0 B8R1.2 C#CC1=CC=CN=N1 37154 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.2 NNC1=CN=CN=C1 P12524 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.1 C#CC1=CN=C(N)C=N1 78951 [0,1,0,0,0,0|0,0,2]=3 3 B9R1.1 C=CC1=CN=C(Br)C=C1 68606 [0,1,0,0,0,0|1,0,2]=4 4 B9R1.1 FC1=CN=C(CCl)N=C1 P16513 [0,1,0,0,0,0|3,0,0]=4 5 B9R1.2 CC1=CC(CCl)=NN=C1 F30431 [0,1,0,0,0,0|3,0,0]=4 6 B9R1.2 CC1=CN=NC(CN)=C1 P15265 [0,1,0,0,0,0|3,0,0]=4 7 B9R1.2 ClC1=CC(CBr)=NC=C1 78953 [0,1,0,0,0,0|2,0,0]=3 8 B9R1.2 ClCC1=NC=CC(Br)=C1 D74784 [0,1,0,0,0,0|2,0,0]=3 9 B9R1.2 FC1=CC(CBr)=CN=C1 89068 [0,1,0,0,0,0|2,0,0]=3 10 B9R1.2 N#CC1=CN=CC(F)=N1 AT18572 [0,1,0,0,0,0|1,0,1]=3 11 B9R1.2 NC1=CC(CO)=NC=C1 P19020 [0,1,0,0,0,0|2,0,0]=3 12 B9R1.2 NC1=CC(CO)=NC=N1 CS2745 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.2 NCC1=CC=NC(Cl)=N1 P15224 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.2 O=CC1=NC=CC(F)=C1 P11634 [0,1,0,0,0,0|2,0,1]=4 15 B9R1.2 OC1=CC=NC(CCl)=N1 F19650 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.2 OCC1=NC=CC(F)=C1 79250 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.6 C[C@H](N)C1=CC=CN=N1 P20592 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25776 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.6 C[C@H](N)C1=NC=CC=N1 AT18259 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.6 C[C@H](N)C1=NC=NC=C1 F15538 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.6 OB(O)C1=NC=CN=C1 A51297 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.8 CCNC1=CC=CN=N1 79166 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.8 CSCC1=NC=CC=C1 W19655 [0,1,0,0,0,0|1,0,0]=2 24 B9R1.8 N#CCC1=CN=CN=C1 P10849 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.8 N#CCC1=NN=CC=C1 88651 [0,1,0,0,0,0|2,0,1]=4 26 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 78723 [0,1,0,0,0,0|1,0,1]=3 27 B9R1.15 CC1=C(CN)N=NC=C1 P17707 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.15 CC1=C(CO)C=CN=N1 F30531 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.15 CSC1=C(N)N=CC=C1 D83379 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.15 N#CC1=C(O)C=CN=C1 62397 [0,1,0,0,0,0|2,0,1]=4 31 B9R1.15 NCC1=C(Cl)C=CN=C1 D72882 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.15 NNC1=CC=CN=C1Cl Y14739 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.15 OCC1=C(Br)C=NC=N1 AC8251 [0,1,0,0,0,0|3,0,0]=4 34 B7R1.1 C#CC1=CN=CN1 