1,0,0|3,0,0]=4 225 B8R1.2 [13CH3]Sc1cnccn1 62a_200025704644_100000211759 [0,0,0,1,0,0|3,0,0]=4 226 B8R1.2 [13CH3]Sc1ncccn1 62a_100000211032_200025704644 [0,0,0,1,0,0|3,0,0]=4 227 B8R1.2 [13CH3]Sc1ncccn1 62a_200025704644_100000211032 [0,0,0,1,0,0|3,0,0]=4 228 B8R1.5 C[n+]1ccccc1O 271570a_203496583355_100000212160 [0,0,0,1,0,0|1,0,1]=3 229 B8R1.5 Cc1ccccc1O 271570a_203496583355_100000210755 [0,0,0,1,0,0|0,0,2]=3 230 B8R1.5 Cc1cccnc1O 271570a_203496583355_100000751373 [0,0,0,1,0,0|1,0,2]=4 231 B8R1.5 Cc1ccncc1O 271570a_203496583355_100000761580 [0,0,0,1,0,0|1,0,2]=4 232 B8R1.5 Cc1cnccc1O 271570a_203496583355_100015191297 [0,0,0,1,0,0|1,0,2]=4 233 B8R1.5 Cc1ncccc1O 271570a_203496583355_100000751574 [0,0,0,1,0,0|1,0,2]=4 234 B8R1.5 Nc1ccccc1O 271570a_203496583355_100000210017 [0,0,0,1,0,0|1,0,2]=4 235 B8R1.5 O=c1[nH]cccc1O 271570a_203496583355_100000050042 [0,0,0,1,0,0|2,0,1]=4 236 B8R1.5 O=c1cc[nH]cc1O 271570a_203496583355_100009998708 [0,0,0,1,0,0|2,0,1]=4 237 B8R1.5 Oc1ccccc1Br 271570a_203496583355_100000695589 [0,0,0,1,0,0|1,0,2]=4 238 B8R1.5 Oc1ccccc1Cl 271570a_203496583355_100000764095 [0,0,0,1,0,0|1,0,2]=4 239 B8R1.5 Oc1ccccc1F 271570a_203496583355_100011215700 [0,0,0,1,0,0|1,0,2]=4 240 B8R1.5 Oc1ccccc1O 271570a_203496583355_100000739446 [0,0,0,1,0,0|1,0,2]=4 241 B8R1.5 [O-][n+]1ccccc1O 271570a_203496583355_200000042595 [0,0,0,1,0,0|2,0,1]=4 242 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [0,0,0,1,0,0|0,0,3]=4 243 B8R1.8 C=C=Cc1cccs1 271570a_100015277604_100011215356 [0,0,0,1,0,0|0,1,2]=4 244 B8R1.8 CC=Cc1c[nH]cn1 271570a_100016259895_100000756875 [0,0,0,1,0,0|2,0,1]=4 245 B8R1.8 CC=Cc1cc[nH]n1 271570a_100016259895_100000062575 [0,0,0,1,0,0|2,0,1]=4 246 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [0,0,0,1,0,0|0,0,2]=3 247 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [0,0,0,1,0,0|0,1,1]=3 248 B8R1.8 CC=Cc1ccoc1 271570a_100016259895_100011215275 [0,0,0,1,0,0|2,0,1]=4 249 B8R1.8 CC=Cc1ccsc1 271570a_100016259895_100000738268 [0,0,0,1,0,0|2,0,1]=4 250 B8R1.8 CC=Cc1ccsn1 271570a_100016259895_100009818082 [0,0,0,1,0,0|2,0,1]=4 251 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [0,0,0,1,0,0|1,0,2]=4 252 B8R1.8 CC=Cc1cncs1 271570a_100016259895_100011934649 [0,0,0,1,0,0|1,1,1]=4 253 B8R1.8 CC=Cc1cscn1 271570a_100016259895_100000751502 [0,0,0,1,0,0|2,0,1]=4 254 B8R1.8 CC=Cc1ncc[nH]1 271570a_100016259895_100025796157 [0,0,0,1,0,0|2,0,1]=4 255 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [0,0,0,1,0,0|1,0,2]=4 256 B8R1.8 CC=Cc1nccs1 271570a_100016259895_100000211983 [0,0,0,1,0,0|1,1,1]=4 257 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [0,0,0,1,0,0|3,0,0]=4 258 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [0,0,0,1,0,0|3,0,0]=4 259 B8R1.8 CCSc1c[nH]cn1 62a_100000210202_100000756875 [0,0,0,1,0,0|3,0,0]=4 260 B8R1.8 CCSc1c[nH]cn1 62a_100000756875_100000210202 [0,0,0,1,0,0|3,0,0]=4 261 B8R1.8 CCSc1cc[nH]n1 62a_100000062575_100000210202 [0,0,0,1,0,0|3,0,0]=4 262 B8R1.8 CCSc1cc[nH]n1 62a_100000210202_100000062575 [0,0,0,1,0,0|3,0,0]=4 263 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [0,0,0,1,0,0|1,0,1]=3 264 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [0,0,0,1,0,0|1,0,1]=3 265 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [0,0,0,1,0,0|1,1,0]=3 266 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [0,0,0,1,0,0|1,1,0]=3 267 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [0,0,0,1,0,0|3,0,0]=4 268 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [0,0,0,1,0,0|3,0,0]=4 269 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [0,0,0,1,0,0|3,0,0]=4 270 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [0,0,0,1,0,0|3,0,0]=4 271 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [0,0,0,1,0,0|3,0,0]=4 272 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [0,0,0,1,0,0|3,0,0]=4 273 B8R1.8 CCSc1ccsn1 62a_100000210202_100009818082 [0,0,0,1,0,0|3,0,0]=4 274 B8R1.8 CCSc1ccsn1 62a_100009818082_100000210202 [0,0,0,1,0,0|3,0,0]=4 275 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [0,0,0,1,0,0|2,0,1]=4 276 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [0,0,0,1,0,0|2,0,1]=4 277 B8R1.8 CCSc1cncs1 62a_100000210202_100011934649 [0,0,0,1,0,0|2,1,0]=4 278 B8R1.8 CCSc1cncs1 62a_100011934649_100000210202 [0,0,0,1,0,0|2,1,0]=4 279 B8R1.8 CCSc1cscn1 62a_100000210202_100000751502 [0,0,0,1,0,0|3,0,0]=4 280 B8R1.8 CCSc1cscn1 62a_100000751502_100000210202 [0,0,0,1,0,0|3,0,0]=4 281 B8R1.8 CCSc1ncc[nH]1 62a_100000210202_100025796157 [0,0,0,1,0,0|3,0,0]=4 282 B8R1.8 CCSc1ncc[nH]1 62a_100025796157_100000210202 [0,0,0,1,0,0|3,0,0]=4 283 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [0,0,0,1,0,0|2,0,1]=4 284 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [0,0,0,1,0,0|2,0,1]=4 285 B8R1.8 CCSc1nccs1 62a_100000210202_100000211983 [0,0,0,1,0,0|2,1,0]=4 286 B8R1.8 CCSc1nccs1 62a_100000211983_100000210202 [0,0,0,1,0,0|2,1,0]=4 287 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [0,0,0,1,0,0|1,0,2]=4 288 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [0,0,0,1,0,0|1,0,2]=4 289 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [0,0,0,1,0,0|1,0,2]=4 290 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [0,0,0,1,0,0|1,0,2]=4 291 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [0,0,0,1,0,0|1,1,1]=4 292 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [0,0,0,1,0,0|1,1,1]=4 293 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [0,0,0,1,0,0|1,1,1]=4 294 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [0,0,0,1,0,0|1,0,2]=4 295 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [0,0,0,1,0,0|1,1,1]=4 296 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [0,0,0,1,0,0|2,0,1]=4 297 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [0,0,0,1,0,0|2,0,1]=4 298 B8R1.8 FCSc1cccs1 62a_100011215356_100015361967 [0,0,0,1,0,0|2,1,0]=4 299 B8R1.8 FCSc1cccs1 62a_100015361967_100011215356 [0,0,0,1,0,0|2,1,0]=4 300 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [0,0,0,1,0,0|1,0,2]=4 301 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [0,0,0,1,0,0|1,0,2]=4 302 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [0,0,0,1,0,0|1,1,1]=4 303 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [0,0,0,1,0,0|1,0,2]=4 304 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [0,0,0,1,0,0|1,1,1]=4 305 B8R1.11 C=Cc1ccnn1C 271570a_100011290941_100000688441 [0,0,0,1,0,0|3,0,0]=4 306 B8R1.11 C=Cc1ccsc1C 271570a_100011290941_100000684487 [0,0,0,1,0,0|2,0,1]=4 307 B8R1.11 C=Cc1cncn1C 271570a_100011290941_100009814087 [0,0,0,1,0,0|3,0,0]=4 308 B8R1.11 C=Cc1cscc1C 271570a_100011290941_100000759966 [0,0,0,1,0,0|2,0,1]=4 309 B8R1.11 C=Cc1nccn1C 271570a_100011290941_100000707724 [0,0,0,1,0,0|3,0,0]=4 310 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [0,0,0,1,0,0|2,0,1]=4 311 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [0,0,0,1,0,0|1,0,1]=3 312 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [0,0,0,1,0,0|1,0,1]=3 313 B8R1.11 CCn1ccnc1O 271570a_203496583355_100011617267 [0,0,0,1,0,0|2,0,1]=4 314 B8R1.11 CCn1nccc1O 271570a_203496583355_100000728327 [0,0,0,1,0,0|2,0,1]=4 315 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [0,0,0,1,0,0|3,0,0]=4 316 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [0,0,0,1,0,0|3,0,0]=4 317 B8R1.11 CSc1cscc1Br 62a_100010143727_200000210301 [0,0,0,1,0,0|3,0,0]=4 318 B8R1.11 CSc1cscc1Br 62a_200000210301_100010143727 [0,0,0,1,0,0|3,0,0]=4 319 B8R1.11 CSc1cscc1C 62a_100000759966_200000210301 [0,0,0,1,0,0|3,0,0]=4 320 B8R1.11 CSc1cscc1C 62a_200000210301_100000759966 [0,0,0,1,0,0|3,0,0]=4 321 B8R1.11 CSc1sccc1Br 62a_100012361411_200000210301 [0,0,0,1,0,0|3,0,0]=4 322 B8R1.11 CSc1sccc1Br 62a_200000210301_100012361411 [0,0,0,1,0,0|3,0,0]=4 323 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [0,0,0,1,0,0|3,0,0]=4 324 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [0,0,0,1,0,0|3,0,0]=4 325 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [0,0,0,1,0,0|2,0,1]=4 326 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [0,0,0,1,0,0|3,0,0]=4 327 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [0,0,0,1,0,0|3,0,0]=4 328 B8R1.11 Cc1cscc1S[13CH3] 62a_100000759966_200025704644 [0,0,0,1,0,0|3,0,0]=4 329 B8R1.11 Cc1cscc1S[13CH3] 62a_200025704644_100000759966 [0,0,0,1,0,0|3,0,0]=4 330 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [0,0,0,1,0,0|3,0,0]=4 331 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [0,0,0,1,0,0|3,0,0]=4 332 B8R1.11 NCc1ccsc1O 271570a_203496583355_100000727803 [0,0,0,1,0,0|2,0,1]=4 333 B8R1.11 O=Cc1ccsc1O 271570a_203496583355_100009816921 [0,0,0,1,0,0|2,0,1]=4 334 B8R1.11 O=Cc1cscc1O 271570a_203496583355_100000685484 [0,0,0,1,0,0|2,0,1]=4 335 B8R1.11 O=Cc1occc1O 271570a_203496583355_100000756499 [0,0,0,1,0,0|2,0,1]=4 336 B8R1.11 O=Cc1sccc1O 271570a_203496583355_100000766043 [0,0,0,1,0,0|2,0,1]=4 337 B8R1.11 OCc1ccsc1O 271570a_203496583355_100009816922 [0,0,0,1,0,0|2,0,1]=4 338 B8R1.11 OCc1cscc1O 271570a_203496583355_100000724555 [0,0,0,1,0,0|2,0,1]=4 339 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [0,0,0,1,0,0|2,0,1]=4 340 B8R1.11 [13CH3]Sc1cscc1Br 62a_100010143727_200025704644 [0,0,0,1,0,0|3,0,0]=4 341 B8R1.11 [13CH3]Sc1cscc1Br 62a_200025704644_100010143727 [0,0,0,1,0,0|3,0,0]=4 342 B8R1.11 [13CH3]Sc1sccc1Br 62a_100012361411_200025704644 [0,0,0,1,0,0|3,0,0]=4 343 B8R1.11 [13CH3]Sc1sccc1Br 62a_200025704644_100012361411 [0,0,0,1,0,0|3,0,0]=4 344 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [2,0,0,0,0,0|1,0,1]=4 345 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [2,0,0,0,0,0|1,0,1]=4 346 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|1,0,1]=4 347 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|1,0,1]=4 348 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [2,0,0,0,0,0|1,0,1]=4 349 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [2,0,0,0,0,0|1,0,1]=4 350 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|1,0,1]=4 351 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|1,0,1]=4 352 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|1,0,1]=4 353 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|1,0,1]=4 354 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,1,0,0,0,0|0,0,2]=4 355 B7R0.3 C=CC(=NNCC)C 4a_100000756455_200015361842 [1,1,0,0,0,0|2,0,0]=4 356 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [1,1,0,0,0,0|0,0,2]=4 357 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [1,1,0,0,0,0|0,0,2]=4 358 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,1,0,0,0,0|0,0,2]=4 359 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,1,0,0,0,0|1,0,1]=4 360 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,1,0,0,0,0|1,0,1]=4 361 B7R0.3 C=CC(=O)NNCC 22a_100000756455_100000185746 [1,1,0,0,0,0|2,0,0]=4 362 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [1,1,0,0,0,0|0,0,0]=2 363 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [1,1,0,0,0,0|1,0,0]=3 364 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [1,1,0,0,0,0|1,0,0]=3 365 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,1,0,0,0,0|0,0,2]=4 366 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,1,0,0,0,0|0,0,2]=4 367 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [1,1,0,0,0,0|1,0,1]=4 368 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [1,1,0,0,0,0|1,0,1]=4 369 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [1,1,0,0,0,0|1,0,1]=4 370 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,1,0,0,0,0|0,0,2]=4 371 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,1,0,0,0,0|0,0,2]=4 372 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,1,0,0,0,0|1,0,1]=4 373 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,1,0,0,0,0|0,0,2]=4 374 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,1,0,0,0,0|1,0,1]=4 375 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,1,0,0,0,0|1,0,1]=4 376 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,1,0,0,0,0|1,0,1]=4 377 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,1,0,0,0,0|1,0,1]=4 378 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,1,0,0,0,0|0,0,0]=2 379 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,1,0,0,0,0|0,0,0]=2 380 B7R0.4 C=C(C)C=NNCC 4a_100000756455_100000210575 [1,1,0,0,0,0|2,0,0]=4 381 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,1,0,0,0,0|0,0,1]=3 382 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,1,0,0,0,0|0,0,1]=3 383 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,1,0,0,0,0|0,0,1]=3 384 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,1,0,0,0,0|2,0,0]=4 385 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,1,0,0,0,0|0,0,1]=3 386 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,1,0,0,0,0|0,0,1]=3 387 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,1,0,0,0,0|1,0,0]=3 388 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,1,0,0,0,0|1,0,0]=3 389 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,1,0,0,0,0|1,0,1]=4 390 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,1,0,0,0,0|1,0,1]=4 391 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [1,1,0,0,0,0|0,0,2]=4 392 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,1,0,0,0,0|0,0,2]=4 393 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,1,0,0,0,0|0,0,2]=4 394 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [1,1,0,0,0,0|1,0,1]=4 395 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [1,1,0,0,0,0|1,0,1]=4 396 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [1,1,0,0,0,0|1,0,1]=4 