0 B10R1.16 C=CCSc1ccc(s1)C 62a_100000031368_100000210623 [0,0,0,0,0,0|2,1,1]=4 1 B10R1.16 C=CCSc1ccc(s1)C 62a_100000210623_100000031368 [0,0,0,0,0,0|2,1,1]=4 2 B10R1.16 CCNCc1ccc(o1)C 207a_100015525214_100000183696 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.16 CCNCc1ccc(o1)C 270004a_100015525214_100000183696 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.16 CCNCc1ccc(o1)C 34a_100011194323_100000210202 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.16 CCOCc1ccc(o1)C 34a_100011232665_100000210202 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.16 CCOCc1ccc(o1)C 7a_100011232665_100000210202 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.16 CNCCc1ccc(o1)C 2230a_100000739271_200000210301 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.16 CNCCc1ccc(o1)C 34a_100000739271_200000210301 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.16 COCCc1ccc(o1)C 34a_100012161071_200000210301 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.16 COCCc1ccc(o1)C 7a_100012161071_200000210301 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.16 Cc1c[nH]c(n1)SCC=O 62a_100161115468_200015260668 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.16 Cc1c[nH]c(n1)SCC=O 62a_200015260668_100161115468 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.16 Cc1cc(cs1)SCC=O 62a_100000759034_200015260668 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.16 Cc1cc(cs1)SCC=O 62a_200015260668_100000759034 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.16 Cc1ccc(o1)CCN[13CH3] 2230a_100000739271_200025704644 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.16 Cc1ccc(o1)CCN[13CH3] 34a_100000739271_200025704644 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.16 Cc1ccc(o1)CCO[13CH3] 34a_100012161071_200025704644 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.16 Cc1ccc(o1)CCO[13CH3] 7a_100012161071_200025704644 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.16 Cc1ccc(o1)CNCF 34a_100011194323_100015361967 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.16 Cc1ccc(o1)COCF 34a_100011232665_100015361967 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.16 Cc1ccc(o1)COCF 7a_100011232665_100015361967 [0,0,0,0,0,0|2,0,2]=4 22 B10R1.16 Cc1ccc(s1)SCC=O 62a_100000031368_200015260668 [0,0,0,0,0,0|1,1,1]=3 23 B10R1.16 Cc1ccc(s1)SCC=O 62a_200015260668_100000031368 [0,0,0,0,0,0|1,1,1]=3 24 B10R1.16 Cc1cnc(s1)SCC=O 62a_100000690809_200015260668 [0,0,0,0,0,0|2,1,1]=4 25 B10R1.16 Cc1cnc(s1)SCC=O 62a_200015260668_100000690809 [0,0,0,0,0,0|2,1,1]=4 26 B10R1.16 Cc1csc(c1)SCC=O 62a_100009876951_200015260668 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.16 Cc1csc(c1)SCC=O 62a_200015260668_100009876951 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.16 Cc1csc(n1)SCC=O 62a_100011291629_200015260668 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.16 Cc1csc(n1)SCC=O 62a_200015260668_100011291629 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.16 Cc1nc(c[nH]1)SCC=O 62a_100009814057_200015260668 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.16 Cc1nc(c[nH]1)SCC=O 62a_200015260668_100009814057 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.16 Cc1nc(cs1)SCC=O 62a_100011934587_200015260668 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.16 Cc1nc(cs1)SCC=O 62a_200015260668_100011934587 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.16 Cc1ncc(s1)SCC=O 62a_100000764884_200015260668 [0,0,0,0,0,0|2,1,1]=4 35 B10R1.16 Cc1ncc(s1)SCC=O 62a_200015260668_100000764884 [0,0,0,0,0,0|2,1,1]=4 36 B10R1.16 Cc1nnc(o1)SCC=O 62a_200015260668_100000708914 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.16 Cn1ccc(n1)OCC=O 34a_100012642153_200009817547 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.16 Cn1ccc(n1)SCC=O 62a_100000752436_200015260668 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.16 Cn1ccc(n1)SCC=O 62a_200015260668_100000752436 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.16 O=CCSc1ccc(s1)Br 62a_100010197418_200015260668 [0,0,0,0,0,0|2,1,1]=4 41 B10R1.16 O=CCSc1ccc(s1)Br 62a_200015260668_100010197418 [0,0,0,0,0,0|2,1,1]=4 42 B9R1.7 C=C=Cc1c[nH]c(n1)C 271570a_100015277604_100009814057 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.7 C=C=Cc1cc(cs1)C 271570a_100015277604_100009876951 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.7 C=C=Cc1ccc(s1)Br 271570a_100015277604_100010197418 [1,0,0,0,0,0|1,1,1]=4 45 B9R1.7 C=C=Cc1ccc(s1)C 271570a_100015277604_100000761539 [1,0,0,0,0,0|0,1,1]=3 46 B9R1.7 C=C=Cc1ccn(n1)C 271570a_100015277604_100000752436 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.7 C=C=Cc1cnc(s1)C 271570a_100015277604_100000764884 [1,0,0,0,0,0|1,1,1]=4 48 B9R1.7 C=C=Cc1csc(c1)C 271570a_100015277604_100000759034 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.7 C=C=Cc1csc(n1)C 271570a_100015277604_100011934587 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.7 C=C=Cc1nc(c[nH]1)C 271570a_100015277604_100161115468 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.7 C=C=Cc1nc(cs1)C 271570a_100015277604_100011291629 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.7 C=C=Cc1ncc(s1)C 271570a_100015277604_100000690809 [1,0,0,0,0,0|1,1,1]=4 53 B9R1.7 C=C=Cc1nnc(o1)C 271570a_100015277604_100000708914 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.7 CC=Cc1c[nH]c(n1)C 271570a_100016259895_100009814057 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.7 CC=Cc1cc(cs1)C 271570a_100016259895_100009876951 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.7 CC=Cc1ccc(s1)Br 271570a_100016259895_100010197418 [1,0,0,0,0,0|1,1,1]=4 57 B9R1.7 CC=Cc1ccc(s1)C 271570a_100016259895_100000761539 [1,0,0,0,0,0|0,1,1]=3 58 B9R1.7 CC=Cc1ccn(n1)C 271570a_100016259895_100000752436 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.7 CC=Cc1cnc(s1)C 271570a_100016259895_100000764884 [1,0,0,0,0,0|1,1,1]=4 60 B9R1.7 CC=Cc1csc(c1)C 271570a_100016259895_100000759034 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.7 CC=Cc1csc(n1)C 271570a_100016259895_100011934587 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.7 CC=Cc1nc(c[nH]1)C 271570a_100016259895_100161115468 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.7 CC=Cc1nc(cs1)C 271570a_100016259895_100011291629 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.7 CC=Cc1ncc(s1)C 271570a_100016259895_100000690809 [1,0,0,0,0,0|1,1,1]=4 65 B9R1.7 CC=Cc1nnc(o1)C 271570a_100016259895_100000708914 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [1,0,0,0,0,0|1,0,2]=4 67 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [1,0,0,0,0,0|1,0,2]=4 68 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [1,0,0,0,0,0|1,0,2]=4 69 B9R1.7 COCc1ccc(o1)C 34a_100011232665_200000210301 [1,0,0,0,0,0|1,0,2]=4 70 B9R1.7 COCc1ccc(o1)C 7a_100011232665_200000210301 [1,0,0,0,0,0|1,0,2]=4 71 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [1,0,0,0,0,0|1,0,2]=4 72 B9R1.7 Cc1ccc(o1)CO[13CH3] 34a_100011232665_200025704644 [1,0,0,0,0,0|1,0,2]=4 73 B9R1.7 Cc1ccc(o1)CO[13CH3] 7a_100011232665_200025704644 [1,0,0,0,0,0|1,0,2]=4 74 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [1,0,0,0,0,0|1,0,1]=3 77 