79521 [0,0,0,0,1,0|0,0,3]=4 35 B7R1.1 ClCN1N=CC=N1 79276 [0,0,0,0,1,0|2,0,0]=3 36 B7R1.1 NCC1=CON=C1 H10991 [0,0,0,0,1,0|2,0,0]=3 37 B7R1.1 OCC1=NN=CO1 AT18766 [0,0,0,0,1,0|3,0,0]=4 38 B7R1.1 OCC1=NSC=C1 AT21123 [0,0,0,0,1,0|2,0,0]=3 39 B6R0.9 C\C=C(\C=O)CC AC9866 [1,0,1,0,0,0|1,0,1]=4 40 B8R1.3 FC1=CN=C(Cl)C=N1 P20780 [1,1,0,0,0,0|1,0,0]=3 41 B8R1.4 NC1=CC(I)=NC=C1 D96556 [1,1,0,0,0,0|2,0,0]=4 42 B8R1.5 CC1=C(Br)C=NN=C1 AT12789 [1,1,0,0,0,0|2,0,0]=4 43 B8R1.5 CC1=CN=NC=C1N P18597 [1,1,0,0,0,0|2,0,0]=4 44 B8R1.1 CC1=CSC(CN)=N1 C11625 [0,1,0,0,1,0|2,0,0]=4 45 B8R1.1 CC1=NC=C(CN)O1 C72631 [0,1,0,0,1,0|2,0,0]=4 46 B8R1.1 CCC1=CN=C(N)S1 C13826 [0,1,0,0,1,0|1,0,0]=3 47 B8R1.1 CCN1C=C(N)N=N1 AC8955 [0,1,0,0,1,0|2,0,0]=4 48 B8R1.1 CN1C=NC(CN)=N1 P18523 [0,1,0,0,1,0|2,0,0]=4 49 B8R1.1 COC1=CN=C(N)S1 F14523 [0,1,0,0,1,0|2,0,0]=4 50 B8R1.1 NCC1=CC=C(F)S1 38845 [0,1,0,0,1,0|2,0,0]=4 51 B8R1.1 NCC1=NC=C(Cl)S1 W17904 [0,1,0,0,1,0|2,0,0]=4 52 B8R1.1 NCC1=NNC(F)=C1 P19970 [0,1,0,0,1,0|2,0,0]=4 53 B8R1.1 OCC1=CC=C(F)S1 83085 [0,1,0,0,1,0|2,0,0]=4 54 B8R1.1 OCC1=NC=C(Br)O1 86228 [0,1,0,0,1,0|2,0,0]=4 55 B8R1.7 C[C@H](N)C1=CC=CO1 Y14798 [0,1,0,0,1,0|1,0,0]=3 56 B8R1.7 C[C@H](N)C1=CC=CS1 Y14840 [0,1,0,0,1,0|1,0,0]=3 57 B8R1.7 C[C@H](N)C1=CNN=C1 33731 [0,1,0,0,1,0|1,0,0]=3 58 B8R1.7 C[C@H](N)C1=COC=C1 D81573 [0,1,0,0,1,0|1,0,0]=3 59 B8R1.7 C[C@H](N)C1=NNC=C1 AT26569 [0,1,0,0,1,0|1,0,0]=3 60 B8R1.7 FC(F)C1=CNN=C1 P18863 [0,1,0,0,1,0|2,0,0]=4 61 B8R1.8 CNCC1=NC=CO1 66406 [0,1,0,0,1,0|1,0,0]=3 62 B8R1.8 COCC1=NNC=C1 AC8210 [0,1,0,0,1,0|1,0,0]=3 63 B8R1.8 NCCC1=CN=CS1 S10751 [0,1,0,0,1,0|1,0,0]=3 64 B8R1.11 CC1=NOC=C1CN Y14820 [0,1,0,0,1,0|2,0,0]=4 65 B8R1.11 CCN1N=CC=C1O AT26527 [0,1,0,0,1,0|1,0,0]=3 66 B10R1.1 COCC1=NC=C(O)C=N1 P15188 [0,2,0,0,0,0|2,0,0]=4 67 B10R1.1 OC1=CC=C(CCF)C=C1 W16630 [0,2,0,0,0,0|2,0,0]=4 68 B10R1.13 CC(C)C1=NC=C(N)C=C1 Y14829 [0,2,0,0,0,0|1,0,0]=3 69 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96455 [0,2,0,0,0,0|1,0,0]=3 70 B10R1.13 CN(C)C1=CN=C(Cl)C=N1 78767 [0,2,0,0,0,0|1,0,0]=3 71 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 Y14749 [0,2,0,0,0,0|1,0,0]=3 72 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 D96437 [0,2,0,0,0,0|1,0,0]=3 73 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 Y12111 [0,2,0,0,0,0|1,0,0]=3 74 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 96125 [0,2,0,0,0,0|1,0,0]=3 75 