0 B8R1.1 CC1=CC(C=O)=CS1 CS-0054199 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.1 CC1=CC(CN)=CS1 CS-0109604 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.1 CC1=CC=C(C#N)S1 CS-0050425 [0,0,0,0,0,0|2,1,0]=3 3 B8R1.1 CC1=CC=C(CN)S1 CS-0035951 [0,0,0,0,0,0|2,1,0]=3 4 B8R1.1 CC1=CN=C(CO)N1 CS-0053142 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.1 CC1=CSC(C=O)=N1 CS-W011145 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.1 CC1=CSC(CO)=N1 CS-0109629 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.1 CC1=NC(CO)=CO1 CS-0061381 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.1 CC1=NC=C(CCl)S1 CS-0037238 [0,0,0,0,0,0|3,1,0]=4 9 B8R1.1 CC1=NC=C(CN)S1 CS-0113081 [0,0,0,0,0,0|3,1,0]=4 10 B8R1.1 CC1=NC=C(CO)O1 CS-0061386 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.1 CC1=NN=C(CCl)O1 CS-0018146 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.1 CCN1C=CC(Br)=N1 CS-0099971 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.1 CCN1C=C[N+](C)=C1 CS-0038419 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.1 CC[N+]1=CN(C)C=C1 CS-W012510 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.1 CN1C=CC(CCl)=N1 CS-0051708 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.1 CN1C=CC(CN)=N1 CS-0053896 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.1 CNC1=CN(C)N=C1 CS-0061785 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.1 CNC1=NC(C)=NS1 CS-0038197 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.1 CNC1=NN=C(C)S1 CS-0039142 [0,0,0,0,0,0|3,1,0]=4 20 B8R1.1 CSC1=CC(N)=NN1 CS-0113136 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.1 CSC1=NC(Br)=CS1 CS-0037488 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.1 CSC1=NN=C(Br)S1 CS-0106628 [0,0,0,0,0,0|3,1,0]=4 23 B8R1.1 CSC1=NN=C(Cl)S1 CS-0061683 [0,0,0,0,0,0|3,1,0]=4 24 B8R1.1 CSC1=NNC(Br)=N1 CS-0109780 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.1 N#CC1=CC=C(F)S1 CS-0050472 [0,0,0,0,0,0|3,1,0]=4 26 B8R1.1 N#CC1=CC=C(I)S1 CS-0112255 [0,0,0,0,0,0|3,1,0]=4 27 B8R1.1 NCC1=CC=C(Br)S1 CS-W000781 [0,0,0,0,0,0|3,1,0]=4 28 B8R1.1 NCC1=CC=C(Cl)S1 CS-0053153 [0,0,0,0,0,0|3,1,0]=4 29 B8R1.1 NCC1=CC=C(F)S1 CS-0053145 [0,0,0,0,0,0|3,1,0]=4 30 B8R1.1 OCC1=CC=C(Br)O1 CS-0113161 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.1 OCC1=CC=C(Cl)S1 CS-0053152 [0,0,0,0,0,0|3,1,0]=4 32 B8R1.1 OCC1=CC=C(F)O1 CS-0097124 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.1 OCC1=CC=C(F)S1 CS-B1086 [0,0,0,0,0,0|3,1,0]=4 34 B7R1.1 CCC1=NC=CN1 CS-0111073 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.1 CCC1=NNC=C1 