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [1,0,0,0,0,0|1,0,1]=3 78 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [1,0,0,0,0,0|1,1,1]=4 79 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [1,0,0,0,0,0|1,1,1]=4 80 B9R1.12 O=CCSc1cnco1 62a_100020591547_200015260668 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.12 O=CCSc1cnco1 62a_200015260668_100020591547 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.12 O=CCSc1ncco1 62a_100011787736_200015260668 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.12 O=CCSc1ncco1 62a_200015260668_100011787736 [1,0,0,0,0,0|2,0,1]=4 84 B11R1.27 C/C=C/CSc1ccc(s1)C 62a_100000031368_100102629194 [0,1,0,0,0,0|1,1,1]=4 85 B11R1.27 C/C=C/CSc1ccc(s1)C 62a_100102629194_100000031368 [0,1,0,0,0,0|1,1,1]=4 86 B11R1.27 C=CCNCc1ccc(o1)C 270004a_100020586998_100000183696 [0,1,0,0,0,0|1,0,2]=4 87 B11R1.27 C=CCNCc1ccc(o1)C 34a_100011194323_100015514636 [0,1,0,0,0,0|1,0,2]=4 88 B11R1.27 C=CCOCc1ccc(o1)C 34a_100011232665_100015514636 [0,1,0,0,0,0|1,0,2]=4 89 B11R1.27 C=CCOCc1ccc(o1)C 7a_100011232665_100015514636 [0,1,0,0,0,0|1,0,2]=4 90 B11R1.27 CC=CCSc1ccc(s1)C 62a_100000031368_100000070051 [0,1,0,0,0,0|1,1,1]=4 91 B11R1.27 CC=CCSc1ccc(s1)C 62a_100000070051_100000031368 [0,1,0,0,0,0|1,1,1]=4 92 B11R1.27 CCCC=Cc1ccc(s1)C 271570a_100016258520_100000761539 [0,1,0,0,0,0|1,1,1]=4 93 B11R1.27 CCNN=Cc1ccc(o1)C 4a_100000756455_100000183696 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.27 CCOC=Cc1ccc(s1)C 271570a_100016256518_100000761539 [0,1,0,0,0,0|1,1,1]=4 95 B11R1.27 COCC=Cc1ccc(s1)C 271570a_100016286323_100000761539 [0,1,0,0,0,0|0,1,2]=4 96 B11R1.27 Cc1ccc(o1)CNCC=O 34a_100011194323_200009817547 [0,1,0,0,0,0|0,0,2]=3 97 B11R1.27 Cc1ccc(o1)COCC=O 34a_100011232665_200009817547 [0,1,0,0,0,0|0,0,2]=3 98 B11R1.27 Cc1ccc(o1)COCC=O 7a_100011232665_200015260668 [0,1,0,0,0,0|0,0,2]=3 99 B11R1.27 Cc1ccc(s1)CNCC=O 2230a_100000238518_200015260668 [0,1,0,0,0,0|0,1,2]=4 100 B11R1.27 Cc1ccc(s1)COCC=O 34a_100000238367_200009817547 [0,1,0,0,0,0|0,1,2]=4 101 B11R1.27 Cc1cnc(o1)CNCC=O 2230a_100138411809_200015260668 [0,1,0,0,0,0|1,0,2]=4 102 B11R1.27 Cc1cnc(o1)CNCC=O 34a_100138411809_200009817547 [0,1,0,0,0,0|1,0,2]=4 103 B11R1.27 O=CCNCc1ccc(o1)Br 34a_100000708654_200009817547 [0,1,0,0,0,0|1,0,2]=4 104 B11R1.27 O=CCOCc1ccc(o1)Br 34a_100000246276_200009817547 [0,1,0,0,0,0|1,0,2]=4 105 B11R1.27 O=CCOCc1ccc(o1)Br 7a_100000246276_200015260668 [0,1,0,0,0,0|1,0,2]=4 106 B11R1.39 CC(=Cc1ccc(o1)I)C#N 6a_100000186757_200000212204 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.39 N#CC(=Cc1ccc(o1)I)F 6a_100000186757_200000032654 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.75 CC(=O)C=Cc1cc(cs1)Br 1458a_100102601599_200000210301 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.75 CC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200000210301 [0,1,0,0,0,0|1,0,0]=2 110 B11R1.75 CC(=O)C=Cc1ccc(o1)C 1458a_100000183563_200000210301 [0,1,0,0,0,0|0,0,0]=1 111 B11R1.75 CC(=O)C=Cc1ccc(o1)I 1458a_100000679848_200000210301 [0,1,0,0,0,0|1,0,0]=2 112 B11R1.75 CC(=O)C=Cc1ccc(s1)Br 1458a_100102558031_200000210301 [0,1,0,0,0,0|1,1,0]=3 113 B11R1.75 CC(=O)C=Cc1ccc(s1)C 1458a_100102558089_200000210301 [0,1,0,0,0,0|0,1,0]=2 114 B11R1.75 CC(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_200000210301 [0,1,0,0,0,0|1,1,0]=3 115 B11R1.75 CC(=O)C=Cc1cnn(c1)C 1458a_100000230101_200000210301 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.75 CC(=O)NCc1ccc(o1)Br 11a_100000708654_100015343762 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.75 CC(=O)NCc1ccc(o1)Br 1626a_100000708654_100015343762 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.75 CC(=O)NCc1ccc(o1)Br 240690a_100000708654_100015343762 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.75 CC(=O)NCc1ccc(o1)Br 527a_100000708654_100103153847 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.75 CC(=O)NCc1ccc(o1)C 11a_100011194323_100015343762 [0,1,0,0,0,0|1,0,1]=3 121 B11R1.75 CC(=O)NCc1ccc(o1)C 1626a_100011194323_100015343762 [0,1,0,0,0,0|1,0,1]=3 122 B11R1.75 CC(=O)NCc1ccc(o1)C 240690a_100011194323_100015343762 [0,1,0,0,0,0|1,0,1]=3 123 B11R1.75 CC(=O)NCc1ccc(o1)C 527a_100011194323_100103153847 [0,1,0,0,0,0|1,0,1]=3 124 B11R1.75 CC(=O)NCc1ccc(s1)C 11a_100000238518_100015343762 [0,1,0,0,0,0|1,1,1]=4 125 B11R1.75 CC(=O)NCc1ccc(s1)C 1626a_100000238518_100015343762 [0,1,0,0,0,0|1,1,1]=4 126 B11R1.75 CC(=O)NCc1ccc(s1)C 240690a_100000238518_100015343762 [0,1,0,0,0,0|1,1,1]=4 127 B11R1.75 CC(=O)NCc1ccc(s1)C 527a_100000238518_100103153847 [0,1,0,0,0,0|1,1,1]=4 128 B11R1.75 CC(=O)NCc1ncc(o1)C 11a_100138411809_100015343762 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.75 CC(=O)NCc1ncc(o1)C 1626a_100138411809_100015343762 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.75 CC(=O)NCc1ncc(o1)C 240690a_100138411809_100015343762 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.75 CC(=O)NCc1ncc(o1)C 527a_100138411809_100103153847 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.75 Cc1ccc(o1)C=CC(=O)[13CH3] 1458a_100000183563_200025704644 [0,1,0,0,0,0|0,0,0]=1 133 B11R1.75 Cc1ccc(s1)C=CC(=O)[13CH3] 1458a_100102558089_200025704644 [0,1,0,0,0,0|0,1,0]=2 134 B11R1.75 Cc1ccc(s1)C=CC(C)C 271570a_100016257149_100000761539 [0,1,0,0,0,0|1,1,1]=4 135 B11R1.75 Cc1ccc(s1)C=CC(C)O 271570a_200011019289_100000761539 [0,1,0,0,0,0|0,1,2]=4 136 B11R1.75 Cc1ccc(s1)SCC(=O)N 62a_100000031368_100000747473 [0,1,0,0,0,0|1,1,1]=4 137 B11R1.75 Cc1ccc(s1)SCC(=O)N 62a_100000747473_100000031368 [0,1,0,0,0,0|1,1,1]=4 138 B11R1.75 Cc1ccc(s1)SCC(=O)[O-] 62a_100000031368_100020667443 [0,1,0,0,0,0|1,1,1]=4 139 B11R1.75 Cc1ccc(s1)SCC(=O)[O-] 62a_100020667443_100000031368 [0,1,0,0,0,0|1,1,1]=4 140 B11R1.75 Cn1cc(cn1)C=CC(=O)[13CH3] 1458a_100000230101_200025704644 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.75 [13CH3]C(=O)C=Cc1cc(cs1)Br 1458a_100102601599_200025704644 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200025704644 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)I 1458a_100000679848_200025704644 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.75 [13CH3]C(=O)C=Cc1ccc(s1)Br 1458a_100102558031_200025704644 [0,1,0,0,0,0|1,1,0]=3 145 B11R1.75 [13CH3]C(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_200025704644 [0,1,0,0,0,0|1,1,0]=3 146 B11R1.214 C=CCSc1ccc(o1)CN 62a_100000210623_100000708654 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.214 C=CCSc1ccc(o1)CO 62a_100000210623_100000246276 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.214 C=CCSc1ccc(o1)CO 62a_100000246276_100000210623 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.214 CCc1ccc(s1)SCC=O 62a_100009844052_200015260668 [0,1,0,0,0,0|1,1,1]=4 150 B11R1.214 CCc1ccc(s1)SCC=O 62a_200015260668_100009844052 [0,1,0,0,0,0|1,1,1]=4 151 B11R1.214 N#Cc1ccc(o1)SCC=O 62a_200015260668_100000764468 [0,1,0,0,0,0|1,0,2]=4 152 B11R1.214 NCc1ccc(o1)SCC=O 62a_200015260668_100000708654 [0,1,0,0,0,0|1,0,1]=3 153 B11R1.214 NCc1ccc(s1)SCC=O 62a_100000737305_200015260668 [0,1,0,0,0,0|1,1,1]=4 154 B11R1.214 NCc1ccc(s1)SCC=O 62a_200015260668_100000737305 [0,1,0,0,0,0|1,1,1]=4 155 B11R1.214 O=CCSc1ccc(o1)C=O 62a_200015260668_100000186757 [0,1,0,0,0,0|1,0,2]=4 156 B11R1.214 O=CCSc1ccc(o1)CO 62a_100000246276_200015260668 [0,1,0,0,0,0|1,0,1]=3 157 B11R1.214 O=CCSc1ccc(o1)CO 62a_200015260668_100000246276 [0,1,0,0,0,0|1,0,1]=3 158 B11R1.214 O=CCSc1ccc(s1)CO 62a_100000246291_200015260668 [0,1,0,0,0,0|1,1,1]=4 159 B11R1.214 O=CCSc1ccc(s1)CO 62a_200015260668_100000246291 [0,1,0,0,0,0|1,1,1]=4 160 B11R1.230 Cc1cc(c(s1)SCC=O)C 62a_100000689295_200015260668 [0,1,0,0,0,0|1,1,1]=4 161 B11R1.230 Cc1cc(c(s1)SCC=O)C 62a_200015260668_100000689295 [0,1,0,0,0,0|1,1,1]=4 162 B11R1.231 Cc1cc(sc1C)SCC=O 62a_100009850898_200015260668 [0,1,0,0,0,0|1,1,1]=4 163 B11R1.231 Cc1cc(sc1C)SCC=O 62a_200015260668_100009850898 [0,1,0,0,0,0|1,1,1]=4 164 B9R0.4 C=CC=CC(=O)CC(=C)C 1458a_100016291481_100000748629 [0,0,1,0,0,0|3,0,0]=4 165 B9R0.18 C=CC=CC(=O)C/C=C/C 1458a_100016291481_100102629194 [0,0,1,0,0,0|1,0,2]=4 166 B9R0.18 C=CC=CC(=O)CC=CC 1458a_100016291481_100000070051 [0,0,1,0,0,0|1,0,2]=4 167 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [0,0,0,1,0,0|3,0,0]=4 168 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [0,0,0,1,0,0|2,0,0]=3 169 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [0,0,0,1,0,0|2,1,0]=4 170 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [0,0,0,0,0,1|2,0,1]=4 171 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [0,0,0,0,0,1|2,0,1]=4 172 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [0,0,0,0,0,1|2,0,1]=4 173 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [0,0,0,0,0,1|2,0,1]=4 174 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [0,0,0,0,0,1|2,0,1]=4 175 B11R1.1 Cc1ccc(cn1)OCC=O 34a_100000745506_200009817547 [0,0,0,0,0,1|2,0,1]=4 176 B11R1.1 Cc1ccc(cn1)OCC=O 7a_100000745506_200015260668 [0,0,0,0,0,1|2,0,1]=4 177 B11R1.1 Cc1ccc(cn1)SCC=O 62a_100000751577_200015260668 [0,0,0,0,0,1|2,0,1]=4 178 B11R1.1 Cc1ccc(cn1)SCC=O 62a_200015260668_100000751577 [0,0,0,0,0,1|2,0,1]=4 179 B11R1.1 Cc1ccc(nc1)OCC=O 34a_100000759353_200009817547 [0,0,0,0,0,1|2,0,1]=4 180 B11R1.1 Cc1ccc(nc1)SCC=O 62a_100011192072_200015260668 [0,0,0,0,0,1|2,0,1]=4 181 B11R1.1 Cc1ccc(nc1)SCC=O 62a_200015260668_100000754016 [0,0,0,0,0,1|2,0,1]=4 182 B11R1.1 Cc1ccc(nn1)SCC=O 62a_100000744512_200015260668 [0,0,0,0,0,1|2,0,1]=4 183 B11R1.1 Cc1ccc(nn1)SCC=O 62a_200015260668_100000744512 [0,0,0,0,0,1|2,0,1]=4 184 B11R1.24 Cc1cc(ccn1)OCC=O 34a_100000688365_200009817547 [0,0,0,0,0,1|2,0,1]=4 185 B11R1.24 Cc1cc(ccn1)SCC=O 62a_100000758586_200015260668 [0,0,0,0,0,1|2,0,1]=4 186 B11R1.24 Cc1cc(ccn1)SCC=O 62a_200015260668_100000758586 [0,0,0,0,0,1|2,0,1]=4 187 B11R1.24 Cc1cccc(c1)NCC=O 2230a_100000188690_200015260668 [0,0,0,0,0,1|2,0,1]=4 188 B11R1.24 Cc1cccc(c1)NCC=O 34a_100000188690_200009817547 [0,0,0,0,0,1|2,0,1]=4 189 B11R1.24 Cc1cccc(c1)OCC=O 34a_100000210337_200009817547 [0,0,0,0,0,1|2,0,1]=4 190 B11R1.24 Cc1cccc(c1)OCC=O 7a_100000210337_200015260668 [0,0,0,0,0,1|2,0,1]=4 191 B11R1.24 Cc1cccc(c1)SCC=O 62a_100011215228_200015260668 [0,0,0,0,0,1|2,0,1]=4 192 B11R1.24 Cc1cccc(c1)SCC=O 62a_200015260668_100011215228 [0,0,0,0,0,1|2,0,1]=4 193 B11R1.24 Cc1cccc(n1)SCC=O 62a_100000742759_200015260668 [0,0,0,0,0,1|2,0,1]=4 194 B11R1.24 Cc1cccc(n1)SCC=O 62a_200015260668_100000742759 [0,0,0,0,0,1|2,0,1]=4 195 B11R1.24 Cc1ccnc(c1)SCC=O 62a_100000750283_200015260668 [0,0,0,0,0,1|2,0,1]=4 196 B11R1.24 Cc1ccnc(c1)SCC=O 62a_200015260668_100000750283 [0,0,0,0,0,1|2,0,1]=4 197 B11R1.24 Cc1ccnc(n1)SCC=O 62a_100011243806_200015260668 [0,0,0,0,0,1|2,0,1]=4 198 B11R1.24 Cc1ccnc(n1)SCC=O 62a_200015260668_100011243806 [0,0,0,0,0,1|2,0,1]=4 199 B11R1.24 Cc1cncc(c1)OCC=O 34a_100011830280_200009817547 [0,0,0,0,0,1|2,0,1]=4 200 B11R1.24 Cc1cncc(c1)OCC=O 7a_100011830280_200015260668 [0,0,0,0,0,1|2,0,1]=4 201 B11R1.24 Cc1cncc(c1)SCC=O 62a_100000760492_200015260668 [0,0,0,0,0,1|2,0,1]=4 202 B11R1.24 Cc1cncc(c1)SCC=O 62a_200015260668_100000760492 [0,0,0,0,0,1|2,0,1]=4 203 B11R1.24 Cc1cncc(n1)SCC=O 62a_100000754123_200015260668 [0,0,0,0,0,1|2,0,1]=4 204 B11R1.24 Cc1cncc(n1)SCC=O 62a_200015260668_100000754123 [0,0,0,0,0,1|2,0,1]=4 205 B11R1.24 Cc1nccc(n1)SCC=O 62a_100000749937_200015260668 [0,0,0,0,0,1|2,0,1]=4 206 B11R1.24 Cc1nccc(n1)SCC=O 62a_200015260668_100000749937 [0,0,0,0,0,1|2,0,1]=4 207 B8R1.1 C=Cc1c[nH]c(n1)C 271570a_100011290941_100009814057 [2,0,0,0,0,0|2,0,0]=4 208 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.1 C=Cc1ccc(s1)Br 271570a_100011290941_100010197418 [2,0,0,0,0,0|1,1,0]=4 210 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [2,0,0,0,0,0|0,1,0]=3 211 B8R1.1 C=Cc1ccn(n1)C 271570a_100011290941_100000752436 [2,0,0,0,0,0|2,0,0]=4 212 B8R1.1 C=Cc1cnc(s1)C 271570a_100011290941_100000764884 [2,0,0,0,0,0|1,1,0]=4 213 B8R1.1 C=Cc1csc(c1)C 271570a_100011290941_100000759034 [2,0,0,0,0,0|2,0,0]=4 214 B8R1.1 C=Cc1csc(n1)C 271570a_100011290941_100011934587 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.1 C=Cc1nc(c[nH]1)C 271570a_100011290941_100161115468 [2,0,0,0,0,0|2,0,0]=4 216 B8R1.1 C=Cc1nc(cs1)C 271570a_100011290941_100011291629 [2,0,0,0,0,0|2,0,0]=4 217 B8R1.1 C=Cc1ncc(s1)C 271570a_100011290941_100000690809 [2,0,0,0,0,0|1,1,0]=4 218 B8R1.1 C=Cc1nnc(o1)C 271570a_100011290941_100000708914 [2,0,0,0,0,0|2,0,0]=4 219 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [2,0,0,0,0,0|1,0,0]=3 220 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [2,0,0,0,0,0|1,1,0]=4 221 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [2,0,0,0,0,0|0,0,1]=3 222 B8R1.8 C=C=Cc1cccs1 271570a_100015277604_100011215356 [2,0,0,0,0,0|0,1,1]=4 223 B8R1.8 C=C=Cc1cnco1 271570a_100015277604_100020591547 [2,0,0,0,0,0|1,0,1]=4 224 B8R1.8 C=C=Cc1ncco1 271570a_100015277604_100011787736 [2,0,0,0,0,0|1,0,1]=4 225 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [2,0,0,0,0,0|0,0,1]=3 226 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [2,0,0,0,0,0|0,1,1]=4 227 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [2,0,0,0,0,0|1,0,1]=4 228 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [2,0,0,0,0,0|1,0,1]=4 229 B10R1.54 CC(=Cc1ccc(s1)C)C 271570a_100102525489_100000761539 [1,1,0,0,0,0|0,1,1]=4 230 B10R1.96 C=C=Cc1ccc(o1)C#N 271570a_100015277604_100000764468 [1,1,0,0,0,0|0,0,2]=4 231 B10R1.96 C=C=Cc1ccc(o1)C=O 271570a_100015277604_100000185145 [1,1,0,0,0,0|0,0,2]=4 232 B10R1.96 C=C=Cc1ccc(o1)CN 271570a_100015277604_100000708654 [1,1,0,0,0,0|0,0,1]=3 233 B10R1.96 C=C=Cc1ccc(o1)CO 271570a_100015277604_100000246276 [1,1,0,0,0,0|0,0,1]=3 234 B10R1.96 C=C=Cc1ccc(s1)CC 271570a_100015277604_100009844052 [1,1,0,0,0,0|0,1,1]=4 235 B10R1.96 C=C=Cc1ccc(s1)CN 271570a_100015277604_100000737305 [1,1,0,0,0,0|0,1,1]=4 236 B10R1.96 C=C=Cc1ccc(s1)CO 271570a_100015277604_100000246291 [1,1,0,0,0,0|0,1,1]=4 237 B10R1.96 CC=Cc1ccc(o1)C#N 271570a_100016259895_100000764468 [1,1,0,0,0,0|0,0,2]=4 238 B10R1.96 CC=Cc1ccc(o1)C=O 271570a_100016259895_100000185145 [1,1,0,0,0,0|0,0,2]=4 239 B10R1.96 CC=Cc1ccc(o1)CN 271570a_100016259895_100000708654 [1,1,0,0,0,0|0,0,1]=3 240 B10R1.96 CC=Cc1ccc(o1)CO 271570a_100016259895_100000246276 [1,1,0,0,0,0|0,0,1]=3 241 B10R1.96 CC=Cc1ccc(s1)CC 271570a_100016259895_100009844052 [1,1,0,0,0,0|0,1,1]=4 242 B10R1.96 CC=Cc1ccc(s1)CN 