0 B9R1.1 BC1=CC=C(OC)C=C1 F10893 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.1 C=CC1=CC=C(Cl)C=C1 W15543 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.1 CC1=CC=C(CS)C=C1 D91373 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.1 CC1=CC=C(NN)C=C1 W10666 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.1 CCC1=CC=C(S)C=C1 H11883 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.1 CCC1=CN=C(C)C=C1 D88165 [0,0,0,0,0,0|0,0,0]=0 6 B9R1.1 CNC1=CN=C(Br)C=N1 N10144 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.1 CSC1=CC=C(C)C=C1 D91411 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.1 FC1=CC=C(CS)C=C1 AT13678 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.1 N#CC1=CN=C(I)C=C1 D74464 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.1 NCC1=CC=C(F)C=C1 D90701 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.1 NCC1=CC=C(O)C=C1 A10196 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.1 NNC1=CC=C(Cl)C=C1 O10106 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.1 NNC1=NN=C(Cl)C=C1 82701 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.1 NNC1=NN=C(Cl)C=C1 O10987 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.1 O=CC1=CN=C(O)C=C1 BL005396 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.1 SCC1=CC=C(Br)C=C1 A12220 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.2 BrCC1=NC=CC=C1 D87709 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.2 C#CC1=CC=CC=C1 D90456 [1,0,0,0,0,0|1,0,2]=4 19 B8R1.2 CCC1=CC=CN=C1 D87724 [1,0,0,0,0,0|0,0,0]=1 20 B8R1.2 CCC1=CC=NC=C1 D90449 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.2 CCC1=NC=CC=C1 AT23190 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.2 COC1=CCC=CC1 78369 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.2 ClCC1=CC=NC=C1 D88171 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.2 ClCC1=CN=CN=C1 P10951 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.2 ICC1=CN=CC=C1 AC6646 [1,0,0,0,0,0|1,0,0]=2 26 B8R1.2 NCC1=CC=CC=C1 T70936 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.2 NCC1=CN=CN=C1 P15266 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.2 NNC1=CC=CC=C1 D91920 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.3 BrC1=NN=C(Br)C=C1 D92808 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.3 CC1=NN=C(O)C=C1 P10046 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.3 IC1=CN=C(I)C=C1 I10255 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.3 NC1=CC=C(F)C=C1 D78529 