397 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,1,0,0,0,0|0,0,2]=4 398 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,1,0,0,0,0|1,0,1]=4 399 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,1,0,0,0,0|1,0,1]=4 400 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,1,0,0,0,0|1,0,1]=4 401 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,1,0,0,0,0|1,0,1]=4 402 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,1,0,0,0,0|1,0,1]=4 403 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [1,1,0,0,0,0|2,0,0]=4 404 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [1,1,0,0,0,0|2,0,0]=4 405 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [1,1,0,0,0,0|2,0,0]=4 406 B9R0.4 C=C(C)CC(=O)C=CCC 1458a_100000212282_100000748629 [0,2,0,0,0,0|1,0,1]=4 407 B9R0.4 C=C(F)CC(=O)C=CCC 1458a_100000212282_100009893438 [0,2,0,0,0,0|1,0,1]=4 408 B9R0.4 C=CC=CC(=O)CC(C)C 1458a_100016291481_100000210624 [0,2,0,0,0,0|1,0,1]=4 409 B9R0.4 C=CC=CC(=O)CC(C)O 1458a_100016291481_100011218427 [0,2,0,0,0,0|1,0,1]=4 410 B9R0.4 C=CC=CC(=O)NC(C)C 1626a_100138425928_100016291481 [0,2,0,0,0,0|2,0,0]=4 411 B9R0.4 CCC=CC(=O)CC(=O)N 1458a_100000212282_100000187820 [0,2,0,0,0,0|0,0,1]=3 412 B9R0.4 CCC=CC(=O)CC(=O)[O-] 1458a_100000212282_100020667443 [0,2,0,0,0,0|0,0,1]=3 413 B9R0.4 CCC=CC(=O)C[N+](=O)[O-] 1458a_100000212282_100000761209 [0,2,0,0,0,0|1,0,1]=4 414 B9R0.4 COC=CC(=O)CC(=O)N 1458a_100016268678_100000187820 [0,2,0,0,0,0|1,0,1]=4 415 B9R0.4 COC=CC(=O)CC(=O)[O-] 1458a_100016268678_100020667443 [0,2,0,0,0,0|1,0,1]=4 416 B9R0.5 C#CCC(=O)C=C/C=C/C 1458a_100000185730_100000184674 [0,2,0,0,0,0|1,0,1]=4 417 B9R0.5 C/C=C/C=CC(=O)CC#N 1458a_100000185730_100011214920 [0,2,0,0,0,0|1,0,1]=4 418 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [0,2,0,0,0,0|1,0,0]=3 419 B9R0.5 C/C=C/C=CC(=O)CCF 1458a_100000185730_100011217306 [0,2,0,0,0,0|1,0,0]=3 420 B9R0.5 C/C=C/C=CC(=O)CCO 1458a_100000185730_100000211926 [0,2,0,0,0,0|1,0,0]=3 421 B9R0.5 C/C=C/C=CC(=O)NCC 11a_100015525214_100000185730 [0,2,0,0,0,0|1,0,0]=3 422 B9R0.5 C/C=C/C=CC(=O)NCC 240690a_100015525214_100000185730 [0,2,0,0,0,0|1,0,0]=3 423 B9R0.5 C/C=C/C=CC(=O)NNC 22a_100016993582_100000185730 [0,2,0,0,0,0|2,0,0]=4 424 B9R0.5 C=CCC(=O)C/C=C/CC 1458a_100016274230_100000210623 [0,2,0,0,0,0|1,0,1]=4 425 B9R0.5 C=CCC(=O)C/C=C\CC 1458a_100000210193_100103147603 [0,2,0,0,0,0|1,0,1]=4 426 B9R0.5 C=CCC(=O)C=C/C=C/C 1458a_100000185730_100000210623 [0,2,0,0,0,0|1,0,1]=4 427 B9R0.5 C=CCC(=O)C=CCCC 1458a_100000212230_100000210623 [0,2,0,0,0,0|1,0,1]=4 428 B9R0.5 C=CCC(=O)C=CCOC 1458a_100016285016_100000210623 [0,2,0,0,0,0|1,0,1]=4 429 B9R0.5 C=CCC(=O)C=COCC 1458a_100016266692_100000210623 [0,2,0,0,0,0|1,0,1]=4 430 B9R0.5 CC/C=C\CC(=O)C=CBr 1458a_100016273825_100103147603 [0,2,0,0,0,0|1,0,0]=3 431 B9R0.5 CC/C=C\CC(=O)C=CCl 1458a_200016279998_100103147603 [0,2,0,0,0,0|1,0,0]=3 432 B9R0.5 CC/C=C\CC(=O)C=CI 1458a_100016256311_100103147603 [0,2,0,0,0,0|1,0,0]=3 433 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [0,2,0,0,0,0|1,0,0]=3 434 B9R0.8 C=CC=CC(=O)C(C)CC 1458a_100016291481_100000758301 [0,2,0,0,0,0|1,0,1]=4 435 B9R0.8 C=CC=CC(=O)N(C)CC 1626a_100000225621_100016291481 [0,2,0,0,0,0|2,0,0]=4 436 B9R0.18 C/C=C/CC(=O)C=CCC 1458a_100000212282_100102629194 [0,2,0,0,0,0|1,0,0]=3 437 B9R0.18 C/C=C/CC(=O)C=COC 1458a_100016268678_100102629194 [0,2,0,0,0,0|2,0,0]=4 438 B9R0.18 C=CC=CC(=O)C/C=C/C 1458a_100016291481_100102629194 [0,2,0,0,0,0|1,0,1]=4 439 B9R0.18 C=CC=CC(=O)CC=CC 1458a_100016291481_100000070051 [0,2,0,0,0,0|1,0,1]=4 440 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [0,2,0,0,0,0|1,0,1]=4 441 B9R0.18 C=CC=CC(=O)CCCF 1458a_100016291481_100011934791 [0,2,0,0,0,0|1,0,1]=4 442 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [0,2,0,0,0,0|1,0,1]=4 443 B9R0.18 C=CC=CC(=O)CCOC 1458a_100016291481_100000233755 [0,2,0,0,0,0|1,0,1]=4 444 B9R0.18 C=CC=CC(=O)CCSC 1458a_100016291481_100000751147 [0,2,0,0,0,0|1,0,1]=4 445 B9R0.18 C=CC=CC(=O)NCCC 1626a_100020643023_100016291481 [0,2,0,0,0,0|1,0,1]=4 446 B9R0.18 C=CC=CC(=O)NCCF 1626a_100000724931_100016291481 [0,2,0,0,0,0|2,0,0]=4 447 B9R0.18 C=CC=CC(=O)NNCC 22a_100000756455_100016291481 [0,2,0,0,0,0|2,0,0]=4 448 B9R0.18 C=CCCC(=O)C=CCC 1458a_100000212282_100000754431 [0,2,0,0,0,0|1,0,1]=4 449 B9R0.18 C=CCNC(=O)C=CCC 1626a_100020586998_100000212282 [0,2,0,0,0,0|1,0,1]=4 450 B9R0.18 C=CCNC(=O)C=CCC 240690a_100020586998_100000212282 [0,2,0,0,0,0|1,0,1]=4 451 B9R0.18 CC=CCC(=O)C=CCC 1458a_100000212282_100000070051 [0,2,0,0,0,0|1,0,0]=3 452 B9R0.18 CC=CCC(=O)C=COC 1458a_100016268678_100000070051 [0,2,0,0,0,0|2,0,0]=4 453 B9R0.34 C=CCC(=O)C=C(C)CC 1458a_100020758463_100000210623 [0,2,0,0,0,0|1,0,1]=4 454 B9R0.34 CC=CC(=O)CC(=O)CC 1458a_100000210699_100000747405 [0,2,0,0,0,0|1,0,1]=4 455 B9R0.34 CCC(=O)CC(=O)C=CBr 1458a_100016273825_100000747405 [0,2,0,0,0,0|1,0,1]=4 456 B9R0.34 CCC(=O)CC(=O)C=CCl 1458a_200016279998_100000747405 [0,2,0,0,0,0|1,0,1]=4 457 B9R0.34 CCC(=O)CC(=O)C=CI 1458a_100016256311_100000747405 [0,2,0,0,0,0|1,0,1]=4 458 B9R0.35 C=CCC(=O)/C(=C/CC)/C 1458a_100016988807_100000210623 [0,2,0,0,0,0|1,0,1]=4 459 B9R0.48 C=CCC(=O)C=CC(C)C 1458a_100016268746_100000210623 [0,2,0,0,0,0|1,0,1]=4 460 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,2,0,0,0,0|1,0,0]=3 461 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,2,0,0,0,0|1,0,0]=3 462 B9R0.2 C/C=C/C=C/COC(C)C 34a_100016283227_100000210206 [0,2,0,0,0,0|1,0,1]=4 463 B9R0.2 CC/C=C\CNCC(=O)N 2230a_100000711301_100103147603 [0,2,0,0,0,0|0,0,2]=4 464 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [0,2,0,0,0,0|0,0,2]=4 465 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [0,2,0,0,0,0|0,0,2]=4 466 B9R0.2 CC/C=C\COCC(=O)N 34a_100016268518_100000187820 [0,2,0,0,0,0|0,0,2]=4 467 B9R0.2 CC/C=C\COCC(=O)[O-] 34a_100016268518_100020667443 [0,2,0,0,0,0|0,0,2]=4 468 B9R0.2 CC/C=C\CSCC(=O)N 62a_100000747473_100103147603 [0,2,0,0,0,0|0,0,2]=4 469 B9R0.2 CC/C=C\CSCC(=O)N 62a_100103147603_100000747473 [0,2,0,0,0,0|0,0,2]=4 470 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100020667443_100103147603 [0,2,0,0,0,0|0,0,2]=4 471 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100103147603_100020667443 [0,2,0,0,0,0|0,0,2]=4 472 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [0,2,0,0,0,0|0,0,0]=2 473 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [0,2,0,0,0,0|0,0,0]=2 474 B9R0.2 CCC=CC=NNC(=O)C 4a_100000189765_100011216943 [0,2,0,0,0,0|1,0,0]=3 475 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,2,0,0,0,0|0,0,2]=4 476 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,2,0,0,0,0|0,0,2]=4 477 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,2,0,0,0,0|0,0,2]=4 478 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,2,0,0,0,0|0,0,2]=4 479 B9R0.45 C/C=C/C=C/COCC=O 34a_100016283227_200009817547 [0,2,0,0,0,0|0,0,2]=4 480 B9R0.45 C/C=C/C=C/COCCC 34a_100016283227_100000210303 [0,2,0,0,0,0|1,0,1]=4 481 B9R0.45 C/C=C/C=C/COCCF 34a_100016283227_100011217306 [0,2,0,0,0,0|1,0,1]=4 482 B9R0.45 C/C=C/C=C/COCCO 34a_100016283227_100000211926 [0,2,0,0,0,0|1,0,1]=4 483 B9R0.45 C/C=C/C=C/COCSC 34a_100016283227_100011218213 [0,2,0,0,0,0|1,0,1]=4 484 B9R0.45 C/C=C/COC/C=C\CC 34a_100016268518_100102629194 [0,2,0,0,0,0|1,0,1]=4 485 B9R0.45 C/C=C/COC/C=C\CC 34a_100016270725_100103147603 [0,2,0,0,0,0|1,0,1]=4 486 B9R0.45 C/C=C/CSC/C=C\CC 62a_100102629194_100103147603 [0,2,0,0,0,0|1,0,1]=4 487 B9R0.45 C/C=C/CSC/C=C\CC 62a_100103147603_100102629194 [0,2,0,0,0,0|1,0,1]=4 488 B9R0.45 CC/C=C\CCOCC=O 34a_100016288707_200009817547 [0,2,0,0,0,0|0,0,2]=4 489 B9R0.45 CC/C=C\CCOCC=O 7a_100016288707_200015260668 [0,2,0,0,0,0|0,0,2]=4 490 B9R0.45 CC/C=C\CCSCC=O 62a_100015370543_200015260668 [0,2,0,0,0,0|0,0,2]=4 491 B9R0.45 CC/C=C\CCSCC=O 62a_200015260668_100015370543 [0,2,0,0,0,0|0,0,2]=4 492 B9R0.45 CC=CC=CC=NNCC 4a_100000756455_100000691131 [0,2,0,0,0,0|1,0,0]=3 493 B9R0.45 CC=CCOC/C=C\CC 34a_100016268518_100000070051 [0,2,0,0,0,0|1,0,1]=4 494 B9R0.45 CC=CCSC/C=C\CC 62a_100000070051_100103147603 [0,2,0,0,0,0|1,0,1]=4 495 B9R0.45 CC=CCSC/C=C\CC 62a_100103147603_100000070051 [0,2,0,0,0,0|1,0,1]=4 496 B9R0.45 CCC/C=C/C=C/COC 34a_100016294078_200000210301 [0,2,0,0,0,0|0,0,2]=4 497 B9R0.45 CCC/C=C/C=C/CO[13CH3] 34a_100016294078_200025704644 [0,2,0,0,0,0|0,0,2]=4 498 B9R0.45 CCC/C=C/COCC=O 34a_100016278788_200009817547 [0,2,0,0,0,0|0,0,2]=4 499 B9R0.45 CCC/C=C/COCC=O 7a_100016278788_200015260668 [0,2,0,0,0,0|0,0,2]=4 500 B9R0.46 C#CC(=O)CC/C=C\CC 1458a_100000211873_100015370543 [0,2,0,0,0,0|0,0,2]=4 501 B9R0.46 C=CC(=O)CC/C=C\CC 1458a_100000185746_100015370543 [0,2,0,0,0,0|0,0,2]=4 502 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [0,2,0,0,0,0|0,0,2]=4 503 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,2,0,0,0,0|0,0,2]=4 504 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,2,0,0,0,0|0,0,2]=4 505 B9R0.46 CCC/C=C/CC(=O)CF 1458a_200016266809_100015361967 [0,2,0,0,0,0|0,0,2]=4 506 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [0,2,0,0,0,0|0,0,2]=4 507 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [0,2,0,0,0,0|0,0,2]=4 508 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [0,2,0,0,0,0|0,0,2]=4 509 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [0,2,0,0,0,0|0,0,2]=4 510 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,2,0,0,0,0|0,0,2]=4 511 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [0,2,0,0,0,0|0,0,2]=4 512 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,2,0,0,0,0|0,0,2]=4 513 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,2,0,0,0,0|0,0,2]=4 514 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,2,0,0,0,0|0,0,2]=4 515 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [0,2,0,0,0,0|1,0,1]=4 516 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [0,2,0,0,0,0|1,0,1]=4 517 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [0,2,0,0,0,0|1,0,1]=4 518 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [0,2,0,0,0,0|1,0,1]=4 519 B9R0.24 CC=C(C)C=CC(=O)CC 1458a_100000692105_100000210202 [0,2,0,0,0,0|1,0,0]=3 520 B9R0.24 CC=C(C)C=CC(=O)CF 1458a_100000692105_100015361967 [0,2,0,0,0,0|2,0,0]=4 521 B9R0.24 CC=C(C)C=CC(=O)NC 1626a_100102657272_100000692105 [0,2,0,0,0,0|2,0,0]=4 522 B9R0.24 CCC(=O)C=CC(=O)NC 1458a_100016259477_100000210202 [0,2,0,0,0,0|2,0,0]=4 523 B9R0.47 C/C=C/C=CC(=O)C(C)C 1458a_100000185730_100000210206 [0,2,0,0,0,0|1,0,0]=3 524 B9R0.47 C/C=C/C=CC(=O)N(C)C 11a_100102631434_100000185730 [0,2,0,0,0,0|2,0,0]=4 525 B9R0.47 C/C=C/C=CC(=O)N(C)C 1626a_100102631434_100000185730 [0,2,0,0,0,0|2,0,0]=4 526 B9R0.47 C/C=C/C=CC(=O)N(C)C 240690a_100102631434_100000185730 [0,2,0,0,0,0|2,0,0]=4 527 B9R0.47 C=C(C)C(=O)C/C=C\CC 1458a_100000185857_100103147603 [0,2,0,0,0,0|1,0,1]=4 528 B9R0.47 CCC=NNC(=O)C(=O)N 4a_100000211141_100000210100 [0,2,0,0,0,0|2,0,0]=4 529 B7R1.1 C=Cc1cc[nH]n1 271570a_100011290941_100000062575 [1,0,0,1,0,0|2,0,0]=4 530 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [1,0,0,1,0,0|0,0,2]=4 531 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [1,0,0,1,0,0|0,1,1]=4 532 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [1,0,0,1,0,0|1,0,1]=4 533 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [1,0,0,1,0,0|1,0,1]=4 534 B7R1.1 C=Cc1ccsn1 271570a_100011290941_100009818082 [1,0,0,1,0,0|2,0,0]=4 535 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [1,0,0,1,0,0|2,0,0]=4 536 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [1,0,0,1,0,0|2,0,0]=4 537 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,0,0,1,0,0|1,0,1]=4 538 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,0,0,1,0,0|1,0,1]=4 539 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,0,0,1,0,0|1,1,0]=4 540 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,0,0,1,0,0|1,1,0]=4 541 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [1,0,0,1,0,0|2,0,0]=4 542 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [1,0,0,1,0,0|2,0,0]=4 543 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [1,0,0,1,0,0|2,0,0]=4 544 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [1,0,0,1,0,0|2,0,0]=4 545 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [1,0,0,1,0,0|2,0,0]=4 546 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [1,0,0,1,0,0|2,0,0]=4 547 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,0,0,1,0,0|1,0,1]=4 548 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,0,0,1,0,0|1,0,1]=4 549 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,0,0,1,0,0|1,1,0]=4 550 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,0,0,1,0,0|1,1,0]=4 551 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [1,0,0,1,0,0|2,0,0]=4 552 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [1,0,0,1,0,0|2,0,0]=4 553 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [1,0,0,1,0,0|2,0,0]=4 554 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [1,0,0,1,0,0|2,0,0]=4 555 B7R1.3 Oc1ccccc1 271570a_203496583355_100000210277 [1,0,0,1,0,0|0,0,2]=4 556 B7R1.3 Oc1ccccn1 271570a_203496583355_100011216584 [1,0,0,1,0,0|1,0,1]=4 557 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [1,0,0,1,0,0|1,0,1]=4 558 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [1,0,0,1,0,0|1,0,1]=4 559 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [1,0,0,1,0,0|1,0,1]=4 560 B9R1.2 C=Cc1ccc[n+](c1)C 271570a_100011290941_100009996589 [0,1,0,1,0,0|2,0,0]=4 561 B9R1.2 C=Cc1cccc(=O)[nH]1 271570a_100011290941_100000761760 [0,1,0,1,0,0|0,0,2]=4 