0 B11R1.24 CC1=CC=CC(OCCBr)=C1 D86494 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.24 CC1=CC=CC(OCCN)=C1 30931 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.24 CCCCC1=CC=CC(F)=C1 36944 [0,0,0,0,0,0|1,1,0]=2 3 B11R1.24 CCCCC1=CC=CC(N)=N1 78400 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 T70177 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.24 CCNCC1=CC=CC(O)=C1 31617 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.24 FC1=CC=CC(OCCBr)=C1 71908 [0,0,0,0,0,0|3,1,0]=4 7 B11R1.24 NCCCC1=CC=CC(Cl)=C1 F20098 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.24 O=CCCC1=CC=CC(Br)=C1 A10169 [0,0,0,0,0,0|2,1,0]=3 9 B11R1.24 OCC#CC1=CC=CC(Cl)=C1 BL006488 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.24 OCCCC1=CC=CC(Cl)=C1 AB3572 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.24 OCCCC1=CC=CC(F)=C1 AB3824 [0,0,0,0,0,0|2,1,0]=3 12 B11R1.24 OCCNC1=CC=CC(Cl)=N1 F15550 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.10 C=CCC1=CC=CC(O)=C1 AC1729 [1,0,0,0,0,0|1,0,2]=4 14 B10R1.10 CC#CC1=CC=CC(Br)=C1 Y10633 [1,0,0,0,0,0|0,1,2]=4 15 B10R1.10 CC1=CC=CC(CCCl)=C1 C74996 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.10 CCCC1=CC=CC(Br)=C1 W17019 [1,0,0,0,0,0|0,1,0]=2 17 B10R1.10 CCCC1=CC=CC(N)=C1 S11405 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.10 CCNC1=CC=CC(F)=C1 AB11320 [1,0,0,0,0,0|1,1,0]=3 19 B10R1.10 CCNC1=CC=CC(O)=C1 T71675 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.10 CCNC1=CC=NC(Cl)=N1 S12322 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.10 CCOC1=CC(Br)=NC=C1 C73290 [1,0,0,0,0,0|2,1,0]=4 22 B10R1.10 CCOC1=CC(Cl)=NC=C1 AC1568 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.10 CCOC1=CC(Cl)=NN=C1 C77015 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.10 CCOC1=CC=NC(Cl)=N1 A11250 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.10 CCOC1=NC(N)=CC=C1 78558 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.10 CCOC1=NC=CC(Cl)=C1 26911 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.10 CNCC1=CC(C)=CC=C1 C78188 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.10 CNCC1=CC=CC(Br)=N1 C76128 [1,0,0,0,0,0|1,1,0]=3 29 B10R1.10 COCC1=CC(Br)=CN=C1 W19232 [1,0,0,0,0,0|2,1,0]=4 30 B10R1.10 COCC1=CC(Cl)=NC=C1 CS1797 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.10 COCC1=CC(Cl)=NC=N1 92041 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.10 COCC1=CC=NC(Cl)=N1 C72174 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.10 CSCC1=CC(F)=CC=C1 A12575 [1,0,0,0,0,0|1,1,0]=3 34 B10R1.10 CSCC1=CC(N)=NC=C1 79313 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.10 CSCC1=CC=CC(Br)=C1 W10420 [1,0,0,0,0,0|1,1,0]=3 36 B10R1.10 CSCC1=CC=CC(Cl)=C1 W19463 [1,0,0,0,0,0|1,0,0]=2 37 B10R1.10 N#CCC1=CC(Cl)=NC=C1 81695 [1,0,0,0,0,0|1,0,2]=4 