0 B10R1.20 C#CC1=CC=CN=C1OC E48442 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.20 CCC1=C(C=O)C=CC=C1 E49869 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.20 CCC1=C(CO)C=CC=C1 E50269 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.20 CCC1=NC=CN=C1OC E43629 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.20 CNC1=C(C=O)C=CC=N1 M45978 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.20 CNC1=C(CO)C=CC=C1 M38311 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.20 CNC1=C(CO)C=CC=N1 M43647 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.20 CNC1=C(NC)C=CC=C1 D46973 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.20 CNC1=C(OC)C=CC=C1 M46897 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.20 COC1=C(C#N)N=CC=C1 M45211 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.20 COC1=C(C=O)C=CC=N1 M4987 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.20 COC1=C(CBr)C=CC=N1 B26711 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.20 COC1=C(CBr)C=CC=N1 B46181 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.20 COC1=C(CN)C=CC=C1 M46906 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.20 COC1=C(CN)N=CC=C1 M46464 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.20 COC1=C(CO)N=CC=C1 M46400 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.20 COC1=C(OC)C=CC=C1 D64830 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.20 COC1=CC=CN=C1C=O M3691 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.20 COC1=CC=CN=C1OC D1095 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.20 COC1=CN=CN=C1OC D43216 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.20 COC1=NC=CC=C1C#N M12736 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.20 COC1=NC=CC=C1CN A12723 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.20 COC1=NC=CC=C1CN A7689 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.20 COC1=NC=CC=C1CO M12722 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.20 COC1=NC=CC=C1NN H43549 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.20 COC1=NC=CN=C1CN M43353 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.20 COC1=NC=CN=C1NN H41209 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.20 ClCC1=CC=CN=C1CCl B62022 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.20 ClCC1=NC=CN=C1CCl B42742 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.20 N#CC1=C(CBr)C=CC=N1 B37744 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.20 NCC1=C(CO)C=CC=C1 A46911 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.20 NCC1=C(CO)C=CC=N1 A46594 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.20 OCC1=C(CBr)C=CC=C1 B39077 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.20 OCC1=C(CO)C=CC=C1 B60807 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.15 BrCC1=C(Br)C=CC=N1 B32048 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.15 C#CC1=NC=CN=C1Cl C63547 [1,0,0,0,0,0|1,0,2]=4 36 B9R1.15 CC1=C(C#N)C=CC=N1 C10623 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.15 CC1=C(C=O)C=CC=N1 M1759 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.15 CC1=C(CBr)C=CC=N1 B15311 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.15 CC1=C(CCl)C=CC=N1 C14756 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.15 CC1=C(CN)C=CC=C1 M65907 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.15 CC1=C(CN)N=NC=C1 M60279 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.15 CC1=C(CO)C=CN=N1 M63840 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.15 CC1=CC=CN=C1C#N M29764 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.15 