562 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [0,1,0,1,0,0|1,0,1]=4 563 B9R1.2 C=Cc1cccc(n1)C 271570a_100011290941_100000742759 [0,1,0,1,0,0|1,0,1]=4 564 B9R1.2 CCc1cc(ccn1)O 271570a_203496583355_100009820011 [0,1,0,1,0,0|1,0,0]=3 565 B9R1.2 CCc1cc(ncn1)O 271570a_203496583355_100000744278 [0,1,0,1,0,0|2,0,0]=4 566 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [0,1,0,1,0,0|0,0,1]=3 567 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [0,1,0,1,0,0|0,0,1]=3 568 B9R1.2 CCc1ccnc(c1)O 271570a_203496583355_100009817561 [0,1,0,1,0,0|1,0,1]=4 569 B9R1.2 CCc1ccnc(n1)O 271570a_203496583355_100000100215 [0,1,0,1,0,0|1,0,1]=4 570 B9R1.2 CCc1cncc(c1)O 271570a_203496583355_200009819073 [0,1,0,1,0,0|1,0,1]=4 571 B9R1.2 CNc1cc(ccn1)F 27a_100102657272_100000764206 [0,1,0,1,0,0|2,0,0]=4 572 B9R1.2 CNc1cc(ccn1)O 271570a_203496583355_100009819592 [0,1,0,1,0,0|2,0,0]=4 573 B9R1.2 CNc1cc[nH]c(=O)c1 27a_100102657272_100000061649 [0,1,0,1,0,0|2,0,0]=4 574 B9R1.2 CNc1cc[nH]c(=O)n1 27a_100102657272_200000134032 [0,1,0,1,0,0|2,0,0]=4 575 B9R1.2 CNc1cccc(c1)Br 34a_100000210019_200000210301 [0,1,0,1,0,0|2,0,0]=4 576 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [0,1,0,1,0,0|2,0,0]=4 577 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [0,1,0,1,0,0|2,0,0]=4 578 B9R1.2 CNc1cccc(c1)Cl 34a_100000185859_200000210301 [0,1,0,1,0,0|2,0,0]=4 579 B9R1.2 CNc1cccc(c1)F 34a_100000210047_200000210301 [0,1,0,1,0,0|2,0,0]=4 580 B9R1.2 CNc1cccc(c1)I 34a_100000211102_200000210301 [0,1,0,1,0,0|2,0,0]=4 581 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [0,1,0,1,0,0|1,0,1]=4 582 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [0,1,0,1,0,0|1,0,1]=4 583 B9R1.2 CNc1cccc(n1)F 27a_100102657272_100009815982 [0,1,0,1,0,0|2,0,0]=4 584 B9R1.2 CNc1cccc(n1)O 271570a_203496583355_100000703281 [0,1,0,1,0,0|1,0,1]=4 585 B9R1.2 COc1cc(ccn1)O 271570a_203496583355_100000117307 [0,1,0,1,0,0|2,0,0]=4 586 B9R1.2 COc1cc[nH]c(=O)c1 34a_100000032262_200000210301 [0,1,0,1,0,0|2,0,0]=4 587 B9R1.2 COc1cccc(=O)[nH]1 34a_100000033347_200000210301 [0,1,0,1,0,0|1,0,0]=3 588 B9R1.2 COc1cccc(c1)Br 34a_100000210342_200000210301 [0,1,0,1,0,0|2,0,0]=4 589 B9R1.2 COc1cccc(c1)Br 7a_100000210342_200000210301 [0,1,0,1,0,0|2,0,0]=4 590 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [0,1,0,1,0,0|2,0,0]=4 591 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [0,1,0,1,0,0|2,0,0]=4 592 B9R1.2 COc1cccc(c1)Cl 34a_100000210295_200000210301 [0,1,0,1,0,0|2,0,0]=4 593 B9R1.2 COc1cccc(c1)Cl 7a_100000210295_200000210301 [0,1,0,1,0,0|2,0,0]=4 594 B9R1.2 COc1cccc(c1)F 34a_100000210426_200000210301 [0,1,0,1,0,0|2,0,0]=4 595 B9R1.2 COc1cccc(c1)F 7a_100000210426_200000210301 [0,1,0,1,0,0|2,0,0]=4 596 B9R1.2 COc1cccc(c1)I 34a_100000211634_200000210301 [0,1,0,1,0,0|2,0,0]=4 597 B9R1.2 COc1cccc(c1)I 7a_100000211634_200000210301 [0,1,0,1,0,0|2,0,0]=4 598 B9R1.2 COc1cccc(c1)N 34a_100000210217_200000210301 [0,1,0,1,0,0|2,0,0]=4 599 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [0,1,0,1,0,0|1,0,1]=4 600 B9R1.2 COc1cccc(n1)F 34a_100011432558_200000210301 [0,1,0,1,0,0|2,0,0]=4 601 B9R1.2 COc1cccc(n1)O 271570a_203496583355_100000760917 [0,1,0,1,0,0|1,0,1]=4 602 B9R1.2 CSc1cc(=O)cc[nH]1 62a_100009817434_200000210301 [0,1,0,1,0,0|2,0,0]=4 603 B9R1.2 CSc1cc(ccn1)C 62a_100000750283_200000210301 [0,1,0,1,0,0|2,0,0]=4 604 B9R1.2 CSc1cc(ccn1)C 62a_200000210301_100000750283 [0,1,0,1,0,0|2,0,0]=4 605 B9R1.2 CSc1cc(ccn1)Cl 62a_100010167805_200000210301 [0,1,0,1,0,0|2,0,0]=4 606 B9R1.2 CSc1cc(ccn1)Cl 62a_200000210301_100010167805 [0,1,0,1,0,0|2,0,0]=4 607 B9R1.2 CSc1cc(ccn1)F 62a_100000764206_200000210301 [0,1,0,1,0,0|2,0,0]=4 608 B9R1.2 CSc1cc(ccn1)F 62a_200000210301_100000764206 [0,1,0,1,0,0|2,0,0]=4 609 B9R1.2 CSc1cc(ccn1)N 62a_100009814236_200000210301 [0,1,0,1,0,0|2,0,0]=4 610 B9R1.2 CSc1cc(ccn1)N 62a_200000210301_100009814236 [0,1,0,1,0,0|2,0,0]=4 611 B9R1.2 CSc1cc(ccn1)O 62a_200000210301_100000762945 [0,1,0,1,0,0|2,0,0]=4 612 B9R1.2 CSc1cc[nH]c(=O)c1 62a_100009816521_200000210301 [0,1,0,1,0,0|2,0,0]=4 613 B9R1.2 CSc1cc[nH]c(=O)c1 62a_200000210301_100009816521 [0,1,0,1,0,0|2,0,0]=4 614 B9R1.2 CSc1cc[nH]c(=O)n1 62a_200000210301_200000134032 [0,1,0,1,0,0|2,0,0]=4 615 B9R1.2 CSc1cccc(=O)[nH]1 62a_200000210301_100000752884 [0,1,0,1,0,0|1,0,0]=3 616 B9R1.2 CSc1cccc(c1)Br 62a_100000691529_200000210301 [0,1,0,1,0,0|2,0,0]=4 617 B9R1.2 CSc1cccc(c1)Br 62a_200000210301_100000691529 [0,1,0,1,0,0|2,0,0]=4 618 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [0,1,0,1,0,0|2,0,0]=4 619 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [0,1,0,1,0,0|2,0,0]=4 620 B9R1.2 CSc1cccc(c1)Cl 62a_100000699651_200000210301 [0,1,0,1,0,0|2,0,0]=4 621 B9R1.2 CSc1cccc(c1)Cl 62a_200000210301_100000699651 [0,1,0,1,0,0|2,0,0]=4 622 B9R1.2 CSc1cccc(c1)F 62a_100000685547_200000210301 [0,1,0,1,0,0|2,0,0]=4 623 B9R1.2 CSc1cccc(c1)F 62a_200000210301_100000685547 [0,1,0,1,0,0|2,0,0]=4 624 B9R1.2 CSc1cccc(c1)N 62a_100000210019_200000210301 [0,1,0,1,0,0|2,0,0]=4 625 B9R1.2 CSc1cccc(c1)N 62a_200000210301_100000210019 [0,1,0,1,0,0|2,0,0]=4 626 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [0,1,0,1,0,0|1,0,1]=4 627 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [0,1,0,1,0,0|1,0,1]=4 628 B9R1.2 CSc1cccc(c1)[S] 62a_114929384022_200000210301 [0,1,0,1,0,0|1,1,0]=4 629 B9R1.2 CSc1cccc(c1)[S] 62a_200000210301_114929384022 [0,1,0,1,0,0|1,1,0]=4 630 B9R1.2 CSc1cccc(n1)Br 62a_100000684672_200000210301 [0,1,0,1,0,0|2,0,0]=4 631 B9R1.2 CSc1cccc(n1)Br 62a_200000210301_100000684672 [0,1,0,1,0,0|2,0,0]=4 632 B9R1.2 CSc1cccc(n1)C 62a_100000742759_200000210301 [0,1,0,1,0,0|2,0,0]=4 633 B9R1.2 CSc1cccc(n1)C 62a_200000210301_100000742759 [0,1,0,1,0,0|2,0,0]=4 634 B9R1.2 CSc1cccc(n1)Cl 62a_100000051397_200000210301 [0,1,0,1,0,0|2,0,0]=4 635 B9R1.2 CSc1cccc(n1)Cl 62a_200000210301_100000051397 [0,1,0,1,0,0|2,0,0]=4 636 B9R1.2 CSc1cccc(n1)F 62a_100009815982_200000210301 [0,1,0,1,0,0|2,0,0]=4 637 B9R1.2 CSc1cccc(n1)F 62a_200000210301_100009815982 [0,1,0,1,0,0|2,0,0]=4 638 B9R1.2 CSc1cccc(n1)N 62a_100000740741_200000210301 [0,1,0,1,0,0|2,0,0]=4 639 B9R1.2 CSc1cccc(n1)N 62a_200000210301_100000740741 [0,1,0,1,0,0|2,0,0]=4 640 B9R1.2 CSc1cccc(n1)O 271570a_203496583355_100011960944 [0,1,0,1,0,0|1,0,1]=4 641 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [0,1,0,1,0,0|2,0,0]=4 642 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [0,1,0,1,0,0|2,0,0]=4 643 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [0,1,0,1,0,0|2,0,0]=4 644 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [0,1,0,1,0,0|2,0,0]=4 645 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [0,1,0,1,0,0|2,0,0]=4 646 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [0,1,0,1,0,0|2,0,0]=4 647 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_100000742759_200025704644 [0,1,0,1,0,0|2,0,0]=4 648 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_200025704644_100000742759 [0,1,0,1,0,0|2,0,0]=4 649 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_100000750283_200025704644 [0,1,0,1,0,0|2,0,0]=4 650 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_200025704644_100000750283 [0,1,0,1,0,0|2,0,0]=4 651 B9R1.2 NCc1cc(ccn1)O 271570a_203496583355_100000085674 [0,1,0,1,0,0|2,0,0]=4 652 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [0,1,0,1,0,0|1,0,1]=4 653 B9R1.2 NCc1cccc(n1)O 271570a_203496583355_100016990191 [0,1,0,1,0,0|1,0,1]=4 654 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [0,1,0,1,0,0|1,0,1]=4 655 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [0,1,0,1,0,0|0,0,2]=4 656 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [0,1,0,1,0,0|1,0,1]=4 657 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [0,1,0,1,0,0|1,0,1]=4 658 B9R1.2 OCc1cc(ccn1)O 271570a_203496583355_100009819072 [0,1,0,1,0,0|2,0,0]=4 659 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [0,1,0,1,0,0|1,0,1]=4 660 B9R1.2 OCc1cccc(n1)O 271570a_203496583355_100000694195 [0,1,0,1,0,0|1,0,1]=4 661 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [0,1,0,1,0,0|1,0,1]=4 662 B9R1.2 [13CH3]Nc1cccc(c1)Br 34a_100000210019_200025704644 [0,1,0,1,0,0|2,0,0]=4 663 B9R1.2 [13CH3]Nc1cccc(c1)Cl 34a_100000185859_200025704644 [0,1,0,1,0,0|2,0,0]=4 664 B9R1.2 [13CH3]Nc1cccc(c1)F 34a_100000210047_200025704644 [0,1,0,1,0,0|2,0,0]=4 665 B9R1.2 [13CH3]Nc1cccc(c1)I 34a_100000211102_200025704644 [0,1,0,1,0,0|2,0,0]=4 666 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [0,1,0,1,0,0|1,0,1]=4 667 B9R1.2 [13CH3]Oc1cc[nH]c(=O)c1 34a_100000032262_200025704644 [0,1,0,1,0,0|2,0,0]=4 668 B9R1.2 [13CH3]Oc1cccc(=O)[nH]1 34a_100000033347_200025704644 [0,1,0,1,0,0|1,0,0]=3 669 B9R1.2 [13CH3]Oc1cccc(c1)Br 34a_100000210342_200025704644 [0,1,0,1,0,0|2,0,0]=4 670 B9R1.2 [13CH3]Oc1cccc(c1)Br 7a_100000210342_200025704644 [0,1,0,1,0,0|2,0,0]=4 671 B9R1.2 [13CH3]Oc1cccc(c1)Cl 34a_100000210295_200025704644 [0,1,0,1,0,0|2,0,0]=4 672 B9R1.2 [13CH3]Oc1cccc(c1)Cl 7a_100000210295_200025704644 [0,1,0,1,0,0|2,0,0]=4 673 B9R1.2 [13CH3]Oc1cccc(c1)F 34a_100000210426_200025704644 [0,1,0,1,0,0|2,0,0]=4 674 B9R1.2 [13CH3]Oc1cccc(c1)F 7a_100000210426_200025704644 [0,1,0,1,0,0|2,0,0]=4 675 B9R1.2 [13CH3]Oc1cccc(c1)I 34a_100000211634_200025704644 [0,1,0,1,0,0|2,0,0]=4 676 B9R1.2 [13CH3]Oc1cccc(c1)I 7a_100000211634_200025704644 [0,1,0,1,0,0|2,0,0]=4 677 B9R1.2 [13CH3]Oc1cccc(c1)N 34a_100000210217_200025704644 [0,1,0,1,0,0|2,0,0]=4 678 B9R1.2 [13CH3]Oc1cccc(n1)F 34a_100011432558_200025704644 [0,1,0,1,0,0|2,0,0]=4 679 B9R1.2 [13CH3]Sc1cc(=O)cc[nH]1 62a_100009817434_200025704644 [0,1,0,1,0,0|2,0,0]=4 680 B9R1.2 [13CH3]Sc1cc(ccn1)Cl 62a_100010167805_200025704644 [0,1,0,1,0,0|2,0,0]=4 681 B9R1.2 [13CH3]Sc1cc(ccn1)Cl 62a_200025704644_100010167805 [0,1,0,1,0,0|2,0,0]=4 682 B9R1.2 [13CH3]Sc1cc(ccn1)F 62a_100000764206_200025704644 [0,1,0,1,0,0|2,0,0]=4 683 B9R1.2 [13CH3]Sc1cc(ccn1)F 62a_200025704644_100000764206 [0,1,0,1,0,0|2,0,0]=4 684 B9R1.2 [13CH3]Sc1cc(ccn1)N 62a_100009814236_200025704644 [0,1,0,1,0,0|2,0,0]=4 685 B9R1.2 [13CH3]Sc1cc(ccn1)N 62a_200025704644_100009814236 [0,1,0,1,0,0|2,0,0]=4 686 B9R1.2 [13CH3]Sc1cc(ccn1)O 62a_200025704644_100000762945 [0,1,0,1,0,0|2,0,0]=4 687 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_100009816521_200025704644 [0,1,0,1,0,0|2,0,0]=4 688 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_200025704644_100009816521 [0,1,0,1,0,0|2,0,0]=4 689 B9R1.2 [13CH3]Sc1cc[nH]c(=O)n1 62a_200025704644_200000134032 [0,1,0,1,0,0|2,0,0]=4 690 B9R1.2 [13CH3]Sc1cccc(=O)[nH]1 62a_200025704644_100000752884 [0,1,0,1,0,0|1,0,0]=3 691 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_100000691529_200025704644 [0,1,0,1,0,0|2,0,0]=4 692 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_200025704644_100000691529 [0,1,0,1,0,0|2,0,0]=4 693 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_100000699651_200025704644 [0,1,0,1,0,0|2,0,0]=4 694 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_200025704644_100000699651 [0,1,0,1,0,0|2,0,0]=4 695 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_100000685547_200025704644 [0,1,0,1,0,0|2,0,0]=4 696 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_200025704644_100000685547 [0,1,0,1,0,0|2,0,0]=4 697 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_100000210019_200025704644 [0,1,0,1,0,0|2,0,0]=4 698 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_200025704644_100000210019 [0,1,0,1,0,0|2,0,0]=4 699 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [0,1,0,1,0,0|1,0,1]=4 700 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_114929384022_200025704644 [0,1,0,1,0,0|1,1,0]=4 701 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_200025704644_114929384022 [0,1,0,1,0,0|1,1,0]=4 702 B9R1.2 [13CH3]Sc1cccc(n1)Br 62a_100000684672_200025704644 [0,1,0,1,0,0|2,0,0]=4 703 B9R1.2 [13CH3]Sc1cccc(n1)Br 62a_200025704644_100000684672 [0,1,0,1,0,0|2,0,0]=4 704 B9R1.2 [13CH3]Sc1cccc(n1)Cl 62a_100000051397_200025704644 [0,1,0,1,0,0|2,0,0]=4 705 B9R1.2 [13CH3]Sc1cccc(n1)Cl 62a_200025704644_100000051397 [0,1,0,1,0,0|2,0,0]=4 706 B9R1.2 [13CH3]Sc1cccc(n1)F 62a_100009815982_200025704644 [0,1,0,1,0,0|2,0,0]=4 707 B9R1.2 [13CH3]Sc1cccc(n1)F 62a_200025704644_100009815982 [0,1,0,1,0,0|2,0,0]=4 708 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_100000740741_200025704644 [0,1,0,1,0,0|2,0,0]=4 709 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_200025704644_100000740741 [0,1,0,1,0,0|2,0,0]=4 710 B9R1.7 CC=Cc1cc(cs1)C 271570a_100016259895_100009876951 [0,1,0,1,0,0|0,1,1]=4 711 B9R1.7 CC=Cc1ccc(s1)Br 271570a_100016259895_100010197418 [0,1,0,1,0,0|0,1,1]=4 712 B9R1.7 CC=Cc1ccc(s1)C 271570a_100016259895_100000761539 [0,1,0,1,0,0|0,1,1]=4 713 B9R1.7 CC=Cc1ccn(n1)C 271570a_100016259895_100000752436 [0,1,0,1,0,0|2,0,0]=4 714 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [0,1,0,1,0,0|0,0,2]=4 715 B9R1.7 CCSc1cc(cs1)C 62a_100000210202_100009876951 [0,1,0,1,0,0|1,1,0]=4 716 B9R1.7 CCSc1cc(cs1)C 62a_100009876951_100000210202 [0,1,0,1,0,0|1,1,0]=4 717 B9R1.7 CCSc1ccc(s1)Br 62a_100000210202_100010197418 [0,1,0,1,0,0|1,1,0]=4 718 B9R1.7 CCSc1ccc(s1)Br 62a_100010197418_100000210202 [0,1,0,1,0,0|1,1,0]=4 719 B9R1.7 CCSc1ccc(s1)C 62a_100000031368_100000210202 [0,1,0,1,0,0|1,1,0]=4 720 B9R1.7 CCSc1ccc(s1)C 62a_100000210202_100000031368 [0,1,0,1,0,0|1,1,0]=4 721 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [0,1,0,1,0,0|1,0,1]=4 722 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [0,1,0,1,0,0|1,0,1]=4 723 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [0,1,0,1,0,0|1,0,1]=4 