38 B10R1.10 NCCC1=CC=CC(N)=C1 51444 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.10 NNCC1=CC=CC(Br)=C1 AC3898 [1,0,0,0,0,0|1,1,0]=3 40 B10R1.10 NNCC1=CC=CC(F)=C1 75837 [1,0,0,0,0,0|1,1,0]=3 41 B10R1.10 O=CCC1=CC=CC(Br)=C1 AB10311 [1,0,0,0,0,0|1,1,1]=4 42 B10R1.10 O=CCC1=CC=CC(F)=C1 W16826 [1,0,0,0,0,0|1,1,1]=4 43 B10R1.10 OCCC1=CC(Cl)=NC=C1 70307 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.10 OCCC1=CC=CC(Br)=N1 AC1439 [1,0,0,0,0,0|2,1,0]=4 45 B10R1.10 OCCC1=NC=CC(Br)=C1 73397 [1,0,0,0,0,0|2,1,0]=4 46 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.17 CCCOC1=CC=CC=C1 C75927 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.17 CCNCC1=CC=CC=C1 D77748 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [1,0,0,0,0,0|1,0,0]=2 50 B10R1.17 CNNCC1=CC=CC=C1 30192 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.17 CNNCC1=CC=CN=C1 30189 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.17 N#CCCC1=CC=NC=C1 P16939 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.17 NCCCC1=CC=CN=C1 31799 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.17 NCCCC1=CC=NC=C1 S12068 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.17 SCCCC1=CC=NC=C1 F18251 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [1,0,0,0,0,0|0,0,2]=3 58 B12R1.17 CC1=CC=CC([C@@H](N)CCO)=C1 66831 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.17 CCCC(=O)C1=CC=CC(Br)=C1 N13963 [0,1,0,0,0,0|1,1,1]=4 60 B12R1.17 N#CC[C@H](N)C1=CC=CC(Br)=C1 Y14263 [0,1,0,0,0,0|2,1,0]=4 61 B12R1.17 N#CC[C@H](N)C1=CC=CC(Cl)=C1 Y14267 [0,1,0,0,0,0|2,0,0]=3 62 B12R1.17 N#CC[C@H](N)C1=CC=CC(F)=C1 Y14254 [0,1,0,0,0,0|2,1,0]=4 63 B12R1.17 NC1=CC=CC([C@@H](N)CCO)=C1 51811 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.17 N[C@@H](CCO)C1=CC=CC(Br)=C1 55916 [0,1,0,0,0,0|2,1,0]=4 65 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 57811 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 57812 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 11345 [0,1,0,0,0,0|2,1,0]=4 68 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 61121 [0,1,0,0,0,0|2,1,0]=4 69 B12R1.17 N[C@@H](CCO)C1=CC=CC(O)=C1 62495 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.17 OCC[C@H](O)C1=CC=CC(Cl)=C1 AC8875 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.25 CCNCC1=CC=CC(F)=C1F AC2475 [0,1,0,0,0,0|2,1,0]=4 72 B12R1.25 COCCN1C=CC=C(N)C1=O C71982 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.28 CCCCCC1=CC=CC(F)=C1 36943 [0,1,0,0,0,0|1,1,0]=3 74 B12R1.28 CCCCOC1=NC=CC(N)=C1 C76837 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.28 COCCOC1=NC=CC(Br)=C1 C72171 [0,1,0,0,0,0|2,1,0]=4 76 B12R1.28 COCCOC1=NC=CC(N)=C1 W16004 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.28 NCCCOC1=CC=CC(Cl)=C1 F21043 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.28 