0 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,0,0,0,0,0|1,0,3]=4 10 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.4 CNC/C=C/B(O)O 2230a_106832991635_100016262062 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.4 CNC/C=C/B(O)O 34a_100102657272_100016262062 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.4 CNC/C=C/B(O)O 7a_106832991635_100016262062 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.4 COC/C=C/B(O)O 34a_100138415774_100016262062 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.4 CSC/C=C/B(O)O 62a_100016262062_200000210301 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.4 CSC/C=C/B(O)O 62a_200000210301_100016262062 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.4 [13CH3]SC/C=C/B(O)O 62a_100016262062_200025704644 [0,0,0,0,0,0|2,0,2]=4 25 B7R0.4 [13CH3]SC/C=C/B(O)O 62a_200025704644_100016262062 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,0,0,0,0,0|1,0,0]=2 29 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,0,0,0,0|1,0,2]=4 32 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,0,0,0,0|1,0,1]=3 36 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,0,0,0,0|1,0,1]=3 38 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,0,0,0,0|1,0,1]=3 41 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,0,0,0,0|1,0,2]=4 42 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,0,0,0,0,0|2,0,1]=4 46 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.5 C=C(F)CC(=O)C=CC 1458a_100000210699_100009893438 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.5 CC=CC(=O)CC(=O)N 1458a_100000210699_100000187820 [0,1,0,0,0,0|1,0,1]=3 49 B8R0.5 CC=CC(=O)CC(=O)[O-] 1458a_100000210699_100020667443 [0,1,0,0,0,0|0,0,2]=3 50 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [0,1,0,0,0,0|1,0,2]=4 51 B8R0.5 CC=CC(=O)C[N+](=O)[O-] 1458a_100000210699_100000761209 [0,1,0,0,0,0|1,0,2]=4 52 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,1,0,0,0,0|1,0,2]=4 53 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,1,0,0,0,0|1,0,2]=4 54 B8R0.5 NC(=O)CC(=O)C=CBr 1458a_100016273825_100000187820 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.5 NC(=O)CC(=O)C=CCl 1458a_200016279998_100000187820 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.5 NC(=O)CC(=O)C=CI 1458a_100016256311_100000187820 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.5 O=C([O-])CC(=O)C=CBr 1458a_100016273825_100020667443 [0,1,0,0,0,0|1,0,2]=4 58 B8R0.5 O=C([O-])CC(=O)C=CCl 1458a_200016279998_100020667443 [0,1,0,0,0,0|1,0,2]=4 59 B8R0.5 O=C([O-])CC(=O)C=CI 1458a_100016256311_100020667443 [0,1,0,0,0,0|1,0,2]=4 60 B8R0.6 C#CC(=O)C/C=C\CC 1458a_100000211873_100103147603 [0,1,0,0,0,0|1,0,2]=4 61 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [0,1,0,0,0,0|1,0,0]=2 62 B8R0.6 C/C=C/C=CC(=O)CF 1458a_100000185730_100015361967 [0,1,0,0,0,0|1,0,0]=2 63 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [0,1,0,0,0,0|1,0,0]=2 64 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [0,1,0,0,0,0|1,0,0]=2 65 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [0,1,0,0,0,0|1,0,0]=2 66 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [0,1,0,0,0,0|1,0,2]=4 67 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,1,0,0,0,0|1,0,2]=4 68 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [0,1,0,0,0,0|1,0,2]=4 69 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,1,0,0,0,0|1,0,2]=4 70 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,1,0,0,0,0|1,0,2]=4 71 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,1,0,0,0,0|1,0,2]=4 72 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,1,0,0,0,0|1,0,2]=4 73 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,1,0,0,0,0|1,0,2]=4 74 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,1,0,0,0,0|0,0,2]=3 75 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,1,0,0,0,0|1,0,2]=4 77 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,1,0,0,0,0|1,0,2]=4 78 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,1,0,0,0,0|1,0,2]=4 79 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,1,0,0,0,0|1,0,2]=4 80 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,1,0,0,0,0|1,0,2]=4 81 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.6 CCOC=CC(=O)CF 1458a_100016266692_100015361967 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.6 CNC(=O)C=CCOC 11a_106832991635_100016285016 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.6 CNC(=O)C=CCOC 1626a_100102657272_100016285016 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.6 CNC(=O)C=CCOC 240690a_100102657272_100016285016 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [0,1,0,0,0,0|1,0,1]=3 91 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [0,1,0,0,0,0|1,0,1]=3 92 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [0,1,0,0,0,0|1,0,1]=3 93 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [0,1,0,0,0,0|1,0,1]=3 94 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [0,1,0,0,0,0|1,0,1]=3 95 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [0,1,0,0,0,0|1,0,1]=3 96 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [0,1,0,0,0,0|1,0,1]=3 97 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [0,1,0,0,0,0|1,0,1]=3 98 B8R0.6 COCC=CC(=O)CF 1458a_100016285016_100015361967 [0,1,0,0,0,0|2,0,1]=4 99 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [0,1,0,0,0,0|0,0,2]=3 100 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [0,1,0,0,0,0|1,0,2]=4 101 B8R0.7 C/C=C/COCC(=O)N 34a_100016270725_100000187820 [0,1,0,0,0,0|1,0,2]=4 102 B8R0.7 C/C=C/COCC(=O)[O-] 34a_100016270725_100020667443 [0,1,0,0,0,0|0,0,3]=4 103 B8R0.7 C/C=C/CSCC(=O)N 62a_100000747473_100102629194 [0,1,0,0,0,0|1,0,2]=4 104 B8R0.7 C/C=C/CSCC(=O)N 62a_100102629194_100000747473 [0,1,0,0,0,0|1,0,2]=4 105 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100020667443_100102629194 [0,1,0,0,0,0|0,0,3]=4 106 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100102629194_100020667443 [0,1,0,0,0,0|0,0,3]=4 107 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,1,0,0,0,0|1,0,2]=4 108 B8R0.7 CC=CCNCC(=O)N 2230a_100000711301_100000070051 [0,1,0,0,0,0|1,0,2]=4 109 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [0,1,0,0,0,0|1,0,2]=4 110 B8R0.7 CC=CCSCC(=O)N 62a_100000070051_100000747473 [0,1,0,0,0,0|1,0,2]=4 111 B8R0.7 CC=CCSCC(=O)N 62a_100000747473_100000070051 [0,1,0,0,0,0|1,0,2]=4 112 B8R0.7 CC=CCSCC(=O)[O-] 62a_100000070051_100020667443 [0,1,0,0,0,0|0,0,3]=4 113 B8R0.7 CC=CCSCC(=O)[O-] 62a_100020667443_100000070051 [0,1,0,0,0,0|0,0,3]=4 114 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,1,0,0,0,0|1,0,2]=4 115 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,1,0,0,0,0|1,0,2]=4 116 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,1,0,0,0,0|1,0,2]=4 117 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,1,0,0,0,0|1,0,2]=4 118 B8R0.8 C/C=C/CC(=O)C(O)O 1458a_100000233687_100102629194 [0,1,0,0,0,0|0,0,3]=4 119 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,1,0,0,0,0|1,0,2]=4 120 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,1,0,0,0,0|1,0,2]=4 121 B8R0.8 C=C(C)C(=O)C/C=C/C 1458a_100000185857_100102629194 [0,1,0,0,0,0|2,0,1]=4 122 B8R0.8 C=C(C)C(=O)CC=CC 1458a_100000185857_100000070051 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.8 CC=CCC(=O)C(O)O 1458a_100000233687_100000070051 [0,1,0,0,0,0|0,0,3]=4 124 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,1,0,0,0,0|1,0,2]=4 125 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,1,0,0,0,0|1,0,2]=4 126 B8R0.8 CC=NNC(=O)C(=O)N 4a_100000211141_200000210099 [0,1,0,0,0,0|3,0,0]=4 127 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,1,0,0,0,0|1,0,2]=4 128 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,1,0,0,0,0|1,0,2]=4 129 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,1,0,0,0,0|1,0,0]=2 130 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,1,0,0,0,0|1,0,0]=2 131 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [0,1,0,0,0,0|2,0,0]=3 132 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [0,1,0,0,0,0|2,0,0]=3 133 B8R0.28 C=C(C)C=NNC(=O)C 4a_100000189765_100000210575 [0,1,0,0,0,0|3,0,0]=4 134 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,1,0,0,0,0|1,0,2]=4 135 B8R0.28 CC(=O)C/C=C/B(O)O 1458a_100000070787_100016262062 [0,1,0,0,0,0|1,0,2]=4 136 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,1,0,0,0,0|1,0,2]=4 137 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [0,1,0,0,0,0|2,0,1]=4 138 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,1,0,0,0,0|1,0,2]=4 139 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [0,1,0,0,0,0|2,0,1]=4 140 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [0,1,0,0,0,0|2,0,1]=4 141 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [0,1,0,0,0,0|2,0,1]=4 142 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,1,0,0,0,0|1,0,2]=4 143 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [0,1,0,0,0,0|2,0,1]=4 144 B8R1.1 C=Cc1ccc(s1)Br 271570a_100011290941_100010197418 [0,0,0,1,0,0|1,1,1]=4 145 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [0,0,0,1,0,0|1,1,1]=4 146 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [0,0,0,1,0,0|2,0,1]=4 147 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [0,0,0,1,0,0|0,1,1]=3 148 B8R1.1 CCn1ccc(n1)O 271570a_203496583355_100012350556 [0,0,0,1,0,0|2,0,1]=4 149 B8R1.1 COc1nc(cs1)O 271570a_203496583355_100000727839 [0,0,0,1,0,0|3,0,0]=4 150 B8R1.1 COc1ncc(s1)O 271570a_203496583355_100000729428 [0,0,0,1,0,0|2,1,0]=4 151 B8R1.1 CSc1cc(cs1)O 271570a_203496583355_200010256830 [0,0,0,1,0,0|3,0,0]=4 152 B8R1.1 CSc1ccc(s1)Br 62a_100010197418_200000210301 [0,0,0,1,0,0|2,1,0]=4 153 B8R1.1 CSc1ccc(s1)Br 62a_200000210301_100010197418 [0,0,0,1,0,0|2,1,0]=4 154 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [0,0,0,1,0,0|2,1,0]=4 155 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [0,0,0,1,0,0|2,1,0]=4 156 B8R1.1 CSc1nc(cs1)O 271570a_203496583355_100000732701 [0,0,0,1,0,0|3,0,0]=4 157 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [0,0,0,1,0,0|2,1,0]=4 158 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [0,0,0,1,0,0|2,1,0]=4 159 B8R1.1 N#Cc1ccc(o1)O 271570a_203496583355_100000764468 [0,0,0,1,0,0|1,0,2]=4 160 B8R1.1 N#Cc1ccc(s1)O 271570a_203496583355_100000737243 [0,0,0,1,0,0|1,1,1]=4 161 B8R1.1 NCc1ccc(o1)O 271570a_203496583355_100000708654 [0,0,0,1,0,0|1,0,2]=4 162 B8R1.1 NCc1ccc(s1)O 271570a_203496583355_100000737305 [0,0,0,1,0,0|1,1,1]=4 163 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [0,0,0,1,0,0|3,0,0]=4 164 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [0,0,0,1,0,0|1,0,1]=3 167 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [0,0,0,1,0,0|1,1,0]=3 