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.3 NC1=CC=C(N)C=C1 D92210 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.3 NC1=CN=C(I)C=C1 C15518 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.3 NC1=CN=C(N)C=C1 A10321 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.3 NC1=CN=C(N)C=C1 O12059 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.3 NC1=CN=C(O)C=C1 A11653 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.3 NC1=NC=C(O)C=C1 F16234 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.3 NC1=NN=C(I)C=C1 W11951 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.3 OC1=CN=C(O)C=C1 O12060 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.3 OC1=NC=C(Cl)C=N1 36730 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.3 OC1=NN=C(Cl)C=C1 37462 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.1 C=CCC1=CC=C(C)C=C1 D76863 [0,1,0,0,0,0|1,0,1]=3 44 B10R1.1 CC1=CC=C(SCCl)C=C1 T70798 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.1 CCCC1=CC=C(C)C=C1 D92007 [0,1,0,0,0,0|1,0,0]=2 46 B10R1.1 CCNC1=CC=C(C)C=C1 D90452 [0,1,0,0,0,0|1,0,0]=2 47 B10R1.1 CCNC1=NC=C(Br)C=C1 97201 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.1 CCOC1=CC=C(Cl)C=C1 D89219 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.1 CCOC1=CC=C(S)C=C1 AT20902 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.1 CCOC1=NC=C(F)C=C1 D74953 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.1 CCOC1=NC=C(N)C=C1 O11589 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.1 CNCC1=CC=C(F)C=C1 26027 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.1 FC1=CC=C(CCCl)C=C1 D90675 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.1 NCCC1=CC=C(F)C=C1 D90699 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.1 NCCC1=CC=C(F)C=C1 D90702 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.1 NNCC1=CC=C(Br)C=C1 P10525 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.1 NNCC1=CC=C(Cl)C=C1 D86183 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.1 NNCC1=CC=C(F)C=C1 P10415 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.3 C=CC1=CC=C(CN)C=C1 CK2398 [0,1,0,0,0,0|1,0,2]=4 60 B10R1.3 CCC1=CC=C(CC)C=C1 D88164 [0,1,0,0,0,0|1,0,0]=2 61 B10R1.3 CCC1=NC=C(C=O)C=N1 81904 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.3 CSC1=CC=C(CBr)C=C1 79951 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.3 CSC1=CC=C(CN)C=C1 AT20993 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.13 C=C(C)C1=CC=C(Br)C=C1 AC1305 