NCCCOC1=CC=CC(F)=C1 30687 [0,1,0,0,0,0|2,1,0]=4 79 B12R1.50 CC1=CC=CC(C[C@H](N)CO)=C1 C78158 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.50 CCC(=O)CC1=CC(C)=CC=C1 N14166 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.50 CCC(=O)CC1=CC=CC(Cl)=C1 N14150 [0,1,0,0,0,0|1,0,1]=3 82 B12R1.50 COC(=O)CC1=CC=CC(Cl)=N1 C73088 [0,1,0,0,0,0|2,0,1]=4 83 B12R1.50 NNC(=O)CC1=CC=CC(Cl)=C1 C78389 [0,1,0,0,0,0|1,0,1]=3 84 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 N11151 [0,1,0,0,0,0|2,0,0]=3 85 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 N11309 [0,1,0,0,0,0|2,0,0]=3 86 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11126 [0,1,0,0,0,0|2,1,0]=4 87 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11310 [0,1,0,0,0,0|2,1,0]=4 88 B12R1.226 CC(=O)SCC1=CC=CC(I)=C1 21164 [0,1,0,0,0,0|2,1,0]=4 89 B12R1.226 CC(C)CNC1=CC=CC(Br)=C1 W16002 [0,1,0,0,0,0|2,1,0]=4 90 B12R1.226 CC(C)COC1=CC(O)=CC=C1 W16042 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.374 CCNCC1=C(O)C=CC(Br)=C1 31606 [0,1,0,0,0,0|2,1,0]=4 92 B12R1.374 CCNCC1=C(O)C=CC(Cl)=C1 31829 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.374 CCNCC1=C(O)C=CC(F)=C1 31723 [0,1,0,0,0,0|2,1,0]=4 94 B12R1.382 CCNCC1=CC=CC(OC)=C1 78288 [0,1,0,0,0,0|3,0,0]=4 95 B12R1.382 CNCCC1=CC=CC(OC)=C1 27068 [0,1,0,0,0,0|1,0,0]=2 96 B12R1.382 COC1=CC=CC(CCCBr)=C1 C78405 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.382 COCCC1=CC(CN)=CC=C1 32411 [0,1,0,0,0,0|2,0,0]=3 98 B12R1.385 CCCOC1=CC(N)=C(N)C=C1 79315 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.385 CCNCC1=CC(O)=C(O)C=C1 32542 [0,1,0,0,0,0|3,0,0]=4 100 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 I11495 [0,0,0,1,0,0|2,1,0]=4 101 B12R2.24 BrC1=CC2=C(C=C1)CCOC2 O11641 [0,0,0,1,0,0|2,1,0]=4 102 B12R2.24 BrC1=CC2=C(C=C1)COCC2 72150 [0,0,0,1,0,0|1,1,0]=3 103 B12R2.24 BrC1=NC2=C(C=C1)CCCC2 D82621 [0,0,0,1,0,0|2,1,0]=4 104 B12R2.24 CC1=CC2=C(C=C1)CCCC2 I10992 [0,0,0,1,0,0|2,0,0]=3 105 B12R2.24 CC1=CC2=C(C=C1)CCCN2 26368 [0,0,0,1,0,0|3,0,0]=4 106 B12R2.24 CC1=CC2=C(C=C1)CCCN2 H11139 [0,0,0,1,0,0|3,0,0]=4 107 B12R2.24 CC1=CC2=C(C=C1)CCCO2 Y13225 [0,0,0,1,0,0|3,0,0]=4 108 B12R2.24 CC1=CC2=C(C=C1)CCOC2 N14607 [0,0,0,1,0,0|3,0,0]=4 109 B12R2.24 CC1=NC=C2CNCCC2=N1 94632 [0,0,0,1,0,0|3,0,0]=4 110 B12R2.24 ClC1=CC2=C(C=C1)CCCC2 N11405 [0,0,0,1,0,0|1,0,0]=2 111 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C10821 [0,0,0,1,0,0|2,0,0]=3 112 B12R2.24 ClC1=CC2=C(C=C1)CCCO2 Y13230 [0,0,0,1,0,0|2,0,0]=3 113 B12R2.24 ClC1=CC2=C(C=C1)CCN=C2 F10402 [0,0,0,1,0,0|2,0,1]=4 114 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 28104 [0,0,0,1,0,0|2,0,0]=3 115 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 O11644 [0,0,0,1,0,0|2,0,0]=3 116 B12R2.24 ClC1=CC2=C(C=C1)CNCC2 83052 [0,0,0,1,0,0|0,0,0]=1 