CC1=CC=CN=C1C=O M1872 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.15 CC1=CC=CN=C1CCl C14758 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.15 CC1=CC=CN=C1CCl C46105 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.15 CC1=CC=CN=C1CN M46460 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.15 CC1=CC=CN=C1CO H46388 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.15 CC1=NC=CN=C1C=O M14617 [1,0,0,0,0,0|1,0,1]=3 50 B9R1.15 CC1=NC=CN=C1CCl C14615 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.15 CC1=NC=CN=C1CN A11549 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.15 CC1=NC=CN=C1CO H14616 [1,0,0,0,0,0|1,0,0]=2 53 B9R1.15 CCC1=C(Br)C=CC=C1 B68946 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.15 CCC1=C(Br)C=CC=N1 B23432 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.15 CCC1=C(Br)C=NC=N1 B42964 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.15 CCC1=C(F)C=NC=N1 E0673 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.15 CCC1=C([Mg+])C=CC=C1 E31738 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.15 CCC1=CN=CN=C1Cl C42985 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.15 CCC1=NC=CN=C1C E43603 [1,0,0,0,0,0|0,0,0]=1 61 B9R1.15 CCC1=NC=CN=C1Cl C38966 [1,0,0,0,0,0|1,0,0]=2 62 B9R1.15 CCC1=NC=CN=C1N E43328 [1,0,0,0,0,0|1,0,0]=2 63 B9R1.15 CCC1=NC=CNC1=O E43188 [1,0,0,0,0,0|1,0,1]=3 64 B9R1.15 CNC1=C(C)C=CC=C1 D46860 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.15 CNC1=C(Cl)C=CC=N1 C42995 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.15 CNC1=CC=CN=C1Cl C42994 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.15 CNC1=CC=CN=C1N M62813 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.15 CNC1=NC=CC=C1N M43341 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.15 CNC1=NC=CN=C1N M63361 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.15 COC1=C(Br)C=CC=N1 B12855 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.15 COC1=C(Cl)C=CC=N1 C42900 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.15 COC1=C(F)C=CC=N1 F42926 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.15 COC1=C(I)C=CC=N1 K42933 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.15 COC1=C(N)N=CC=C1 A69248 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.15 COC1=CC=CN=C1Br B4536 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.15 COC1=CC=CN=C1Cl C24085 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.15 COC1=CC=CN=C1F F42924 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.15 COC1=CC=CN=C1I K62151 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.15 COC1=NC=CC=C1C M46378 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.15 COC1=NC=CC=C1N A12743 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.15 COC1=NC=CN=C1Br B40912 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.15 COC1=NC=CN=C1C M39278 [1,0,0,0,0,0|1,0,0]=2 83 B9R1.15 COC1=NC=CN=C1Cl C1053 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.15 COC1=NC=CN=C1I I3006 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.15 COC1=NC=CN=C1N M32096 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.15 CSC1=C(F)N=CC=C1 F42849 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.15 CSC1=NC=CN=C1C M43263 [1,0,0,0,0,0|1,0,0]=2 88 B9R1.15 ClCC1=C(Br)C=CC=N1 B42529 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42563 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42564 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.15 ClCC1=CC=CN=C1Cl C7688 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.15 