724 B9R1.8 CC=Cc1cccnn1 271570a_100016259895_100016991348 [0,1,0,1,0,0|1,0,1]=4 725 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [0,1,0,1,0,0|1,0,1]=4 726 B9R1.8 CC=Cc1ccncn1 271570a_100016259895_100000703185 [0,1,0,1,0,0|1,0,1]=4 727 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [0,1,0,1,0,0|1,0,1]=4 728 B9R1.8 CC=Cc1ncccn1 271570a_100016259895_100000211032 [0,1,0,1,0,0|1,0,1]=4 729 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [0,1,0,1,0,0|1,0,0]=3 730 B9R1.8 CCNc1cccnn1 27a_100015525214_100016991348 [0,1,0,1,0,0|2,0,0]=4 731 B9R1.8 CCNc1ccncn1 27a_100015525214_100000703185 [0,1,0,1,0,0|2,0,0]=4 732 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [0,1,0,1,0,0|2,0,0]=4 733 B9R1.8 CCNc1ncccn1 27a_100015525214_100000211032 [0,1,0,1,0,0|2,0,0]=4 734 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [0,1,0,1,0,0|1,0,0]=3 735 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [0,1,0,1,0,0|1,0,0]=3 736 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [0,1,0,1,0,0|2,0,0]=4 737 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [0,1,0,1,0,0|2,0,0]=4 738 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [0,1,0,1,0,0|2,0,0]=4 739 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [0,1,0,1,0,0|1,0,0]=3 740 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [0,1,0,1,0,0|1,0,0]=3 741 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [0,1,0,1,0,0|1,0,0]=3 742 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [0,1,0,1,0,0|1,0,0]=3 743 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [0,1,0,1,0,0|2,0,0]=4 744 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [0,1,0,1,0,0|2,0,0]=4 745 B9R1.8 CCSc1cccnn1 62a_100000210202_100016991348 [0,1,0,1,0,0|2,0,0]=4 746 B9R1.8 CCSc1cccnn1 62a_100016991348_100000210202 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [0,1,0,1,0,0|2,0,0]=4 748 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [0,1,0,1,0,0|2,0,0]=4 749 B9R1.8 CCSc1ccncn1 62a_100000210202_100000703185 [0,1,0,1,0,0|2,0,0]=4 750 B9R1.8 CCSc1ccncn1 62a_100000703185_100000210202 [0,1,0,1,0,0|2,0,0]=4 751 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [0,1,0,1,0,0|2,0,0]=4 752 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [0,1,0,1,0,0|2,0,0]=4 753 B9R1.8 CCSc1ncccn1 62a_100000210202_100000211032 [0,1,0,1,0,0|2,0,0]=4 754 B9R1.8 CCSc1ncccn1 62a_100000211032_100000210202 [0,1,0,1,0,0|2,0,0]=4 755 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [0,1,0,1,0,0|1,0,0]=3 756 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [0,1,0,1,0,0|1,0,0]=3 757 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [0,1,0,1,0,0|1,0,0]=3 758 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [0,1,0,1,0,0|1,0,0]=3 759 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [0,1,0,1,0,0|1,0,0]=3 760 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [0,1,0,1,0,0|1,0,0]=3 761 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [0,1,0,1,0,0|1,0,0]=3 762 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [0,1,0,1,0,0|1,0,0]=3 763 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [0,1,0,1,0,0|1,0,0]=3 764 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [0,1,0,1,0,0|1,0,0]=3 765 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [0,1,0,1,0,0|1,0,0]=3 766 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [0,1,0,1,0,0|1,0,0]=3 767 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [0,1,0,1,0,0|2,0,0]=4 768 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [0,1,0,1,0,0|2,0,0]=4 769 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [0,1,0,1,0,0|2,0,0]=4 770 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [0,1,0,1,0,0|2,0,0]=4 771 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [0,1,0,1,0,0|2,0,0]=4 772 B9R1.8 CNCc1cccnn1 2230a_100159270163_200000210301 [0,1,0,1,0,0|2,0,0]=4 773 B9R1.8 CNCc1cccnn1 2230a_106832991635_100016990269 [0,1,0,1,0,0|2,0,0]=4 774 B9R1.8 CNCc1cccnn1 34a_100102657272_100016990269 [0,1,0,1,0,0|2,0,0]=4 775 B9R1.8 CNCc1cccnn1 7a_106832991635_100016990269 [0,1,0,1,0,0|2,0,0]=4 776 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [0,1,0,1,0,0|2,0,0]=4 777 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [0,1,0,1,0,0|2,0,0]=4 778 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [0,1,0,1,0,0|2,0,0]=4 779 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [0,1,0,1,0,0|2,0,0]=4 780 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [0,1,0,1,0,0|2,0,0]=4 781 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [0,1,0,1,0,0|2,0,0]=4 782 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [0,1,0,1,0,0|2,0,0]=4 783 B9R1.8 CNCc1ncccn1 2230a_106832991635_100000703007 [0,1,0,1,0,0|2,0,0]=4 784 B9R1.8 CNCc1ncccn1 270004a_106832991635_100011532527 [0,1,0,1,0,0|2,0,0]=4 785 B9R1.8 CNCc1ncccn1 34a_100102657272_100000703007 [0,1,0,1,0,0|2,0,0]=4 786 B9R1.8 CNCc1ncccn1 7a_106832991635_100000703007 [0,1,0,1,0,0|2,0,0]=4 787 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [0,1,0,1,0,0|1,0,0]=3 788 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [0,1,0,1,0,0|1,0,0]=3 789 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [0,1,0,1,0,0|1,0,0]=3 790 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [0,1,0,1,0,0|1,0,0]=3 791 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [0,1,0,1,0,0|2,0,0]=4 792 B9R1.8 COCc1cccnn1 34a_100138415774_100016990269 [0,1,0,1,0,0|2,0,0]=4 793 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [0,1,0,1,0,0|2,0,0]=4 794 B9R1.8 COCc1ncccn1 34a_100138415774_100000703007 [0,1,0,1,0,0|2,0,0]=4 795 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [0,1,0,1,0,0|1,0,0]=3 796 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [0,1,0,1,0,0|1,0,0]=3 797 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [0,1,0,1,0,0|1,0,0]=3 798 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [0,1,0,1,0,0|1,0,0]=3 799 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [0,1,0,1,0,0|2,0,0]=4 800 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [0,1,0,1,0,0|2,0,0]=4 801 B9R1.8 CSCc1cccnn1 62a_100016990269_200000210301 [0,1,0,1,0,0|2,0,0]=4 802 B9R1.8 CSCc1cccnn1 62a_200000210301_100016990269 [0,1,0,1,0,0|2,0,0]=4 803 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [0,1,0,1,0,0|2,0,0]=4 804 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [0,1,0,1,0,0|2,0,0]=4 805 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [0,1,0,1,0,0|2,0,0]=4 806 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [0,1,0,1,0,0|2,0,0]=4 807 B9R1.8 CSCc1ncccn1 62a_100000703007_200000210301 [0,1,0,1,0,0|2,0,0]=4 808 B9R1.8 CSCc1ncccn1 62a_200000210301_100000703007 [0,1,0,1,0,0|2,0,0]=4 809 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [0,1,0,1,0,0|2,0,0]=4 810 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [0,1,0,1,0,0|2,0,0]=4 811 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [0,1,0,1,0,0|2,0,0]=4 812 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [0,1,0,1,0,0|2,0,0]=4 813 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [0,1,0,1,0,0|2,0,0]=4 814 B9R1.8 FCSc1ccccn1 62a_100011216584_100015361967 [0,1,0,1,0,0|2,0,0]=4 815 B9R1.8 FCSc1ccccn1 62a_100015361967_100011216584 [0,1,0,1,0,0|2,0,0]=4 816 B9R1.8 O=CCN1CC=CCC1 2230a_100000698166_200015260668 [0,1,0,1,0,0|0,0,2]=4 817 B9R1.8 O=CCN1CC=CCC1 269982a_100000698166_200015260668 [0,1,0,1,0,0|0,0,2]=4 818 B9R1.8 O=CCN1CC=CCC1 34a_100000698166_200009817547 [0,1,0,1,0,0|0,0,2]=4 819 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [0,1,0,1,0,0|1,0,0]=3 820 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [0,1,0,1,0,0|1,0,0]=3 821 B9R1.8 [13CH3]NCc1cccnn1 2230a_100159270163_200025704644 [0,1,0,1,0,0|2,0,0]=4 822 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [0,1,0,1,0,0|1,0,0]=3 823 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [0,1,0,1,0,0|1,0,0]=3 824 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [0,1,0,1,0,0|1,0,0]=3 825 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [0,1,0,1,0,0|1,0,0]=3 826 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [0,1,0,1,0,0|1,0,0]=3 827 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [0,1,0,1,0,0|1,0,0]=3 828 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [0,1,0,1,0,0|2,0,0]=4 829 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [0,1,0,1,0,0|2,0,0]=4 830 B9R1.8 [13CH3]SCc1cccnn1 62a_100016990269_200025704644 [0,1,0,1,0,0|2,0,0]=4 831 B9R1.8 [13CH3]SCc1cccnn1 62a_200025704644_100016990269 [0,1,0,1,0,0|2,0,0]=4 832 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [0,1,0,1,0,0|2,0,0]=4 833 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [0,1,0,1,0,0|2,0,0]=4 834 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [0,1,0,1,0,0|2,0,0]=4 835 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [0,1,0,1,0,0|2,0,0]=4 836 B9R1.8 [13CH3]SCc1ncccn1 62a_100000703007_200025704644 [0,1,0,1,0,0|2,0,0]=4 837 B9R1.8 [13CH3]SCc1ncccn1 62a_200025704644_100000703007 [0,1,0,1,0,0|2,0,0]=4 838 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [0,1,0,1,0,0|0,0,2]=4 839 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [0,1,0,1,0,0|0,1,1]=4 840 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [0,1,0,1,0,0|0,0,2]=4 841 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [0,1,0,1,0,0|0,0,2]=4 842 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [0,1,0,1,0,0|0,1,1]=4 843 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [0,1,0,1,0,0|0,1,1]=4 844 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [0,1,0,1,0,0|0,0,2]=4 845 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [0,1,0,1,0,0|0,0,2]=4 846 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [0,1,0,1,0,0|0,0,2]=4 847 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [0,1,0,1,0,0|0,0,2]=4 848 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [0,1,0,1,0,0|0,1,1]=4 849 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [0,1,0,1,0,0|0,1,1]=4 850 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [0,1,0,1,0,0|0,1,1]=4 851 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [0,1,0,1,0,0|0,0,2]=4 852 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [0,1,0,1,0,0|0,1,1]=4 853 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [0,1,0,1,0,0|0,0,2]=4 854 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [0,1,0,1,0,0|0,0,2]=4 855 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [0,1,0,1,0,0|0,1,1]=4 856 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [0,1,0,1,0,0|0,1,1]=4 857 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [0,1,0,1,0,0|0,1,1]=4 858 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [0,1,0,1,0,0|0,1,1]=4 859 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [0,1,0,1,0,0|0,1,1]=4 860 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [0,1,0,1,0,0|0,1,1]=4 861 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [0,1,0,1,0,0|0,1,1]=4 862 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [0,1,0,1,0,0|0,1,1]=4 863 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [0,1,0,1,0,0|1,0,1]=4 864 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [0,1,0,1,0,0|1,0,1]=4 865 B9R1.12 COCSc1cccs1 62a_100000766300_100011215356 [0,1,0,1,0,0|1,1,0]=4 866 B9R1.12 COCSc1cccs1 62a_100011215356_100000766300 [0,1,0,1,0,0|1,1,0]=4 867 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [0,1,0,1,0,0|0,1,1]=4 868 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [0,1,0,1,0,0|0,1,1]=4 869 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [0,1,0,1,0,0|1,0,1]=4 870 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [0,1,0,1,0,0|1,0,1]=4 871 B9R1.12 CSCSc1cccs1 62a_100011215356_100011218213 [0,1,0,1,0,0|1,1,0]=4 872 B9R1.12 CSCSc1cccs1 62a_100011218213_100011215356 [0,1,0,1,0,0|1,1,0]=4 873 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [0,1,0,1,0,0|1,0,1]=4 874 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [0,1,0,1,0,0|1,0,1]=4 875 B9R1.12 FCCSc1cccs1 62a_100011215356_100011217306 [0,1,0,1,0,0|1,1,0]=4 876 B9R1.12 FCCSc1cccs1 62a_100011217306_100011215356 [0,1,0,1,0,0|1,1,0]=4 877 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [0,1,0,1,0,0|1,0,1]=4 878 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [0,1,0,1,0,0|1,0,1]=4 879 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [0,1,0,1,0,0|1,1,0]=4 880 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [0,1,0,1,0,0|1,1,0]=4 881 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [0,1,0,1,0,0|0,0,2]=4 882 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [0,1,0,1,0,0|0,0,2]=4 883 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [0,1,0,1,0,0|0,1,1]=4 884 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [0,1,0,1,0,0|0,1,1]=4 885 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [0,1,0,1,0,0|0,1,1]=4 886 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [0,1,0,1,0,0|0,1,1]=4 887 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [0,1,0,1,0,0|0,1,1]=4 888 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [0,1,0,1,0,0|0,1,1]=4 889 B9R1.15 C=Cc1c[nH]ccc1=O 271570a_100011290941_100009998708 [0,1,0,1,0,0|0,0,2]=4 890 B9R1.15 C=Cc1ccc[nH]c1=O 271570a_100011290941_100000050042 [0,1,0,1,0,0|0,0,2]=4 891 B9R1.15 C=Cc1cccc[n+]1C 271570a_100011290941_100000212160 [0,1,0,1,0,0|1,0,1]=4 892 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [0,1,0,1,0,0|1,0,1]=4 893 B9R1.15 C=Cc1cccnc1C 271570a_100011290941_100000751574 [0,1,0,1,0,0|1,0,1]=4 894 B9R1.15 C=Cc1ccncc1C 