168 B8R1.1 O=Cc1cnc(s1)O 271570a_203496583355_100009814069 [0,0,0,1,0,0|2,1,0]=4 169 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [0,0,0,1,0,0|3,0,0]=4 170 B8R1.1 O=Cc1csc(n1)O 271570a_203496583355_100009816748 [0,0,0,1,0,0|3,0,0]=4 171 B8R1.1 O=Cc1nc(cs1)O 271570a_203496583355_100009816814 [0,0,0,1,0,0|3,0,0]=4 172 B8R1.1 O=Cc1ncc(s1)O 271570a_203496583355_100000699580 [0,0,0,1,0,0|2,1,0]=4 173 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [0,0,0,1,0,0|1,0,2]=4 174 B8R1.1 OCc1ccc(s1)O 271570a_203496583355_100000246291 [0,0,0,1,0,0|1,1,1]=4 175 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_100010197418_200025704644 [0,0,0,1,0,0|2,1,0]=4 176 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_200025704644_100010197418 [0,0,0,1,0,0|2,1,0]=4 177 B8R1.4 C[n+]1cccc(c1)O 271570a_203496583355_100009996589 [0,0,0,1,0,0|2,0,0]=3 178 B8R1.4 Cc1cc(ccn1)O 271570a_203496583355_100000758586 [0,0,0,1,0,0|2,0,0]=3 179 B8R1.4 Cc1cc(ncn1)O 271570a_203496583355_100000744208 [0,0,0,1,0,0|3,0,0]=4 180 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [0,0,0,1,0,0|1,0,0]=2 181 B8R1.4 Cc1cccc(n1)O 271570a_203496583355_100000742759 [0,0,0,1,0,0|1,0,0]=2 182 B8R1.4 Cc1ccnc(c1)O 271570a_203496583355_100000750283 [0,0,0,1,0,0|2,0,0]=3 183 B8R1.4 Cc1ccnc(n1)O 271570a_203496583355_100011243806 [0,0,0,1,0,0|2,0,0]=3 184 B8R1.4 Cc1cncc(c1)O 271570a_203496583355_100000760492 [0,0,0,1,0,0|2,0,0]=3 185 B8R1.4 Cc1cncc(n1)O 271570a_203496583355_100009842155 [0,0,0,1,0,0|2,0,0]=3 186 B8R1.4 Cc1cnnc(c1)O 271570a_203496583355_100000070100 [0,0,0,1,0,0|3,0,0]=4 187 B8R1.4 Cc1nccc(n1)O 271570a_203496583355_100000749937 [0,0,0,1,0,0|2,0,0]=3 188 B8R1.4 Nc1cc(ccn1)O 271570a_203496583355_100000744379 [0,0,0,1,0,0|3,0,0]=4 189 B8R1.4 Nc1cccc(c1)O 271570a_203496583355_100000210019 [0,0,0,1,0,0|2,0,0]=3 190 B8R1.4 Nc1cccc(n1)O 271570a_203496583355_100000740741 [0,0,0,1,0,0|2,0,0]=3 191 B8R1.4 Nc1ccnc(c1)O 271570a_203496583355_100009814236 [0,0,0,1,0,0|3,0,0]=4 192 B8R1.4 Nc1ccnc(n1)O 271570a_203496583355_100000757536 [0,0,0,1,0,0|3,0,0]=4 193 B8R1.4 Nc1cncc(c1)O 271570a_203496583355_100000687067 [0,0,0,1,0,0|3,0,0]=4 194 B8R1.4 Nc1cncc(n1)O 271570a_203496583355_100009819714 [0,0,0,1,0,0|3,0,0]=4 195 B8R1.4 Nc1nccc(n1)O 271570a_203496583355_100009820717 [0,0,0,1,0,0|3,0,0]=4 196 B8R1.4 O=c1cc(cc[nH]1)O 271570a_203496583355_100009816521 [0,0,0,1,0,0|3,0,0]=4 197 B8R1.4 O=c1cccc([nH]1)O 271570a_203496583355_100000761760 [0,0,0,1,0,0|2,0,0]=3 198 B8R1.4 O=c1nc(cc[nH]1)O 271570a_203496583355_200000134032 [0,0,0,1,0,0|3,0,0]=4 199 B8R1.4 Oc1cc(ccn1)Cl 271570a_203496583355_100010167805 [0,0,0,1,0,0|3,0,0]=4 200 B8R1.4 Oc1cc(ccn1)F 271570a_203496583355_100009817058 [0,0,0,1,0,0|3,0,0]=4 201 B8R1.4 Oc1cccc(c1)Br 271570a_203496583355_100000691529 [0,0,0,1,0,0|2,0,0]=3 202 B8R1.4 Oc1cccc(c1)Cl 271570a_203496583355_100000699651 [0,0,0,1,0,0|2,0,0]=3 203 B8R1.4 Oc1cccc(c1)F 271570a_203496583355_100000685547 [0,0,0,1,0,0|2,0,0]=3 204 B8R1.4 Oc1cccc(c1)O 271570a_203496583355_100000211634 [0,0,0,1,0,0|2,0,0]=3 205 B8R1.4 Oc1cccc(c1)[S] 271570a_203496583355_114929384022 [0,0,0,1,0,0|2,0,0]=3 206 B8R1.4 Oc1cccc(n1)Br 271570a_203496583355_100000684672 [0,0,0,1,0,0|2,0,0]=3 207 B8R1.4 Oc1cccc(n1)F 271570a_203496583355_100009815982 [0,0,0,1,0,0|2,0,0]=3 208 B8R1.4 Oc1ccnc(c1)Br 271570a_203496583355_100009814637 [0,0,0,1,0,0|3,0,0]=4 209 B8R1.4 Oc1ccnc(c1)Cl 271570a_203496583355_100000035001 [0,0,0,1,0,0|3,0,0]=4 210 B8R1.4 Oc1ccnc(c1)F 271570a_203496583355_100009816116 [0,0,0,1,0,0|3,0,0]=4 211 B8R1.4 Oc1ccnc(c1)O 271570a_203496583355_100000762945 [0,0,0,1,0,0|3,0,0]=4 212 B8R1.4 Oc1ccnc(n1)O 271570a_203496583355_100011649813 [0,0,0,1,0,0|3,0,0]=4 213 B8R1.4 Oc1cncc(c1)Br 271570a_203496583355_100000728054 [0,0,0,1,0,0|3,0,0]=4 214 B8R1.4 Oc1cncc(c1)Cl 271570a_203496583355_100000049639 [0,0,0,1,0,0|3,0,0]=4 215 B8R1.4 Oc1cncc(c1)F 271570a_203496583355_100000744099 [0,0,0,1,0,0|3,0,0]=4 216 B8R1.4 Oc1cncc(c1)O 271570a_203496583355_100000754920 [0,0,0,1,0,0|3,0,0]=4 217 B8R1.4 Oc1cncc(n1)F 271570a_203496583355_200009863489 [0,0,0,1,0,0|3,0,0]=4 218 B8R1.4 Oc1cncc(n1)O 271570a_203496583355_100011269956 [0,0,0,1,0,0|3,0,0]=4 219 B8R1.4 [O-][n+]1cccc(c1)O 271570a_203496583355_100009815978 [0,0,0,1,0,0|3,0,0]=4 220 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [0,0,0,1,0,0|3,0,0]=4 221 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [0,0,0,1,0,0|3,0,0]=4 222 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,1,0,0|1,0,2]=4 223 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,0,0,1,0,0|2,0,1]=4 224 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,0,0,1,0,0|2,0,1]=4 225 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,0,0,1,0,0|1,0,2]=4 226 B8R1.7 CC(=O)N1CC=CC1 1626a_100015195280_100015343762 [0,0,0,1,0,0|2,0,1]=4 227 B8R1.7 CC(=O)N1CC=CC1 240690a_100015195280_100015343762 [0,0,0,1,0,0|2,0,1]=4 228 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,1,0,0|1,0,2]=4 229 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,0,0,1,0,0|2,0,1]=4 230 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,0,0,1,0,0|2,0,1]=4 231 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,0,0,1,0,0|1,0,2]=4 232 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [0,0,0,1,0,0|1,0,2]=4 233 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [0,0,0,1,0,0|1,0,2]=4 234 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [0,0,0,1,0,0|1,0,2]=4 235 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [0,0,0,1,0,0|1,0,2]=4 236 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [2,0,0,0,0,0|1,0,1]=4 237 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [2,0,0,0,0,0|1,0,1]=4 238 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [2,0,0,0,0,0|1,0,1]=4 239 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [2,0,0,0,0,0|2,0,0]=4 240 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [2,0,0,0,0,0|2,0,0]=4 241 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [2,0,0,0,0,0|2,0,0]=4 242 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|1,0,0]=3 243 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|1,0,0]=3 244 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,1]=4 245 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [2,0,0,0,0,0|2,0,0]=4 246 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [2,0,0,0,0,0|2,0,0]=4 247 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [2,0,0,0,0,0|2,0,0]=4 248 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,1]=4 249 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [1,1,0,0,0,0|1,0,1]=4 250 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [1,1,0,0,0,0|0,0,2]=4 251 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,1,0,0,0,0|1,0,1]=4 252 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,1,0,0,0,0|1,0,1]=4 253 B7R0.3 C#CC(=O)C/C=C/C 1458a_100000211873_100102629194 [1,1,0,0,0,0|1,0,1]=4 254 B7R0.3 C#CC(=O)CC=CC 1458a_100000211873_100000070051 [1,1,0,0,0,0|1,0,1]=4 255 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,1,0,0,0,0|1,0,1]=4 256 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,1,0,0,0,0|0,0,1]=3 257 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [1,1,0,0,0,0|1,0,1]=4 258 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [1,1,0,0,0,0|1,0,1]=4 259 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [1,1,0,0,0,0|1,0,0]=3 260 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [1,1,0,0,0,0|1,0,0]=3 261 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [1,1,0,0,0,0|1,0,0]=3 262 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [1,1,0,0,0,0|0,0,2]=4 263 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [1,1,0,0,0,0|1,0,1]=4 264 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [1,1,0,0,0,0|1,0,1]=4 265 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,1,0,0,0,0|1,0,1]=4 266 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,1,0,0,0,0|1,0,1]=4 267 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [1,1,0,0,0,0|1,0,1]=4 268 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,1,0,0,0,0|0,0,1]=3 269 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,1,0,0,0,0|1,0,1]=4 270 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,1,0,0,0,0|1,0,1]=4 271 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,1,0,0,0,0|1,0,1]=4 272 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,1,0,0,0,0|1,0,1]=4 273 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,1,0,0,0,0|2,0,0]=4 274 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,1,0,0,0,0|1,0,1]=4 275 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,1,0,0,0,0|1,0,1]=4 276 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,1,0,0,0,0|1,0,1]=4 277 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,1,0,0,0,0|1,0,1]=4 278 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,1,0,0,0,0|1,0,1]=4 279 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [1,1,0,0,0,0|2,0,0]=4 280 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [1,1,0,0,0,0|2,0,0]=4 281 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [1,1,0,0,0,0|2,0,0]=4 282 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,1,0,0,0,0|1,0,1]=4 283 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,1,0,0,0,0|1,0,1]=4 284 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,1,0,0,0,0|1,0,1]=4 285 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [1,1,0,0,0,0|1,0,1]=4 286 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,1,0,0,0,0|1,0,1]=4 287 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,1,0,0,0,0|1,0,1]=4 288 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [1,1,0,0,0,0|1,0,1]=4 289 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [1,1,0,0,0,0|0,0,1]=3 290 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [1,1,0,0,0,0|0,0,1]=3 291 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [1,1,0,0,0,0|0,0,2]=4 292 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [1,1,0,0,0,0|0,0,2]=4 293 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [1,1,0,0,0,0|0,0,2]=4 294 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [1,1,0,0,0,0|0,0,2]=4 295 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [1,1,0,0,0,0|0,0,2]=4 296 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [1,1,0,0,0,0|1,0,1]=4 297 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,1,0,0,0,0|0,0,2]=4 298 B9R0.4 C/C=C/CC(=O)C=C(C)C 1458a_100000211388_100102629194 [0,2,0,0,0,0|2,0,0]=4 299 B9R0.4 C/C=C/CC(=O)C=C(C)Cl 1458a_200042562850_100102629194 [0,2,0,0,0,0|2,0,0]=4 300 B9R0.4 C/C=C/CC(=O)C=C(C)I 1458a_100025716642_100102629194 [0,2,0,0,0,0|2,0,0]=4 