0 B10R1.66 C=C(C)CSc1ccco1 62a_100000748629_100009814098 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.66 C=C(C)CSc1ccco1 62a_100009814098_100000211660 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.66 C=C(C)CSc1cccs1 62a_100000748629_100011215356 [0,0,0,0,0,0|2,1,1]=4 3 B10R1.66 C=C(C)CSc1cccs1 62a_100011215356_100000211660 [0,0,0,0,0,0|2,1,1]=4 4 B10R1.66 C=C(C)CSc1cnco1 62a_100000748629_100020591547 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.66 C=C(C)CSc1cnco1 62a_100020591547_100000211660 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.66 C=C(C)CSc1ncco1 62a_100000748629_100011787736 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.66 C=C(C)CSc1ncco1 62a_100011787736_100000211660 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.66 C=C(F)CSc1ccco1 62a_100000042424_100009814098 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.66 C=C(F)CSc1ccco1 62a_100009814098_100000042424 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.66 CC(=O)C=CC1=CCCC1 1458a_100016262312_200000210301 [0,0,0,0,0,0|1,0,2]=3 11 B10R1.66 CC(=O)C=Cc1c[nH]cn1 1458a_100102678534_200000210301 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [0,0,0,0,0,0|0,1,0]=1 13 B10R1.66 CC(=O)C=Cc1ccoc1 1458a_100000238621_200000210301 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.66 CC(=O)C=Cc1ccsc1 1458a_100000698588_200000210301 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.66 CC(=O)C=Cc1cscn1 1458a_200000747928_200000210301 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.66 CC(=O)C=Cc1nccs1 1458a_100102558208_200000210301 [0,0,0,0,0,0|1,1,0]=2 17 B10R1.66 CC(=O)CCc1c[nH]cn1 1458a_100000070787_100020628418 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,0,0,0,0,0|1,0,2]=3 20 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,0,0,0,0,0|0,0,2]=2 21 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,0,0,0,0,0|0,1,2]=3 22 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,0,0,0,0,0|0,1,2]=3 23 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [0,0,0,0,0,0|2,0,2]=4 24 B10R1.66 CC(=O)CCc1cnc[nH]1 1458a_100000044180_200000210301 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.66 CC(=O)CCc1cncs1 1458a_100012184922_200000210301 [0,0,0,0,0,0|1,1,2]=4 26 B10R1.66 CC(=O)CCc1ncc[nH]1 1458a_100000722789_200000210301 [0,0,0,0,0,0|2,0,2]=4 27 B10R1.66 CC(=O)CCc1nccs1 1458a_100000742873_200000210301 [0,0,0,0,0,0|1,1,2]=4 28 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [0,0,0,0,0,0|2,0,2]=4 29 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [0,0,0,0,0,0|2,0,2]=4 30 B10R1.66 CC(=O)CCn1cccn1 1458a_100000070787_100000685285 [0,0,0,0,0,0|2,0,2]=4 31 B10R1.66 CC(=O)CCn1cccn1 1458a_100000242649_200000210301 [0,0,0,0,0,0|2,0,2]=4 32 B10R1.66 CC(=O)NCc1c[nH]cn1 11a_100000758547_100015343762 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.66 CC(=O)NCc1c[nH]cn1 240690a_100000758547_100015343762 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.66 CC(=O)NCc1c[nH]cn1 527a_100000758547_100103153847 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.66 CC(=O)NCc1cc[nH]n1 11a_100000739516_100015343762 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.66 CC(=O)NCc1cc[nH]n1 240690a_100000739516_100015343762 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.66 CC(=O)NCc1cc[nH]n1 527a_100000739516_100103153847 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [0,0,0,0,0,0|2,0,1]=3 41 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [0,0,0,0,0,0|1,0,1]=2 42 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [0,0,0,0,0,0|1,0,1]=2 43 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [0,0,0,0,0,0|1,0,1]=2 44 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [0,0,0,0,0,0|1,0,1]=2 45 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [0,0,0,0,0,0|1,1,1]=3 46 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [0,0,0,0,0,0|1,1,1]=3 47 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [0,0,0,0,0,0|1,1,1]=3 48 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [0,0,0,0,0,0|1,1,1]=3 49 B10R1.66 CC(=O)NCc1ccoc1 11a_100015206860_100015343762 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.66 CC(=O)NCc1ccoc1 1626a_100015206860_100015343762 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.66 CC(=O)NCc1ccoc1 240690a_100015206860_100015343762 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.66 CC(=O)NCc1ccoc1 527a_100015206860_100103153847 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.66 CC(=O)NCc1ccon1 11a_100000688301_100015343762 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.66 CC(=O)NCc1ccon1 240690a_100000688301_100015343762 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.66 CC(=O)NCc1ccon1 527a_100000688301_100103153847 [0,0,0,0,0,0|3,0,1]=4 56 B10R1.66 CC(=O)NCc1ccsc1 11a_100000186416_100015343762 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.66 CC(=O)NCc1ccsc1 1626a_100000186416_100015343762 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.66 CC(=O)NCc1ccsc1 240690a_100000186416_100015343762 [0,0,0,0,0,0|3,0,1]=4 59 B10R1.66 CC(=O)NCc1ccsc1 527a_100000186416_100103153847 [0,0,0,0,0,0|3,0,1]=4 60 B10R1.66 CC(=O)NCc1cnco1 11a_100020634212_100015343762 [0,0,0,0,0,0|2,0,1]=3 61 B10R1.66 CC(=O)NCc1cnco1 240690a_100020634212_100015343762 [0,0,0,0,0,0|2,0,1]=3 62 B10R1.66 CC(=O)NCc1cnco1 527a_100020634212_100103153847 [0,0,0,0,0,0|2,0,1]=3 63 B10R1.66 CC(=O)NCc1cncs1 11a_100016987365_100015343762 [0,0,0,0,0,0|2,1,1]=4 64 B10R1.66 CC(=O)NCc1cncs1 240690a_100016987365_100015343762 [0,0,0,0,0,0|2,1,1]=4 65 B10R1.66 CC(=O)NCc1cncs1 527a_100016987365_100103153847 [0,0,0,0,0,0|2,1,1]=4 66 B10R1.66 CC(=O)NCc1cocn1 11a_100015188801_100015343762 [0,0,0,0,0,0|3,0,1]=4 67 B10R1.66 CC(=O)NCc1cocn1 240690a_100015188801_100015343762 [0,0,0,0,0,0|3,0,1]=4 68 B10R1.66 CC(=O)NCc1cocn1 527a_100015188801_100103153847 [0,0,0,0,0,0|3,0,1]=4 69 B10R1.66 CC(=O)NCc1cscn1 11a_100015185402_100015343762 [0,0,0,0,0,0|3,0,1]=4 70 B10R1.66 CC(=O)NCc1cscn1 1626a_100015185402_100015343762 [0,0,0,0,0,0|3,0,1]=4 71 B10R1.66 CC(=O)NCc1cscn1 240690a_100015185402_100015343762 [0,0,0,0,0,0|3,0,1]=4 72 B10R1.66 CC(=O)NCc1cscn1 527a_100015185402_100103153847 [0,0,0,0,0,0|3,0,1]=4 73 B10R1.66 CC(=O)NCc1ncc[nH]1 11a_100000754540_100015343762 [0,0,0,0,0,0|3,0,1]=4 74 B10R1.66 CC(=O)NCc1ncc[nH]1 240690a_100000754540_100015343762 [0,0,0,0,0,0|3,0,1]=4 75 B10R1.66 CC(=O)NCc1ncc[nH]1 527a_100000754540_100103153847 [0,0,0,0,0,0|3,0,1]=4 76 B10R1.66 CC(=O)NCc1ncco1 11a_100016994969_100015343762 [0,0,0,0,0,0|2,0,1]=3 77 B10R1.66 CC(=O)NCc1ncco1 1626a_100016994969_100015343762 [0,0,0,0,0,0|2,0,1]=3 78 B10R1.66 CC(=O)NCc1ncco1 240690a_100016994969_100015343762 [0,0,0,0,0,0|2,0,1]=3 79 B10R1.66 CC(=O)NCc1ncco1 527a_100016994969_100103153847 [0,0,0,0,0,0|2,0,1]=3 80 B10R1.66 CC(=O)NCc1nccs1 11a_100000740555_100015343762 [0,0,0,0,0,0|2,1,1]=4 81 B10R1.66 CC(=O)NCc1nccs1 1626a_100000740555_100015343762 [0,0,0,0,0,0|2,1,1]=4 82 B10R1.66 CC(=O)NCc1nccs1 240690a_100000740555_100015343762 [0,0,0,0,0,0|2,1,1]=4 83 B10R1.66 CC(=O)NCc1nccs1 527a_100000740555_100103153847 [0,0,0,0,0,0|2,1,1]=4 84 B10R1.66 CC(=O)NN=C1C=CCC1 4a_100000189765_100000239507 [0,0,0,0,0,0|3,0,1]=4 85 B10R1.66 CC(=O)NN=C1CC=CC1 4a_100000189765_100000766571 [0,0,0,0,0,0|3,0,1]=4 86 B10R1.66 CC(=O)NNc1nccs1 22a_100011198208_100000070787 [0,0,0,0,0,0|3,1,0]=4 87 B10R1.66 CC(C)C=Cc1c[nH]cn1 271570a_100016257149_100000756875 [0,0,0,0,0,0|3,0,1]=4 88 B10R1.66 CC(C)C=Cc1cc[nH]n1 271570a_100016257149_100000062575 [0,0,0,0,0,0|3,0,1]=4 89 B10R1.66 CC(C)C=Cc1ccco1 271570a_100016257149_100009814098 [0,0,0,0,0,0|1,0,1]=2 90 B10R1.66 CC(C)C=Cc1cccs1 271570a_100016257149_100011215356 [0,0,0,0,0,0|1,1,1]=3 91 B10R1.66 CC(C)C=Cc1ccoc1 271570a_100016257149_100011215275 [0,0,0,0,0,0|3,0,1]=4 92 B10R1.66 CC(C)C=Cc1ccsc1 271570a_100016257149_100000738268 [0,0,0,0,0,0|3,0,1]=4 93 B10R1.66 CC(C)C=Cc1ccsn1 271570a_100016257149_100009818082 [0,0,0,0,0,0|3,0,1]=4 94 B10R1.66 CC(C)C=Cc1cnco1 271570a_100016257149_100020591547 [0,0,0,0,0,0|2,0,1]=3 95 B10R1.66 CC(C)C=Cc1cncs1 271570a_100016257149_100011934649 [0,0,0,0,0,0|2,1,1]=4 96 B10R1.66 CC(C)C=Cc1cscn1 271570a_100016257149_100000751502 [0,0,0,0,0,0|3,0,1]=4 97 B10R1.66 CC(C)C=Cc1ncc[nH]1 271570a_100016257149_100025796157 [0,0,0,0,0,0|3,0,1]=4 98 B10R1.66 CC(C)C=Cc1ncco1 271570a_100016257149_100011787736 [0,0,0,0,0,0|2,0,1]=3 99 B10R1.66 CC(C)C=Cc1nccs1 271570a_100016257149_100000211983 [0,0,0,0,0,0|2,1,1]=4 100 B10R1.66 CC(C)CSc1ccco1 62a_100000210624_100009814098 [0,0,0,0,0,0|2,0,2]=4 101 B10R1.66 CC(C)CSc1ccco1 62a_100009814098_100000210760 [0,0,0,0,0,0|2,0,2]=4 102 B10R1.66 CC(C)NCc1ccco1 207a_100138425928_100000186105 [0,0,0,0,0,0|2,0,2]=4 103 B10R1.66 CC(C)NCc1ccco1 2230a_100000185738_100000210206 [0,0,0,0,0,0|2,0,2]=4 104 B10R1.66 CC(C)NCc1ccco1 34a_100000185738_100000210206 [0,0,0,0,0,0|2,0,2]=4 105 B10R1.66 CC(C)OCc1ccco1 34a_100000210059_100000210206 [0,0,0,0,0,0|2,0,2]=4 106 B10R1.66 CC(O)C=Cc1c[nH]cn1 271570a_200011019289_100000756875 [0,0,0,0,0,0|2,0,2]=4 107 B10R1.66 CC(O)C=Cc1cc[nH]n1 271570a_200011019289_100000062575 [0,0,0,0,0,0|2,0,2]=4 108 B10R1.66 CC(O)C=Cc1ccco1 271570a_200011019289_100009814098 [0,0,0,0,0,0|0,0,2]=2 109 B10R1.66 CC(O)C=Cc1cccs1 271570a_200011019289_100011215356 [0,0,0,0,0,0|0,1,2]=3 110 B10R1.66 CC(O)C=Cc1ccoc1 271570a_200011019289_100011215275 [0,0,0,0,0,0|2,0,2]=4 111 B10R1.66 CC(O)C=Cc1ccsc1 271570a_200011019289_100000738268 [0,0,0,0,0,0|2,0,2]=4 112 B10R1.66 CC(O)C=Cc1ccsn1 271570a_200011019289_100009818082 [0,0,0,0,0,0|2,0,2]=4 113 B10R1.66 CC(O)C=Cc1cnco1 271570a_200011019289_100020591547 [0,0,0,0,0,0|1,0,2]=3 114 B10R1.66 CC(O)C=Cc1cncs1 271570a_200011019289_100011934649 [0,0,0,0,0,0|1,1,2]=4 115 B10R1.66 CC(O)C=Cc1cscn1 271570a_200011019289_100000751502 [0,0,0,0,0,0|2,0,2]=4 116 B10R1.66 CC(O)C=Cc1ncc[nH]1 271570a_200011019289_100025796157 [0,0,0,0,0,0|2,0,2]=4 117 B10R1.66 CC(O)C=Cc1ncco1 271570a_200011019289_100011787736 [0,0,0,0,0,0|1,0,2]=3 118 B10R1.66 CC(O)C=Cc1nccs1 271570a_200011019289_100000211983 [0,0,0,0,0,0|1,1,2]=4 119 B10R1.66 CC(O)CSc1ccco1 62a_100009814098_100011218427 [0,0,0,0,0,0|1,0,3]=4 120 B10R1.66 CC(O)CSc1ccco1 62a_100011218427_100009814098 [0,0,0,0,0,0|1,0,3]=4 121 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009814098_100009817552 [0,0,0,0,0,0|1,0,3]=4 122 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009817552_100009814098 [0,0,0,0,0,0|1,0,3]=4 123 B10R1.66 NC(=O)CSc1ccco1 62a_100000747473_100009814098 [0,0,0,0,0,0|2,0,1]=3 124 B10R1.66 NC(=O)CSc1ccco1 62a_100009814098_100000747473 [0,0,0,0,0,0|2,0,1]=3 125 B10R1.66 NC(=O)CSc1cccs1 62a_100000747473_100011215356 [0,0,0,0,0,0|2,1,1]=4 126 B10R1.66 NC(=O)CSc1cccs1 62a_100011215356_100000747473 [0,0,0,0,0,0|2,1,1]=4 127 B10R1.66 NC(=O)CSc1cnco1 62a_100000747473_100020591547 [0,0,0,0,0,0|3,0,1]=4 128 B10R1.66 NC(=O)CSc1cnco1 62a_100020591547_100000747473 [0,0,0,0,0,0|3,0,1]=4 129 B10R1.66 NC(=O)CSc1ncco1 62a_100000747473_100011787736 [0,0,0,0,0,0|3,0,1]=4 130 B10R1.66 NC(=O)CSc1ncco1 62a_100011787736_100000747473 [0,0,0,0,0,0|3,0,1]=4 131 B10R1.66 O=C([O-])CSc1ccco1 62a_100009814098_100020667443 [0,0,0,0,0,0|2,0,1]=3 132 B10R1.66 O=C([O-])CSc1ccco1 62a_100020667443_100009814098 [0,0,0,0,0,0|2,0,1]=3 133 B10R1.66 O=C([O-])CSc1cccs1 62a_100011215356_100020667443 [0,0,0,0,0,0|2,1,1]=4 134 B10R1.66 O=C([O-])CSc1cccs1 62a_100020667443_100011215356 [0,0,0,0,0,0|2,1,1]=4 135 B10R1.66 O=C([O-])CSc1cnco1 62a_100020591547_100020667443 [0,0,0,0,0,0|3,0,1]=4 136 B10R1.66 O=C([O-])CSc1cnco1 62a_100020667443_100020591547 [0,0,0,0,0,0|3,0,1]=4 137 B10R1.66 O=C([O-])CSc1ncco1 62a_100011787736_100020667443 [0,0,0,0,0,0|3,0,1]=4 138 B10R1.66 O=C([O-])CSc1ncco1 62a_100020667443_100011787736 [0,0,0,0,0,0|3,0,1]=4 139 B10R1.66 O=[N+]([O-])CSc1ccco1 62a_100009814098_100000761209 [0,0,0,0,0,0|3,0,1]=4 140 B10R1.66 [13CH3]C(=O)C=CC1=CCCC1 1458a_100016262312_200025704644 [0,0,0,0,0,0|1,0,2]=3 141 B10R1.66 [13CH3]C(=O)C=Cc1c[nH]cn1 1458a_100102678534_200025704644 [0,0,0,0,0,0|2,0,0]=2 142 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [0,0,0,0,0,0|0,1,0]=1 143 B10R1.66 [13CH3]C(=O)C=Cc1ccoc1 1458a_100000238621_200025704644 [0,0,0,0,0,0|2,0,0]=2 144 B10R1.66 [13CH3]C(=O)C=Cc1ccsc1 1458a_100000698588_200025704644 [0,0,0,0,0,0|2,0,0]=2 145 B10R1.66 [13CH3]C(=O)C=Cc1cscn1 1458a_200000747928_200025704644 [0,0,0,0,0,0|2,0,0]=2 146 B10R1.66 [13CH3]C(=O)C=Cc1nccs1 1458a_100102558208_200025704644 [0,0,0,0,0,0|1,1,0]=2 147 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [0,0,0,0,0,0|2,0,2]=4 148 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,0,0,0,0,0|1,0,2]=3 149 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,0,0,0,0,0|0,0,2]=2 150 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,0,0,0,0,0|0,1,2]=3 151 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [0,0,0,0,0,0|2,0,2]=4 152 B10R1.66 [13CH3]C(=O)CCc1cnc[nH]1 1458a_100000044180_200025704644 [0,0,0,0,0,0|2,0,2]=4 153 B10R1.66 [13CH3]C(=O)CCc1cncs1 1458a_100012184922_200025704644 [0,0,0,0,0,0|1,1,2]=4 154 B10R1.66 [13CH3]C(=O)CCc1ncc[nH]1 1458a_100000722789_200025704644 [0,0,0,0,0,0|2,0,2]=4 155 B10R1.66 [13CH3]C(=O)CCc1nccs1 1458a_100000742873_200025704644 [0,0,0,0,0,0|1,1,2]=4 156 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [0,0,0,0,0,0|2,0,2]=4 157 B10R1.66 [13CH3]C(=O)CCn1cccn1 1458a_100000242649_200025704644 [0,0,0,0,0,0|2,0,2]=4 158 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [1,0,0,0,0,0|1,0,2]=4 159 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [1,0,0,0,0,0|1,0,2]=4 160 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [1,0,0,0,0,0|0,0,3]=4 161 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [1,0,0,0,0,0|1,0,2]=4 162 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [1,0,0,0,0,0|1,0,2]=4 163 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [1,0,0,0,0,0|1,0,2]=4 164 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [1,0,0,0,0,0|1,0,2]=4 165 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [1,0,0,0,0,0|1,0,2]=4 166 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [1,0,0,0,0,0|1,0,2]=4 167 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [1,0,0,0,0,0|1,0,2]=4 168 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [1,0,0,0,0,0|1,0,2]=4 169 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [1,0,0,0,0,0|1,0,2]=4 170 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [1,0,0,0,0,0|2,0,1]=4 171 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [1,0,0,0,0,0|2,0,1]=4 172 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [1,0,0,0,0,0|2,0,1]=4 173 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [1,0,0,0,0,0|2,0,1]=4 174 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [1,0,0,0,0,0|1,0,1]=3 175 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [1,0,0,0,0,0|1,0,1]=3 176 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [1,0,0,0,0,0|1,1,1]=4 177 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [1,0,0,0,0,0|1,1,1]=4 178 B9R1.12 O=CCSc1cnco1 62a_100020591547_200015260668 [1,0,0,0,0,0|2,0,1]=4 179 B9R1.12 O=CCSc1cnco1 62a_200015260668_100020591547 [1,0,0,0,0,0|2,0,1]=4 180 B9R1.12 O=CCSc1ncco1 62a_100011787736_200015260668 [1,0,0,0,0,0|2,0,1]=4 181 B9R1.12 O=CCSc1ncco1 62a_200015260668_100011787736 [1,0,0,0,0,0|2,0,1]=4 182 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [1,0,0,0,0,0|1,0,2]=4 183 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [1,0,0,0,0,0|1,0,2]=4 184 B11R1.25 C=CC(=O)NCc1ccco1 1626a_100000185738_100000185746 [0,1,0,0,0,0|1,0,2]=4 185 B11R1.25 C=CC(=O)NCc1ccco1 240690a_100000185738_200121576911 [0,1,0,0,0,0|1,0,2]=4 186 B11R1.25 CCC(=O)C=CC1=CCCC1 1458a_100016262312_100000210202 [0,1,0,0,0,0|1,0,2]=4 187 B11R1.25 CCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000210202 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.25 CCC(=O)C=Cc1cccs1 1458a_100000182767_100000210202 [0,1,0,0,0,0|0,1,0]=2 189 B11R1.25 CCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210202 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.25 CCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210202 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.25 CCC(=O)C=Cc1cscn1 1458a_200000747928_100000210202 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.25 CCC(=O)C=Cc1nccs1 1458a_100102558208_100000210202 [0,1,0,0,0,0|1,1,0]=3 193 B11R1.25 CCC(=O)C=Cc1nccs1 6a_100000750902_100000211110 [0,1,0,0,0,0|1,1,0]=3 194 B11R1.25 CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210202 [0,1,0,0,0,0|1,0,2]=4 195 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [0,1,0,0,0,0|0,0,2]=3 196 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000185280_100000210202 [0,1,0,0,0,0|0,1,2]=4 197 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000210414_100000748579 [0,1,0,0,0,0|0,1,2]=4 198 B11R1.25 CCC(=O)CSc1ccco1 62a_100000747405_100009814098 [0,1,0,0,0,0|1,0,1]=3 199 B11R1.25 CCC(=O)CSc1ccco1 62a_100009814098_100000747405 [0,1,0,0,0,0|1,0,1]=3 200 B11R1.25 CCC(=O)CSc1cccs1 62a_100000747405_100011215356 [0,1,0,0,0,0|1,1,1]=4 201 B11R1.25 CCC(=O)CSc1cccs1 62a_100011215356_100000747405 [0,1,0,0,0,0|1,1,1]=4 202 B11R1.25 CCC(=O)CSc1cnco1 62a_100000747405_100020591547 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.25 CCC(=O)CSc1cnco1 62a_100020591547_100000747405 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.25 CCC(=O)CSc1ncco1 62a_100000747405_100011787736 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.25 CCC(=O)CSc1ncco1 62a_100011787736_100000747405 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.25 CCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210414 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.25 CCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210414 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.25 CCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210414 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.25 CCC(=O)NCc1ccco1 11a_100000185738_100000210414 [0,1,0,0,0,0|1,0,1]=3 210 B11R1.25 CCC(=O)NCc1ccco1 1626a_100000185738_100000210414 [0,1,0,0,0,0|1,0,1]=3 211 B11R1.25 CCC(=O)NCc1ccco1 240690a_100000185738_100000210414 [0,1,0,0,0,0|1,0,1]=3 212 B11R1.25 CCC(=O)NCc1ccco1 527a_100000185738_100000210414 [0,1,0,0,0,0|1,0,1]=3 213 B11R1.25 CCC(=O)NCc1cccs1 11a_100000211653_100000210414 [0,1,0,0,0,0|1,1,1]=4 214 B11R1.25 CCC(=O)NCc1cccs1 1626a_100000211653_100000210414 [0,1,0,0,0,0|1,1,1]=4 215 B11R1.25 CCC(=O)NCc1cccs1 240690a_100000211653_100000210414 [0,1,0,0,0,0|1,1,1]=4 216 B11R1.25 CCC(=O)NCc1cccs1 527a_100000211653_100000210414 [0,1,0,0,0,0|1,1,1]=4 217 B11R1.25 CCC(=O)NCc1cnco1 11a_100020634212_100000210414 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.25 CCC(=O)NCc1cnco1 240690a_100020634212_100000210414 [0,1,0,0,0,0|2,0,1]=4 219 B11R1.25 CCC(=O)NCc1cnco1 527a_100020634212_100000210414 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.25 CCC(=O)NCc1ncco1 11a_100016994969_100000210414 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.25 CCC(=O)NCc1ncco1 1626a_100016994969_100000210414 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.25 CCC(=O)NCc1ncco1 240690a_100016994969_100000210414 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.25 CCC(=O)NCc1ncco1 527a_100016994969_100000210414 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.25 CNC(=O)C=CC1=CCCC1 11a_106832991635_100016262312 [0,1,0,0,0,0|1,0,2]=4 225 B11R1.25 CNC(=O)C=CC1=CCCC1 1626a_100102657272_100016262312 [0,1,0,0,0,0|1,0,2]=4 226 B11R1.25 CNC(=O)C=CC1=CCCC1 240690a_100102657272_100016262312 [0,1,0,0,0,0|1,0,2]=4 227 B11R1.25 CNC(=O)C=Cc1c[nH]cn1 240690a_100102657272_100102678534 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.25 CNC(=O)C=Cc1cccs1 11a_106832991635_100000182767 [0,1,0,0,0,0|0,1,0]=2 229 B11R1.25 CNC(=O)C=Cc1cccs1 1626a_100102657272_100000182767 [0,1,0,0,0,0|0,1,0]=2 230 B11R1.25 CNC(=O)C=Cc1cccs1 240690a_100102657272_100000182767 [0,1,0,0,0,0|0,1,0]=2 231 B11R1.25 CNC(=O)C=Cc1ccoc1 11a_106832991635_100000238621 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.25 CNC(=O)C=Cc1ccoc1 1626a_100102657272_100000238621 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.25 CNC(=O)C=Cc1ccoc1 240690a_100102657272_100000238621 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.25 CNC(=O)C=Cc1ccsc1 11a_106832991635_100000698588 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.25 CNC(=O)C=Cc1ccsc1 1626a_100102657272_100000698588 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.25 CNC(=O)C=Cc1ccsc1 240690a_100102657272_100000698588 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.25 CNC(=O)C=Cc1ccsc1 527a_100102657272_100000698588 [0,1,0,0,0,0|2,0,0]=3 238 B11R1.25 CNC(=O)C=Cc1cscn1 11a_106832991635_200000747928 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.25 CNC(=O)C=Cc1cscn1 1626a_100102657272_200000747928 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.25 CNC(=O)C=Cc1cscn1 240690a_100102657272_200000747928 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.25 CNC(=O)C=Cc1nccs1 11a_106832991635_100102558208 [0,1,0,0,0,0|1,1,0]=3 242 B11R1.25 CNC(=O)C=Cc1nccs1 240690a_100102657272_100102558208 [0,1,0,0,0,0|1,1,0]=3 243 B11R1.25 CNC(=O)CCc1ccc[nH]1 11a_106832991635_200011998680 [0,1,0,0,0,0|1,0,2]=4 244 B11R1.25 CNC(=O)CCc1ccc[nH]1 240690a_100102657272_200011998680 [0,1,0,0,0,0|1,0,2]=4 245 B11R1.25 CNC(=O)CCc1ccc[nH]1 527a_100102657272_200011998680 [0,1,0,0,0,0|1,0,2]=4 246 B11R1.25 CNC(=O)CCc1ccco1 11a_106832991635_100000185103 [0,1,0,0,0,0|0,0,2]=3 247 B11R1.25 CNC(=O)CCc1ccco1 1626a_100102657272_100000185103 [0,1,0,0,0,0|0,0,2]=3 248 B11R1.25 CNC(=O)CCc1ccco1 527a_100102657272_100000185103 [0,1,0,0,0,0|0,0,2]=3 249 B11R1.25 CNC(=O)CCc1cccs1 11a_106832991635_100000185280 [0,1,0,0,0,0|0,1,2]=4 250 B11R1.25 CNC(=O)CCc1cccs1 1626a_100102657272_100000185280 [0,1,0,0,0,0|0,1,2]=4 251 B11R1.25 CNC(=O)CCc1cccs1 240690a_100102657272_100000185280 [0,1,0,0,0,0|0,1,2]=4 252 B11R1.25 CNC(=O)CCc1cccs1 527a_100102657272_100000185280 [0,1,0,0,0,0|0,1,2]=4 253 B11R1.25 CNC(=O)CSc1ccco1 62a_100000183359_100009814098 [0,1,0,0,0,0|1,0,1]=3 254 B11R1.25 CNC(=O)CSc1ccco1 62a_100009814098_100000183359 [0,1,0,0,0,0|1,0,1]=3 255 B11R1.25 CNC(=O)CSc1cccs1 62a_100000183359_100011215356 [0,1,0,0,0,0|1,1,1]=4 256 B11R1.25 CNC(=O)CSc1cccs1 62a_100011215356_100000183359 [0,1,0,0,0,0|1,1,1]=4 257 B11R1.25 CNC(=O)CSc1cnco1 62a_100000183359_100020591547 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.25 CNC(=O)CSc1cnco1 62a_100020591547_100000183359 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.25 CNC(=O)CSc1ncco1 62a_100000183359_100011787736 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.25 CNC(=O)CSc1ncco1 62a_100011787736_100000183359 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.25 CNC(=O)NCc1ccc[nH]1 273464a_100000764082_100102657272 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.25 CNC(=O)NCc1ccc[nH]1 273464a_100102657272_100000764082 [0,1,0,0,0,0|2,0,1]=4 263 B11R1.25 CNC(=O)NCc1ccc[nH]1 512a_106832991638_100000764082 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.25 CNC(=O)NCc1ccco1 2708a_100000185738_106832991635 [0,1,0,0,0,0|1,0,1]=3 265 B11R1.25 CNC(=O)NCc1ccco1 2708a_100102657272_100000185738 [0,1,0,0,0,0|1,0,1]=3 266 B11R1.25 CNC(=O)NCc1ccco1 273464a_100000185738_100102657272 [0,1,0,0,0,0|1,0,1]=3 267 B11R1.25 CNC(=O)NCc1ccco1 512a_100000185738_100102657272 [0,1,0,0,0,0|1,0,1]=3 268 B11R1.25 CNC(=O)NCc1ccco1 512a_106832991638_100000185738 [0,1,0,0,0,0|1,0,1]=3 269 B11R1.25 CNC(=O)NCc1cccs1 2708a_100000211653_106832991635 [0,1,0,0,0,0|1,1,1]=4 270 B11R1.25 CNC(=O)NCc1cccs1 2708a_100102657272_100000211653 [0,1,0,0,0,0|1,1,1]=4 271 B11R1.25 CNC(=O)NCc1cccs1 273464a_100000211653_100102657272 [0,1,0,0,0,0|1,1,1]=4 272 B11R1.25 CNC(=O)NCc1cccs1 273464a_100102657272_100000211653 [0,1,0,0,0,0|1,1,1]=4 273 B11R1.25 CNC(=O)NCc1cccs1 512a_100000211653_100102657272 [0,1,0,0,0,0|1,1,1]=4 274 B11R1.25 CNC(=O)NCc1cccs1 512a_106832991638_100000211653 [0,1,0,0,0,0|1,1,1]=4 275 B11R1.25 CNC(=O)NCc1cnco1 2708a_100020634212_106832991635 [0,1,0,0,0,0|2,0,1]=4 276 B11R1.25 CNC(=O)NCc1cnco1 2708a_100102657272_100020634212 [0,1,0,0,0,0|2,0,1]=4 277 B11R1.25 CNC(=O)NCc1cnco1 273464a_100020634212_100102657272 [0,1,0,0,0,0|2,0,1]=4 278 B11R1.25 CNC(=O)NCc1cnco1 273464a_100102657272_100020634212 [0,1,0,0,0,0|2,0,1]=4 279 B11R1.25 CNC(=O)NCc1cnco1 512a_100020634212_100102657272 [0,1,0,0,0,0|2,0,1]=4 280 B11R1.25 CNC(=O)NCc1cnco1 512a_106832991638_100020634212 [0,1,0,0,0,0|2,0,1]=4 281 B11R1.25 CNC(=O)NCc1ncco1 2708a_100016994969_106832991635 [0,1,0,0,0,0|2,0,1]=4 282 B11R1.25 CNC(=O)NCc1ncco1 2708a_100102657272_100016994969 [0,1,0,0,0,0|2,0,1]=4 283 B11R1.25 CNC(=O)NCc1ncco1 273464a_100016994969_100102657272 [0,1,0,0,0,0|2,0,1]=4 284 B11R1.25 CNC(=O)NCc1ncco1 273464a_100102657272_100016994969 [0,1,0,0,0,0|2,0,1]=4 285 B11R1.25 CNC(=O)NCc1ncco1 512a_100016994969_100102657272 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.25 CNC(=O)NCc1ncco1 512a_106832991638_100016994969 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.25 COC(=O)CSc1ccco1 62a_100000747449_100009814098 [0,1,0,0,0,0|1,0,1]=3 288 B11R1.25 COC(=O)CSc1ccco1 62a_100009814098_100000747449 [0,1,0,0,0,0|1,0,1]=3 289 B11R1.25 COC(=O)CSc1cccs1 62a_100000747449_100011215356 [0,1,0,0,0,0|1,1,1]=4 290 B11R1.25 COC(=O)CSc1cccs1 62a_100011215356_100000747449 [0,1,0,0,0,0|1,1,1]=4 291 B11R1.25 COC(=O)CSc1cnco1 62a_100000747449_100020591547 [0,1,0,0,0,0|2,0,1]=4 292 B11R1.25 COC(=O)CSc1cnco1 62a_100020591547_100000747449 [0,1,0,0,0,0|2,0,1]=4 293 B11R1.25 COC(=O)CSc1ncco1 62a_100000747449_100011787736 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.25 COC(=O)CSc1ncco1 62a_100011787736_100000747449 [0,1,0,0,0,0|2,0,1]=4 295 B11R1.25 O=C(C=CC1=CCCC1)CF 1458a_100016262312_100015361967 [0,1,0,0,0,0|1,0,2]=4 296 B11R1.25 O=C(C=Cc1c[nH]cn1)CF 1458a_100102678534_100015361967 [0,1,0,0,0,0|2,0,0]=3 297 B11R1.25 O=C(C=Cc1cccs1)CF 1458a_100000182767_100015361967 [0,1,0,0,0,0|0,1,0]=2 298 B11R1.25 O=C(C=Cc1ccoc1)CF 1458a_100000238621_100015361967 [0,1,0,0,0,0|2,0,0]=3 299 B11R1.25 O=C(C=Cc1ccsc1)CF 1458a_100000698588_100015361967 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.25 O=C(C=Cc1cscn1)CF 1458a_200000747928_100015361967 [0,1,0,0,0,0|2,0,0]=3 301 B11R1.25 O=C(C=Cc1nccs1)CBr 6a_100000750902_100009888967 [0,1,0,0,0,0|1,1,0]=3 302 B11R1.25 O=C(C=Cc1nccs1)CCl 6a_100000750902_100000086384 [0,1,0,0,0,0|1,1,0]=3 303 B11R1.25 O=C(C=Cc1nccs1)CF 1458a_100102558208_100015361967 [0,1,0,0,0,0|1,1,0]=3 304 B11R1.25 O=C(C=Cc1nccs1)CF 6a_100000750902_100000764096 [0,1,0,0,0,0|1,1,0]=3 305 B11R1.25 O=C(CF)CCc1ccc[nH]1 1458a_200011998680_100015361967 [0,1,0,0,0,0|1,0,2]=4 306 B11R1.25 O=C(CF)CCc1ccco1 1458a_100000185103_100015361967 [0,1,0,0,0,0|0,0,2]=3 307 B11R1.25 O=C(CF)CCc1cccs1 1458a_100000185280_100015361967 [0,1,0,0,0,0|0,1,2]=4 308 B11R1.25 O=C(CO)CCc1cccs1 1458a_100000210174_100000748579 [0,1,0,0,0,0|0,1,2]=4 309 B11R1.25 O=C(CO)NCc1ccc[nH]1 240690a_100000764082_100000210174 [0,1,0,0,0,0|2,0,1]=4 310 B11R1.25 O=C(CO)NCc1ccc[nH]1 527a_100000764082_100000210174 [0,1,0,0,0,0|2,0,1]=4 311 B11R1.25 O=C(CO)NCc1ccco1 240690a_100000185738_100000210174 [0,1,0,0,0,0|1,0,1]=3 312 B11R1.25 O=C(CO)NCc1ccco1 527a_100000185738_100000210174 [0,1,0,0,0,0|1,0,1]=3 313 B11R1.25 O=C(CO)NCc1cccs1 240690a_100000211653_100000210174 [0,1,0,0,0,0|1,1,1]=4 314 B11R1.25 O=C(CO)NCc1cccs1 527a_100000211653_100000210174 [0,1,0,0,0,0|1,1,1]=4 315 B11R1.25 O=C(CO)NCc1cnco1 240690a_100020634212_100000210174 [0,1,0,0,0,0|2,0,1]=4 316 B11R1.25 O=C(CO)NCc1cnco1 527a_100020634212_100000210174 [0,1,0,0,0,0|2,0,1]=4 317 B11R1.25 O=C(CO)NCc1ncco1 240690a_100016994969_100000210174 [0,1,0,0,0,0|2,0,1]=4 318 B11R1.25 O=C(CO)NCc1ncco1 527a_100016994969_100000210174 [0,1,0,0,0,0|2,0,1]=4 319 B11R1.35 C=C(C)C(=O)Cc1ncco1 1458a_100000185857_103436540062 [0,1,0,0,0,0|2,0,1]=4 320 B11R1.35 CC(=Cc1ccco1)C(=O)[13CH3] 1458a_100011995979_200025704644 [0,1,0,0,0,0|0,0,0]=1 321 B11R1.35 CC(=O)C(=Cc1ccco1)C 1458a_100011995979_200000210301 [0,1,0,0,0,0|0,0,0]=1 322 B11R1.35 CC(=O)C(C)Sc1ccco1 62a_100009814033_100009814098 [0,1,0,0,0,0|1,0,1]=3 323 B11R1.35 CC(=O)C(C)Sc1ccco1 62a_100009814098_100009814033 [0,1,0,0,0,0|1,0,1]=3 324 B11R1.35 CC(=O)C(C)Sc1cccs1 62a_100009814033_100011215356 [0,1,0,0,0,0|1,1,1]=4 325 B11R1.35 CC(=O)C(C)Sc1cccs1 62a_100011215356_100009814033 [0,1,0,0,0,0|1,1,1]=4 326 B11R1.35 CC(=O)C(C)Sc1cnco1 62a_100009814033_100020591547 [0,1,0,0,0,0|2,0,1]=4 327 B11R1.35 CC(=O)C(C)Sc1cnco1 62a_100020591547_100009814033 [0,1,0,0,0,0|2,0,1]=4 328 B11R1.35 CC(=O)C(C)Sc1ncco1 62a_100009814033_100011787736 [0,1,0,0,0,0|2,0,1]=4 329 B11R1.35 CC(=O)C(C)Sc1ncco1 62a_100011787736_100009814033 [0,1,0,0,0,0|2,0,1]=4 330 B11R1.35 CC(=O)N(C)Cc1ccco1 11a_100000185268_100015343762 [0,1,0,0,0,0|1,0,1]=3 331 B11R1.35 CC(=O)N(C)Cc1ccco1 240690a_100000185268_100015343762 [0,1,0,0,0,0|1,0,1]=3 332 B11R1.35 CC(=O)N(C)Cc1ccco1 527a_100000185268_100103153847 [0,1,0,0,0,0|1,0,1]=3 333 B11R1.35 CC(=O)N(C)Cc1cccs1 11a_100000184426_100015343762 [0,1,0,0,0,0|1,1,1]=4 334 B11R1.35 CC(=O)N(C)Cc1cccs1 240690a_100000184426_100015343762 [0,1,0,0,0,0|1,1,1]=4 335 B11R1.35 CC(=O)N(C)Cc1cccs1 527a_100000184426_100103153847 [0,1,0,0,0,0|1,1,1]=4 336 B11R1.35 CC(C)C(=O)Cc1ccco1 1458a_100011217309_100000210206 [0,1,0,0,0,0|1,0,2]=4 337 B11R1.35 CC(Sc1ccco1)C(=O)N 62a_100000702099_100009814098 [0,1,0,0,0,0|2,0,1]=4 338 B11R1.35 CC(Sc1ccco1)C(=O)N 62a_100009814098_100000702099 [0,1,0,0,0,0|2,0,1]=4 339 B11R1.35 CN(C)C(=O)Cc1ccco1 11a_100102631434_100011217309 [0,1,0,0,0,0|2,0,1]=4 340 B11R1.35 CN(C)C(=O)Cc1ccco1 527a_100102631434_100011217309 [0,1,0,0,0,0|2,0,1]=4 341 B11R1.35 NC(=O)C(F)Sc1ccco1 62a_100009813875_100009814098 [0,1,0,0,0,0|2,0,1]=4 342 B11R1.35 NC(=O)C(F)Sc1ccco1 62a_100009814098_100009813875 [0,1,0,0,0,0|2,0,1]=4 343 B11R1.35 O=C([O-])C(F)Sc1ccco1 62a_100009814098_100020610796 [0,1,0,0,0,0|2,0,1]=4 344 B11R1.35 O=C([O-])C(F)Sc1ccco1 62a_100020610796_100009814098 [0,1,0,0,0,0|2,0,1]=4 345 B11R1.75 CC(=O)C=Cc1cc(cs1)Br 1458a_100102601599_200000210301 [0,1,0,0,0,0|0,1,0]=2 346 B11R1.75 CC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200000210301 [0,1,0,0,0,0|0,0,0]=1 347 B11R1.75 CC(=O)C=Cc1ccc(o1)C 1458a_100000183563_200000210301 [0,1,0,0,0,0|0,0,0]=1 348 B11R1.75 CC(=O)C=Cc1ccc(o1)I 1458a_100000679848_200000210301 [0,1,0,0,0,0|0,0,0]=1 349 B11R1.75 CC(=O)C=Cc1ccc(s1)Br 1458a_100102558031_200000210301 [0,1,0,0,0,0|0,1,0]=2 350 B11R1.75 CC(=O)C=Cc1ccc(s1)C 1458a_100102558089_200000210301 [0,1,0,0,0,0|0,1,0]=2 351 B11R1.75 CC(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_200000210301 [0,1,0,0,0,0|0,1,0]=2 352 B11R1.75 CC(=O)C=Cc1cnn(c1)C 1458a_100000230101_200000210301 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.75 CC(=O)CCc1cc(no1)Cl 1458a_100000022696_200000210301 [0,1,0,0,0,0|1,0,2]=4 354 B11R1.75 CC(=O)NCc1cc(cs1)Br 11a_100000741024_100015343762 [0,1,0,0,0,0|1,1,1]=4 355 B11R1.75 CC(=O)NCc1cc(cs1)Br 1626a_100000741024_100015343762 [0,1,0,0,0,0|1,1,1]=4 356 B11R1.75 CC(=O)NCc1cc(cs1)Br 240690a_100000741024_100015343762 [0,1,0,0,0,0|1,1,1]=4 357 B11R1.75 CC(=O)NCc1cc(cs1)Br 527a_100000741024_100103153847 [0,1,0,0,0,0|1,1,1]=4 358 B11R1.75 CC(=O)NCc1cc(cs1)C 11a_100015204214_100015343762 [0,1,0,0,0,0|1,1,1]=4 359 B11R1.75 CC(=O)NCc1cc(cs1)C 1626a_100015204214_100015343762 [0,1,0,0,0,0|1,1,1]=4 360 B11R1.75 CC(=O)NCc1cc(cs1)C 240690a_100015204214_100015343762 [0,1,0,0,0,0|1,1,1]=4 361 B11R1.75 CC(=O)NCc1cc(cs1)C 527a_100015204214_100103153847 [0,1,0,0,0,0|1,1,1]=4 362 B11R1.75 CC(=O)NCc1cc(no1)Br 11a_100015193020_100015343762 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.75 CC(=O)NCc1cc(no1)Br 240690a_100015193020_100015343762 [0,1,0,0,0,0|2,0,1]=4 364 B11R1.75 CC(=O)NCc1cc(no1)Br 527a_100015193020_100103153847 [0,1,0,0,0,0|2,0,1]=4 365 B11R1.75 CC(=O)NCc1cc(no1)C 11a_100000745748_100015343762 [0,1,0,0,0,0|2,0,1]=4 366 B11R1.75 CC(=O)NCc1cc(no1)C 240690a_100000745748_100015343762 [0,1,0,0,0,0|2,0,1]=4 367 B11R1.75 CC(=O)NCc1cc(no1)C 527a_100000745748_100103153847 [0,1,0,0,0,0|2,0,1]=4 368 B11R1.75 CC(=O)NCc1ccc(o1)Br 11a_100000708654_100015343762 [0,1,0,0,0,0|1,0,1]=3 369 B11R1.75 CC(=O)NCc1ccc(o1)Br 1626a_100000708654_100015343762 [0,1,0,0,0,0|1,0,1]=3 370 B11R1.75 CC(=O)NCc1ccc(o1)Br 240690a_100000708654_100015343762 [0,1,0,0,0,0|1,0,1]=3 371 B11R1.75 CC(=O)NCc1ccc(o1)Br 527a_100000708654_100103153847 [0,1,0,0,0,0|1,0,1]=3 372 B11R1.75 CC(=O)NCc1ccc(o1)C 11a_100011194323_100015343762 [0,1,0,0,0,0|1,0,1]=3 373 B11R1.75 CC(=O)NCc1ccc(o1)C 1626a_100011194323_100015343762 [0,1,0,0,0,0|1,0,1]=3 374 B11R1.75 CC(=O)NCc1ccc(o1)C 240690a_100011194323_100015343762 [0,1,0,0,0,0|1,0,1]=3 375 B11R1.75 CC(=O)NCc1ccc(o1)C 527a_100011194323_100103153847 [0,1,0,0,0,0|1,0,1]=3 376 B11R1.75 CC(=O)NCc1ccc(s1)Br 11a_100000737305_100015343762 [0,1,0,0,0,0|1,1,1]=4 377 B11R1.75 CC(=O)NCc1ccc(s1)Br 1626a_100000737305_100015343762 [0,1,0,0,0,0|1,1,1]=4 378 B11R1.75 CC(=O)NCc1ccc(s1)Br 240690a_100000737305_100015343762 [0,1,0,0,0,0|1,1,1]=4 379 B11R1.75 CC(=O)NCc1ccc(s1)Br 527a_100000737305_100103153847 [0,1,0,0,0,0|1,1,1]=4 380 B11R1.75 CC(=O)NCc1ccc(s1)C 11a_100000238518_100015343762 [0,1,0,0,0,0|1,1,1]=4 381 B11R1.75 CC(=O)NCc1ccc(s1)C 1626a_100000238518_100015343762 [0,1,0,0,0,0|1,1,1]=4 382 B11R1.75 CC(=O)NCc1ccc(s1)C 240690a_100000238518_100015343762 [0,1,0,0,0,0|1,1,1]=4 383 B11R1.75 CC(=O)NCc1ccc(s1)C 527a_100000238518_100103153847 [0,1,0,0,0,0|1,1,1]=4 384 B11R1.75 CC(=O)NCc1ccc(s1)Cl 11a_100000737310_100015343762 [0,1,0,0,0,0|1,1,1]=4 385 B11R1.75 CC(=O)NCc1ccc(s1)Cl 1626a_100000737310_100015343762 [0,1,0,0,0,0|1,1,1]=4 386 B11R1.75 CC(=O)NCc1ccc(s1)Cl 240690a_100000737310_100015343762 [0,1,0,0,0,0|1,1,1]=4 387 B11R1.75 CC(=O)NCc1ccc(s1)Cl 527a_100000737310_100103153847 [0,1,0,0,0,0|1,1,1]=4 388 B11R1.75 CC(=O)NCc1ncc(o1)C 11a_100138411809_100015343762 [0,1,0,0,0,0|2,0,1]=4 389 B11R1.75 CC(=O)NCc1ncc(o1)C 1626a_100138411809_100015343762 [0,1,0,0,0,0|2,0,1]=4 390 B11R1.75 CC(=O)NCc1ncc(o1)C 240690a_100138411809_100015343762 [0,1,0,0,0,0|2,0,1]=4 391 B11R1.75 CC(=O)NCc1ncc(o1)C 527a_100138411809_100103153847 [0,1,0,0,0,0|2,0,1]=4 392 B11R1.75 CC(C)C=Cc1ccc(s1)Br 271570a_100016257149_100010197418 [0,1,0,0,0,0|1,1,1]=4 393 B11R1.75 CC(O)C=Cc1ccc(s1)Br 271570a_200011019289_100010197418 [0,1,0,0,0,0|0,1,2]=4 394 B11R1.75 Cc1ccc(o1)C=CC(=O)[13CH3] 1458a_100000183563_200025704644 [0,1,0,0,0,0|0,0,0]=1 395 B11R1.75 Cc1ccc(s1)C=CC(=O)[13CH3] 1458a_100102558089_200025704644 [0,1,0,0,0,0|0,1,0]=2 396 B11R1.75 Cc1ccc(s1)C=CC(C)C 271570a_100016257149_100000761539 [0,1,0,0,0,0|1,1,1]=4 397 B11R1.75 Cc1ccc(s1)C=CC(C)O 271570a_200011019289_100000761539 [0,1,0,0,0,0|0,1,2]=4 398 B11R1.75 Cc1csc(c1)C=CC(C)C 271570a_100016257149_100009876951 [0,1,0,0,0,0|1,1,1]=4 399 B11R1.75 Cc1csc(c1)C=CC(C)O 271570a_200011019289_100009876951 [0,1,0,0,0,0|0,1,2]=4 400 B11R1.75 Cn1cc(cn1)C=CC(=O)[13CH3] 1458a_100000230101_200025704644 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.75 [13CH3]C(=O)C=Cc1cc(cs1)Br 1458a_100102601599_200025704644 [0,1,0,0,0,0|0,1,0]=2 402 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200025704644 [0,1,0,0,0,0|0,0,0]=1 403 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)I 1458a_100000679848_200025704644 [0,1,0,0,0,0|0,0,0]=1 404 B11R1.75 [13CH3]C(=O)C=Cc1ccc(s1)Br 1458a_100102558031_200025704644 [0,1,0,0,0,0|0,1,0]=2 405 B11R1.75 [13CH3]C(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_200025704644 [0,1,0,0,0,0|0,1,0]=2 406 B11R1.75 [13CH3]C(=O)CCc1cc(no1)Cl 1458a_100000022696_200025704644 [0,1,0,0,0,0|1,0,2]=4 407 B11R1.77 CC(=O)CC(=O)c1ccc[nH]1 1458a_100000070787_200011262396 [0,1,0,0,0,0|1,0,1]=3 408 B11R1.77 CC(=O)CC(=O)c1ccco1 1458a_100000070787_100000211439 [0,1,0,0,0,0|0,0,1]=2 409 B11R1.77 CC(=O)CC(=O)c1cccs1 1458a_100000070787_100000211436 [0,1,0,0,0,0|0,1,1]=3 410 B11R1.77 CC(=O)CC(=O)c1ccsc1 1458a_100000070787_100011219462 [0,1,0,0,0,0|2,0,1]=4 411 B11R1.77 CC(=O)CC(=O)c1nccs1 1458a_100000070787_100000718653 [0,1,0,0,0,0|1,1,1]=4 412 B11R1.77 CC(=O)CC(=O)n1cccn1 1458a_100000070787_100000077511 [0,1,0,0,0,0|2,0,1]=4 413 B11R1.77 CC(=O)NC(C)c1cccs1 11a_100000703493_100015343762 [0,1,0,0,0,0|1,1,1]=4 414 B11R1.77 CC(=O)NC(C)c1cccs1 1626a_100000703493_100015343762 [0,1,0,0,0,0|1,1,1]=4 415 B11R1.77 CC(=O)NC(C)c1cccs1 240690a_100000703493_100015343762 [0,1,0,0,0,0|1,1,1]=4 416 B11R1.77 CC(=O)NC(C)c1cccs1 527a_100000703493_100103153847 [0,1,0,0,0,0|1,1,1]=4 417 B11R1.77 CC(=O)N[C@H](C)c1ccco1 11a_100160469435_100015343762 [0,1,0,0,0,0|1,0,1]=3 418 B11R1.77 CC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100015343762 [0,1,0,0,0,0|1,0,1]=3 419 B11R1.77 CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100015343762 [0,1,0,0,0,0|1,0,1]=3 420 B11R1.77 CC(=O)N[C@H](C)c1ccco1 527a_100160469435_100103153847 [0,1,0,0,0,0|1,0,1]=3 421 B11R1.77 CN(C)CC(=O)c1ccco1 269982a_100102631434_100000211439 [0,1,0,0,0,0|2,0,1]=4 422 B11R1.90 CC(=O)C=Cc1ccnn1C 1458a_100102528386_200000210301 [0,1,0,0,0,0|2,0,0]=3 423 B11R1.90 CC(=O)C=Cc1sccc1C 1458a_100000185125_200000210301 [0,1,0,0,0,0|0,1,0]=2 424 B11R1.90 CC(=O)NCc1cccn1C 11a_100011219357_100015343762 [0,1,0,0,0,0|2,0,1]=4 425 B11R1.90 CC(=O)NCc1cccn1C 1626a_100011219357_100015343762 [0,1,0,0,0,0|2,0,1]=4 426 B11R1.90 CC(=O)NCc1cccn1C 240690a_100011219357_100015343762 [0,1,0,0,0,0|2,0,1]=4 427 B11R1.90 CC(=O)NCc1cccn1C 527a_100011219357_100103153847 [0,1,0,0,0,0|2,0,1]=4 428 B11R1.90 CC(=O)NCc1sccc1C 11a_100000238519_100015343762 [0,1,0,0,0,0|1,1,1]=4 429 B11R1.90 CC(=O)NCc1sccc1C 1626a_100000238519_100015343762 [0,1,0,0,0,0|1,1,1]=4 430 B11R1.90 CC(=O)NCc1sccc1C 240690a_100000238519_100015343762 [0,1,0,0,0,0|1,1,1]=4 431 B11R1.90 CC(=O)NCc1sccc1C 527a_100000238519_100103153847 [0,1,0,0,0,0|1,1,1]=4 432 B11R1.90 CC(=O)NCc1sccc1Cl 11a_100011934584_100015343762 [0,1,0,0,0,0|1,1,1]=4 433 B11R1.90 CC(=O)NCc1sccc1Cl 1626a_100011934584_100015343762 [0,1,0,0,0,0|1,1,1]=4 434 B11R1.90 CC(=O)NCc1sccc1Cl 240690a_100011934584_100015343762 [0,1,0,0,0,0|1,1,1]=4 435 B11R1.90 CC(=O)NCc1sccc1Cl 527a_100011934584_100103153847 [0,1,0,0,0,0|1,1,1]=4 436 B11R1.90 CC(C)C=Cc1sccc1Br 271570a_100016257149_100012361411 [0,1,0,0,0,0|1,1,1]=4 437 B11R1.90 CC(O)C=Cc1sccc1Br 271570a_200011019289_100012361411 [0,1,0,0,0,0|0,1,2]=4 438 B11R1.90 Cc1ccsc1C=CC(=O)[13CH3] 1458a_100000185125_200025704644 [0,1,0,0,0,0|0,1,0]=2 439 B11R1.90 Cc1ccsc1C=CC(C)C 271570a_100016257149_100000742657 [0,1,0,0,0,0|1,1,1]=4 440 B11R1.90 Cc1ccsc1C=CC(C)O 271570a_200011019289_100000742657 [0,1,0,0,0,0|0,1,2]=4 441 B11R1.90 Cn1nccc1C=CC(=O)[13CH3] 1458a_100102528386_200025704644 [0,1,0,0,0,0|2,0,0]=3 442 B11R1.510 CC(C)(C)C=Cc1ccco1 271570a_100102527731_100009814098 [0,1,0,0,0,0|1,0,1]=3 443 B11R1.510 CC(C)(C)C=Cc1cccs1 271570a_100102527731_100011215356 [0,1,0,0,0,0|1,1,1]=4 444 B11R1.510 CC(C)(C)C=Cc1cnco1 271570a_100102527731_100020591547 [0,1,0,0,0,0|2,0,1]=4 445 B11R1.510 CC(C)(C)C=Cc1ncco1 271570a_100102527731_100011787736 [0,1,0,0,0,0|2,0,1]=4 446 B11R1.510 CC(C)(O)C=Cc1ccco1 271570a_200016258132_100009814098 [0,1,0,0,0,0|0,0,2]=3 447 B11R1.510 CC(C)(O)C=Cc1cccs1 271570a_200016258132_100011215356 [0,1,0,0,0,0|0,1,2]=4 448 B11R1.510 CC(C)(O)C=Cc1cnco1 271570a_200016258132_100020591547 [0,1,0,0,0,0|1,0,2]=4 449 B11R1.510 CC(C)(O)C=Cc1ncco1 271570a_200016258132_100011787736 [0,1,0,0,0,0|1,0,2]=4 450 B11R1.510 CS(=O)(=O)NCc1ccco1 40a_100000185738_100000738038 [0,1,0,0,0,0|2,0,1]=4 451 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [0,0,1,0,0,0|1,0,2]=4 452 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [0,0,1,0,0,0|1,0,2]=4 453 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,0,1,0,0,0|1,0,2]=4 454 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,0,1,0,0,0|1,0,2]=4 455 B11R2.36 Oc1ccc2[nH]ccc2c1 271570a_203496583355_100000211741 [0,0,0,1,0,0|1,0,2]=4 456 B11R2.36 Oc1ccc2[nH]ccc2n1 271570a_203496583355_100000087148 [0,0,0,1,0,0|2,0,1]=4 457 B11R2.36 Oc1ccc2c(c1)C=CC2 271570a_203496583355_100009814306 [0,0,0,1,0,0|1,0,2]=4 458 B11R2.36 Oc1ccc2occc2c1 271570a_203496583355_100012343831 [0,0,0,1,0,0|0,0,2]=3 459 B11R2.36 Oc1ccc2occc2n1 271570a_203496583355_100009851292 [0,0,0,1,0,0|1,0,1]=3 460 B11R2.36 Oc1ccc2ocnc2c1 271570a_203496583355_100009816175 [0,0,0,1,0,0|1,0,2]=4 461 B11R2.36 Oc1ccc2oncc2c1 271570a_203496583355_100009817723 [0,0,0,1,0,0|1,0,2]=4 462 B11R2.36 Oc1ccc2sccc2c1 271570a_203496583355_100009814439 [0,0,0,1,0,0|0,1,2]=4 463 B11R2.36 Oc1ccc2sccc2n1 271570a_203496583355_100012000956 [0,0,0,1,0,0|1,1,1]=4 464 B11R2.385 C(=CC1CC1)c2ccco2 271570a_100102526188_100009814098 [0,0,0,1,0,0|1,0,1]=3 465 B11R2.385 C(=CC1CC1)c2cccs2 271570a_100102526188_100011215356 [0,0,0,1,0,0|1,1,1]=4 466 B11R2.385 C(=CC1CC1)c2cnco2 271570a_100102526188_100020591547 [0,0,0,1,0,0|2,0,1]=4 467 B11R2.385 C(=CC1CC1)c2ncco2 271570a_100102526188_100011787736 [0,0,0,1,0,0|2,0,1]=4 468 B9R1.13 CC(=Cc1c[nH]cn1)C 271570a_100102525489_100000756875 [0,0,0,0,1,0|3,0,0]=4 469 B9R1.13 CC(=Cc1cc[nH]n1)C 271570a_100102525489_100000062575 [0,0,0,0,1,0|3,0,0]=4 470 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [0,0,0,0,1,0|1,0,0]=2 471 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [0,0,0,0,1,0|1,1,0]=3 472 B9R1.13 CC(=Cc1ccoc1)C 271570a_100102525489_100011215275 [0,0,0,0,1,0|3,0,0]=4 473 B9R1.13 CC(=Cc1ccsc1)C 271570a_100102525489_100000738268 [0,0,0,0,1,0|3,0,0]=4 474 B9R1.13 CC(=Cc1ccsn1)C 271570a_100102525489_100009818082 [0,0,0,0,1,0|3,0,0]=4 475 B9R1.13 CC(=Cc1cnco1)C 271570a_100102525489_100020591547 [0,0,0,0,1,0|2,0,0]=3 476 B9R1.13 CC(=Cc1cncs1)C 271570a_100102525489_100011934649 [0,0,0,0,1,0|2,1,0]=4 477 B9R1.13 CC(=Cc1cscn1)C 271570a_100102525489_100000751502 [0,0,0,0,1,0|3,0,0]=4 478 B9R1.13 CC(=Cc1ncc[nH]1)C 271570a_100102525489_100025796157 [0,0,0,0,1,0|3,0,0]=4 479 B9R1.13 CC(=Cc1ncco1)C 271570a_100102525489_100011787736 [0,0,0,0,1,0|2,0,0]=3 480 B9R1.13 CC(=Cc1nccs1)C 271570a_100102525489_100000211983 [0,0,0,0,1,0|2,1,0]=4 481 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [0,0,0,0,1,0|2,0,1]=4 482 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [0,0,0,0,1,0|2,0,1]=4 483 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,0,0,0,1,0|1,0,1]=3 484 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,0,0,0,1,0|0,0,1]=2 485 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,0,0,0,1,0|0,1,1]=3 486 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000070787_100000728653 [0,0,0,0,1,0|2,0,1]=4 487 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000752941_200000210301 [0,0,0,0,1,0|2,0,1]=4 488 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [0,0,0,0,1,0|2,0,1]=4 489 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [0,0,0,0,1,0|2,0,1]=4 490 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [0,0,0,0,1,0|2,0,1]=4 491 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [0,0,0,0,1,0|2,0,1]=4 492 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [0,0,0,0,1,0|1,1,1]=4 493 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [0,0,0,0,1,0|2,0,1]=4 494 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [0,0,0,0,1,0|2,0,1]=4 495 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,0,0,0,1,0|1,0,1]=3 496 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,0,0,0,1,0|1,1,1]=4 497 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [0,0,0,0,1,0|2,0,1]=4 498 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [0,0,0,0,1,0|2,0,1]=4 499 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [0,0,0,0,1,0|2,0,1]=4 500 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [0,0,0,0,1,0|2,0,1]=4 501 B9R1.13 CN(C)Cc1ccco1 2230a_100000185268_200000210301 [0,0,0,0,1,0|2,0,1]=4 502 B9R1.13 CN(C)Cc1ccco1 269982a_100000185268_200000210301 [0,0,0,0,1,0|2,0,1]=4 503 B9R1.13 CN(C)Cc1ccco1 270004a_100102631434_100000186105 [0,0,0,0,1,0|2,0,1]=4 504 B9R1.13 CN([13CH3])Cc1ccco1 2230a_100000185268_200025704644 [0,0,0,0,1,0|2,0,1]=4 505 B9R1.13 CN([13CH3])Cc1ccco1 269982a_100000185268_200025704644 [0,0,0,0,1,0|2,0,1]=4 506 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [0,0,0,0,1,0|2,0,1]=4 507 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,0,0,0,1,0|1,0,1]=3 508 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,0,0,0,1,0|0,0,1]=2 509 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,0,0,0,1,0|0,1,1]=3 510 B9R1.13 [13CH3]C(=O)Cc1ccn[nH]1 1458a_100000752941_200025704644 [0,0,0,0,1,0|2,0,1]=4 511 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [0,0,0,0,1,0|2,0,1]=4 512 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [0,0,0,0,1,0|2,0,1]=4 513 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [0,0,0,0,1,0|2,0,1]=4 514 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [0,0,0,0,1,0|2,0,1]=4 515 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [0,0,0,0,1,0|2,0,1]=4 516 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,0,0,0,0,1|1,0,2]=4 517 B11R1.91 CC(=O)C#Cc1ccccn1 1458a_102125277312_200000210301 [0,0,0,0,0,1|1,0,2]=4 518 B11R1.91 CC(=O)C=CC1=CCCCC1 1458a_100016289660_200000210301 [0,0,0,0,0,1|1,0,2]=4 519 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,0,0,0,0,1|1,0,0]=2 520 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,0,0,0,0,1|1,0,0]=2 521 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [0,0,0,0,0,1|1,0,0]=2 522 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [0,0,0,0,0,1|1,0,0]=2 523 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,0,0,0,0,1|1,0,2]=4 524 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,0,0,0,0,1|1,0,2]=4 525 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,0,0,0,0,1|1,0,2]=4 526 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,0,0,0,0,1|1,0,2]=4 527 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,0,0,0,0,1|1,0,2]=4 528 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,0,0,0,0,1|1,0,2]=4 529 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,0,0,0,0,1|1,0,2]=4 530 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,0,0,0,0,1|1,0,2]=4 531 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,0,0,0,0,1|2,0,1]=4 532 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,0,0,0,0,1|2,0,1]=4 533 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,0,0,0,0,1|2,0,1]=4 534 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,0,0,0,0,1|2,0,1]=4 535 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,0,0,0,0,1|2,0,1]=4 536 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [0,0,0,0,0,1|2,0,1]=4 537 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,0,0,0,0,1|2,0,1]=4 538 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,0,0,0,0,1|2,0,1]=4 539 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,0,0,0,0,1|2,0,1]=4 540 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,0,0,0,0,1|2,0,1]=4 541 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,0,0,0,0,1|2,0,1]=4 542 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,0,0,0,0,1|2,0,1]=4 543 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,0,0,0,0,1|2,0,1]=4 544 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,0,0,0,0,1|2,0,1]=4 545 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,0,0,0,0,1|2,0,1]=4 546 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,0,0,0,0,1|2,0,1]=4 547 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,0,0,0,0,1|2,0,1]=4 548 B11R1.91 CC(=O)NCc1cccnn1 11a_100159270163_100015343762 [0,0,0,0,0,1|2,0,1]=4 549 B11R1.91 CC(=O)NCc1cccnn1 240690a_100159270163_100015343762 [0,0,0,0,0,1|2,0,1]=4 550 B11R1.91 CC(=O)NCc1cccnn1 527a_100159270163_100103153847 [0,0,0,0,0,1|2,0,1]=4 551 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [0,0,0,0,0,1|2,0,1]=4 552 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [0,0,0,0,0,1|2,0,1]=4 553 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [0,0,0,0,0,1|2,0,1]=4 554 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [0,0,0,0,0,1|2,0,1]=4 555 B11R1.91 CC(=O)NCc1ccncn1 11a_100000736019_100015343762 [0,0,0,0,0,1|2,0,1]=4 556 B11R1.91 CC(=O)NCc1ccncn1 240690a_100000736019_100015343762 [0,0,0,0,0,1|2,0,1]=4 557 B11R1.91 CC(=O)NCc1ccncn1 527a_100000736019_100103153847 [0,0,0,0,0,1|2,0,1]=4 558 B11R1.91 CC(=O)NCc1cnccn1 11a_100000737960_100015343762 [0,0,0,0,0,1|2,0,1]=4 559 B11R1.91 CC(=O)NCc1cnccn1 240690a_100000737960_100015343762 [0,0,0,0,0,1|2,0,1]=4 560 B11R1.91 CC(=O)NCc1cnccn1 527a_100000737960_100103153847 [0,0,0,0,0,1|2,0,1]=4 561 B11R1.91 CC(=O)NCc1ncccn1 11a_100015189908_100015343762 [0,0,0,0,0,1|2,0,1]=4 562 B11R1.91 CC(=O)NCc1ncccn1 240690a_100015189908_100015343762 [0,0,0,0,0,1|2,0,1]=4 563 B11R1.91 CC(=O)NCc1ncccn1 527a_100015189908_100103153847 [0,0,0,0,0,1|2,0,1]=4 564 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,0,0,0,0,1|3,0,0]=4 565 B11R1.91 CC(=O)NNc1ccccn1 22a_100000183288_100000070787 [0,0,0,0,0,1|3,0,0]=4 566 B11R1.91 CC(=O)NNc1cccnc1 22a_100000728903_100000070787 [0,0,0,0,0,1|3,0,0]=4 567 B11R1.91 CC(=O)NNc1cccnn1 22a_100000757824_100000070787 [0,0,0,0,0,1|3,0,0]=4 568 B11R1.91 CC(=O)NNc1ccncc1 22a_100000698918_100000070787 [0,0,0,0,0,1|3,0,0]=4 569 B11R1.91 CC(=O)NNc1ccncn1 22a_100011438088_100000070787 [0,0,0,0,0,1|3,0,0]=4 570 B11R1.91 CC(=O)NNc1cnccn1 22a_100000736894_100000070787 [0,0,0,0,0,1|3,0,0]=4 571 B11R1.91 CC(=O)NNc1ncccn1 22a_100000736892_100000070787 [0,0,0,0,0,1|3,0,0]=4 572 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [0,0,0,0,0,1|2,0,1]=4 573 B11R1.91 CC(C)C=Cc1ccccn1 271570a_100016257149_100011216584 [0,0,0,0,0,1|2,0,1]=4 574 B11R1.91 CC(C)C=Cc1cccnc1 271570a_100016257149_100000752921 [0,0,0,0,0,1|2,0,1]=4 575 B11R1.91 CC(C)C=Cc1cccnn1 271570a_100016257149_100016991348 [0,0,0,0,0,1|2,0,1]=4 576 B11R1.91 CC(C)C=Cc1ccncc1 271570a_100016257149_100000035832 [0,0,0,0,0,1|2,0,1]=4 577 B11R1.91 CC(C)C=Cc1ccncn1 271570a_100016257149_100000703185 [0,0,0,0,0,1|2,0,1]=4 578 B11R1.91 CC(C)C=Cc1cnccn1 271570a_100016257149_100000758340 [0,0,0,0,0,1|2,0,1]=4 579 B11R1.91 CC(C)C=Cc1ncccn1 271570a_100016257149_100000211032 [0,0,0,0,0,1|2,0,1]=4 580 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [0,0,0,0,0,1|1,0,2]=4 581 B11R1.91 CC(O)C=Cc1ccccn1 271570a_200011019289_100011216584 [0,0,0,0,0,1|1,0,2]=4 582 B11R1.91 CC(O)C=Cc1cccnc1 271570a_200011019289_100000752921 [0,0,0,0,0,1|1,0,2]=4 583 B11R1.91 CC(O)C=Cc1cccnn1 271570a_200011019289_100016991348 [0,0,0,0,0,1|1,0,2]=4 584 B11R1.91 CC(O)C=Cc1ccncc1 271570a_200011019289_100000035832 [0,0,0,0,0,1|1,0,2]=4 585 B11R1.91 CC(O)C=Cc1ccncn1 271570a_200011019289_100000703185 [0,0,0,0,0,1|1,0,2]=4 586 B11R1.91 CC(O)C=Cc1cnccn1 271570a_200011019289_100000758340 [0,0,0,0,0,1|1,0,2]=4 587 B11R1.91 CC(O)C=Cc1ncccn1 271570a_200011019289_100000211032 [0,0,0,0,0,1|1,0,2]=4 588 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,0,0,0,0,1|1,0,2]=4 589 B11R1.91 [13CH3]C(=O)C#Cc1ccccn1 1458a_102125277312_200025704644 [0,0,0,0,0,1|1,0,2]=4 590 B11R1.91 [13CH3]C(=O)C=CC1=CCCCC1 1458a_100016289660_200025704644 [0,0,0,0,0,1|1,0,2]=4 591 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,0,0,0,0,1|1,0,0]=2 592 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,0,0,0,0,1|1,0,0]=2 593 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [0,0,0,0,0,1|1,0,0]=2 594 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [0,0,0,0,0,1|1,0,0]=2 595 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,0,0,0,0,1|1,0,2]=4 596 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,0,0,0,0,1|1,0,2]=4 597 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,0,0,0,0,1|1,0,2]=4 598 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,0,0,0,0,1|1,0,2]=4 599 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,0,0,0,0,1|2,0,1]=4 600 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,0,0,0,0,1|2,0,1]=4 601 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,0,0,0,0,1|2,0,1]=4 602 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,0,0,0,0,1|2,0,1]=4 603 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,0,0,0,0,1|2,0,1]=4 604 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [0,0,0,0,0,1|2,0,1]=4 605 B11R1.172 C=C(C)CCSc1ccco1 62a_100000730704_100009814098 [0,0,0,0,0,1|1,0,2]=4 606 B11R1.172 C=C(C)CCSc1ccco1 62a_100009814098_100000730704 [0,0,0,0,0,1|1,0,2]=4 607 B11R1.172 C=C(C)CNCc1ccco1 2230a_100000185738_100000748629 [0,0,0,0,0,1|1,0,2]=4 608 B11R1.172 C=C(C)CNCc1ccco1 34a_100000185738_100000748629 [0,0,0,0,0,1|1,0,2]=4 609 B11R1.172 C=C(C)COCc1ccco1 34a_100000210059_100000748629 [0,0,0,0,0,1|1,0,2]=4 610 B11R1.172 CC(=CCSc1ccco1)C 62a_100000761012_100009814098 [0,0,0,0,0,1|1,0,1]=3 611 B11R1.172 CC(=CCSc1ccco1)C 62a_100009814098_100000761012 [0,0,0,0,0,1|1,0,1]=3 612 B11R1.172 CC(=CCSc1cccs1)C 62a_100000761012_100011215356 [0,0,0,0,0,1|1,1,1]=4 613 B11R1.172 CC(=CCSc1cccs1)C 62a_100011215356_100000761012 [0,0,0,0,0,1|1,1,1]=4 614 B11R1.172 CC(=CCSc1cnco1)C 62a_100000761012_100020591547 [0,0,0,0,0,1|2,0,1]=4 615 B11R1.172 CC(=CCSc1cnco1)C 62a_100020591547_100000761012 [0,0,0,0,0,1|2,0,1]=4 616 B11R1.172 CC(=CCSc1ncco1)C 62a_100000761012_100011787736 [0,0,0,0,0,1|2,0,1]=4 617 B11R1.172 CC(=CCSc1ncco1)C 62a_100011787736_100000761012 [0,0,0,0,0,1|2,0,1]=4 618 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [0,0,0,0,0,1|0,1,2]=4 619 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [0,0,0,0,0,1|0,1,2]=4 620 B11R1.172 CC(=O)CCSc1ccco1 62a_100000053229_100009814098 [0,0,0,0,0,1|0,0,2]=3 621 B11R1.172 CC(=O)CCSc1ccco1 62a_100009814098_100000053229 [0,0,0,0,0,1|0,0,2]=3 622 B11R1.172 CC(=O)CCSc1cccs1 62a_100000053229_100011215356 [0,0,0,0,0,1|0,1,2]=4 623 B11R1.172 CC(=O)CCSc1cccs1 62a_100011215356_100000053229 [0,0,0,0,0,1|0,1,2]=4 624 B11R1.172 CC(=O)CCSc1cnco1 62a_100000053229_100020591547 [0,0,0,0,0,1|1,0,2]=4 625 B11R1.172 CC(=O)CCSc1cnco1 62a_100020591547_100000053229 [0,0,0,0,0,1|1,0,2]=4 626 B11R1.172 CC(=O)CCSc1ncco1 62a_100000053229_100011787736 [0,0,0,0,0,1|1,0,2]=4 627 B11R1.172 CC(=O)CCSc1ncco1 62a_100011787736_100000053229 [0,0,0,0,0,1|1,0,2]=4 628 B11R1.172 CC(=O)COCc1ncco1 34a_100000211253_103436540062 [0,0,0,0,0,1|1,0,2]=4 629 B11R1.172 CC(=O)NCCc1ccco1 11a_100000694680_100015343762 [0,0,0,0,0,1|0,0,2]=3 630 B11R1.172 CC(=O)NCCc1ccco1 1626a_100000694680_100015343762 [0,0,0,0,0,1|0,0,2]=3 631 B11R1.172 CC(=O)NCCc1ccco1 240690a_100000694680_100015343762 [0,0,0,0,0,1|0,0,2]=3 632 B11R1.172 CC(=O)NCCc1ccco1 527a_100000694680_100103153847 [0,0,0,0,0,1|0,0,2]=3 633 B11R1.172 CC(=O)NCCc1cccs1 11a_100000203755_100015343762 [0,0,0,0,0,1|0,1,2]=4 634 B11R1.172 CC(=O)NCCc1cccs1 1626a_100000203755_100015343762 [0,0,0,0,0,1|0,1,2]=4 635 B11R1.172 CC(=O)NCCc1cccs1 240690a_100000203755_100015343762 [0,0,0,0,0,1|0,1,2]=4 636 B11R1.172 CC(=O)NCCc1cccs1 527a_100000203755_100103153847 [0,0,0,0,0,1|0,1,2]=4 637 B11R1.172 CC(=O)NN=Cc1cc[nH]c1 4a_100000189765_100000760201 [0,0,0,0,0,1|3,0,0]=4 638 B11R1.172 CC(=O)NN=Cc1cc[nH]n1 4a_100000189765_100000738523 [0,0,0,0,0,1|3,0,0]=4 639 B11R1.172 CC(=O)NN=Cc1ccc[nH]1 4a_100000189765_100000211237 [0,0,0,0,0,1|2,0,0]=3 640 B11R1.172 CC(=O)NN=Cc1ccco1 4a_100000189765_100000186105 [0,0,0,0,0,1|1,0,0]=2 641 B11R1.172 CC(=O)NN=Cc1cccs1 4a_100000189765_100000209959 [0,0,0,0,0,1|1,1,0]=3 642 B11R1.172 CC(=O)NN=Cc1ccoc1 4a_100000189765_100011215517 [0,0,0,0,0,1|3,0,0]=4 643 B11R1.172 CC(=O)NN=Cc1ccsc1 4a_100000189765_100000188534 [0,0,0,0,0,1|3,0,0]=4 644 B11R1.172 CC(=O)NN=Cc1cnc[nH]1 4a_100000189765_100000742939 [0,0,0,0,0,1|3,0,0]=4 645 B11R1.172 CC(=O)NN=Cc1cnco1 4a_100000189765_100000064291 [0,0,0,0,0,1|2,0,0]=3 646 B11R1.172 CC(=O)NN=Cc1cncs1 4a_100000189765_100000749870 [0,0,0,0,0,1|2,1,0]=4 647 B11R1.172 CC(=O)NN=Cc1cocn1 4a_100000189765_100000050382 [0,0,0,0,0,1|3,0,0]=4 648 B11R1.172 CC(=O)NN=Cc1cscn1 4a_100000189765_100000743575 [0,0,0,0,0,1|3,0,0]=4 649 B11R1.172 CC(=O)NN=Cc1ncc[nH]1 4a_100000189765_100000743867 [0,0,0,0,0,1|3,0,0]=4 650 B11R1.172 CC(=O)NN=Cc1ncco1 4a_100000189765_100000064290 [0,0,0,0,0,1|2,0,0]=3 651 B11R1.172 CC(=O)NN=Cc1nccs1 4a_100000189765_100000750902 [0,0,0,0,0,1|2,1,0]=4 652 B11R1.172 CC(=O)OCSc1ccco1 62a_100000076356_100009814098 [0,0,0,0,0,1|1,0,1]=3 653 B11R1.172 CC(=O)OCSc1ccco1 62a_100009814098_100000076356 [0,0,0,0,0,1|1,0,1]=3 654 B11R1.172 CC(=O)OCSc1cccs1 62a_100000076356_100011215356 [0,0,0,0,0,1|1,1,1]=4 655 B11R1.172 CC(=O)OCSc1cccs1 62a_100011215356_100000076356 [0,0,0,0,0,1|1,1,1]=4 656 B11R1.172 CC(=O)OCSc1cnco1 62a_100000076356_100020591547 [0,0,0,0,0,1|2,0,1]=4 657 B11R1.172 CC(=O)OCSc1cnco1 62a_100020591547_100000076356 [0,0,0,0,0,1|2,0,1]=4 658 B11R1.172 CC(=O)OCSc1ncco1 62a_100000076356_100011787736 [0,0,0,0,0,1|2,0,1]=4 659 B11R1.172 CC(=O)OCSc1ncco1 62a_100011787736_100000076356 [0,0,0,0,0,1|2,0,1]=4 660 B11R1.172 CC(C)CC=Cc1ccco1 271570a_100016259101_100009814098 [0,0,0,0,0,1|1,0,1]=3 661 B11R1.172 CC(C)CC=Cc1cccs1 271570a_100016259101_100011215356 [0,0,0,0,0,1|1,1,1]=4 662 B11R1.172 CC(C)CC=Cc1cnco1 271570a_100016259101_100020591547 [0,0,0,0,0,1|2,0,1]=4 663 B11R1.172 CC(C)CC=Cc1ncco1 271570a_100016259101_100011787736 [0,0,0,0,0,1|2,0,1]=4 664 B11R1.172 CC(C)NN=Cc1ccco1 4a_100000741168_100000186105 [0,0,0,0,0,1|2,0,1]=4 665 B11R1.172 CN(C)CC=Cc1ccco1 270004a_100102631434_100000185671 [0,0,0,0,0,1|2,0,0]=3 666 B11R1.172 NC(=O)CCSc1ccco1 62a_100000744528_100009814098 [0,0,0,0,0,1|1,0,2]=4 667 B11R1.172 NC(=O)CCSc1ccco1 62a_100009814098_100000744528 [0,0,0,0,0,1|1,0,2]=4 668 B11R1.172 NC(=O)CNCc1ccco1 2230a_100000185738_100000747473 [0,0,0,0,0,1|1,0,2]=4 669 B11R1.172 NC(=O)CNCc1ccco1 34a_100000185738_100000187820 [0,0,0,0,0,1|1,0,2]=4 670 B11R1.172 NC(=O)COCc1ccco1 34a_100000210059_100000187820 [0,0,0,0,0,1|1,0,2]=4 671 B11R1.172 O=C([O-])CNCc1ccco1 34a_100000185738_100020667443 [0,0,0,0,0,1|1,0,2]=4 672 B11R1.172 O=C([O-])COCc1ccco1 34a_100000210059_100020667443 [0,0,0,0,0,1|1,0,2]=4 673 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [0,0,0,0,0,1|0,1,2]=4 674 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [1,0,1,0,0,0|0,0,2]=4 675 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [1,0,1,0,0,0|0,0,2]=4 676 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [2,0,0,0,0,0|0,0,1]=3 677 B8R1.8 C=C=Cc1cccs1 271570a_100015277604_100011215356 [2,0,0,0,0,0|0,1,1]=4 678 B8R1.8 C=C=Cc1cnco1 271570a_100015277604_100020591547 [2,0,0,0,0,0|1,0,1]=4 679 B8R1.8 C=C=Cc1ncco1 271570a_100015277604_100011787736 [2,0,0,0,0,0|1,0,1]=4 680 B8R1.8 CC=Cc1c[nH]cn1 271570a_100016259895_100000756875 [2,0,0,0,0,0|2,0,0]=4 681 B8R1.8 CC=Cc1cc[nH]n1 271570a_100016259895_100000062575 [2,0,0,0,0,0|2,0,0]=4 682 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [2,0,0,0,0,0|0,0,0]=2 683 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [2,0,0,0,0,0|0,1,0]=3 684 B8R1.8 CC=Cc1ccoc1 271570a_100016259895_100011215275 [2,0,0,0,0,0|2,0,0]=4 685 B8R1.8 CC=Cc1ccsc1 271570a_100016259895_100000738268 [2,0,0,0,0,0|2,0,0]=4 686 B8R1.8 CC=Cc1ccsn1 271570a_100016259895_100009818082 [2,0,0,0,0,0|2,0,0]=4 687 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [2,0,0,0,0,0|1,0,0]=3 688 B8R1.8 CC=Cc1cncs1 271570a_100016259895_100011934649 [2,0,0,0,0,0|1,1,0]=4 689 B8R1.8 CC=Cc1cscn1 271570a_100016259895_100000751502 [2,0,0,0,0,0|2,0,0]=4 690 B8R1.8 CC=Cc1ncc[nH]1 271570a_100016259895_100025796157 [2,0,0,0,0,0|2,0,0]=4 691 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [2,0,0,0,0,0|1,0,0]=3 692 B8R1.8 CC=Cc1nccs1 271570a_100016259895_100000211983 [2,0,0,0,0,0|1,1,0]=4 693 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [2,0,0,0,0,0|1,0,1]=4 694 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [2,0,0,0,0,0|1,0,1]=4 695 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [2,0,0,0,0,0|1,0,1]=4 696 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [2,0,0,0,0,0|1,0,1]=4 697 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [2,0,0,0,0,0|1,0,1]=4 698 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [2,0,0,0,0,0|1,0,1]=4 699 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [2,0,0,0,0,0|1,0,1]=4 700 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [2,0,0,0,0,0|1,0,1]=4 701 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [2,0,0,0,0,0|1,0,1]=4 702 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [2,0,0,0,0,0|1,0,1]=4 703 B10R0.4 CC=CC=CC=NNC(=O)C 4a_100000189765_100000691131 [0,1,1,0,0,0|2,0,0]=4 704 B10R0.74 C=CCOC/C=C/C(=O)OC 34a_200000210373_100000742655 [0,1,1,0,0,0|0,0,2]=4 705 B10R0.108 C=CCC(=O)C=CC(=O)NC 1458a_100016259477_100000210623 [0,1,1,0,0,0|0,0,2]=4 706 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [1,1,0,0,0,0|1,0,1]=4 707 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [1,1,0,0,0,0|1,0,1]=4 708 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [1,1,0,0,0,0|1,0,1]=4 709 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [1,1,0,0,0,0|1,0,1]=4 710 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [1,1,0,0,0,0|1,0,1]=4 711 B10R1.21 C/C=C/CSc1ccco1 62a_100009814098_100102629194 [1,1,0,0,0,0|0,0,1]=3 712 B10R1.21 C/C=C/CSc1ccco1 62a_100102629194_100009814098 [1,1,0,0,0,0|0,0,1]=3 713 B10R1.21 C/C=C/CSc1cccs1 62a_100011215356_100102629194 [1,1,0,0,0,0|0,1,1]=4 714 B10R1.21 C/C=C/CSc1cccs1 62a_100102629194_100011215356 [1,1,0,0,0,0|0,1,1]=4 715 B10R1.21 C/C=C/CSc1cnco1 62a_100020591547_100102629194 [1,1,0,0,0,0|1,0,1]=4 716 B10R1.21 C/C=C/CSc1cnco1 62a_100102629194_100020591547 [1,1,0,0,0,0|1,0,1]=4 717 B10R1.21 C/C=C/CSc1ncco1 62a_100011787736_100102629194 [1,1,0,0,0,0|1,0,1]=4 718 B10R1.21 C/C=C/CSc1ncco1 62a_100102629194_100011787736 [1,1,0,0,0,0|1,0,1]=4 719 B10R1.21 CC=CCSc1ccco1 62a_100000070051_100009814098 [1,1,0,0,0,0|0,0,1]=3 720 B10R1.21 CC=CCSc1ccco1 62a_100009814098_100000070051 [1,1,0,0,0,0|0,0,1]=3 721 B10R1.21 CC=CCSc1cccs1 62a_100000070051_100011215356 [1,1,0,0,0,0|0,1,1]=4 722 B10R1.21 CC=CCSc1cccs1 62a_100011215356_100000070051 [1,1,0,0,0,0|0,1,1]=4 723 B10R1.21 CC=CCSc1cnco1 62a_100000070051_100020591547 [1,1,0,0,0,0|1,0,1]=4 724 B10R1.21 CC=CCSc1cnco1 62a_100020591547_100000070051 [1,1,0,0,0,0|1,0,1]=4 725 B10R1.21 CC=CCSc1ncco1 62a_100000070051_100011787736 [1,1,0,0,0,0|1,0,1]=4 726 B10R1.21 CC=CCSc1ncco1 62a_100011787736_100000070051 [1,1,0,0,0,0|1,0,1]=4 727 B10R1.21 CCCC=Cc1ccco1 271570a_100016258520_100009814098 [1,1,0,0,0,0|0,0,1]=3 728 B10R1.21 CCCC=Cc1cccs1 271570a_100016258520_100011215356 [1,1,0,0,0,0|0,1,1]=4 729 B10R1.21 CCCC=Cc1cnco1 271570a_100016258520_100020591547 [1,1,0,0,0,0|1,0,1]=4 730 B10R1.21 CCCC=Cc1ncco1 271570a_100016258520_100011787736 [1,1,0,0,0,0|1,0,1]=4 731 B10R1.21 CCNN=Cc1ccco1 4a_100000756455_100000186105 [1,1,0,0,0,0|1,0,1]=4 732 B10R1.21 CCOC=Cc1ccco1 271570a_100016256518_100009814098 [1,1,0,0,0,0|0,0,1]=3 733 B10R1.21 CCOC=Cc1cccs1 271570a_100016256518_100011215356 [1,1,0,0,0,0|0,1,1]=4 734 B10R1.21 CCOC=Cc1cnco1 271570a_100016256518_100020591547 [1,1,0,0,0,0|1,0,1]=4 735 B10R1.21 CCOC=Cc1ncco1 271570a_100016256518_100011787736 [1,1,0,0,0,0|1,0,1]=4 736 B10R1.21 CNCC=Cc1ccco1 270004a_106832991635_100000185671 [1,1,0,0,0,0|0,0,1]=3 737 B10R1.21 COCC=Cc1ccco1 271570a_100016286323_100009814098 [1,1,0,0,0,0|0,0,1]=3 738 B10R1.21 COCC=Cc1cccs1 271570a_100016286323_100011215356 [1,1,0,0,0,0|0,1,1]=4 739 B10R1.21 COCC=Cc1cnco1 271570a_100016286323_100020591547 [1,1,0,0,0,0|1,0,1]=4 740 B10R1.21 COCC=Cc1ncco1 271570a_100016286323_100011787736 [1,1,0,0,0,0|1,0,1]=4 741 B10R1.21 O=CCNCc1ccco1 2230a_100000185738_200015260668 [1,1,0,0,0,0|0,0,2]=4 742 B10R1.21 O=CCNCc1ccco1 34a_100000185738_200009817547 [1,1,0,0,0,0|0,0,2]=4 743 B10R1.21 O=CCOCc1ccco1 34a_100000210059_200009817547 [1,1,0,0,0,0|0,0,2]=4 744 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [1,1,0,0,0,0|0,0,2]=4 745 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [1,1,0,0,0,0|1,0,1]=4 746 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [1,1,0,0,0,0|1,0,1]=4 747 B10R1.23 CC(=C(C)c1ccco1)C 271570a_200000049429_100009814098 [0,1,0,0,1,0|1,0,0]=3 748 B10R1.23 CC(=C(C)c1cccs1)C 271570a_200000049429_100011215356 [0,1,0,0,1,0|1,1,0]=4 749 B10R1.23 CC(=C(C)c1cnco1)C 271570a_200000049429_100020591547 [0,1,0,0,1,0|2,0,0]=4 750 B10R1.23 CC(=C(C)c1ncco1)C 271570a_200000049429_100011787736 [0,1,0,0,1,0|2,0,0]=4 751 B10R1.54 CC(=Cc1cc(cs1)C)C 271570a_100102525489_100009876951 [0,1,0,0,1,0|1,1,0]=4 752 B10R1.54 CC(=Cc1ccc(s1)Br)C 271570a_100102525489_100010197418 [0,1,0,0,1,0|1,1,0]=4 753 B10R1.54 CC(=Cc1ccc(s1)C)C 271570a_100102525489_100000761539 [0,1,0,0,1,0|1,1,0]=4 754 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100000070787_100000746031 [0,1,0,0,1,0|0,1,1]=4 755 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100011542370_200000210301 [0,1,0,0,1,0|0,1,1]=4 756 B10R1.54 CC(=O)Cc1cc(no1)Br 1458a_100000070787_100000709089 [0,1,0,0,1,0|1,0,1]=4 757 B10R1.54 CC(=O)Cc1cc(no1)C 1458a_100000037866_200000210301 [0,1,0,0,1,0|1,0,1]=4 758 B10R1.54 CC(=O)Cc1cc(no1)C 1458a_100000070787_100000707947 [0,1,0,0,1,0|1,0,1]=4 759 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000070787_100000708592 [0,1,0,0,1,0|0,1,1]=4 760 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000238643_200000210301 [0,1,0,0,1,0|0,1,1]=4 761 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000070787_100000185097 [0,1,0,0,1,0|0,1,1]=4 762 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_200000210301 [0,1,0,0,1,0|0,1,1]=4 763 B10R1.54 CC(=O)Nc1ccc(s1)O 271570a_203496583355_100010002808 [0,1,0,0,1,0|1,1,0]=4 764 B10R1.54 Cc1cc(on1)CC(=O)[13CH3] 1458a_100000037866_200025704644 [0,1,0,0,1,0|1,0,1]=4 765 B10R1.54 [13CH3]C(=O)Cc1cc(cs1)Br 1458a_100011542370_200025704644 [0,1,0,0,1,0|0,1,1]=4 766 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Br 1458a_100000238643_200025704644 [0,1,0,0,1,0|0,1,1]=4 767 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Cl 1458a_100000238644_200025704644 [0,1,0,0,1,0|0,1,1]=4 768 B10R1.64 CC(=Cc1sccc1Br)C 271570a_100102525489_100012361411 [0,1,0,0,1,0|1,1,0]=4 769 B10R1.64 CC(=Cc1sccc1C)C 271570a_100102525489_100000742657 [0,1,0,0,1,0|1,1,0]=4 770 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [0,1,0,0,0,1|1,0,0]=3 771 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [0,1,0,0,0,1|1,0,0]=3 772 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [0,1,0,0,0,1|1,0,0]=3 773 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [0,1,0,0,0,1|1,0,0]=3 774 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [0,1,0,0,0,1|1,0,0]=3 775 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [0,1,0,0,0,1|1,0,0]=3 776 B12R1.21 CC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200000210301 [0,1,0,0,0,1|1,0,0]=3 777 B12R1.21 CC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200000210301 [0,1,0,0,0,1|1,0,0]=3 778 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [0,1,0,0,0,1|1,0,0]=3 779 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [0,1,0,0,0,1|1,0,0]=3 780 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [0,1,0,0,0,1|1,0,0]=3 781 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [0,1,0,0,0,1|1,0,0]=3 782 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [0,1,0,0,0,1|1,0,0]=3 783 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200025704644 [0,1,0,0,0,1|1,0,0]=3 784 B12R1.21 [13CH3]C(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200025704644 [0,1,0,0,0,1|1,0,0]=3 785 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [0,1,0,0,0,1|1,0,0]=3 786 B12R1.27 CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210202 [0,1,0,0,0,1|1,0,0]=3 787 B12R1.27 CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210202 [0,1,0,0,0,1|1,0,0]=3 788 