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 N12036 [0,1,0,0,0,0|1,0,0]=2 66 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 D97156 [0,1,0,0,0,0|1,0,0]=2 67 B10R1.13 CC1=CC=C([S@](=O)O)C=C1 F21290 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.13 CC1=CC[C@@H](C(C)C)C=C1 D91275 [0,1,0,0,0,0|1,0,2]=4 69 B10R1.13 CC1=CN=C(C(=N)N)C=N1 S11023 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.13 CC1=NC=C(B(O)O)C=C1 T72065 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.13 CN(C)C1=CC=C(N)C=C1 D89717 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.13 C[C@H](Cl)C1=CC=C(Br)C=C1 W15990 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 61144 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 N11998 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10878 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.13 C[S+](C)C1=CC=C(O)C=C1 D90991 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.13 O=C(O)C1=CN=C(S)C=C1 N12019 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.13 O=[N+]([O-])C1=CN=C(S)C=C1 AT20605 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.25 CC1=CC(Br)=C(NN)C=C1 H11426 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.25 CC1=CC(C)=C(NN)C=C1 S11306 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.25 CC1=CC(F)=NC=C1C=O C14505 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.25 CCC1=C(C)C=C(C)C=C1 T73021 [0,1,0,0,0,0|1,0,0]=2 83 B10R1.25 CNC1=C(F)C=C(F)C=C1 F11384 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.25 COC1=C(Br)C=C(N)C=C1 C13363 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.25 COC1=C(Cl)C=C(N)C=C1 CL8418 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.25 COC1=C(Cl)C=C(O)C=C1 D82682 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.25 COC1=C(N)C=C(N)C=C1 E10142 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.25 COC1=C(O)N=C(O)N=C1 L10025 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.25 COC1=CC=C(N)N=C1Br S12142 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.25 ClC1=CC(Br)=C(CBr)C=C1 N10597 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.25 NC1=CC(Cl)=C(CO)C=C1 A50711 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.25 OCC1=C(Cl)C=C(Br)C=C1 93736 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.25 OCC1=C(O)N=C(O)N=C1 P16594 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.176 CCC1=CC(O)=C(N)C=C1 D82162 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.176 CN1C=CC(CN)=CC1=O P11874 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.176 