ClCC1=NC=CN=C1Cl C12594 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.15 FC1=CC=CN=C1CBr B19661 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.15 FC1=CC=CN=C1CBr B7783 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.15 FC1=CC=CN=C1CCl C13988 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.15 N#CC1=NC=CN=C1Cl C0571 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.15 N#CC1=NC=CN=C1N A40815 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.15 NC1=C(CO)C=CC=N1 A12467 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.15 NC1=CC=CN=C1CO A24069 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.15 NC1=NC=CN=C1C=O A0269 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.15 NCC1=C(Cl)C=CC=N1 A14307 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.15 NCC1=C(Cl)C=CC=N1 C29809 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.15 NCC1=C(F)C=CC=N1 A12648 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.15 NCC1=C(F)C=CC=N1 A1712 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.15 NCC1=C(F)C=CC=N1 F61824 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.15 NCC1=C(O)C=CC=N1 A43199 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.15 NCC1=CC=CN=C1Cl A10464 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.15 NCC1=CC=CN=C1F F43528 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.15 NCC1=NC=CN=C1Cl C25893 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.15 NCC1=NC=CN=C1Cl C26687 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.15 NNC1=NC=CN=C1Cl C12505 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.15 O=CC1=NC=CN=C1Cl C12693 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.15 OCC1=C(Br)C=CC=N1 B42889 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.15 OCC1=C(Cl)C=CC=N1 C42910 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.15 OCC1=C(F)C=CC=N1 F1706 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.15 OCC1=C(O)C=CC=N1 H60848 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.15 OCC1=CC=CN=C1Br B69414 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.15 OCC1=CC=CN=C1Cl C0580 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.15 OCC1=CC=CN=C1F F42930 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.15 OCC1=NC=CN=C1Cl C1612 [1,0,0,0,0,0|2,0,0]=3 121 B11R1.37 CCC1=C(OC)C=CC(Br)=C1 B50154 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.37 CCC1=NC=C(C)N=C1CC D50396 [0,1,0,0,0,0|0,0,0]=1 123 B11R1.37 COC1=C(CBr)C=CC(Br)=N1 B45872 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.37 COC1=C(CN)C=CC(Br)=N1 B46323 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.37 COC1=C(CN)C=CC(Br)=N1 B46325 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.37 COC1=C(CO)C=CC(Br)=N1 B46129 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.37 COC1=C(OC)N=C(Br)C=N1 B43030 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.37 COC1=C(OC)N=C(I)C=C1 K62513 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.37 COC1=CC(Br)=CN=C1OC B46127 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.37 COC1=CC(C)=CN=C1OC D46918 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.37 COC1=CC=C(N)N=C1OC D43649 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.37 COC1=NC(N)=CN=C1C#N A63896 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.37 COC1=NC=C(Br)C=C1CN A10481 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.37 COC1=NC=C(Br)C=C1CO B12770 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.37 COC1=NC=C(F)C=C1CO F32261 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.41 