0 B9R1.22 CC1=C(C=O)N=C(Br)O1 D97290 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.22 CC1=C(C=O)N=C(N)S1 C75286 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.22 CC1=C(C=O)SC(Br)=N1 C77197 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.22 CC1=CC(N)=C(C#N)S1 50003 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.22 CC1=NC(Br)=C(CBr)S1 C73419 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.22 CC1=NC(C)=C(CN)S1 72289 [0,0,0,0,0,0|1,0,1]=2 6 B9R1.22 CC1=NC(C)=C(CO)S1 71413 [0,0,0,0,0,0|1,0,1]=2 7 B9R1.22 CC1=NC(CO)=C(C)O1 S11075 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.22 CC1=NN(C)C(C#N)=C1 W11021 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.22 CC1=NN(C)C(CCl)=C1 W10400 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.22 CC1=NN(C)C(CN)=C1 P10233 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.22 N#CC1=C(Cl)N=C(Cl)S1 24595 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.22 O=CC1=C(Cl)NC(=O)S1 F20156 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.22 OCC1=C(Br)N=C(Br)S1 35934 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.1 BrCC1=CN=C(Br)S1 24688 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.1 CC1=CC(C=O)=CS1 P15425 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.1 CC1=CC=C(C=O)N1 29847 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.1 CC1=CC=C(CN)S1 71266 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.1 CC1=CC=C(CO)S1 W10513 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.1 CC1=CN=C(C=O)S1 25174 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.1 CC1=NC=C(C#N)S1 F13465 [1,0,0,0,0,0|1,0,1]=3 21 B8R1.1 CC1=NC=C(C=O)O1 C10143 [1,0,0,0,0,0|1,1,0]=3 22 B8R1.1 CC1=NC=C(CBr)S1 F16665 [1,0,0,0,0,0|1,0,1]=3 23 B8R1.1 CC1=NC=C(CN)S1 72160 [1,0,0,0,0,0|1,0,1]=3 24 B8R1.1 CC1=NC=C(CN)S1 F14010 [1,0,0,0,0,0|1,0,1]=3 25 B8R1.1 CC1=NN=C(C=O)N1 AC2083 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.1 CC1=NN=C(C=O)S1 Y10085 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.1 CC1=NN=C(CN)S1 F30252 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.1 CC1=NN=C(CO)S1 F13044 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.1 CCC1=CN=C(N)S1 84403 [1,0,0,0,0,0|1,0,2]=4 30 B8R1.1 CNC1=NN=C(C)S1 71271 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.1 CSC1=CN=C(N)S1 C77378 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.1 CSC1=NN=C(C)S1 D80857 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.1 NCC1=CN=C(Br)S1 C13963 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.1 NCC1=CN=C(Br)S1 S11077 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.1 O=CC1=NN=C(Cl)S1 Y11504 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.11 C=CC1=NC=CN1C D84862 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.11 CC1=C(C#N)OC=N1 79144 [1,0,0,0,0,0|1,1,1]=4 38 