COC1=CC(Br)=C(N)C=C1 F20764 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.176 COC1=CC(F)=C(N)C=C1 75541 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.176 COC1=CC(I)=C(N)C=C1 D87380 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.176 COC1=CN=C(Br)C(Br)=C1 D80055 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.176 CSC1=CC(F)=C(Br)C=C1 A10661 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.176 ClC1=C(Br)C=C(CBr)C=C1 D95462 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.176 ClCC1=CC(Cl)=C(Cl)C=C1 75667 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.176 NCC1=CC(F)=C(Cl)C=C1 N12136 [0,1,0,0,0,0|3,0,0]=4 104 B8R0.11 CCC\C=C(\C=O)CC D90438 [0,0,1,0,0,0|1,0,2]=4 105 B8R1.1 CC1=CSC(C#N)=C1 F19686 [0,0,0,0,1,0|2,0,1]=4 106 B8R1.1 CC1=NC(CN)=CS1 AT14767 [0,0,0,0,1,0|2,0,0]=3 107 B8R1.1 CC1=NC(CN)=CS1 F16719 [0,0,0,0,1,0|2,0,0]=3 108 B8R1.1 CC1=NC(CN)=NO1 C15963 [0,0,0,0,1,0|3,0,0]=4 109 B8R1.1 CC1=NC=C(C=O)N1 W10346 [0,0,0,0,1,0|2,0,1]=4 110 B8R1.1 CC1=NN=C(CN)O1 AT18773 [0,0,0,0,1,0|3,0,0]=4 111 B8R1.1 CC1=NN=C(CN)O1 C14456 [0,0,0,0,1,0|3,0,0]=4 112 B8R1.1 CCC1=CC(N)=NN1 78395 [0,0,0,0,1,0|2,0,0]=3 113 B8R1.1 CCC1=NOC(N)=N1 F52122 [0,0,0,0,1,0|3,0,0]=4 114 B8R1.1 CCN1C=CC(I)=N1 C91456 [0,0,0,0,1,0|2,0,0]=3 115 B8R1.1 CCN1C=C[N+](C)=C1 D90554 [0,0,0,0,1,0|2,0,0]=3 116 B8R1.1 CCN1C=C[N+](C)=C1 D90565 [0,0,0,0,1,0|2,0,0]=3 117 B8R1.1 CCN1C=C[N+](C)=C1 D90610 [0,0,0,0,1,0|2,0,0]=3 118 B8R1.1 CC[C@H]1CSC(C)=N1 D91374 [0,0,0,0,1,0|1,0,2]=4 119 B8R1.1 CC[N+]1=CN(C)C=C1 AC8080 [0,0,0,0,1,0|2,0,0]=3 120 B8R1.1 CN1C=C(NN)C=N1 E72536 [0,0,0,0,1,0|3,0,0]=4 121 B8R1.1 CN1C=CC(C#N)=C1 AT16312 [0,0,0,0,1,0|2,0,1]=4 122 B8R1.1 OCC1=CC=C(Br)O1 36295 [0,0,0,0,1,0|3,0,0]=4 123 B7R0.3 CCO\C=C(/C)C=O F11738 [1,0,1,0,0,0|2,0,0]=4 124 B7R0.4 C\C=C\C=C\C(C)=O D90780 [1,0,1,0,0,0|1,0,1]=4 125 B7R0.6 C=C(C)CCC(=C)C D89711 [1,0,1,0,0,0|1,0,1]=4 126 B7R1.3 BrC1=NN=CC=C1 20205 [2,0,0,0,0,0|2,0,0]=4 127 B7R1.3 CC1=CCC=CC1 D91336 [2,0,0,0,0,0|1,0,1]=4 128 B7R1.3 C[N+]1=CC=CC=C1 D91621 [2,0,0,0,0,0|2,0,0]=4 129 B7R1.3 ClC1=NC=NC=C1 C90125 [2,0,0,0,0,0|2,0,0]=4 130 B7R1.3 NC1=CC=CN=N1 52242 [2,0,0,0,0,0|2,0,0]=4 131 B7R1.3 NC1=NC=NC=C1 52254 [2,0,0,0,0,0|2,0,0]=4 132 B7R1.3 [Mg+]C1=CC=CC=C1 F20531 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.2 CC1=CC=CC(CS)=C1 AT13701 [1,1,0,0,0,0|2,0,0]=4 134 B9R1.2 COC1=CC(I)=CN=C1 D77741 [1,1,0,0,0,0|1,0,0]=3 135 B9R1.2 COC1=CC(N)=CC=C1 D88266 [1,1,0,0,0,0|2,0,0]=4 