271570a_100011290941_100015191297 [0,1,0,1,0,0|1,0,1]=4 895 B9R1.15 C=Cc1cnccc1C 271570a_100011290941_100000761580 [0,1,0,1,0,0|1,0,1]=4 896 B9R1.15 C=Cc1ncccc1C 271570a_100011290941_100000751373 [0,1,0,1,0,0|1,0,1]=4 897 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [0,1,0,1,0,0|0,0,1]=3 898 B9R1.15 CCc1ccncc1O 271570a_203496583355_100009819861 [0,1,0,1,0,0|0,0,1]=3 899 B9R1.15 CCc1cnccc1O 271570a_203496583355_100025704421 [0,1,0,1,0,0|0,0,1]=3 900 B9R1.15 CCc1cncnc1O 271570a_203496583355_200000100055 [0,1,0,1,0,0|1,0,1]=4 901 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [0,1,0,1,0,0|0,0,1]=3 902 B9R1.15 CCc1nccnc1O 271570a_203496583355_100011995844 [0,1,0,1,0,0|1,0,1]=4 903 B9R1.15 CCc1ncncc1O 271570a_203496583355_100009816992 [0,1,0,1,0,0|1,0,1]=4 904 B9R1.15 CNc1ccccc1Br 34a_100000210017_200000210301 [0,1,0,1,0,0|1,0,1]=4 905 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [0,1,0,1,0,0|1,0,1]=4 906 B9R1.15 CNc1ccccc1Cl 34a_100000185783_200000210301 [0,1,0,1,0,0|1,0,1]=4 907 B9R1.15 CNc1ccccc1F 34a_100000210422_200000210301 [0,1,0,1,0,0|1,0,1]=4 908 B9R1.15 CNc1ccccc1I 34a_100000210053_200000210301 [0,1,0,1,0,0|1,0,1]=4 909 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [0,1,0,1,0,0|0,0,2]=4 910 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [0,1,0,1,0,0|0,0,2]=4 911 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [0,1,0,1,0,0|1,0,1]=4 912 B9R1.15 CNc1ccn[nH]c1=O 27a_100102657272_100000087129 [0,1,0,1,0,0|2,0,0]=4 913 B9R1.15 CNc1ccncc1Br 27a_100102657272_100000726257 [0,1,0,1,0,0|2,0,0]=4 914 B9R1.15 CNc1ccncc1C 27a_100102657272_100000765111 [0,1,0,1,0,0|2,0,0]=4 915 B9R1.15 CNc1ccncc1F 27a_100102657272_100000035921 [0,1,0,1,0,0|2,0,0]=4 916 B9R1.15 CNc1ccncc1O 271570a_203496583355_100010069531 [0,1,0,1,0,0|1,0,1]=4 917 B9R1.15 CNc1ncccc1Br 27a_100102657272_100000696092 [0,1,0,1,0,0|2,0,0]=4 918 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [0,1,0,1,0,0|1,0,1]=4 919 B9R1.15 COc1cccc[n+]1[O-] 7a_100000211761_200000210301 [0,1,0,1,0,0|1,0,1]=4 920 B9R1.15 COc1ccccc1Br 34a_100000181306_200000210301 [0,1,0,1,0,0|1,0,1]=4 921 B9R1.15 COc1ccccc1Br 7a_100000181306_200000210301 [0,1,0,1,0,0|1,0,1]=4 922 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [0,1,0,1,0,0|0,0,2]=4 923 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [0,1,0,1,0,0|0,0,2]=4 924 B9R1.15 COc1ccccc1Cl 34a_100000210172_200000210301 [0,1,0,1,0,0|1,0,1]=4 925 B9R1.15 COc1ccccc1Cl 7a_100000210172_200000210301 [0,1,0,1,0,0|1,0,1]=4 926 B9R1.15 COc1ccccc1F 34a_100000210171_200000210301 [0,1,0,1,0,0|1,0,1]=4 927 B9R1.15 COc1ccccc1F 7a_100000210171_200000210301 [0,1,0,1,0,0|1,0,1]=4 928 B9R1.15 COc1ccccc1I 34a_100000739446_200000210301 [0,1,0,1,0,0|1,0,1]=4 929 B9R1.15 COc1ccccc1I 7a_100000739446_200000210301 [0,1,0,1,0,0|1,0,1]=4 930 B9R1.15 COc1ccccc1N 34a_100000185747_200000210301 [0,1,0,1,0,0|1,0,1]=4 931 B9R1.15 COc1ccccc1N 7a_100000185747_200000210301 [0,1,0,1,0,0|1,0,1]=4 932 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [0,1,0,1,0,0|0,0,2]=4 933 B9R1.15 COc1cccnc1Br 34a_100000744436_200000210301 [0,1,0,1,0,0|2,0,0]=4 934 B9R1.15 COc1cccnc1Br 7a_100000744436_200000210301 [0,1,0,1,0,0|2,0,0]=4 935 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [0,1,0,1,0,0|2,0,0]=4 936 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [0,1,0,1,0,0|2,0,0]=4 937 B9R1.15 COc1cccnc1Cl 34a_100000757616_200000210301 [0,1,0,1,0,0|2,0,0]=4 938 B9R1.15 COc1cccnc1Cl 7a_100000757616_200000210301 [0,1,0,1,0,0|2,0,0]=4 939 B9R1.15 COc1cccnc1F 34a_100000061740_200000210301 [0,1,0,1,0,0|2,0,0]=4 940 B9R1.15 COc1cccnc1F 7a_100000061740_200000210301 [0,1,0,1,0,0|2,0,0]=4 941 B9R1.15 COc1cccnc1I 34a_100000034122_200000210301 [0,1,0,1,0,0|2,0,0]=4 942 B9R1.15 COc1cccnc1I 7a_100000034122_200000210301 [0,1,0,1,0,0|2,0,0]=4 943 B9R1.15 COc1cccnc1N 34a_100000211975_200000210301 [0,1,0,1,0,0|2,0,0]=4 944 B9R1.15 COc1cccnc1N 7a_100000211975_200000210301 [0,1,0,1,0,0|2,0,0]=4 945 B9R1.15 COc1cccnc1O 271570a_203496583355_100000690851 [0,1,0,1,0,0|1,0,1]=4 946 B9R1.15 COc1cccoc1=O 34a_100000077404_200000210301 [0,1,0,1,0,0|1,0,0]=3 947 B9R1.15 COc1cccoc1=O 7a_100000077404_200000210301 [0,1,0,1,0,0|1,0,0]=3 948 B9R1.15 COc1ccncc1Br 34a_100011996408_200000210301 [0,1,0,1,0,0|2,0,0]=4 949 B9R1.15 COc1ccncc1C 34a_100000694293_200000210301 [0,1,0,1,0,0|2,0,0]=4 950 B9R1.15 COc1ccncc1Cl 34a_100011997054_200000210301 [0,1,0,1,0,0|2,0,0]=4 951 B9R1.15 COc1ccncc1F 34a_200000081243_200000210301 [0,1,0,1,0,0|2,0,0]=4 952 B9R1.15 COc1ccncc1O 271570a_203496583355_100011997281 [0,1,0,1,0,0|1,0,1]=4 953 B9R1.15 COc1cnccc1C 34a_100011997053_200000210301 [0,1,0,1,0,0|2,0,0]=4 954 B9R1.15 COc1cnccc1C 7a_100011997053_200000210301 [0,1,0,1,0,0|2,0,0]=4 955 B9R1.15 COc1cnccc1Cl 34a_100011996695_200000210301 [0,1,0,1,0,0|2,0,0]=4 956 B9R1.15 COc1cnccc1I 34a_100000050107_200000210301 [0,1,0,1,0,0|2,0,0]=4 957 B9R1.15 COc1cnccc1N 34a_100000753702_200000210301 [0,1,0,1,0,0|2,0,0]=4 958 B9R1.15 COc1cnccc1O 271570a_203496583355_100016988167 [0,1,0,1,0,0|1,0,1]=4 959 B9R1.15 COc1coccc1=O 34a_100000060831_200000210301 [0,1,0,1,0,0|1,0,0]=3 960 B9R1.15 COc1ncccc1Cl 34a_100011290957_200000210301 [0,1,0,1,0,0|2,0,0]=4 961 B9R1.15 COc1ncccc1F 34a_100011219419_200000210301 [0,1,0,1,0,0|2,0,0]=4 962 B9R1.15 COc1ncccc1N 34a_100000746358_200000210301 [0,1,0,1,0,0|2,0,0]=4 963 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [0,1,0,1,0,0|1,0,1]=4 964 B9R1.15 CSc1c[nH]ccc1=O 62a_100009998708_200000210301 [0,1,0,1,0,0|1,0,0]=3 965 B9R1.15 CSc1c[nH]ccc1=O 62a_200000210301_100009998708 [0,1,0,1,0,0|1,0,0]=3 966 B9R1.15 CSc1c[nH]ccc1=S 62a_200000210301_200012280681 [0,1,0,1,0,0|1,1,0]=4 967 B9R1.15 CSc1c[nH]ccc1=S 62a_200012280681_200000210301 [0,1,0,1,0,0|1,1,0]=4 968 B9R1.15 CSc1cccc[n+]1C 62a_200000210301_100000212160 [0,1,0,1,0,0|1,1,0]=4 969 B9R1.15 CSc1cccc[n+]1[O-] 62a_200000210301_200000042595 [0,1,0,1,0,0|1,0,1]=4 970 B9R1.15 CSc1ccccc1Br 62a_100000695589_200000210301 [0,1,0,1,0,0|1,0,1]=4 971 B9R1.15 CSc1ccccc1Br 62a_200000210301_100000695589 [0,1,0,1,0,0|1,0,1]=4 972 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [0,1,0,1,0,0|0,1,1]=4 973 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [0,1,0,1,0,0|0,1,1]=4 974 B9R1.15 CSc1ccccc1Cl 62a_100000764095_200000210301 [0,1,0,1,0,0|1,0,1]=4 975 B9R1.15 CSc1ccccc1Cl 62a_200000210301_100000764095 [0,1,0,1,0,0|1,0,1]=4 976 B9R1.15 CSc1ccccc1F 62a_100011215700_200000210301 [0,1,0,1,0,0|1,0,1]=4 977 B9R1.15 CSc1ccccc1F 62a_200000210301_100011215700 [0,1,0,1,0,0|1,0,1]=4 978 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [0,1,0,1,0,0|1,0,1]=4 979 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [0,1,0,1,0,0|1,0,1]=4 980 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [0,1,0,1,0,0|0,0,2]=4 981 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [0,1,0,1,0,0|0,0,2]=4 982 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [0,1,0,1,0,0|0,0,2]=4 983 B9R1.15 CSc1cccnc1Br 62a_100010202626_200000210301 [0,1,0,1,0,0|2,0,0]=4 984 B9R1.15 CSc1cccnc1Br 62a_200000210301_100010202626 [0,1,0,1,0,0|2,0,0]=4 985 B9R1.15 CSc1cccnc1C 62a_100000751574_200000210301 [0,1,0,1,0,0|2,0,0]=4 986 B9R1.15 CSc1cccnc1C 62a_200000210301_100000751574 [0,1,0,1,0,0|2,0,0]=4 987 B9R1.15 CSc1cccnc1Cl 62a_100000036424_200000210301 [0,1,0,1,0,0|2,0,0]=4 988 B9R1.15 CSc1cccnc1Cl 62a_200000210301_100000036424 [0,1,0,1,0,0|2,0,0]=4 989 B9R1.15 CSc1cccnc1F 62a_100009816115_200000210301 [0,1,0,1,0,0|2,0,0]=4 990 B9R1.15 CSc1cccnc1F 62a_200000210301_100009816115 [0,1,0,1,0,0|2,0,0]=4 991 B9R1.15 CSc1cccnc1N 62a_100000045569_200000210301 [0,1,0,1,0,0|2,0,0]=4 992 B9R1.15 CSc1cccnc1N 62a_200000210301_100000045569 [0,1,0,1,0,0|2,0,0]=4 993 B9R1.15 CSc1cccnc1O 62a_100000760158_200000210301 [0,1,0,1,0,0|1,0,1]=4 994 B9R1.15 CSc1cccnc1O 62a_200000210301_100000760158 [0,1,0,1,0,0|1,0,1]=4 995 B9R1.15 CSc1ccn[nH]c1=O 62a_200000210301_100000087129 [0,1,0,1,0,0|2,0,0]=4 996 B9R1.15 CSc1ccncc1Br 62a_100000726257_200000210301 [0,1,0,1,0,0|2,0,0]=4 997 B9R1.15 CSc1ccncc1Br 62a_200000210301_100000726257 [0,1,0,1,0,0|2,0,0]=4 998 B9R1.15 CSc1ccncc1C 62a_100000765111_200000210301 [0,1,0,1,0,0|2,0,0]=4 999 B9R1.15 CSc1ccncc1C 62a_200000210301_100000765111 [0,1,0,1,0,0|2,0,0]=4 1000 B9R1.15 CSc1ccncc1Cl 62a_100000708259_200000210301 [0,1,0,1,0,0|2,0,0]=4 1001 B9R1.15 CSc1ccncc1Cl 62a_200000210301_100000708259 [0,1,0,1,0,0|2,0,0]=4 1002 B9R1.15 CSc1ccncc1F 62a_100000047030_200000210301 [0,1,0,1,0,0|2,0,0]=4 1003 B9R1.15 CSc1ccncc1F 62a_200000210301_100000047030 [0,1,0,1,0,0|2,0,0]=4 1004 B9R1.15 CSc1ccncc1N 62a_100000756074_200000210301 [0,1,0,1,0,0|2,0,0]=4 1005 B9R1.15 CSc1ccncc1N 62a_200000210301_100000756074 [0,1,0,1,0,0|2,0,0]=4 1006 B9R1.15 CSc1ccncc1O 62a_100009817591_200000210301 [0,1,0,1,0,0|1,0,1]=4 1007 B9R1.15 CSc1ccncc1O 62a_200000210301_100009817591 [0,1,0,1,0,0|1,0,1]=4 1008 B9R1.15 CSc1cnccc1Br 62a_100010138639_200000210301 [0,1,0,1,0,0|2,0,0]=4 1009 B9R1.15 CSc1cnccc1Br 62a_200000210301_100010138639 [0,1,0,1,0,0|2,0,0]=4 1010 B9R1.15 CSc1cnccc1C 62a_100000761580_200000210301 [0,1,0,1,0,0|2,0,0]=4 1011 B9R1.15 CSc1cnccc1C 62a_200000210301_100000761580 [0,1,0,1,0,0|2,0,0]=4 1012 B9R1.15 CSc1cnccc1Cl 62a_100009995489_200000210301 [0,1,0,1,0,0|2,0,0]=4 1013 B9R1.15 CSc1cnccc1Cl 62a_200000210301_100009995489 [0,1,0,1,0,0|2,0,0]=4 1014 B9R1.15 CSc1cnccc1F 62a_100009820683_200000210301 [0,1,0,1,0,0|2,0,0]=4 1015 B9R1.15 CSc1cnccc1F 62a_200000210301_100009820683 [0,1,0,1,0,0|2,0,0]=4 1016 B9R1.15 CSc1cnccc1N 62a_100000047001_200000210301 [0,1,0,1,0,0|2,0,0]=4 1017 B9R1.15 CSc1cnccc1N 62a_200000210301_100000047001 [0,1,0,1,0,0|2,0,0]=4 1018 B9R1.15 CSc1ncc[nH]c1=O 62a_200000210301_100000763361 [0,1,0,1,0,0|2,0,0]=4 1019 B9R1.15 CSc1ncccc1Br 62a_100000696092_200000210301 [0,1,0,1,0,0|2,0,0]=4 1020 B9R1.15 CSc1ncccc1Br 62a_200000210301_100000696092 [0,1,0,1,0,0|2,0,0]=4 1021 B9R1.15 CSc1ncccc1C 62a_100000751373_200000210301 [0,1,0,1,0,0|2,0,0]=4 1022 B9R1.15 CSc1ncccc1C 62a_200000210301_100000751373 [0,1,0,1,0,0|2,0,0]=4 1023 B9R1.15 CSc1ncccc1Cl 62a_100011356963_200000210301 [0,1,0,1,0,0|2,0,0]=4 1024 B9R1.15 CSc1ncccc1Cl 62a_200000210301_100011356963 [0,1,0,1,0,0|2,0,0]=4 1025 B9R1.15 CSc1ncccc1F 62a_100000685392_200000210301 [0,1,0,1,0,0|2,0,0]=4 1026 B9R1.15 CSc1ncccc1F 62a_200000210301_100000685392 [0,1,0,1,0,0|2,0,0]=4 1027 B9R1.15 CSc1ncccc1N 62a_100000688686_200000210301 [0,1,0,1,0,0|2,0,0]=4 1028 B9R1.15 CSc1ncccc1N 62a_200000210301_100000688686 [0,1,0,1,0,0|2,0,0]=4 1029 B9R1.15 CSc1ncccc1O 271570a_203496583355_100011465278 [0,1,0,1,0,0|1,0,1]=4 1030 B9R1.15 CSc1ncccc1O 62a_100000034122_200000210301 [0,1,0,1,0,0|1,0,1]=4 1031 B9R1.15 CSc1ncccc1O 62a_200000210301_100000034122 [0,1,0,1,0,0|1,0,1]=4 1032 B9R1.15 C[n+]1ccccc1S[13CH3] 62a_200025704644_100000212160 [0,1,0,1,0,0|1,1,0]=4 1033 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [0,1,0,1,0,0|1,0,1]=4 1034 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [0,1,0,1,0,0|0,0,2]=4 1035 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [0,1,0,1,0,0|0,0,2]=4 1036 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [0,1,0,1,0,0|0,1,1]=4 1037 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [0,1,0,1,0,0|0,1,1]=4 1038 B9R1.15 Cc1cccnc1S[13CH3] 62a_100000751373_200025704644 [0,1,0,1,0,0|2,0,0]=4 1039 B9R1.15 Cc1cccnc1S[13CH3] 62a_200025704644_100000751373 [0,1,0,1,0,0|2,0,0]=4 1040 B9R1.15 Cc1ccncc1O[13CH3] 34a_100011997053_200025704644 [0,1,0,1,0,0|2,0,0]=4 1041 B9R1.15 Cc1ccncc1O[13CH3] 7a_100011997053_200025704644 [0,1,0,1,0,0|2,0,0]=4 1042 B9R1.15 Cc1ccncc1S[13CH3] 62a_100000761580_200025704644 [0,1,0,1,0,0|2,0,0]=4 1043 B9R1.15 Cc1ccncc1S[13CH3] 62a_200025704644_100000761580 [0,1,0,1,0,0|2,0,0]=4 1044 B9R1.15 Cc1cnccc1O[13CH3] 34a_100000694293_200025704644 [0,1,0,1,0,0|2,0,0]=4 1045 B9R1.15 Cc1cnccc1S[13CH3] 62a_100000765111_200025704644 [0,1,0,1,0,0|2,0,0]=4 1046 B9R1.15 Cc1cnccc1S[13CH3] 62a_200025704644_100000765111 [0,1,0,1,0,0|2,0,0]=4 1047 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [0,1,0,1,0,0|2,0,0]=4 1048 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [0,1,0,1,0,0|2,0,0]=4 1049 B9R1.15 Cc1ncccc1S[13CH3] 62a_100000751574_200025704644 [0,1,0,1,0,0|2,0,0]=4 1050 B9R1.15 Cc1ncccc1S[13CH3] 62a_200025704644_100000751574 [0,1,0,1,0,0|2,0,0]=4 1051 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [0,1,0,1,0,0|0,0,2]=4 1052 B9R1.15 NCc1cccnc1O 271570a_203496583355_100015189234 [0,1,0,1,0,0|1,0,1]=4 1053 B9R1.15 NCc1ccncc1O 271570a_203496583355_100020640021 [0,1,0,1,0,0|1,0,1]=4 1054 B9R1.15 NCc1ncccc1O 271570a_203496583355_100020591323 [0,1,0,1,0,0|1,0,1]=4 1055 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [0,1,0,1,0,0|0,0,2]=4 1056 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [0,1,0,1,0,0|1,0,1]=4 1057 B9R1.15 O=Cc1ccncc1O 271570a_203496583355_100011934409 [0,1,0,1,0,0|1,0,1]=4 1058 B9R1.15 O=Cc1cnccc1O 271570a_203496583355_100000050567 [0,1,0,1,0,0|1,0,1]=4 1059 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [0,1,0,1,0,0|1,0,1]=4 1060 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [0,1,0,1,0,0|0,0,2]=4 1061 B9R1.15 OCc1cccnc1O 271570a_203496583355_100000748726 [0,1,0,1,0,0|1,0,1]=4 1062 B9R1.15 OCc1ccncc1O 271570a_203496583355_100009873359 [0,1,0,1,0,0|1,0,1]=4 1063 B9R1.15 OCc1cnccc1O 271570a_203496583355_100000117392 [0,1,0,1,0,0|1,0,1]=4 1064 B9R1.15 OCc1ncccc1O 271570a_203496583355_100011996772 [0,1,0,1,0,0|1,0,1]=4 1065 B9R1.15 [13CH3]Nc1ccccc1Br 34a_100000210017_200025704644 [0,1,0,1,0,0|1,0,1]=4 1066 B9R1.15 [13CH3]Nc1ccccc1Cl 34a_100000185783_200025704644 [0,1,0,1,0,0|1,0,1]=4 1067 B9R1.15 [13CH3]Nc1ccccc1F 34a_100000210422_200025704644 [0,1,0,1,0,0|1,0,1]=4 1068 B9R1.15 [13CH3]Nc1ccccc1I 34a_100000210053_200025704644 [0,1,0,1,0,0|1,0,1]=4 1069 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [0,1,0,1,0,0|0,0,2]=4 1070 B9R1.15 [13CH3]Oc1cccc[n+]1[O-] 7a_100000211761_200025704644 [0,1,0,1,0,0|1,0,1]=4 1071 B9R1.15 [13CH3]Oc1ccccc1Br 34a_100000181306_200025704644 [0,1,0,1,0,0|1,0,1]=4 1072 B9R1.15 [13CH3]Oc1ccccc1Br 7a_100000181306_200025704644 [0,1,0,1,0,0|1,0,1]=4 1073 B9R1.15 [13CH3]Oc1ccccc1Cl 34a_100000210172_200025704644 [0,1,0,1,0,0|1,0,1]=4 1074 B9R1.15 [13CH3]Oc1ccccc1Cl 7a_100000210172_200025704644 [0,1,0,1,0,0|1,0,1]=4 1075 B9R1.15 [13CH3]Oc1ccccc1F 34a_100000210171_200025704644 [0,1,0,1,0,0|1,0,1]=4 1076 B9R1.15 [13CH3]Oc1ccccc1F 7a_100000210171_200025704644 [0,1,0,1,0,0|1,0,1]=4 1077 B9R1.15 [13CH3]Oc1ccccc1I 34a_100000739446_200025704644 [0,1,0,1,0,0|1,0,1]=4 1078 B9R1.15 [13CH3]Oc1ccccc1I 7a_100000739446_200025704644 [0,1,0,1,0,0|1,0,1]=4 1079 B9R1.15 [13CH3]Oc1ccccc1N 34a_100000185747_200025704644 [0,1,0,1,0,0|1,0,1]=4 1080 B9R1.15 [13CH3]Oc1ccccc1N 7a_100000185747_200025704644 [0,1,0,1,0,0|1,0,1]=4 1081 B9R1.15 [13CH3]Oc1cccnc1Br 34a_100000744436_200025704644 [0,1,0,1,0,0|2,0,0]=4 1082 B9R1.15 [13CH3]Oc1cccnc1Br 7a_100000744436_200025704644 [0,1,0,1,0,0|2,0,0]=4 1083 B9R1.15 [13CH3]Oc1cccnc1Cl 34a_100000757616_200025704644 [0,1,0,1,0,0|2,0,0]=4 1084 B9R1.15 [13CH3]Oc1cccnc1Cl 7a_100000757616_200025704644 [0,1,0,1,0,0|2,0,0]=4 1085 B9R1.15 [13CH3]Oc1cccnc1F 34a_100000061740_200025704644 [0,1,0,1,0,0|2,0,0]=4 1086 B9R1.15 [13CH3]Oc1cccnc1F 7a_100000061740_200025704644 [0,1,0,1,0,0|2,0,0]=4 1087 B9R1.15 [13CH3]Oc1cccnc1I 34a_100000034122_200025704644 [0,1,0,1,0,0|2,0,0]=4 1088 B9R1.15 [13CH3]Oc1cccnc1I 7a_100000034122_200025704644 [0,1,0,1,0,0|2,0,0]=4 1089 B9R1.15 [13CH3]Oc1cccnc1N 34a_100000211975_200025704644 [0,1,0,1,0,0|2,0,0]=4 1090 B9R1.15 [13CH3]Oc1cccnc1N 7a_100000211975_200025704644 [0,1,0,1,0,0|2,0,0]=4 1091 B9R1.15 [13CH3]Oc1cccoc1=O 34a_100000077404_200025704644 [0,1,0,1,0,0|1,0,0]=3 1092 B9R1.15 [13CH3]Oc1cccoc1=O 7a_100000077404_200025704644 [0,1,0,1,0,0|1,0,0]=3 1093 B9R1.15 [13CH3]Oc1ccncc1Br 34a_100011996408_200025704644 [0,1,0,1,0,0|2,0,0]=4 1094 B9R1.15 [13CH3]Oc1ccncc1Cl 34a_100011997054_200025704644 [0,1,0,1,0,0|2,0,0]=4 1095 B9R1.15 [13CH3]Oc1ccncc1F 34a_200000081243_200025704644 [0,1,0,1,0,0|2,0,0]=4 1096 B9R1.15 [13CH3]Oc1cnccc1Cl 34a_100011996695_200025704644 [0,1,0,1,0,0|2,0,0]=4 1097 B9R1.15 [13CH3]Oc1cnccc1I 34a_100000050107_200025704644 [0,1,0,1,0,0|2,0,0]=4 1098 B9R1.15 [13CH3]Oc1cnccc1N 34a_100000753702_200025704644 [0,1,0,1,0,0|2,0,0]=4 1099 B9R1.15 [13CH3]Oc1coccc1=O 34a_100000060831_200025704644 [0,1,0,1,0,0|1,0,0]=3 1100 B9R1.15 [13CH3]Oc1ncccc1Cl 34a_100011290957_200025704644 [0,1,0,1,0,0|2,0,0]=4 1101 B9R1.15 [13CH3]Oc1ncccc1F 34a_100011219419_200025704644 [0,1,0,1,0,0|2,0,0]=4 1102 B9R1.15 [13CH3]Oc1ncccc1N 34a_100000746358_200025704644 [0,1,0,1,0,0|2,0,0]=4 1103 B9R1.15 [13CH3]Sc1c[nH]ccc1=O 62a_100009998708_200025704644 [0,1,0,1,0,0|1,0,0]=3 1104 B9R1.15 [13CH3]Sc1c[nH]ccc1=O 62a_200025704644_100009998708 [0,1,0,1,0,0|1,0,0]=3 1105 B9R1.15 [13CH3]Sc1c[nH]ccc1=S 62a_200012280681_200025704644 [0,1,0,1,0,0|1,1,0]=4 1106 B9R1.15 [13CH3]Sc1c[nH]ccc1=S 62a_200025704644_200012280681 [0,1,0,1,0,0|1,1,0]=4 1107 B9R1.15 [13CH3]Sc1cccc[n+]1[O-] 62a_200025704644_200000042595 [0,1,0,1,0,0|1,0,1]=4 1108 B9R1.15 [13CH3]Sc1ccccc1Br 62a_100000695589_200025704644 [0,1,0,1,0,0|1,0,1]=4 1109 B9R1.15 [13CH3]Sc1ccccc1Br 62a_200025704644_100000695589 [0,1,0,1,0,0|1,0,1]=4 1110 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_100000764095_200025704644 [0,1,0,1,0,0|1,0,1]=4 1111 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_200025704644_100000764095 [0,1,0,1,0,0|1,0,1]=4 1112 B9R1.15 [13CH3]Sc1ccccc1F 62a_100011215700_200025704644 [0,1,0,1,0,0|1,0,1]=4 1113 B9R1.15 [13CH3]Sc1ccccc1F 62a_200025704644_100011215700 [0,1,0,1,0,0|1,0,1]=4 1114 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [0,1,0,1,0,0|1,0,1]=4 1115 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [0,1,0,1,0,0|1,0,1]=4 1116 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [0,1,0,1,0,0|0,0,2]=4 1117 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [0,1,0,1,0,0|0,0,2]=4 1118 B9R1.15 [13CH3]Sc1cccnc1Br 62a_100010202626_200025704644 [0,1,0,1,0,0|2,0,0]=4 1119 B9R1.15 [13CH3]Sc1cccnc1Br 62a_200025704644_100010202626 [0,1,0,1,0,0|2,0,0]=4 1120 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_100000036424_200025704644 [0,1,0,1,0,0|2,0,0]=4 1121 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_200025704644_100000036424 [0,1,0,1,0,0|2,0,0]=4 1122 B9R1.15 [13CH3]Sc1cccnc1F 62a_100009816115_200025704644 [0,1,0,1,0,0|2,0,0]=4 1123 B9R1.15 [13CH3]Sc1cccnc1F 62a_200025704644_100009816115 [0,1,0,1,0,0|2,0,0]=4 1124 B9R1.15 [13CH3]Sc1cccnc1N 62a_100000045569_200025704644 [0,1,0,1,0,0|2,0,0]=4 1125 B9R1.15 [13CH3]Sc1cccnc1N 62a_200025704644_100000045569 [0,1,0,1,0,0|2,0,0]=4 1126 B9R1.15 [13CH3]Sc1cccnc1O 62a_100000760158_200025704644 [0,1,0,1,0,0|1,0,1]=4 1127 B9R1.15 [13CH3]Sc1cccnc1O 62a_200025704644_100000760158 [0,1,0,1,0,0|1,0,1]=4 1128 B9R1.15 [13CH3]Sc1ccn[nH]c1=O 62a_200025704644_100000087129 [0,1,0,1,0,0|2,0,0]=4 1129 B9R1.15 [13CH3]Sc1ccncc1Br 62a_100000726257_200025704644 [0,1,0,1,0,0|2,0,0]=4 1130 B9R1.15 [13CH3]Sc1ccncc1Br 62a_200025704644_100000726257 [0,1,0,1,0,0|2,0,0]=4 1131 B9R1.15 [13CH3]Sc1ccncc1Cl 62a_100000708259_200025704644 [0,1,0,1,0,0|2,0,0]=4 1132 B9R1.15 [13CH3]Sc1ccncc1Cl 62a_200025704644_100000708259 [0,1,0,1,0,0|2,0,0]=4 1133 B9R1.15 [13CH3]Sc1ccncc1F 62a_100000047030_200025704644 [0,1,0,1,0,0|2,0,0]=4 1134 B9R1.15 [13CH3]Sc1ccncc1F 62a_200025704644_100000047030 [0,1,0,1,0,0|2,0,0]=4 1135 B9R1.15 [13CH3]Sc1ccncc1N 62a_100000756074_200025704644 [0,1,0,1,0,0|2,0,0]=4 1136 B9R1.15 [13CH3]Sc1ccncc1N 62a_200025704644_100000756074 [0,1,0,1,0,0|2,0,0]=4 1137 B9R1.15 [13CH3]Sc1ccncc1O 62a_100009817591_200025704644 [0,1,0,1,0,0|1,0,1]=4 1138 B9R1.15 [13CH3]Sc1ccncc1O 62a_200025704644_100009817591 [0,1,0,1,0,0|1,0,1]=4 1139 B9R1.15 [13CH3]Sc1cnccc1Br 62a_100010138639_200025704644 [0,1,0,1,0,0|2,0,0]=4 1140 B9R1.15 [13CH3]Sc1cnccc1Br 62a_200025704644_100010138639 [0,1,0,1,0,0|2,0,0]=4 1141 B9R1.15 [13CH3]Sc1cnccc1Cl 62a_100009995489_200025704644 [0,1,0,1,0,0|2,0,0]=4 1142 B9R1.15 [13CH3]Sc1cnccc1Cl 62a_200025704644_100009995489 [0,1,0,1,0,0|2,0,0]=4 1143 B9R1.15 [13CH3]Sc1cnccc1F 62a_100009820683_200025704644 [0,1,0,1,0,0|2,0,0]=4 1144 B9R1.15 [13CH3]Sc1cnccc1F 62a_200025704644_100009820683 [0,1,0,1,0,0|2,0,0]=4 1145 B9R1.15 [13CH3]Sc1cnccc1N 62a_100000047001_200025704644 [0,1,0,1,0,0|2,0,0]=4 1146 B9R1.15 [13CH3]Sc1cnccc1N 62a_200025704644_100000047001 [0,1,0,1,0,0|2,0,0]=4 1147 B9R1.15 [13CH3]Sc1ncc[nH]c1=O 62a_200025704644_100000763361 [0,1,0,1,0,0|2,0,0]=4 1148 B9R1.15 [13CH3]Sc1ncccc1Br 62a_100000696092_200025704644 [0,1,0,1,0,0|2,0,0]=4 1149 B9R1.15 [13CH3]Sc1ncccc1Br 62a_200025704644_100000696092 [0,1,0,1,0,0|2,0,0]=4 1150 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_100011356963_200025704644 [0,1,0,1,0,0|2,0,0]=4 1151 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_200025704644_100011356963 [0,1,0,1,0,0|2,0,0]=4 1152 B9R1.15 [13CH3]Sc1ncccc1F 62a_100000685392_200025704644 [0,1,0,1,0,0|2,0,0]=4 1153 B9R1.15 [13CH3]Sc1ncccc1F 62a_200025704644_100000685392 [0,1,0,1,0,0|2,0,0]=4 1154 B9R1.15 [13CH3]Sc1ncccc1N 62a_100000688686_200025704644 [0,1,0,1,0,0|2,0,0]=4 1155 B9R1.15 [13CH3]Sc1ncccc1N 62a_200025704644_100000688686 [0,1,0,1,0,0|2,0,0]=4 1156 B9R1.15 [13CH3]Sc1ncccc1O 62a_100000034122_200025704644 [0,1,0,1,0,0|1,0,1]=4 1157 B9R1.15 [13CH3]Sc1ncccc1O 62a_200025704644_100000034122 [0,1,0,1,0,0|1,0,1]=4 1158 B9R1.22 Cc1cc(sc1C=O)O 271570a_203496583355_100010221198 [0,1,0,1,0,0|1,0,1]=4 1159 B9R1.27 Cn1cnc(c1C=O)O 271570a_203496583355_200000040309 [0,1,0,1,0,0|2,0,0]=4 1160 B9R1.27 Cn1ncc(c1C=O)O 271570a_203496583355_100000763672 [0,1,0,1,0,0|2,0,0]=4 1161 B9R1.33 CC=Cc1ccnn1C 271570a_100016259895_100000688441 [0,1,0,1,0,0|2,0,0]=4 1162 B9R1.33 CC=Cc1ccsc1C 271570a_100016259895_100000684487 [0,1,0,1,0,0|1,0,1]=4 1163 B9R1.33 CC=Cc1cncn1C 271570a_100016259895_100009814087 [0,1,0,1,0,0|2,0,0]=4 1164 B9R1.33 CC=Cc1cscc1Br 271570a_100016259895_100010143727 [0,1,0,1,0,0|1,0,1]=4 1165 B9R1.33 CC=Cc1cscc1C 271570a_100016259895_100000759966 [0,1,0,1,0,0|1,0,1]=4 1166 B9R1.33 CC=Cc1nccn1C 271570a_100016259895_100000707724 [0,1,0,1,0,0|2,0,0]=4 1167 B9R1.33 CC=Cc1sccc1Br 271570a_100016259895_100012361411 [0,1,0,1,0,0|0,1,1]=4 1168 B9R1.33 CC=Cc1sccc1C 271570a_100016259895_100000742657 [0,1,0,1,0,0|0,1,1]=4 1169 B9R1.33 CCSc1ccsc1C 62a_100000210202_100000684487 [0,1,0,1,0,0|2,0,0]=4 1170 B9R1.33 CCSc1ccsc1C 62a_100000684487_100000210202 [0,1,0,1,0,0|2,0,0]=4 1171 B9R1.33 CCSc1cscc1Br 62a_100000210202_100010143727 [0,1,0,1,0,0|2,0,0]=4 1172 B9R1.33 CCSc1cscc1Br 62a_100010143727_100000210202 [0,1,0,1,0,0|2,0,0]=4 1173 B9R1.33 CCSc1cscc1C 62a_100000210202_100000759966 [0,1,0,1,0,0|2,0,0]=4 1174 B9R1.33 CCSc1cscc1C 62a_100000759966_100000210202 [0,1,0,1,0,0|2,0,0]=4 1175 B9R1.33 CCSc1sccc1Br 62a_100000210202_100012361411 [0,1,0,1,0,0|1,1,0]=4 1176 B9R1.33 CCSc1sccc1Br 62a_100012361411_100000210202 [0,1,0,1,0,0|1,1,0]=4 1177 B9R1.33 CCSc1sccc1C 62a_100000210202_100010247149 [0,1,0,1,0,0|1,1,0]=4 1178 B9R1.33 CCSc1sccc1C 62a_100010247149_100000210202 [0,1,0,1,0,0|1,1,0]=4 1179 B9R1.33 CNCc1cccn1C 270004a_106832991635_100000211633 [0,1,0,1,0,0|2,0,0]=4 1180 B9R1.33 CNCc1cccn1C 34a_100011219357_200000210301 [0,1,0,1,0,0|2,0,0]=4 1181 B9R1.33 CNCc1ccsc1Br 207a_100102657272_100009816921 [0,1,0,1,0,0|2,0,0]=4 1182 B9R1.33 CNCc1ccsc1Br 2230a_100000727803_200000210301 [0,1,0,1,0,0|2,0,0]=4 1183 B9R1.33 CNCc1ccsc1Br 2230a_106832991635_100009814289 [0,1,0,1,0,0|2,0,0]=4 1184 B9R1.33 CNCc1ccsc1Br 270004a_106832991635_100009816921 [0,1,0,1,0,0|2,0,0]=4 1185 B9R1.33 CNCc1ccsc1Br 34a_100000727803_200000210301 [0,1,0,1,0,0|2,0,0]=4 1186 B9R1.33 CNCc1ccsc1Br 34a_100102657272_100009814289 [0,1,0,1,0,0|2,0,0]=4 1187 B9R1.33 CNCc1ccsc1Br 7a_106832991635_100009814289 [0,1,0,1,0,0|2,0,0]=4 1188 B9R1.33 CNCc1ccsc1Cl 207a_100102657272_100000089901 [0,1,0,1,0,0|2,0,0]=4 1189 B9R1.33 CNCc1ccsc1Cl 2230a_106832991635_100010167017 [0,1,0,1,0,0|2,0,0]=4 1190 B9R1.33 CNCc1ccsc1Cl 270004a_106832991635_100000089901 [0,1,0,1,0,0|2,0,0]=4 1191 B9R1.33 CNCc1ccsc1Cl 34a_100102657272_100010167017 [0,1,0,1,0,0|2,0,0]=4 1192 B9R1.33 CNCc1ccsc1Cl 7a_106832991635_100010167017 [0,1,0,1,0,0|2,0,0]=4 1193 B9R1.33 CNCc1ccsc1O 271570a_203496583355_100009817074 [0,1,0,1,0,0|1,0,1]=4 1194 B9R1.33 CNCc1cscc1Br 207a_100102657272_100000685484 [0,1,0,1,0,0|2,0,0]=4 1195 B9R1.33 CNCc1cscc1Br 270004a_106832991635_100000685484 [0,1,0,1,0,0|2,0,0]=4 1196 B9R1.33 CNCc1cscc1O 271570a_203496583355_100011935083 [0,1,0,1,0,0|1,0,1]=4 1197 B9R1.33 CNCc1occc1Br 270004a_106832991635_100000756499 [0,1,0,1,0,0|2,0,0]=4 1198 B9R1.33 CNCc1occc1C 207a_100102657272_100000763527 [0,1,0,1,0,0|2,0,0]=4 1199 B9R1.33 CNCc1occc1C 270004a_106832991635_100000763527 [0,1,0,1,0,0|2,0,0]=4 1200 B9R1.33 CNCc1sccc1Br 207a_100102657272_100000766043 [0,1,0,1,0,0|2,0,0]=4 1201 B9R1.33 CNCc1sccc1Br 270004a_106832991635_100000766043 [0,1,0,1,0,0|2,0,0]=4 1202 B9R1.33 CNCc1sccc1C 207a_100102657272_100000210881 [0,1,0,1,0,0|2,0,0]=4 1203 B9R1.33 CNCc1sccc1C 2230a_100000238519_200000210301 [0,1,0,1,0,0|2,0,0]=4 1204 B9R1.33 CNCc1sccc1C 270004a_106832991635_100000210881 [0,1,0,1,0,0|2,0,0]=4 1205 B9R1.33 CNCc1sccc1C 34a_100000238519_200000210301 [0,1,0,1,0,0|2,0,0]=4 1206 B9R1.33 CNCc1sccc1Cl 207a_100102657272_100000722334 [0,1,0,1,0,0|2,0,0]=4 1207 B9R1.33 CNCc1sccc1Cl 2230a_100011934584_200000210301 [0,1,0,1,0,0|2,0,0]=4 1208 B9R1.33 CNCc1sccc1Cl 270004a_106832991635_100000722334 [0,1,0,1,0,0|2,0,0]=4 1209 B9R1.33 CNCc1sccc1Cl 34a_100011934584_200000210301 [0,1,0,1,0,0|2,0,0]=4 1210 B9R1.33 CNCc1sccc1O 271570a_203496583355_100000767120 [0,1,0,1,0,0|1,0,1]=4 1211 B9R1.33 COCC1=CCCC1=O 34a_100000087531_200000210301 [0,1,0,1,0,0|0,0,2]=4 1212 B9R1.33 COCc1ccoc1C 34a_100011219433_200000210301 [0,1,0,1,0,0|2,0,0]=4 1213 B9R1.33 COCc1ccoc1C 7a_100011219433_200000210301 [0,1,0,1,0,0|2,0,0]=4 1214 B9R1.33 COCc1ccsc1Br 34a_100009816922_200000210301 [0,1,0,1,0,0|2,0,0]=4 1215 B9R1.33 COCc1ccsc1Br 34a_100138415774_100009814289 [0,1,0,1,0,0|2,0,0]=4 1216 B9R1.33 COCc1ccsc1Br 7a_100009816922_200000210301 [0,1,0,1,0,0|2,0,0]=4 1217 B9R1.33 COCc1ccsc1Cl 34a_100138415774_100010167017 [0,1,0,1,0,0|2,0,0]=4 1218 B9R1.33 COCc1cscc1Br 34a_100000724555_200000210301 [0,1,0,1,0,0|2,0,0]=4 1219 B9R1.33 COCc1occc1C 34a_100011273948_200000210301 [0,1,0,1,0,0|2,0,0]=4 1220 B9R1.33 COCc1occc1C 7a_100011273948_200000210301 [0,1,0,1,0,0|2,0,0]=4 1221 B9R1.33 COCc1sccc1Br 34a_100000702026_200000210301 [0,1,0,1,0,0|2,0,0]=4 1222 B9R1.33 COCc1sccc1C 34a_100000238368_200000210301 [0,1,0,1,0,0|2,0,0]=4 1223 B9R1.33 COCc1sccc1C 7a_100000238368_200000210301 [0,1,0,1,0,0|2,0,0]=4 1224 B9R1.33 COCc1sccc1Cl 34a_100000722387_200000210301 [0,1,0,1,0,0|2,0,0]=4 1225 B9R1.33 COCc1sccc1Cl 7a_100000722387_200000210301 [0,1,0,1,0,0|2,0,0]=4 1226 B9R1.33 CSCc1ccsc1Br 62a_100009814289_200000210301 [0,1,0,1,0,0|2,0,0]=4 1227 B9R1.33 CSCc1ccsc1Br 