271570a_100016259895_100000737305 [1,1,0,0,0,0|0,1,1]=4 243 B10R1.96 CC=Cc1ccc(s1)CO 271570a_100016259895_100000246291 [1,1,0,0,0,0|0,1,1]=4 244 B10R1.130 C=C=Cc1sc(cc1C)C 271570a_100015277604_100000689295 [1,1,0,0,0,0|0,1,1]=4 245 B10R1.130 CC=Cc1sc(cc1C)C 271570a_100016259895_100000689295 [1,1,0,0,0,0|0,1,1]=4 246 B10R1.131 C=C=Cc1cc(c(s1)C)C 271570a_100015277604_100009850898 [1,1,0,0,0,0|0,1,1]=4 247 B10R1.131 CC=Cc1cc(c(s1)C)C 271570a_100016259895_100009850898 [1,1,0,0,0,0|0,1,1]=4 248 B10R1.21 C/C=C/CSc1ccco1 62a_100009814098_100102629194 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.21 C/C=C/CSc1ccco1 62a_100102629194_100009814098 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.21 CC=CCSc1ccco1 62a_100000070051_100009814098 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.21 CC=CCSc1ccco1 62a_100009814098_100000070051 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.21 CCCC=Cc1ccco1 271570a_100016258520_100009814098 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.21 CCOC=Cc1ccco1 271570a_100016256518_100009814098 [1,1,0,0,0,0|1,0,1]=4 254 B10R1.21 CNCC=Cc1ccco1 270004a_106832991635_100000185671 [1,1,0,0,0,0|1,0,1]=4 255 B10R1.21 COCC=Cc1ccco1 271570a_100016286323_100009814098 [1,1,0,0,0,0|0,0,2]=4 256 B10R1.21 O=CCNCc1ccco1 2230a_100000185738_200015260668 [1,1,0,0,0,0|0,0,2]=4 257 B10R1.21 O=CCNCc1ccco1 34a_100000185738_200009817547 [1,1,0,0,0,0|0,0,2]=4 258 B10R1.21 O=CCOCc1ccco1 34a_100000210059_200009817547 [1,1,0,0,0,0|0,0,2]=4 259 B10R1.66 CC(=O)C=Cc1c[nH]cn1 1458a_100102678534_200000210301 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [1,1,0,0,0,0|0,1,0]=3 261 B10R1.66 CC(=O)C=Cc1ccoc1 1458a_100000238621_200000210301 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.66 CC(=O)C=Cc1ccsc1 1458a_100000698588_200000210301 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.66 CC(=O)C=Cc1cscn1 1458a_200000747928_200000210301 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.66 CC(=O)C=Cc1nccs1 1458a_100102558208_200000210301 [1,1,0,0,0,0|1,1,0]=4 265 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [1,1,0,0,0,0|0,0,2]=4 266 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [1,1,0,0,0,0|1,0,1]=4 268 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.66 CC(C)C=Cc1ccco1 271570a_100016257149_100009814098 [1,1,0,0,0,0|1,0,1]=4 271 B10R1.66 CC(O)C=Cc1ccco1 271570a_200011019289_100009814098 [1,1,0,0,0,0|0,0,2]=4 272 B10R1.66 NC(=O)CSc1ccco1 62a_100000747473_100009814098 [1,1,0,0,0,0|1,0,1]=4 273 B10R1.66 NC(=O)CSc1ccco1 62a_100009814098_100000747473 [1,1,0,0,0,0|1,0,1]=4 274 B10R1.66 O=C([O-])CSc1ccco1 62a_100009814098_100020667443 [1,1,0,0,0,0|1,0,1]=4 275 B10R1.66 O=C([O-])CSc1ccco1 62a_100020667443_100009814098 [1,1,0,0,0,0|1,0,1]=4 276 B10R1.66 [13CH3]C(=O)C=Cc1c[nH]cn1 1458a_100102678534_200025704644 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [1,1,0,0,0,0|0,1,0]=3 278 B10R1.66 [13CH3]C(=O)C=Cc1ccoc1 1458a_100000238621_200025704644 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.66 [13CH3]C(=O)C=Cc1ccsc1 1458a_100000698588_200025704644 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.66 [13CH3]C(=O)C=Cc1cscn1 1458a_200000747928_200025704644 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.66 [13CH3]C(=O)C=Cc1nccs1 1458a_100102558208_200025704644 [1,1,0,0,0,0|1,1,0]=4 282 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [1,1,0,0,0,0|0,0,2]=4 283 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [0,1,0,0,0,1|2,0,0]=4 284 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [0,1,0,0,0,1|2,0,0]=4 285 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [0,1,0,0,0,1|1,0,0]=3 286 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [0,1,0,0,0,1|2,0,0]=4 287 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [0,1,0,0,0,1|2,0,0]=4 288 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [0,1,0,0,0,1|2,0,0]=4 289 B12R1.21 CC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200000210301 [0,1,0,0,0,1|2,0,0]=4 290 B12R1.21 CC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200000210301 [0,1,0,0,0,1|2,0,0]=4 291 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [0,1,0,0,0,1|1,0,0]=3 292 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [0,1,0,0,0,1|2,0,0]=4 293 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [0,1,0,0,0,1|2,0,0]=4 294 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [0,1,0,0,0,1|2,0,0]=4 295 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [0,1,0,0,0,1|2,0,0]=4 296 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200025704644 [0,1,0,0,0,1|2,0,0]=4 297 B12R1.21 [13CH3]C(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200025704644 [0,1,0,0,0,1|2,0,0]=4 298 B12R1.69 Cc1cc(=O)c(co1)OCC=O 34a_100000081520_200009817547 [0,1,0,0,0,1|1,0,1]=4 299 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_100016291818_200000210301 [0,1,0,0,0,1|1,0,0]=3 300 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_200000210301_100016291818 [0,1,0,0,0,1|1,0,0]=3 301 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_100016291818_200025704644 [0,1,0,0,0,1|1,0,0]=3 302 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_200025704644_100016291818 [0,1,0,0,0,1|1,0,0]=3 303 B12R1.100 Cc1cc(=O)cc(o1)OCC=O 34a_100016989201_200009817547 [0,1,0,0,0,1|1,0,1]=4 304 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [0,1,0,0,0,1|2,0,0]=4 305 B12R1.226 CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000210301 [0,1,0,0,0,1|2,0,0]=4 306 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [0,1,0,0,0,1|1,0,0]=3 307 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000210301 [0,1,0,0,0,1|2,0,0]=4 308 B12R1.226 CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000210301 [0,1,0,0,0,1|2,0,0]=4 309 B12R1.226 CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000210301 [0,1,0,0,0,1|2,0,0]=4 310 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [0,1,0,0,0,1|1,0,0]=3 311 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200025704644 [0,1,0,0,0,1|2,0,0]=4 312 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200025704644 [0,1,0,0,0,1|2,0,0]=4 313 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)F 1458a_100000718793_200025704644 [0,1,0,0,0,1|2,0,0]=4 314 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)I 1458a_100020647043_200025704644 [0,1,0,0,0,1|2,0,0]=4 315 B12R1.29 CC=NNC(=O)c1ccc(o1)C 4a_100000189940_200000210099 [0,2,0,0,0,0|2,0,0]=4 316 B12R1.103 CC(=O)CC(=O)c1ccc(s1)C 1458a_100000070787_100011262362 [0,2,0,0,0,0|0,1,1]=4 317 B12R1.7 C/C=C/CNCc1ccc(o1)C 34a_100011194323_100102629194 [0,2,0,0,0,0|1,0,1]=4 318 B12R1.7 C/C=C/COCc1ccc(o1)C 34a_100011232665_100102629194 [0,2,0,0,0,0|1,0,1]=4 319 B12R1.7 C/C=C/COCc1ccc(o1)C 7a_100011232665_100102629194 [0,2,0,0,0,0|1,0,1]=4 320 B12R1.7 CC=CCNCc1ccc(o1)C 34a_100011194323_100000070051 [0,2,0,0,0,0|1,0,1]=4 321 B12R1.7 CC=CCOCc1ccc(o1)C 34a_100011232665_100000070051 [0,2,0,0,0,0|1,0,1]=4 322 B12R1.7 CC=CCOCc1ccc(o1)C 7a_100011232665_100000070051 [0,2,0,0,0,0|1,0,1]=4 323 B12R1.7 Cc1ccc(o1)CCNCC=O 2230a_100000739271_200015260668 [0,2,0,0,0,0|0,0,2]=4 324 B12R1.7 Cc1ccc(o1)CCNCC=O 34a_100000739271_200009817547 [0,2,0,0,0,0|0,0,2]=4 