301 B9R0.4 C/C=C/CC(=O)C=C(Cl)Cl 1458a_100000137448_100102629194 [0,2,0,0,0,0|2,0,0]=4 302 B9R0.4 C/C=C/CC(=O)CC(=O)N 1458a_100134613110_100102629194 [0,2,0,0,0,0|1,0,1]=4 303 B9R0.4 C/C=C/CN(C)CC(=O)O 269956a_100000746989_100102629194 [0,2,0,0,0,0|0,0,2]=4 304 B9R0.4 C=CC=CC(=O)CC(=O)N 1458a_100016291481_100000187820 [0,2,0,0,0,0|1,0,1]=4 305 B9R0.4 C=CC=CC(=O)CC(=O)[O-] 1458a_100016291481_100020667443 [0,2,0,0,0,0|0,0,2]=4 306 B9R0.4 CC=CCC(=O)C=C(C)C 1458a_100000211388_100000070051 [0,2,0,0,0,0|2,0,0]=4 307 B9R0.4 CC=CCC(=O)C=C(C)Cl 1458a_200042562850_100000070051 [0,2,0,0,0,0|2,0,0]=4 308 B9R0.4 CC=CCC(=O)C=C(C)I 1458a_100025716642_100000070051 [0,2,0,0,0,0|2,0,0]=4 309 B9R0.4 CC=CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000070051 [0,2,0,0,0,0|2,0,0]=4 310 B9R0.4 CC=CCC(=O)CC(=O)N 1458a_100121576822_100000187820 [0,2,0,0,0,0|1,0,1]=4 311 B9R0.4 CC=CCC(=O)CC(=O)N 1458a_100134613110_100000070051 [0,2,0,0,0,0|1,0,1]=4 312 B9R0.4 CC=CCC(=O)CC(=O)[O-] 1458a_100121576822_100020667443 [0,2,0,0,0,0|0,0,2]=4 313 B9R0.4 CCC=CC(=O)CC(=O)N 1458a_100000212282_100000187820 [0,2,0,0,0,0|1,0,1]=4 314 B9R0.4 CCC=CC(=O)CC(=O)[O-] 1458a_100000212282_100020667443 [0,2,0,0,0,0|0,0,2]=4 315 B9R0.4 COC=CC(=O)CC(=O)N 1458a_100016268678_100000187820 [0,2,0,0,0,0|1,0,1]=4 316 B9R0.4 COC=CC(=O)CC(=O)[O-] 1458a_100016268678_100020667443 [0,2,0,0,0,0|0,0,2]=4 317 B9R0.6 CC=CC(=O)C(C)C(=O)C 1458a_100000210699_100000179758 [0,2,0,0,0,0|1,0,1]=4 318 B9R0.6 CC=CC(=O)C(C)C(=O)N 1458a_100000210699_100000702099 [0,2,0,0,0,0|1,0,1]=4 319 B9R0.6 CC=CC(=O)C(F)C(=O)N 1458a_100000210699_100009813875 [0,2,0,0,0,0|1,0,1]=4 320 B9R0.6 CC=CC(=O)C(F)C(=O)[O-] 1458a_100000210699_100020610796 [0,2,0,0,0,0|0,0,2]=4 321 B9R0.23 C/C=C(\C)/C(=O)CC(=O)N 1458a_100020587367_100000187820 [0,2,0,0,0,0|1,0,1]=4 322 B9R0.23 C/C=C(\C)/C(=O)CC(=O)[O-] 1458a_100020587367_100020667443 [0,2,0,0,0,0|0,0,2]=4 323 B9R0.34 CC=CC(=O)CC(=O)CC 1458a_100000210699_100000747405 [0,2,0,0,0,0|1,0,1]=4 324 B9R0.34 CC=CC(=O)CC(=O)NC 1458a_100000210699_100000183359 [0,2,0,0,0,0|1,0,1]=4 325 B9R0.34 CC=CC(=O)CC(=O)OC 1458a_100000210699_100000747449 [0,2,0,0,0,0|0,0,1]=3 326 B9R0.34 COC(=O)CC(=O)C=CBr 1458a_100016273825_100000747449 [0,2,0,0,0,0|1,0,1]=4 327 B9R0.34 COC(=O)CC(=O)C=CCl 1458a_200016279998_100000747449 [0,2,0,0,0,0|1,0,1]=4 328 B9R0.34 COC(=O)CC(=O)C=CI 1458a_100016256311_100000747449 [0,2,0,0,0,0|1,0,1]=4 329 B9R0.53 CC(=CC(=O)CC(=O)N)C 1458a_100000211388_100000187820 [0,2,0,0,0,0|1,0,1]=4 330 B9R0.53 CC(=CC(=O)CC(=O)N)Cl 1458a_200042562850_100000187820 [0,2,0,0,0,0|1,0,1]=4 331 B9R0.53 CC(=CC(=O)CC(=O)N)I 1458a_100025716642_100000187820 [0,2,0,0,0,0|1,0,1]=4 332 B9R0.53 CC(=CC(=O)CC(=O)[O-])C 1458a_100000211388_100020667443 [0,2,0,0,0,0|0,0,2]=4 333 B9R0.53 CC(=CC(=O)CC(=O)[O-])Cl 1458a_200042562850_100020667443 [0,2,0,0,0,0|0,0,2]=4 334 B9R0.53 CC(=CC(=O)CC(=O)[O-])I 1458a_100025716642_100020667443 [0,2,0,0,0,0|0,0,2]=4 335 B9R0.1 C/C=C(\C)/C=NNC(=O)C 4a_100000189765_100020587592 [0,2,0,0,0,0|2,0,0]=4 336 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,2,0,0,0,0|0,0,2]=4 337 B9R0.1 CC(=CCNC(=O)CO)C 527a_100000718196_100000210174 [0,2,0,0,0,0|1,0,1]=4 338 B9R0.1 COC(=O)/C=C/CN(C)C 2230a_100102631434_100000742655 [0,2,0,0,0,0|1,0,1]=4 339 B9R0.1 COC(=O)/C=C/CN(C)C 269982a_100102631434_100000742655 [0,2,0,0,0,0|1,0,1]=4 340 B9R0.1 COC(=O)C=NNC(=O)C 4a_100000189765_200011823558 [0,2,0,0,0,0|2,0,0]=4 341 B9R0.5 C#CCC(=O)C=C/C=C/C 1458a_100000185730_100000184674 [0,2,0,0,0,0|1,0,0]=3 342 B9R0.5 C/C=C/C=CC(=O)CC#N 1458a_100000185730_100011214920 [0,2,0,0,0,0|1,0,0]=3 343 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [0,2,0,0,0,0|1,0,0]=3 344 B9R0.5 C/C=C/C=CC(=O)CCF 1458a_100000185730_100011217306 [0,2,0,0,0,0|1,0,0]=3 345 B9R0.5 C/C=C/C=CC(=O)CCO 1458a_100000185730_100000211926 [0,2,0,0,0,0|0,0,0]=2 346 B9R0.5 C/C=C/C=CC(=O)NCC 11a_100015525214_100000185730 [0,2,0,0,0,0|1,0,0]=3 347 B9R0.5 C/C=C/C=CC(=O)NCC 240690a_100015525214_100000185730 [0,2,0,0,0,0|1,0,0]=3 348 B9R0.5 C/C=C/C=CC(=O)NNC 22a_100016993582_100000185730 [0,2,0,0,0,0|1,0,0]=3 349 B9R0.5 C=CCC(=O)C=C/C=C/C 1458a_100000185730_100000210623 [0,2,0,0,0,0|1,0,0]=3 350 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [0,2,0,0,0,0|0,0,2]=4 351 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [0,2,0,0,0,0|0,0,2]=4 352 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,2,0,0,0,0|0,0,2]=4 353 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,2,0,0,0,0|0,0,2]=4 354 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,2,0,0,0,0|1,0,1]=4 355 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,2,0,0,0,0|1,0,1]=4 356 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,2,0,0,0,0|1,0,1]=4 357 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,2,0,0,0,0|1,0,1]=4 358 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,2,0,0,0,0|1,0,1]=4 359 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,2,0,0,0,0|1,0,1]=4 360 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,2,0,0,0,0|1,0,1]=4 361 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,2,0,0,0,0|1,0,1]=4 362 B9R0.5 CCOC=CC(=O)CCO 1458a_100016266692_100000211926 [0,2,0,0,0,0|1,0,1]=4 363 B9R0.5 COCC=CC(=O)CCO 1458a_100016285016_100000211926 [0,2,0,0,0,0|1,0,1]=4 364 B9R0.8 C/C=C/CC(=O)C(=O)NC 1458a_100011218921_100102629194 [0,2,0,0,0,0|1,0,1]=4 365 B9R0.8 CC=CCC(=O)C(=O)NC 1458a_100011218921_100000070051 [0,2,0,0,0,0|1,0,1]=4 366 B9R0.24 CC=C(C)C=CC(=O)CC 1458a_100000692105_100000210202 [0,2,0,0,0,0|1,0,0]=3 367 B9R0.24 CC=C(C)C=CC(=O)CF 1458a_100000692105_100015361967 [0,2,0,0,0,0|1,0,0]=3 368 B9R0.24 CC=C(C)C=CC(=O)NC 1626a_100102657272_100000692105 [0,2,0,0,0,0|1,0,0]=3 369 B9R0.24 CCC(=O)C=CC(=O)NC 1458a_100016259477_100000210202 [0,2,0,0,0,0|1,0,1]=4 370 B9R0.24 CNC(=O)C=CC(=O)CF 1458a_100016259477_100015361967 [0,2,0,0,0,0|2,0,0]=4 371 B9R0.24 CNC(=O)C=CC(=O)NC 1626a_100102657272_100016259477 [0,2,0,0,0,0|2,0,0]=4 372 B9R0.24 CNC(=O)C=CC(=O)OC 1626a_100102657272_100016283253 [0,2,0,0,0,0|1,0,0]=3 373 B9R0.46 C/C=C/COCC(=O)OC 34a_100016270725_100000747449 [0,2,0,0,0,0|0,0,2]=4 374 B9R0.46 C/C=C/CSCC(=O)OC 62a_100000747449_100102629194 [0,2,0,0,0,0|0,0,2]=4 375 B9R0.46 C/C=C/CSCC(=O)OC 62a_100102629194_100000747449 [0,2,0,0,0,0|0,0,2]=4 376 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,2,0,0,0,0|0,0,2]=4 377 B9R0.46 CC=CCSCC(=O)OC 62a_100000070051_100000747449 [0,2,0,0,0,0|0,0,2]=4 378 B9R0.46 CC=CCSCC(=O)OC 62a_100000747449_100000070051 [0,2,0,0,0,0|0,0,2]=4 379 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [0,2,0,0,0,0|0,0,2]=4 380 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [0,2,0,0,0,0|0,0,2]=4 381 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [0,2,0,0,0,0|0,0,2]=4 382 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [0,2,0,0,0,0|0,0,2]=4 383 B9R0.46 COC(=O)/C=C/CSCF 62a_100000742655_100015361967 [0,2,0,0,0,0|1,0,1]=4 384 B9R0.46 COC(=O)/C=C/CSCF 62a_100015361967_100000742655 [0,2,0,0,0,0|1,0,1]=4 385 B9R0.47 C/C=C/C=CC(=O)C(C)C 1458a_100000185730_100000210206 [0,2,0,0,0,0|1,0,0]=3 386 B9R0.47 C/C=C/C=CC(=O)N(C)C 11a_100102631434_100000185730 [0,2,0,0,0,0|1,0,0]=3 387 B9R0.47 C/C=C/C=CC(=O)N(C)C 1626a_100102631434_100000185730 [0,2,0,0,0,0|1,0,0]=3 388 B9R0.47 C/C=C/C=CC(=O)N(C)C 240690a_100102631434_100000185730 [0,2,0,0,0,0|1,0,0]=3 389 B9R0.47 C/C=C/CN[C@@H](C)C(=O)O 269956a_100000743915_100102629194 [0,2,0,0,0,0|0,0,2]=4 390 B9R0.47 CC/C=C\CC(=O)C(O)O 1458a_100000233687_100103147603 [0,2,0,0,0,0|0,0,2]=4 391 B9R0.47 CC/C=C\CC(=O)[C@@H](C)O 1458a_100000717761_100103147603 [0,2,0,0,0,0|0,0,2]=4 392 B9R0.47 CC/C=C\CC(=O)[C@H](C)O 1458a_217856618621_100103147603 [0,2,0,0,0,0|0,0,2]=4 393 B9R0.2 C/C=C/CNOCC(=O)O 269956a_100000106656_100102629194 [0,2,0,0,0,0|0,0,2]=4 394 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [0,2,0,0,0,0|0,0,2]=4 395 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [0,2,0,0,0,0|1,0,0]=3 396 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [0,2,0,0,0,0|1,0,0]=3 397 B9R0.2 CCC=CC=NNC(=O)C 4a_100000189765_100011216943 [0,2,0,0,0,0|1,0,1]=4 398 B9R0.48 CC=CC(=NNC(=O)C)C 4a_100000189765_100011218416 [0,2,0,0,0,0|2,0,0]=4 399 B9R0.48 CC=CC(=O)CC=C(C)C 1458a_100000210699_100000761012 [0,2,0,0,0,0|2,0,0]=4 400 B9R0.48 CC=CC(=O)NCC(=O)N 11a_100000711301_100000210699 [0,2,0,0,0,0|1,0,1]=4 401 B9R0.48 CC=CC(=O)NCC(=O)N 240690a_100000711301_100000210699 [0,2,0,0,0,0|1,0,1]=4 402 B9R0.48 CC=CC(=O)NNC(=O)C 22a_100000189765_100000210699 [0,2,0,0,0,0|2,0,0]=4 403 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,2,0,0,0,0|1,0,1]=4 404 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,2,0,0,0,0|1,0,1]=4 405 B9R0.55 CC(=CCNCC(=O)O)C 269956a_100016091260_100000761012 [0,2,0,0,0,0|0,0,2]=4 406 B9R0.55 CC(=O)NN=CC=C(C)C 4a_100000189765_100011215525 [0,2,0,0,0,0|2,0,0]=4 407 B9R0.7 CC(=O)C=CC(=O)N(C)C 1458a_100011200747_200000210301 [0,2,0,0,0,0|2,0,0]=4 408 B9R0.7 CN(C)C(=O)C=CC(=O)[13CH3] 1458a_100011200747_200025704644 [0,2,0,0,0,0|2,0,0]=4 409 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [1,0,0,1,0,0|2,0,0]=4 410 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [1,0,0,1,0,0|2,0,0]=4 411 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [1,0,0,1,0,0|0,1,0]=3 412 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [1,0,0,1,0,0|1,1,0]=4 413 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [1,0,0,1,0,0|2,0,0]=4 414 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [1,0,0,1,0,0|2,0,0]=4 415 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [1,0,0,1,0,0|2,0,0]=4 416 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [1,0,0,1,0,0|2,0,0]=4 417 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [1,0,0,1,0,0|1,1,0]=4 418 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [1,0,0,1,0,0|2,0,0]=4 419 B7R1.2 Oc1ccc(s1)Br 271570a_203496583355_100010197418 [1,0,0,1,0,0|1,1,0]=4 420 B7R1.3 Oc1ccccc1 271570a_203496583355_100000210277 [1,0,0,1,0,0|1,0,0]=3 421 B7R1.3 Oc1ccccn1 271570a_203496583355_100011216584 [1,0,0,1,0,0|1,0,0]=3 422 B7R1.3 Oc1cccnc1 271570a_203496583355_100000752921 [1,0,0,1,0,0|2,0,0]=4 423 B7R1.3 Oc1cccnn1 271570a_203496583355_100016991348 [1,0,0,1,0,0|2,0,0]=4 424 B7R1.3 Oc1ccncc1 271570a_203496583355_100000035832 [1,0,0,1,0,0|2,0,0]=4 425 B7R1.3 Oc1ccncn1 271570a_203496583355_100000703185 [1,0,0,1,0,0|2,0,0]=4 426 B7R1.3 Oc1cnccn1 271570a_203496583355_100000758340 [1,0,0,1,0,0|2,0,0]=4 427 B7R1.3 Oc1ncccn1 271570a_203496583355_100000211032 [1,0,0,1,0,0|2,0,0]=4 428 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [1,0,0,1,0,0|0,0,1]=3 429 