62a_200000210301_100009814289 [0,1,0,1,0,0|2,0,0]=4 1228 B9R1.33 CSCc1ccsc1Cl 62a_100010167017_200000210301 [0,1,0,1,0,0|2,0,0]=4 1229 B9R1.33 CSCc1ccsc1Cl 62a_200000210301_100010167017 [0,1,0,1,0,0|2,0,0]=4 1230 B9R1.33 Cc1ccoc1CO[13CH3] 34a_100011273948_200025704644 [0,1,0,1,0,0|2,0,0]=4 1231 B9R1.33 Cc1ccoc1CO[13CH3] 7a_100011273948_200025704644 [0,1,0,1,0,0|2,0,0]=4 1232 B9R1.33 Cc1ccsc1CN[13CH3] 2230a_100000238519_200025704644 [0,1,0,1,0,0|2,0,0]=4 1233 B9R1.33 Cc1ccsc1CN[13CH3] 34a_100000238519_200025704644 [0,1,0,1,0,0|2,0,0]=4 1234 B9R1.33 Cc1ccsc1CO[13CH3] 34a_100000238368_200025704644 [0,1,0,1,0,0|2,0,0]=4 1235 B9R1.33 Cc1ccsc1CO[13CH3] 7a_100000238368_200025704644 [0,1,0,1,0,0|2,0,0]=4 1236 B9R1.33 Cc1occc1CO[13CH3] 34a_100011219433_200025704644 [0,1,0,1,0,0|2,0,0]=4 1237 B9R1.33 Cc1occc1CO[13CH3] 7a_100011219433_200025704644 [0,1,0,1,0,0|2,0,0]=4 1238 B9R1.33 Cn1cccc1CN[13CH3] 34a_100011219357_200025704644 [0,1,0,1,0,0|2,0,0]=4 1239 B9R1.33 [13CH3]NCc1ccsc1Br 2230a_100000727803_200025704644 [0,1,0,1,0,0|2,0,0]=4 1240 B9R1.33 [13CH3]NCc1ccsc1Br 34a_100000727803_200025704644 [0,1,0,1,0,0|2,0,0]=4 1241 B9R1.33 [13CH3]NCc1sccc1Cl 2230a_100011934584_200025704644 [0,1,0,1,0,0|2,0,0]=4 1242 B9R1.33 [13CH3]NCc1sccc1Cl 34a_100011934584_200025704644 [0,1,0,1,0,0|2,0,0]=4 1243 B9R1.33 [13CH3]OCC1=CCCC1=O 34a_100000087531_200025704644 [0,1,0,1,0,0|0,0,2]=4 1244 B9R1.33 [13CH3]OCc1ccsc1Br 34a_100009816922_200025704644 [0,1,0,1,0,0|2,0,0]=4 1245 B9R1.33 [13CH3]OCc1ccsc1Br 7a_100009816922_200025704644 [0,1,0,1,0,0|2,0,0]=4 1246 B9R1.33 [13CH3]OCc1cscc1Br 34a_100000724555_200025704644 [0,1,0,1,0,0|2,0,0]=4 1247 B9R1.33 [13CH3]OCc1sccc1Br 34a_100000702026_200025704644 [0,1,0,1,0,0|2,0,0]=4 1248 B9R1.33 [13CH3]OCc1sccc1Cl 34a_100000722387_200025704644 [0,1,0,1,0,0|2,0,0]=4 1249 B9R1.33 [13CH3]OCc1sccc1Cl 7a_100000722387_200025704644 [0,1,0,1,0,0|2,0,0]=4 1250 B9R1.33 [13CH3]SCc1ccsc1Br 62a_100009814289_200025704644 [0,1,0,1,0,0|2,0,0]=4 1251 B9R1.33 [13CH3]SCc1ccsc1Br 62a_200025704644_100009814289 [0,1,0,1,0,0|2,0,0]=4 1252 B9R1.33 [13CH3]SCc1ccsc1Cl 62a_100010167017_200025704644 [0,1,0,1,0,0|2,0,0]=4 1253 B9R1.33 [13CH3]SCc1ccsc1Cl 62a_200025704644_100010167017 [0,1,0,1,0,0|2,0,0]=4 1254 B9R1.69 Cc1cc(ccc1Br)O 271570a_203496583355_100009813585 [0,1,0,1,0,0|1,0,1]=4 1255 B9R1.69 Cc1cc(ccc1Cl)O 271570a_203496583355_100000049509 [0,1,0,1,0,0|1,0,1]=4 1256 B9R1.69 Cc1cc(ccc1F)O 271570a_203496583355_100011218330 [0,1,0,1,0,0|1,0,1]=4 1257 B9R1.69 Cc1cc(ccc1N)O 271570a_203496583355_100000211769 [0,1,0,1,0,0|1,0,1]=4 1258 B9R1.69 Cc1cc(ccc1O)Br 271570a_203496583355_100000701812 [0,1,0,1,0,0|0,0,2]=4 1259 B9R1.69 Cc1cc(ccc1O)Cl 271570a_203496583355_100011219607 [0,1,0,1,0,0|0,0,2]=4 1260 B9R1.69 Cc1cc(ccc1O)F 271570a_203496583355_100011205405 [0,1,0,1,0,0|0,0,2]=4 1261 B9R1.69 Cc1cc(ccc1O)N 271570a_203496583355_100000210723 [0,1,0,1,0,0|0,0,2]=4 1262 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000186361 [0,1,0,1,0,0|0,0,2]=4 1263 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000729255 [0,1,0,1,0,0|0,0,2]=4 1264 B9R1.69 Cc1ccc(c(c1)C)O 271570a_203496583355_100011217332 [0,1,0,1,0,0|0,0,2]=4 1265 B9R1.69 Cc1ccc(c(c1)O)C 271570a_203496583355_100000210833 [0,1,0,1,0,0|0,0,2]=4 1266 B9R1.69 Cc1ccc(cc1Br)O 271570a_203496583355_100011847877 [0,1,0,1,0,0|1,0,1]=4 1267 B9R1.69 Cc1ccc(cc1C)O 271570a_203496583355_100011215607 [0,1,0,1,0,0|1,0,1]=4 1268 B9R1.69 Cc1ccc(cc1Cl)O 271570a_203496583355_100011216363 [0,1,0,1,0,0|1,0,1]=4 1269 B9R1.69 Cc1ccc(cc1F)O 271570a_203496583355_100000720648 [0,1,0,1,0,0|1,0,1]=4 1270 B9R1.69 Cc1ccc(cc1N)O 271570a_203496583355_100000761890 [0,1,0,1,0,0|1,0,1]=4 1271 B9R1.69 Cc1ccc(cc1O)Br 271570a_203496583355_100011344865 [0,1,0,1,0,0|0,0,2]=4 1272 B9R1.69 Cc1ccc(cc1O)Cl 271570a_203496583355_100011263213 [0,1,0,1,0,0|0,0,2]=4 1273 B9R1.69 Cc1ccc(cc1O)F 271570a_203496583355_100011218078 [0,1,0,1,0,0|0,0,2]=4 1274 B9R1.69 Cc1ccc(cc1O)N 271570a_203496583355_100000736455 [0,1,0,1,0,0|0,0,2]=4 1275 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100000766334 [0,1,0,1,0,0|0,0,2]=4 1276 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100011380479 [0,1,0,1,0,0|0,0,2]=4 1277 B9R1.69 Cn1cc(ccc1=O)O 271570a_203496583355_100011245003 [0,1,0,1,0,0|1,0,0]=3 1278 B9R1.69 Cn1cc(cnc1=O)O 271570a_203496583355_100009819886 [0,1,0,1,0,0|2,0,0]=4 1279 B9R1.69 Cn1cc(ncc1=O)O 271570a_203496583355_100009843036 [0,1,0,1,0,0|2,0,0]=4 1280 B9R1.69 Cn1ccc(cc1=O)O 271570a_203496583355_100009820031 [0,1,0,1,0,0|1,0,0]=3 1281 B9R1.69 Cn1cnc(cc1=O)O 271570a_203496583355_100012179353 [0,1,0,1,0,0|2,0,0]=4 1282 B9R1.69 Cn1nc(ccc1=O)O 271570a_203496583355_100009820752 [0,1,0,1,0,0|2,0,0]=4 1283 B9R1.69 Cn1ncc(cc1=O)O 271570a_203496583355_200010986246 [0,1,0,1,0,0|2,0,0]=4 1284 B9R1.14 C=Cc1ccnn1CC 271570a_100011290941_100000728327 [0,1,0,1,0,0|2,0,0]=4 1285 B9R1.14 C=Cc1ccoc1C=O 271570a_100011290941_100000756499 [0,1,0,1,0,0|0,0,2]=4 1286 B9R1.14 C=Cc1ccsc1C=O 271570a_100011290941_100000766043 [0,1,0,1,0,0|0,0,2]=4 1287 B9R1.14 C=Cc1ccsc1CO 271570a_100011290941_100000702026 [0,1,0,1,0,0|2,0,0]=4 1288 B9R1.14 C=Cc1ccsc1SC 271570a_100011290941_200010341309 [0,1,0,1,0,0|2,0,0]=4 1289 B9R1.14 C=Cc1cscc1C=O 271570a_100011290941_100000685484 [0,1,0,1,0,0|0,0,2]=4 1290 B9R1.14 C=Cc1cscc1CC 271570a_100011290941_100011068457 [0,1,0,1,0,0|1,0,0]=3 1291 B9R1.14 C=Cc1cscc1CO 271570a_100011290941_100000724555 [0,1,0,1,0,0|2,0,0]=4 1292 B9R1.14 C=Cc1nccn1CC 271570a_100011290941_100011617267 [0,1,0,1,0,0|2,0,0]=4 1293 B9R1.14 C=Cc1sccc1C=O 271570a_100011290941_100009816921 [0,1,0,1,0,0|0,0,2]=4 1294 B9R1.14 C=Cc1sccc1CC 271570a_100011290941_200009875468 [0,1,0,1,0,0|1,0,0]=3 1295 B9R1.14 C=Cc1sccc1CN 271570a_100011290941_100000727803 [0,1,0,1,0,0|2,0,0]=4 1296 B9R1.14 C=Cc1sccc1CO 271570a_100011290941_100009816922 [0,1,0,1,0,0|2,0,0]=4 1297 B9R1.14 CCc1ccsc1SC 62a_200000210301_200009875468 [0,1,0,1,0,0|1,1,0]=4 1298 B9R1.14 CCc1ccsc1SC 62a_200009875468_200000210301 [0,1,0,1,0,0|1,1,0]=4 1299 B9R1.14 CCc1ccsc1S[13CH3] 62a_200009875468_200025704644 [0,1,0,1,0,0|1,1,0]=4 1300 B9R1.14 CCc1ccsc1S[13CH3] 62a_200025704644_200009875468 [0,1,0,1,0,0|1,1,0]=4 1301 B9R1.14 CCc1cscc1SC 62a_100011068457_200000210301 [0,1,0,1,0,0|1,1,0]=4 1302 B9R1.14 CCc1cscc1SC 62a_200000210301_100011068457 [0,1,0,1,0,0|1,1,0]=4 1303 B9R1.14 CCc1cscc1S[13CH3] 62a_100011068457_200025704644 [0,1,0,1,0,0|1,1,0]=4 1304 B9R1.14 CCc1cscc1S[13CH3] 62a_200025704644_100011068457 [0,1,0,1,0,0|1,1,0]=4 1305 B9R1.14 CSc1[nH]cnc1C=O 62a_100015192532_200000210301 [0,1,0,1,0,0|2,0,0]=4 1306 B9R1.14 CSc1[nH]cnc1C=O 62a_200000210301_100015192532 [0,1,0,1,0,0|2,0,0]=4 1307 B9R1.14 CSc1ccoc1C=O 62a_100000756499_200000210301 [0,1,0,1,0,0|1,0,0]=3 1308 B9R1.14 CSc1ccoc1C=O 62a_200000210301_100000756499 [0,1,0,1,0,0|1,0,0]=3 1309 B9R1.14 CSc1ccsc1C=O 62a_100000766043_200000210301 [0,1,0,1,0,0|1,0,0]=3 1310 B9R1.14 CSc1ccsc1C=O 62a_200000210301_100000766043 [0,1,0,1,0,0|1,0,0]=3 1311 B9R1.14 CSc1cn[nH]c1C=O 62a_100000732679_200000210301 [0,1,0,1,0,0|2,0,0]=4 1312 B9R1.14 CSc1cn[nH]c1C=O 62a_200000210301_100000732679 [0,1,0,1,0,0|2,0,0]=4 1313 B9R1.14 CSc1cscc1C=O 62a_100000685484_200000210301 [0,1,0,1,0,0|1,0,0]=3 1314 B9R1.14 CSc1cscc1C=O 62a_200000210301_100000685484 [0,1,0,1,0,0|1,0,0]=3 1315 B9R1.14 CSc1sccc1C=O 62a_100009816921_200000210301 [0,1,0,1,0,0|1,0,0]=3 1316 B9R1.14 CSc1sccc1C=O 62a_200000210301_100009816921 [0,1,0,1,0,0|1,0,0]=3 1317 B9R1.14 [13CH3]Sc1[nH]cnc1C=O 62a_100015192532_200025704644 [0,1,0,1,0,0|2,0,0]=4 1318 B9R1.14 [13CH3]Sc1[nH]cnc1C=O 62a_200025704644_100015192532 [0,1,0,1,0,0|2,0,0]=4 1319 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_100000756499_200025704644 [0,1,0,1,0,0|1,0,0]=3 1320 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_200025704644_100000756499 [0,1,0,1,0,0|1,0,0]=3 1321 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_100000766043_200025704644 [0,1,0,1,0,0|1,0,0]=3 1322 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_200025704644_100000766043 [0,1,0,1,0,0|1,0,0]=3 1323 B9R1.14 [13CH3]Sc1cn[nH]c1C=O 62a_100000732679_200025704644 [0,1,0,1,0,0|2,0,0]=4 1324 B9R1.14 [13CH3]Sc1cn[nH]c1C=O 62a_200025704644_100000732679 [0,1,0,1,0,0|2,0,0]=4 1325 B9R1.14 [13CH3]Sc1cscc1C=O 62a_100000685484_200025704644 [0,1,0,1,0,0|1,0,0]=3 1326 B9R1.14 [13CH3]Sc1cscc1C=O 62a_200025704644_100000685484 [0,1,0,1,0,0|1,0,0]=3 1327 B9R1.14 [13CH3]Sc1sccc1C=O 62a_100009816921_200025704644 [0,1,0,1,0,0|1,0,0]=3 1328 B9R1.14 [13CH3]Sc1sccc1C=O 62a_200025704644_100009816921 [0,1,0,1,0,0|1,0,0]=3 1329 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [0,1,0,1,0,0|1,0,0]=3 1330 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [0,1,0,1,0,0|1,0,0]=3 1331 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [0,1,0,1,0,0|2,0,0]=4 1332 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [0,1,0,1,0,0|2,0,0]=4 1333 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [0,1,0,1,0,0|2,0,0]=4 1334 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [0,1,0,1,0,0|2,0,0]=4 1335 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [0,1,0,1,0,0|2,0,0]=4 1336 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [0,1,0,1,0,0|2,0,0]=4 1337 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [0,1,0,1,0,0|2,0,0]=4 1338 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [0,1,0,1,0,0|2,0,0]=4 1339 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [0,1,0,1,0,0|2,0,0]=4 1340 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [0,1,0,1,0,0|2,0,0]=4 1341 B9R1.1 CNc1ccc(cn1)Br 27a_100102657272_100000686858 [0,1,0,1,0,0|2,0,0]=4 1342 B9R1.1 CNc1ccc(cn1)O 271570a_203496583355_100000741341 [0,1,0,1,0,0|2,0,0]=4 1343 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [0,1,0,1,0,0|2,0,0]=4 1344 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [0,1,0,1,0,0|2,0,0]=4 1345 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [0,1,0,1,0,0|2,0,0]=4 1346 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [0,1,0,1,0,0|2,0,0]=4 1347 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [0,1,0,1,0,0|2,0,0]=4 1348 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [0,1,0,1,0,0|2,0,0]=4 1349 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [0,1,0,1,0,0|2,0,0]=4 1350 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [0,1,0,1,0,0|2,0,0]=4 1351 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [0,1,0,1,0,0|2,0,0]=4 1352 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [0,1,0,1,0,0|2,0,0]=4 1353 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [0,1,0,1,0,0|2,0,0]=4 1354 B9R1.1 COc1ccc(cn1)C 34a_100000759353_200000210301 [0,1,0,1,0,0|2,0,0]=4 1355 B9R1.1 COc1ccc(cn1)Cl 34a_100011215309_200000210301 [0,1,0,1,0,0|2,0,0]=4 1356 B9R1.1 COc1ccc(cn1)F 34a_100000742473_200000210301 [0,1,0,1,0,0|2,0,0]=4 1357 B9R1.1 COc1ccc(cn1)N 34a_100000729260_200000210301 [0,1,0,1,0,0|2,0,0]=4 1358 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [0,1,0,1,0,0|2,0,0]=4 1359 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [0,1,0,1,0,0|2,0,0]=4 1360 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [0,1,0,1,0,0|2,0,0]=4 1361 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [0,1,0,1,0,0|2,0,0]=4 1362 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [0,1,0,1,0,0|2,0,0]=4 1363 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [0,1,0,1,0,0|2,0,0]=4 1364 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [0,1,0,1,0,0|2,0,0]=4 1365 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [0,1,0,1,0,0|2,0,0]=4 1366 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [0,1,0,1,0,0|2,0,0]=4 1367 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [0,1,0,1,0,0|2,0,0]=4 1368 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [0,1,0,1,0,0|2,0,0]=4 1369 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [0,1,0,1,0,0|2,0,0]=4 1370 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [0,1,0,1,0,0|2,0,0]=4 1371 B9R1.1 CSc1ccc(cn1)Br 62a_100000686858_200000210301 [0,1,0,1,0,0|2,0,0]=4 1372 B9R1.1 CSc1ccc(cn1)Br 62a_200000210301_100000686858 [0,1,0,1,0,0|2,0,0]=4 1373 B9R1.1 CSc1ccc(cn1)C 62a_100011192072_200000210301 [0,1,0,1,0,0|2,0,0]=4 1374 B9R1.1 CSc1ccc(cn1)C 62a_200000210301_100000754016 [0,1,0,1,0,0|2,0,0]=4 1375 B9R1.1 CSc1ccc(cn1)Cl 62a_100011356976_200000210301 [0,1,0,1,0,0|2,0,0]=4 1376 B9R1.1 CSc1ccc(cn1)Cl 62a_200000210301_100011356976 [0,1,0,1,0,0|2,0,0]=4 1377 B9R1.1 CSc1ccc(cn1)F 62a_100000744514_200000210301 [0,1,0,1,0,0|2,0,0]=4 1378 B9R1.1 CSc1ccc(cn1)F 62a_200000210301_100000744514 [0,1,0,1,0,0|2,0,0]=4 1379 B9R1.1 CSc1ccc(cn1)N 62a_100000737798_200000210301 [0,1,0,1,0,0|2,0,0]=4 1380 B9R1.1 CSc1ccc(cn1)N 62a_200000210301_100000737798 [0,1,0,1,0,0|2,0,0]=4 1381 B9R1.1 CSc1ccc(cn1)O 271570a_203496583355_100011408404 [0,1,0,1,0,0|2,0,0]=4 1382 B9R1.1 CSc1ccc(cn1)O 62a_100000685995_200000210301 [0,1,0,1,0,0|2,0,0]=4 1383 B9R1.1 CSc1ccc(cn1)O 62a_200000210301_100000744096 [0,1,0,1,0,0|2,0,0]=4 1384 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [0,1,0,1,0,0|2,0,0]=4 1385 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [0,1,0,1,0,0|2,0,0]=4 1386 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [0,1,0,1,0,0|2,0,0]=4 1387 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [0,1,0,1,0,0|2,0,0]=4 1388 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [0,1,0,1,0,0|2,0,0]=4 1389 B9R1.1 Cc1ccc(nc1)O[13CH3] 34a_100000759353_200025704644 [0,1,0,1,0,0|2,0,0]=4 1390 