325 B12R1.7 Cc1ccc(o1)CCOCC=O 34a_100012161071_200009817547 [0,2,0,0,0,0|0,0,2]=4 326 B12R1.7 Cc1ccc(o1)CCOCC=O 7a_100012161071_200015260668 [0,2,0,0,0,0|0,0,2]=4 327 B12R1.26 C=CC(=O)NCc1ccc(o1)C 1626a_100011194323_100000185746 [0,2,0,0,0,0|1,0,1]=4 328 B12R1.26 C=CC(=O)NCc1ccc(o1)C 240690a_100011194323_200121576911 [0,2,0,0,0,0|1,0,1]=4 329 B12R1.26 CCC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_100000210202 [0,2,0,0,0,0|1,0,0]=3 330 B12R1.26 CCC(=O)C=Cc1ccc(o1)C 1458a_100000183563_100000210202 [0,2,0,0,0,0|0,0,0]=2 331 B12R1.26 CCC(=O)C=Cc1ccc(o1)I 1458a_100000679848_100000210202 [0,2,0,0,0,0|1,0,0]=3 332 B12R1.26 CCC(=O)C=Cc1ccc(o1)I 6a_100000186757_100000211110 [0,2,0,0,0,0|1,0,0]=3 333 B12R1.26 CCC(=O)C=Cc1ccc(s1)Br 1458a_100102558031_100000210202 [0,2,0,0,0,0|1,1,0]=4 334 B12R1.26 CCC(=O)C=Cc1ccc(s1)C 1458a_100102558089_100000210202 [0,2,0,0,0,0|0,1,0]=3 335 B12R1.26 CCC(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_100000210202 [0,2,0,0,0,0|1,1,0]=4 336 B12R1.26 CCC(=O)C=Cc1nc(cs1)C 6a_100000756994_100000211110 [0,2,0,0,0,0|2,0,0]=4 337 B12R1.26 CCC(=O)C=Cc1ncc(s1)C 6a_100011361622_100000211110 [0,2,0,0,0,0|1,1,0]=4 338 B12R1.26 CCC(=O)NCc1ccc(o1)C 11a_100011194323_100000210414 [0,2,0,0,0,0|1,0,1]=4 339 B12R1.26 CCC(=O)NCc1ccc(o1)C 1626a_100011194323_100000210414 [0,2,0,0,0,0|1,0,1]=4 340 B12R1.26 CCC(=O)NCc1ccc(o1)C 240690a_100011194323_100000210414 [0,2,0,0,0,0|1,0,1]=4 341 B12R1.26 CCC(=O)NCc1ccc(o1)C 527a_100011194323_100000210414 [0,2,0,0,0,0|1,0,1]=4 342 B12R1.26 CNC(=O)C=Cc1ccc(o1)Br 11a_106832991635_100000182240 [0,2,0,0,0,0|1,0,0]=3 343 B12R1.26 CNC(=O)C=Cc1ccc(o1)Br 240690a_100102657272_100000182240 [0,2,0,0,0,0|1,0,0]=3 344 B12R1.26 CNC(=O)C=Cc1ccc(o1)C 11a_106832991635_100000183563 [0,2,0,0,0,0|0,0,0]=2 345 B12R1.26 CNC(=O)C=Cc1ccc(o1)C 1626a_100102657272_100000183563 [0,2,0,0,0,0|0,0,0]=2 346 B12R1.26 CNC(=O)C=Cc1ccc(o1)C 240690a_100102657272_100000183563 [0,2,0,0,0,0|0,0,0]=2 347 B12R1.26 CNC(=O)C=Cc1ccc(o1)C 527a_100102657272_100000183563 [0,2,0,0,0,0|0,0,0]=2 348 B12R1.26 CNC(=O)C=Cc1ccc(o1)I 11a_106832991635_100000679848 [0,2,0,0,0,0|1,0,0]=3 349 B12R1.26 CNC(=O)C=Cc1ccc(o1)I 1626a_100102657272_100000679848 [0,2,0,0,0,0|1,0,0]=3 350 B12R1.26 CNC(=O)C=Cc1ccc(o1)I 240690a_100102657272_100000679848 [0,2,0,0,0,0|1,0,0]=3 351 B12R1.26 CNC(=O)C=Cc1ccc(s1)Br 11a_106832991635_100102558031 [0,2,0,0,0,0|1,1,0]=4 352 B12R1.26 CNC(=O)C=Cc1ccc(s1)Br 1626a_100102657272_100102558031 [0,2,0,0,0,0|1,1,0]=4 353 B12R1.26 CNC(=O)C=Cc1ccc(s1)Br 240690a_100102657272_100102558031 [0,2,0,0,0,0|1,1,0]=4 354 B12R1.26 CNC(=O)C=Cc1ccc(s1)C 11a_106832991635_100102558089 [0,2,0,0,0,0|0,1,0]=3 355 B12R1.26 CNC(=O)C=Cc1ccc(s1)C 1626a_100102657272_100102558089 [0,2,0,0,0,0|0,1,0]=3 356 B12R1.26 CNC(=O)C=Cc1ccc(s1)C 240690a_100102657272_100102558089 [0,2,0,0,0,0|0,1,0]=3 357 B12R1.26 CNC(=O)C=Cc1ccc(s1)Cl 11a_106832991635_100102558157 [0,2,0,0,0,0|1,1,0]=4 358 B12R1.26 CNC(=O)C=Cc1ccc(s1)Cl 1626a_100102657272_100102558157 [0,2,0,0,0,0|1,1,0]=4 359 B12R1.26 CNC(=O)C=Cc1ccc(s1)Cl 240690a_100102657272_100102558157 [0,2,0,0,0,0|1,1,0]=4 360 B12R1.26 CNC(=O)NCc1ccc(o1)C 2708a_100011194323_106832991635 [0,2,0,0,0,0|1,0,1]=4 361 B12R1.26 CNC(=O)NCc1ccc(o1)C 2708a_100102657272_100011194323 [0,2,0,0,0,0|1,0,1]=4 362 B12R1.26 CNC(=O)NCc1ccc(o1)C 273464a_100011194323_100102657272 [0,2,0,0,0,0|1,0,1]=4 363 B12R1.26 CNC(=O)NCc1ccc(o1)C 512a_100011194323_100102657272 [0,2,0,0,0,0|1,0,1]=4 364 B12R1.26 CNC(=O)NCc1ccc(o1)C 512a_106832991638_100011194323 [0,2,0,0,0,0|1,0,1]=4 365 B12R1.26 COC(=O)/C=C/c1ccc(o1)O 271570a_203496583355_100000150861 [0,2,0,0,0,0|1,0,0]=3 366 B12R1.26 Cc1ccc(o1)C=CC(=O)CF 1458a_100000183563_100015361967 [0,2,0,0,0,0|0,0,0]=2 367 B12R1.26 Cc1ccc(o1)CNC(=O)CO 240690a_100011194323_100000210174 [0,2,0,0,0,0|1,0,1]=4 368 B12R1.26 Cc1ccc(o1)CNC(=O)CO 527a_100011194323_100000210174 [0,2,0,0,0,0|1,0,1]=4 369 B12R1.26 Cc1ccc(s1)C=CC(=O)CF 1458a_100102558089_100015361967 [0,2,0,0,0,0|0,1,0]=3 370 B12R1.26 Cc1cnc(s1)C=CC(=O)CBr 6a_100011361622_100009888967 [0,2,0,0,0,0|1,1,0]=4 371 B12R1.26 Cc1cnc(s1)C=CC(=O)CCl 6a_100011361622_100000086384 [0,2,0,0,0,0|1,1,0]=4 372 B12R1.26 Cc1cnc(s1)C=CC(=O)CF 6a_100011361622_100000764096 [0,2,0,0,0,0|1,1,0]=4 373 B12R1.26 Cc1csc(n1)C=CC(=O)CBr 6a_100000756994_100009888967 [0,2,0,0,0,0|2,0,0]=4 374 B12R1.26 Cc1csc(n1)C=CC(=O)CCl 6a_100000756994_100000086384 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.26 Cc1csc(n1)C=CC(=O)CF 6a_100000756994_100000764096 [0,2,0,0,0,0|2,0,0]=4 376 B12R1.26 O=C(C=Cc1ccc(o1)Br)CF 1458a_100000182240_100015361967 [0,2,0,0,0,0|1,0,0]=3 377 B12R1.26 O=C(C=Cc1ccc(o1)I)CBr 6a_100000186757_100009888967 [0,2,0,0,0,0|1,0,0]=3 378 B12R1.26 O=C(C=Cc1ccc(o1)I)CCl 6a_100000186757_100000086384 [0,2,0,0,0,0|1,0,0]=3 379 B12R1.26 O=C(C=Cc1ccc(o1)I)CF 1458a_100000679848_100015361967 [0,2,0,0,0,0|1,0,0]=3 380 B12R1.26 O=C(C=Cc1ccc(o1)I)CF 6a_100000186757_100000764096 [0,2,0,0,0,0|1,0,0]=3 381 B12R1.26 O=C(C=Cc1ccc(s1)Br)CF 1458a_100102558031_100015361967 [0,2,0,0,0,0|1,1,0]=4 382 B12R1.26 O=C(C=Cc1ccc(s1)Cl)CF 1458a_100102558157_100015361967 [0,2,0,0,0,0|1,1,0]=4 383 B12R1.31 Cc1ccc(o1)CN(C)CC=O 2230a_100000184526_200015260668 [0,2,0,0,0,0|0,0,2]=4 384 B12R1.31 Cc1ccc(o1)CN(C)CC=O 269982a_100000184526_200015260668 [0,2,0,0,0,0|0,0,2]=4 385 B12R1.31 Cc1ccc(o1)CN(C)CC=O 34a_100000184526_200009817547 [0,2,0,0,0,0|0,0,2]=4 386 B12R1.105 CC(=O)NCCc1ccc(o1)C 11a_100000739271_100015343762 [0,2,0,0,0,0|0,0,2]=4 387 B12R1.105 CC(=O)NCCc1ccc(o1)C 1626a_100000739271_100015343762 [0,2,0,0,0,0|0,0,2]=4 388 B12R1.105 CC(=O)NCCc1ccc(o1)C 527a_100000739271_100103153847 [0,2,0,0,0,0|0,0,2]=4 389 B12R1.105 CC(=O)NN=Cc1ccc([nH]1)C 4a_100000189765_100000050815 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.105 CC(=O)NN=Cc1ccc(o1)Br 4a_100000189765_100000185145 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.105 CC(=O)NN=Cc1ccc(o1)C 4a_100000189765_100000183696 [0,2,0,0,0,0|1,0,0]=3 392 B12R1.105 CC(=O)NN=Cc1ccc(o1)Cl 4a_100000189765_100000188459 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.105 CC(=O)NN=Cc1ccc(o1)I 4a_100000189765_100000186757 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.105 CC(=O)NN=Cc1ccc(s1)C 4a_100000189765_100000211121 [0,2,0,0,0,0|1,1,0]=4 395 B12R1.105 CC(=O)NN=Cc1cnc(o1)C 4a_100000189765_100000084308 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.105 Cc1ccc(o1)CNCC(=O)N 34a_100011194323_100000187820 [0,2,0,0,0,0|0,0,2]=4 397 B12R1.105 Cc1ccc(o1)CNCC(=O)[O-] 34a_100011194323_100020667443 [0,2,0,0,0,0|0,0,2]=4 398 B12R1.105 Cc1ccc(o1)COCC(=O)N 34a_100011232665_100000187820 [0,2,0,0,0,0|0,0,2]=4 399 B12R1.105 Cc1ccc(o1)COCC(=O)N 7a_100011232665_100000187820 [0,2,0,0,0,0|0,0,2]=4 400 B12R1.105 Cc1ccc(o1)COCC(=O)[O-] 34a_100011232665_100020667443 [0,2,0,0,0,0|0,0,2]=4 401 B12R1.455 C/C=C/CSc1ccc(o1)CN 62a_100102629194_100000708654 [0,2,0,0,0,0|1,0,1]=4 402 B12R1.455 C/C=C/CSc1ccc(o1)CO 62a_100000246276_100102629194 [0,2,0,0,0,0|1,0,1]=4 403 B12R1.455 C/C=C/CSc1ccc(o1)CO 62a_100102629194_100000246276 [0,2,0,0,0,0|1,0,1]=4 404 B12R1.455 CC=CCSc1ccc(o1)CN 62a_100000070051_100000708654 [0,2,0,0,0,0|1,0,1]=4 405 B12R1.455 CC=CCSc1ccc(o1)CO 62a_100000070051_100000246276 [0,2,0,0,0,0|1,0,1]=4 406 B12R1.455 CC=CCSc1ccc(o1)CO 62a_100000246276_100000070051 [0,2,0,0,0,0|1,0,1]=4 407 B12R1.455 CCCC=Cc1ccc(o1)CN 271570a_100016258520_100000708654 [0,2,0,0,0,0|1,0,1]=4 408 B12R1.455 CCCC=Cc1ccc(o1)CO 271570a_100016258520_100000246276 [0,2,0,0,0,0|1,0,1]=4 409 B12R1.455 CCOC=Cc1ccc(o1)CN 271570a_100016256518_100000708654 [0,2,0,0,0,0|1,0,1]=4 410 B12R1.455 CCOC=Cc1ccc(o1)CO 271570a_100016256518_100000246276 [0,2,0,0,0,0|1,0,1]=4 411 B12R1.455 COCC=Cc1ccc(o1)CN 271570a_100016286323_100000708654 [0,2,0,0,0,0|0,0,2]=4 412 B12R1.455 COCC=Cc1ccc(o1)CO 271570a_100016286323_100000246276 [0,2,0,0,0,0|0,0,2]=4 413 B12R1.104 CC(=O)N(C)Cc1ccc(o1)C 1626a_100000184526_100015343762 [0,2,0,0,0,0|1,0,1]=4 414 B12R1.104 CC(=O)N(C)Cc1ccc(o1)C 527a_100000184526_100103153847 [0,2,0,0,0,0|1,0,1]=4 415 B12R1.59 CC(=O)C=Cc1cc(cs1)CO 1458a_100016256208_200000210301 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.59 CC(C)C=Cc1ccc(o1)CN 271570a_100016257149_100000708654 [0,2,0,0,0,0|1,0,1]=4 417 B12R1.59 CC(C)C=Cc1ccc(o1)CO 271570a_100016257149_100000246276 [0,2,0,0,0,0|1,0,1]=4 418 B12R1.59 CC(O)C=Cc1ccc(o1)CN 271570a_200011019289_100000708654 [0,2,0,0,0,0|0,0,2]=4 419 B12R1.59 CC(O)C=Cc1ccc(o1)CO 271570a_200011019289_100000246276 [0,2,0,0,0,0|0,0,2]=4 420 B12R1.59 NC(=O)CSc1ccc(o1)CO 62a_100000246276_100000747473 [0,2,0,0,0,0|1,0,1]=4 421 B12R1.59 NC(=O)CSc1ccc(o1)CO 62a_100000747473_100000246276 [0,2,0,0,0,0|1,0,1]=4 422 B12R1.59 NCc1ccc(o1)SCC(=O)N 62a_100000747473_100000708654 [0,2,0,0,0,0|1,0,1]=4 423 B12R1.59 NCc1ccc(o1)SCC(=O)[O-] 62a_100020667443_100000708654 [0,2,0,0,0,0|1,0,1]=4 424 B12R1.59 O=C([O-])CSc1ccc(o1)CO 62a_100000246276_100020667443 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.59 O=C([O-])CSc1ccc(o1)CO 62a_100020667443_100000246276 [0,2,0,0,0,0|1,0,1]=4 426 B12R1.59 [13CH3]C(=O)C=Cc1cc(cs1)CO 1458a_100016256208_200025704644 [0,2,0,0,0,0|2,0,0]=4 427 B12R1.337 CC(=O)c1ccc(o1)SCC=O 62a_200015260668_100000229899 [0,2,0,0,0,0|1,0,1]=4 428 B12R1.337 O=CCSc1ccc(o1)C(F)F 62a_200015260668_100010688628 [0,2,0,0,0,0|1,0,1]=4 429 B12R1.340 CNCc1ccc(o1)SCC=O 62a_200015260668_100000207588 [0,2,0,0,0,0|1,0,1]=4 430 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [0,0,1,1,0,0|2,0,0]=4 431 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [0,0,1,1,0,0|1,0,1]=4 432 B10R1.10 CC=Cc1cccc(n1)C 271570a_100016259895_100000742759 [0,0,1,1,0,0|2,0,0]=4 433 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [0,0,1,1,0,0|0,0,2]=4 434 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [0,0,1,1,0,0|2,0,0]=4 435 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [0,0,1,1,0,0|2,0,0]=4 436 B10R1.39 C=C(C)c1ccoc1C=O 271570a_100000694244_100000756499 [0,0,1,1,0,0|2,0,0]=4 437 B10R1.39 C=C(C)c1ccsc1C=O 271570a_100000694244_100000766043 [0,0,1,1,0,0|2,0,0]=4 438 B10R1.39 C=C(C)c1cscc1C=O 271570a_100000694244_100000685484 [0,0,1,1,0,0|2,0,0]=4 439 B10R1.39 C=C(C)c1sccc1C=O 271570a_100000694244_100009816921 [0,0,1,1,0,0|2,0,0]=4 440 B10R1.61 C=C(C)c1c[nH]ccc1=O 271570a_100000694244_100009998708 [0,0,1,1,0,0|2,0,0]=4 441 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [0,0,1,1,0,0|2,0,0]=4 442 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [0,0,1,1,0,0|2,0,0]=4 443 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [0,0,1,1,0,0|2,0,0]=4 444 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [0,0,1,1,0,0|2,0,0]=4 445 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [0,0,1,1,0,0|2,0,0]=4 446 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [0,0,1,1,0,0|2,0,0]=4 447 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [0,0,1,1,0,0|1,0,1]=4 448 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [0,0,1,1,0,0|1,0,1]=4 449 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,0,1,1,0,0|1,0,1]=4 450 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [0,0,1,1,0,0|1,0,1]=4 451 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [0,0,1,1,0,0|1,0,1]=4 452 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [0,0,1,1,0,0|1,0,1]=4 453 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,0,1,1,0,0|0,0,2]=4 454 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,0,1,1,0,0|0,0,2]=4 455 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [0,0,1,1,0,0|0,0,2]=4 456 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [0,0,1,1,0,0|0,0,2]=4 457 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,0,1,1,0,0|1,0,1]=4 458 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [0,0,1,1,0,0|1,0,1]=4 459 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [0,0,1,1,0,0|1,0,1]=4 460 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [0,0,1,1,0,0|1,0,1]=4 461 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [0,0,1,1,0,0|1,0,1]=4 462 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,0,1,1,0,0|0,0,2]=4 463 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [0,0,1,1,0,0|0,0,2]=4 464 B10R1.8 Cc1cc(cc(c1)C=O)O 271570a_203496583355_100000686105 [0,0,1,1,0,0|2,0,0]=4 465 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [0,0,1,1,0,0|2,0,0]=4 466 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [0,0,1,1,0,0|2,0,0]=4 467 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [0,0,1,1,0,0|2,0,0]=4 468 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [0,0,1,1,0,0|2,0,0]=4 469 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [0,0,1,1,0,0|2,0,0]=4 470 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [0,0,1,1,0,0|1,0,0]=3 471 B10R1.4 CC=Cc1ccncc1O 271570a_100016259895_100009817591 [0,0,1,1,0,0|2,0,0]=4 472 B10R1.4 CC=Cc1ncccc1Br 271570a_100016259895_100000696092 [0,0,1,1,0,0|2,0,0]=4 473 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [0,0,1,1,0,0|2,0,0]=4 474 B10R1.4 CC=Cc1ncccc1Cl 271570a_100016259895_100011356963 [0,0,1,1,0,0|2,0,0]=4 475 B10R1.4 CC=Cc1ncccc1F 271570a_100016259895_100000685392 [0,0,1,1,0,0|2,0,0]=4 476 B10R1.4 CC=Cc1ncccc1N 271570a_100016259895_100000688686 [0,0,1,1,0,0|2,0,0]=4 477 B10R1.4 CC=Cc1ncccc1O 271570a_100016259895_100000034122 [0,0,1,1,0,0|1,0,0]=3 478 B10R1.30 C=Cc1cc(ccc1Br)O 271570a_100011290941_100012339312 [0,0,1,1,0,0|1,0,1]=4 479 B10R1.30 C=Cc1cc(ccc1C)Br 271570a_100011290941_100011344865 [0,0,1,1,0,0|2,0,0]=4 480 B10R1.30 C=Cc1cc(ccc1C)C 271570a_100011290941_100000210833 [0,0,1,1,0,0|2,0,0]=4 481 B10R1.30 C=Cc1cc(ccc1C)Cl 271570a_100011290941_100011263213 [0,0,1,1,0,0|2,0,0]=4 482 B10R1.30 C=Cc1cc(ccc1C)F 271570a_100011290941_100011218078 [0,0,1,1,0,0|2,0,0]=4 483 B10R1.30 C=Cc1cc(ccc1C)N 271570a_100011290941_100000736455 [0,0,1,1,0,0|2,0,0]=4 484 B10R1.30 C=Cc1cc(ccc1C)O 271570a_100011290941_100011380479 [0,0,1,1,0,0|1,0,0]=3 485 B10R1.30 C=Cc1cc(ccc1Cl)O 271570a_100011290941_100000049588 [0,0,1,1,0,0|1,0,1]=4 486 B10R1.30 C=Cc1cc(ccc1F)O 271570a_100011290941_100000693481 [0,0,1,1,0,0|1,0,1]=4 487 B10R1.30 C=Cc1cc(ccc1N)O 271570a_100011290941_100012001276 [0,0,1,1,0,0|1,0,1]=4 488 B10R1.30 C=Cc1cc(ccc1O)O 271570a_100011290941_100009813629 [0,0,1,1,0,0|0,0,2]=4 489 B10R1.30 C=Cc1cc(cnc1C)O 271570a_100011290941_100009819603 [0,0,1,1,0,0|2,0,0]=4 