136 B9R1.2 COC1=C[N+]([O-])=CC=C1 D87988 [1,1,0,0,0,0|1,0,1]=4 137 B9R1.2 CSC1=CC(Br)=CN=C1 71759 [1,1,0,0,0,0|1,0,0]=3 138 B9R1.2 FC1=CC=CC(CS)=C1 AT13684 [1,1,0,0,0,0|2,0,0]=4 139 B9R1.2 NCC1=CC=C[N+]([O-])=C1 52093 [1,1,0,0,0,0|1,0,1]=4 140 B9R1.2 NNC1=CC(F)=CN=C1 D86941 [1,1,0,0,0,0|2,0,0]=4 141 B9R1.2 OC1=CC=CC(CCl)=C1 D84184 [1,1,0,0,0,0|2,0,0]=4 142 B9R1.6 CN(C)C1=CC=CC=C1 D95371 [1,1,0,0,0,0|2,0,0]=4 143 B9R1.6 CN(C)C1=CC=CN=C1 N12098 [1,1,0,0,0,0|1,0,0]=3 144 B9R1.6 CN(N)C1=CC=CC=C1 Y14873 [1,1,0,0,0,0|2,0,0]=4 145 B9R1.6 CP(C)C1=CC=CC=C1 D90262 [1,1,0,0,0,0|2,0,0]=4 146 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 A10187 [1,1,0,0,0,0|1,0,0]=3 147 B9R1.6 C[C@H](N)C1=NC=CC=C1 90515 [1,1,0,0,0,0|2,0,0]=4 148 B9R1.8 CCOC1=CN=NC=C1 C16860 [1,1,0,0,0,0|1,0,0]=3 149 B9R1.8 CNCC1=NC=CN=C1 P10399 [1,1,0,0,0,0|1,0,0]=3 150 B9R1.8 CSCC1=CC=CC=C1 D88728 [1,1,0,0,0,0|1,0,0]=3 151 B9R1.8 CSCC1=CN=CC=C1 E72352 [1,1,0,0,0,0|0,0,0]=2 152 B9R1.8 C\C=C/C1=CC=CC=C1 D91456 [1,1,0,0,0,0|1,0,1]=4 153 B9R1.8 C\C=C\C1=CC=CC=C1 H10852 [1,1,0,0,0,0|1,0,1]=4 154 B9R1.8 ClCCC1=NC=CC=C1 D83590 [1,1,0,0,0,0|2,0,0]=4 155 B9R1.15 CC1=C(CCl)C=CC=C1 22011 [1,1,0,0,0,0|2,0,0]=4 156 B9R1.15 CC1=C(CS)C=CC=C1 AT13699 [1,1,0,0,0,0|2,0,0]=4 157 B9R1.15 CCC1=C(N)C=CC=C1 CK1167 [1,1,0,0,0,0|1,0,0]=3 158 B9R1.15 CCC1=C([S-])C=CC=C1 D90553 [1,1,0,0,0,0|1,0,0]=3 159 B9R1.15 CC[N+]1=C(C)C=CC=C1 D90603 [1,1,0,0,0,0|2,0,0]=4 160 B9R1.15 COC1=CC=CN=C1I D73279 [1,1,0,0,0,0|1,0,0]=3 161 B9R1.15 COC1=NC=CN=C1I H10462 [1,1,0,0,0,0|2,0,0]=4 162 B9R1.15 CSC1=C(F)C=CC=C1 D90680 [1,1,0,0,0,0|2,0,0]=4 163 B9R1.15 ClC1=C(CBr)C=CC=N1 A10611 [1,1,0,0,0,0|1,0,0]=3 164 B9R1.15 ClCC1=C(Br)C=CC=C1 H11765 [1,1,0,0,0,0|2,0,0]=4 165 B9R1.15 FC1=C(CS)C=CC=C1 AT13683 [1,1,0,0,0,0|2,0,0]=4 166 B9R1.15 N#CC1=CC=CN=C1I C15856 [1,1,0,0,0,0|1,0,1]=4 167 B9R1.15 N#CC1=CC=CN=C1S 93688 [1,1,0,0,0,0|1,0,1]=4 168 B9R1.15 NCC1=C(O)C=CC=C1 O10497 [1,1,0,0,0,0|2,0,0]=4 169 B9R1.69 CC1=C(Br)C=C(Cl)C=N1 P11506 [1,1,0,0,0,0|1,0,0]=3 170 B9R1.69 CC1=C(C)C=C([S-])C=C1 D90179 [1,1,0,0,0,0|2,0,0]=4 171 B9R1.69 CC1=C(Cl)C=NC(F)=C1 N12163 [1,1,0,0,0,0|2,0,0]=4 172 B9R1.69 CC1=C(I)C=CC(Br)=N1 I11230 [1,1,0,0,0,0|2,0,0]=4 173 B9R1.69 CC1=CC(Cl)=C(Cl)C=C1 36893 [1,1,0,0,0,0|2,0,0]=4 174 B9R1.69 CC1=CC=C(F)C(F)=N1 22779 [1,1,0,0,0,0|1,0,0]=3 175 B9R1.69 CC1=CC=C(N)C(F)=N1 F14968 [1,1,0,0,0,0|1,0,0]=3 176 B9R1.69 CC1=CC=C(N)C(N)=N1 E71848 [1,1,0,0,0,0|1,0,0]=3 177 B9R1.69 CC1=CN=C(Br)C(C)=N1 D94813 [1,1,0,0,0,0|2,0,0]=4 