117 B12R2.24 ClC1=CC2=C(C=C1)NCCO2 27238 [0,0,0,1,0,0|3,0,0]=4 118 B12R2.24 ClC1=CC2=C(C=C1)OCCC2 N11282 [0,0,0,1,0,0|2,0,0]=3 119 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 VT1094 [0,0,0,1,0,0|3,0,0]=4 120 B12R2.24 ClC1=NC2=C(C=C1)CCCC2 51056 [0,0,0,1,0,0|2,0,0]=3 121 B12R2.24 ClC1=NC2=C(C=C1)CCCN2 C72207 [0,0,0,1,0,0|3,0,0]=4 122 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 F11138 [0,0,0,1,0,0|1,0,0]=2 123 B12R2.24 ClC1=NC2=C(C=N1)CNCC2 83059 [0,0,0,1,0,0|2,0,0]=3 124 B12R2.24 ClC1=NC2=C(C=N1)CNCC2 P10751 [0,0,0,1,0,0|2,0,0]=3 125 B12R2.24 ClC1=NC2=C(CCCC2)N=C1 F50761 [0,0,0,1,0,0|3,0,0]=4 126 B12R2.24 FC1=CC2=C(C=C1)CCCC2 N10855 [0,0,0,1,0,0|1,1,0]=3 127 B12R2.24 FC1=CC2=C(C=C1)CCCN2 N12847 [0,0,0,1,0,0|2,1,0]=4 128 B12R2.24 FC1=CC2=C(C=C1)CCCO2 Y13024 [0,0,0,1,0,0|2,1,0]=4 129 B12R2.24 FC1=CC2=C(C=C1)OCCC2 Y11947 [0,0,0,1,0,0|2,1,0]=4 130 B12R2.24 IC1=CC2=C(C=C1)OCCC2 32826 [0,0,0,1,0,0|2,1,0]=4 131 B12R2.24 NC1=CC2=C(C=C1)CCCN2 F21389 [0,0,0,1,0,0|3,0,0]=4 132 B12R2.24 NC1=CC2=C(C=C1)CCCO2 Y13028 [0,0,0,1,0,0|3,0,0]=4 133 B12R2.24 NC1=CC2=C(C=C1)CCNC2 F19187 [0,0,0,1,0,0|3,0,0]=4 134 B12R2.24 NC1=CC2=C(C=C1)CNCC2 51458 [0,0,0,1,0,0|1,0,0]=2 135 B12R2.24 NC1=CC2=C(C=C1)CNCC2 52057 [0,0,0,1,0,0|1,0,0]=2 136 B12R2.24 NC1=CC2=C(C=C1)OCCC2 Y12467 [0,0,0,1,0,0|3,0,0]=4 137 B12R2.24 NC1=CC2=C(C=C1)OCCC2 Y13365 [0,0,0,1,0,0|3,0,0]=4 138 B12R2.24 NC1=CN=C2CCCCC2=C1 F30818 [0,0,0,1,0,0|3,0,0]=4 139 B12R2.24 NC1=NC=C2CCCCC2=C1 52994 [0,0,0,1,0,0|3,0,0]=4 140 B12R2.24 O=C1C=CC2=C(CCNC2)N1 89007 [0,0,0,1,0,0|2,0,0]=3 141 B12R2.24 O=C1C=CC2=C(CCNC2)N1 C76139 [0,0,0,1,0,0|2,0,0]=3 142 B12R2.24 OC1=CC2=C(C=C1)CCCO2 Y11632 [0,0,0,1,0,0|3,0,0]=4 143 B12R2.24 OC1=CC2=C(C=C1)CCNC2 S11181 [0,0,0,1,0,0|3,0,0]=4 144 B12R2.24 OC1=CC2=C(C=C1)CCOC2 Y13231 [0,0,0,1,0,0|3,0,0]=4 145 B12R2.24 OC1=CC2=C(C=C1)COCC2 N13209 [0,0,0,1,0,0|2,0,0]=3 146 B12R2.24 OC1=CC2=C(C=C1)OCCC2 N12986 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.24 OC1=NC2=C(C=N1)CNCC2 S10511 [0,0,0,1,0,0|3,0,0]=4 148 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 Y10415 [0,0,0,1,0,0|2,0,0]=3 149 B12R2.80 NC1CC1C2=CC=CC(F)=C2 F31083 [0,0,0,1,0,0|2,1,0]=4 150 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2N F16924 [0,0,0,1,0,0|3,0,0]=4 151 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2N N11228 [0,0,0,1,0,0|3,0,0]=4 152 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2O 72767 [0,0,0,1,0,0|3,0,0]=4 153 B12R2.203 CC1=NNC2=CC=CC(Cl)=C21 F18361 [0,0,0,1,0,0|3,0,0]=4 154 B12R2.203 CN1C=CC2=NC=CC(Cl)=C21 C91552 [0,0,0,1,0,0|1,0,2]=4 155 B12R2.203 CN1C=NC2=C1C(N)=CC=C2 O10422 [0,0,0,1,0,0|2,0,1]=4 156 B12R2.203 CN1C=NC2=CC=CC(Br)=C21 91615 [0,0,0,1,0,0|1,1,1]=4 157 B12R2.203 CN1N=CC2=C1C(Cl)=NC=C2 CS1347 [0,0,0,1,0,0|2,0,1]=4 158 B12R2.203 