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12227 [0,2,0,0,0,0|1,0,0]=3 76 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y14559 [0,2,0,0,0,0|1,0,0]=3 77 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10226 [0,2,0,0,0,0|1,0,0]=3 78 B10R1.13 NC(=O)C1=NC=C(O)N=C1 11939 [0,2,0,0,0,0|1,0,1]=4 79 B10R1.13 O=[N+]([O-])C1=CN=C(Br)C=N1 82853 [0,2,0,0,0,0|2,0,0]=4 80 B10R1.13 OC1=CN=C(C(F)F)C=C1 O11507 [0,2,0,0,0,0|2,0,0]=4 81 B10R1.25 CC1=CN=C(C#N)C(Cl)=N1 D70692 [0,2,0,0,0,0|1,0,1]=4 82 B10R1.25 COC1=CN=C(Cl)C=C1Cl AC3276 [0,2,0,0,0,0|2,0,0]=4 83 B10R1.25 NC1=CC(Cl)=CN=C1CO P14259 [0,2,0,0,0,0|2,0,0]=4 84 B10R1.25 NCC1=C(Cl)C=C(F)C=N1 BL010216 [0,2,0,0,0,0|2,0,0]=4 85 B10R1.25 NCC1=NC=C(Cl)N=C1Cl D72151 [0,2,0,0,0,0|1,0,0]=3 86 B10R1.176 CC1=C(C)N=C(CN)C=C1 D85900 [0,2,0,0,0,0|2,0,0]=4 87 B10R1.176 COC1=CC(Br)=C(N)N=C1 P19026 [0,2,0,0,0,0|2,0,0]=4 88 B10R1.176 COC1=CC(Cl)=C(N)C=N1 AT16279 [0,2,0,0,0,0|2,0,0]=4 89 B10R1.176 COC1=CC(F)=C(Br)C=N1 P17805 [0,2,0,0,0,0|2,0,0]=4 90 B10R1.176 COC1=CC(N)=C(F)C=N1 C75734 [0,2,0,0,0,0|2,0,0]=4 91 B10R1.176 COC1=CC=C(O)C(Br)=N1 F53711 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.176 COC1=CN=C(Br)C(C)=N1 C72568 [0,2,0,0,0,0|1,0,0]=3 93 B10R1.176 FC1=C(Br)C=C(CCl)C=N1 C71877 [0,2,0,0,0,0|2,0,0]=4 94 B10R1.176 NCC1=CN=C(Cl)C(Cl)=C1 D79849 [0,2,0,0,0,0|2,0,0]=4 95 B10R1.176 OCC1=CC(Br)=C(F)N=C1 P17928 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.2 CCC1=NC=CC(C)=C1N 60037 [0,2,0,0,0,0|1,0,0]=3 97 B10R1.2 COC1=C(Br)C(Cl)=CC=N1 C71753 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.2 COC1=C(Br)C(F)=CC=N1 P12279 [0,2,0,0,0,0|2,0,0]=4 99 B10R1.2 COC1=CN=CC(Br)=C1N D84818 [0,2,0,0,0,0|2,0,0]=4 100 B10R1.8 CC1=CC(Br)=CC(CN)=N1 C76956 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.8 OCC1=CC(Br)=CC(Br)=N1 D96598 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.10 CC#CC1=NC=CC(Br)=C1 93993 [0,2,0,0,0,0|1,0,1]=4 103 B10R1.10 NCCC1=CC(F)=CN=C1 P21102 [0,2,0,0,0,0|1,0,0]=3 104 B10R1.10 OCCC1=CC(F)=CN=C1 P21101 [0,2,0,0,0,0|1,0,0]=3 105 B10R1.30 CC1=CC=C(N)C(CO)=N1 P12542 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.30 CC1=CN=C(Cl)C(CN)=C1 79403 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.30 CC1=NC(CN)=C(F)C=C1 D79767 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.30 CCC1=C(F)C=NC(Cl)=N1 D72178 [0,2,0,0,0,0|2,0,0]=4 109 B10R1.30 