178 B9R1.69 CC1=CN=C(F)C(C)=C1 D84290 [1,1,0,0,0,0|1,0,0]=3 179 B9R1.69 CC1=CN=C(O)C(N)=C1 29625 [1,1,0,0,0,0|1,0,0]=3 180 B9R1.69 CC1=NC(Cl)=C(I)C=C1 D87031 [1,1,0,0,0,0|1,0,0]=3 181 B9R1.69 CC1=[N+]([O-])C=C(Cl)C=C1 AC8254 [1,1,0,0,0,0|1,0,1]=4 182 B9R1.69 FC1=C(Cl)C=CC(Br)=N1 C90146 [1,1,0,0,0,0|2,0,0]=4 183 B9R1.69 NC1=CC(Br)=CN=C1N P10790 [1,1,0,0,0,0|2,0,0]=4 184 B9R1.69 NC1=CC(I)=C(Cl)N=C1 N10124 [1,1,0,0,0,0|2,0,0]=4 185 B9R1.69 OC1=C(I)C=C(Br)C=N1 87128 [1,1,0,0,0,0|2,0,0]=4 186 B9R1.7 CC1=CSC(CC#N)=N1 AT15789 [0,1,0,0,1,0|1,0,1]=4 187 B9R1.7 CC1=NC(CCO)=CS1 AC3211 [0,1,0,0,1,0|1,0,0]=3 188 B9R1.7 CCOC1=NNC(C)=C1 AT21779 [0,1,0,0,1,0|1,0,1]=4 189 B9R1.7 CCOC1=NNC(C)=C1 AT21780 [0,1,0,0,1,0|1,0,1]=4 190 B9R1.7 CN1C=C(CCO)C=N1 AT16109 [0,1,0,0,1,0|1,0,0]=3 191 B9R1.7 OCCC1=CC(Br)=NO1 AT19717 [0,1,0,0,1,0|2,0,0]=4 192 B9R1.21 CCC1=CC=C(C=O)O1 F14735 [0,1,0,0,1,0|1,0,1]=4 193 B9R1.21 CCC1=NC(CCl)=NN1 AT12167 [0,1,0,0,1,0|2,0,0]=4 194 B9R1.21 CCC1=NOC(CCl)=N1 70900 [0,1,0,0,1,0|2,0,0]=4 195 B9R1.21 CCN1C=CC(CCl)=N1 AT15934 [0,1,0,0,1,0|1,0,0]=3 196 B9R1.21 CCN1C=CC(CCl)=N1 AT24105 [0,1,0,0,1,0|1,0,0]=3 197 B9R1.22 CC1=CC(C)=NN1CO D90013 [0,1,0,0,1,0|2,0,0]=4 198 B9R1.22 CC1=CC(CO)=C(C)O1 H10999 [0,1,0,0,1,0|2,0,0]=4 199 B9R1.22 CC1=NC(C)=C(CCl)S1 AT15039 [0,1,0,0,1,0|2,0,0]=4 200 B9R1.22 CC1=NC(C)=C(CO)O1 33335 [0,1,0,0,1,0|2,0,0]=4 201 B9R1.22 CC1=NN(C)C=C1CN AT13898 [0,1,0,0,1,0|2,0,0]=4 202 B9R1.22 CCN1N=C(C)C=C1C C15108 [0,1,0,0,1,0|1,0,0]=3 203 B9R1.23 CCC1=NC(C)=C(C)S1 D90557 [0,1,0,0,1,0|1,0,0]=3 204 B9R1.35 CC(C)C1=NC(Br)=CS1 S11446 [0,1,0,0,1,0|2,0,0]=4 205 B9R1.35 CC1=NC([C@H](C)N)=CS1 N12487 [0,1,0,0,1,0|1,0,0]=3 206 B9R1.132 CC1=C(C)C(CO)=CS1 AT16770 [0,1,0,0,1,0|2,0,0]=4 207 B9R1.132 CC1=C(CO)C=NN1C AT14444 [0,1,0,0,1,0|2,0,0]=4 208 B9R1.132 CC1=CC=C(CN)N1C AT16165 [0,1,0,0,1,0|1,0,1]=4 209 B9R1.132 CCN1C=C[N+](C)=C1C AC9220 [0,1,0,0,1,0|2,0,0]=4 210 B11R1.1 C#CCOC1=CC=C(C)C=C1 C78308 [0,2,0,0,0,0|1,0,1]=4 211 B11R1.1 C=CCOC1=CC=C(C)C=C1 H10881 [0,2,0,0,0,0|1,0,1]=4 212 B11R1.1 CC1=CC=C(C#CCO)C=C1 A50686 [0,2,0,0,0,0|1,0,1]=4 213 B11R1.1 CCCOC1=CC=C(N)C=C1 71058 [0,2,0,0,0,0|2,0,0]=4 214 B11R1.1 CNCCC1=CC=C(Cl)C=C1 29906 [0,2,0,0,0,0|2,0,0]=4 215 B11R1.1 CNCCC1=CC=C(F)C=C1 C15824 [0,2,0,0,0,0|2,0,0]=4 216 B11R1.1 CN\N=N\C1=CC=C(C)C=C1 A12264 [0,2,0,0,0,0|2,0,0]=4 217 B11R1.1 NC1=CC=C(CCCO)C=C1 A50572 [0,2,0,0,0,0|2,0,0]=4 218 B11R1.1 NCCCC1=CC=C(Br)C=C1 C78387 [0,2,0,0,0,0|2,0,0]=4 219 B11R1.1 NCCCC1=CC=C(F)C=C1 