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [1,0,0,1,0,0|0,1,1]=4 430 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [1,0,0,1,0,0|1,0,1]=4 431 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [1,0,0,1,0,0|1,0,1]=4 432 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,0,0,1,0,0|1,0,0]=3 433 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,0,0,1,0,0|1,0,0]=3 434 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,0,0,1,0,0|1,1,0]=4 435 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,0,0,1,0,0|1,1,0]=4 436 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [1,0,0,1,0,0|2,0,0]=4 437 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [1,0,0,1,0,0|2,0,0]=4 438 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [1,0,0,1,0,0|2,0,0]=4 439 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [1,0,0,1,0,0|2,0,0]=4 440 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,0,0,1,0,0|1,0,0]=3 441 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,0,0,1,0,0|1,0,0]=3 442 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,0,0,1,0,0|1,1,0]=4 443 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,0,0,1,0,0|1,1,0]=4 444 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [1,0,0,1,0,0|2,0,0]=4 445 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [1,0,0,1,0,0|2,0,0]=4 446 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [1,0,0,1,0,0|2,0,0]=4 447 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [1,0,0,1,0,0|2,0,0]=4 448 B7R1.4 Cc1[nH]cnc1O 271570a_203496583355_100009816806 [1,0,0,1,0,0|2,0,0]=4 449 B7R1.4 Cc1c[nH]nc1O 271570a_203496583355_100009871783 [1,0,0,1,0,0|2,0,0]=4 450 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [1,0,0,1,0,0|1,0,0]=3 451 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [1,0,0,1,0,0|1,0,0]=3 452 B7R1.4 Cc1n[nH]cc1O 271570a_203496583355_100011912673 [1,0,0,1,0,0|2,0,0]=4 453 B7R1.4 Cc1ncsc1O 271570a_203496583355_100009817116 [1,0,0,1,0,0|2,0,0]=4 454 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [1,0,0,1,0,0|2,0,0]=4 455 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [1,0,0,1,0,0|1,0,0]=3 456 B7R1.4 Cc1scnc1O 271570a_203496583355_100000732656 [1,0,0,1,0,0|2,0,0]=4 457 B7R1.4 Cn1ccnc1O 271570a_203496583355_100000707724 [1,0,0,1,0,0|2,0,0]=4 458 B7R1.4 Cn1cncc1O 271570a_203496583355_100009814087 [1,0,0,1,0,0|2,0,0]=4 459 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [1,0,0,1,0,0|2,0,0]=4 460 B7R1.4 Oc1cscc1Br 271570a_203496583355_100010143727 [1,0,0,1,0,0|2,0,0]=4 461 B7R1.4 Oc1sccc1Br 271570a_203496583355_100012361411 [1,0,0,1,0,0|2,0,0]=4 462 B9R1.7 CC=Cc1c[nH]c(n1)C 271570a_100016259895_100009814057 [0,1,0,1,0,0|2,0,0]=4 463 B9R1.7 CC=Cc1cc([nH]n1)C 271570a_100016259895_100015199547 [0,1,0,1,0,0|2,0,0]=4 464 B9R1.7 CC=Cc1cc([nH]n1)N 271570a_100016259895_100009822546 [0,1,0,1,0,0|2,0,0]=4 465 B9R1.7 CC=Cc1cc(cs1)C 271570a_100016259895_100009876951 [0,1,0,1,0,0|1,1,0]=4 466 B9R1.7 CC=Cc1cc(n[nH]1)Br 271570a_100016259895_100160470719 [0,1,0,1,0,0|2,0,0]=4 467 B9R1.7 CC=Cc1cc(ns1)C 271570a_100016259895_100009815735 [0,1,0,1,0,0|1,1,0]=4 468 B9R1.7 CC=Cc1ccc(s1)Br 271570a_100016259895_100010197418 [0,1,0,1,0,0|1,1,0]=4 469 B9R1.7 CC=Cc1ccc(s1)C 271570a_100016259895_100000761539 [0,1,0,1,0,0|1,1,0]=4 470 B9R1.7 CC=Cc1cnc(s1)C 271570a_100016259895_100000764884 [0,1,0,1,0,0|1,1,0]=4 471 B9R1.7 CC=Cc1csc(c1)C 271570a_100016259895_100000759034 [0,1,0,1,0,0|1,1,0]=4 472 B9R1.7 CC=Cc1csc(n1)C 271570a_100016259895_100011934587 [0,1,0,1,0,0|2,0,0]=4 473 B9R1.7 CC=Cc1csc(n1)N 271570a_100016259895_100011998049 [0,1,0,1,0,0|2,0,0]=4 474 B9R1.7 CC=Cc1nc(c[nH]1)C 271570a_100016259895_100161115468 [0,1,0,1,0,0|2,0,0]=4 475 B9R1.7 CC=Cc1nc(cs1)Br 271570a_100016259895_200016082925 [0,1,0,1,0,0|2,0,0]=4 476 B9R1.7 CC=Cc1nc(cs1)C 271570a_100016259895_100011291629 [0,1,0,1,0,0|2,0,0]=4 477 B9R1.7 CC=Cc1nc(cs1)N 271570a_100016259895_200015188442 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.7 CC=Cc1nc(no1)C 270196a_100000212224_100000210699 [0,1,0,1,0,0|2,0,0]=4 479 B9R1.7 CC=Cc1ncc(s1)C 271570a_100016259895_100000690809 [0,1,0,1,0,0|1,1,0]=4 480 B9R1.7 CC=Cc1nnc(o1)C 271570a_100016259895_100000708914 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.7 CC=Cc1noc(n1)C 270196a_200000210507_100000070787 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.7 CC=Cc1noc(n1)C 271570a_100016259895_100012003639 [0,1,0,1,0,0|2,0,0]=4 483 B9R1.7 CC=Cc1noc(n1)O 270196a_200000210507_100015183105 [0,1,0,1,0,0|1,0,1]=4 484 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [0,1,0,1,0,0|0,1,1]=4 485 B9R1.7 CNCC1=CC(=O)OC1 34a_100102657272_100000716558 [0,1,0,1,0,0|1,0,1]=4 486 B9R1.7 CNCc1ccc(o1)Br 207a_100102657272_100000185145 [0,1,0,1,0,0|1,0,1]=4 487 B9R1.7 CNCc1ccc(o1)Br 270004a_106832991635_100000185145 [0,1,0,1,0,0|1,0,1]=4 488 B9R1.7 CNCc1ccc(o1)Br 34a_100000708654_200000210301 [0,1,0,1,0,0|1,0,1]=4 489 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [0,1,0,1,0,0|1,0,1]=4 490 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [0,1,0,1,0,0|1,0,1]=4 491 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [0,1,0,1,0,0|1,0,1]=4 492 B9R1.7 CNCc1ccc(o1)Cl 207a_100102657272_100000188459 [0,1,0,1,0,0|1,0,1]=4 493 B9R1.7 CNCc1ccc(o1)Cl 270004a_106832991635_100000188459 [0,1,0,1,0,0|1,0,1]=4 494 B9R1.7 CNCc1ccc(o1)I 207a_100102657272_100000186757 [0,1,0,1,0,0|1,0,1]=4 495 B9R1.7 CNCc1ccc(o1)O 271570a_203496583355_100000207588 [0,1,0,1,0,0|0,0,2]=4 496 B9R1.7 COCC1=CC(=O)OC1 34a_100138415774_100000716558 [0,1,0,1,0,0|1,0,1]=4 497 B9R1.7 COCc1ccc(o1)Br 34a_100000246276_200000210301 [0,1,0,1,0,0|1,0,1]=4 498 B9R1.7 COCc1ccc(o1)Br 7a_100000246276_200000210301 [0,1,0,1,0,0|1,0,1]=4 499 B9R1.7 COCc1ccc(o1)C 34a_100011232665_200000210301 [0,1,0,1,0,0|1,0,1]=4 500 B9R1.7 COCc1ccc(o1)C 7a_100011232665_200000210301 [0,1,0,1,0,0|1,0,1]=4 501 B9R1.7 CSCC1=CC(=O)OC1 62a_100000716558_200000210301 [0,1,0,1,0,0|1,0,1]=4 502 B9R1.7 CSCC1=CC(=O)OC1 62a_200000210301_100000716558 [0,1,0,1,0,0|1,0,1]=4 503 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [0,1,0,1,0,0|1,0,1]=4 504 B9R1.7 Cc1ccc(o1)CO[13CH3] 34a_100011232665_200025704644 [0,1,0,1,0,0|1,0,1]=4 505 B9R1.7 Cc1ccc(o1)CO[13CH3] 7a_100011232665_200025704644 [0,1,0,1,0,0|1,0,1]=4 506 B9R1.7 [13CH3]NCc1ccc(o1)Br 34a_100000708654_200025704644 [0,1,0,1,0,0|1,0,1]=4 507 B9R1.7 [13CH3]OCc1ccc(o1)Br 34a_100000246276_200025704644 [0,1,0,1,0,0|1,0,1]=4 508 B9R1.7 [13CH3]OCc1ccc(o1)Br 7a_100000246276_200025704644 [0,1,0,1,0,0|1,0,1]=4 509 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_100000716558_200025704644 [0,1,0,1,0,0|1,0,1]=4 510 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_200025704644_100000716558 [0,1,0,1,0,0|1,0,1]=4 511 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,1,0,1,0,0|2,0,0]=4 512 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,1,0,1,0,0|2,0,0]=4 513 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,1,0,1,0,0|2,0,0]=4 514 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,1,0,1,0,0|2,0,0]=4 515 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,1,0,1,0,0|2,0,0]=4 516 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,1,0,1,0,0|2,0,0]=4 517 B9R1.22 Cc1cc(sc1C=O)O 271570a_203496583355_100010221198 [0,1,0,1,0,0|1,1,0]=4 518 B9R1.34 Cc1cc(cc(=O)[nH]1)O 271570a_203496583355_100009861981 [0,1,0,1,0,0|1,0,0]=3 519 B9R1.34 Cc1cc(cc(c1)Cl)O 271570a_203496583355_100010172791 [0,1,0,1,0,0|1,0,0]=3 520 B9R1.34 Cc1cc(cc(c1)F)O 271570a_203496583355_100011356977 [0,1,0,1,0,0|1,0,0]=3 521 B9R1.34 Cc1cc(cc(c1)O)C 271570a_203496583355_100011215608 [0,1,0,1,0,0|1,0,0]=3 522 B9R1.34 Cc1cc(cc(c1)O)N 271570a_203496583355_100000695972 [0,1,0,1,0,0|1,0,0]=3 523 B9R1.34 Cc1cc(cc(c1)O)O 271570a_203496583355_100011999630 [0,1,0,1,0,0|1,0,0]=3 524 B9R1.34 Cc1cc(cc(n1)C)O 271570a_203496583355_100009816552 [0,1,0,1,0,0|2,0,0]=4 525 B9R1.34 Cc1cc(cc(n1)F)O 271570a_203496583355_100010006595 [0,1,0,1,0,0|2,0,0]=4 526 B9R1.34 Cc1cc(cc(n1)N)O 271570a_203496583355_100000076705 [0,1,0,1,0,0|2,0,0]=4 527 B9R1.34 Cc1cc(nc(c1)F)O 271570a_203496583355_100009819601 [0,1,0,1,0,0|2,0,0]=4 528 B9R1.34 Cc1cc(nc(c1)O)C 271570a_203496583355_100000069240 [0,1,0,1,0,0|1,0,0]=3 529 B9R1.34 Cc1cc(nc(c1)O)N 271570a_203496583355_100009819863 [0,1,0,1,0,0|2,0,0]=4 530 B9R1.34 Cc1cc(nc(n1)C)O 271570a_203496583355_100000736142 [0,1,0,1,0,0|2,0,0]=4 531 B9R1.34 Cc1cc(nc(n1)O)C 271570a_203496583355_100000736147 [0,1,0,1,0,0|2,0,0]=4 532 B9R1.34 Cc1cc(nc(n1)O)N 271570a_203496583355_100000687285 [0,1,0,1,0,0|2,0,0]=4 533 B9R1.34 Cc1nc(cc(n1)O)N 271570a_203496583355_100012178882 [0,1,0,1,0,0|2,0,0]=4 534 B9R1.34 Cc1nc(cc(n1)O)O 271570a_203496583355_106741647437 [0,1,0,1,0,0|2,0,0]=4 535 B9R1.34 Nc1cc(cc(c1)Br)O 271570a_203496583355_100009814763 [0,1,0,1,0,0|2,0,0]=4 536 B9R1.34 Nc1cc(cc(c1)Cl)O 271570a_203496583355_100010147676 [0,1,0,1,0,0|2,0,0]=4 537 B9R1.34 Nc1cc(cc(c1)F)O 271570a_203496583355_100011356972 [0,1,0,1,0,0|2,0,0]=4 538 B9R1.34 Nc1cc(cc(c1)O)N 271570a_203496583355_100011999608 [0,1,0,1,0,0|2,0,0]=4 539 B9R1.34 Oc1cc(cc(c1)Br)Br 271570a_203496583355_100009814770 [0,1,0,1,0,0|2,0,0]=4 540 B9R1.34 Oc1cc(cc(c1)Br)Cl 271570a_203496583355_100009814755 [0,1,0,1,0,0|2,0,0]=4 541 B9R1.34 Oc1cc(cc(c1)Br)F 271570a_203496583355_100009814764 [0,1,0,1,0,0|2,0,0]=4 542 B9R1.34 Oc1cc(cc(c1)Br)O 271570a_203496583355_100010068917 [0,1,0,1,0,0|2,0,0]=4 543 B9R1.34 Oc1cc(cc(c1)Cl)Cl 271570a_203496583355_100000747138 [0,1,0,1,0,0|2,0,0]=4 544 B9R1.34 Oc1cc(cc(c1)Cl)F 271570a_203496583355_100013859453 [0,1,0,1,0,0|2,0,0]=4 545 B9R1.34 Oc1cc(cc(c1)Cl)O 271570a_203496583355_100010068924 [0,1,0,1,0,0|2,0,0]=4 546 B9R1.34 Oc1cc(cc(c1)F)F 271570a_203496583355_100011218498 [0,1,0,1,0,0|2,0,0]=4 547 B9R1.34 Oc1cc(cc(c1)F)O 271570a_203496583355_100000717995 [0,1,0,1,0,0|2,0,0]=4 548 B9R1.34 Oc1cc(cc(c1)O)O 271570a_203496583355_100009868816 [0,1,0,1,0,0|2,0,0]=4 549 B9R1.41 C=C(C)c1ccsc1C 271570a_100000694244_100000684487 [0,1,0,1,0,0|2,0,0]=4 550 B9R1.41 C=C(C)c1cscc1C 271570a_100000694244_100000759966 [0,1,0,1,0,0|2,0,0]=4 551 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [0,1,0,1,0,0|2,0,0]=4 552 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,1,0,1,0,0|2,0,0]=4 553 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [0,1,0,1,0,0|0,0,2]=4 554 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [0,1,0,1,0,0|2,0,0]=4 555 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [0,1,0,1,0,0|0,0,2]=4 556 B9R1.1 C=Cc1ccc(=O)[nH]c1 271570a_100011290941_100000212171 [0,1,0,1,0,0|1,0,1]=4 557 B9R1.1 C=Cc1ccc(=O)[nH]n1 271570a_100011290941_100009820020 [0,1,0,1,0,0|1,0,1]=4 558 