0 B10R1.20 CCC1=CC=CN=C1C#N 50481 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.20 CNC1=C(CO)C=CC=C1 C74490 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.20 CNC1=C(OC)C=CC=N1 77471 [0,0,0,0,0,0|2,1,0]=3 3 B10R1.20 CNC1=C(SC)C=CC=C1 AT20832 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.20 COC1=C(CN)N=CC=C1 O10088 [0,0,0,0,0,0|2,1,0]=3 5 B10R1.20 COC1=C(SC)C=CC=N1 F50798 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.20 COC1=CC=CN=C1CCl 27916 [0,0,0,0,0,0|2,1,0]=3 7 B10R1.20 COC1=NC=CC=C1CN 36590 [0,0,0,0,0,0|2,1,0]=3 8 B10R1.20 COC1=NC=CN=C1C=O P10873 [0,0,0,0,0,0|1,1,1]=3 9 B10R1.20 COC1=NC=CN=C1CN C71765 [0,0,0,0,0,0|1,1,0]=2 10 B10R1.20 N#CC1=NC=CC=C1CN 92898 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.20 NNC1=C(CO)C=CC=N1 D77554 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.15 C#CC1=CC=CN=C1C AT12964 [1,0,0,0,0,0|1,0,2]=4 13 B9R1.15 C#CC1=NC=CC=C1C 79080 [1,0,0,0,0,0|1,0,2]=4 14 B9R1.15 C#CC1=NC=CN=C1Cl N13059 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.15 CC1=C(CBr)C=CC=N1 FD9046 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.15 CC1=C(CBr)C=CC=N1 P11218 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.15 CC1=C(CCl)C=CC=N1 P10970 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.15 CC1=C(CO)C=NC=N1 F31023 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.15 CC1=CC=CN=C1CBr D97530 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.15 CC1=NC=CN=C1CCl P17257 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.15 CC1=NC=CN=C1CN 38702 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.15 CCC1=C(N)N=NC=C1 S11451 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.15 CCC1=CC=CN=C1C 75814 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.15 CCC1=CN=CN=C1O C15413 [1,0,0,0,0,0|2,1,0]=4 25 B9R1.15 ClC1=CC=CN=C1CBr 79180 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.15 ClC1=CC=CN=C1CBr 86640 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.15 ClCC1=CC=CN=C1Br 55187 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.15 FC1=C(CBr)C=CC=N1 AT20654 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.15 NC1=C(CCl)C=CC=N1 89794 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.15 NCC1=C(O)C=CC=N1 C73700 [1,0,0,0,0,0|2,1,0]=4 31 B9R1.15 NCC1=CC=CN=C1Cl 37571 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.15 NCC1=CC=CN=C1N CL0345 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.37 CNC1=C(OC)N=C(Br)C=N1 N11685 [0,1,0,0,0,0|1,1,0]=3 34 B11R1.37 COC1=C(CN)C=CC(Br)=N1 Y10459 [0,1,0,0,0,0|2,1,0]=4 35 B11R1.37 COC1=C(CO)C=CC(Br)=N1 Y10714 [0,1,0,0,0,0|2,1,0]=4 36 B11R1.37 COC1=C(NN)N=C(Br)C=N1 BL010271 [0,1,0,0,0,0|2,1,0]=4 37 B11R1.37 COC1=C(OC)N=C(Br)C=C1 AB21165 [0,1,0,0,0,0|2,1,0]=4 38 B11R1.37 COC1=CC(Br)=CN=C1CO 97691 [0,1,0,0,0,0|2,1,0]=4 39 B11R1.37 COC1=CC(Cl)=CN=C1OC N10224 [0,1,0,0,0,0|2,1,0]=4 40 B11R1.37 COC1=CC(O)=CN=C1OC D75062 [0,1,0,0,0,0|2,1,0]=4 41 B11R1.37 COC1=CC=C(C)N=C1OC D75013 [0,1,0,0,0,0|2,1,0]=4 