C77698 [0,2,0,0,0,0|2,0,0]=4 220 B11R1.1 NCCOC1=CC=C(Br)C=C1 C78109 [0,2,0,0,0,0|2,0,0]=4 221 B11R1.1 NCCOC1=CC=C(I)C=C1 C14896 [0,2,0,0,0,0|2,0,0]=4 222 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 D91021 [0,2,0,0,0,0|2,0,0]=4 223 B11R1.20 CC(=O)NC1=CN=C(Br)C=C1 78670 [0,2,0,0,0,0|1,0,1]=4 224 B11R1.20 CC(C)OC1=CN=C(Br)C=N1 75466 [0,2,0,0,0,0|2,0,0]=4 225 B11R1.20 CC1=CC=C(CC(=O)Cl)C=C1 AC5981 [0,2,0,0,0,0|1,0,1]=4 226 B11R1.20 CC1=CC=C(OC(F)F)C=C1 F20986 [0,2,0,0,0,0|2,0,0]=4 227 B11R1.22 CC1=CC=C(N(C)C=O)C=C1 T70701 [0,2,0,0,0,0|2,0,0]=4 228 B11R1.22 CCN(N)C1=CC=C(C)C=C1 D90542 [0,2,0,0,0,0|1,0,0]=3 229 B11R1.22 CC[C@H](O)C1=CC=C(C)C=C1 N12074 [0,2,0,0,0,0|1,0,0]=3 230 B11R1.22 CC[C@H](O)C1=CC=C(Cl)C=C1 N12135 [0,2,0,0,0,0|2,0,0]=4 231 B11R1.22 CC[C@H](O)C1=CC=C(F)C=C1 N11970 [0,2,0,0,0,0|2,0,0]=4 232 B11R1.22 CN[C@@H](C)C1=CC=C(C)C=C1 N12436 [0,2,0,0,0,0|1,0,0]=3 233 B11R1.22 C[C@H](C#N)C1=CC=C(N)C=C1 C15494 [0,2,0,0,0,0|2,0,0]=4 234 B11R1.22 NC[C@H](O)C1=CC=C(Br)C=C1 79799 [0,2,0,0,0,0|2,0,0]=4 235 B11R1.22 NC[C@H](O)C1=CC=C(Cl)C=C1 AR2879 [0,2,0,0,0,0|2,0,0]=4 236 B11R1.22 OC[C@H](Cl)C1=CC=C(Cl)C=C1 58244 [0,2,0,0,0,0|2,0,0]=4 237 B11R1.22 O[C@@H](CCl)C1=CC=C(F)C=C1 D97158 [0,2,0,0,0,0|2,0,0]=4 238 B11R1.81 CNCC1=C(C)C=C(C)C=C1 C78452 [0,2,0,0,0,0|1,0,0]=3 239 B11R1.81 CNCC1=C(F)C=C(Br)C=C1 N11594 [0,2,0,0,0,0|2,0,0]=4 240 B11R1.81 FC1=CC(F)=C(CCBr)C=C1 C78053 [0,2,0,0,0,0|2,0,0]=4 241 B11R1.83 CCC1=CC=C(CCN)C=C1 C78380 [0,2,0,0,0,0|1,0,0]=3 242 B11R1.83 CCOC1=CC=C(CBr)C=C1 O10318 [0,2,0,0,0,0|1,0,0]=3 243 B11R1.83 COC1=CC=C(CCN)C=C1 30800 [0,2,0,0,0,0|1,0,0]=3 244 B11R1.83 CSC1=CC=C(CC#N)C=C1 W13500 [0,2,0,0,0,0|1,0,1]=4 245 B11R1.192 CNCC1=CC(Cl)=C(Cl)C=C1 74960 [0,2,0,0,0,0|2,0,0]=4 246 B11R1.192 NCCC1=CC(O)=C(O)C=C1 F21485 [0,2,0,0,0,0|2,0,0]=4 247 B11R1.3 CC(C)C1=CC=C(CO)C=C1 D97386 [0,2,0,0,0,0|1,0,0]=3 248 B11R1.3 CN(C)C1=CC=C(CN)C=C1 82875 [0,2,0,0,0,0|2,0,0]=4 249 B11R1.3 CN(C)C1=CC=C(CN)C=C1 C90108 [0,2,0,0,0,0|2,0,0]=4 250 B11R1.3 CN(C)C1=NC=C(CN)C=C1 C90463 [0,2,0,0,0,0|1,0,0]=3 251 B11R1.3 COC1=CC=C([S@](C)=O)C=C1 W16290 [0,2,0,0,0,0|2,0,0]=4 252 B11R1.3 COC1=NC=C(B(O)O)C=C1 AT14954 [0,2,0,0,0,0|2,0,0]=4 253 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 AT20994 [0,2,0,0,0,0|1,0,0]=3 254 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 F16991 [0,2,0,0,0,0|1,0,1]=4 255 B11R1.279 CCC1=C(Cl)C=C(OC)C=C1 75487 [0,2,0,0,0,0|1,0,0]=3 256 B11R1.279 COC1=C(Cl)C=C(CO)C=N1 F50184 [0,2,0,0,0,0|1,0,0]=3 257 B11R1.279 