CCNC1=C(C#N)C=CC=N1 E49201 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.41 CNCC1=C(OC)C=CC=C1 M50356 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.41 COC1=C(CCBr)C=CC=C1 B50155 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.41 COC1=C(CCN)C=CC=C1 M66296 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.41 COC1=C(CCO)C=CC=C1 M50284 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.53 CC(C)C1=C(CBr)C=CC=C1 B11974 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.53 CCC1=C(B(O)O)C=CC=N1 E43700 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 E49269 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.53 CCC1=NC=CN=C1C(C)=O E46656 [0,1,0,0,0,0|0,0,1]=2 145 B11R1.53 COC1=C(C(C)=O)C=CC=N1 M49287 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 M50344 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 M60510 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.53 COC1=CC=CN=C1C(C)=O M27805 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.53 COC1=NC=CN=C1C(=O)O M42787 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.53 OCC1=CC=CN=C1C(F)F D45888 [0,1,0,0,0,0|3,0,0]=4 151 B11R2.1 CC1=NNC2=NC=CN=C12 M1752 [0,0,0,1,0,0|2,0,1]=4 152 B11R2.1 C[C@H]1CCC2=NC=CN=C21 M46644 [0,0,0,1,0,0|0,0,0]=1 153 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 D37063 [0,0,0,1,0,0|3,0,0]=4 154 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52091 [0,0,0,1,0,0|3,0,0]=4 155 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52092 [0,0,0,1,0,0|3,0,0]=4 156 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D49490 [0,0,0,1,0,0|2,0,0]=3 157 B11R2.1 N[C@H]1COC2=NC=CC=C21 D64566 [0,0,0,1,0,0|3,0,0]=4 158 B11R2.1 O=C1CCC2=C1C=CC=N2 D5364 [0,0,0,1,0,0|2,0,1]=4 159 B11R2.1 O=C1CCC2=CC=CN=C12 C48452 [0,0,0,1,0,0|2,0,1]=4 160 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 D68576 [0,0,0,1,0,0|3,0,0]=4 161 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D60804 [0,0,0,1,0,0|3,0,0]=4 162 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D68574 [0,0,0,1,0,0|3,0,0]=4 163 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D67550 [0,0,0,1,0,0|2,0,0]=3 164 B11R2.20 C1=CC2=C(C=C1)COCC2 C39527 [0,0,0,1,0,0|3,0,0]=4 165 B11R2.20 C1=CC2=C(C=C1)NCCC2 T37825 [0,0,0,1,0,0|3,0,0]=4 166 B11R2.20 C1=CC2=C(C=C1)OCCC2 D66932 [0,0,0,1,0,0|3,0,0]=4 167 B11R2.20 C1=CC2=C(C=N1)CCCC2 T49977 [0,0,0,1,0,0|3,0,0]=4 168 B11R2.20 C1=CC2=C(N=C1)NCCO2 D45987 [0,0,0,1,0,0|3,0,0]=4 169 B11R2.20 C1=CN=C2CCCCC2=C1 T64966 [0,0,0,1,0,0|1,0,0]=2 170 B11R2.20 C1=CN=C2CCCCC2=N1 T39429 [0,0,0,1,0,0|0,0,0]=1 171 B11R2.20 C1=CN=C2CCCNC2=C1 T32362 [0,0,0,1,0,0|2,0,0]=3 172 B11R2.20 C1=CN=C2CCNCC2=C1 T23208 [0,0,0,1,0,0|2,0,0]=3 173 B11R2.20 C1=CN=C2CCNCC2=C1 T4076 [0,0,0,1,0,0|2,0,0]=3 174 B11R2.20 C1=CN=C2CCNCC2=C1 T5331 [0,0,0,1,0,0|2,0,0]=3 175 B11R2.20 C1=CN=C2CNCCC2=C1 T13476 [0,0,0,1,0,0|2,0,0]=3 176 B11R2.20 C1=CN=C2CNCCC2=C1 T18760 [0,0,0,1,0,0|2,0,0]=3 177 B11R2.20 C1=CN=C2CNCCC2=C1 T23221 [0,0,0,1,0,0|2,0,0]=3 178 B11R2.20 C1=CN=C2NCCCC2=C1 T37326 [0,0,0,1,0,0|2,0,0]=3 179 B11R2.20 C1=CN=C2NCCNC2=C1 T46338 [0,0,0,1,0,0|3,0,0]=4 180 B11R2.20 C1=CN=C2OCCNC2=C1 D13943 [0,0,0,1,0,0|3,0,0]=4 181 B11R2.20 C1=CN=C2OCCOC2=C1 D32153 [0,0,0,1,0,0|3,0,0]=4 182 B11R2.20 C1=NC=C2CCNCC2=N1 T11295 [0,0,0,1,0,0|3,0,0]=4 183 B11R2.20 C1=NC=C2CNCCC2=N1 T11293 [0,0,0,1,0,0|3,0,0]=4 184 B11R2.20 C1=NC=C2CNCCC2=N1 T1801 [0,0,0,1,0,0|3,0,0]=4 185 B11R2.20 C1=NC=C2CNCCC2=N1 T5337 [0,0,0,1,0,0|3,0,0]=4 186 B9R1.14 CCN1C=CN=C1C=O E43212 [0,0,0,0,1,0|2,0,1]=4 187 B8R1.2 BrCC1=CN=CC=C1 