490 B10R1.30 C=Cc1cc(ncc1C)O 271570a_100011290941_100009831917 [0,0,1,1,0,0|2,0,0]=4 491 B10R1.30 CCc1cc(ccc1Br)O 271570a_203496583355_100010244631 [0,0,1,1,0,0|1,0,1]=4 492 B10R1.30 CCc1cc(ccc1F)O 271570a_203496583355_100010244625 [0,0,1,1,0,0|1,0,1]=4 493 B10R1.30 CCc1cc(ccc1N)O 271570a_203496583355_100000686106 [0,0,1,1,0,0|1,0,1]=4 494 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [0,0,1,1,0,0|0,0,2]=4 495 B10R1.30 CCn1cc(ccc1=O)O 271570a_203496583355_100000231005 [0,0,1,1,0,0|1,0,1]=4 496 B10R1.30 CNc1cc(ccc1Br)O 34a_100011999798_200000210301 [0,0,1,1,0,0|2,0,0]=4 497 B10R1.30 CNc1cc(ccc1C)O 271570a_203496583355_100020629602 [0,0,1,1,0,0|2,0,0]=4 498 B10R1.30 CNc1cc(ccc1C)O 34a_100011216113_200000210301 [0,0,1,1,0,0|2,0,0]=4 499 B10R1.30 CNc1cc(ccc1Cl)O 34a_100011934297_200000210301 [0,0,1,1,0,0|2,0,0]=4 500 B10R1.30 CNc1cc(ccc1F)O 271570a_203496583355_100011314990 [0,0,1,1,0,0|2,0,0]=4 501 B10R1.30 CNc1cc(ccc1F)O 34a_100012017239_200000210301 [0,0,1,1,0,0|2,0,0]=4 502 B10R1.30 CNc1cc(ccc1N)O 271570a_203496583355_100000694363 [0,0,1,1,0,0|2,0,0]=4 503 B10R1.30 COc1cc(c[nH]c1=O)O 271570a_203496583355_100010125397 [0,0,1,1,0,0|2,0,0]=4 504 B10R1.30 COc1cc(ccc1Br)O 271570a_203496583355_100012353699 [0,0,1,1,0,0|2,0,0]=4 505 B10R1.30 COc1cc(ccc1C)O 271570a_203496583355_100011830276 [0,0,1,1,0,0|2,0,0]=4 506 B10R1.30 COc1cc(ccc1Cl)O 271570a_203496583355_100011356853 [0,0,1,1,0,0|2,0,0]=4 507 B10R1.30 COc1cc(ccc1F)O 271570a_203496583355_100011934186 [0,0,1,1,0,0|2,0,0]=4 508 B10R1.30 COc1cc(ccc1N)O 271570a_203496583355_100011279103 [0,0,1,1,0,0|2,0,0]=4 509 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [0,0,1,1,0,0|1,0,1]=4 510 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [0,0,1,1,0,0|1,0,1]=4 511 B10R1.30 CSc1cc(ccc1Br)O 62a_100012339312_200000210301 [0,0,1,1,0,0|2,0,0]=4 512 B10R1.30 CSc1cc(ccc1Br)O 62a_200000210301_100012339312 [0,0,1,1,0,0|2,0,0]=4 513 B10R1.30 CSc1cc(ccc1C)O 62a_100011380479_200000210301 [0,0,1,1,0,0|2,0,0]=4 514 B10R1.30 CSc1cc(ccc1C)O 62a_200000210301_100011380479 [0,0,1,1,0,0|2,0,0]=4 515 B10R1.30 CSc1cc(ccc1Cl)O 62a_100000049588_200000210301 [0,0,1,1,0,0|2,0,0]=4 516 B10R1.30 CSc1cc(ccc1Cl)O 62a_200000210301_100000049588 [0,0,1,1,0,0|2,0,0]=4 517 B10R1.30 CSc1cc(ccc1F)O 271570a_203496583355_100010341305 [0,0,1,1,0,0|2,0,0]=4 518 B10R1.30 CSc1cc(ccc1F)O 62a_100000693481_200000210301 [0,0,1,1,0,0|2,0,0]=4 519 B10R1.30 CSc1cc(ccc1F)O 62a_200000210301_100000693481 [0,0,1,1,0,0|2,0,0]=4 520 B10R1.30 CSc1cc(ccc1N)O 62a_100012001276_200000210301 [0,0,1,1,0,0|2,0,0]=4 521 B10R1.30 CSc1cc(ccc1N)O 62a_200000210301_100012001276 [0,0,1,1,0,0|2,0,0]=4 522 B10R1.30 CSc1cc(ccc1O)O 62a_200000210301_100009813629 [0,0,1,1,0,0|1,0,1]=4 523 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [0,0,1,1,0,0|2,0,0]=4 524 B10R1.30 Cc1ccc(cc1C#N)O 271570a_203496583355_100000698047 [0,0,1,1,0,0|1,0,1]=4 525 B10R1.30 Cc1ccc(cc1C=O)O 271570a_203496583355_100011361606 [0,0,1,1,0,0|0,0,0]=2 526 B10R1.30 Cc1ccc(cc1CO)O 271570a_203496583355_100000700630 [0,0,1,1,0,0|0,0,2]=4 527 B10R1.30 Cc1ccc(cc1N[13CH3])O 34a_100011216113_200025704644 [0,0,1,1,0,0|2,0,0]=4 528 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_100011380479_200025704644 [0,0,1,1,0,0|2,0,0]=4 529 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_200025704644_100011380479 [0,0,1,1,0,0|2,0,0]=4 530 B10R1.30 Nc1ccc(cc1C=O)O 271570a_203496583355_100011935258 [0,0,1,1,0,0|1,0,0]=3 531 B10R1.30 Nc1ncc(cc1C=O)O 271570a_203496583355_100009814808 [0,0,1,1,0,0|2,0,0]=4 532 B10R1.30 O=Cc1cc(ccc1Br)O 271570a_203496583355_100010185652 [0,0,1,1,0,0|1,0,0]=3 533 B10R1.30 O=Cc1cc(ccc1Cl)O 271570a_203496583355_100010254384 [0,0,1,1,0,0|1,0,0]=3 534 B10R1.30 O=Cc1cc(ccc1F)O 271570a_203496583355_100000211465 [0,0,1,1,0,0|1,0,0]=3 535 B10R1.30 O=Cc1cc(ccc1O)Br 271570a_203496583355_100010185651 [0,0,1,1,0,0|2,0,0]=4 536 B10R1.30 O=Cc1cc(ccc1O)Cl 271570a_203496583355_100010254386 [0,0,1,1,0,0|2,0,0]=4 537 B10R1.30 O=Cc1cc(ccc1O)F 271570a_203496583355_100011218309 [0,0,1,1,0,0|2,0,0]=4 538 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000186750 [0,0,1,1,0,0|1,0,0]=3 539 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000690577 [0,0,1,1,0,0|1,0,0]=3 540 B10R1.30 O=Cc1cc(cnc1F)O 271570a_203496583355_100009814789 [0,0,1,1,0,0|2,0,0]=4 541 B10R1.30 O=Cc1cc(ncc1F)O 271570a_203496583355_100000707870 [0,0,1,1,0,0|2,0,0]=4 542 B10R1.30 O=Cc1nc(ccc1F)O 271570a_203496583355_100009814804 [0,0,1,1,0,0|2,0,0]=4 543 B10R1.30 [13CH3]Nc1cc(ccc1Br)O 34a_100011999798_200025704644 [0,0,1,1,0,0|2,0,0]=4 544 B10R1.30 [13CH3]Nc1cc(ccc1Cl)O 34a_100011934297_200025704644 [0,0,1,1,0,0|2,0,0]=4 545 B10R1.30 [13CH3]Nc1cc(ccc1F)O 34a_100012017239_200025704644 [0,0,1,1,0,0|2,0,0]=4 546 B10R1.30 [13CH3]Sc1cc(ccc1Br)O 62a_100012339312_200025704644 [0,0,1,1,0,0|2,0,0]=4 547 B10R1.30 [13CH3]Sc1cc(ccc1Br)O 62a_200025704644_100012339312 [0,0,1,1,0,0|2,0,0]=4 548 B10R1.30 [13CH3]Sc1cc(ccc1Cl)O 62a_100000049588_200025704644 [0,0,1,1,0,0|2,0,0]=4 549 B10R1.30 [13CH3]Sc1cc(ccc1Cl)O 62a_200025704644_100000049588 [0,0,1,1,0,0|2,0,0]=4 550 B10R1.30 [13CH3]Sc1cc(ccc1F)O 62a_100000693481_200025704644 [0,0,1,1,0,0|2,0,0]=4 551 B10R1.30 [13CH3]Sc1cc(ccc1F)O 62a_200025704644_100000693481 [0,0,1,1,0,0|2,0,0]=4 552 B10R1.30 [13CH3]Sc1cc(ccc1N)O 62a_100012001276_200025704644 [0,0,1,1,0,0|2,0,0]=4 553 B10R1.30 [13CH3]Sc1cc(ccc1N)O 62a_200025704644_100012001276 [0,0,1,1,0,0|2,0,0]=4 554 B10R1.30 [13CH3]Sc1cc(ccc1O)O 62a_200025704644_100009813629 [0,0,1,1,0,0|1,0,1]=4 555 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [0,0,1,1,0,0|1,0,1]=4 556 B10R1.1 CC=Cc1ccc(=O)[nH]c1 271570a_100016259895_100000212171 [0,0,1,1,0,0|2,0,0]=4 557 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [0,0,1,1,0,0|2,0,0]=4 558 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [0,0,1,1,0,0|2,0,0]=4 559 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [0,0,1,1,0,0|2,0,0]=4 560 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [0,0,1,1,0,0|2,0,0]=4 561 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [0,0,1,1,0,0|2,0,0]=4 562 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [0,0,1,1,0,0|1,0,1]=4 563 B10R1.1 CCOc1ccc(=O)[nH]c1 34a_100000075641_100000210202 [0,0,1,1,0,0|1,0,1]=4 564 B10R1.1 CCOc1ccc(cc1)Br 34a_100000185759_100000210202 [0,0,1,1,0,0|1,0,1]=4 565 B10R1.1 CCOc1ccc(cc1)Br 7a_100000185759_100000210202 [0,0,1,1,0,0|1,0,1]=4 566 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [0,0,1,1,0,0|1,0,1]=4 567 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [0,0,1,1,0,0|1,0,1]=4 568 B10R1.1 CCOc1ccc(cc1)Cl 34a_100000210216_100000210202 [0,0,1,1,0,0|1,0,1]=4 569 B10R1.1 CCOc1ccc(cc1)Cl 7a_100000210216_100000210202 [0,0,1,1,0,0|1,0,1]=4 570 B10R1.1 CCOc1ccc(cc1)F 34a_100000210339_100000210202 [0,0,1,1,0,0|1,0,1]=4 571 B10R1.1 CCOc1ccc(cc1)I 34a_100000212066_100000210202 [0,0,1,1,0,0|1,0,1]=4 572 B10R1.1 CCOc1ccc(cc1)I 7a_100000212066_100000210202 [0,0,1,1,0,0|1,0,1]=4 573 B10R1.1 CCOc1ccc(cc1)N 34a_100000185829_100000210202 [0,0,1,1,0,0|1,0,1]=4 574 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [0,0,1,1,0,0|0,0,2]=4 575 B10R1.35 C=Cc1cc(c(s1)C=O)C 