B8R1.11 CC1=C(C=O)N=CS1 F12255 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.11 CC1=C(C=O)OC=N1 AT18679 [1,0,0,0,0,0|1,1,0]=3 40 B8R1.11 CCC1=C(C)N=CS1 60935 [1,0,0,0,0,0|0,0,2]=3 41 B8R1.11 CN1N=CN=C1C=O 97733 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.11 O=CC1=C(Br)N=CS1 88252 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.11 O=CC1=C(Cl)N=CS1 27650 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.11 OCC1=C(Br)N=CS1 26511 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.18 CC1=C(Br)N=C(Br)S1 31991 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.18 CC1=C(Br)N=C(N)S1 F30514 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.18 CC1=C(Br)SC(Br)=N1 F10450 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.18 CC1=C(C)NC(N)=N1 C72528 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.18 CC1=C(C)OC(N)=N1 F16841 [1,0,0,0,0,0|1,1,1]=4 50 B8R1.18 CC1=CC(Br)=C(C)S1 AT16738 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.18 CC1=CC(C)=C(C)S1 T71950 [1,0,0,0,0,0|1,0,1]=3 52 B8R1.18 CC1=CC(N)=C(C)S1 86689 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.18 CC1=NC(Br)=C(C)S1 C77077 [1,0,0,0,0,0|1,0,1]=3 54 B8R1.18 CC1=NC(C)=C(Br)S1 C15490 [1,0,0,0,0,0|1,0,0]=2 55 B8R1.18 CC1=NN(C)C(Br)=C1 38097 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.18 CC1=NN(C)C=C1Cl 57531 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.18 CC1=NN(C)C=C1I C76091 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.18 CC1=NN(C)C=C1O F30460 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.18 CC1=NN(C)N=C1Br O11170 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.34 CC1=C(Br)C(C)=C(C=O)N1 C77036 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.35 CSC1=NC(N)=C(C#N)S1 A51076 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 C74181 [0,1,0,0,0,0|1,1,1]=4 63 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 83678 [0,1,0,0,0,0|1,0,1]=3 64 B10R1.59 CC(=O)C1=C(C)N=C(Cl)S1 W17906 [0,1,0,0,0,0|1,0,1]=3 65 B10R1.59 CC(=O)C1=C(C)OC(C)=N1 C74185 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.59 CC(=O)C1=CC(C)=NN1C 25727 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 D73863 [0,1,0,0,0,0|2,0,0]=3 68 B10R1.59 CC1=C([N+](=O)[O-])SC(N)=N1 RB3270 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.59 CC1=CC(Br)=C(C(=O)O)S1 D95614 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 F16072 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 F52431 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 61000 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.59 O=C(O)C1=C(Br)N=C(Br)S1 27825 [0,1,0,0,0,0|3,0,0]=4 74 B10R2.2 BrC1=NC2=C(CCC2)S1 52778 [0,0,0,1,0,0|1,0,2]=4 75 B10R2.2 BrC1=NC2=C(CNC2)S1 80325 [0,0,0,1,0,0|2,0,1]=4 76 B10R2.2 NC1=NC2=C(C=CS2)S1 93682 [0,0,0,1,0,0|2,0,0]=3 77 B10R2.2 NC1=NC2=C(CCC2)S1 54823 [0,0,0,1,0,0|1,0,2]=4 78 B10R1.8 CC1=CC(C=O)=CC(C)=N1 85556 [0,0,0,0,0,1|2,0,0]=3 79 B10R1.8 CC1=CC(CCl)=CC(C)=N1 C15237 [0,0,0,0,0,1|2,0,1]=4 80 B10R1.8 CC1=CC(CCl)=CC(C)=N1 O11086 [0,0,0,0,0,1|2,0,1]=4 81 B10R1.8 CC1=CC(CO)=CC(C)=N1 24107 [0,0,0,0,0,1|2,0,1]=4 82 B10R1.8 CC1=CC(CO)=NC(C)=N1 P20536 [0,0,0,0,0,1|2,0,1]=4 83 B10R1.8 CC1=NC(C=O)=CC(Cl)=N1 59701 [0,0,0,0,0,1|3,0,0]=4 84 B10R1.8 COC1=NC(C)=NC(C)=C1 C72587 [0,0,0,0,0,1|2,0,1]=4 85 B10R1.25 CC1=C(C=O)C=CC(Br)=N1 C16730 [0,0,0,0,0,1|3,0,0]=4 86 B10R1.25 CC1=C(C=O)C=CC(F)=N1 C76919 [0,0,0,0,0,1|3,0,0]=4 87 B10R1.25 CC1=CC(C)=C(C=O)C=N1 C14259 [0,0,0,0,0,1|3,0,0]=4 88 B10R1.25 CC1=CC=C(C=O)C(Br)=N1 D82345 [0,0,0,0,0,1|3,0,0]=4 89 B10R1.25 CC1=NC(C)=C(CO)C=C1 F12480 [0,0,0,0,0,1|2,0,1]=4 90 B10R1.25 CC1=NC(N)=C(C=O)C=N1 66180 [0,0,0,0,0,1|3,0,0]=4 91 B10R1.25 COC1=C(C)N=C(C)N=C1 O11463 [0,0,0,0,0,1|2,0,1]=4 92 B10R1.30 CC1=CN=C(C)C(C#N)=N1 W18439 [0,0,0,0,0,1|2,0,1]=4 93 B10R1.30 CC1=CN=C(Cl)C(C=O)=C1 81874 [0,0,0,0,0,1|3,0,0]=4 94 B10R1.30 CC1=NC=C(Cl)C=C1C=O CL0290 [0,0,0,0,0,1|3,0,0]=4 95 B10R1.30 CCC1=NC(C)=CN=C1C F20894 [0,0,0,0,0,1|1,0,2]=4 96 B10R1.30 COC1=NC(C)=CN=C1C Y10564 [0,0,0,0,0,1|2,0,1]=4 97 B7R1.1 C=CC1=CC=CS1 C10114 [2,0,0,0,0,0|1,0,0]=3 98 B7R1.1 C=CC1=CN=CN1 D82417 [2,0,0,0,0,0|1,0,0]=3 99 B7R1.1 NCC1=CN=CS1 24148 [2,0,0,0,0,0|1,0,1]=4 100 B7R1.1 O=CC1=CN=CO1 39069 [2,0,0,0,0,0|1,1,0]=4 101 B7R1.2 CC1=CN=C(N)S1 C13827 [2,0,0,0,0,0|1,0,1]=4 102 B7R1.2 CC1=COC(Br)=N1 S10976 [2,0,0,0,0,0|1,1,0]=4 103 B7R1.2 CC1=COC(S)=N1 W16843 [2,0,0,0,0,0|1,1,0]=4 104 B7R1.2 CC1=CSC(Br)=C1 C15930 [2,0,0,0,0,0|2,0,0]=4 105 B7R1.2 CC1=CSC(C)=C1 O10605 [2,0,0,0,0,0|1,0,0]=3 106 B7R1.2 CC1=CSC(I)=N1 W17362 [2,0,0,0,0,0|1,0,0]=3 107 B7R1.2 CC1=NC(N)=NS1 AT11903 [2,0,0,0,0,0|2,0,0]=4 108 B7R1.2 CC1=NC=C(Br)S1 29668 [2,0,0,0,0,0|1,0,0]=3 109 B7R1.2 CC1=NC=C(N)S1 80222 [2,0,0,0,0,0|1,0,0]=3 110 B7R1.2 CC1=NSC(Br)=N1 80337 [2,0,0,0,0,0|2,0,0]=4 111 B7R1.2 ClC1=CN=C(Cl)S1 P13000 [2,0,0,0,0,0|2,0,0]=4 112 B7R1.2 ClC1=CSC(Br)=N1 I11405 [2,0,0,0,0,0|2,0,0]=4 113 B7R1.2 NC1=CN=C(Br)S1 I11438 [2,0,0,0,0,0|2,0,0]=4 114 B7R1.2 NC1=NC(Cl)=CS1 F13356 [2,0,0,0,0,0|2,0,0]=4 115 B7R1.2 NC1=NC=C(F)S1 39196 [2,0,0,0,0,0|2,0,0]=4 116 B7R1.2 OC1=NC(Br)=CS1 C71316 [2,0,0,0,0,0|2,0,0]=4 117 B7R1.4 CC1=C(C)NC=N1 SC3541 [2,0,0,0,0,0|1,0,1]=4 118 B7R1.4 CC1=C(Cl)NC=N1 P16604 [2,0,0,0,0,0|2,0,0]=4 119 B7R1.4 CC1=C(N)SC=N1 P18586 [2,0,0,0,0,0|1,0,0]=3 120 B9R1.21 CCC1=NC=C(C=O)N1 AT15333 [1,1,0,0,0,0|2,0,0]=4 121 B9R1.21 CCC1=NC=C(C=O)S1 O10772 [1,1,0,0,0,0|1,0,0]=3 122 B9R1.35 CC(=O)C1=CN=C(Cl)S1 F13142 [1,1,0,0,0,0|1,0,1]=4 123 B9R1.35 CC1=NC=C(C(=O)O)O1 F13461 [1,1,0,0,0,0|1,1,0]=4 124 B9R1.35 CC1=NN=C(C(=O)O)S1 I11693 [1,1,0,0,0,0|2,0,0]=4 125 B9R1.35 CC1=NN=C(C(=O)[O-])S1 I10757 [1,1,0,0,0,0|2,0,0]=4 126 B9R1.35 NC(=O)C1=CN=C(Br)S1 S10763 [1,1,0,0,0,0|2,0,0]=4 127 B9R1.132 CC1=NC=C(C=O)N1C C15385 [1,1,0,0,0,0|2,0,0]=4 128 B9R1.27 CC1=C(C=O)N(C)C=N1 C15686 [1,1,0,0,0,0|2,0,0]=4 129 B9R1.33 CC1=C(CCCl)SC=N1 30040 [1,1,0,0,0,0|0,0,2]=4 130 B9R1.33 CC1=C(CCN)SC=N1 W16954 [1,1,0,0,0,0|0,0,2]=4 131 B9R1.33 CC1=C(CCO)SC=N1 D77790 [1,1,0,0,0,0|0,0,2]=4 132 B9R1.41 O=C(O)C1=C(Br)N=CS1 88253 [1,1,0,0,0,0|2,0,0]=4 133 B9R1.37 CC1=C(C)C(I)=C(C)S1 32779 [1,1,0,0,0,0|1,0,1]=4 134 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 85554 [0,1,0,0,0,1|2,0,0]=4 135 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 27738 [0,1,0,0,0,1|2,0,0]=4 136 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 Y10097 [0,1,0,0,0,1|2,0,0]=4 137 B11R1.277 CC1=NC(C)=C(C)N=C1C=O C15170 [0,1,0,0,0,1|2,0,0]=4 138 B11R1.279 CSC1=NC(C)=C(C=O)C=N1 D83818 [0,1,0,0,0,1|2,0,0]=4 139 B11R1.167 CC(=O)C1=NC(C)=CN=C1C D82518 [0,1,0,0,0,1|1,0,1]=4 140 B11R1.167 CC1=CC(C(=O)O)=C(C)C=N1 P18651 [0,1,0,0,0,1|2,0,0]=4 141 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 36485 [0,1,0,0,0,1|2,0,0]=4 142 B11R1.49 CCC1=C(C(=O)O)SC(C)=N1 25111 [0,2,0,0,0,0|1,0,0]=3 143 B11R1.49 CCC1=C(C(C)=O)SC(N)=N1 W17901 [0,2,0,0,0,0|1,0,1]=4 144 B11R1.183 CCCC1=C(CO)SC(C)=N1 W12142 [0,2,0,0,0,0|1,0,1]=4 145 B11R1.50 CNC1=NC(C)=C(C(C)=O)S1 W18020 [0,2,0,0,0,0|0,0,1]=3 146 B11R1.225 CC1=NC(C)=C(C(=O)NN)S1 W18794 [0,2,0,0,0,0|1,0,0]=3 147 B11R1.225 COC(=O)C1=C(C)N=C(C)S1 W18908 [0,2,0,0,0,0|0,0,1]=3 148 B11R1.645 CC1=NC(C)=C(CC(=O)O)S1 71321 [0,2,0,0,0,0|0,0,1]=3 149 B9R1.69 CC1=NC(C)=C(Br)C=N1 S10258 [0,0,1,1,0,0|2,0,0]=4 150 B9R1.69 CC1=NC(C)=C(Cl)C=N1 AT11427 [0,0,1,1,0,0|2,0,0]=4 151 B9R1.69 CC1=NC(C)=C(O)C=N1 72557 [0,0,1,1,0,0|2,0,0]=4 152 B9R1.34 CC1=CC(Br)=NC(C)=N1 D78127 [0,0,1,1,0,0|2,0,0]=4 153 B9R2.3 C1=NC2=C(CNC2)S1 50602 [1,0,0,1,0,0|1,0,1]=4 154 B11R2.36 CC1=NC2=C(C=CN2)C=N1 C11297 [0,0,0,1,0,1|2,0,0]=4 155 B11R2.10 BrC1=NC2=C(N=CC=C2)S1 27469 [0,1,0,1,0,0|1,0,1]=4 156 B11R2.10 CC1=NC2=C(C=CN=C2)O1 F13462 [0,1,0,1,0,0|0,1,1]=4 157 B11R2.10 CC1=NC2=CC=CN=C2O1 AC1641 [0,1,0,1,0,0|0,1,1]=4 158 B11R2.10 CC1=NC2=CNC=NC2=N1 F11876 [0,1,0,1,0,0|2,0,0]=4 159 B11R2.10 ClC1=NC2=C(C=CC=N2)S1 25924 [0,1,0,1,0,0|1,0,1]=4 160 B11R2.10 ClC1=NC2=C(C=CN=C2)S1 27212 [0,1,0,1,0,0|1,0,1]=4 161 B11R2.10 ClC1=NC2=C(N=CC=C2)S1 27102 [0,1,0,1,0,0|1,0,1]=4 162 B11R2.10 ClC1=NC2=C(N=CC=N2)S1 C71625 [0,1,0,1,0,0|2,0,0]=4 163 B11R2.10 NC1=NC2=C(C=CC=N2)S1 P11220 [0,1,0,1,0,0|1,0,1]=4 164 B11R2.10 NC1=NC2=C(C=CN=C2)S1 P10566 [0,1,0,1,0,0|1,0,1]=4 165 B11R2.10 NC1=NC2=C(C=NC=C2)S1 CL3446 [0,1,0,1,0,0|1,0,1]=4 166 B11R2.10 SC1=NC2=C(C=NC=C2)S1 CS1641 [0,1,0,1,0,0|1,0,1]=4 167 B11R2.15 OCC1=CC2=C(C=CS2)S1 93745 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.1 C=CC1=CN=C(Cl)C=C1 F13416 [1,0,0,0,0,1|2,0,0]=4 169 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [1,0,0,0,0,1|2,0,0]=4