B23879 [2,0,0,0,0,0|2,0,0]=4 188 B8R1.2 BrCC1=NC=CC=C1 B42841 [2,0,0,0,0,0|2,0,0]=4 189 B8R1.2 BrCC1=NC=CN=C1 B36766 [2,0,0,0,0,0|1,0,0]=3 190 B8R1.2 C#CC1=NC=CN=C1 E14588 [2,0,0,0,0,0|0,0,2]=4 191 B8R1.2 CCC1=NC=CN=C1 E43180 [2,0,0,0,0,0|0,0,0]=2 192 B8R1.2 CNC1=CC=CN=C1 M38086 [2,0,0,0,0,0|2,0,0]=4 193 B8R1.2 CNC1=NC=CN=C1 M41140 [2,0,0,0,0,0|1,0,0]=3 194 B8R1.2 COC1=CN=CC=C1 M67978 [2,0,0,0,0,0|2,0,0]=4 195 B8R1.2 COC1=NC=CC=C1 M39277 [2,0,0,0,0,0|2,0,0]=4 196 B8R1.2 COC1=NC=CN=C1 M2768 [2,0,0,0,0,0|1,0,0]=3 197 B8R1.2 CSC1=NN=CC=N1 M5642 [2,0,0,0,0,0|2,0,0]=4 198 B8R1.2 ClCC1=NC=CC=C1 C67870 [2,0,0,0,0,0|2,0,0]=4 199 B8R1.2 ClCC1=NC=CN=C1 C0149 [2,0,0,0,0,0|1,0,0]=3 200 B8R1.2 N#CC1=NC=CN=C1 C68117 [2,0,0,0,0,0|1,0,1]=4 201 B8R1.2 NCC1=CC=CN=C1 A69257 [2,0,0,0,0,0|2,0,0]=4 202 B8R1.2 NCC1=NC=CN=C1 P0029 [2,0,0,0,0,0|1,0,0]=3 203 B8R1.2 NCC1=NC=CN=C1 P4303 [2,0,0,0,0,0|1,0,0]=3 204 B8R1.2 NNC1=NC=CN=C1 H0220 [2,0,0,0,0,0|2,0,0]=4 205 B8R1.2 O=CC1=NC=CN=C1 P0148 [2,0,0,0,0,0|1,0,1]=4 206 B8R1.2 OCC1=CN=CC=C1 P15946 [2,0,0,0,0,0|2,0,0]=4 207 B8R1.2 OCC1=NC=CC=C1 P69303 [2,0,0,0,0,0|2,0,0]=4 208 B8R1.2 OCC1=NC=CN=C1 P0147 [2,0,0,0,0,0|1,0,0]=3 209 B8R1.5 BrC1=NC=CN=C1Br D39975 [2,0,0,0,0,0|2,0,0]=4 210 B8R1.5 CC1=C(Br)C=CC=N1 B10407 [2,0,0,0,0,0|2,0,0]=4 211 B8R1.5 CC1=C(Cl)C=CC=N1 C42843 [2,0,0,0,0,0|2,0,0]=4 212 B8R1.5 CC1=C(F)C=CC=N1 F69193 [2,0,0,0,0,0|2,0,0]=4 213 B8R1.5 CC1=C(O)C=CC=N1 H10468 [2,0,0,0,0,0|2,0,0]=4 214 B8R1.5 CC1=CC=CN=C1Br B13771 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.5 CC1=CC=CN=C1C L68373 [2,0,0,0,0,0|1,0,0]=3 216 B8R1.5 CC1=CC=CN=C1Cl C21969 [2,0,0,0,0,0|2,0,0]=4 217 B8R1.5 CC1=CC=CN=C1F F42847 [2,0,0,0,0,0|2,0,0]=4 218 B8R1.5 CC1=CC=CN=C1N M20541 [2,0,0,0,0,0|2,0,0]=4 219 B8R1.5 CC1=NC=CN=C1Br B14599 [2,0,0,0,0,0|1,0,0]=3 220 B8R1.5 CC1=NC=CN=C1Cl C14608 [2,0,0,0,0,0|1,0,0]=3 221 B8R1.5 CC1=NC=CN=C1I I14601 [2,0,0,0,0,0|1,0,0]=3 222 B8R1.5 CC1=NC=CN=C1N A14593 [2,0,0,0,0,0|1,0,0]=3 223 B8R1.5 CC1=NC=CN=C1O H14600 [2,0,0,0,0,0|1,0,0]=3 224 B8R1.5 ClC1=NC=CN=C1Br B37498 [2,0,0,0,0,0|2,0,0]=4 225 B8R1.5 ClC1=NC=CN=C1Cl D7674 [2,0,0,0,0,0|2,0,0]=4 226 B8R1.5 ClC1=NC=CN=C1I C39981 [2,0,0,0,0,0|2,0,0]=4 227 B8R1.5 FC1=NC=CN=C1I F6274 [2,0,0,0,0,0|2,0,0]=4 228 B8R1.5 NC1=NC=CN=C1Br A38037 [2,0,0,0,0,0|2,0,0]=4 229 B8R1.5 NC1=NC=CN=C1Cl A5117 [2,0,0,0,0,0|2,0,0]=4 230 B8R1.5 NC1=NC=CN=C1N D14607 [2,0,0,0,0,0|2,0,0]=4 231 B8R1.5 OC1=NC=CN=C1Br B40038 [2,0,0,0,0,0|2,0,0]=4 232 B8R1.5 OC1=NC=CN=C1O P40073 [2,0,0,0,0,0|2,0,0]=4 233 B10R1.2 COC1=NC=CC(Br)=C1C B46170 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.4 CCNC1=NC=CN=C1N E63353 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.4 CCOC1=C(I)C=CC=N1 E46225 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.4 CCOC1=NC=CN=C1Br B43051 [1,1,0,0,0,0|1,0,0]=3 238 B10R1.4 CCOC1=NC=CN=C1N A36915 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.4 CNCC1=C(F)C=CC=N1 F14667 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.4 N#CCC1=NC=CN=C1Cl C11546 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.4 NCCC1=C(Br)C=CC=N1 B14102 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.25 CC1=C(CO)C=CC(F)=N1 F46222 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.25 CC1=CC(Br)=CN=C1CN B46293 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.25 CC1=CN=C(CCl)C(C)=C1 C38639 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.25 CC1=CN=C(CO)C(C)=C1 D46914 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.25 CC1=NC(C)=C(CO)C=C1 D64003 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.25 