B12R1.27 CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210202 [0,1,0,0,0,1|1,0,0]=3 789 B12R1.27 CCC(=O)C=Cc1cncnc1 6a_100000749868_100000211110 [0,1,0,0,0,1|2,0,0]=4 790 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [0,1,0,0,0,1|1,0,0]=3 791 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [0,1,0,0,0,1|1,0,0]=3 792 B12R1.27 CNC(=O)C=Cc1ccccn1 11a_106832991635_100000740811 [0,1,0,0,0,1|1,0,0]=3 793 B12R1.27 CNC(=O)C=Cc1ccccn1 240690a_100102657272_100000740811 [0,1,0,0,0,1|1,0,0]=3 794 B12R1.27 CNC(=O)C=Cc1cccnc1 11a_106832991635_100000735890 [0,1,0,0,0,1|1,0,0]=3 795 B12R1.27 CNC(=O)C=Cc1cccnc1 240690a_100102657272_100000735890 [0,1,0,0,0,1|1,0,0]=3 796 B12R1.27 CNC(=O)C=Cc1ccncc1 240690a_100102657272_100000682801 [0,1,0,0,0,1|1,0,0]=3 797 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [0,1,0,0,0,1|1,0,0]=3 798 B12R1.27 O=C(C=Cc1ccccn1)CF 1458a_100000740811_100015361967 [0,1,0,0,0,1|1,0,0]=3 799 B12R1.27 O=C(C=Cc1cccnc1)CF 1458a_100000735890_100015361967 [0,1,0,0,0,1|1,0,0]=3 800 B12R1.27 O=C(C=Cc1ccncc1)CF 1458a_100000682801_100015361967 [0,1,0,0,0,1|1,0,0]=3 801 B12R1.27 O=C(C=Cc1cncnc1)CBr 6a_100000749868_100009888967 [0,1,0,0,0,1|2,0,0]=4 802 B12R1.27 O=C(C=Cc1cncnc1)CCl 6a_100000749868_100000086384 [0,1,0,0,0,1|2,0,0]=4 803 B12R1.27 O=C(C=Cc1cncnc1)CF 6a_100000749868_100000764096 [0,1,0,0,0,1|2,0,0]=4 804 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,1,0,0,0,1|1,0,0]=3 805 B12R1.43 C/C(=C\c1ccccn1)/C(=O)[13CH3] 1458a_100025712827_200025704644 [0,1,0,0,0,1|1,0,0]=3 806 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,1,0,0,0,1|1,0,0]=3 807 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,1,0,0,0,1|1,0,0]=3 808 B12R1.43 CC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_200000210301 [0,1,0,0,0,1|1,0,0]=3 809 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,1,0,0,0,1|1,0,0]=3 810 B12R1.43 CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_200000210301 [0,1,0,0,0,1|1,0,0]=3 811 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,1,0,0,0,1|2,0,0]=4 812 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,1,0,0,0,1|1,0,0]=3 813 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,1,0,0,0,1|1,0,0]=3 814 B12R1.43 [13CH3]C(=O)C(=Cc1cccnc1)F 1458a_100000731744_200025704644 [0,1,0,0,0,1|1,0,0]=3 815 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,1,0,0,0,1|2,0,0]=4 816 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,1,0,0,0,1|1,0,0]=3 817 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,1,0,0,0,1|1,0,0]=3 818 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,1,0,0,0,1|1,0,1]=4 819 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [0,1,0,0,0,1|1,0,1]=4 820 B12R1.107 CC(=O)CC(=O)c1cccnc1 1458a_100000070787_100015188593 [0,1,0,0,0,1|1,0,1]=4 821 B12R1.107 CC(=O)CC(=O)c1ccncc1 1458a_100000070787_100000027454 [0,1,0,0,0,1|1,0,1]=4 822 B12R1.107 CC(=O)CC(=O)c1ncccn1 1458a_100000070787_100020636365 [0,1,0,0,0,1|1,0,1]=4 823 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [0,1,0,0,0,1|1,0,0]=3 824 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [0,1,0,0,0,1|1,0,0]=3 825 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [0,1,0,0,0,1|1,0,0]=3 826 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [0,1,0,0,0,1|1,0,0]=3 827 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [0,1,0,0,0,1|1,0,0]=3 828 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [0,1,0,0,0,1|1,0,0]=3 829 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [0,1,0,0,0,1|1,0,0]=3 830 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [0,1,0,0,0,1|1,0,0]=3 831 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [0,1,0,0,0,1|1,0,0]=3 832 B12R1.226 CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000210301 [0,1,0,0,0,1|1,0,0]=3 833 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [0,1,0,0,0,1|1,0,0]=3 834 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000210301 [0,1,0,0,0,1|1,0,0]=3 835 B12R1.226 CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000210301 [0,1,0,0,0,1|1,0,0]=3 836 B12R1.226 CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000210301 [0,1,0,0,0,1|1,0,0]=3 837 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [0,1,0,0,0,1|1,0,0]=3 838 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200025704644 [0,1,0,0,0,1|1,0,0]=3 839 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200025704644 [0,1,0,0,0,1|1,0,0]=3 840 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)F 1458a_100000718793_200025704644 [0,1,0,0,0,1|1,0,0]=3 841 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)I 1458a_100020647043_200025704644 [0,1,0,0,0,1|1,0,0]=3 842 B12R1.54 CC(=O)CCC(=O)c1cccs1 1458a_100000070787_100011290775 [0,1,0,0,0,1|0,1,1]=4 843 B12R1.54 CC(=O)CNC(=O)c1ccco1 1458a_200000183647_200000210301 [0,1,0,0,0,1|0,0,1]=3 844 B12R1.54 CC(=O)CNC(=O)c1cccs1 1458a_100000183069_200000210301 [0,1,0,0,0,1|0,1,1]=4 845 B12R1.54 CC(=O)NCC(O)c1ccco1 527a_100000738650_100103153847 [0,1,0,0,0,1|0,0,2]=4 846 B12R1.54 CC(=O)NN=C(C)c1ccc[nH]1 4a_100000189765_100000183661 [0,1,0,0,0,1|2,0,0]=4 847 B12R1.54 CC(=O)NN=C(C)c1ccco1 4a_100000189765_100000210965 [0,1,0,0,0,1|1,0,0]=3 848 B12R1.54 CC(=O)NN=C(C)c1cccs1 4a_100000189765_100000185736 [0,1,0,0,0,1|1,1,0]=4 849 B12R1.54 CC(=O)NN=C(C)c1ccno1 4a_100000189765_100009863766 [0,1,0,0,0,1|2,0,0]=4 850 B12R1.54 CC(=O)NNC(=O)c1ccc[nH]1 22a_100000018271_100000070787 [0,1,0,0,0,1|2,0,0]=4 851 B12R1.54 CC(=O)NNC(=O)c1ccco1 22a_100000185077_100000070787 [0,1,0,0,0,1|1,0,0]=3 852 B12R1.54 CC(=O)NNC(=O)c1cccs1 22a_100000184746_100000070787 [0,1,0,0,0,1|1,1,0]=4 853 B12R1.54 [13CH3]C(=O)CNC(=O)c1ccco1 1458a_200000183647_200025704644 [0,1,0,0,0,1|0,0,1]=3 854 B12R1.54 [13CH3]C(=O)CNC(=O)c1cccs1 1458a_100000183069_200025704644 [0,1,0,0,0,1|0,1,1]=4 855 B12R1.105 CC(=O)NCCc1ccc(o1)C 11a_100000739271_100015343762 [0,1,0,0,0,1|0,0,2]=4 856 B12R1.105 CC(=O)NCCc1ccc(o1)C 1626a_100000739271_100015343762 [0,1,0,0,0,1|0,0,2]=4 857 B12R1.105 CC(=O)NCCc1ccc(o1)C 527a_100000739271_100103153847 [0,1,0,0,0,1|0,0,2]=4 858 B12R1.105 CC(=O)NN=Cc1cc(c[nH]1)Br 4a_100000189765_100000720742 [0,1,0,0,0,1|2,0,0]=4 859 B12R1.105 CC(=O)NN=Cc1cc(c[nH]1)I 4a_100000189765_100000071964 [0,1,0,0,0,1|2,0,0]=4 860 B12R1.105 CC(=O)NN=Cc1cc(co1)Br 4a_100000189765_100000747035 [0,1,0,0,0,1|1,0,0]=3 861 B12R1.105 CC(=O)NN=Cc1cc(cs1)Br 4a_100000189765_100000211722 [0,1,0,0,0,1|1,1,0]=4 862 B12R1.105 CC(=O)NN=Cc1cc(cs1)C 4a_100000189765_100102525248 [0,1,0,0,0,1|1,1,0]=4 863 B12R1.105 CC(=O)NN=Cc1cc(cs1)Cl 4a_100000189765_100000102487 [0,1,0,0,0,1|1,1,0]=4 864 B12R1.105 CC(=O)NN=Cc1cc(cs1)I 4a_100000189765_100010179861 [0,1,0,0,0,1|1,1,0]=4 865 B12R1.105 CC(=O)NN=Cc1cc(no1)Br 4a_100000189765_100009819588 [0,1,0,0,0,1|2,0,0]=4 866 B12R1.105 CC(=O)NN=Cc1cc(no1)C 4a_100000189765_100011794430 [0,1,0,0,0,1|2,0,0]=4 867 B12R1.105 CC(=O)NN=Cc1ccc([nH]1)Br 4a_100000189765_100009875417 [0,1,0,0,0,1|2,0,0]=4 868 B12R1.105 CC(=O)NN=Cc1ccc([nH]1)C 4a_100000189765_100000050815 [0,1,0,0,0,1|2,0,0]=4 869 B12R1.105 CC(=O)NN=Cc1ccc(o1)Br 4a_100000189765_100000185145 [0,1,0,0,0,1|1,0,0]=3 870 B12R1.105 CC(=O)NN=Cc1ccc(o1)C 4a_100000189765_100000183696 [0,1,0,0,0,1|1,0,0]=3 871 B12R1.105 CC(=O)NN=Cc1ccc(o1)Cl 4a_100000189765_100000188459 [0,1,0,0,0,1|1,0,0]=3 872 B12R1.105 CC(=O)NN=Cc1ccc(o1)I 4a_100000189765_100000186757 [0,1,0,0,0,1|1,0,0]=3 873 B12R1.105 CC(=O)NN=Cc1ccc(s1)Br 4a_100000189765_100000179771 [0,1,0,0,0,1|1,1,0]=4 874 B12R1.105 CC(=O)NN=Cc1ccc(s1)C 4a_100000189765_100000211121 [0,1,0,0,0,1|1,1,0]=4 875 B12R1.105 CC(=O)NN=Cc1ccc(s1)Cl 4a_100000189765_100000242774 [0,1,0,0,0,1|1,1,0]=4 876 B12R1.105 CC(=O)NN=Cc1cnc(o1)C 4a_100000189765_100000084308 [0,1,0,0,0,1|2,0,0]=4 877 B12R1.130 CC(=O)NN=Cc1[nH]ccc1C 4a_100000189765_100000131215 [0,1,0,0,0,1|2,0,0]=4 878 B12R1.130 CC(=O)NN=Cc1cccn1C 4a_100000189765_100000211633 [0,1,0,0,0,1|2,0,0]=4 879 B12R1.130 CC(=O)NN=Cc1occc1Br 4a_100000189765_100000756499 [0,1,0,0,0,1|1,0,0]=3 880 B12R1.130 CC(=O)NN=Cc1occc1C 4a_100000189765_100000763527 [0,1,0,0,0,1|1,0,0]=3 881 B12R1.130 CC(=O)NN=Cc1sccc1Br 4a_100000189765_100000766043 [0,1,0,0,0,1|1,1,0]=4 882 B12R1.130 CC(=O)NN=Cc1sccc1C 4a_100000189765_100000210881 [0,1,0,0,0,1|1,1,0]=4 883 B12R1.130 CC(=O)NN=Cc1sccc1Cl 4a_100000189765_100000722334 [0,1,0,0,0,1|1,1,0]=4 884 B12R1.260 C=C(C)CC(=O)Cc1ccco1 1458a_100011217309_100000748629 [0,1,0,0,0,1|1,0,1]=4 885 B12R1.260 CC(=CC(=O)Cc1ncco1)C 1458a_100000211388_103436540062 [0,1,0,0,0,1|2,0,0]=4 886 B12R1.260 CC(=CC(=O)Cc1ncco1)Cl 1458a_200042562850_103436540062 [0,1,0,0,0,1|2,0,0]=4 887 B12R1.260 CC(=CC(=O)Cc1ncco1)I 1458a_100025716642_103436540062 [0,1,0,0,0,1|2,0,0]=4 888 B12R1.260 CC(=O)OC(C)Sc1ccco1 62a_100009814098_100009818208 [0,1,0,0,0,1|1,0,1]=4 889 B12R1.260 CC(=O)OC(C)Sc1ccco1 62a_100009818208_100009814098 [0,1,0,0,0,1|1,0,1]=4 890 B12R1.260 NC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000187820 [0,1,0,0,0,1|1,0,1]=4 891 B12R1.260 O=C([O-])CC(=O)Cc1ccco1 1458a_100011217309_100020667443 [0,1,0,0,0,1|1,0,1]=4 892 B12R1.264 C=C(C)C(=O)NCc1ccco1 11a_100000185738_100000185857 [0,1,0,0,0,1|1,0,1]=4 893 B12R1.264 C=C(C)C(=O)NCc1ccco1 1626a_100000185738_100000185857 [0,1,0,0,0,1|1,0,1]=4 894 B12R1.264 CC(=O)C(=O)CSc1ccco1 62a_100009814098_100011261029 [0,1,0,0,0,1|0,0,1]=3 895 B12R1.264 CC(=O)C(=O)CSc1ccco1 62a_100011261029_100009814098 [0,1,0,0,0,1|0,0,1]=3 896 B12R1.264 CC(=O)C(=O)CSc1cccs1 62a_100011215356_100011261029 [0,1,0,0,0,1|0,1,1]=4 897 B12R1.264 CC(=O)C(=O)CSc1cccs1 62a_100011261029_100011215356 [0,1,0,0,0,1|0,1,1]=4 898 B12R1.264 CC(=O)C(=O)CSc1cnco1 62a_100011261029_100020591547 [0,1,0,0,0,1|1,0,1]=4 899 B12R1.264 CC(=O)C(=O)CSc1cnco1 62a_100020591547_100011261029 [0,1,0,0,0,1|1,0,1]=4 900 B12R1.264 CC(=O)C(=O)CSc1ncco1 62a_100011261029_100011787736 [0,1,0,0,0,1|1,0,1]=4 901 B12R1.264 CC(=O)C(=O)CSc1ncco1 62a_100011787736_100011261029 [0,1,0,0,0,1|1,0,1]=4 902 B12R1.264 CC(=O)C(C)NCc1ccco1 2230a_100000185738_100009814033 [0,1,0,0,0,1|0,0,2]=4 903 B12R1.264 NC(=O)C(=O)NCc1ccco1 240690a_100000185738_100011215815 [0,1,0,0,0,1|1,0,1]=4 904 B12R1.477 CCC(=O)NCCc1ccco1 11a_100000694680_100000210414 [0,1,0,0,0,1|0,0,2]=4 905 B12R1.477 CCC(=O)NCCc1ccco1 1626a_100000694680_100000210414 [0,1,0,0,0,1|0,0,2]=4 906 B12R1.477 CCC(=O)NCCc1ccco1 240690a_100000694680_100000210414 [0,1,0,0,0,1|0,0,2]=4 907 B12R1.477 CCC(=O)NCCc1ccco1 527a_100000694680_100000210414 [0,1,0,0,0,1|0,0,2]=4 908 B12R1.477 CCC(=O)NN=Cc1ccc[nH]1 4a_100000183195_100000211237 [0,1,0,0,0,1|2,0,0]=4 909 B12R1.477 CCC(=O)NN=Cc1ccco1 4a_100000183195_100000186105 [0,1,0,0,0,1|1,0,0]=3 910 B12R1.477 CCC(=O)NN=Cc1cccs1 4a_100000183195_100000209959 [0,1,0,0,0,1|1,1,0]=4 911 B12R1.477 CCC(=O)NN=Cc1cnco1 4a_100000183195_100000064291 [0,1,0,0,0,1|2,0,0]=4 912 B12R1.477 CCC(=O)NN=Cc1ncco1 4a_100000183195_100000064290 [0,1,0,0,0,1|2,0,0]=4 913 B12R1.477 CNC(=O)CCSc1ccco1 62a_100000737683_100009814098 [0,1,0,0,0,1|0,0,2]=4 914 B12R1.477 CNC(=O)CCSc1ccco1 62a_100009814098_100000737683 [0,1,0,0,0,1|0,0,2]=4 915 B12R1.477 CNC(=O)CNCc1ccco1 207a_100000693194_100000186105 [0,1,0,0,0,1|0,0,2]=4 916 B12R1.477 CNC(=O)CNCc1ccco1 2230a_100000185738_100000183359 [0,1,0,0,0,1|0,0,2]=4 917 B12R1.477 CNC(=O)CNCc1ccco1 270004a_100000693194_100000186105 [0,1,0,0,0,1|0,0,2]=4 918 B12R1.477 CNC(=O)CNCc1ccco1 34a_100000185738_100000183359 [0,1,0,0,0,1|0,0,2]=4 919 B12R1.477 CNC(=O)COCc1ccco1 34a_100000210059_100000183359 [0,1,0,0,0,1|0,0,2]=4 920 B12R1.477 CNC(=O)NCCc1ccco1 2708a_100000694680_106832991635 [0,1,0,0,0,1|0,0,2]=4 921 B12R1.477 CNC(=O)NCCc1ccco1 2708a_100102657272_100000694680 [0,1,0,0,0,1|0,0,2]=4 922 B12R1.477 CNC(=O)NCCc1ccco1 273464a_100000694680_100102657272 [0,1,0,0,0,1|0,0,2]=4 923 B12R1.477 CNC(=O)NCCc1ccco1 512a_100000694680_100102657272 [0,1,0,0,0,1|0,0,2]=4 924 B12R1.477 CNC(=O)NCCc1ccco1 512a_106832991638_100000694680 [0,1,0,0,0,1|0,0,2]=4 925 B12R1.477 COC(=O)CCSc1ccco1 62a_100000204255_100009814098 [0,1,0,0,0,1|0,0,2]=4 926 B12R1.477 COC(=O)CCSc1ccco1 62a_100009814098_100000204255 [0,1,0,0,0,1|0,0,2]=4 927 B12R1.477 COC(=O)CNCc1ccco1 2230a_100000185738_100000747449 [0,1,0,0,0,1|0,0,2]=4 928 B12R1.477 COC(=O)CNCc1ccco1 34a_100000185738_100000747449 [0,1,0,0,0,1|0,0,2]=4 929 B12R1.477 COC(=O)COCc1ccco1 34a_100000210059_100000747449 [0,1,0,0,0,1|0,0,2]=4 930 B12R1.477 COC(=O)OCSc1ccco1 62a_100009814098_100000139417 [0,1,0,0,0,1|1,0,1]=4 931 B12R1.477 O=C(CO)NCCc1ccco1 240690a_100000694680_100000210174 [0,1,0,0,0,1|0,0,2]=4 932 B12R1.477 O=C(CO)NCCc1ccco1 527a_100000694680_100000210174 [0,1,0,0,0,1|0,0,2]=4 933 B12R1.890 C[Si](C)(C)/C=C/Cc1ccco1 271570a_100160482004_100009814098 [0,1,0,0,0,1|1,1,0]=4 934 B12R1.15 C#CC(=O)CC(=O)c1ccco1 1458a_100000211873_100000211439 [0,2,0,0,0,0|0,0,2]=4 935 B12R1.15 C=CC(=O)CC(=O)c1ccco1 1458a_100000185746_100000211439 [0,2,0,0,0,0|0,0,2]=4 936 B12R1.15 CCC(=O)CC(=O)c1ccc[nH]1 1458a_100000210414_200011262396 [0,2,0,0,0,0|1,0,1]=4 937 B12R1.15 CCC(=O)CC(=O)c1ccco1 1458a_100000210414_100000211439 [0,2,0,0,0,0|0,0,1]=3 938 B12R1.15 CCC(=O)CC(=O)c1cccs1 1458a_100000210414_100000211436 [0,2,0,0,0,0|0,1,1]=4 939 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 11a_100160469435_100000210414 [0,2,0,0,0,0|1,0,1]=4 940 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100000210414 [0,2,0,0,0,0|1,0,1]=4 941 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100000210414 [0,2,0,0,0,0|1,0,1]=4 942 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 527a_100160469435_100000210414 [0,2,0,0,0,0|1,0,1]=4 943 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 2708a_100102657272_100160469435 [0,2,0,0,0,0|1,0,1]=4 944 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 2708a_100160469435_106832991635 [0,2,0,0,0,0|1,0,1]=4 945 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 273464a_100102657272_100160469435 [0,2,0,0,0,0|1,0,1]=4 946 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 273464a_100160469435_100102657272 [0,2,0,0,0,0|1,0,1]=4 947 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 512a_100160469435_100102657272 [0,2,0,0,0,0|1,0,1]=4 948 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 512a_106832991638_100160469435 [0,2,0,0,0,0|1,0,1]=4 949 B12R1.15 C[C@@H](NC(=O)CO)c1ccco1 240690a_100160469435_100000210174 [0,2,0,0,0,0|1,0,1]=4 950 B12R1.15 C[C@@H](NC(=O)CO)c1ccco1 527a_100160469435_100000210174 [0,2,0,0,0,0|1,0,1]=4 951 B12R1.15 O=C(CO)CC(=O)c1ccc[nH]1 1458a_100000210174_200011262396 [0,2,0,0,0,0|1,0,1]=4 952 B12R1.15 O=C(CO)CC(=O)c1ccco1 1458a_100000210174_100000211439 [0,2,0,0,0,0|0,0,1]=3 953 B12R1.15 O=C(CO)CC(=O)c1cccs1 1458a_100000210174_100000211436 [0,2,0,0,0,0|0,1,1]=4 954 B12R1.26 CCC(=O)C=Cc1cc(c[nH]1)I 6a_100000071964_100000211110 [0,2,0,0,0,0|1,0,0]=3 955 B12R1.26 CCC(=O)C=Cc1cc(co1)Br 6a_100000747035_100000211110 [0,2,0,0,0,0|0,0,0]=2 956 B12R1.26 CCC(=O)C=Cc1cc(cs1)Br 1458a_100102601599_100000210202 [0,2,0,0,0,0|0,1,0]=3 957 B12R1.26 CCC(=O)C=Cc1cc(cs1)Br 6a_100000211722_100000211110 [0,2,0,0,0,0|0,1,0]=3 958 B12R1.26 CCC(=O)C=Cc1cc(cs1)I 6a_100010179861_100000211110 [0,2,0,0,0,0|0,1,0]=3 959 B12R1.26 CCC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_100000210202 [0,2,0,0,0,0|0,0,0]=2 960 B12R1.26 CCC(=O)C=Cc1ccc(o1)C 1458a_100000183563_100000210202 [0,2,0,0,0,0|0,0,0]=2 961 B12R1.26 CCC(=O)C=Cc1ccc(o1)I 1458a_100000679848_100000210202 [0,2,0,0,0,0|0,0,0]=2 962 B12R1.26 CCC(=O)C=Cc1ccc(o1)I 6a_100000186757_100000211110 [0,2,0,0,0,0|0,0,0]=2 963 B12R1.26 CCC(=O)C=Cc1ccc(s1)Br 1458a_100102558031_100000210202 [0,2,0,0,0,0|0,1,0]=3 964 B12R1.26 CCC(=O)C=Cc1ccc(s1)C 1458a_100102558089_100000210202 [0,2,0,0,0,0|0,1,0]=3 965 B12R1.26 CCC(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_100000210202 [0,2,0,0,0,0|0,1,0]=3 966 B12R1.26 CCC(=O)C=Cc1csc(c1)Br 6a_100000737087_100000211110 [0,2,0,0,0,0|2,0,0]=4 967 B12R1.26 CCC(=O)C=Cc1nc(cs1)Br 6a_100009816814_100000211110 [0,2,0,0,0,0|1,1,0]=4 968 B12R1.26 CCC(=O)C=Cc1nc(cs1)C 6a_100000756994_100000211110 [0,2,0,0,0,0|1,1,0]=4 969 B12R1.26 CCC(=O)C=Cc1ncc(s1)Br 6a_100000699580_100000211110 [0,2,0,0,0,0|1,1,0]=4 970 B12R1.26 CCC(=O)C=Cc1ncc(s1)C 6a_100011361622_100000211110 [0,2,0,0,0,0|1,1,0]=4 971 B12R1.26 CCC(=O)C=Cc1ncc(s1)Cl 6a_100000699884_100000211110 [0,2,0,0,0,0|1,1,0]=4 972 B12R1.26 CCC(=O)NCc1ccc(o1)Br 11a_100000708654_100000210414 [0,2,0,0,0,0|1,0,1]=4 973 B12R1.26 CCC(=O)NCc1ccc(o1)Br 1626a_100000708654_100000210414 [0,2,0,0,0,0|1,0,1]=4 974 B12R1.26 CCC(=O)NCc1ccc(o1)Br 240690a_100000708654_100000210414 [0,2,0,0,0,0|1,0,1]=4 975 B12R1.26 CCC(=O)NCc1ccc(o1)Br 527a_100000708654_100000210414 [0,2,0,0,0,0|1,0,1]=4 976 B12R1.26 CCC(=O)NCc1ccc(o1)C 11a_100011194323_100000210414 [0,2,0,0,0,0|1,0,1]=4 977 B12R1.26 CCC(=O)NCc1ccc(o1)C 1626a_100011194323_100000210414 [0,2,0,0,0,0|1,0,1]=4 978 B12R1.26 CCC(=O)NCc1ccc(o1)C 240690a_100011194323_100000210414 [0,2,0,0,0,0|1,0,1]=4 