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [0,1,0,1,0,0|1,0,1]=4 559 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [0,1,0,1,0,0|1,0,1]=4 560 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [0,1,0,1,0,0|1,0,1]=4 561 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [0,1,0,1,0,0|1,0,1]=4 562 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [0,1,0,1,0,0|1,0,1]=4 563 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [0,1,0,1,0,0|2,0,0]=4 564 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [0,1,0,1,0,0|2,0,0]=4 565 B9R1.1 CNc1ccc(cn1)O 271570a_203496583355_100000741341 [0,1,0,1,0,0|2,0,0]=4 566 B9R1.1 CNc1ccc(nc1)O 271570a_203496583355_100000764248 [0,1,0,1,0,0|2,0,0]=4 567 B9R1.1 CNc1ccc(nn1)O 271570a_203496583355_100000215272 [0,1,0,1,0,0|2,0,0]=4 568 B9R1.1 COc1ccc(=O)[nH]c1 34a_100000075641_200000210301 [0,1,0,1,0,0|2,0,0]=4 569 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [0,1,0,1,0,0|2,0,0]=4 570 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [0,1,0,1,0,0|2,0,0]=4 571 B9R1.1 COc1ccc(nc1)O 271570a_203496583355_100000755202 [0,1,0,1,0,0|2,0,0]=4 572 B9R1.1 COc1ccc(nn1)O 271570a_203496583355_100009819040 [0,1,0,1,0,0|2,0,0]=4 573 B9R1.1 CSc1ccc(=O)[nH]c1 62a_100000212171_200000210301 [0,1,0,1,0,0|2,0,0]=4 574 B9R1.1 CSc1ccc(=O)[nH]c1 62a_200000210301_100000212171 [0,1,0,1,0,0|2,0,0]=4 575 B9R1.1 CSc1ccc(=O)[nH]n1 62a_100009820020_200000210301 [0,1,0,1,0,0|2,0,0]=4 576 B9R1.1 CSc1ccc(=O)[nH]n1 62a_200000210301_100009820020 [0,1,0,1,0,0|2,0,0]=4 577 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [0,1,0,1,0,0|2,0,0]=4 578 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [0,1,0,1,0,0|2,0,0]=4 579 B9R1.1 CSc1ccc(cn1)O 271570a_203496583355_100011408404 [0,1,0,1,0,0|2,0,0]=4 580 B9R1.1 CSc1ccc(cn1)O 62a_100000685995_200000210301 [0,1,0,1,0,0|2,0,0]=4 581 B9R1.1 CSc1ccc(cn1)O 62a_200000210301_100000744096 [0,1,0,1,0,0|2,0,0]=4 582 B9R1.1 CSc1ccc(nc1)O 271570a_203496583355_100009820866 [0,1,0,1,0,0|2,0,0]=4 583 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [0,1,0,1,0,0|2,0,0]=4 584 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [0,1,0,1,0,0|2,0,0]=4 585 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [0,1,0,1,0,0|2,0,0]=4 586 B9R1.1 O=Cc1ccc(nn1)O 271570a_203496583355_100000044651 [0,1,0,1,0,0|2,0,0]=4 587 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [0,1,0,1,0,0|2,0,0]=4 588 B9R1.1 [13CH3]Oc1ccc(=O)[nH]c1 34a_100000075641_200025704644 [0,1,0,1,0,0|2,0,0]=4 589 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_100000212171_200025704644 [0,1,0,1,0,0|2,0,0]=4 590 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_200025704644_100000212171 [0,1,0,1,0,0|2,0,0]=4 591 B9R1.1 [13CH3]Sc1ccc(=O)[nH]n1 62a_100009820020_200025704644 [0,1,0,1,0,0|2,0,0]=4 592 B9R1.1 [13CH3]Sc1ccc(=O)[nH]n1 62a_200025704644_100009820020 [0,1,0,1,0,0|2,0,0]=4 593 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [0,1,0,1,0,0|2,0,0]=4 594 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_100000685995_200025704644 [0,1,0,1,0,0|2,0,0]=4 595 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_200025704644_100000744096 [0,1,0,1,0,0|2,0,0]=4 596 B9R1.2 C=Cc1cc(ccn1)O 271570a_100011290941_100000762945 [0,1,0,1,0,0|1,0,1]=4 597 B9R1.2 C=Cc1cc[nH]c(=O)c1 271570a_100011290941_100009816521 [0,1,0,1,0,0|1,0,1]=4 598 B9R1.2 C=Cc1cc[nH]c(=O)n1 271570a_100011290941_200000134032 [0,1,0,1,0,0|1,0,1]=4 599 B9R1.2 C=Cc1cccc(=O)[nH]1 271570a_100011290941_100000761760 [0,1,0,1,0,0|1,0,1]=4 600 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [0,1,0,1,0,0|2,0,0]=4 601 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [0,1,0,1,0,0|1,0,1]=4 602 B9R1.2 C=Cc1cccc(n1)C 271570a_100011290941_100000742759 [0,1,0,1,0,0|2,0,0]=4 603 B9R1.2 C=Cc1cncc(c1)O 271570a_100011290941_100000754920 [0,1,0,1,0,0|1,0,1]=4 604 B9R1.2 C=Cc1cncc(n1)O 271570a_100011290941_100011269956 [0,1,0,1,0,0|1,0,1]=4 605 B9R1.2 C=Cc1nccc(n1)O 271570a_100011290941_100011649813 [0,1,0,1,0,0|1,0,1]=4 606 B9R1.2 CCc1cc(ccn1)O 271570a_203496583355_100009820011 [0,1,0,1,0,0|1,0,1]=4 607 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [0,1,0,1,0,0|1,0,0]=3 608 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [0,1,0,1,0,0|1,0,0]=3 609 B9R1.2 CCc1ccnc(c1)O 271570a_203496583355_100009817561 [0,1,0,1,0,0|1,0,1]=4 610 B9R1.2 CCc1ccnc(n1)O 271570a_203496583355_100000100215 [0,1,0,1,0,0|1,0,1]=4 611 B9R1.2 CCc1cncc(c1)O 271570a_203496583355_200009819073 [0,1,0,1,0,0|1,0,1]=4 612 B9R1.2 CNc1cc(ccn1)O 271570a_203496583355_100009819592 [0,1,0,1,0,0|2,0,0]=4 613 B9R1.2 CNc1cc[nH]c(=O)c1 27a_100102657272_100000061649 [0,1,0,1,0,0|2,0,0]=4 614 B9R1.2 CNc1cc[nH]c(=O)n1 27a_100102657272_200000134032 [0,1,0,1,0,0|2,0,0]=4 615 B9R1.2 CNc1cccc(c1)Br 34a_100000210019_200000210301 [0,1,0,1,0,0|2,0,0]=4 616 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [0,1,0,1,0,0|2,0,0]=4 617 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [0,1,0,1,0,0|2,0,0]=4 618 B9R1.2 CNc1cccc(c1)Cl 34a_100000185859_200000210301 [0,1,0,1,0,0|2,0,0]=4 619 B9R1.2 CNc1cccc(c1)F 34a_100000210047_200000210301 [0,1,0,1,0,0|2,0,0]=4 620 B9R1.2 CNc1cccc(c1)I 34a_100000211102_200000210301 [0,1,0,1,0,0|2,0,0]=4 621 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [0,1,0,1,0,0|1,0,0]=3 622 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [0,1,0,1,0,0|1,0,0]=3 623 B9R1.2 CNc1cccc(n1)F 27a_100102657272_100009815982 [0,1,0,1,0,0|2,0,0]=4 624 B9R1.2 CNc1cccc(n1)O 271570a_203496583355_100000703281 [0,1,0,1,0,0|1,0,0]=3 625 B9R1.2 CNc1ccnc(c1)O 271570a_203496583355_100009869472 [0,1,0,1,0,0|2,0,0]=4 626 B9R1.2 CNc1ccnc(n1)O 271570a_203496583355_100011649947 [0,1,0,1,0,0|2,0,0]=4 627 B9R1.2 CNc1cncc(c1)O 271570a_203496583355_100012184536 [0,1,0,1,0,0|2,0,0]=4 628 B9R1.2 CNc1cncc(n1)O 271570a_203496583355_100011529438 [0,1,0,1,0,0|2,0,0]=4 629 B9R1.2 CNc1nccc(n1)O 271570a_203496583355_100012000420 [0,1,0,1,0,0|2,0,0]=4 630 B9R1.2 CNc1nccc(n1)O 27a_100102657272_100011649813 [0,1,0,1,0,0|2,0,0]=4 631 B9R1.2 COc1cc(ccn1)O 271570a_203496583355_100000117307 [0,1,0,1,0,0|2,0,0]=4 632 B9R1.2 COc1cc[nH]c(=O)c1 34a_100000032262_200000210301 [0,1,0,1,0,0|2,0,0]=4 633 B9R1.2 COc1cccc(=O)[nH]1 34a_100000033347_200000210301 [0,1,0,1,0,0|1,0,0]=3 634 B9R1.2 COc1cccc(c1)Br 34a_100000210342_200000210301 [0,1,0,1,0,0|2,0,0]=4 635 B9R1.2 COc1cccc(c1)Br 7a_100000210342_200000210301 [0,1,0,1,0,0|2,0,0]=4 636 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [0,1,0,1,0,0|1,0,0]=3 637 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [0,1,0,1,0,0|1,0,0]=3 638 B9R1.2 COc1cccc(c1)Cl 34a_100000210295_200000210301 [0,1,0,1,0,0|2,0,0]=4 639 B9R1.2 COc1cccc(c1)Cl 7a_100000210295_200000210301 [0,1,0,1,0,0|2,0,0]=4 640 B9R1.2 COc1cccc(c1)F 34a_100000210426_200000210301 [0,1,0,1,0,0|2,0,0]=4 641 B9R1.2 COc1cccc(c1)F 7a_100000210426_200000210301 [0,1,0,1,0,0|2,0,0]=4 642 B9R1.2 COc1cccc(c1)I 34a_100000211634_200000210301 [0,1,0,1,0,0|2,0,0]=4 643 B9R1.2 COc1cccc(c1)I 7a_100000211634_200000210301 [0,1,0,1,0,0|2,0,0]=4 644 B9R1.2 COc1cccc(c1)N 34a_100000210217_200000210301 [0,1,0,1,0,0|2,0,0]=4 645 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [0,1,0,1,0,0|1,0,0]=3 646 B9R1.2 COc1cccc(n1)F 34a_100011432558_200000210301 [0,1,0,1,0,0|2,0,0]=4 647 B9R1.2 COc1cccc(n1)O 271570a_203496583355_100000760917 [0,1,0,1,0,0|1,0,0]=3 648 B9R1.2 COc1ccnc(c1)C 34a_100000688365_200000210301 [0,1,0,1,0,0|2,0,0]=4 649 B9R1.2 COc1ccnc(c1)O 271570a_203496583355_100011216251 [0,1,0,1,0,0|2,0,0]=4 650 B9R1.2 COc1ccnc(n1)O 271570a_203496583355_100000182009 [0,1,0,1,0,0|2,0,0]=4 651 B9R1.2 COc1cncc(c1)C 34a_100011830280_200000210301 [0,1,0,1,0,0|2,0,0]=4 652 B9R1.2 COc1cncc(c1)C 7a_100011830280_200000210301 [0,1,0,1,0,0|2,0,0]=4 653 B9R1.2 COc1cncc(c1)O 271570a_203496583355_100000684773 [0,1,0,1,0,0|2,0,0]=4 654 B9R1.2 COc1cncc(n1)O 271570a_203496583355_100000756030 [0,1,0,1,0,0|2,0,0]=4 655 B9R1.2 COc1nccc(n1)O 271570a_203496583355_100000069072 [0,1,0,1,0,0|2,0,0]=4 656 B9R1.2 CSc1cc(=O)cc[nH]1 62a_100009817434_200000210301 [0,1,0,1,0,0|2,0,0]=4 657 B9R1.2 CSc1cc(ccn1)O 62a_200000210301_100000762945 [0,1,0,1,0,0|2,0,0]=4 658 B9R1.2 CSc1cc[nH]c(=O)c1 62a_100009816521_200000210301 [0,1,0,1,0,0|2,0,0]=4 659 B9R1.2 CSc1cc[nH]c(=O)c1 62a_200000210301_100009816521 [0,1,0,1,0,0|2,0,0]=4 660 B9R1.2 CSc1cc[nH]c(=O)n1 62a_200000210301_200000134032 [0,1,0,1,0,0|2,0,0]=4 661 B9R1.2 CSc1cccc(=O)[nH]1 62a_200000210301_100000752884 [0,1,0,1,0,0|1,0,0]=3 662 B9R1.2 CSc1cccc(c1)Br 62a_100000691529_200000210301 [0,1,0,1,0,0|2,0,0]=4 663 B9R1.2 CSc1cccc(c1)Br 62a_200000210301_100000691529 [0,1,0,1,0,0|2,0,0]=4 664 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [0,1,0,1,0,0|1,1,0]=4 665 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [0,1,0,1,0,0|1,1,0]=4 666 B9R1.2 CSc1cccc(c1)Cl 62a_100000699651_200000210301 [0,1,0,1,0,0|2,0,0]=4 667 B9R1.2 CSc1cccc(c1)Cl 62a_200000210301_100000699651 [0,1,0,1,0,0|2,0,0]=4 668 B9R1.2 CSc1cccc(c1)F 62a_100000685547_200000210301 [0,1,0,1,0,0|2,0,0]=4 669 B9R1.2 CSc1cccc(c1)F 62a_200000210301_100000685547 [0,1,0,1,0,0|2,0,0]=4 670 B9R1.2 CSc1cccc(c1)N 62a_100000210019_200000210301 [0,1,0,1,0,0|2,0,0]=4 671 B9R1.2 CSc1cccc(c1)N 62a_200000210301_100000210019 [0,1,0,1,0,0|2,0,0]=4 672 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [0,1,0,1,0,0|1,0,0]=3 673 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [0,1,0,1,0,0|1,0,0]=3 674 B9R1.2 CSc1cccc(c1)[S] 62a_114929384022_200000210301 [0,1,0,1,0,0|1,1,0]=4 675 B9R1.2 CSc1cccc(c1)[S] 62a_200000210301_114929384022 [0,1,0,1,0,0|1,1,0]=4 676 B9R1.2 CSc1cccc(n1)Br 62a_100000684672_200000210301 [0,1,0,1,0,0|2,0,0]=4 677 B9R1.2 CSc1cccc(n1)Br 62a_200000210301_100000684672 [0,1,0,1,0,0|2,0,0]=4 678 B9R1.2 CSc1cccc(n1)C 62a_100000742759_200000210301 [0,1,0,1,0,0|1,1,0]=4 679 B9R1.2 CSc1cccc(n1)C 62a_200000210301_100000742759 [0,1,0,1,0,0|1,1,0]=4 680 B9R1.2 CSc1cccc(n1)Cl 62a_100000051397_200000210301 [0,1,0,1,0,0|2,0,0]=4 681 B9R1.2 CSc1cccc(n1)Cl 62a_200000210301_100000051397 [0,1,0,1,0,0|2,0,0]=4 682 B9R1.2 CSc1cccc(n1)F 62a_100009815982_200000210301 [0,1,0,1,0,0|2,0,0]=4 683 B9R1.2 CSc1cccc(n1)F 62a_200000210301_100009815982 [0,1,0,1,0,0|2,0,0]=4 684 B9R1.2 CSc1cccc(n1)N 62a_100000740741_200000210301 [0,1,0,1,0,0|2,0,0]=4 685 B9R1.2 CSc1cccc(n1)N 62a_200000210301_100000740741 [0,1,0,1,0,0|2,0,0]=4 686 B9R1.2 CSc1cccc(n1)O 271570a_203496583355_100011960944 [0,1,0,1,0,0|1,0,0]=3 687 B9R1.2 CSc1ccnc(c1)O 271570a_203496583355_100010883326 [0,1,0,1,0,0|2,0,0]=4 688 B9R1.2 CSc1ccnc(n1)O 271570a_203496583355_100011650323 [0,1,0,1,0,0|2,0,0]=4 689 B9R1.2 CSc1cncc(c1)O 271570a_203496583355_100009816972 [0,1,0,1,0,0|2,0,0]=4 