42 B11R1.37 COC1=NC(C)=CC=C1CO W17835 [0,1,0,0,0,0|2,1,0]=4 43 B11R1.37 COC1=NC=C(Br)C=C1CN 37594 [0,1,0,0,0,0|2,1,0]=4 44 B11R1.37 CSC1=C(CO)C=CC(Br)=C1 94653 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.41 CCC1=C(CCO)C=CC=C1 C15362 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.41 CCNC1=C(OC)C=CC=N1 76883 [0,1,0,0,0,0|1,1,0]=3 47 B11R1.53 CCC1=C([N+](=O)[O-])C=CC=N1 P12962 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.53 COC1=C([C@H](C)N)N=CC=C1 90521 [0,1,0,0,0,0|1,1,0]=3 49 B11R1.53 CSC1=C(C(=O)O)N=CC=C1 AT16224 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.53 CSC1=NC=CC=C1B(O)O AT14957 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.53 CSC1=NC=CN=C1C(C)C F18029 [0,1,0,0,0,0|0,0,0]=1 52 B11R1.265 CCC1=CC=CC(O)=C1OC O11000 [0,1,0,0,0,0|2,1,0]=4 53 B11R2.1 C[C@@H]1N=NC2=NC=CC=C21 F17908 [0,0,0,1,0,0|3,0,0]=4 54 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 W18948 [0,0,0,1,0,0|3,0,0]=4 55 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D81362 [0,0,0,1,0,0|3,0,0]=4 56 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79496 [0,0,0,1,0,0|3,0,0]=4 57 B11R2.20 C1=CN=C2CNCCC2=C1 P10652 [0,0,0,1,0,0|3,0,0]=4 58 B9R1.14 CCC1=NNC=C1C=O O10999 [0,0,0,0,1,0|3,0,0]=4 59 B9R1.14 CCN1C=CN=C1CBr AT15681 [0,0,0,0,1,0|3,0,0]=4 60 B9R1.14 CCN1C=CN=C1CCl AT15684 [0,0,0,0,1,0|3,0,0]=4 61 B9R1.14 CCN1C=CN=C1CN AT15633 [0,0,0,0,1,0|3,0,0]=4 62 B9R1.14 CCN1C=CN=C1CN D73529 [0,0,0,0,1,0|3,0,0]=4 63 B9R1.14 CCN1C=CN=C1CO W12209 [0,0,0,0,1,0|3,0,0]=4 64 B9R1.14 CCN1N=CC=C1CCl AT15932 [0,0,0,0,1,0|3,0,0]=4 65 B9R1.14 CCN1N=CC=C1CN AT14325 [0,0,0,0,1,0|3,0,0]=4 66 B9R1.14 COC1=NSC=C1CCl AT11782 [0,0,0,0,1,0|2,1,0]=4 67 B8R1.2 C=CC1=NC=CN=C1 T72447 [2,0,0,0,0,0|0,0,2]=4 68 B8R1.2 CSC1=NC=CC=N1 O10841 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.2 SCC1=NC=CN=C1 78318 [2,0,0,0,0,0|1,0,0]=3 70 B8R1.5 CC1=NC=CN=C1I P10643 [2,0,0,0,0,0|1,0,0]=3 71 B8R1.5 FC1=CC=CN=C1S AT18759 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.5 FC1=NC=CN=C1I D76573 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.5 IC1=NC=CN=C1I N13386 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.2 CSC1=C(C)C(N)=CC=C1 AT20858 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.2 CSC1=CC=CC(Br)=C1C AC7030 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.4 CC1=CC=CN=C1CC#N C90297 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.4 CC1=NC=CN=C1\C=N/O N10113 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.4 CCNC1=CC=CN=C1O F30124 [1,1,0,0,0,0|1,1,0]=4 80 B10R1.4 CCNC1=NC=CC=C1N AC7989 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.4 CCNC1=NC=CN=C1Cl AT24639 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.4 CCOC1=C(F)C=CC=N1 F53248 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.4 CCOC1=CC=CN=C1Cl W17868 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.4 CNCC1=C(F)C=CC=N1 P10655 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.4 CNCC1=C(F)C=CC=N1 P20450 