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_100011192072_200025704644 [0,1,0,1,0,0|2,0,0]=4 1391 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000754016 [0,1,0,1,0,0|2,0,0]=4 1392 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [0,1,0,1,0,0|2,0,0]=4 1393 B9R1.1 NCc1ccc(cn1)O 271570a_203496583355_100015188789 [0,1,0,1,0,0|2,0,0]=4 1394 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [0,1,0,1,0,0|0,0,2]=4 1395 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [0,1,0,1,0,0|1,0,1]=4 1396 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [0,1,0,1,0,0|1,0,1]=4 1397 B9R1.1 O=Cc1ccc(nn1)O 271570a_203496583355_100000044651 [0,1,0,1,0,0|2,0,0]=4 1398 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [0,1,0,1,0,0|2,0,0]=4 1399 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [0,1,0,1,0,0|2,0,0]=4 1400 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [0,1,0,1,0,0|2,0,0]=4 1401 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [0,1,0,1,0,0|2,0,0]=4 1402 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [0,1,0,1,0,0|2,0,0]=4 1403 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [0,1,0,1,0,0|2,0,0]=4 1404 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [0,1,0,1,0,0|2,0,0]=4 1405 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [0,1,0,1,0,0|2,0,0]=4 1406 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [0,1,0,1,0,0|2,0,0]=4 1407 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [0,1,0,1,0,0|2,0,0]=4 1408 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [0,1,0,1,0,0|2,0,0]=4 1409 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [0,1,0,1,0,0|2,0,0]=4 1410 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [0,1,0,1,0,0|2,0,0]=4 1411 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [0,1,0,1,0,0|2,0,0]=4 1412 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [0,1,0,1,0,0|2,0,0]=4 1413 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [0,1,0,1,0,0|2,0,0]=4 1414 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [0,1,0,1,0,0|2,0,0]=4 1415 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [0,1,0,1,0,0|2,0,0]=4 1416 B9R1.1 [13CH3]Oc1ccc(cn1)Cl 34a_100011215309_200025704644 [0,1,0,1,0,0|2,0,0]=4 1417 B9R1.1 [13CH3]Oc1ccc(cn1)F 34a_100000742473_200025704644 [0,1,0,1,0,0|2,0,0]=4 1418 B9R1.1 [13CH3]Oc1ccc(cn1)N 34a_100000729260_200025704644 [0,1,0,1,0,0|2,0,0]=4 1419 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [0,1,0,1,0,0|2,0,0]=4 1420 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [0,1,0,1,0,0|2,0,0]=4 1421 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [0,1,0,1,0,0|2,0,0]=4 1422 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [0,1,0,1,0,0|2,0,0]=4 1423 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [0,1,0,1,0,0|2,0,0]=4 1424 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [0,1,0,1,0,0|2,0,0]=4 1425 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [0,1,0,1,0,0|2,0,0]=4 1426 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [0,1,0,1,0,0|2,0,0]=4 1427 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [0,1,0,1,0,0|2,0,0]=4 1428 B9R1.1 [13CH3]Sc1ccc(cn1)Br 62a_100000686858_200025704644 [0,1,0,1,0,0|2,0,0]=4 1429 B9R1.1 [13CH3]Sc1ccc(cn1)Br 62a_200025704644_100000686858 [0,1,0,1,0,0|2,0,0]=4 1430 B9R1.1 [13CH3]Sc1ccc(cn1)Cl 62a_100011356976_200025704644 [0,1,0,1,0,0|2,0,0]=4 1431 B9R1.1 [13CH3]Sc1ccc(cn1)Cl 62a_200025704644_100011356976 [0,1,0,1,0,0|2,0,0]=4 1432 B9R1.1 [13CH3]Sc1ccc(cn1)F 62a_100000744514_200025704644 [0,1,0,1,0,0|2,0,0]=4 1433 B9R1.1 [13CH3]Sc1ccc(cn1)F 62a_200025704644_100000744514 [0,1,0,1,0,0|2,0,0]=4 1434 B9R1.1 [13CH3]Sc1ccc(cn1)N 62a_100000737798_200025704644 [0,1,0,1,0,0|2,0,0]=4 1435 B9R1.1 [13CH3]Sc1ccc(cn1)N 62a_200025704644_100000737798 [0,1,0,1,0,0|2,0,0]=4 1436 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_100000685995_200025704644 [0,1,0,1,0,0|2,0,0]=4 1437 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_200025704644_100000744096 [0,1,0,1,0,0|2,0,0]=4 1438 B9R1.3 Cc1c(cccc1Br)O 271570a_203496583355_100012353703 [0,1,0,1,0,0|0,0,2]=4 1439 B9R1.3 Cc1c(cccc1Cl)O 271570a_203496583355_100000726075 [0,1,0,1,0,0|0,0,2]=4 1440 B9R1.3 Cc1c(cccc1F)O 271570a_203496583355_100011216893 [0,1,0,1,0,0|0,0,2]=4 1441 B9R1.3 Cc1c(cccc1O)N 271570a_203496583355_100000761887 [0,1,0,1,0,0|0,0,2]=4 1442 B9R1.3 Cc1c(cccc1O)O 271570a_203496583355_100012002258 [0,1,0,1,0,0|0,0,2]=4 1443 B9R1.3 Cc1cccc(c1C)O 271570a_203496583355_100011214922 [0,1,0,1,0,0|0,0,2]=4 1444 B9R1.3 Cc1cccc(c1Cl)O 271570a_203496583355_200012352035 [0,1,0,1,0,0|1,0,1]=4 1445 B9R1.3 Cc1cccc(c1F)O 271570a_203496583355_100000717567 [0,1,0,1,0,0|1,0,1]=4 1446 B9R1.3 Cc1cccc(c1N)O 271570a_203496583355_100011834072 [0,1,0,1,0,0|1,0,1]=4 1447 B9R1.3 Cc1cccc(c1O)C 271570a_203496583355_100000033847 [0,1,0,1,0,0|0,0,2]=4 1448 B9R1.3 Cc1cccc(c1O)Cl 271570a_203496583355_100000043165 [0,1,0,1,0,0|0,0,2]=4 1449 B9R1.3 Cc1cccc(c1O)F 271570a_203496583355_100012349962 [0,1,0,1,0,0|0,0,2]=4 1450 B9R1.3 Cc1cccc(c1O)N 271570a_203496583355_100000684715 [0,1,0,1,0,0|0,0,2]=4 1451 B9R1.3 Cc1cccc(c1O)O 271570a_203496583355_100000686692 [0,1,0,1,0,0|0,0,2]=4 1452 B9R1.3 Cc1cccc(c1O)O 271570a_203496583355_100009817157 [0,1,0,1,0,0|0,0,2]=4 1453 B9R1.3 Cn1c(cccc1=O)O 271570a_203496583355_100000726605 [0,1,0,1,0,0|1,0,0]=3 1454 B9R1.3 Cn1cccc(c1=O)O 271570a_203496583355_100000687173 [0,1,0,1,0,0|1,0,0]=3 1455 B9R1.21 C=Cc1ccc(o1)C=O 271570a_100011290941_100000185145 [0,1,0,1,0,0|0,0,2]=4 1456 B9R1.21 C=Cc1ccc(o1)CN 271570a_100011290941_100000708654 [0,1,0,1,0,0|2,0,0]=4 1457 B9R1.21 C=Cc1ccc(o1)CO 271570a_100011290941_100000246276 [0,1,0,1,0,0|2,0,0]=4 1458 B9R1.21 C=Cc1ccc(s1)C=O 271570a_100011290941_100000179771 [0,1,0,1,0,0|0,0,2]=4 1459 B9R1.21 C=Cc1ccc(s1)CC 271570a_100011290941_100009844052 [0,1,0,1,0,0|1,0,0]=3 1460 B9R1.21 C=Cc1ccc(s1)CN 271570a_100011290941_100000737305 [0,1,0,1,0,0|2,0,0]=4 1461 B9R1.21 C=Cc1ccc(s1)CO 271570a_100011290941_100000246291 [0,1,0,1,0,0|2,0,0]=4 1462 B9R1.21 C=Cc1ccn(n1)CC 271570a_100011290941_100012350556 [0,1,0,1,0,0|2,0,0]=4 1463 B9R1.21 C=Cc1csc(c1)CC 271570a_100011290941_100009846239 [0,1,0,1,0,0|2,0,0]=4 1464 B9R1.21 CCc1ccc(s1)SC 62a_100009844052_200000210301 [0,1,0,1,0,0|2,0,0]=4 1465 B9R1.21 CCc1ccc(s1)SC 62a_200000210301_100009844052 [0,1,0,1,0,0|2,0,0]=4 1466 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_100009844052_200025704644 [0,1,0,1,0,0|2,0,0]=4 1467 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_200025704644_100009844052 [0,1,0,1,0,0|2,0,0]=4 1468 B9R1.21 CNc1ncc(s1)C=O 27a_100102657272_100009814069 [0,1,0,1,0,0|2,0,0]=4 1469 B9R1.21 CSc1c[nH]c(c1)C=O 62a_100000720742_200000210301 [0,1,0,1,0,0|2,0,0]=4 1470 B9R1.21 CSc1c[nH]c(c1)C=O 62a_200000210301_100000720742 [0,1,0,1,0,0|2,0,0]=4 1471 B9R1.21 CSc1cc(c[nH]1)C=O 62a_100009882863_200000210301 [0,1,0,1,0,0|2,0,0]=4 1472 B9R1.21 CSc1cc(c[nH]1)C=O 62a_200000210301_100009882863 [0,1,0,1,0,0|2,0,0]=4 1473 B9R1.21 CSc1cc(cs1)C=O 62a_100000737087_200000210301 [0,1,0,1,0,0|2,0,0]=4 1474 B9R1.21 CSc1cc(cs1)C=O 62a_200000210301_100000737087 [0,1,0,1,0,0|2,0,0]=4 1475 B9R1.21 CSc1ccc([nH]1)C=O 62a_200000210301_100009875417 [0,1,0,1,0,0|1,0,0]=3 1476 B9R1.21 CSc1ccc(o1)C=O 62a_200000210301_100000186757 [0,1,0,1,0,0|1,0,0]=3 1477 B9R1.21 CSc1ccc(s1)C=O 62a_100000179771_200000210301 [0,1,0,1,0,0|1,0,0]=3 1478 B9R1.21 CSc1ccc(s1)C=O 62a_200000210301_100000179771 [0,1,0,1,0,0|1,0,0]=3 1479 B9R1.21 CSc1cnc(s1)C=O 62a_100000699580_200000210301 [0,1,0,1,0,0|2,0,0]=4 1480 B9R1.21 CSc1cnc(s1)C=O 62a_200000210301_100000699580 [0,1,0,1,0,0|2,0,0]=4 1481 B9R1.21 CSc1coc(c1)C=O 62a_100000747035_200000210301 [0,1,0,1,0,0|2,0,0]=4 1482 B9R1.21 CSc1coc(c1)C=O 62a_200000210301_100000747035 [0,1,0,1,0,0|2,0,0]=4 1483 B9R1.21 CSc1csc(c1)C=O 62a_100000211722_200000210301 [0,1,0,1,0,0|2,0,0]=4 1484 B9R1.21 CSc1csc(c1)C=O 62a_200000210301_100000211722 [0,1,0,1,0,0|2,0,0]=4 1485 B9R1.21 CSc1csc(n1)C=O 62a_100009816814_200000210301 [0,1,0,1,0,0|2,0,0]=4 1486 B9R1.21 CSc1csc(n1)C=O 62a_200000210301_100009816814 [0,1,0,1,0,0|2,0,0]=4 1487 B9R1.21 CSc1nc(cs1)C=O 62a_100009816748_200000210301 [0,1,0,1,0,0|2,0,0]=4 1488 B9R1.21 CSc1nc(cs1)C=O 62a_200000210301_100009816748 [0,1,0,1,0,0|2,0,0]=4 1489 B9R1.21 CSc1ncc(s1)C=O 62a_100009814069_200000210301 [0,1,0,1,0,0|2,0,0]=4 1490 B9R1.21 CSc1ncc(s1)C=O 62a_200000210301_100009814069 [0,1,0,1,0,0|2,0,0]=4 1491 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_100000720742_200025704644 [0,1,0,1,0,0|2,0,0]=4 1492 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_200025704644_100000720742 [0,1,0,1,0,0|2,0,0]=4 1493 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_100009882863_200025704644 [0,1,0,1,0,0|2,0,0]=4 1494 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_200025704644_100009882863 [0,1,0,1,0,0|2,0,0]=4 1495 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_100000737087_200025704644 [0,1,0,1,0,0|2,0,0]=4 1496 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_200025704644_100000737087 [0,1,0,1,0,0|2,0,0]=4 1497 B9R1.21 [13CH3]Sc1ccc([nH]1)C=O 62a_200025704644_100009875417 [0,1,0,1,0,0|1,0,0]=3 1498 B9R1.21 [13CH3]Sc1ccc(o1)C=O 62a_200025704644_100000186757 [0,1,0,1,0,0|1,0,0]=3 1499 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_100000179771_200025704644 [0,1,0,1,0,0|1,0,0]=3 1500 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_200025704644_100000179771 [0,1,0,1,0,0|1,0,0]=3 1501 B9R1.21 [13CH3]Sc1cnc(s1)C=O 62a_100000699580_200025704644 [0,1,0,1,0,0|2,0,0]=4 1502 B9R1.21 [13CH3]Sc1cnc(s1)C=O 62a_200025704644_100000699580 [0,1,0,1,0,0|2,0,0]=4 1503 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_100000747035_200025704644 [0,1,0,1,0,0|2,0,0]=4 1504 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_200025704644_100000747035 [0,1,0,1,0,0|2,0,0]=4 1505 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_100000211722_200025704644 [0,1,0,1,0,0|2,0,0]=4 1506 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_200025704644_100000211722 [0,1,0,1,0,0|2,0,0]=4 1507 B9R1.21 [13CH3]Sc1csc(n1)C=O 62a_100009816814_200025704644 [0,1,0,1,0,0|2,0,0]=4 1508 B9R1.21 [13CH3]Sc1csc(n1)C=O 62a_200025704644_100009816814 [0,1,0,1,0,0|2,0,0]=4 1509 B9R1.21 [13CH3]Sc1nc(cs1)C=O 62a_100009816748_200025704644 [0,1,0,1,0,0|2,0,0]=4 1510 B9R1.21 [13CH3]Sc1nc(cs1)C=O 62a_200025704644_100009816748 [0,1,0,1,0,0|2,0,0]=4 1511 B9R1.21 [13CH3]Sc1ncc(s1)C=O 62a_100009814069_200025704644 [0,1,0,1,0,0|2,0,0]=4 1512 B9R1.21 [13CH3]Sc1ncc(s1)C=O 62a_200025704644_100009814069 [0,1,0,1,0,0|2,0,0]=4 1513 B9R1.132 Cn1c(cnc1C=O)O 271570a_203496583355_200009816901 [0,1,0,1,0,0|2,0,0]=4 1514 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [0,1,0,1,0,0|1,0,1]=4 1515 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [0,1,0,1,0,0|1,0,1]=4 1516 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,1,0,1,0,0|0,0,2]=4 1517 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,1,0,1,0,0|1,0,1]=4 1518 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,1,0,1,0,0|0,0,2]=4 1519 B9R1.6 CC(=O)N1CC=CCC1 11a_100000698166_100015343762 [0,1,0,1,0,0|1,0,1]=4 1520 B9R1.6 CC(=O)N1CC=CCC1 1626a_100000698166_100015343762 [0,1,0,1,0,0|1,0,1]=4 1521 B9R1.6 CC(=O)N1CC=CCC1 240690a_100000698166_100015343762 [0,1,0,1,0,0|1,0,1]=4 1522 B9R1.6 CC(=O)N1CC=CCC1 527a_100000698166_100103153847 [0,1,0,1,0,0|1,0,1]=4 1523 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [0,1,0,1,0,0|0,0,2]=4 1524 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,1,0,1,0,0|0,0,2]=4 1525 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [0,1,0,1,0,0|2,0,0]=4 1526 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [0,1,0,1,0,0|2,0,0]=4 1527 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [0,1,0,1,0,0|2,0,0]=4 1528 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [0,1,0,1,0,0|2,0,0]=4 1529 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [0,1,0,1,0,0|2,0,0]=4 1530 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [0,1,0,1,0,0|2,0,0]=4 1531 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,1,0,1,0,0|0,0,2]=4 1532 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,1,0,1,0,0|1,0,1]=4 1533 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [0,1,0,1,0,0|0,0,2]=4 1534 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,1,0,1,0,0|0,0,2]=4 1535 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [0,1,0,1,0,0|0,0,2]=4 1536 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [0,1,0,1,0,0|0,1,1]=4 1537 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [0,1,0,1,0,0|0,0,2]=4 1538 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,1,0,1,0,0|0,0,2]=4 1539 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [0,1,0,1,0,0|0,0,2]=4 1540 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [0,1,0,1,0,0|1,0,1]=4 1541 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [0,1,0,1,0,0|1,0,1]=4 1542 B9R1.13 CC(C)Sc1cccs1 62a_100000210206_100011215356 [0,1,0,1,0,0|1,1,0]=4 1543 B9R1.13 CC(C)Sc1cccs1 62a_100011215356_100000210206 [0,1,0,1,0,0|1,1,0]=4 1544 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [0,1,0,1,0,0|0,0,2]=4 1545 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,1,0,1,0,0|0,0,2]=4 1546 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [0,1,0,1,0,0|0,0,2]=4 1547 B9R2.2 c1coc(c1)C2CC2 271570a_100011220607_100009814098 [0,0,0,2,0,0|0,0,2]=4 1548 B9R2.2 c1csc(c1)C2CC2 271570a_100011220607_100011215356 [0,0,0,2,0,0|0,1,1]=4