979 B12R1.26 CCC(=O)NCc1ccc(o1)C 527a_100011194323_100000210414 [0,2,0,0,0,0|1,0,1]=4 980 B12R1.26 CNC(=O)C=Cc1cc(cs1)Br 11a_106832991635_100102601599 [0,2,0,0,0,0|0,1,0]=3 981 B12R1.26 CNC(=O)C=Cc1cc(cs1)Br 1626a_100102657272_100102601599 [0,2,0,0,0,0|0,1,0]=3 982 B12R1.26 CNC(=O)C=Cc1cc(cs1)Br 240690a_100102657272_100102601599 [0,2,0,0,0,0|0,1,0]=3 983 B12R1.26 CNC(=O)C=Cc1ccc(o1)Br 11a_106832991635_100000182240 [0,2,0,0,0,0|0,0,0]=2 984 B12R1.26 CNC(=O)C=Cc1ccc(o1)Br 240690a_100102657272_100000182240 [0,2,0,0,0,0|0,0,0]=2 985 B12R1.26 CNC(=O)C=Cc1ccc(o1)C 11a_106832991635_100000183563 [0,2,0,0,0,0|0,0,0]=2 986 B12R1.26 CNC(=O)C=Cc1ccc(o1)C 1626a_100102657272_100000183563 [0,2,0,0,0,0|0,0,0]=2 987 B12R1.26 CNC(=O)C=Cc1ccc(o1)C 240690a_100102657272_100000183563 [0,2,0,0,0,0|0,0,0]=2 988 B12R1.26 CNC(=O)C=Cc1ccc(o1)C 527a_100102657272_100000183563 [0,2,0,0,0,0|0,0,0]=2 989 B12R1.26 CNC(=O)C=Cc1ccc(o1)I 11a_106832991635_100000679848 [0,2,0,0,0,0|0,0,0]=2 990 B12R1.26 CNC(=O)C=Cc1ccc(o1)I 1626a_100102657272_100000679848 [0,2,0,0,0,0|0,0,0]=2 991 B12R1.26 CNC(=O)C=Cc1ccc(o1)I 240690a_100102657272_100000679848 [0,2,0,0,0,0|0,0,0]=2 992 B12R1.26 CNC(=O)C=Cc1ccc(s1)Br 11a_106832991635_100102558031 [0,2,0,0,0,0|0,1,0]=3 993 B12R1.26 CNC(=O)C=Cc1ccc(s1)Br 1626a_100102657272_100102558031 [0,2,0,0,0,0|0,1,0]=3 994 B12R1.26 CNC(=O)C=Cc1ccc(s1)Br 240690a_100102657272_100102558031 [0,2,0,0,0,0|0,1,0]=3 995 B12R1.26 CNC(=O)C=Cc1ccc(s1)C 11a_106832991635_100102558089 [0,2,0,0,0,0|0,1,0]=3 996 B12R1.26 CNC(=O)C=Cc1ccc(s1)C 1626a_100102657272_100102558089 [0,2,0,0,0,0|0,1,0]=3 997 B12R1.26 CNC(=O)C=Cc1ccc(s1)C 240690a_100102657272_100102558089 [0,2,0,0,0,0|0,1,0]=3 998 B12R1.26 CNC(=O)C=Cc1ccc(s1)Cl 11a_106832991635_100102558157 [0,2,0,0,0,0|0,1,0]=3 999 B12R1.26 CNC(=O)C=Cc1ccc(s1)Cl 1626a_100102657272_100102558157 [0,2,0,0,0,0|0,1,0]=3 1000 B12R1.26 CNC(=O)C=Cc1ccc(s1)Cl 240690a_100102657272_100102558157 [0,2,0,0,0,0|0,1,0]=3 1001 B12R1.26 CNC(=O)NCc1ccc(o1)Br 2708a_100000708654_106832991635 [0,2,0,0,0,0|1,0,1]=4 1002 B12R1.26 CNC(=O)NCc1ccc(o1)Br 2708a_100102657272_100000708654 [0,2,0,0,0,0|1,0,1]=4 1003 B12R1.26 CNC(=O)NCc1ccc(o1)Br 273464a_100000708654_100102657272 [0,2,0,0,0,0|1,0,1]=4 1004 B12R1.26 CNC(=O)NCc1ccc(o1)Br 273464a_100102657272_100000708654 [0,2,0,0,0,0|1,0,1]=4 1005 B12R1.26 CNC(=O)NCc1ccc(o1)Br 512a_100000708654_100102657272 [0,2,0,0,0,0|1,0,1]=4 1006 B12R1.26 CNC(=O)NCc1ccc(o1)Br 512a_106832991638_100000708654 [0,2,0,0,0,0|1,0,1]=4 1007 B12R1.26 CNC(=O)NCc1ccc(o1)C 2708a_100011194323_106832991635 [0,2,0,0,0,0|1,0,1]=4 1008 B12R1.26 CNC(=O)NCc1ccc(o1)C 2708a_100102657272_100011194323 [0,2,0,0,0,0|1,0,1]=4 1009 B12R1.26 CNC(=O)NCc1ccc(o1)C 273464a_100011194323_100102657272 [0,2,0,0,0,0|1,0,1]=4 1010 B12R1.26 CNC(=O)NCc1ccc(o1)C 512a_100011194323_100102657272 [0,2,0,0,0,0|1,0,1]=4 1011 B12R1.26 CNC(=O)NCc1ccc(o1)C 512a_106832991638_100011194323 [0,2,0,0,0,0|1,0,1]=4 1012 B12R1.26 COC(=O)/C=C/c1ccc(o1)O 271570a_203496583355_100000150861 [0,2,0,0,0,0|0,0,0]=2 1013 B12R1.26 Cc1ccc(o1)C=CC(=O)CF 1458a_100000183563_100015361967 [0,2,0,0,0,0|0,0,0]=2 1014 B12R1.26 Cc1ccc(o1)CNC(=O)CO 240690a_100011194323_100000210174 [0,2,0,0,0,0|1,0,1]=4 1015 B12R1.26 Cc1ccc(o1)CNC(=O)CO 527a_100011194323_100000210174 [0,2,0,0,0,0|1,0,1]=4 1016 B12R1.26 Cc1ccc(s1)C=CC(=O)CF 1458a_100102558089_100015361967 [0,2,0,0,0,0|0,1,0]=3 1017 B12R1.26 Cc1cnc(s1)C=CC(=O)CBr 6a_100011361622_100009888967 [0,2,0,0,0,0|1,1,0]=4 1018 B12R1.26 Cc1cnc(s1)C=CC(=O)CCl 6a_100011361622_100000086384 [0,2,0,0,0,0|1,1,0]=4 1019 B12R1.26 Cc1cnc(s1)C=CC(=O)CF 6a_100011361622_100000764096 [0,2,0,0,0,0|1,1,0]=4 1020 B12R1.26 Cc1csc(n1)C=CC(=O)CBr 6a_100000756994_100009888967 [0,2,0,0,0,0|1,1,0]=4 1021 B12R1.26 Cc1csc(n1)C=CC(=O)CCl 6a_100000756994_100000086384 [0,2,0,0,0,0|1,1,0]=4 1022 B12R1.26 Cc1csc(n1)C=CC(=O)CF 6a_100000756994_100000764096 [0,2,0,0,0,0|1,1,0]=4 1023 B12R1.26 O=C(C=Cc1cc(c[nH]1)I)CBr 6a_100000071964_100009888967 [0,2,0,0,0,0|1,0,0]=3 1024 B12R1.26 O=C(C=Cc1cc(c[nH]1)I)CCl 6a_100000071964_100000086384 [0,2,0,0,0,0|1,0,0]=3 1025 B12R1.26 O=C(C=Cc1cc(c[nH]1)I)CF 6a_100000071964_100000764096 [0,2,0,0,0,0|1,0,0]=3 1026 B12R1.26 O=C(C=Cc1cc(co1)Br)CBr 6a_100000747035_100009888967 [0,2,0,0,0,0|0,0,0]=2 1027 B12R1.26 O=C(C=Cc1cc(co1)Br)CCl 6a_100000747035_100000086384 [0,2,0,0,0,0|0,0,0]=2 1028 B12R1.26 O=C(C=Cc1cc(co1)Br)CF 6a_100000747035_100000764096 [0,2,0,0,0,0|0,0,0]=2 1029 B12R1.26 O=C(C=Cc1cc(cs1)Br)CBr 6a_100000211722_100009888967 [0,2,0,0,0,0|0,1,0]=3 1030 B12R1.26 O=C(C=Cc1cc(cs1)Br)CCl 6a_100000211722_100000086384 [0,2,0,0,0,0|0,1,0]=3 1031 B12R1.26 O=C(C=Cc1cc(cs1)Br)CF 1458a_100102601599_100015361967 [0,2,0,0,0,0|0,1,0]=3 1032 B12R1.26 O=C(C=Cc1cc(cs1)Br)CF 6a_100000211722_100000764096 [0,2,0,0,0,0|0,1,0]=3 1033 B12R1.26 O=C(C=Cc1cc(cs1)I)CBr 6a_100010179861_100009888967 [0,2,0,0,0,0|0,1,0]=3 1034 B12R1.26 O=C(C=Cc1cc(cs1)I)CCl 6a_100010179861_100000086384 [0,2,0,0,0,0|0,1,0]=3 1035 B12R1.26 O=C(C=Cc1cc(cs1)I)CF 6a_100010179861_100000764096 [0,2,0,0,0,0|0,1,0]=3 1036 B12R1.26 O=C(C=Cc1ccc(o1)Br)CF 1458a_100000182240_100015361967 [0,2,0,0,0,0|0,0,0]=2 1037 B12R1.26 O=C(C=Cc1ccc(o1)I)CBr 6a_100000186757_100009888967 [0,2,0,0,0,0|0,0,0]=2 1038 B12R1.26 O=C(C=Cc1ccc(o1)I)CCl 6a_100000186757_100000086384 [0,2,0,0,0,0|0,0,0]=2 1039 B12R1.26 O=C(C=Cc1ccc(o1)I)CF 1458a_100000679848_100015361967 [0,2,0,0,0,0|0,0,0]=2 1040 B12R1.26 O=C(C=Cc1ccc(o1)I)CF 6a_100000186757_100000764096 [0,2,0,0,0,0|0,0,0]=2 1041 B12R1.26 O=C(C=Cc1ccc(s1)Br)CF 1458a_100102558031_100015361967 [0,2,0,0,0,0|0,1,0]=3 1042 B12R1.26 O=C(C=Cc1ccc(s1)Cl)CF 1458a_100102558157_100015361967 [0,2,0,0,0,0|0,1,0]=3 1043 B12R1.26 O=C(C=Cc1csc(c1)Br)CBr 6a_100000737087_100009888967 [0,2,0,0,0,0|2,0,0]=4 1044 B12R1.26 O=C(C=Cc1csc(c1)Br)CCl 6a_100000737087_100000086384 [0,2,0,0,0,0|2,0,0]=4 1045 B12R1.26 O=C(C=Cc1csc(c1)Br)CF 6a_100000737087_100000764096 [0,2,0,0,0,0|2,0,0]=4 1046 B12R1.26 O=C(C=Cc1nc(cs1)Br)CBr 6a_100009816814_100009888967 [0,2,0,0,0,0|1,1,0]=4 1047 B12R1.26 O=C(C=Cc1nc(cs1)Br)CCl 6a_100009816814_100000086384 [0,2,0,0,0,0|1,1,0]=4 1048 B12R1.26 O=C(C=Cc1nc(cs1)Br)CF 6a_100009816814_100000764096 [0,2,0,0,0,0|1,1,0]=4 1049 B12R1.26 O=C(C=Cc1ncc(s1)Br)CBr 6a_100000699580_100009888967 [0,2,0,0,0,0|1,1,0]=4 1050 B12R1.26 O=C(C=Cc1ncc(s1)Br)CCl 6a_100000699580_100000086384 [0,2,0,0,0,0|1,1,0]=4 1051 B12R1.26 O=C(C=Cc1ncc(s1)Br)CF 6a_100000699580_100000764096 [0,2,0,0,0,0|1,1,0]=4 1052 B12R1.26 O=C(C=Cc1ncc(s1)Cl)CBr 6a_100000699884_100009888967 [0,2,0,0,0,0|1,1,0]=4 1053 B12R1.26 O=C(C=Cc1ncc(s1)Cl)CCl 6a_100000699884_100000086384 [0,2,0,0,0,0|1,1,0]=4 1054 B12R1.26 O=C(C=Cc1ncc(s1)Cl)CF 6a_100000699884_100000764096 [0,2,0,0,0,0|1,1,0]=4 1055 B12R1.26 O=C(CO)NCc1ccc(o1)Br 240690a_100000708654_100000210174 [0,2,0,0,0,0|1,0,1]=4 1056 B12R1.26 O=C(CO)NCc1ccc(o1)Br 527a_100000708654_100000210174 [0,2,0,0,0,0|1,0,1]=4 1057 B12R1.51 C#CCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000184674 [0,2,0,0,0,0|2,0,0]=4 1058 B12R1.51 C#CCC(=O)C=Cc1cccs1 1458a_100000182767_100000184674 [0,2,0,0,0,0|0,1,0]=3 1059 B12R1.51 C#CCC(=O)C=Cc1ccoc1 1458a_100000238621_100000184674 [0,2,0,0,0,0|2,0,0]=4 1060 B12R1.51 C#CCC(=O)C=Cc1ccsc1 1458a_100000698588_100000184674 [0,2,0,0,0,0|2,0,0]=4 1061 B12R1.51 C#CCC(=O)C=Cc1cscn1 1458a_200000747928_100000184674 [0,2,0,0,0,0|2,0,0]=4 1062 B12R1.51 C#CCC(=O)C=Cc1nccs1 1458a_100102558208_100000184674 [0,2,0,0,0,0|1,1,0]=4 1063 B12R1.51 C#CCC(=O)CCc1ccco1 1458a_100000185103_100000184674 [0,2,0,0,0,0|0,0,2]=4 1064 B12R1.51 C#CCC(=O)NCc1ccco1 1626a_100000185738_100011220946 [0,2,0,0,0,0|1,0,1]=4 1065 B12R1.51 C#CCC(=O)NCc1ccco1 527a_100000185738_100011220946 [0,2,0,0,0,0|1,0,1]=4 1066 B12R1.51 C=CCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000210623 [0,2,0,0,0,0|2,0,0]=4 1067 B12R1.51 C=CCC(=O)C=Cc1cccs1 1458a_100000182767_100000210623 [0,2,0,0,0,0|0,1,0]=3 1068 B12R1.51 C=CCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210623 [0,2,0,0,0,0|2,0,0]=4 1069 B12R1.51 C=CCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210623 [0,2,0,0,0,0|2,0,0]=4 1070 B12R1.51 C=CCC(=O)C=Cc1cscn1 1458a_200000747928_100000210623 [0,2,0,0,0,0|2,0,0]=4 1071 B12R1.51 C=CCC(=O)C=Cc1nccs1 1458a_100102558208_100000210623 [0,2,0,0,0,0|1,1,0]=4 1072 B12R1.51 C=CCC(=O)CCc1ccco1 1458a_100000185103_100000210623 [0,2,0,0,0,0|0,0,2]=4 1073 B12R1.51 C=CCC(=O)NCc1ccco1 11a_100000185738_100000210193 [0,2,0,0,0,0|1,0,1]=4 1074 B12R1.51 C=CCC(=O)NCc1ccco1 1626a_100000185738_100000210193 [0,2,0,0,0,0|1,0,1]=4 1075 B12R1.51 C=CCC(=O)NCc1ccco1 240690a_100000185738_100000210193 [0,2,0,0,0,0|1,0,1]=4 1076 B12R1.51 C=CCC(=O)NCc1ccco1 527a_100000185738_100000210193 [0,2,0,0,0,0|1,0,1]=4 1077 B12R1.51 CC=CC(=O)NCc1ccco1 11a_100000185738_100000210699 [0,2,0,0,0,0|1,0,1]=4 1078 B12R1.51 CC=CC(=O)NCc1ccco1 1626a_100000185738_100000210699 [0,2,0,0,0,0|1,0,1]=4 1079 B12R1.51 CC=CC(=O)NCc1ccco1 240690a_100000185738_100000210699 [0,2,0,0,0,0|1,0,1]=4 1080 B12R1.51 CCCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000210303 [0,2,0,0,0,0|2,0,0]=4 1081 B12R1.51 CCCC(=O)C=Cc1cccs1 1458a_100000182767_100000210303 [0,2,0,0,0,0|0,1,0]=3 1082 B12R1.51 CCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210303 [0,2,0,0,0,0|2,0,0]=4 1083 B12R1.51 CCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210303 [0,2,0,0,0,0|2,0,0]=4 1084 B12R1.51 CCCC(=O)C=Cc1cscn1 1458a_200000747928_100000210303 [0,2,0,0,0,0|2,0,0]=4 1085 B12R1.51 CCCC(=O)C=Cc1nccs1 1458a_100102558208_100000210303 [0,2,0,0,0,0|1,1,0]=4 1086 B12R1.51 CCCC(=O)C=Cc1nccs1 6a_100000750902_100011215381 [0,2,0,0,0,0|1,1,0]=4 1087 B12R1.51 CCCC(=O)CCc1ccco1 1458a_100000185103_100000210303 [0,2,0,0,0,0|0,0,2]=4 1088 B12R1.51 CCCC(=O)CSc1ccco1 62a_100000747444_100009814098 [0,2,0,0,0,0|1,0,1]=4 1089 B12R1.51 CCCC(=O)CSc1ccco1 62a_100009814098_100000747444 [0,2,0,0,0,0|1,0,1]=4 1090 B12R1.51 CCCC(=O)NCc1ccco1 11a_100000185738_100000211992 [0,2,0,0,0,0|1,0,1]=4 1091 B12R1.51 CCCC(=O)NCc1ccco1 1626a_100000185738_100000211992 [0,2,0,0,0,0|1,0,1]=4 1092 B12R1.51 CCCC(=O)NCc1ccco1 240690a_100000185738_100000211992 [0,2,0,0,0,0|1,0,1]=4 1093 B12R1.51 CCCC(=O)NCc1ccco1 527a_100000185738_100000211992 [0,2,0,0,0,0|1,0,1]=4 1094 B12R1.51 CCNC(=O)C=Cc1c[nH]cn1 240690a_100015525214_100102678534 [0,2,0,0,0,0|2,0,0]=4 1095 B12R1.51 CCNC(=O)C=Cc1cccs1 11a_100015525214_100000182767 [0,2,0,0,0,0|0,1,0]=3 1096 B12R1.51 CCNC(=O)C=Cc1cccs1 240690a_100015525214_100000182767 [0,2,0,0,0,0|0,1,0]=3 1097 B12R1.51 CCNC(=O)C=Cc1ccoc1 11a_100015525214_100000238621 [0,2,0,0,0,0|2,0,0]=4 1098 B12R1.51 CCNC(=O)C=Cc1ccoc1 240690a_100015525214_100000238621 [0,2,0,0,0,0|2,0,0]=4 1099 B12R1.51 CCNC(=O)C=Cc1ccsc1 11a_100015525214_100000698588 [0,2,0,0,0,0|2,0,0]=4 1100 B12R1.51 CCNC(=O)C=Cc1ccsc1 240690a_100015525214_100000698588 [0,2,0,0,0,0|2,0,0]=4 1101 B12R1.51 CCNC(=O)C=Cc1ccsc1 527a_100015525214_100000698588 [0,2,0,0,0,0|2,0,0]=4 1102 B12R1.51 CCNC(=O)C=Cc1cscn1 11a_100015525214_200000747928 [0,2,0,0,0,0|2,0,0]=4 1103 B12R1.51 CCNC(=O)C=Cc1cscn1 240690a_100015525214_200000747928 [0,2,0,0,0,0|2,0,0]=4 1104 B12R1.51 CCNC(=O)C=Cc1nccs1 11a_100015525214_100102558208 [0,2,0,0,0,0|1,1,0]=4 1105 B12R1.51 CCNC(=O)C=Cc1nccs1 240690a_100015525214_100102558208 [0,2,0,0,0,0|1,1,0]=4 1106 B12R1.51 CCNC(=O)CCc1ccco1 11a_100015525214_100000185103 [0,2,0,0,0,0|0,0,2]=4 1107 B12R1.51 CCNC(=O)CCc1ccco1 527a_100015525214_100000185103 [0,2,0,0,0,0|0,0,2]=4 1108 B12R1.51 CCNC(=O)CSc1ccco1 62a_100000183381_100009814098 [0,2,0,0,0,0|1,0,1]=4 1109 B12R1.51 CCNC(=O)CSc1ccco1 62a_100009814098_100000183381 [0,2,0,0,0,0|1,0,1]=4 1110 B12R1.51 CCNC(=O)NCc1ccco1 2708a_100000185738_100015525214 [0,2,0,0,0,0|1,0,1]=4 1111 B12R1.51 CCNC(=O)NCc1ccco1 2708a_100015525214_100000185738 [0,2,0,0,0,0|1,0,1]=4 1112 B12R1.51 CCNC(=O)NCc1ccco1 273464a_100000185738_100015525214 [0,2,0,0,0,0|1,0,1]=4 1113 B12R1.51 CCNC(=O)NCc1ccco1 512a_100000185738_100015525214 [0,2,0,0,0,0|1,0,1]=4 1114 B12R1.51 CCNC(=O)NCc1ccco1 512a_100015525214_100000185738 [0,2,0,0,0,0|1,0,1]=4 1115 B12R1.51 CCOC(=O)C=Cc1c[nH]cn1 271570a_100010199719_100000756875 [0,2,0,0,0,0|2,0,0]=4 1116 B12R1.51 CCOC(=O)C=Cc1cc[nH]n1 271570a_100010199719_100000062575 [0,2,0,0,0,0|2,0,0]=4 1117 B12R1.51 CCOC(=O)C=Cc1ccco1 271570a_100010199719_100009814098 [0,2,0,0,0,0|0,0,0]=2 1118 B12R1.51 CCOC(=O)C=Cc1cccs1 271570a_100010199719_100011215356 [0,2,0,0,0,0|0,1,0]=3 1119 B12R1.51 CCOC(=O)C=Cc1ccoc1 271570a_100010199719_100011215275 [0,2,0,0,0,0|2,0,0]=4 1120 B12R1.51 CCOC(=O)C=Cc1ccsc1 271570a_100010199719_100000738268 [0,2,0,0,0,0|2,0,0]=4 1121 B12R1.51 CCOC(=O)C=Cc1ccsn1 271570a_100010199719_100009818082 [0,2,0,0,0,0|2,0,0]=4 1122 B12R1.51 CCOC(=O)C=Cc1cnco1 271570a_100010199719_100020591547 [0,2,0,0,0,0|1,0,0]=3 1123 B12R1.51 CCOC(=O)C=Cc1cncs1 271570a_100010199719_100011934649 [0,2,0,0,0,0|1,1,0]=4 1124 B12R1.51 CCOC(=O)C=Cc1cscn1 271570a_100010199719_100000751502 [0,2,0,0,0,0|2,0,0]=4 1125 B12R1.51 CCOC(=O)C=Cc1ncc[nH]1 271570a_100010199719_100025796157 [0,2,0,0,0,0|2,0,0]=4 1126 B12R1.51 CCOC(=O)C=Cc1ncco1 271570a_100010199719_100011787736 [0,2,0,0,0,0|1,0,0]=3 1127 B12R1.51 CCOC(=O)C=Cc1nccs1 271570a_100010199719_100000211983 [0,2,0,0,0,0|1,1,0]=4 1128 B12R1.51 CCOC(=O)CSc1ccco1 62a_100000188475_100009814098 [0,2,0,0,0,0|1,0,1]=4 1129 B12R1.51 CCOC(=O)CSc1ccco1 62a_100009814098_100000188475 [0,2,0,0,0,0|1,0,1]=4 1130 B12R1.51 CNCC(=O)NCc1ccco1 2230a_100000741066_200000210301 [0,2,0,0,0,0|1,0,1]=4 1131 B12R1.51 CNCC(=O)NCc1ccco1 2230a_106832991635_100000183421 [0,2,0,0,0,0|1,0,1]=4 1132 B12R1.51 CNCC(=O)NCc1ccco1 34a_100102657272_100000183421 [0,2,0,0,0,0|1,0,1]=4 1133 B12R1.51 CNCC(=O)NCc1ccco1 7a_106832991635_100000183421 [0,2,0,0,0,0|1,0,1]=4 1134 B12R1.51 CNNC(=O)C=Cc1c[nH]cn1 22a_100016993582_100102678534 [0,2,0,0,0,0|2,0,0]=4 1135 B12R1.51 CNNC(=O)C=Cc1ccco1 22a_100016993582_100000720202 [0,2,0,0,0,0|0,0,0]=2 1136 B12R1.51 CNNC(=O)C=Cc1cccs1 22a_100016993582_100000182767 [0,2,0,0,0,0|0,1,0]=3 1137 B12R1.51 CNNC(=O)C=Cc1ccoc1 22a_100016993582_100000238621 [0,2,0,0,0,0|2,0,0]=4 1138 B12R1.51 CNNC(=O)C=Cc1ccsc1 22a_100016993582_100000698588 [0,2,0,0,0,0|2,0,0]=4 1139 B12R1.51 CNNC(=O)C=Cc1cscn1 22a_100016993582_200000747928 [0,2,0,0,0,0|2,0,0]=4 1140 B12R1.51 CNNC(=O)C=Cc1nccs1 22a_100016993582_100102558208 [0,2,0,0,0,0|1,1,0]=4 1141 B12R1.51 CNNC(=O)CCc1ccco1 22a_100016993582_100000185103 [0,2,0,0,0,0|0,0,2]=4 1142 B12R1.51 CNNC(=O)NCc1ccco1 273464a_100000185738_100016993582 [0,2,0,0,0,0|1,0,1]=4 1143 B12R1.51 CNNC(=O)NCc1ccco1 512a_100000185738_100016993582 [0,2,0,0,0,0|1,0,1]=4 1144 B12R1.51 CNNC(=O)NCc1ccco1 512a_100016993582_100000185738 [0,2,0,0,0,0|1,0,1]=4 1145 B12R1.51 COCC(=O)C=Cc1nccs1 6a_100000750902_100000211753 [0,2,0,0,0,0|1,1,0]=4 1146 B12R1.51 COCC(=O)NCc1ccco1 11a_100000185738_100000210968 [0,2,0,0,0,0|1,0,1]=4 1147 B12R1.51 COCC(=O)NCc1ccco1 1626a_100000185738_100000210968 [0,2,0,0,0,0|1,0,1]=4 1148 B12R1.51 COCC(=O)NCc1ccco1 240690a_100000185738_100000210968 [0,2,0,0,0,0|1,0,1]=4 1149 B12R1.51 COCC(=O)NCc1ccco1 34a_100138415774_100000183421 [0,2,0,0,0,0|1,0,1]=4 1150 B12R1.51 COCC(=O)NCc1ccco1 527a_100000185738_100000210968 [0,2,0,0,0,0|1,0,1]=4 1151 B12R1.51 CSCC(=O)C=Cc1nccs1 6a_100000750902_100011216314 [0,2,0,0,0,0|1,1,0]=4 1152 B12R1.51 CSCC(=O)NCc1ccco1 11a_100000185738_100000184570 [0,2,0,0,0,0|1,0,1]=4 1153 B12R1.51 CSCC(=O)NCc1ccco1 1626a_100000185738_100000184570 [0,2,0,0,0,0|1,0,1]=4 1154 B12R1.51 CSCC(=O)NCc1ccco1 240690a_100000185738_100000184570 [0,2,0,0,0,0|1,0,1]=4 1155 B12R1.51 CSCC(=O)NCc1ccco1 527a_100000185738_100000184570 [0,2,0,0,0,0|1,0,1]=4 1156 B12R1.51 CSCC(=O)NCc1ccco1 62a_100000183421_200000210301 [0,2,0,0,0,0|1,0,1]=4 1157 B12R1.51 CSCC(=O)NCc1ccco1 62a_200000210301_100000183421 [0,2,0,0,0,0|1,0,1]=4 1158 B12R1.51 N#CCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100011214920 [0,2,0,0,0,0|2,0,0]=4 1159 B12R1.51 N#CCC(=O)C=Cc1cccs1 1458a_100000182767_100011214920 [0,2,0,0,0,0|0,1,0]=3 1160 B12R1.51 N#CCC(=O)C=Cc1ccoc1 1458a_100000238621_100011214920 [0,2,0,0,0,0|2,0,0]=4 1161 B12R1.51 N#CCC(=O)C=Cc1ccsc1 1458a_100000698588_100011214920 [0,2,0,0,0,0|2,0,0]=4 1162 B12R1.51 N#CCC(=O)C=Cc1cscn1 1458a_200000747928_100011214920 [0,2,0,0,0,0|2,0,0]=4 1163 B12R1.51 N#CCC(=O)C=Cc1nccs1 1458a_100102558208_100011214920 [0,2,0,0,0,0|1,1,0]=4 1164 B12R1.51 N#CCC(=O)C=Cc1nccs1 6a_100000750902_100000184835 [0,2,0,0,0,0|1,1,0]=4 1165 B12R1.51 N#CCC(=O)CCc1ccco1 1458a_100000185103_100011214920 [0,2,0,0,0,0|0,0,2]=4 1166 B12R1.51 N#CCC(=O)NCc1ccco1 1626a_100000185738_100051588842 [0,2,0,0,0,0|1,0,1]=4 1167 B12R1.51 N#CCC(=O)NCc1ccco1 240690a_100000185738_100051588842 [0,2,0,0,0,0|1,0,1]=4 1168 B12R1.51 O=C(C=Cc1c[nH]cn1)CCF 1458a_100102678534_100011217306 [0,2,0,0,0,0|2,0,0]=4 1169 B12R1.51 O=C(C=Cc1c[nH]cn1)CCO 1458a_100102678534_100000211926 [0,2,0,0,0,0|2,0,0]=4 