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.25 CC1=C(CCl)C=CC(F)=N1 77960 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.25 CC1=C(CO)C=CC(Br)=N1 AT12929 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.25 CC1=C(CO)C=CC(Cl)=N1 F16741 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.25 CC1=CN=C(CBr)C(C)=C1 O10504 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.25 CC1=CN=C(CN)C(C)=C1 D73748 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.25 CCC1=C(Br)C=C(Br)C=N1 F14393 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.25 CNC1=C(Cl)N=C(I)C=N1 N10094 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.25 COC1=C(C)N=C(N)C=C1 F53499 [1,1,0,0,0,0|1,1,0]=4 94 B10R1.25 COC1=NC=C(Br)N=C1Br 86827 [1,1,0,0,0,0|1,1,0]=4 95 B10R1.25 COC1=NC=C(C)N=C1Br 93937 [1,1,0,0,0,0|1,1,0]=4 96 B10R1.25 CSC1=NC=C(Br)C=C1C AT14138 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.25 NCC1=NC=C(Cl)N=C1Cl W17941 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.30 CC1=C(CO)N=C(Br)C=C1 AT18411 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.30 CC1=NC=C(Br)C=C1CCl AC3206 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.30 CCC1=C(C)C=CC(C)=C1 T71937 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.30 OCC1=NC(Br)=CN=C1Br 53048 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.61 CC(=O)C1=NC=CN=C1N P10974 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.61 CC(C)C1=NC=CN=C1Cl AT24532 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.61 CC(C)C1=NC=CN=C1N 60031 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.61 CC(C)C1=NC=CN=C1N W15952 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.61 CC1=C(C(C)C)C=CC=C1 T71005 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70081 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.61 C[C@H](N)C1=C(O)C=CC=N1 N14916 [1,1,0,0,0,0|1,1,0]=4 109 B10R1.61 C[C@H](N)C1=CC=CN=C1N P19332 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 C10363 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.5 CNCC1=CSN=C1OC AT21061 [0,1,0,0,1,0|1,1,0]=4 112 B12R1.46 COC1=NC=C(F)C=C1[C@H](C)N Y13430 [0,2,0,0,0,0|1,1,0]=4 113 B12R1.75 COC1=CC=CN=C1CC(C)=O F31310 [0,2,0,0,0,0|1,1,0]=4 114 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=N1 N14894 [0,2,0,0,0,0|1,1,0]=4 115 B12R1.77 COC1=C([C@@H](N)CO)N=CC=C1 N14895 [0,2,0,0,0,0|1,1,0]=4 116 B10R1.176 CSC1=CC(C)=C(Br)C=N1 AT14153 [0,0,1,1,0,0|1,0,1]=4 117 B10R2.7 C1=CN=C2CNCC2=N1 F12463 [1,0,0,1,0,0|1,0,0]=3 118 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [1,0,0,1,0,0|2,0,0]=4 119 B10R2.7 C1=CN=C2NCCC2=N1 P20982 [1,0,0,1,0,0|1,0,0]=3 120 B12R2.24 BrC1=NC2=C(CCCC2)N=C1 94412 [0,1,0,1,0,0|1,0,0]=3 121 B12R2.24 C[C@H]1CSC2=C(C=CC=C2)N1 W10084 [0,1,0,1,0,0|2,0,0]=4 122 B12R2.24 ClC1=CN=C2SCCNC2=C1 F30653 [0,1,0,1,0,0|2,0,0]=4 123 B12R2.24 O[C@H]1CCC2=C(C=CC=N2)C1 D78688 [0,1,0,1,0,0|2,0,0]=4 124 B12R2.1 NC[C@H]1CCC2=CC=CN=C21 C77541 [0,1,0,1,0,0|2,0,0]=4 125 B12R2.1081 Cl[C@H]1CCCC2=CC=CN=C21 P16790 [0,1,0,1,0,0|2,0,0]=4 126 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 22992 [0,1,0,1,0,0|2,0,0]=4 127 B12R2.1081 N[C@H]1CCOC2=C1N=CC=C2 E71333 [0,1,0,1,0,0|1,1,0]=4 128 B12R2.1081 O=C1CCCC2=NC=CN=C12 P11622 [0,1,0,1,0,0|1,0,0]=3 129 B12R2.1081 O[C@H]1CCCC2=C1C=CC=N2 90007 [0,1,0,1,0,0|2,0,0]=4 130 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 AC7539 [0,1,0,1,0,0|2,0,0]=4 131 B12R2.2403 CC1(C)CNC2=CC=CN=C21 85485 [0,1,0,1,0,0|2,0,0]=4 132 B12R2.196 CN1CCC2=C(Br)C=CN=C21 F12668 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.11 CC1=C(CBr)SC=N1 AT24615 [1,0,0,0,1,0|2,0,0]=4 134 B8R1.11 CC1=C(CCl)N=CS1 AT15300 [1,0,0,0,1,0|2,0,0]=4 135 B8R1.11 CC1=C(CCl)OC=N1 C11081 [1,0,0,0,1,0|2,0,0]=4 136 B8R1.11 CC1=C(CCl)SC=N1 74336 [1,0,0,0,1,0|2,0,0]=4 137 B8R1.11 CC1=C(CCl)SC=N1 AT15073 [1,0,0,0,1,0|2,0,0]=4 138 B8R1.11 CC1=C(CN)C=CO1 AT17524 [1,0,0,0,1,0|2,0,0]=4 139 B8R1.11 CC1=C(CN)C=CO1 AT17541 [1,0,0,0,1,0|2,0,0]=4 140 B8R1.11 CC1=C(CN)C=CS1 AT16801 [1,0,0,0,1,0|2,0,0]=4 141 B8R1.11 CC1=C(CN)N=CN1 AT15470 [1,0,0,0,1,0|1,0,1]=4 142 B8R1.11 CC1=C(CN)N=CO1 AT18605 [1,0,0,0,1,0|2,0,0]=4 143 B8R1.11 CC1=C(CN)NC=N1 F19544 [1,0,0,0,1,0|1,0,1]=4 144 B8R1.11 CC1=C(CN)OC=C1 AT17196 [1,0,0,0,1,0|2,0,0]=4 145 B8R1.11 CC1=C(CN)OC=N1 AT18687 [1,0,0,0,1,0|2,0,0]=4 146 B8R1.11 CC1=C(CN)SC=C1 71361 [1,0,0,0,1,0|2,0,0]=4 147 B8R1.11 CC1=C(CO)N=CS1 AT21447 [1,0,0,0,1,0|2,0,0]=4 148 B8R1.11 CC1=C(CO)SC=N1 74180 [1,0,0,0,1,0|2,0,0]=4 149 B8R1.11 CC1=CNN=C1CCl AT15943 [1,0,0,0,1,0|2,0,0]=4 150 B8R1.11 CC1=CON=C1CO 95084 [1,0,0,0,1,0|2,0,0]=4 151 B8R1.11 CC1=NOC=C1CCl AT19032 [1,0,0,0,1,0|2,0,0]=4 152 B8R1.11 CC1=NON=C1CBr D74168 [1,0,0,0,1,0|2,0,0]=4 153 B8R1.11 CC1=NON=C1CCl 70874 [1,0,0,0,1,0|2,0,0]=4 154 B8R1.11 CC1=NON=C1CO D74169 [1,0,0,0,1,0|2,0,0]=4 155 B8R1.11 CC1=NSC=C1CO AT21132 [1,0,0,0,1,0|2,0,0]=4 156 B8R1.11 CCC1=C(N)SC=N1 W15853 [1,0,0,0,1,0|2,0,0]=4 157 B8R1.11 CCC1=CNN=C1N 24047 [1,0,0,0,1,0|2,0,0]=4 158 B8R1.11 CCC1=NNC=C1I I11378 [1,0,0,0,1,0|2,0,0]=4 159 B8R1.11 CCC1=NNC=C1N AT14204 [1,0,0,0,1,0|2,0,0]=4 160 B8R1.11 CCN1C=CN=C1C F16031 [1,0,0,0,1,0|1,0,0]=3 161 B8R1.11 CCN1C=CN=C1N AT15605 [1,0,0,0,1,0|2,0,0]=4 162 B8R1.11 CCN1N=CC=C1Br F17300 [1,0,0,0,1,0|2,0,0]=4 163 B8R1.11 CCN1N=CC=C1Cl AT15849 [1,0,0,0,1,0|2,0,0]=4 164 B8R1.11 CCN1N=CC=C1O AT14056 [1,0,0,0,1,0|1,1,0]=4 165 B8R1.11 CCN1N=CN=C1N AT12360 [1,0,0,0,1,0|2,0,0]=4 166 B8R1.11 CCN1N=CN=C1N AT12361 [1,0,0,0,1,0|2,0,0]=4 167 B8R1.11 CN1C=CN=C1CBr AT15680 [1,0,0,0,1,0|2,0,0]=4 168 B8R1.11 CN1C=CN=C1CN AT15625 [1,0,0,0,1,0|2,0,0]=4 169 B8R1.11 CN1N=CC=C1CBr AT15925 [1,0,0,0,1,0|2,0,0]=4 170 B8R1.11 CN1N=CN=C1CO AT21385 [1,0,0,0,1,0|2,0,0]=4 171 B8R1.11 CN1N=CN=C1CO AT21388 [1,0,0,0,1,0|2,0,0]=4 172 B8R1.11 CNC1=CC=NN1C AT14117 [1,0,0,0,1,0|2,0,0]=4 173 B8R1.11 CNC1=CSN=C1C AT21113 [1,0,0,0,1,0|2,0,0]=4 174 B8R1.11 CNC1=NC=CN1C AT15602 [1,0,0,0,1,0|2,0,0]=4 175 B8R1.11 CNC1=NNC=C1C 57305 [1,0,0,0,1,0|2,0,0]=4 176 B8R1.11 COC1=C(C)C=CS1 91670 [1,0,0,0,1,0|1,1,0]=4