690 B9R1.2 CSc1cncc(c1)O 62a_100000754920_200000210301 [0,1,0,1,0,0|2,0,0]=4 691 B9R1.2 CSc1cncc(c1)O 62a_200000210301_100000754920 [0,1,0,1,0,0|2,0,0]=4 692 B9R1.2 CSc1cncc(n1)O 62a_200000210301_100011269956 [0,1,0,1,0,0|2,0,0]=4 693 B9R1.2 CSc1nccc(n1)O 271570a_203496583355_100000032126 [0,1,0,1,0,0|2,0,0]=4 694 B9R1.2 CSc1nccc(n1)O 62a_200000210301_100011649813 [0,1,0,1,0,0|2,0,0]=4 695 B9R1.2 Cc1cc(ccn1)O[13CH3] 34a_100000688365_200025704644 [0,1,0,1,0,0|2,0,0]=4 696 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [0,1,0,1,0,0|2,0,0]=4 697 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [0,1,0,1,0,0|2,0,0]=4 698 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [0,1,0,1,0,0|1,0,0]=3 699 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [0,1,0,1,0,0|1,0,0]=3 700 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [0,1,0,1,0,0|1,1,0]=4 701 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [0,1,0,1,0,0|1,1,0]=4 702 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_100000742759_200025704644 [0,1,0,1,0,0|1,1,0]=4 703 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_200025704644_100000742759 [0,1,0,1,0,0|1,1,0]=4 704 B9R1.2 Cc1cncc(c1)O[13CH3] 34a_100011830280_200025704644 [0,1,0,1,0,0|2,0,0]=4 705 B9R1.2 Cc1cncc(c1)O[13CH3] 7a_100011830280_200025704644 [0,1,0,1,0,0|2,0,0]=4 706 B9R1.2 N#Cc1cccc(c1)O 271570a_203496583355_100000189340 [0,1,0,1,0,0|1,0,1]=4 707 B9R1.2 N#Cc1cccc(n1)O 271570a_203496583355_100011934037 [0,1,0,1,0,0|1,0,1]=4 708 B9R1.2 NCc1cc(ccn1)O 271570a_203496583355_100000085674 [0,1,0,1,0,0|2,0,0]=4 709 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [0,1,0,1,0,0|1,0,0]=3 710 B9R1.2 NCc1cccc(n1)O 271570a_203496583355_100016990191 [0,1,0,1,0,0|1,0,0]=3 711 B9R1.2 NCc1cncc(c1)O 271570a_203496583355_100011249555 [0,1,0,1,0,0|2,0,0]=4 712 B9R1.2 NNc1cccc(c1)O 271570a_203496583355_100000217339 [0,1,0,1,0,0|2,0,0]=4 713 B9R1.2 NNc1cccc(n1)O 271570a_203496583355_100009817029 [0,1,0,1,0,0|2,0,0]=4 714 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [0,1,0,1,0,0|2,0,0]=4 715 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [0,1,0,1,0,0|1,0,1]=4 716 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [0,1,0,1,0,0|1,0,1]=4 717 B9R1.2 O=Cc1ccnc(c1)O 271570a_203496583355_100011290808 [0,1,0,1,0,0|2,0,0]=4 718 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [0,1,0,1,0,0|2,0,0]=4 719 B9R1.2 OCc1cc(ccn1)O 271570a_203496583355_100009819072 [0,1,0,1,0,0|2,0,0]=4 720 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [0,1,0,1,0,0|1,0,0]=3 721 B9R1.2 OCc1cccc(n1)O 271570a_203496583355_100000694195 [0,1,0,1,0,0|1,0,0]=3 722 B9R1.2 OCc1ccnc(c1)O 271570a_203496583355_100009814636 [0,1,0,1,0,0|2,0,0]=4 723 B9R1.2 OCc1cncc(c1)O 271570a_203496583355_100011259137 [0,1,0,1,0,0|2,0,0]=4 724 B9R1.2 OCc1cncc(n1)O 271570a_203496583355_100009853123 [0,1,0,1,0,0|2,0,0]=4 725 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [0,1,0,1,0,0|1,0,0]=3 726 B9R1.2 [13CH3]Nc1cccc(c1)Br 34a_100000210019_200025704644 [0,1,0,1,0,0|2,0,0]=4 727 B9R1.2 [13CH3]Nc1cccc(c1)Cl 34a_100000185859_200025704644 [0,1,0,1,0,0|2,0,0]=4 728 B9R1.2 [13CH3]Nc1cccc(c1)F 34a_100000210047_200025704644 [0,1,0,1,0,0|2,0,0]=4 729 B9R1.2 [13CH3]Nc1cccc(c1)I 34a_100000211102_200025704644 [0,1,0,1,0,0|2,0,0]=4 730 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [0,1,0,1,0,0|1,0,0]=3 731 B9R1.2 [13CH3]Oc1cc[nH]c(=O)c1 34a_100000032262_200025704644 [0,1,0,1,0,0|2,0,0]=4 732 B9R1.2 [13CH3]Oc1cccc(=O)[nH]1 34a_100000033347_200025704644 [0,1,0,1,0,0|1,0,0]=3 733 B9R1.2 [13CH3]Oc1cccc(c1)Br 34a_100000210342_200025704644 [0,1,0,1,0,0|2,0,0]=4 734 B9R1.2 [13CH3]Oc1cccc(c1)Br 7a_100000210342_200025704644 [0,1,0,1,0,0|2,0,0]=4 735 B9R1.2 [13CH3]Oc1cccc(c1)Cl 34a_100000210295_200025704644 [0,1,0,1,0,0|2,0,0]=4 736 B9R1.2 [13CH3]Oc1cccc(c1)Cl 7a_100000210295_200025704644 [0,1,0,1,0,0|2,0,0]=4 737 B9R1.2 [13CH3]Oc1cccc(c1)F 34a_100000210426_200025704644 [0,1,0,1,0,0|2,0,0]=4 738 B9R1.2 [13CH3]Oc1cccc(c1)F 7a_100000210426_200025704644 [0,1,0,1,0,0|2,0,0]=4 739 B9R1.2 [13CH3]Oc1cccc(c1)I 34a_100000211634_200025704644 [0,1,0,1,0,0|2,0,0]=4 740 B9R1.2 [13CH3]Oc1cccc(c1)I 7a_100000211634_200025704644 [0,1,0,1,0,0|2,0,0]=4 741 B9R1.2 [13CH3]Oc1cccc(c1)N 34a_100000210217_200025704644 [0,1,0,1,0,0|2,0,0]=4 742 B9R1.2 [13CH3]Oc1cccc(n1)F 34a_100011432558_200025704644 [0,1,0,1,0,0|2,0,0]=4 743 B9R1.2 [13CH3]Sc1cc(=O)cc[nH]1 62a_100009817434_200025704644 [0,1,0,1,0,0|2,0,0]=4 744 B9R1.2 [13CH3]Sc1cc(ccn1)O 62a_200025704644_100000762945 [0,1,0,1,0,0|2,0,0]=4 745 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_100009816521_200025704644 [0,1,0,1,0,0|2,0,0]=4 746 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_200025704644_100009816521 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.2 [13CH3]Sc1cc[nH]c(=O)n1 62a_200025704644_200000134032 [0,1,0,1,0,0|2,0,0]=4 748 B9R1.2 [13CH3]Sc1cccc(=O)[nH]1 62a_200025704644_100000752884 [0,1,0,1,0,0|1,0,0]=3 749 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_100000691529_200025704644 [0,1,0,1,0,0|2,0,0]=4 750 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_200025704644_100000691529 [0,1,0,1,0,0|2,0,0]=4 751 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_100000699651_200025704644 [0,1,0,1,0,0|2,0,0]=4 752 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_200025704644_100000699651 [0,1,0,1,0,0|2,0,0]=4 753 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_100000685547_200025704644 [0,1,0,1,0,0|2,0,0]=4 754 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_200025704644_100000685547 [0,1,0,1,0,0|2,0,0]=4 755 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_100000210019_200025704644 [0,1,0,1,0,0|2,0,0]=4 756 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_200025704644_100000210019 [0,1,0,1,0,0|2,0,0]=4 757 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [0,1,0,1,0,0|1,0,0]=3 758 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_114929384022_200025704644 [0,1,0,1,0,0|1,1,0]=4 759 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_200025704644_114929384022 [0,1,0,1,0,0|1,1,0]=4 760 B9R1.2 [13CH3]Sc1cccc(n1)Br 62a_100000684672_200025704644 [0,1,0,1,0,0|2,0,0]=4 761 B9R1.2 [13CH3]Sc1cccc(n1)Br 62a_200025704644_100000684672 [0,1,0,1,0,0|2,0,0]=4 762 B9R1.2 [13CH3]Sc1cccc(n1)Cl 62a_100000051397_200025704644 [0,1,0,1,0,0|2,0,0]=4 763 B9R1.2 [13CH3]Sc1cccc(n1)Cl 62a_200025704644_100000051397 [0,1,0,1,0,0|2,0,0]=4 764 B9R1.2 [13CH3]Sc1cccc(n1)F 62a_100009815982_200025704644 [0,1,0,1,0,0|2,0,0]=4 765 B9R1.2 [13CH3]Sc1cccc(n1)F 62a_200025704644_100009815982 [0,1,0,1,0,0|2,0,0]=4 766 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_100000740741_200025704644 [0,1,0,1,0,0|2,0,0]=4 767 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_200025704644_100000740741 [0,1,0,1,0,0|2,0,0]=4 768 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_100000754920_200025704644 [0,1,0,1,0,0|2,0,0]=4 769 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_200025704644_100000754920 [0,1,0,1,0,0|2,0,0]=4 770 B9R1.2 [13CH3]Sc1cncc(n1)O 62a_200025704644_100011269956 [0,1,0,1,0,0|2,0,0]=4 771 B9R1.2 [13CH3]Sc1nccc(n1)O 62a_200025704644_100011649813 [0,1,0,1,0,0|2,0,0]=4 772 B9R1.3 Cc1c(cccc1Br)O 271570a_203496583355_100012353703 [0,1,0,1,0,0|2,0,0]=4 773 B9R1.3 Cc1c(cccc1Cl)O 271570a_203496583355_100000726075 [0,1,0,1,0,0|2,0,0]=4 774 B9R1.3 Cc1c(cccc1F)O 271570a_203496583355_100011216893 [0,1,0,1,0,0|2,0,0]=4 775 B9R1.3 Cc1c(cccc1O)N 271570a_203496583355_100000761887 [0,1,0,1,0,0|2,0,0]=4 776 B9R1.3 Cc1c(cccc1O)O 271570a_203496583355_100012002258 [0,1,0,1,0,0|2,0,0]=4 777 B9R1.3 Cc1ccc[n+](c1O)[O-] 271570a_203496583355_100116209805 [0,1,0,1,0,0|1,0,1]=4 778 B9R1.3 Cc1cccc(c1C)O 271570a_203496583355_100011214922 [0,1,0,1,0,0|1,0,0]=3 779 B9R1.3 Cc1cccc(c1Cl)O 271570a_203496583355_200012352035 [0,1,0,1,0,0|1,0,0]=3 780 B9R1.3 Cc1cccc(c1F)O 271570a_203496583355_100000717567 [0,1,0,1,0,0|1,0,0]=3 781 B9R1.3 Cc1cccc(c1N)O 271570a_203496583355_100011834072 [0,1,0,1,0,0|1,0,0]=3 782 B9R1.3 Cc1cccc(c1O)C 271570a_203496583355_100000033847 [0,1,0,1,0,0|1,0,0]=3 783 B9R1.3 Cc1cccc(c1O)Cl 271570a_203496583355_100000043165 [0,1,0,1,0,0|1,0,0]=3 784 B9R1.3 Cc1cccc(c1O)F 271570a_203496583355_100012349962 [0,1,0,1,0,0|1,0,0]=3 785 B9R1.3 Cc1cccc(c1O)N 271570a_203496583355_100000684715 [0,1,0,1,0,0|1,0,0]=3 786 B9R1.3 Cc1cccc(c1O)O 271570a_203496583355_100000686692 [0,1,0,1,0,0|0,0,1]=3 787 B9R1.3 Cc1cccc(c1O)O 271570a_203496583355_100009817157 [0,1,0,1,0,0|0,0,1]=3 788 B9R1.3 Cc1ccnc(c1C)O 271570a_203496583355_100009847204 [0,1,0,1,0,0|2,0,0]=4 789 B9R1.3 Cc1ccnc(c1F)O 271570a_203496583355_100009817629 [0,1,0,1,0,0|2,0,0]=4 790 B9R1.3 Cc1ccnc(c1N)O 271570a_203496583355_100000763560 [0,1,0,1,0,0|2,0,0]=4 791 B9R1.3 Cc1ccnc(c1O)C 271570a_203496583355_100012000501 [0,1,0,1,0,0|2,0,0]=4 792 B9R1.3 Cc1ccnc(c1O)F 271570a_203496583355_100009818256 [0,1,0,1,0,0|2,0,0]=4 793 B9R1.3 Cc1ccnc(c1O)N 271570a_203496583355_100011998619 [0,1,0,1,0,0|2,0,0]=4 794 B9R1.3 Cc1ccnc(c1O)O 271570a_203496583355_100000696282 [0,1,0,1,0,0|1,0,1]=4 795 B9R1.3 Cc1ccnc(c1O)O 271570a_203496583355_100012000493 [0,1,0,1,0,0|1,0,1]=4 796 B9R1.3 Cc1cncc(c1C)O 271570a_203496583355_100009864703 [0,1,0,1,0,0|2,0,0]=4 797 B9R1.3 Cc1cncc(c1N)O 271570a_203496583355_100009818025 [0,1,0,1,0,0|2,0,0]=4 798 B9R1.3 Cc1cncc(c1O)C 271570a_203496583355_100009817138 [0,1,0,1,0,0|2,0,0]=4 799 B9R1.3 Cc1nc[nH]c(=O)c1O 271570a_203496583355_100011356812 [0,1,0,1,0,0|2,0,0]=4 800 B9R1.3 Cc1nccc(c1C)O 271570a_203496583355_100009846815 [0,1,0,1,0,0|2,0,0]=4 801 B9R1.3 Cc1nccc(c1Cl)O 271570a_203496583355_100000698670 [0,1,0,1,0,0|2,0,0]=4 802 B9R1.3 Cc1nccc(c1F)O 271570a_203496583355_100009849794 [0,1,0,1,0,0|2,0,0]=4 803 B9R1.3 Cc1nccc(c1N)O 271570a_203496583355_100009885578 [0,1,0,1,0,0|2,0,0]=4 804 B9R1.3 Cc1nccc(c1O)N 271570a_203496583355_100010243816 [0,1,0,1,0,0|2,0,0]=4 805 B9R1.3 Cn1c(cccc1=O)O 271570a_203496583355_100000726605 [0,1,0,1,0,0|2,0,0]=4 806 B9R1.3 Cn1cccc(c1=O)O 271570a_203496583355_100000687173 [0,1,0,1,0,0|1,0,0]=3 807 B9R1.3 Nc1c(cccc1Br)O 271570a_203496583355_100010146558 [0,1,0,1,0,0|2,0,0]=4 808 B9R1.3 Nc1c(cccc1Cl)O 271570a_203496583355_100010190421 [0,1,0,1,0,0|2,0,0]=4 809 B9R1.3 Nc1c(cccc1F)O 271570a_203496583355_100000042321 [0,1,0,1,0,0|2,0,0]=4 810 B9R1.3 Nc1c(cccc1O)O 271570a_203496583355_100011934926 [0,1,0,1,0,0|2,0,0]=4 811 B9R1.3 Nc1cccc(c1F)O 271570a_203496583355_100011935091 [0,1,0,1,0,0|2,0,0]=4 812 B9R1.3 Nc1cccc(c1N)O 271570a_203496583355_100015191791 [0,1,0,1,0,0|2,0,0]=4 813 B9R1.3 Nc1cccc(c1O)Br 271570a_203496583355_100020590159 [0,1,0,1,0,0|2,0,0]=4 