CN1N=CC2=CC=CC(Br)=C21 26557 [0,0,0,1,0,0|1,1,1]=4 159 B12R2.203 CN1N=CC2=CC=CC(F)=C21 P16161 [0,0,0,1,0,0|1,1,1]=4 160 B12R2.203 CN1N=CC2=NC=CC(Cl)=C21 F18684 [0,0,0,1,0,0|2,0,1]=4 161 B12R2.203 NC1=C2C(=O)CCC2=CC=C1 79955 [0,0,0,1,0,0|3,0,0]=4 162 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 N11312 [0,0,0,1,0,0|2,1,0]=4 163 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 Y11358 [0,0,0,1,0,0|2,1,0]=4 164 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y10796 [0,0,0,1,0,0|2,1,0]=4 165 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y11442 [0,0,0,1,0,0|2,1,0]=4 166 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y11534 [0,0,0,1,0,0|2,1,0]=4 167 B12R2.203 N[C@H]1CCC2=CC=CC(O)=C21 F31358 [0,0,0,1,0,0|3,0,0]=4 168 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 58274 [0,0,0,1,0,0|2,0,0]=3 169 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N10990 [0,0,0,1,0,0|3,0,0]=4 170 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N12981 [0,0,0,1,0,0|3,0,0]=4 171 B12R2.612 CC1=CC2=C(C=C1)[C@@H](O)CC2 72141 [0,0,0,1,0,0|3,0,0]=4 172 B12R2.612 CC1=CNC2=C1C=CC(Cl)=C2 82345 [0,0,0,1,0,0|2,0,1]=4 173 B12R2.612 CN1C=CC2=C1C=CC(Cl)=C2 A10102 [0,0,0,1,0,0|0,0,2]=3 174 B12R2.612 CN1C=CC2=C1C=CC(O)=C2 F14443 [0,0,0,1,0,0|1,0,2]=4 175 B12R2.612 CN1C=CC2=CC(Cl)=CN=C21 C72073 [0,0,0,1,0,0|1,0,2]=4 176 B12R2.612 CN1C=NC2=CC(Cl)=NC=C21 O11573 [0,0,0,1,0,0|2,0,1]=4 177 B12R2.612 CN1CCC2=CC(Br)=CN=C21 S10257 [0,0,0,1,0,0|1,1,0]=3 178 B12R2.612 CN1N=CC2=C1C=CC(Cl)=N2 Y14870 [0,0,0,1,0,0|2,0,1]=4 179 B12R2.612 CN1N=CC2=C1C=CC(O)=C2 26833 [0,0,0,1,0,0|2,0,1]=4 180 B12R2.612 CN1N=NC2=C1C=CC(Br)=C2 F15530 [0,0,0,1,0,0|2,1,0]=4 181 B12R2.612 CN1N=NC2=C1C=CC(N)=C2 D92976 [0,0,0,1,0,0|3,0,0]=4 182 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67300 [0,0,0,1,0,0|2,1,0]=4 183 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67303 [0,0,0,1,0,0|2,1,0]=4 184 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 N11203 [0,0,0,1,0,0|2,1,0]=4 185 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 O10181 [0,0,0,1,0,0|2,1,0]=4 186 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 Y10109 [0,0,0,1,0,0|2,1,0]=4 187 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 N12837 [0,0,0,1,0,0|2,0,0]=3 188 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10880 [0,0,0,1,0,0|2,0,0]=3 189 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10881 [0,0,0,1,0,0|2,0,0]=3 190 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10918 [0,0,0,1,0,0|2,0,0]=3 191 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10919 [0,0,0,1,0,0|2,0,0]=3 192 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11253 [0,0,0,1,0,0|2,1,0]=4 193 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11814 [0,0,0,1,0,0|2,1,0]=4 194 B12R2.612 N[C@H]1CCC2=C1C=CC(O)=C2 