1170 B12R1.51 O=C(C=Cc1cccs1)CCF 1458a_100000182767_100011217306 [0,2,0,0,0,0|0,1,0]=3 1171 B12R1.51 O=C(C=Cc1cccs1)CCO 1458a_100000182767_100000211926 [0,2,0,0,0,0|0,1,0]=3 1172 B12R1.51 O=C(C=Cc1ccoc1)CCF 1458a_100000238621_100011217306 [0,2,0,0,0,0|2,0,0]=4 1173 B12R1.51 O=C(C=Cc1ccoc1)CCO 1458a_100000238621_100000211926 [0,2,0,0,0,0|2,0,0]=4 1174 B12R1.51 O=C(C=Cc1ccsc1)CCF 1458a_100000698588_100011217306 [0,2,0,0,0,0|2,0,0]=4 1175 B12R1.51 O=C(C=Cc1ccsc1)CCO 1458a_100000698588_100000211926 [0,2,0,0,0,0|2,0,0]=4 1176 B12R1.51 O=C(C=Cc1cscn1)CCF 1458a_200000747928_100011217306 [0,2,0,0,0,0|2,0,0]=4 1177 B12R1.51 O=C(C=Cc1cscn1)CCO 1458a_200000747928_100000211926 [0,2,0,0,0,0|2,0,0]=4 1178 B12R1.51 O=C(C=Cc1nccs1)CCBr 6a_100000750902_100011261029 [0,2,0,0,0,0|1,1,0]=4 1179 B12R1.51 O=C(C=Cc1nccs1)CCCl 6a_100000750902_100000053229 [0,2,0,0,0,0|1,1,0]=4 1180 B12R1.51 O=C(C=Cc1nccs1)CCF 1458a_100102558208_100011217306 [0,2,0,0,0,0|1,1,0]=4 1181 B12R1.51 O=C(C=Cc1nccs1)CCO 1458a_100102558208_100000211926 [0,2,0,0,0,0|1,1,0]=4 1182 B12R1.51 O=C(CCF)CCc1ccco1 1458a_100000185103_100011217306 [0,2,0,0,0,0|0,0,2]=4 1183 B12R1.51 O=C(CCO)CCc1ccco1 1458a_100000185103_100000211926 [0,2,0,0,0,0|0,0,2]=4 1184 B12R1.51 O=C(CCO)NCc1ccco1 240690a_100000185738_100011216618 [0,2,0,0,0,0|1,0,1]=4 1185 B12R1.51 O=C(CSc1ccco1)NCO 62a_100000185155_100009814098 [0,2,0,0,0,0|1,0,1]=4 1186 B12R1.51 O=C(CSc1ccco1)NCO 62a_100009814098_100000185155 [0,2,0,0,0,0|1,0,1]=4 1187 B12R1.51 [13CH3]NCC(=O)NCc1ccco1 2230a_100000741066_200025704644 [0,2,0,0,0,0|1,0,1]=4 1188 B12R1.51 [13CH3]SCC(=O)NCc1ccco1 62a_100000183421_200025704644 [0,2,0,0,0,0|1,0,1]=4 1189 B12R1.51 [13CH3]SCC(=O)NCc1ccco1 62a_200025704644_100000183421 [0,2,0,0,0,0|1,0,1]=4 1190 B12R1.108 CC(=Cc1ccco1)C(=O)CF 1458a_100011995979_100015361967 [0,2,0,0,0,0|0,0,0]=2 1191 B12R1.108 CCC(=O)C(=Cc1ccco1)C 1458a_100011995979_100000210202 [0,2,0,0,0,0|0,0,0]=2 1192 B12R1.108 CCC(=O)C(C)Sc1ccco1 62a_100000742827_100009814098 [0,2,0,0,0,0|1,0,1]=4 1193 B12R1.108 CCC(=O)C(C)Sc1ccco1 62a_100009814098_100000742827 [0,2,0,0,0,0|1,0,1]=4 1194 B12R1.108 CCC(=O)N(C)Cc1ccco1 11a_100000185268_100000210414 [0,2,0,0,0,0|1,0,1]=4 1195 B12R1.108 CCC(=O)N(C)Cc1ccco1 240690a_100000185268_100000210414 [0,2,0,0,0,0|1,0,1]=4 1196 B12R1.108 CCC(=O)N(C)Cc1ccco1 527a_100000185268_100000210414 [0,2,0,0,0,0|1,0,1]=4 1197 B12R1.108 CN(Cc1ccco1)C(=O)CO 240690a_100000185268_100000210174 [0,2,0,0,0,0|1,0,1]=4 1198 B12R1.108 CN(Cc1ccco1)C(=O)CO 527a_100000185268_100000210174 [0,2,0,0,0,0|1,0,1]=4 1199 B12R1.108 CNC(=O)C(=Cc1ccco1)C 11a_106832991635_100011995979 [0,2,0,0,0,0|0,0,0]=2 1200 B12R1.108 CNC(=O)C(=Cc1ccco1)C 1626a_100102657272_100011995979 [0,2,0,0,0,0|0,0,0]=2 1201 B12R1.108 CNC(=O)C(=Cc1ccco1)C 527a_100102657272_100011995979 [0,2,0,0,0,0|0,0,0]=2 1202 B12R1.108 CNC(=O)C(=O)Cc1ncco1 1458a_100011218921_103436540062 [0,2,0,0,0,0|1,0,1]=4 1203 B12R1.108 CNC(=O)C(C)Sc1ccco1 62a_100000209862_100009814098 [0,2,0,0,0,0|1,0,1]=4 1204 B12R1.108 CNC(=O)C(C)Sc1ccco1 62a_100009814098_100000731044 [0,2,0,0,0,0|1,0,1]=4 1205 B12R1.108 CNC(=O)C(F)Sc1ccco1 62a_100009813575_100009814098 [0,2,0,0,0,0|1,0,1]=4 1206 B12R1.108 CNC(=O)C(F)Sc1ccco1 62a_100009814098_100009813575 [0,2,0,0,0,0|1,0,1]=4 1207 B12R1.108 CNC(=O)N(C)Cc1ccco1 2708a_100102657272_100000185268 [0,2,0,0,0,0|1,0,1]=4 1208 B12R1.108 COC(=O)C(C)Sc1ccco1 62a_100000211248_100009814098 [0,2,0,0,0,0|1,0,1]=4 1209 B12R1.108 COC(=O)C(C)Sc1ccco1 62a_100009814098_100000211248 [0,2,0,0,0,0|1,0,1]=4 1210 B12R1.353 CCC(=O)C=Cc1ccnn1C 1458a_100102528386_100000210202 [0,2,0,0,0,0|2,0,0]=4 1211 B12R1.353 CCC(=O)C=Cc1sccc1C 1458a_100000185125_100000210202 [0,2,0,0,0,0|0,1,0]=3 1212 B12R1.353 CNC(=O)C=Cc1ccnn1C 11a_106832991635_100102528386 [0,2,0,0,0,0|2,0,0]=4 1213 B12R1.353 CNC(=O)C=Cc1ccnn1C 1626a_100102657272_100102528386 [0,2,0,0,0,0|2,0,0]=4 1214 B12R1.353 CNC(=O)C=Cc1ccnn1C 240690a_100102657272_100102528386 [0,2,0,0,0,0|2,0,0]=4 1215 B12R1.353 CNC(=O)C=Cc1sccc1C 11a_106832991635_100000185125 [0,2,0,0,0,0|0,1,0]=3 1216 B12R1.353 CNC(=O)C=Cc1sccc1C 1626a_100102657272_100000185125 [0,2,0,0,0,0|0,1,0]=3 1217 B12R1.353 CNC(=O)C=Cc1sccc1C 240690a_100102657272_100000185125 [0,2,0,0,0,0|0,1,0]=3 1218 B12R1.353 CNC(=O)C=Cc1sccc1C 527a_100102657272_100000185125 [0,2,0,0,0,0|0,1,0]=3 1219 B12R1.353 Cc1ccsc1C=CC(=O)CF 1458a_100000185125_100015361967 [0,2,0,0,0,0|0,1,0]=3 1220 B12R1.353 Cn1nccc1C=CC(=O)CF 1458a_100102528386_100015361967 [0,2,0,0,0,0|2,0,0]=4 1221 B12R1.104 CC(=O)N(C)Cc1ccc(o1)Br 240690a_100000207588_100015343762 [0,2,0,0,0,0|1,0,1]=4 1222 B12R1.104 CC(=O)N(C)Cc1ccc(o1)Br 527a_100000207588_100103153847 [0,2,0,0,0,0|1,0,1]=4 1223 B12R1.104 CC(=O)N(C)Cc1ccc(o1)C 1626a_100000184526_100015343762 [0,2,0,0,0,0|1,0,1]=4 1224 B12R1.104 CC(=O)N(C)Cc1ccc(o1)C 527a_100000184526_100103153847 [0,2,0,0,0,0|1,0,1]=4 1225 B12R1.120 CC(=O)C(C)C(=O)c1cccs1 1458a_100000070787_100011262360 [0,2,0,0,0,0|0,1,1]=4 1226 B12R1.120 CC(=O)N(C)C(C)c1ccco1 11a_100000232712_100015343762 [0,2,0,0,0,0|1,0,1]=4 1227 B12R1.120 CC(=O)N(C)C(C)c1ccco1 1626a_100000232712_100015343762 [0,2,0,0,0,0|1,0,1]=4 1228 B12R1.120 CC(=O)N(C)C(C)c1ccco1 240690a_100000232712_100015343762 [0,2,0,0,0,0|1,0,1]=4 1229 B12R1.120 CC(=O)N(C)C(C)c1ccco1 527a_100000232712_100103153847 [0,2,0,0,0,0|1,0,1]=4 1230 B12R1.145 CC(=O)N(C)Cc1occc1C 11a_100000734364_100015343762 [0,2,0,0,0,0|1,0,1]=4 1231 B12R1.145 CC(=O)N(C)Cc1occc1C 1626a_100000734364_100015343762 [0,2,0,0,0,0|1,0,1]=4 1232 B12R1.145 CC(=O)N(C)Cc1occc1C 240690a_100000734364_100015343762 [0,2,0,0,0,0|1,0,1]=4 1233 B12R1.145 CC(=O)N(C)Cc1occc1C 527a_100000734364_100103153847 [0,2,0,0,0,0|1,0,1]=4 1234 B12R1.298 CC(=O)/C(=C/c1ccoc1)/C#N 1458a_100021253019_200000210301 [0,2,0,0,0,0|2,0,0]=4 1235 B12R1.298 CC(=O)/C(=C/c1ccsc1)/C#N 1458a_100138434748_200000210301 [0,2,0,0,0,0|2,0,0]=4 1236 B12R1.298 CCN(Cc1ccco1)C(=O)C 11a_100000739255_100015343762 [0,2,0,0,0,0|1,0,1]=4 1237 B12R1.298 CCN(Cc1ccco1)C(=O)C 1626a_100000739255_100015343762 [0,2,0,0,0,0|1,0,1]=4 1238 B12R1.298 CCN(Cc1ccco1)C(=O)C 240690a_100000739255_100015343762 [0,2,0,0,0,0|1,0,1]=4 1239 B12R1.298 CCN(Cc1ccco1)C(=O)C 527a_100000739255_100103153847 [0,2,0,0,0,0|1,0,1]=4 1240 B12R1.298 [13CH3]C(=O)/C(=C/c1ccoc1)/C#N 1458a_100021253019_200025704644 [0,2,0,0,0,0|2,0,0]=4 1241 B12R1.298 [13CH3]C(=O)/C(=C/c1ccsc1)/C#N 1458a_100138434748_200025704644 [0,2,0,0,0,0|2,0,0]=4 1242 B12R1.1373 CC(=O)C(C)(C)Sc1ccco1 62a_100000075568_100009814098 [0,2,0,0,0,0|1,0,1]=4 1243 B12R1.1373 CC(=O)C(C)(C)Sc1ccco1 62a_100009814098_100000075568 [0,2,0,0,0,0|1,0,1]=4 1244 B12R1.59 CC(=O)C=Cc1cc(cs1)CO 1458a_100016256208_200000210301 [0,2,0,0,0,0|0,1,0]=3 1245 B12R1.59 CC(C)C=Cc1ccc(o1)C#N 271570a_100016257149_100000764468 [0,2,0,0,0,0|1,0,1]=4 1246 B12R1.59 CC(C)C=Cc1ccc(o1)C=O 271570a_100016257149_100000185145 [0,2,0,0,0,0|1,0,1]=4 1247 B12R1.59 CC(C)C=Cc1ccc(o1)CN 271570a_100016257149_100000708654 [0,2,0,0,0,0|1,0,1]=4 1248 B12R1.59 CC(C)C=Cc1ccc(o1)CO 271570a_100016257149_100000246276 [0,2,0,0,0,0|1,0,1]=4 1249 B12R1.59 CC(O)C=Cc1ccc(o1)C#N 271570a_200011019289_100000764468 [0,2,0,0,0,0|0,0,2]=4 1250 B12R1.59 CC(O)C=Cc1ccc(o1)C=O 271570a_200011019289_100000185145 [0,2,0,0,0,0|0,0,2]=4 1251 B12R1.59 CC(O)C=Cc1ccc(o1)CN 271570a_200011019289_100000708654 [0,2,0,0,0,0|0,0,2]=4 1252 B12R1.59 CC(O)C=Cc1ccc(o1)CO 271570a_200011019289_100000246276 [0,2,0,0,0,0|0,0,2]=4 1253 B12R1.59 [13CH3]C(=O)C=Cc1cc(cs1)CO 1458a_100016256208_200025704644 [0,2,0,0,0,0|0,1,0]=3 1254 B12R1.103 CC(=O)CC(=O)c1ccc(s1)Br 1458a_100000070787_100000185163 [0,2,0,0,0,0|0,1,1]=4 1255 B12R1.103 CC(=O)CC(=O)c1ccc(s1)C 1458a_100000070787_100011262362 [0,2,0,0,0,0|0,1,1]=4 1256 B12R1.103 CC(=O)CC(=O)c1ccc(s1)Cl 1458a_100000070787_100000185135 [0,2,0,0,0,0|0,1,1]=4 1257 B12R1.144 CC(=O)CC(=O)c1cccn1C 1458a_100000070787_200011262399 [0,2,0,0,0,0|1,0,1]=4 1258 B12R1.144 CC(=O)CC(=O)c1sccc1Br 1458a_100000070787_100000740827 [0,2,0,0,0,0|0,1,1]=4 1259 B12R1.476 CC(=O)C=C(C#N)c1cccs1 1458a_200116348725_200000210301 [0,2,0,0,0,0|0,1,0]=3 1260 B12R1.476 CCC(NC(=O)C)c1ccco1 11a_100015202707_100015343762 [0,2,0,0,0,0|1,0,1]=4 1261 B12R1.476 CCC(NC(=O)C)c1ccco1 1626a_100015202707_100015343762 [0,2,0,0,0,0|1,0,1]=4 1262 B12R1.476 CCC(NC(=O)C)c1ccco1 240690a_100015202707_100015343762 [0,2,0,0,0,0|1,0,1]=4 1263 B12R1.476 CCC(NC(=O)C)c1ccco1 527a_100015202707_100103153847 [0,2,0,0,0,0|1,0,1]=4 1264 B12R1.476 [13CH3]C(=O)C=C(C#N)c1cccs1 1458a_200116348725_200025704644 [0,2,0,0,0,0|0,1,0]=3 1265 B10R1.10 CC=Cc1cccc(=O)[nH]1 271570a_100016259895_100000761760 [0,0,1,1,0,0|2,0,0]=4 1266 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [0,0,1,1,0,0|2,0,0]=4 1267 B10R1.10 CC=Cc1cccc(n1)C 271570a_100016259895_100000742759 [0,0,1,1,0,0|2,0,0]=4 1268 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [0,0,1,1,0,0|2,0,0]=4 1269 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [0,0,1,1,0,0|2,0,0]=4 1270 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [0,0,1,1,0,0|2,0,0]=4 1271 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,1,1,0,0|1,0,1]=4 1272 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,1,1,0,0|1,0,1]=4 1273 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,1,1,0,0|1,0,1]=4 1274 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,1,1,0,0|1,0,1]=4 1275 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,1,1,0,0|1,0,1]=4 1276 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,1,1,0,0|2,0,0]=4 1277 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,1,1,0,0|2,0,0]=4 1278 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,1,1,0,0|2,0,0]=4 1279 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,1,1,0,0|2,0,0]=4 1280 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,1,1,0,0|1,0,1]=4 1281 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,1,1,0,0|1,0,1]=4 1282 B10R1.39 C=C(C)c1ccoc1C=O 271570a_100000694244_100000756499 [0,0,1,1,0,0|2,0,0]=4 1283 B10R1.39 C=Cc1ccsc1C(=O)C 271570a_100011290941_100000738688 [0,0,1,1,0,0|2,0,0]=4 1284 B10R1.39 C=Cc1ncsc1C(=O)C 271570a_100011290941_200010339033 [0,0,1,1,0,0|2,0,0]=4 1285 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [0,0,1,1,0,0|2,0,0]=4 1286 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [0,0,1,1,0,0|2,0,0]=4 1287 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [0,0,1,1,0,0|2,0,0]=4 1288 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [0,0,1,1,0,0|2,0,0]=4 1289 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [0,0,1,1,0,0|2,0,0]=4 1290 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [0,0,1,1,0,0|1,0,0]=3 1291 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [0,0,1,1,0,0|2,0,0]=4 1292 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [0,0,1,1,0,0|2,0,0]=4 1293 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [0,0,1,1,0,0|1,0,0]=3 1294 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,0,1,1,0,0|1,0,0]=3 1295 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [0,0,1,1,0,0|1,0,0]=3 1296 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [0,0,1,1,0,0|1,0,0]=3 1297 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [0,0,1,1,0,0|1,0,0]=3 1298 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,0,1,1,0,0|0,0,0]=2 1299 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,0,1,1,0,0|0,0,0]=2 1300 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [0,0,1,1,0,0|0,0,1]=3 1301 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [0,0,1,1,0,0|1,0,0]=3 1302 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [0,0,1,1,0,0|1,0,0]=3 1303 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [0,0,1,1,0,0|1,0,0]=3 1304 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,0,1,1,0,0|1,0,0]=3 1305 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [0,0,1,1,0,0|2,0,0]=4 1306 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [0,0,1,1,0,0|1,0,1]=4 1307 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [0,0,1,1,0,0|1,0,1]=4 1308 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [0,0,1,1,0,0|0,0,2]=4 1309 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [0,0,1,1,0,0|2,0,0]=4 1310 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [0,0,1,1,0,0|2,0,0]=4 1311 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [0,0,1,1,0,0|2,0,0]=4 1312 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [0,0,1,1,0,0|1,0,0]=3 1313 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,0,1,1,0,0|1,0,0]=3 1314 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [0,0,1,1,0,0|1,0,0]=3 1315 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [0,0,1,1,0,0|2,0,0]=4 1316 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [0,0,1,1,0,0|2,0,0]=4 1317 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [0,0,1,1,0,0|2,0,0]=4 1318 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [0,0,1,1,0,0|2,0,0]=4 1319 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [0,0,1,1,0,0|1,0,0]=3 1320 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [0,0,1,1,0,0|1,0,0]=3 1321 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [0,0,1,1,0,0|1,0,0]=3 1322 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [0,0,1,1,0,0|1,0,0]=3 1323 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,0,1,1,0,0|0,0,0]=2 1324 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [0,0,1,1,0,0|0,0,1]=3 1325 B10R1.31 C=C(C)c1coc(c1)C=O 271570a_100000694244_100000747035 [0,0,1,1,0,0|2,0,0]=4 1326 B10R1.31 C=Cc1cc(cs1)C(=O)C 271570a_100011290941_200012344231 [0,0,1,1,0,0|0,1,0]=3 1327 B10R1.31 C=Cc1cc(cs1)C(=O)N 271570a_100011290941_100000747962 [0,0,1,1,0,0|1,1,0]=4 1328 B10R1.31 C=Cc1ccc([nH]1)C(=O)C 271570a_100011290941_200010494458 [0,0,1,1,0,0|2,0,0]=4 1329 B10R1.31 C=Cc1ccc(o1)C(=O)C 271570a_100011290941_100000229899 [0,0,1,1,0,0|2,0,0]=4 1330 B10R1.31 C=Cc1ccc(s1)C(=O)C 271570a_100011290941_100000183331 [0,0,1,1,0,0|2,0,0]=4 1331 B10R1.31 C=Cc1csc(c1)C(=O)C 271570a_100011290941_100000718618 [0,0,1,1,0,0|2,0,0]=4 1332 B10R1.31 C=Cc1nc(co1)C(=O)N 271570a_100011290941_100009981048 [0,0,1,1,0,0|2,0,0]=4 1333 B10R1.31 C=Cc1ncc(s1)C(=O)C 271570a_100011290941_200010173910 [0,0,1,1,0,0|2,0,0]=4 1334 B10R1.30 C=Cc1cc(ccc1Br)C 271570a_100011290941_100012353751 [0,0,1,1,0,0|2,0,0]=4 1335 B10R1.30 C=Cc1cc(ccc1C)C 271570a_100011290941_100000210833 [0,0,1,1,0,0|2,0,0]=4 1336 B10R1.30 C=Cc1cc(ccc1Cl)C 271570a_100011290941_100012356289 [0,0,1,1,0,0|2,0,0]=4 1337 B10R1.30 C=Cc1cc(ccc1F)C 271570a_100011290941_100000736223 [0,0,1,1,0,0|2,0,0]=4 1338 B10R1.30 C=Cc1cc(ccc1N)C 271570a_100011290941_100000210942 [0,0,1,1,0,0|2,0,0]=4 1339 B10R1.30 C=Cc1cc(ccc1O)Br 271570a_100011290941_100012355227 [0,0,1,1,0,0|1,0,1]=4 1340 B10R1.30 C=Cc1cc(ccc1O)C 271570a_100011290941_100000765521 [0,0,1,1,0,0|1,0,0]=3 1341 B10R1.30 C=Cc1cc(ccc1O)Cl 271570a_100011290941_100011356953 [0,0,1,1,0,0|1,0,1]=4 1342 B10R1.30 C=Cc1cc(ccc1O)F 271570a_100011290941_100000211999 [0,0,1,1,0,0|1,0,1]=4 1343 B10R1.30 C=Cc1cc(ccc1O)N 271570a_100011290941_100011534360 [0,0,1,1,0,0|1,0,1]=4 1344 B10R1.30 C=Cc1cc(ccc1O)O 271570a_100011290941_100009813629 [0,0,1,1,0,0|0,0,2]=4 1345 B10R1.30 C=Cc1cc(cnc1O)C 271570a_100011290941_100000049931 [0,0,1,1,0,0|2,0,0]=4 1346 B10R1.30 C=Cc1cc(ncc1O)C 271570a_100011290941_100009843476 [0,0,1,1,0,0|2,0,0]=4 1347 B10R1.30 C=Cc1nc(ccc1C)C 271570a_100011290941_100009854376 [0,0,1,1,0,0|2,0,0]=4 1348 B10R1.30 C=Cc1nc(ccc1F)C 271570a_100011290941_100009817602 [0,0,1,1,0,0|2,0,0]=4 1349 B10R1.30 C=Cc1nc(ccc1N)C 271570a_100011290941_100000685570 [0,0,1,1,0,0|2,0,0]=4 1350 B10R1.30 C=Cc1nc(ccc1O)Br 271570a_100011290941_100010253912 [0,0,1,1,0,0|2,0,0]=4 1351 B10R1.30 C=Cc1nc(ccc1O)C 271570a_100011290941_100000702858 [0,0,1,1,0,0|1,0,0]=3 1352 B10R1.30 C=Cc1nc(ccc1O)Cl 271570a_100011290941_100000696390 [0,0,1,1,0,0|2,0,0]=4 1353 B10R1.30 C=Cc1nc(ccc1O)F 271570a_100011290941_100010382442 [0,0,1,1,0,0|2,0,0]=4 1354 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [0,0,1,1,0,0|2,0,0]=4 1355 B10R1.30 Cc1ccc(c(n1)C=O)O 271570a_203496583355_100010173661 [0,0,1,1,0,0|2,0,0]=4 1356 B10R1.113 C=C(C)c1cc(ccn1)O 271570a_100000694244_100000762945 [0,0,1,1,0,0|2,0,0]=4 1357 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [0,0,1,1,0,0|2,0,0]=4 1358 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [0,0,1,1,0,0|2,0,0]=4 1359 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [0,0,1,1,0,0|2,0,0]=4 1360 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [0,0,1,1,0,0|2,0,0]=4 1361 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [0,0,1,1,0,0|2,0,0]=4 1362 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [0,0,1,1,0,0|1,0,0]=3 1363 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [0,0,1,1,0,0|1,0,0]=3 1364 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [0,0,1,1,0,0|1,1,0]=4 1365 B10R1.113 C=C(C)c1cncc(c1)O 271570a_100000694244_100000754920 [0,0,1,1,0,0|2,0,0]=4 