COC1=C(F)C=C(CN)C=C1 CK2402 [0,2,0,0,0,0|2,0,0]=4 258 B11R1.279 COC1=CC(Cl)=C(CN)C=C1 Y11745 [0,2,0,0,0,0|2,0,0]=4 259 B11R1.279 COC1=CC(F)=C(CO)C=C1 98274 [0,2,0,0,0,0|2,0,0]=4 260 B11R1.279 COC1=CC=C(CO)C(Br)=N1 D84308 [0,2,0,0,0,0|1,0,0]=3 261 B11R1.19 CC(C)(F)C1=CN=C(Br)C=C1 AC1550 [0,2,0,0,0,0|1,0,0]=3 262 B11R1.19 CC(F)(F)C1=CN=C(Br)C=C1 D83498 [0,2,0,0,0,0|1,0,0]=3 263 B11R1.19 CC1=CC=C(C(C)(C)O)C=C1 D86508 [0,2,0,0,0,0|1,0,0]=3 264 B11R1.19 CC1=NC=C(C(F)(F)F)C=C1 94420 [0,2,0,0,0,0|1,0,0]=3 265 B11R1.21 CC(=O)C1=NC(C)=C(C)N=C1 D82539 [0,2,0,0,0,0|1,0,1]=4 266 B11R1.166 CC1=CC=C(B(O)O)C(Cl)=N1 FD10157 [0,2,0,0,0,0|2,0,0]=4 267 B11R1.278 CC1=C(F)C(F)=C(CBr)C=C1 N12070 [0,2,0,0,0,0|2,0,0]=4 268 B11R1.278 CC1=CC=C(CN)C(F)=C1F D95679 [0,2,0,0,0,0|2,0,0]=4 269 B11R1.464 CC1=CC(C)=C(C#N)C(O)=N1 W13738 [0,2,0,0,0,0|1,0,1]=4 270 B11R1.464 CC1=CC(C)=C(CN)C(=O)N1 P15350 [0,2,0,0,0,0|1,0,1]=4 271 B11R1.464 CC1=CC(C)=C(CN)C(O)=N1 H10959 [0,2,0,0,0,0|1,0,0]=3 272 B11R1.464 CC1=CC(C)=NC(N)=C1C#N AT10442 [0,2,0,0,0,0|1,0,1]=4 273 B9R2.50 C1=CC2=C(C=C1)CC2 F15000 [1,0,0,1,0,0|1,0,0]=3 274 B11R2.34 ClC1=CC=C([C@@H]2CO2)C=C1 58242 [0,1,0,1,0,0|2,0,0]=4 275 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 V10033 [0,1,0,1,0,0|2,0,0]=4 276 B11R2.36 BrC1=CC2=C(C=C1)NCC2 F13820 [0,1,0,1,0,0|2,0,0]=4 277 B11R2.36 OC1=CC2=C(C=C1)NCC2 F19200 [0,1,0,1,0,0|2,0,0]=4 278 B7R1.1 CCC1=CC=CN1 D90555 [1,0,0,0,1,0|0,0,1]=3 279 B7R1.1 CCN1C=CC=C1 F17504 [1,0,0,0,1,0|1,0,0]=3 280 B7R1.1 COC1=CC=CO1 F10347 [1,0,0,0,1,0|2,0,0]=4 281 B7R1.1 CSC1=CC=CS1 77890 [1,0,0,0,1,0|2,0,0]=4 282 B7R1.1 NCC1=CC=CO1 AT17186 [1,0,0,0,1,0|2,0,0]=4 283 B7R1.1 NCC1=CC=NN1 70944 [1,0,0,0,1,0|2,0,0]=4 284 B7R1.1 NCC1=CSC=N1 30352 [1,0,0,0,1,0|2,0,0]=4 285 B7R1.1 NCC1=NNC=C1 39435 [1,0,0,0,1,0|2,0,0]=4 286 B7R1.1 NCC1=NNC=C1 W13339 [1,0,0,0,1,0|2,0,0]=4 287 B7R1.1 NCC1=NOC=C1 38445 [1,0,0,0,1,0|2,0,0]=4 288 B7R1.1 OCC1=CN=CN1 W10511 [1,0,0,0,1,0|2,0,0]=4 289 B7R1.1 OCC1=CNC=N1 W10530 [1,0,0,0,1,0|2,0,0]=4 290 B7R1.1 OCC1=NNC=C1 O10009 [1,0,0,0,1,0|2,0,0]=4 291 B7R1.2 CC1=CC(Cl)=NN1 37270 [1,0,0,0,1,0|2,0,0]=4 292 B7R1.2 CC1=CC(N)=NN1 SC1107 [1,0,0,0,1,0|2,0,0]=4 293 B7R1.2 CC1=CC=C(C)O1 F16580 [1,0,0,0,1,0|1,0,0]=3 294 B7R1.2 CC1=CSC(N)=N1 AT13365 [1,0,0,0,1,0|2,0,0]=4 295 B7R1.2 CC1=NNC(I)=C1 O11450 [1,0,0,0,1,0|2,0,0]=4 296 B7R1.2 CC1=NOC(O)=C1 AC8816 [1,0,0,0,1,0|2,0,0]=4 297 B7R1.2 CN1C=C(O)C=N1 AT16001 [1,0,0,0,1,0|2,0,0]=4 298 B7R1.2 CN1C=NC(N)=C1 AT15331 [1,0,0,0,1,0|2,0,0]=4