271570a_100011290941_100010221198 [0,0,1,1,0,0|2,0,0]=4 576 B10R1.35 C=Cc1nc(c(o1)C)C=O 271570a_100011290941_200010262729 [0,0,1,1,0,0|1,0,0]=3 577 B10R1.35 C=Cc1nc(c(s1)C=O)C 271570a_100011290941_100010339034 [0,0,1,1,0,0|2,0,0]=4 578 B10R1.172 C=Cc1cc(ccn1)C=O 271570a_100011290941_100011290808 [0,0,1,1,0,0|1,0,1]=4 579 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [0,0,1,1,0,0|1,0,1]=4 580 B10R1.172 C=Cc1ccnc(c1)C=O 271570a_100011290941_100011998288 [0,0,1,1,0,0|2,0,0]=4 581 B10R1.176 C=Cc1c[nH]c(=O)c(n1)C 271570a_100011290941_100010363809 [0,0,1,1,0,0|2,0,0]=4 582 B10R1.176 C=Cc1ccc(=O)n(c1)C 271570a_100011290941_100011245003 [0,0,1,1,0,0|2,0,0]=4 583 B10R1.176 C=Cc1ccc(=O)n(n1)C 271570a_100011290941_100009820752 [0,0,1,1,0,0|2,0,0]=4 584 B10R1.176 C=Cc1ccc(c(c1)C)Br 271570a_100011290941_100009813585 [0,0,1,1,0,0|2,0,0]=4 585 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [0,0,1,1,0,0|2,0,0]=4 586 B10R1.176 C=Cc1ccc(c(c1)C)Cl 271570a_100011290941_100000049509 [0,0,1,1,0,0|2,0,0]=4 587 B10R1.176 C=Cc1ccc(c(c1)C)F 271570a_100011290941_100011218330 [0,0,1,1,0,0|2,0,0]=4 588 B10R1.176 C=Cc1ccc(c(c1)C)N 271570a_100011290941_100000211769 [0,0,1,1,0,0|2,0,0]=4 589 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [0,0,1,1,0,0|1,0,1]=4 590 B10R1.176 C=Cc1ccc(c(n1)C)Br 271570a_100011290941_100012360386 [0,0,1,1,0,0|2,0,0]=4 591 B10R1.176 C=Cc1ccc(c(n1)C)C 271570a_100011290941_100000103781 [0,0,1,1,0,0|2,0,0]=4 592 B10R1.176 C=Cc1ccc(c(n1)C)F 271570a_100011290941_100009814307 [0,0,1,1,0,0|2,0,0]=4 593 B10R1.176 C=Cc1ccc(c(n1)C)N 271570a_100011290941_100000760127 [0,0,1,1,0,0|2,0,0]=4 594 B10R1.176 C=Cc1ccc(c(n1)C)O 271570a_100011290941_100010233687 [0,0,1,1,0,0|1,0,1]=4 595 B12R2.612 O=C1C=Cc2c1ccc(c2)O 271570a_203496583355_100010210589 [0,0,0,1,0,1|2,0,0]=4 596 B12R2.6 Cc1ccc(o1)c2c[nH]cn2 271570a_100000061910_100000756875 [0,1,0,1,0,0|1,0,0]=3 597 B12R2.6 Cc1ccc(o1)c2cc[nH]n2 271570a_100000061910_100000062575 [0,1,0,1,0,0|1,0,0]=3 598 B12R2.6 Cc1ccc(o1)c2ccco2 271570a_100000061910_100009814098 [0,1,0,1,0,0|0,0,1]=3 599 B12R2.6 Cc1ccc(o1)c2cccs2 271570a_100000061910_100011215356 [0,1,0,1,0,0|0,1,0]=3 600 B12R2.6 Cc1ccc(o1)c2ccoc2 271570a_100000061910_100011215275 [0,1,0,1,0,0|0,0,1]=3 601 B12R2.6 Cc1ccc(o1)c2ccsc2 271570a_100000061910_100000738268 [0,1,0,1,0,0|0,1,0]=3 602 B12R2.6 Cc1ccc(o1)c2ccsn2 271570a_100000061910_100009818082 [0,1,0,1,0,0|0,1,0]=3 603 B12R2.6 Cc1ccc(o1)c2cn[nH]c2 271570a_100000061910_100000238712 [0,1,0,1,0,0|2,0,0]=4 604 B12R2.6 Cc1ccc(o1)c2cnco2 271570a_100000061910_100020591547 [0,1,0,1,0,0|0,0,1]=3 605 B12R2.6 Cc1ccc(o1)c2cncs2 271570a_100000061910_100011934649 [0,1,0,1,0,0|0,1,0]=3 606 B12R2.6 Cc1ccc(o1)c2cnoc2 271570a_100000061910_100009815712 [0,1,0,1,0,0|1,0,1]=4 607 B12R2.6 Cc1ccc(o1)c2cnsc2 271570a_100000061910_100009815736 [0,1,0,1,0,0|1,1,0]=4 608 B12R2.6 Cc1ccc(o1)c2cscn2 271570a_100000061910_100000751502 [0,1,0,1,0,0|1,0,0]=3 609 B12R2.6 Cc1ccc(o1)c2nc[nH]n2 271570a_100000061910_100000761765 [0,1,0,1,0,0|2,0,0]=4 610 B12R2.6 Cc1ccc(o1)c2ncc[nH]2 271570a_100000061910_100025796157 [0,1,0,1,0,0|1,0,0]=3 611 B12R2.6 Cc1ccc(o1)c2ncco2 271570a_100000061910_100011787736 [0,1,0,1,0,0|0,0,1]=3 612 B12R2.6 Cc1ccc(o1)c2nccs2 271570a_100000061910_100000211983 [0,1,0,1,0,0|0,1,0]=3 613 B12R2.6 Cc1ccc(o1)c2ncns2 271570a_100000061910_100000693119 [0,1,0,1,0,0|1,1,0]=4 614 B12R2.6 Cc1ccc(o1)c2nncs2 271570a_100000061910_100000739804 [0,1,0,1,0,0|1,1,0]=4 615 B12R2.6 Cc1ccc(s1)c2c[nH]cn2 271570a_100011934456_100000756875 [0,1,0,1,0,0|1,1,0]=4 616 B12R2.6 Cc1ccc(s1)c2cc[nH]c2 271570a_100000102155_100000761539 [0,1,0,1,0,0|1,1,0]=4 617 B12R2.6 Cc1ccc(s1)c2cc[nH]n2 271570a_100000062414_100000761539 [0,1,0,1,0,0|1,1,0]=4 618 B12R2.6 Cc1ccc(s1)c2cc[nH]n2 271570a_100011934456_100000062575 [0,1,0,1,0,0|1,1,0]=4 619 B12R2.6 Cc1ccc(s1)c2ccco2 271570a_100000750936_100000761539 [0,1,0,1,0,0|0,1,1]=4 620 B12R2.6 Cc1ccc(s1)c2ccco2 271570a_100011934456_100009814098 [0,1,0,1,0,0|0,1,1]=4 621 B12R2.6 Cc1ccc(s1)c2cccs2 271570a_100000742291_100000761539 [0,1,0,1,0,0|0,2,0]=4 622 B12R2.6 Cc1ccc(s1)c2cccs2 271570a_100011934456_100011215356 [0,1,0,1,0,0|0,2,0]=4 623 B12R2.6 Cc1ccc(s1)c2ccoc2 271570a_100011218838_100000761539 [0,1,0,1,0,0|0,1,1]=4 624 B12R2.6 Cc1ccc(s1)c2ccoc2 271570a_100011934456_100011215275 [0,1,0,1,0,0|0,1,1]=4 625 B12R2.6 Cc1ccc(s1)c2ccsc2 271570a_100011934443_100000761539 [0,1,0,1,0,0|0,2,0]=4 626 B12R2.6 Cc1ccc(s1)c2ccsc2 271570a_100011934456_100000738268 [0,1,0,1,0,0|0,2,0]=4 627 B12R2.6 Cc1ccc(s1)c2ccsn2 271570a_100011934456_100009818082 [0,1,0,1,0,0|0,2,0]=4 628 B12R2.6 Cc1ccc(s1)c2cnco2 271570a_100011934456_100020591547 [0,1,0,1,0,0|0,1,1]=4 629 B12R2.6 Cc1ccc(s1)c2cncs2 271570a_100010231675_100000761539 [0,1,0,1,0,0|0,2,0]=4 630 B12R2.6 Cc1ccc(s1)c2cncs2 271570a_100011934456_100011934649 [0,1,0,1,0,0|0,2,0]=4 631 B12R2.6 Cc1ccc(s1)c2cscn2 271570a_100011934456_100000751502 [0,1,0,1,0,0|1,1,0]=4 632 B12R2.6 Cc1ccc(s1)c2ncc[nH]2 271570a_100011934456_100025796157 [0,1,0,1,0,0|1,1,0]=4 633 B12R2.6 Cc1ccc(s1)c2ncc[nH]2 271570a_100016988920_100000761539 [0,1,0,1,0,0|1,1,0]=4 634 B12R2.6 Cc1ccc(s1)c2ncco2 271570a_100011934456_100011787736 [0,1,0,1,0,0|0,1,1]=4 635 B12R2.6 Cc1ccc(s1)c2nccs2 271570a_100011934456_100000211983 [0,1,0,1,0,0|0,2,0]=4 636 B12R2.202 CC1=Cc2cccc(c2C1)O 271570a_203496583355_100010271545 [0,1,0,1,0,0|2,0,0]=4 637 B12R2.202 Cc1cc2c(cccc2[nH]1)O 271570a_203496583355_100010143266 [0,1,0,1,0,0|1,0,1]=4 638 B12R2.202 Cc1cc2c(ccnc2[nH]1)O 271570a_203496583355_100010202352 [0,1,0,1,0,0|1,0,1]=4 639 B12R2.202 Cc1nc2c(cccc2o1)O 271570a_203496583355_100010883239 [0,1,0,1,0,0|1,0,1]=4 640 B12R2.202 Cc1nc2cccc(c2o1)O 271570a_203496583355_100010168998 [0,1,0,1,0,0|2,0,0]=4 641 B12R2.606 Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100011214893 [0,1,0,1,0,0|1,0,1]=4 642 B12R2.606 Cc1cc2cc(ccc2s1)O 271570a_203496583355_100000695401 [0,1,0,1,0,0|0,1,1]=4 643 B12R2.606 Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100010196937 [0,1,0,1,0,0|2,0,0]=4 644 B12R2.606 Cc1cc2ncc(cc2[nH]1)O 271570a_203496583355_100010168555 [0,1,0,1,0,0|2,0,0]=4 645 B12R2.606 Cc1nc2cc(ccc2o1)O 271570a_203496583355_100009816932 [0,1,0,1,0,0|1,0,1]=4 646 B12R2.606 Cc1nc2ccc(cc2o1)O 271570a_203496583355_100010171164 [0,1,0,1,0,0|2,0,0]=4 647 B12R2.606 Cc1nc2ncc(cc2o1)O 271570a_203496583355_100010235748 [0,1,0,1,0,0|2,0,0]=4 648 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,1,0,1,0,0|1,0,0]=3 649 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,1,0,1,0,0|1,1,0]=4 650 B12R2.32 C=Cc1cc2ccccc2o1 271570a_100011290941_100010159458 [0,1,0,1,0,0|1,0,1]=4 651 B12R2.32 CSc1cc2ccccc2[nH]1 62a_200000210301_100010232065 [0,1,0,1,0,0|2,0,0]=4 652 B12R2.32 CSc1cc2ccccc2o1 62a_200000210301_100010159458 [0,1,0,1,0,0|1,0,0]=3 653 B12R2.32 CSc1cc2ccccc2s1 62a_200000210301_100009816949 [0,1,0,1,0,0|1,1,0]=4 654 B12R2.32 [13CH3]Sc1cc2ccccc2[nH]1 62a_200025704644_100010232065 [0,1,0,1,0,0|2,0,0]=4 655 B12R2.32 [13CH3]Sc1cc2ccccc2o1 62a_200025704644_100010159458 [0,1,0,1,0,0|1,0,0]=3 656 B12R2.32 [13CH3]Sc1cc2ccccc2s1 62a_200025704644_100009816949 [0,1,0,1,0,0|1,1,0]=4