COC1=CC(F)=CN=C1Br D76819 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.30 COC1=CC(F)=CN=C1Cl D76820 [0,2,0,0,0,0|2,0,0]=4 111 B10R1.30 COC1=CC(F)=CN=C1N D70750 [0,2,0,0,0,0|2,0,0]=4 112 B10R1.30 CSC1=CC(C)=CN=C1Br D79859 [0,2,0,0,0,0|2,0,0]=4 113 B10R1.30 CSC1=CC(F)=CN=C1Br D79793 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.30 ClCC1=CC(Cl)=CN=C1Br C71880 [0,2,0,0,0,0|2,0,0]=4 115 B10R1.30 N#CC1=C(Cl)N=CC(Br)=N1 91415 [0,2,0,0,0,0|1,0,1]=4 116 B10R1.30 NCC1=CC(Br)=CN=C1F 79416 [0,2,0,0,0,0|2,0,0]=4 117 B10R1.113 CC(=O)C1=NC(N)=CC=C1 D85223 [0,2,0,0,0,0|1,0,1]=4 118 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 D96410 [0,2,0,0,0,0|1,0,0]=3 119 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y11455 [0,2,0,0,0,0|1,0,0]=3 120 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 90541 [0,2,0,0,0,0|1,0,0]=3 121 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y13928 [0,2,0,0,0,0|1,0,0]=3 122 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y14695 [0,2,0,0,0,0|2,0,0]=4 123 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 D85250 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.113 NC1=CC(C(F)F)=NC=C1 C90223 [0,2,0,0,0,0|2,0,0]=4 125 B10R1.113 NC1=CC=CC(C(F)F)=N1 C72274 [0,2,0,0,0,0|2,0,0]=4 126 B10R1.172 CCC1=CC=CC(NC)=N1 C77377 [0,2,0,0,0,0|1,0,0]=3 127 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72624 [0,2,0,0,0,0|2,0,0]=4 128 B10R1.61 CN(C)C1=CC=CN=C1N W19197 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74085 [0,2,0,0,0,0|1,0,0]=3 130 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74087 [0,2,0,0,0,0|1,0,0]=3 131 B10R1.61 C[C@H](N)C1=C(O)C=CC=C1 Y13669 [0,2,0,0,0,0|2,0,0]=4 132 B10R1.61 O=[N+]([O-])C1=NC=CN=C1Cl N13177 [0,2,0,0,0,0|2,0,0]=4 133 B10R1.4 CCNC1=C(Br)C=CN=N1 79171 [0,2,0,0,0,0|2,0,0]=4 134 B10R1.17 NNCCC1=CC=CC=C1 74134 [0,2,0,0,0,0|2,0,0]=4 135 B10R1.18 CC(C)NC1=CC=CN=N1 79167 [0,2,0,0,0,0|2,0,0]=4 136 B10R1.20 NCC1=C(CO)C=CC=N1 C71511 [0,2,0,0,0,0|2,0,0]=4 137 B10R1.245 COC1=C(F)C=CN=C1N D82404 [0,2,0,0,0,0|2,0,0]=4 138 B10R1.245 COC1=C(N)C=CN=C1C AC4530 [0,2,0,0,0,0|2,0,0]=4 139 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 86778 [0,1,0,1,0,0|2,0,0]=4 140 B6R1.2 BrC1=CC=NO1 A51037 [1,0,0,0,1,0|2,0,0]=4 141 B6R1.2 BrC1=COC=N1 AT22646 [1,0,0,0,1,0|2,0,0]=4 142 B6R1.2 FC1=CSC=C1 T72274 [1,0,0,0,1,0|2,0,0]=4 143 B6R1.2 FC1=NC=CN1 F31129 [1,0,0,0,1,0|1,0,1]=4