CCC1=NC=C(Br)C=C1N A11260 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.25 CCC1=NC=C(Cl)N=C1Cl D42741 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.25 COC1=C(C)N=C(Br)C=C1 B46175 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.25 COC1=NC=C(Br)C=C1C B46172 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.25 COC1=NC=C(F)C=C1C F46221 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.25 COC1=NC=C(N)C=C1C M43642 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.25 CSC1=NC=C(Cl)N=C1Cl D20240 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.25 NCC1=NC=C(Cl)N=C1Cl D62358 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.30 CC1=CN=C(C)C(C#N)=N1 D45730 [1,1,0,0,0,0|1,0,1]=4 257 B10R1.30 COC1=C(Cl)N=CC(Br)=N1 B9928 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.30 COC1=C(N)N=CC(Br)=N1 B9924 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.30 COC1=C(N)N=CC(Cl)=N1 C63041 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.30 COC1=CC(Br)=CN=C1C B16799 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.30 COC1=NC(Br)=CN=C1Br D9925 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.30 COC1=NC(Br)=CN=C1I B9892 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.30 COC1=NC(C)=CN=C1N M26266 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.30 COC1=NC(N)=CN=C1Br B41091 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.30 NC1=C(CO)N=C(Br)C=N1 A37107 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.61 CC(=O)C1=C(C)N=CC=C1 M21788 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.61 CC(=O)C1=NC=CN=C1C M45981 [1,1,0,0,0,0|0,0,1]=3 268 B10R1.61 CC(=O)C1=NC=CN=C1Cl A11547 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.61 CC(=O)C1=NC=CN=C1N A14612 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.61 CC(C)C1=CC=CN=C1Br B32081 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.61 CC(C)C1=CC=CN=C1Cl C36678 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.61 CC(C)C1=NC=CC=C1N P46959 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 T52160 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 T52162 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.61 CC1=NC=CN=C1C(=O)O M7738 [1,1,0,0,0,0|1,0,1]=4 276 B10R1.61 CN(C)C1=NC=CN=C1Cl C43272 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.61 CN(C)C1=NC=CN=C1N A41445 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.61 C[C@H](O)C1=C(Br)C=CC=N1 B37274 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 A65242 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.61 C[C@H](O)C1=CC=CN=C1Cl C46191 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.245 COC1=C(Cl)C=CN=C1C C11879 [1,1,0,0,0,0|2,0,0]=4 282 B12R1.112 CCOC1=NC=C(Br)C=C1OC B46774 [0,2,0,0,0,0|2,0,0]=4 283 B12R1.77 CC[C@H](C)C1=NC=CN=C1OC B50399 [0,2,0,0,0,0|1,0,0]=3 284 B10R2.7 C1=CN=C2CCCC2=C1 C67437 [1,0,0,1,0,0|1,0,0]=3 285 B10R2.7 C1=CN=C2CNCC2=C1 D12180 [1,0,0,1,0,0|2,0,0]=4 286 B10R2.7 C1=CN=C2CNCC2=C1 D3602 [1,0,0,1,0,0|2,0,0]=4 287 B10R2.7 C1=CN=C2NCCC2=C1 D0150 [1,0,0,1,0,0|2,0,0]=4 288 B10R2.7 C1=CN=C2NCCC2=C1 D65478 [1,0,0,1,0,0|2,0,0]=4 289 B10R2.32 O[C@H]1CCN2C=CN=C12 P60959 [0,0,0,1,1,0|2,0,0]=4 290 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 B52500 [0,1,0,1,0,0|2,0,0]=4 291 B12R2.24 BrC1=CN=C2CCCCC2=C1 B63820 [0,1,0,1,0,0|1,0,0]=3 292 B12R2.24 BrC1=CN=C2CCNCC2=C1 B4035 [0,1,0,1,0,0|2,0,0]=4 293 B12R2.24 BrC1=CN=C2CCNCC2=C1 B5101 [0,1,0,1,0,0|2,0,0]=4 294 B12R2.24 BrC1=CN=C2CNCCC2=C1 B14777 [0,1,0,1,0,0|2,0,0]=4 295 B12R2.24 BrC1=CN=C2CNCCC2=C1 B31695 [0,1,0,1,0,0|2,0,0]=4 296 B12R2.24 BrC1=NC2=C(C=C1)NCCC2 B37353 [0,1,0,1,0,0|2,0,0]=4 297 B12R2.24 CC1=CC2=C(C=C1)CCCC2 M54692 [0,1,0,1,0,0|2,0,0]=4 298 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [0,1,0,1,0,0|2,0,0]=4 299 B12R2.24 ClC1=NC2=C(C=C1)CCCC2 C36781 [0,1,0,1,0,0|1,0,0]=3 300 B12R2.24 ClC1=NC2=C(C=C1)CCCN2 C49173 [0,1,0,1,0,0|2,0,0]=4 301 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 C4158 [0,1,0,1,0,0|2,0,0]=4 302 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 C49172 [0,1,0,1,0,0|2,0,0]=4 303 B12R2.24 NC1=CN=C2CCNCC2=C1 T49518 [0,1,0,1,0,0|2,0,0]=4 304 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 T52882 [0,1,0,1,0,0|2,0,0]=4 305 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T52883 [0,1,0,1,0,0|2,0,0]=4 306 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T54140 [0,1,0,1,0,0|2,0,0]=4 307 B12R2.24 N[C@H]1CCC2=CC=CN=C2C1 T37224 [0,1,0,1,0,0|1,0,0]=3 308 B12R2.24 O=C1C=C2CCCCC2=NN1 T62163 [0,1,0,1,0,0|2,0,0]=4 309 B12R2.24 OC1=CC2=C(C=C1)CCCC2 T37096 [0,1,0,1,0,0|2,0,0]=4 310 B12R2.24 OC1=CN=C2CCCCC2=C1 T38906 [0,1,0,1,0,0|1,0,0]=3 311 B12R2.24 OC1=CN=C2CCNCC2=C1 T4034 [0,1,0,1,0,0|2,0,0]=4 312 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 T38300 [0,1,0,1,0,0|2,0,0]=4 313 B12R2.1081 BrC1=C2CCCCC2=CC=C1 B4845 [0,1,0,1,0,0|2,0,0]=4 314 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M54143 [0,1,0,1,0,0|2,0,0]=4 315 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M67524 [0,1,0,1,0,0|2,0,0]=4 316 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M52878 [0,1,0,1,0,0|2,0,0]=4 317 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M54141 [0,1,0,1,0,0|2,0,0]=4 318 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 M54144 [0,1,0,1,0,0|2,0,0]=4 319 B12R2.1081 ClC1=C2CCCCC2=NC=C1 C49771 [0,1,0,1,0,0|1,0,0]=3 320 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 T22529 [0,1,0,1,0,0|2,0,0]=4 321 B12R2.1081 N[C@@H]1CCCC2=CC=CN=C21 T66114 [0,1,0,1,0,0|1,0,0]=3 322 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 T22530 [0,1,0,1,0,0|2,0,0]=4 323 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 D66113 [0,1,0,1,0,0|1,0,0]=3 324 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 T52250 [0,1,0,1,0,0|1,0,0]=3 325 B12R2.1081 N[C@H]1CCCC2=NC=CC=C21 A12037 [0,1,0,1,0,0|1,0,0]=3 326 B12R2.1081 O=C1CCCC2=C1C=CC=N2 D0654 [0,1,0,1,0,0|1,0,1]=4 327 B12R2.1081 O=C1CCCC2=CC=CN=C12 D51765 [0,1,0,1,0,0|1,0,1]=4 328 B12R2.1081 OC1=C2CCCCC2=NC=C1 T63204 [0,1,0,1,0,0|1,0,0]=3 329 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T67609 [0,1,0,1,0,0|2,0,0]=4 330 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 T50023 [0,1,0,1,0,0|1,0,0]=3 331 B12R2.2403 CC1(C)CNC2=NC=CC=C21 D20524 [0,1,0,1,0,0|2,0,0]=4 332 B12R2.196 O[C@H]1CCC2=C(Cl)C=CN=C21 C49044 [0,1,0,1,0,0|2,0,0]=4 333 B8R1.11 CC1=C(CCl)NC=N1 C2452 [1,0,0,0,1,0|1,0,1]=4 334 B8R1.11 CC1=C(CO)NC=N1 H2822 [1,0,0,0,1,0|1,0,1]=4 335 B8R1.11 CC1=CNN=C1CO M63844 [1,0,0,0,1,0|2,0,0]=4 336 B8R1.11 CC1=NON=C1CN M61342 [1,0,0,0,1,0|2,0,0]=4 337 B8R1.11 CCC1=NC=CN1C E46632 [1,0,0,0,1,0|1,0,0]=3 338 B8R1.11 CCN1C=CN=C1C E63017 [1,0,0,0,1,0|1,0,0]=3 339 B8R1.11 CCN1N=CC=C1N E10472 [1,0,0,0,1,0|2,0,0]=4 340 B8R1.11 CN1C=CN=C1CCl C41129 [1,0,0,0,1,0|2,0,0]=4 341 B8R1.11 CN1C=CN=C1CCl C41132 [1,0,0,0,1,0|2,0,0]=4 342 B8R1.11 CN1C=CN=C1CN A13925 [1,0,0,0,1,0|2,0,0]=4 343 B8R1.11 CN1C=CN=C1CO M41198 [1,0,0,0,1,0|2,0,0]=4 344 B8R1.11 CN1N=CC=C1CCl C41130 [1,0,0,0,1,0|2,0,0]=4 345 B8R1.11 CN1N=CC=C1CN M9954 [1,0,0,0,1,0|2,0,0]=4 346 B8R1.11 CSC1=C(C)OC=C1 M43319 [1,0,0,0,1,0|2,0,0]=4