Y11929 [0,0,0,1,0,0|3,0,0]=4 195 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 78363 [0,0,0,1,0,0|2,1,0]=4 196 B12R2.612 O=C1NCC2=C1C=CC(Cl)=C2 83087 [0,0,0,1,0,0|3,0,0]=4 197 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 67299 [0,0,0,1,0,0|2,1,0]=4 198 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 67301 [0,0,0,1,0,0|2,1,0]=4 199 B12R2.1081 BrC1=C2CCCCC2=CN=C1 84232 [0,0,0,1,0,0|2,1,0]=4 200 B12R2.1081 BrC1=C2CCCOC2=CC=C1 I11493 [0,0,0,1,0,0|2,1,0]=4 201 B12R2.1081 BrC1=C2CCOCC2=CC=C1 N13086 [0,0,0,1,0,0|2,1,0]=4 202 B12R2.1081 BrC1=C2CNCCC2=CC=C1 P10908 [0,0,0,1,0,0|0,1,0]=2 203 B12R2.1081 BrC1=C2COCCC2=CC=C1 72830 [0,0,0,1,0,0|1,1,0]=3 204 B12R2.1081 BrC1=C2NCCCC2=CC=C1 D82984 [0,0,0,1,0,0|2,1,0]=4 205 B12R2.1081 BrC1=C2OCCCC2=CC=C1 I11496 [0,0,0,1,0,0|2,1,0]=4 206 B12R2.1081 CC1=CC=CC2=C1CCCC2 N10858 [0,0,0,1,0,0|2,0,0]=3 207 B12R2.1081 CC1=CC=CC2=C1CCCO2 Y13226 [0,0,0,1,0,0|3,0,0]=4 208 B12R2.1081 CC1=CC=CC2=C1CCNC2 71743 [0,0,0,1,0,0|3,0,0]=4 209 B12R2.1081 CC1=CC=CC2=C1OCCC2 Y13223 [0,0,0,1,0,0|3,0,0]=4 210 B12R2.1081 ClC1=C2CCCCC2=CC=C1 Y13222 [0,0,0,1,0,0|1,0,0]=2 211 B12R2.1081 ClC1=C2CCNCC2=CC=C1 F52623 [0,0,0,1,0,0|2,0,0]=3 212 B12R2.1081 ClC1=C2CNCCC2=CC=C1 24214 [0,0,0,1,0,0|0,0,0]=1 213 B12R2.1081 ClC1=C2NCCCC2=CC=C1 F16849 [0,0,0,1,0,0|2,0,0]=3 214 B12R2.1081 ClC1=C2OCCCC2=CC=C1 N10904 [0,0,0,1,0,0|2,0,0]=3 215 B12R2.1081 ClC1=C2OCCNC2=CC=C1 W10055 [0,0,0,1,0,0|3,0,0]=4 216 B12R2.1081 ClC1=NC=CC2=C1CCCN2 67470 [0,0,0,1,0,0|3,0,0]=4 217 B12R2.1081 ClC1=NC=NC2=C1COCC2 90975 [0,0,0,1,0,0|3,0,0]=4 218 B12R2.1081 FC1=C2CCCNC2=CC=C1 SC2341 [0,0,0,1,0,0|2,1,0]=4 219 B12R2.1081 FC1=C2CCCNC2=CC=C1 Y12021 [0,0,0,1,0,0|2,1,0]=4 220 B12R2.1081 FC1=C2CCNCC2=CC=C1 26908 [0,0,0,1,0,0|2,1,0]=4 221 B12R2.1081 FC1=C2CCNCC2=CC=C1 F13835 [0,0,0,1,0,0|2,1,0]=4 222 B12R2.1081 FC1=C2NCCCC2=CC=C1 N12833 [0,0,0,1,0,0|2,1,0]=4 223 B12R2.1081 FC1=C2OCCCC2=CC=C1 N11406 [0,0,0,1,0,0|2,1,0]=4 224 B12R2.1081 NC1=C2CNCCC2=CC=C1 81638 [0,0,0,1,0,0|1,0,0]=2 225 B12R2.1081 NC1=C2OCCCC2=CC=C1 N13184 [0,0,0,1,0,0|3,0,0]=4 226 B12R2.1081 NC1=CC=CC2=C1CCCN2 21021 [0,0,0,1,0,0|3,0,0]=4 227 B12R2.1081 NC1=CC=CC2=C1CCCO2 S11588 [0,0,0,1,0,0|3,0,0]=4 228 B12R2.1081 NC1=CC=CC2=C1CCCO2 S12176 [0,0,0,1,0,0|3,0,0]=4 229 B12R2.1081 NC1=NC=CC2=C1CCCC2 53695 [0,0,0,1,0,0|3,0,0]=4 230 B12R2.1081 O=C1N=CNC2=C1CNCC2 C13620 [0,0,0,1,0,0|3,0,0]=4 231 B12R2.1081 O=C1NC=NC2=C1CNCC2 SC3291 [0,0,0,1,0,0|3,0,0]=4 232 B12R2.1081 OC1=C2CCCCC2=NC=C1 C16516 [0,0,0,1,0,0|3,0,0]=4 233 B12R2.1081 OC1=C2CCCNC2=CC=C1 F30097 [0,0,0,1,0,0|3,0,0]=4 234 B12R2.1081 OC1=C2CCNCC2=CC=C1 71954 [0,0,0,1,0,0|3,0,0]=4 235 B12R2.1081 OC1=C2CCNCC2=CC=C1 D80201 [0,0,0,1,0,0|3,0,0]=4 236 B12R2.1081 OC1=C2CNCCC2=CC=C1 F19176 [0,0,0,1,0,0|1,0,0]=2 237 B12R2.1286 