814 B9R1.3 Nc1cccc(c1O)Cl 271570a_203496583355_100000049713 [0,1,0,1,0,0|2,0,0]=4 815 B9R1.3 Nc1cccc(c1O)F 271570a_203496583355_100011934729 [0,1,0,1,0,0|2,0,0]=4 816 B9R1.3 Nc1cccc(c1O)O 271570a_203496583355_100011934915 [0,1,0,1,0,0|1,0,1]=4 817 B9R1.3 Nc1cccc(c1O)O 271570a_203496583355_100012183704 [0,1,0,1,0,0|1,0,1]=4 818 B9R1.3 Oc1c(cccc1Br)Br 271570a_203496583355_100009994525 [0,1,0,1,0,0|2,0,0]=4 819 B9R1.3 Oc1c(cccc1Br)Cl 271570a_203496583355_100010214488 [0,1,0,1,0,0|2,0,0]=4 820 B9R1.3 Oc1c(cccc1Br)F 271570a_203496583355_100011219512 [0,1,0,1,0,0|2,0,0]=4 821 B9R1.3 Oc1c(cccc1Cl)Cl 271570a_203496583355_100000034237 [0,1,0,1,0,0|2,0,0]=4 822 B9R1.3 Oc1c(cccc1Cl)F 271570a_203496583355_100000050007 [0,1,0,1,0,0|2,0,0]=4 823 B9R1.3 Oc1c(cccc1F)F 271570a_203496583355_100000693133 [0,1,0,1,0,0|2,0,0]=4 824 B9R1.3 Oc1cccc(c1Br)O 271570a_203496583355_100010187914 [0,1,0,1,0,0|2,0,0]=4 825 B9R1.3 Oc1cccc(c1Cl)Br 271570a_203496583355_100010142854 [0,1,0,1,0,0|2,0,0]=4 826 B9R1.3 Oc1cccc(c1Cl)Cl 271570a_203496583355_100011215384 [0,1,0,1,0,0|2,0,0]=4 827 B9R1.3 Oc1cccc(c1Cl)F 271570a_203496583355_200010234923 [0,1,0,1,0,0|2,0,0]=4 828 B9R1.3 Oc1cccc(c1Cl)O 271570a_203496583355_100000049636 [0,1,0,1,0,0|2,0,0]=4 829 B9R1.3 Oc1cccc(c1F)Br 271570a_203496583355_100000702267 [0,1,0,1,0,0|2,0,0]=4 830 B9R1.3 Oc1cccc(c1F)Cl 271570a_203496583355_100011217346 [0,1,0,1,0,0|2,0,0]=4 831 B9R1.3 Oc1cccc(c1F)F 271570a_203496583355_100000694657 [0,1,0,1,0,0|2,0,0]=4 832 B9R1.3 Oc1cccc(c1F)O 271570a_203496583355_100009817021 [0,1,0,1,0,0|2,0,0]=4 833 B9R1.3 Oc1cccc(c1O)Br 271570a_203496583355_100010084509 [0,1,0,1,0,0|1,0,1]=4 834 B9R1.3 Oc1cccc(c1O)Br 271570a_203496583355_100010187912 [0,1,0,1,0,0|1,0,1]=4 835 B9R1.3 Oc1cccc(c1O)Cl 271570a_203496583355_100000050174 [0,1,0,1,0,0|1,0,1]=4 836 B9R1.3 Oc1cccc(c1O)Cl 271570a_203496583355_100010202889 [0,1,0,1,0,0|1,0,1]=4 837 B9R1.3 Oc1cccc(c1O)F 271570a_203496583355_100009813666 [0,1,0,1,0,0|1,0,1]=4 838 B9R1.3 Oc1cccc(c1O)F 271570a_203496583355_100009820682 [0,1,0,1,0,0|1,0,1]=4 839 B9R1.3 Oc1cccc(c1O)O 271570a_203496583355_100009815950 [0,1,0,1,0,0|1,0,1]=4 840 B9R1.3 Oc1cccc(c1O)O 271570a_203496583355_100010205330 [0,1,0,1,0,0|1,0,1]=4 841 B9R1.11 O=C(CO)N1CC=CC1 240690a_100015195280_100000210174 [0,1,0,1,0,0|1,0,1]=4 842 B9R1.21 C=Cc1ccc(o1)C#N 271570a_100011290941_100000764468 [0,1,0,1,0,0|1,0,1]=4 843 B9R1.21 C=Cc1ccc(o1)C=O 271570a_100011290941_100000185145 [0,1,0,1,0,0|0,0,1]=3 844 B9R1.21 C=Cc1ccc(o1)CN 271570a_100011290941_100000708654 [0,1,0,1,0,0|1,0,1]=4 845 B9R1.21 C=Cc1ccc(o1)CO 271570a_100011290941_100000246276 [0,1,0,1,0,0|0,0,2]=4 846 B9R1.21 C=Cc1ccc(s1)C=O 271570a_100011290941_100000179771 [0,1,0,1,0,0|0,1,1]=4 847 B9R1.21 C=Cc1ccc(s1)CO 271570a_100011290941_100000246291 [0,1,0,1,0,0|0,1,1]=4 848 B9R1.21 CSc1ccc([nH]1)C=O 62a_200000210301_100009875417 [0,1,0,1,0,0|2,0,0]=4 849 B9R1.21 CSc1ccc(o1)C#N 62a_200000210301_100000764468 [0,1,0,1,0,0|2,0,0]=4 850 B9R1.21 CSc1ccc(o1)C=O 62a_200000210301_100000186757 [0,1,0,1,0,0|1,0,0]=3 851 B9R1.21 CSc1ccc(o1)CN 62a_200000210301_100000708654 [0,1,0,1,0,0|2,0,0]=4 852 B9R1.21 CSc1ccc(o1)CO 62a_100000246276_200000210301 [0,1,0,1,0,0|1,0,1]=4 853 B9R1.21 CSc1ccc(o1)CO 62a_200000210301_100000246276 [0,1,0,1,0,0|1,0,1]=4 854 B9R1.21 CSc1ccc(s1)C=O 62a_100000179771_200000210301 [0,1,0,1,0,0|1,1,0]=4 855 B9R1.21 CSc1ccc(s1)C=O 62a_200000210301_100000179771 [0,1,0,1,0,0|1,1,0]=4 856 B9R1.21 CSc1ccc(s1)CO 62a_100000246291_200000210301 [0,1,0,1,0,0|1,1,0]=4 857 B9R1.21 CSc1ccc(s1)CO 62a_200000210301_100000246291 [0,1,0,1,0,0|1,1,0]=4 858 B9R1.21 [13CH3]Sc1ccc([nH]1)C=O 62a_200025704644_100009875417 [0,1,0,1,0,0|2,0,0]=4 859 B9R1.21 [13CH3]Sc1ccc(o1)C#N 62a_200025704644_100000764468 [0,1,0,1,0,0|2,0,0]=4 860 B9R1.21 [13CH3]Sc1ccc(o1)C=O 62a_200025704644_100000186757 [0,1,0,1,0,0|1,0,0]=3 861 B9R1.21 [13CH3]Sc1ccc(o1)CN 62a_200025704644_100000708654 [0,1,0,1,0,0|2,0,0]=4 862 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_100000246276_200025704644 [0,1,0,1,0,0|1,0,1]=4 863 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_200025704644_100000246276 [0,1,0,1,0,0|1,0,1]=4 864 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_100000179771_200025704644 [0,1,0,1,0,0|1,1,0]=4 865 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_200025704644_100000179771 [0,1,0,1,0,0|1,1,0]=4 866 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_100000246291_200025704644 [0,1,0,1,0,0|1,1,0]=4 867 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_200025704644_100000246291 [0,1,0,1,0,0|1,1,0]=4 868 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,1,0,1,0,0|1,0,1]=4 869 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,1,0,1,0,0|1,0,1]=4 870 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200009893386_200025704644 [0,1,0,1,0,0|1,0,1]=4 871 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200025704644_200009893386 [0,1,0,1,0,0|1,0,1]=4 872 B9R1.23 CNC1C=C(C(=O)O1)C 2230a_106832991635_200009893386 [0,1,0,1,0,0|1,0,1]=4 873 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200000210301_200009893386 [0,1,0,1,0,0|1,0,1]=4 874 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200009893386_200000210301 [0,1,0,1,0,0|1,0,1]=4 875 B9R1.23 Cc1cc(sc1O)C=O 271570a_203496583355_100000761930 [0,1,0,1,0,0|1,1,0]=4 876 B9R1.35 C=C(C)c1ccc(s1)Br 271570a_100000694244_100010197418 [0,1,0,1,0,0|1,1,0]=4 877 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [0,1,0,1,0,0|1,1,0]=4 878 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,1,0,1,0,0|2,0,0]=4 879 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,1,0,1,0,0|1,0,0]=3 880 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,1,0,1,0,0|0,0,1]=3 881 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,1,0,1,0,0|0,1,0]=3 882 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [0,1,0,1,0,0|1,1,0]=4 883 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,1,0,1,0,0|2,0,0]=4 884 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [0,1,0,1,0,0|2,0,0]=4 885 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [0,1,0,1,0,0|1,1,0]=4 886 B9R1.35 CC(N)c1ccc(s1)O 271570a_203496583355_100102723530 [0,1,0,1,0,0|0,1,1]=4 887 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [0,1,0,1,0,0|2,0,0]=4 888 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,1,0,1,0,0|2,0,0]=4 889 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [0,1,0,1,0,0|2,0,0]=4 890 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,1,0,1,0,0|1,1,0]=4 891 B9R1.69 Cc1c[nH]c(=O)c(n1)O 271570a_203496583355_100009858157 [0,1,0,1,0,0|2,0,0]=4 892 B9R1.69 Cc1cc(c(cn1)C)O 271570a_203496583355_100009862788 [0,1,0,1,0,0|2,0,0]=4 893 B9R1.69 Cc1cc(c(cn1)F)O 271570a_203496583355_100009867690 [0,1,0,1,0,0|2,0,0]=4 894 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100009843476 [0,1,0,1,0,0|2,0,0]=4 895 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100011016184 [0,1,0,1,0,0|2,0,0]=4 896 B9R1.69 Cc1cc(ccc1Br)O 271570a_203496583355_100009813585 [0,1,0,1,0,0|1,0,0]=3 897 B9R1.69 Cc1cc(ccc1Cl)O 271570a_203496583355_100000049509 [0,1,0,1,0,0|1,0,0]=3 898 B9R1.69 Cc1cc(ccc1F)O 271570a_203496583355_100011218330 [0,1,0,1,0,0|1,0,0]=3 899 B9R1.69 Cc1cc(ccc1N)O 271570a_203496583355_100000211769 [0,1,0,1,0,0|1,0,0]=3 900 B9R1.69 Cc1cc(ccc1O)Br 271570a_203496583355_100000701812 [0,1,0,1,0,0|2,0,0]=4 901 B9R1.69 Cc1cc(ccc1O)Cl 271570a_203496583355_100011219607 [0,1,0,1,0,0|2,0,0]=4 902 B9R1.69 Cc1cc(ccc1O)F 271570a_203496583355_100011205405 [0,1,0,1,0,0|2,0,0]=4 903 B9R1.69 Cc1cc(ccc1O)N 271570a_203496583355_100000210723 [0,1,0,1,0,0|2,0,0]=4 904 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000186361 [0,1,0,1,0,0|1,0,0]=3 905 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000729255 [0,1,0,1,0,0|1,0,0]=3 906 B9R1.69 Cc1cc(cnc1Br)O 271570a_203496583355_100009816107 [0,1,0,1,0,0|2,0,0]=4 907 B9R1.69 Cc1cc(cnc1C)O 271570a_203496583355_100000697892 [0,1,0,1,0,0|2,0,0]=4 908 B9R1.69 Cc1cc(cnc1Cl)O 271570a_203496583355_100009922867 [0,1,0,1,0,0|2,0,0]=4 909 B9R1.69 Cc1cc(cnc1F)O 271570a_203496583355_100000709442 [0,1,0,1,0,0|2,0,0]=4 910 B9R1.69 Cc1cc(cnc1N)O 271570a_203496583355_100000186686 [0,1,0,1,0,0|2,0,0]=4 911 B9R1.69 Cc1cc(cnc1O)O 271570a_203496583355_100000685391 [0,1,0,1,0,0|2,0,0]=4 912 B9R1.69 Cc1cc(cnc1O)O 271570a_203496583355_100012000486 [0,1,0,1,0,0|2,0,0]=4 913 B9R1.69 Cc1cc(ncc1Br)O 271570a_203496583355_100012356354 [0,1,0,1,0,0|2,0,0]=4 914 B9R1.69 Cc1cc(ncc1F)O 271570a_203496583355_100009818257 [0,1,0,1,0,0|2,0,0]=4 915 B9R1.69 Cc1cc(ncc1N)O 271570a_203496583355_100000765520 [0,1,0,1,0,0|2,0,0]=4 916 B9R1.69 Cc1cc(ncc1O)O 271570a_203496583355_100000692680 [0,1,0,1,0,0|2,0,0]=4 917 B9R1.69 Cc1cc(ncc1O)O 271570a_203496583355_100010114363 [0,1,0,1,0,0|2,0,0]=4 918 B9R1.69 Cc1ccc(c(c1)Br)O 271570a_203496583355_100009813563 [0,1,0,1,0,0|2,0,0]=4 919 B9R1.69 Cc1ccc(c(c1)C)O 271570a_203496583355_100011217332 [0,1,0,1,0,0|2,0,0]=4 920 B9R1.69 Cc1ccc(c(c1)Cl)O 271570a_203496583355_100011263221 [0,1,0,1,0,0|2,0,0]=4 921 B9R1.69 Cc1ccc(c(c1)F)O 271570a_203496583355_100011216119 [0,1,0,1,0,0|2,0,0]=4 922 B9R1.69 Cc1ccc(c(c1)N)O 271570a_203496583355_100011216686 [0,1,0,1,0,0|2,0,0]=4 923 B9R1.69 Cc1ccc(c(c1)O)Br 271570a_203496583355_100012353751 [0,1,0,1,0,0|1,0,0]=3 924 B9R1.69 Cc1ccc(c(c1)O)C 271570a_203496583355_100000210833 [0,1,0,1,0,0|1,0,0]=3 925 B9R1.69 Cc1ccc(c(c1)O)Cl 271570a_203496583355_100012356289 [0,1,0,1,0,0|1,0,0]=3 926 B9R1.69 Cc1ccc(c(c1)O)F 271570a_203496583355_100000736223 [0,1,0,1,0,0|1,0,0]=3 927 B9R1.69 Cc1ccc(c(c1)O)N 271570a_203496583355_100000210942 [0,1,0,1,0,0|1,0,0]=3 928 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100000765521 [0,1,0,1,0,0|1,0,0]=3 929 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100012002257 [0,1,0,1,0,0|1,0,0]=3 930 B9R1.69 Cc1ccc(c(n1)C)O 271570a_203496583355_100009813853 [0,1,0,1,0,0|2,0,0]=4 931 B9R1.69 Cc1ccc(c(n1)F)O 271570a_203496583355_100010006597 [0,1,0,1,0,0|2,0,0]=4 932 B9R1.69 Cc1ccc(c(n1)N)O 271570a_203496583355_100009816662 [0,1,0,1,0,0|2,0,0]=4 933 B9R1.69 Cc1ccc(c(n1)O)C 271570a_203496583355_100009854376 [0,1,0,1,0,0|1,0,0]=3 934 B9R1.69 Cc1ccc(c(n1)O)F 271570a_203496583355_100009817602 [0,1,0,1,0,0|1,0,0]=3 935 B9R1.69 Cc1ccc(c(n1)O)N 271570a_203496583355_100000685570 [0,1,0,1,0,0|1,0,0]=3 936 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100000702858 [0,1,0,1,0,0|1,0,0]=3 937 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100009817604 [0,1,0,1,0,0|1,0,0]=3 938 B9R1.69 Cc1ccc(cc1Br)O 271570a_203496583355_100011847877 [0,1,0,1,0,0|2,0,0]=4 939 B9R1.69 