1366 B10R1.113 C=C(C)c1cncc(c1)O 271570a_203496583355_200009889500 [0,0,1,1,0,0|2,0,0]=4 1367 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,0,1,1,0,0|1,0,0]=3 1368 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,0,1,1,0,0|1,0,0]=3 1369 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,0,1,1,0,0|1,0,0]=3 1370 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,0,1,1,0,0|1,0,0]=3 1371 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,0,1,1,0,0|1,0,0]=3 1372 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,0,1,1,0,0|1,0,0]=3 1373 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,0,1,1,0,0|0,0,0]=2 1374 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,0,1,1,0,0|0,0,0]=2 1375 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,0,1,1,0,0|1,0,0]=3 1376 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [0,0,1,1,0,0|1,0,0]=3 1377 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [0,0,1,1,0,0|2,0,0]=4 1378 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,0,1,1,0,0|1,0,0]=3 1379 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [0,0,1,1,0,0|1,0,1]=4 1380 B10R1.113 CC(N)c1cccc(c1)O 271570a_203496583355_100020642005 [0,0,1,1,0,0|1,0,1]=4 1381 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [0,0,1,1,0,0|0,0,2]=4 1382 B10R1.113 CN(C)c1cccc(c1)O 2230a_100000756613_200000210301 [0,0,1,1,0,0|2,0,0]=4 1383 B10R1.113 CN(C)c1cccc(c1)O 269982a_100000756613_200000210301 [0,0,1,1,0,0|2,0,0]=4 1384 B10R1.113 CN(C)c1cccc(c1)O 271570a_203496583355_100011215952 [0,0,1,1,0,0|2,0,0]=4 1385 B10R1.113 CN(C)c1cccc(c1)O 34a_100000756613_200000210301 [0,0,1,1,0,0|2,0,0]=4 1386 B10R1.113 CN([13CH3])c1cccc(c1)O 2230a_100000756613_200025704644 [0,0,1,1,0,0|2,0,0]=4 1387 B10R1.113 CN([13CH3])c1cccc(c1)O 269982a_100000756613_200025704644 [0,0,1,1,0,0|2,0,0]=4 1388 B10R1.113 CN([13CH3])c1cccc(c1)O 34a_100000756613_200025704644 [0,0,1,1,0,0|2,0,0]=4 1389 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [0,0,1,1,0,0|1,0,0]=3 1390 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,0,1,1,0,0|1,0,0]=3 1391 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [0,0,1,1,0,0|2,0,0]=4 1392 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [0,0,1,1,0,0|1,0,0]=3 1393 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [0,0,1,1,0,0|2,0,0]=4 1394 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [0,0,1,1,0,0|2,0,0]=4 1395 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [0,0,1,1,0,0|2,0,0]=4 1396 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,0,1,1,0,0|1,0,0]=3 1397 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,0,1,1,0,0|1,0,0]=3 1398 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,0,1,1,0,0|1,0,0]=3 1399 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,0,1,1,0,0|1,0,0]=3 1400 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,0,1,1,0,0|0,0,0]=2 1401 B12R2.6 Brc1ccc(s1)c2ccco2 271570a_100000750936_100010197418 [0,0,0,1,0,1|1,1,0]=4 1402 B12R2.6 Brc1csc(n1)c2ccco2 271570a_100000750936_200016082925 [0,0,0,1,0,1|2,0,0]=4 1403 B12R2.6 Cc1c[nH]c(n1)c2ccco2 271570a_100000750936_100161115468 [0,0,0,1,0,1|1,0,0]=3 1404 B12R2.6 Cc1c[nH]c(n1)c2cccs2 271570a_100000742291_100161115468 [0,0,0,1,0,1|1,1,0]=4 1405 B12R2.6 Cc1cc(cs1)c2ccco2 271570a_100000699828_100009814098 [0,0,0,1,0,1|1,0,0]=3 1406 B12R2.6 Cc1cc(cs1)c2ccco2 271570a_100000750936_100000759034 [0,0,0,1,0,1|1,0,0]=3 1407 B12R2.6 Cc1cc(cs1)c2cccs2 271570a_100000699828_100011215356 [0,0,0,1,0,1|1,1,0]=4 1408 B12R2.6 Cc1cc(cs1)c2cccs2 271570a_100000742291_100000759034 [0,0,0,1,0,1|1,1,0]=4 1409 B12R2.6 Cc1cc(cs1)c2cnco2 271570a_100000699828_100020591547 [0,0,0,1,0,1|2,0,0]=4 1410 B12R2.6 Cc1cc(cs1)c2ncco2 271570a_100000699828_100011787736 [0,0,0,1,0,1|2,0,0]=4 1411 B12R2.6 Cc1cc(n[nH]1)c2ccco2 271570a_100000750936_100015199547 [0,0,0,1,0,1|2,0,0]=4 1412 B12R2.6 Cc1cc(n[nH]1)c2ccco2 271570a_100009872134_100009814098 [0,0,0,1,0,1|2,0,0]=4 1413 B12R2.6 Cc1cc(sn1)c2ccco2 271570a_100000750936_100009815735 [0,0,0,1,0,1|2,0,0]=4 1414 B12R2.6 Cc1ccc(o1)c2ccco2 271570a_100000061910_100009814098 [0,0,0,1,0,1|0,0,1]=3 1415 B12R2.6 Cc1ccc(o1)c2cccs2 271570a_100000061910_100011215356 [0,0,0,1,0,1|0,1,1]=4 1416 B12R2.6 Cc1ccc(o1)c2cnco2 271570a_100000061910_100020591547 [0,0,0,1,0,1|1,0,1]=4 1417 B12R2.6 Cc1ccc(o1)c2ncco2 271570a_100000061910_100011787736 [0,0,0,1,0,1|1,0,1]=4 1418 B12R2.6 Cc1ccc(s1)c2ccco2 271570a_100000750936_100000761539 [0,0,0,1,0,1|0,1,0]=3 1419 B12R2.6 Cc1ccc(s1)c2ccco2 271570a_100011934456_100009814098 [0,0,0,1,0,1|0,1,0]=3 1420 B12R2.6 Cc1ccc(s1)c2cccs2 271570a_100000742291_100000761539 [0,0,0,1,0,1|0,2,0]=4 1421 B12R2.6 Cc1ccc(s1)c2cccs2 271570a_100011934456_100011215356 [0,0,0,1,0,1|0,2,0]=4 1422 B12R2.6 Cc1ccc(s1)c2cnco2 271570a_100011934456_100020591547 [0,0,0,1,0,1|1,1,0]=4 1423 B12R2.6 Cc1ccc(s1)c2ncco2 271570a_100011934456_100011787736 [0,0,0,1,0,1|1,1,0]=4 1424 B12R2.6 Cc1cnc(s1)c2ccco2 271570a_100000750936_100000690809 [0,0,0,1,0,1|0,1,0]=3 1425 B12R2.6 Cc1cnc(s1)c2cccs2 271570a_100000742291_100000690809 [0,0,0,1,0,1|0,2,0]=4 1426 B12R2.6 Cc1csc(c1)c2ccco2 271570a_100000038307_100009814098 [0,0,0,1,0,1|1,0,0]=3 1427 B12R2.6 Cc1csc(c1)c2ccco2 271570a_100000750936_100009876951 [0,0,0,1,0,1|1,0,0]=3 1428 B12R2.6 Cc1csc(c1)c2cccs2 271570a_100000038307_100011215356 [0,0,0,1,0,1|1,1,0]=4 1429 B12R2.6 Cc1csc(c1)c2cccs2 271570a_100000742291_100009876951 [0,0,0,1,0,1|1,1,0]=4 1430 B12R2.6 Cc1csc(c1)c2cnco2 271570a_100000038307_100020591547 [0,0,0,1,0,1|2,0,0]=4 1431 B12R2.6 Cc1csc(c1)c2ncco2 271570a_100000038307_100011787736 [0,0,0,1,0,1|2,0,0]=4 1432 B12R2.6 Cc1csc(n1)c2ccco2 271570a_100000750936_100011291629 [0,0,0,1,0,1|1,0,0]=3 1433 B12R2.6 Cc1csc(n1)c2cccs2 271570a_100000742291_100011291629 [0,0,0,1,0,1|1,1,0]=4 1434 B12R2.6 Cc1nc(c[nH]1)c2ccco2 271570a_100000750936_100009814057 [0,0,0,1,0,1|1,0,0]=3 1435 B12R2.6 Cc1nc(c[nH]1)c2cccs2 271570a_100000742291_100009814057 [0,0,0,1,0,1|1,1,0]=4 1436 B12R2.6 Cc1nc(cs1)c2ccco2 271570a_100000750936_100011934587 [0,0,0,1,0,1|1,0,0]=3 1437 B12R2.6 Cc1nc(cs1)c2cccs2 271570a_100000742291_100011934587 [0,0,0,1,0,1|1,1,0]=4 1438 B12R2.6 Cc1nc(n[nH]1)c2ccco2 271570a_100000750936_100000732540 [0,0,0,1,0,1|2,0,0]=4 1439 B12R2.6 Cc1nc(no1)c2ccco2 270196a_100000735424_100000070787 [0,0,0,1,0,1|2,0,0]=4 1440 B12R2.6 Cc1nc(no1)c2ccco2 271570a_100000750936_100012003639 [0,0,0,1,0,1|2,0,0]=4 1441 B12R2.6 Cc1ncc(s1)c2ccco2 271570a_100000696845_100009814098 [0,0,0,1,0,1|0,1,0]=3 1442 B12R2.6 Cc1ncc(s1)c2ccco2 271570a_100000750936_100000764884 [0,0,0,1,0,1|0,1,0]=3 1443 B12R2.6 Cc1ncc(s1)c2cccs2 271570a_100000696845_100011215356 [0,0,0,1,0,1|0,2,0]=4 1444 B12R2.6 Cc1ncc(s1)c2cccs2 271570a_100000742291_100000764884 [0,0,0,1,0,1|0,2,0]=4 1445 B12R2.6 Cc1ncc(s1)c2cnco2 271570a_100000696845_100020591547 [0,0,0,1,0,1|1,1,0]=4 1446 B12R2.6 Cc1ncc(s1)c2ncco2 271570a_100000696845_100011787736 [0,0,0,1,0,1|1,1,0]=4 1447 B12R2.6 Cc1nnc(o1)c2ccco2 271570a_100000750936_100000708914 [0,0,0,1,0,1|1,0,1]=4 1448 B12R2.6 Cc1nnc(s1)c2ccco2 271570a_100000750936_100000686958 [0,0,0,1,0,1|1,1,0]=4 1449 B12R2.6 Cc1nsc(n1)c2ccco2 271570a_100000750936_100000709739 [0,0,0,1,0,1|2,0,0]=4 1450 B12R2.6 Clc1ccc(s1)c2ccco2 271570a_100000708867_100009814098 [0,0,0,1,0,1|1,1,0]=4 1451 B12R2.6 Cn1cc(cn1)c2ccco2 271570a_100000685319_100009814098 [0,0,0,1,0,1|2,0,0]=4 1452 B12R2.6 Cn1cc(cn1)c2ccco2 271570a_100000750936_100000748075 [0,0,0,1,0,1|2,0,0]=4 1453 B12R2.6 Cn1ccc(c1)c2ccco2 271570a_100010172022_100009814098 [0,0,0,1,0,1|2,0,0]=4 1454 B12R2.6 Cn1ccc(n1)c2ccco2 271570a_100000750936_100000752436 [0,0,0,1,0,1|2,0,0]=4 1455 B12R2.6 Cn1ccc(n1)c2ccco2 271570a_100012348833_100009814098 [0,0,0,1,0,1|2,0,0]=4 1456 B12R2.6 Cn1cnc(c1)c2ccco2 271570a_100000750936_100000040308 [0,0,0,1,0,1|2,0,0]=4 1457 B12R2.6 Cn1cnc(n1)c2ccco2 271570a_100000750936_100009819955 [0,0,0,1,0,1|2,0,0]=4 1458 B12R2.6 Cn1ncc(n1)c2ccco2 271570a_100000750936_100000733932 [0,0,0,1,0,1|2,0,0]=4 1459 B12R2.6 Nc1csc(n1)c2ccco2 271570a_100000750936_200015188442 [0,0,0,1,0,1|2,0,0]=4 1460 B12R2.6 Nc1nc(cs1)c2ccco2 271570a_100000750936_100011998049 [0,0,0,1,0,1|2,0,0]=4 1461 B12R2.6 O=C1C=C(CC1)c2ccco2 271570a_100010737933_100009814098 [0,0,0,1,0,1|0,0,2]=4 1462 B12R2.136 O=C1CC(C1)Sc2ccco2 62a_100009894365_100009814098 [0,0,0,1,0,1|0,0,2]=4 1463 B12R2.12 O=C1CCC1Sc2ccco2 62a_100009814098_100009892977 [0,1,0,1,0,0|1,0,1]=4 1464 B12R2.12 O=C1CCC1Sc2ccco2 62a_100009892977_100009814098 [0,1,0,1,0,0|1,0,1]=4 1465 B12R2.44 C=Cc1ccc2occc2c1 271570a_100011290941_100012343831 [0,1,0,1,0,0|1,0,1]=4 1466 B12R2.44 C=Cc1ccc2occc2n1 271570a_100011290941_100009851292 [0,1,0,1,0,0|1,0,1]=4 1467 B12R2.44 CNc1ccc2occc2c1 34a_106430523501_200000210301 [0,1,0,1,0,0|1,0,0]=3 1468 B12R2.44 CNc1ccc2ocnc2c1 34a_100011219863_200000210301 [0,1,0,1,0,0|2,0,0]=4 1469 B12R2.44 CNc1ccc2oncc2c1 34a_100000037595_200000210301 [0,1,0,1,0,0|2,0,0]=4 1470 B12R2.44 CNc1ccc2sccc2c1 34a_100000681076_200000210301 [0,1,0,1,0,0|1,1,0]=4 1471 B12R2.44 CNc1ccc2sccc2n1 27a_100102657272_100012000956 [0,1,0,1,0,0|1,1,0]=4 1472 B12R2.44 COc1ccc2[nH]ccc2c1 34a_100000756620_200000210301 [0,1,0,1,0,0|2,0,0]=4 1473 B12R2.44 COc1ccc2occc2c1 34a_100000070125_200000210301 [0,1,0,1,0,0|1,0,0]=3 1474 B12R2.44 COc1ccc2occc2c1 7a_100000070125_200000210301 [0,1,0,1,0,0|1,0,0]=3 1475 B12R2.44 COc1ccc2sccc2c1 34a_100012180905_200000210301 [0,1,0,1,0,0|1,1,0]=4 1476 B12R2.44 COc1ccc2sccc2c1 7a_100012180905_200000210301 [0,1,0,1,0,0|1,1,0]=4 1477 B12R2.44 CSc1ccc2[nH]ccc2c1 62a_200000210301_100000035808 [0,1,0,1,0,0|2,0,0]=4 1478 B12R2.44 CSc1ccc2[nH]ccc2n1 62a_200000210301_100000087148 [0,1,0,1,0,0|2,0,0]=4 1479 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_100009814306_200000210301 [0,1,0,1,0,0|2,0,0]=4 1480 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_200000210301_100009814306 [0,1,0,1,0,0|2,0,0]=4 1481 B12R2.44 CSc1ccc2occc2c1 62a_200000210301_100000691453 [0,1,0,1,0,0|1,0,0]=3 1482 B12R2.44 CSc1ccc2occc2n1 62a_200000210301_100009851292 [0,1,0,1,0,0|1,0,0]=3 1483 B12R2.44 CSc1ccc2ocnc2c1 62a_200000210301_100009816175 [0,1,0,1,0,0|2,0,0]=4 1484 B12R2.44 CSc1ccc2oncc2c1 62a_200000210301_100009817723 [0,1,0,1,0,0|2,0,0]=4 1485 B12R2.44 CSc1ccc2sccc2c1 62a_200000210301_100009814439 [0,1,0,1,0,0|1,1,0]=4 1486 B12R2.44 CSc1ccc2sccc2n1 62a_200000210301_100012000956 [0,1,0,1,0,0|1,1,0]=4 1487 B12R2.44 [13CH3]Nc1ccc2occc2c1 34a_106430523501_200025704644 [0,1,0,1,0,0|1,0,0]=3 1488 B12R2.44 [13CH3]Nc1ccc2ocnc2c1 34a_100011219863_200025704644 [0,1,0,1,0,0|2,0,0]=4 1489 B12R2.44 [13CH3]Nc1ccc2oncc2c1 34a_100000037595_200025704644 [0,1,0,1,0,0|2,0,0]=4 1490 B12R2.44 [13CH3]Nc1ccc2sccc2c1 34a_100000681076_200025704644 [0,1,0,1,0,0|1,1,0]=4 1491 B12R2.44 [13CH3]Oc1ccc2[nH]ccc2c1 34a_100000756620_200025704644 [0,1,0,1,0,0|2,0,0]=4 1492 B12R2.44 [13CH3]Oc1ccc2occc2c1 34a_100000070125_200025704644 [0,1,0,1,0,0|1,0,0]=3 1493 B12R2.44 [13CH3]Oc1ccc2occc2c1 7a_100000070125_200025704644 [0,1,0,1,0,0|1,0,0]=3 1494 B12R2.44 [13CH3]Oc1ccc2sccc2c1 34a_100012180905_200025704644 [0,1,0,1,0,0|1,1,0]=4 1495 B12R2.44 [13CH3]Oc1ccc2sccc2c1 7a_100012180905_200025704644 [0,1,0,1,0,0|1,1,0]=4 1496 B12R2.44 [13CH3]Sc1ccc2[nH]ccc2c1 62a_200025704644_100000035808 [0,1,0,1,0,0|2,0,0]=4 1497 B12R2.44 [13CH3]Sc1ccc2[nH]ccc2n1 62a_200025704644_100000087148 [0,1,0,1,0,0|2,0,0]=4 1498 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_100009814306_200025704644 [0,1,0,1,0,0|2,0,0]=4 1499 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_200025704644_100009814306 [0,1,0,1,0,0|2,0,0]=4 1500 B12R2.44 [13CH3]Sc1ccc2occc2c1 62a_200025704644_100000691453 [0,1,0,1,0,0|1,0,0]=3 1501 B12R2.44 [13CH3]Sc1ccc2occc2n1 62a_200025704644_100009851292 [0,1,0,1,0,0|1,0,0]=3 1502 B12R2.44 [13CH3]Sc1ccc2ocnc2c1 62a_200025704644_100009816175 [0,1,0,1,0,0|2,0,0]=4 1503 B12R2.44 [13CH3]Sc1ccc2oncc2c1 62a_200025704644_100009817723 [0,1,0,1,0,0|2,0,0]=4 1504 B12R2.44 [13CH3]Sc1ccc2sccc2c1 62a_200025704644_100009814439 [0,1,0,1,0,0|1,1,0]=4 1505 B12R2.44 [13CH3]Sc1ccc2sccc2n1 62a_200025704644_100012000956 [0,1,0,1,0,0|1,1,0]=4 1506 B12R2.82 Cc1c(ccc2c1cc[nH]2)O 271570a_203496583355_100010731972 [0,1,0,1,0,0|1,0,1]=4 1507 B12R2.82 Cc1ccc2[nH]ccc2c1O 271570a_203496583355_100010248896 [0,1,0,1,0,0|1,0,1]=4 1508 B12R2.100 Cc1cc2cc[nH]c2cc1O 271570a_203496583355_100010199660 [0,1,0,1,0,0|2,0,0]=4 1509 B12R2.100 Cc1cc2ccsc2cc1O 271570a_203496583355_100010762285 [0,1,0,1,0,0|1,1,0]=4 1510 B12R2.252 C=C(C)c1cc2sccc2s1 271570a_100000694244_200010191111 [0,1,0,1,0,0|1,1,0]=4 1511 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [0,1,0,1,0,0|0,0,2]=4 1512 B12R2.246 Cc1cc(c2occc2c1)O 271570a_203496583355_100012361857 [0,1,0,1,0,0|1,0,0]=3 1513 B12R2.246 Cc1cc(cc2c1occ2)O 271570a_203496583355_100012361858 [0,1,0,1,0,0|0,0,2]=4 1514 B12R2.246 Oc1cc(c2occc2c1)F 271570a_203496583355_100012355474 [0,1,0,1,0,0|0,0,2]=4 1515 B12R2.246 Oc1cc(c2occc2c1)O 271570a_203496583355_200010248604 [0,1,0,1,0,0|0,0,2]=4 1516 B12R2.246 Oc1cc(cc2c1occ2)F 271570a_203496583355_100011935139 [0,1,0,1,0,0|1,0,1]=4 1517 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [0,0,1,0,1,0|1,0,1]=4 1518 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [0,0,0,0,2,0|1,0,0]=3 1519 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [0,0,0,0,2,0|1,1,0]=4 1520 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [0,0,0,0,2,0|2,0,0]=4 1521 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [0,0,0,0,2,0|2,0,0]=4 1522 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [0,0,0,0,0,2|1,0,0]=3 1523 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [0,0,0,0,0,2|1,0,0]=3 1524 B12R1.252 CC(=O)C=CSc1ccccc1 1458a_100016262050_200000210301 [0,0,0,0,0,2|1,0,0]=3 1525 B12R1.252 CC(=O)NN=Cc1ccccc1 4a_100000189765_100015611070 [0,0,0,0,0,2|2,0,0]=4 1526 B12R1.252 CC(=O)NN=Cc1ccccn1 4a_100000189765_100000209966 [0,0,0,0,0,2|2,0,0]=4 1527 B12R1.252 CC(=O)NN=Cc1cccnc1 4a_100000189765_100000209961 [0,0,0,0,0,2|2,0,0]=4 1528 B12R1.252 CC(=O)NN=Cc1ccncc1 4a_100000189765_100000186114 [0,0,0,0,0,2|2,0,0]=4 1529 B12R1.252 CC(=O)NN=Cc1ccncn1 4a_100000189765_100011744739 [0,0,0,0,0,2|2,0,0]=4 1530 B12R1.252 CC(=O)NN=Cc1cnccn1 4a_100000189765_100000749867 [0,0,0,0,0,2|2,0,0]=4 1531 B12R1.252 CC(=O)NN=Cc1ncccn1 4a_100000189765_100011532527 [0,0,0,0,0,2|2,0,0]=4 1532 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [0,0,0,0,0,2|1,0,0]=3 1533 B12R1.252 [13CH3]C(=O)C=CSc1ccccc1 1458a_100016262050_200025704644 [0,0,0,0,0,2|1,0,0]=3 1534 B12R1.255 CC(=CCCSc1ccco1)C 62a_100009814098_100011217483 [0,0,0,0,0,2|1,0,1]=4 1535 B12R1.255 CC(=CCCSc1ccco1)C 62a_100011217483_100009814098 [0,0,0,0,0,2|1,0,1]=4 1536 B12R1.255 CC(=CCNCc1ccco1)C 2230a_100000185738_100000761012 [0,0,0,0,0,2|1,0,1]=4 1537 B12R1.255 CC(=CCNCc1ccco1)C 270004a_100000718196_100000186105 [0,0,0,0,0,2|1,0,1]=4 1538 B12R1.255 CC(=CCNCc1ccco1)C 34a_100000185738_100000761012 [0,0,0,0,0,2|1,0,1]=4 1539 B12R1.255 CC(=CCOCc1ccco1)C 34a_100000210059_100000761012 [0,0,0,0,0,2|1,0,1]=4 1540 B12R1.255 CC(=O)CCCSc1ccco1 62a_100009814098_100011215641 [0,0,0,0,0,2|0,0,2]=4 1541 B12R1.255 CC(=O)CCCSc1ccco1 62a_100011215641_100009814098 [0,0,0,0,0,2|0,0,2]=4 1542 B12R1.255 CC(=O)NCCSc1ccco1 62a_100000189650_100009814098 [0,0,0,0,0,2|0,0,2]=4 1543 B12R1.255 CC(=O)NCCSc1ccco1 62a_100009814098_100000189650 [0,0,0,0,0,2|0,0,2]=4 1544 B12R1.255 CC(=O)OCC=Cc1c[nH]cn1 271570a_200000047263_100000756875 [0,0,0,0,0,2|2,0,0]=4 1545 B12R1.255 CC(=O)OCC=Cc1cc[nH]n1 271570a_200000047263_100000062575 [0,0,0,0,0,2|2,0,0]=4 1546 B12R1.255 CC(=O)OCC=Cc1ccco1 271570a_200000047263_100009814098 [0,0,0,0,0,2|0,0,0]=2 1547 B12R1.255 CC(=O)OCC=Cc1cccs1 271570a_200000047263_100011215356 [0,0,0,0,0,2|0,1,0]=3 1548 B12R1.255 CC(=O)OCC=Cc1ccoc1 271570a_200000047263_100011215275 [0,0,0,0,0,2|2,0,0]=4 1549 B12R1.255 CC(=O)OCC=Cc1ccsc1 271570a_200000047263_100000738268 [0,0,0,0,0,2|2,0,0]=4 1550 B12R1.255 CC(=O)OCC=Cc1ccsn1 271570a_200000047263_100009818082 [0,0,0,0,0,2|2,0,0]=4 1551 B12R1.255 CC(=O)OCC=Cc1cnco1 271570a_200000047263_100020591547 [0,0,0,0,0,2|1,0,0]=3 1552 B12R1.255 CC(=O)OCC=Cc1cncs1 271570a_200000047263_100011934649 [0,0,0,0,0,2|1,1,0]=4 1553 B12R1.255 CC(=O)OCC=Cc1cscn1 271570a_200000047263_100000751502 [0,0,0,0,0,2|2,0,0]=4 1554 B12R1.255 CC(=O)OCC=Cc1ncc[nH]1 271570a_200000047263_100025796157 [0,0,0,0,0,2|2,0,0]=4 1555 B12R1.255 CC(=O)OCC=Cc1ncco1 271570a_200000047263_100011787736 [0,0,0,0,0,2|1,0,0]=3 1556 B12R1.255 CC(=O)OCC=Cc1nccs1 271570a_200000047263_100000211983 [0,0,0,0,0,2|1,1,0]=4 1557 B12R1.255 CC(=O)OCCSc1ccco1 62a_100009814007_100009814098 [0,0,0,0,0,2|0,0,2]=4 1558 B12R1.255 CC(=O)OCCSc1ccco1 62a_100009814098_100009814007 [0,0,0,0,0,2|0,0,2]=4 1559 B12R1.255 CC(=O)OCNCc1ccco1 34a_100000185738_100009813279 [0,0,0,0,0,2|0,0,2]=4 1560 B12R1.255 CC(=O)OCOCc1ccco1 34a_100000210059_100009813279 [0,0,0,0,0,2|0,0,2]=4