BrC1=CC(OC2CC2)=CC=C1 AT13863 [0,0,0,1,0,0|2,1,0]=4 238 B12R2.2313 BrC1=CC(C2CCC2)=NC=C1 84228 [0,0,0,1,0,0|2,1,0]=4 239 B12R2.2313 BrC1=CC(C2CNC2)=CC=C1 85615 [0,0,0,1,0,0|0,1,0]=2 240 B12R2.2313 BrC1=CC([C@@H]2CCN2)=CC=C1 P19006 [0,0,0,1,0,0|2,1,0]=4 241 B12R2.2313 BrC1=CC([C@@H]2CCN2)=CC=C1 P19042 [0,0,0,1,0,0|2,1,0]=4 242 B12R2.2313 FC1=CC(C2CNC2)=CC=C1 85611 [0,0,0,1,0,0|0,1,0]=2 243 B12R2.2313 NC1=NC=CC(C2COC2)=C1 80903 [0,0,0,1,0,0|3,0,0]=4 244 B10R1.16 CCCCC1=CC=C(Br)S1 W19333 [0,0,0,0,1,0|2,1,0]=4 245 B9R1.2 CC1=CC(CN)=NC=C1 72801 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.2 CC1=CC(CN)=NC=C1 78899 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.2 CC1=CN=CC(CN)=C1 72799 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.2 CC1=NC=CC(CN)=C1 72809 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.2 CCC1=CC(Br)=CN=C1 25835 [2,0,0,0,0,0|1,1,0]=4 251 B9R1.2 CCC1=CC(Cl)=NC=N1 F17302 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.2 CCC1=CC=CC(Br)=N1 O10692 [2,0,0,0,0,0|1,1,0]=4 253 B9R1.2 CCC1=CC=NC(Cl)=N1 30656 [2,0,0,0,0,0|2,0,0]=4 254 B9R1.2 CCC1=NC=CC(Br)=C1 S10560 [2,0,0,0,0,0|1,1,0]=4 255 B9R1.2 CNC1=CC(Br)=NC=C1 CS1908 [2,0,0,0,0,0|1,1,0]=4 256 B9R1.2 CNC1=CC(N)=CC=C1 36494 [2,0,0,0,0,0|1,0,0]=3 257 B9R1.2 CNC1=NC=CC(Br)=C1 32749 [2,0,0,0,0,0|1,1,0]=4 258 B9R1.2 CNC1=NC=CC(Cl)=N1 24763 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.2 CNC1=NC=CC(N)=C1 27435 [2,0,0,0,0,0|2,0,0]=4 260 B9R1.2 CSC1=CC(F)=CC=C1 A12732 [2,0,0,0,0,0|1,1,0]=4 261 B9R1.2 CSC1=CC(O)=CC=C1 W12966 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.2 CSC1=CC=CC(Cl)=N1 F14554 [2,0,0,0,0,0|2,0,0]=4 263 B9R1.2 ClC1=CC=CC(CBr)=N1 55241 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.2 ClC1=NC=CC(CBr)=C1 A10561 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.2 ClCC1=CC=CC(Cl)=N1 F52578 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.2 ClCC1=NC=CC(Cl)=C1 AC1913 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.2 NC1=CC=CC(CF)=C1 32172 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.2 NCC1=CC(Br)=CN=C1 Y14573 [2,0,0,0,0,0|1,1,0]=4 269 B9R1.2 NCC1=CC(Cl)=CN=C1 29807 [2,0,0,0,0,0|1,0,0]=3 270 B9R1.2 NCC1=CC(Cl)=NC=C1 71552 [2,0,0,0,0,0|1,0,0]=3 271 B9R1.2 NCC1=CC(F)=NC=C1 73765 [2,0,0,0,0,0|1,1,0]=4 272 B9R1.2 NCC1=CC=CC(=O)N1 78897 [2,0,0,0,0,0|2,0,0]=4 273 B9R1.2 NCC1=CC=CC(Br)=N1 CS1515 [2,0,0,0,0,0|1,1,0]=4 274 B9R1.2 NCC1=CC=CC(Cl)=N1 C73611 [2,0,0,0,0,0|1,0,0]=3 275 B9R1.2 NCC1=CC=CC(F)=N1 25846 [2,0,0,0,0,0|1,1,0]=4 276 B9R1.2 NCC1=CC=CC(N)=N1 H10329 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.2 NCC1=CC=C[N+]([O-])=C1 W12624 [2,0,0,0,0,0|2,0,0]=4 278 B9R1.2 NCC1=CN=CC(Cl)=N1 P10985 [2,0,0,0,0,0|2,0,0]=4 279 B9R1.2 NCC1=NC=CC(Br)=C1 26881 [2,0,0,0,0,0|1,1,0]=4 280 B9R1.2 NCC1=NC=CC(Br)=C1 