Cc1ccc(cc1C)O 271570a_203496583355_100011215607 [0,1,0,1,0,0|1,0,0]=3 940 B9R1.69 Cc1ccc(cc1Cl)O 271570a_203496583355_100011216363 [0,1,0,1,0,0|2,0,0]=4 941 B9R1.69 Cc1ccc(cc1F)O 271570a_203496583355_100000720648 [0,1,0,1,0,0|2,0,0]=4 942 B9R1.69 Cc1ccc(cc1N)O 271570a_203496583355_100000761890 [0,1,0,1,0,0|2,0,0]=4 943 B9R1.69 Cc1ccc(cc1O)Br 271570a_203496583355_100011344865 [0,1,0,1,0,0|2,0,0]=4 944 B9R1.69 Cc1ccc(cc1O)Cl 271570a_203496583355_100011263213 [0,1,0,1,0,0|2,0,0]=4 945 B9R1.69 Cc1ccc(cc1O)F 271570a_203496583355_100011218078 [0,1,0,1,0,0|2,0,0]=4 946 B9R1.69 Cc1ccc(cc1O)N 271570a_203496583355_100000736455 [0,1,0,1,0,0|2,0,0]=4 947 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100000766334 [0,1,0,1,0,0|2,0,0]=4 948 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100011380479 [0,1,0,1,0,0|2,0,0]=4 949 B9R1.69 Cc1ccc(nc1C)O 271570a_203496583355_100000103781 [0,1,0,1,0,0|1,0,0]=3 950 B9R1.69 Cc1ccc(nc1N)O 271570a_203496583355_100009857032 [0,1,0,1,0,0|2,0,0]=4 951 B9R1.69 Cc1ccc(nc1O)N 271570a_203496583355_100000126722 [0,1,0,1,0,0|2,0,0]=4 952 B9R1.69 Cc1cnc(c(c1)O)C 271570a_203496583355_100009817436 [0,1,0,1,0,0|2,0,0]=4 953 B9R1.69 Cc1cnc(c(c1)O)Cl 271570a_203496583355_100010210167 [0,1,0,1,0,0|2,0,0]=4 954 B9R1.69 Cc1cnc(c(c1)O)F 271570a_203496583355_100000049784 [0,1,0,1,0,0|2,0,0]=4 955 B9R1.69 Cc1cnc(c(c1)O)N 271570a_203496583355_100000049664 [0,1,0,1,0,0|2,0,0]=4 956 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100000049931 [0,1,0,1,0,0|2,0,0]=4 957 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100012000487 [0,1,0,1,0,0|2,0,0]=4 958 B9R1.69 Cc1cnc(c(n1)O)C 271570a_203496583355_100000211308 [0,1,0,1,0,0|2,0,0]=4 959 B9R1.69 Cc1cnc(c(n1)O)N 271570a_203496583355_100009819049 [0,1,0,1,0,0|2,0,0]=4 960 B9R1.69 Cc1cnc(cc1C)O 271570a_203496583355_100009850809 [0,1,0,1,0,0|2,0,0]=4 961 B9R1.69 Cc1nc(c[nH]c1=O)O 271570a_203496583355_100010363809 [0,1,0,1,0,0|2,0,0]=4 962 B9R1.69 Cc1nc(ccc1Br)O 271570a_203496583355_100012360386 [0,1,0,1,0,0|1,0,0]=3 963 B9R1.69 Cc1nc(ccc1F)O 271570a_203496583355_100009814307 [0,1,0,1,0,0|1,0,0]=3 964 B9R1.69 Cc1nc(ccc1N)O 271570a_203496583355_100000760127 [0,1,0,1,0,0|1,0,0]=3 965 B9R1.69 Cc1nc(ccc1O)Cl 271570a_203496583355_100000062408 [0,1,0,1,0,0|2,0,0]=4 966 B9R1.69 Cc1nc(ccc1O)F 271570a_203496583355_100000688911 [0,1,0,1,0,0|2,0,0]=4 967 B9R1.69 Cc1nc(ccc1O)N 271570a_203496583355_100000013003 [0,1,0,1,0,0|2,0,0]=4 968 B9R1.69 Cc1nc(ccc1O)O 271570a_203496583355_100000691680 [0,1,0,1,0,0|1,0,0]=3 969 B9R1.69 Cc1nc(ccc1O)O 271570a_203496583355_100010233687 [0,1,0,1,0,0|1,0,0]=3 970 B9R1.69 Cc1nc(cnc1N)O 271570a_203496583355_100009818571 [0,1,0,1,0,0|2,0,0]=4 971 B9R1.69 Cc1nc(ncc1Cl)O 271570a_203496583355_100010174973 [0,1,0,1,0,0|2,0,0]=4 972 B9R1.69 Cc1nc(ncc1F)O 271570a_203496583355_100015641512 [0,1,0,1,0,0|2,0,0]=4 973 B9R1.69 Cc1nc(ncc1N)O 271570a_203496583355_100000123670 [0,1,0,1,0,0|2,0,0]=4 974 B9R1.69 Cc1ncc(c(=O)[nH]1)O 271570a_203496583355_100011999157 [0,1,0,1,0,0|2,0,0]=4 975 B9R1.69 Cc1ncc(c(n1)O)F 271570a_203496583355_100000059819 [0,1,0,1,0,0|2,0,0]=4 976 B9R1.69 Cc1ncc(c(n1)O)N 271570a_203496583355_100009873743 [0,1,0,1,0,0|2,0,0]=4 977 B9R1.69 Cc1ncc(nc1C)O 271570a_203496583355_100009878948 [0,1,0,1,0,0|2,0,0]=4 978 B9R1.69 Cn1cc(ccc1=O)O 271570a_203496583355_100011245003 [0,1,0,1,0,0|2,0,0]=4 979 B9R1.69 Cn1ccc(=O)c(c1)O 271570a_203496583355_100010750718 [0,1,0,1,0,0|2,0,0]=4 980 B9R1.69 Cn1nc(ccc1=O)O 271570a_203496583355_100009820752 [0,1,0,1,0,0|2,0,0]=4 981 B9R1.69 Nc1[nH]c(=O)ccc1O 271570a_203496583355_100009884077 [0,1,0,1,0,0|2,0,0]=4 982 B9R1.69 Nc1cc(ccc1Br)O 271570a_203496583355_100000750456 [0,1,0,1,0,0|2,0,0]=4 983 B9R1.69 Nc1cc(ccc1Cl)O 271570a_203496583355_200000761891 [0,1,0,1,0,0|2,0,0]=4 984 B9R1.69 Nc1cc(ccc1F)O 271570a_203496583355_100000740924 [0,1,0,1,0,0|2,0,0]=4 985 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100000752626 [0,1,0,1,0,0|2,0,0]=4 986 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100011999798 [0,1,0,1,0,0|2,0,0]=4 987 B9R1.69 Nc1ccc([nH]c1=S)O 271570a_203496583355_100116329207 [0,1,0,1,0,0|2,0,0]=4 988 B9R1.69 Nc1ccc(c(c1)O)Br 271570a_203496583355_100000750459 [0,1,0,1,0,0|2,0,0]=4 989 B9R1.69 Nc1ccc(c(c1)O)Cl 271570a_203496583355_100012360549 [0,1,0,1,0,0|2,0,0]=4 990 B9R1.69 Nc1ccc(c(c1)O)F 271570a_203496583355_100000760356 [0,1,0,1,0,0|2,0,0]=4 991 B9R1.69 Nc1ccc(c(c1)O)N 271570a_203496583355_100011534242 [0,1,0,1,0,0|2,0,0]=4 992 B9R1.69 Nc1ccc(c(c1)O)O 271570a_203496583355_100011534360 [0,1,0,1,0,0|2,0,0]=4 993 B9R1.69 Nc1ccc(c(n1)O)Br 271570a_203496583355_100010192275 [0,1,0,1,0,0|2,0,0]=4 994 B9R1.69 Nc1ccc(c(n1)O)F 271570a_203496583355_100010892222 [0,1,0,1,0,0|2,0,0]=4 995 B9R1.69 Nc1ccc(c(n1)O)N 271570a_203496583355_200009884323 [0,1,0,1,0,0|2,0,0]=4 996 B9R1.69 Nc1ccc(cc1Br)O 271570a_203496583355_100000750455 [0,1,0,1,0,0|2,0,0]=4 997 B9R1.69 Nc1ccc(cc1Cl)O 271570a_203496583355_100011218065 [0,1,0,1,0,0|2,0,0]=4 998 B9R1.69 Nc1ccc(cc1F)O 271570a_203496583355_100011215594 [0,1,0,1,0,0|2,0,0]=4 999 B9R1.69 Nc1ccc(cc1N)O 271570a_203496583355_100000741789 [0,1,0,1,0,0|2,0,0]=4 1000 B9R1.69 Nc1ccc(cc1O)Br 271570a_203496583355_100000187925 [0,1,0,1,0,0|2,0,0]=4 1001 B9R1.69 Nc1ccc(cc1O)Cl 271570a_203496583355_100000761889 [0,1,0,1,0,0|2,0,0]=4 1002 B9R1.69 Nc1ccc(cc1O)F 271570a_203496583355_100000760547 [0,1,0,1,0,0|2,0,0]=4 1003 B9R1.69 Nc1ccc(cc1O)O 271570a_203496583355_100000739049 [0,1,0,1,0,0|2,0,0]=4 1004 B9R1.69 Nc1ccc(cc1O)O 271570a_203496583355_100012001276 [0,1,0,1,0,0|2,0,0]=4 1005 B9R1.69 Nc1ccc(nc1Cl)O 271570a_203496583355_200010233646 [0,1,0,1,0,0|2,0,0]=4 1006 B9R1.69 Nc1ccc(nc1F)O 271570a_203496583355_100009856439 [0,1,0,1,0,0|2,0,0]=4 1007 B9R1.69 Nc1ccc(nc1N)O 271570a_203496583355_100000747239 [0,1,0,1,0,0|2,0,0]=4 1008 B9R1.69 Nc1ccc(nc1O)Br 271570a_203496583355_100010168765 [0,1,0,1,0,0|2,0,0]=4 1009 B9R1.69 Nc1ccc(nc1O)Cl 271570a_203496583355_100010233647 [0,1,0,1,0,0|2,0,0]=4 1010 B9R1.69 Nc1ccc(nc1O)F 271570a_203496583355_100009879877 [0,1,0,1,0,0|2,0,0]=4 1011 B9R1.69 Nc1ccc(nc1O)O 271570a_203496583355_100000718904 [0,1,0,1,0,0|2,0,0]=4 1012 B9R1.69 Nc1nc(ccc1F)O 271570a_203496583355_100016091773 [0,1,0,1,0,0|2,0,0]=4 1013 B9R1.69 Nc1nc(ccc1O)O 271570a_203496583355_100000685527 [0,1,0,1,0,0|2,0,0]=4 1014 B9R1.69 Oc1cc(ccc1Br)Br 271570a_203496583355_100011483371 [0,1,0,1,0,0|2,0,0]=4 1015 B9R1.69 Oc1cc(ccc1Br)Cl 271570a_203496583355_100012339723 [0,1,0,1,0,0|2,0,0]=4 1016 B9R1.69 Oc1cc(ccc1Br)F 271570a_203496583355_100011217576 [0,1,0,1,0,0|2,0,0]=4 1017 B9R1.69 Oc1cc(ccc1Cl)Br 271570a_203496583355_100011772130 [0,1,0,1,0,0|2,0,0]=4 1018 B9R1.69 Oc1cc(ccc1Cl)Cl 271570a_203496583355_100000707729 [0,1,0,1,0,0|2,0,0]=4 1019 B9R1.69 Oc1cc(ccc1Cl)F 271570a_203496583355_100011217299 [0,1,0,1,0,0|2,0,0]=4 1020 B9R1.69 Oc1cc(ccc1F)Br 271570a_203496583355_100011217312 [0,1,0,1,0,0|2,0,0]=4 1021 B9R1.69 Oc1cc(ccc1F)Cl 271570a_203496583355_100011218116 [0,1,0,1,0,0|2,0,0]=4 1022 B9R1.69 Oc1cc(ccc1F)F 271570a_203496583355_100000750033 [0,1,0,1,0,0|2,0,0]=4 1023 B9R1.69 Oc1ccc(c(c1)Br)Br 271570a_203496583355_100012356285 [0,1,0,1,0,0|2,0,0]=4 1024 B9R1.69 Oc1ccc(c(c1)Br)Cl 271570a_203496583355_100012353702 [0,1,0,1,0,0|2,0,0]=4 1025 B9R1.69 Oc1ccc(c(c1)Br)F 271570a_203496583355_100012047266 [0,1,0,1,0,0|2,0,0]=4 1026 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100000701344 [0,1,0,1,0,0|2,0,0]=4 1027 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100012361655 [0,1,0,1,0,0|2,0,0]=4 1028 B9R1.69 Oc1ccc(c(c1)Cl)Br 271570a_203496583355_100012047281 [0,1,0,1,0,0|2,0,0]=4 1029 B9R1.69 Oc1ccc(c(c1)Cl)Cl 271570a_203496583355_100011214914 [0,1,0,1,0,0|2,0,0]=4 1030 B9R1.69 Oc1ccc(c(c1)Cl)F 271570a_203496583355_100011215976 [0,1,0,1,0,0|2,0,0]=4 1031 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100000047559 [0,1,0,1,0,0|2,0,0]=4 1032 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100012360047 [0,1,0,1,0,0|2,0,0]=4 1033 B9R1.69 Oc1ccc(c(c1)F)Br 271570a_203496583355_100000685389 [0,1,0,1,0,0|2,0,0]=4 1034 B9R1.69 Oc1ccc(c(c1)F)Cl 271570a_203496583355_100011216805 [0,1,0,1,0,0|2,0,0]=4 1035 B9R1.69 Oc1ccc(c(c1)F)F 271570a_203496583355_100000750028 [0,1,0,1,0,0|2,0,0]=4 1036 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000185481 [0,1,0,1,0,0|2,0,0]=4 1037 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000755031 [0,1,0,1,0,0|2,0,0]=4 1038 B9R1.69 Oc1ccc(c(c1)O)Br 271570a_203496583355_100012339312 [0,1,0,1,0,0|2,0,0]=4 1039 B9R1.69 Oc1ccc(c(c1)O)Br 271570a_203496583355_100012356990 [0,1,0,1,0,0|2,0,0]=4 1040 B9R1.69 Oc1ccc(c(c1)O)Cl 271570a_203496583355_100000049588 [0,1,0,1,0,0|2,0,0]=4 1041 B9R1.69 Oc1ccc(c(c1)O)Cl 271570a_203496583355_100011356854 [0,1,0,1,0,0|2,0,0]=4 1042 B9R1.69 Oc1ccc(c(c1)O)F 271570a_203496583355_100000686035 [0,1,0,1,0,0|2,0,0]=4 1043 B9R1.69 Oc1ccc(c(c1)O)F 271570a_203496583355_100000693481 [0,1,0,1,0,0|2,0,0]=4 1044 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813601 [0,1,0,1,0,0|2,0,0]=4 1045 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813629 [0,1,0,1,0,0|2,0,0]=4 1046 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813921 [0,1,0,1,0,0|2,0,0]=4 1047 B9R1.69 Oc1ccc(c(n1)Br)O 271570a_203496583355_100000725334 [0,1,0,1,0,0|2,0,0]=4 1048 B9R1.69 Oc1ccc(c(n1)Cl)O 271570a_203496583355_100000721234 [0,1,0,1,0,0|2,0,0]=4 1049 B9R1.69 Oc1ccc(c(n1)F)Br 271570a_203496583355_100010134343 [0,1,0,1,0,0|2,0,0]=4 1050 B9R1.69 Oc1ccc(c(n1)F)O 271570a_203496583355_100009819667 [0,1,0,1,0,0|2,0,0]=4 1051 B9R1.69 Oc1ccc(c(n1)F)O 271570a_203496583355_100009879308 [0,1,0,1,0,0|2,0,0]=4 1052 B9R1.69 Oc1ccc(c(n1)O)F 271570a_203496583355_100010729010 [0,1,0,1,0,0|2,0,0]=4 1053 B9R1.69 Oc1ccc(cc1O)Br 271570a_203496583355_100012344904 [0,1,0,1,0,0|2,0,0]=4 1054 B9R1.69 Oc1ccc(cc1O)Br 271570a_203496583355_100012355227 [0,1,0,1,0,0|2,0,0]=4 1055 B9R1.69 Oc1ccc(cc1O)Cl 271570a_203496583355_100000050036 [0,1,0,1,0,0|2,0,0]=4 1056 B9R1.69 Oc1ccc(cc1O)Cl 271570a_203496583355_100011356953 [0,1,0,1,0,0|2,0,0]=4 1057 B9R1.69 Oc1ccc(cc1O)F 271570a_203496583355_100000211999 [0,1,0,1,0,0|2,0,0]=4 1058 B9R1.69 Oc1ccc(cc1O)F 271570a_203496583355_100000690578 [0,1,0,1,0,0|2,0,0]=4 1059 B9R1.69 Oc1ccc(nc1O)Br 271570a_203496583355_100010253912 [0,1,0,1,0,0|2,0,0]=4 1060 B9R1.69 Oc1ccc(nc1O)Cl 271570a_203496583355_100000696390 [0,1,0,1,0,0|2,0,0]=4 1061 B9R1.69 Oc1ccc(nc1O)F 271570a_203496583355_100010382442 [0,1,0,1,0,0|2,0,0]=4 1062 B9R1.69 Oc1nc(ccc1F)Cl 271570a_203496583355_100010136221 [0,1,0,1,0,0|2,0,0]=4 1063 B9R1.69 Oc1nc(ccc1F)F 271570a_203496583355_100010997973 [0,1,0,1,0,0|2,0,0]=4