CS-0111769 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.1 CNC1=NC=CO1 CS-0035780 [1,0,0,0,0,0|2,0,0]=3 37 B7R1.1 CNC1=NOC=C1 CS-0037975 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.1 CSC1=CN=CN1 CS-0062039 [1,0,0,0,0,0|2,0,0]=3 39 B7R1.1 CSC1=CNN=C1 CS-0038341 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.1 NCC1=CC=NO1 CS-0085315 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.2 BrC1=CC=C(Br)O1 CS-B1185 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.2 CC1=CN=C(Cl)S1 CS-D0062 [1,0,0,0,0,0|2,1,0]=4 43 B7R1.2 CC1=CN=C(N)N1 CS-D0292 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.2 CC1=CN=C(N)O1 CS-0036211 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.2 CC1=COC(Br)=N1 CS-0108731 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.2 CC1=COC(N)=N1 CS-0053949 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.2 CC1=COC(S)=N1 CS-0061363 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.2 CC1=CSC(I)=N1 CS-W007168 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.2 CC1=NC(N)=CS1 CS-0103583 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.2 CC1=NC=C(Br)S1 CS-0103613 [1,0,0,0,0,0|2,1,0]=4 51 B7R1.2 CC1=NN=C(Br)O1 CS-0079631 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.2 NC1=NC=C(Br)O1 CS-0101512 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.7 CC1=NN=C(CCO)O1 CS-0111685 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.21 CCC1=CC=C(C=O)S1 CS-0099746 [0,1,0,0,0,0|1,1,1]=4 55 B9R1.22 CCC1=NN(C)C=C1Br CS-0050993 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.22 COC1=NN(C)C=C1Br CS-0050988 [0,1,0,0,0,0|2,1,0]=4 57 B9R1.23 CC1=C(Br)C=C(C=O)S1 CS-0061189 [0,1,0,0,0,0|2,1,0]=4 58 B9R1.23 CCN1C=C(N)C(C)=N1 CS-0052570 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.23 CNC1=NN(C)C(C)=C1 CS-0036052 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.35 CC(N)C1=CC=C(Br)S1 CS-0106278 [0,1,0,0,0,0|2,1,0]=4 61 B9R1.35 CC1=CN=C(C(=O)[O-])O1 CS-0048703 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.35 C[C@H](N)C1=NN(C)C=C1 CS-0089103 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.1 CC1=CC=C(C#N)N=N1 CS-0050158 [0,0,0,0,0,1|3,0,0]=4 64 B9R1.1 CC1=CC=C(CN)N=N1 CS-0053126 [0,0,0,0,0,1|3,0,0]=4 65 B9R1.1 CC1=CC=C(NN)C=C1 CS-0110658 [0,0,0,0,0,1|3,0,0]=4 66 B9R1.1 CC1=CN=C(CO)C=C1 CS-0014708 [0,0,0,0,0,1|3,0,0]=4 67 B9R1.1 CC1=NN=C(C=O)C=C1 CS-0108567 [0,0,0,0,0,1|3,0,0]=4 68 B9R1.1 CCC1=CC=C(O)C=N1 CS-0105436 [0,0,0,0,0,1|3,0,0]=4 69 B9R1.1 COC1=CN=C(C)C=C1 CS-0082371 [0,0,0,0,0,1|1,1,0]=3 70 B9R1.1 COC1=CN=C(I)C=C1 CS-0082378 [0,0,0,0,0,1|2,1,0]=4 71 B9R1.1 COC1=CNC(=O)C=C1 CS-0096327 [0,0,0,0,0,1|2,1,0]=4 72 B9R1.1 CSC1=CC=C(Br)C=C1 CS-W015471 [0,0,0,0,0,1|2,0,0]=3 73 B9R1.1 CSC1=CC=C(N)C=N1 CS-0077370 [0,0,0,0,0,1|2,0,0]=3 74 B9R1.1 CSC1=CN=C(N)C=N1 CS-0077371 [0,0,0,0,0,1|3,0,0]=4 75 B9R1.2 C=CC1=CC(C)=CC=C1 CS-0110437 [0,0,0,0,0,1|2,0,1]=4 76 B9R1.2 CC1=CC=NC(C=O)=N1 CS-0050801 [0,0,0,0,0,1|3,0,0]=4 77 B9R1.2 CC1=CC=NC(CN)=C1 CS-0046314 [0,0,0,0,0,1|3,0,0]=4 78 B9R1.2 CC1=CC=NC(CN)=N1 CS-0038029 [0,0,0,0,0,1|3,0,0]=4 79 B9R1.2 CC1=CC=NC(CO)=N1 CS-0053193 [0,0,0,0,0,1|3,0,0]=4 80 B9R1.2 CC1=CN=CC(C#N)=C1 CS-0062464 [0,0,0,0,0,1|3,0,0]=4 81 B9R1.2 CC1=CN=CC(CN)=C1 CS-0035512 [0,0,0,0,0,1|3,0,0]=4 82 B9R1.2 CC1=CN=CC(CN)=C1 CS-0037797 [0,0,0,0,0,1|3,0,0]=4 83 B9R1.2 CC1=NC(CO)=CC=C1 CS-W008058 [0,0,0,0,0,1|3,0,0]=4 84 B9R1.2 CC1=NC(CO)=CN=C1 CS-0100025 [0,0,0,0,0,1|3,0,0]=4 85 B9R1.2 CC1=NC(NN)=CC=C1 CS-0061377 [0,0,0,0,0,1|3,0,0]=4 86 B9R1.2 CCC1=NC(Br)=CC=C1 CS-0061464 [0,0,0,0,0,1|3,0,0]=4 87 B9R1.2 CCC1=NC(O)=CC=N1 CS-0036926 [0,0,0,0,0,1|3,0,0]=4 88 B9R1.2 CCC1=NC=CC(Br)=C1 CS-0035828 [0,0,0,0,0,1|3,0,0]=4 89 B9R1.2 CCC1=NC=CC(Cl)=N1 CS-0035502 [0,0,0,0,0,1|3,0,0]=4 90 B9R1.2 CCC1=NC=CC(N)=C1 CS-0051911 [0,0,0,0,0,1|3,0,0]=4 91 B9R1.2 COC1=CC=CC(=O)N1 CS-0106047 [0,0,0,0,0,1|2,1,0]=4 92 B9R1.2 COC1=CC=NC(Br)=N1 CS-W018665 [0,0,0,0,0,1|2,1,0]=4 93 B9R1.2 COC1=CN=CC(I)=C1 CS-W012899 [0,0,0,0,0,1|2,1,0]=4 94 B9R1.2 COC1=CN=CC(O)=C1 CS-W011176 [0,0,0,0,0,1|2,1,0]=4 95 B9R1.2 COC1=NC=CC(Br)=N1 CS-0019378 [0,0,0,0,0,1|2,1,0]=4 96 B9R1.2 CSC1=CC(Br)=CN=C1 CS-0036100 [0,0,0,0,0,1|2,0,0]=3 97 B9R1.2 C\N=C1\C=C(C)C=CN1 CS-0061276 [0,0,0,0,0,1|2,0,0]=3 98 B6R1.2 CC1=CC=NO1 CS-0085310 [2,0,0,0,0,0|1,0,0]=3 99 B6R1.2 CC1=NC=CN1 CS-0111072 [2,0,0,0,0,0|2,0,0]=4 100 B6R1.2 CC1=NC=CN1 CS-0111074 [2,0,0,0,0,0|2,0,0]=4 101 B6R1.2 IC1=NC=CO1 CS-0051894 [2,0,0,0,0,0|2,0,0]=4 102 B6R1.2 NC1=CC=CN1 CS-0112997 [2,0,0,0,0,0|2,0,0]=4 103 B8R1.7 CC(=O)C1=NC=CO1 CS-0103616 [1,1,0,0,0,0|2,0,0]=4 104 B8R1.11 NC1=C(C=O)OC=C1 CS-0089104 [1,1,0,0,0,0|2,0,0]=4 105 B8R1.18 CC1=NC(C)=C(Br)S1 CS-0091403 [1,1,0,0,0,0|2,0,0]=4 106 B8R1.18 CC1=NN(C)C(Br)=C1 CS-0050657 [1,1,0,0,0,0|2,0,0]=4 107 B8R1.18 CC1=NN(C)C(Br)=C1 CS-0050658 [1,1,0,0,0,0|2,0,0]=4 108 B8R1.18 CC1=NN(C)C=C1Br CS-0036020 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.3 CCC1=CC=C(CBr)C=C1 CS-0061458 [0,1,0,0,0,1|2,0,0]=4 110 B10R1.3 COC1=CC=C(CN)C=N1 CS-0053129 [0,1,0,0,0,1|1,1,0]=4 111 B10R1.3 COC1=NN=C(CO)C=C1 CS-0056607 [0,1,0,0,0,1|1,1,0]=4 112 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 CS-0069083 [0,1,0,0,0,1|2,0,0]=4 113 B10R1.25 CNC1=C(Br)C=C(C)C=C1 CS-0061228 [0,1,0,0,0,1|2,0,0]=4 114 B10R1.25 CNC1=C(N)C=C(C)C=N1 CS-0091300 [0,1,0,0,0,1|2,0,0]=4 115 B10R1.25 COC1=C(O)C=C(C)C=N1 CS-0081679 [0,1,0,0,0,1|1,1,0]=4 116 B10R1.25 COC1=CC=C(C)N=C1Br CS-0092865 [0,1,0,0,0,1|1,1,0]=4 117 B10R1.25 COC1=NC=C(C)C=C1I CS-0081718 [0,1,0,0,0,1|1,1,0]=4 118 B10R1.25 COC1=NC=C(C)C=C1N CS-0081682 [0,1,0,0,0,1|1,1,0]=4 119 B10R1.25 CSC1=CC=C(Cl)C=C1Br CS-0110185 [0,1,0,0,0,1|2,0,0]=4 120 B10R1.176 CSC1=CC(F)=C(Br)C=C1 CS-0062037 [0,1,0,0,0,1|2,0,0]=4 121 B10R1.2 CSC1=C(I)C(N)=NC=C1 CS-0100881 [0,1,0,0,0,1|2,0,0]=4 122 B10R1.8 COC1=CC(Cl)=NC(C)=C1 CS-0059892 [0,1,0,0,0,1|1,1,0]=4 123 B10R1.8 CSC1=CC(Cl)=NC(C)=N1 CS-0050934 [0,1,0,0,0,1|1,0,0]=3 124 B10R1.8 CSC1=NC(C)=CC(Cl)=N1 CS-W009050 [0,1,0,0,0,1|1,0,0]=3 125 B10R1.8 CSC1=NC(N)=CC(N)=N1 CS-0078674 [0,1,0,0,0,1|2,0,0]=4 126 B10R1.10 CC1=CC(CCO)=CC=C1 CS-0038545 [0,1,0,0,0,1|2,0,0]=4 127 B10R1.10 CSCC1=CC(Br)=CC=C1 CS-0037537 [0,1,0,0,0,1|2,0,0]=4 128 B10R1.30 CCC1=C(O)C=CC(C)=N1 CS-0061447 [0,1,0,0,0,1|2,0,0]=4 129 B10R1.30 COC1=NC(C)=CC=C1Br CS-0101598 [0,1,0,0,0,1|1,1,0]=4 130 B10R1.30 COC1=NC(C)=CN=C1C CS-0012597 [0,1,0,0,0,1|1,1,0]=4 131 B10R1.30 CSC1=CC(Cl)=CC=C1Br CS-0110186 [0,1,0,0,0,1|2,0,0]=4 132 B10R1.30 CSC1=CC(F)=CC=C1Br CS-0084826 [0,1,0,0,0,1|2,0,0]=4 133 B10R1.113 CC1=CC=CC([C@H](C)N)=N1 CS-0091472 [0,1,0,0,0,1|2,0,0]=4 134 B10R1.113 CC1=NC([C@@H](C)N)=CC=C1 CS-0091418 [0,1,0,0,0,1|2,0,0]=4 135 B10R1.172 CCC1=CC(OC)=NC=C1 CS-0092411 [0,1,0,0,0,1|1,1,0]=4 136 B10R1.172 CNC1=NC(OC)=CC=C1 CS-0078649 [0,1,0,0,0,1|1,1,0]=4 137 B10R1.172 CNC1=NC(OC)=CC=N1 CS-0081674 [0,1,0,0,0,1|1,1,0]=4 138 B10R1.172 COC1=CC(CN)=CC=N1 CS-0053526 [0,1,0,0,0,1|1,1,0]=4 139 B10R1.172 COC1=CC=CC(CN)=N1 CS-0082293 [0,1,0,0,0,1|1,1,0]=4 140 B10R1.172 COC1=CC=CC(OC)=C1 CS-W018510 [0,1,0,0,0,1|1,1,0]=4 141 B10R1.172 COC1=CN=CC(CN)=C1 CS-0053144 [0,1,0,0,0,1|1,1,0]=4 142 B10R1.172 COC1=CN=CC(CN)=N1 CS-0108321 [0,1,0,0,0,1|1,1,0]=4 143 B10R1.172 COC1=NC(CN)=NC=C1 CS-0053198 [0,1,0,0,0,1|1,1,0]=4 144 B10R1.172 COC1=NC(CO)=CC=N1 CS-0053525 [0,1,0,0,0,1|1,1,0]=4 145 B10R1.172 COC1=NC(CO)=NC=C1 CS-0088891 [0,1,0,0,0,1|1,1,0]=4 146 B10R1.172 COC1=NC=CC(CCl)=C1 CS-0051170 [0,1,0,0,0,1|1,1,0]=4 147 B10R1.14 COC(=O)C1=CC=C(N)O1 CS-0049008 [0,2,0,0,0,0|1,1,0]=4 148 B10R1.31 CSC1=CC=C(C(=O)O)S1 CS-W017496 [0,2,0,0,0,0|0,1,1]=4 149 B10R1.34 CCC1=C(O)C(=O)C(C)O1 CS-0092871 [0,2,0,0,0,0|1,0,1]=4 150 B10R1.58 CC1=C(C)OC(C(=O)O)=C1 CS-0112756 [0,2,0,0,0,0|2,0,0]=4 151 B8R1.3 CC1=NN=C(O)C=C1 CS-0050159 [0,0,1,1,0,0|2,0,0]=4