P17869 [2,0,0,0,0,0|1,1,0]=4 281 B9R1.2 NCC1=NC=CC(Cl)=C1 P18502 [2,0,0,0,0,0|1,0,0]=3 282 B9R1.2 NCC1=NC=CC(Cl)=C1 Y12031 [2,0,0,0,0,0|1,0,0]=3 283 B9R1.2 OCC1=CC(Cl)=CN=C1 26741 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.8 BrCCC1=CC=NC=C1 C71689 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.8 CCNC1=CC=CN=C1 C15578 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.8 CNCC1=CC=NC=C1 AR1712 [2,0,0,0,0,0|1,0,0]=3 287 B9R1.8 CNCC1=CN=NC=C1 P16258 [2,0,0,0,0,0|2,0,0]=4 288 B9R1.8 CNCC1=NC=CC=N1 W11490 [2,0,0,0,0,0|2,0,0]=4 289 B9R1.8 ClCCC1=CC=NC=C1 O11064 [2,0,0,0,0,0|2,0,0]=4 290 B9R1.8 NCCC1=NC=CC=N1 P15951 [2,0,0,0,0,0|2,0,0]=4 291 B9R1.8 NCCC1=NC=CN=C1 AR1061 [2,0,0,0,0,0|2,0,0]=4 292 B9R1.8 NCCC1=NC=NC=C1 P18517 [2,0,0,0,0,0|2,0,0]=4 293 B9R1.8 NNCC1=CC=CN=C1 78930 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.8 NNCC1=CC=NC=C1 37009 [2,0,0,0,0,0|2,0,0]=4 295 B9R1.8 NNCC1=CC=NC=C1 BL009189 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.8 NNCC1=NC=CC=C1 78929 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.8 NOCC1=CN=CC=C1 AC6038 [2,0,0,0,0,0|2,0,0]=4 298 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [2,0,0,0,0,0|1,0,1]=4 299 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [2,0,0,0,0,0|0,0,2]=4 300 B11R1.13 CCNC1=CC=CC(Cl)=C1Cl AB1375 [1,1,0,0,0,0|1,0,0]=3 301 B11R1.13 CCOC1=C(N)C(N)=CC=C1 79683 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.13 CCOC1=CC=CC(F)=C1N D84510 [1,1,0,0,0,0|1,1,0]=4 303 B11R1.13 CNCC1=CC=CC(Cl)=C1Cl 23580 [1,1,0,0,0,0|0,0,0]=2 304 B11R1.13 CNCC1=CC=CC(Cl)=C1F 36790 [1,1,0,0,0,0|0,0,0]=2 305 B11R1.13 CNCC1=CC=CC(Cl)=C1F 76700 [1,1,0,0,0,0|0,0,0]=2 306 B11R1.13 CNCC1=CC=CC(F)=C1F AC1201 [1,1,0,0,0,0|0,1,0]=3 307 B11R1.13 COCC1=CC=CC(Br)=C1F 79640 [1,1,0,0,0,0|1,1,0]=4 308 B11R1.13 NCCC1=CC=CC(F)=C1F Y13621 [1,1,0,0,0,0|0,1,0]=3 309 B11R1.13 OCCC1=CC=CC(F)=C1F A11216 [1,1,0,0,0,0|1,1,0]=4 310 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11093 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11094 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11207 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y10647 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y10654 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y12450 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.23 CCC(=O)C1=NC=CC(Cl)=C1 FD10573 [1,1,0,0,0,0|1,0,1]=4 317 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11059 [1,1,0,0,0,0|1,0,0]=3 318 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11060 [1,1,0,0,0,0|1,0,0]=3 319 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N13204 [1,1,0,0,0,0|1,0,0]=3 320 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N14300 [1,1,0,0,0,0|1,0,0]=3 321 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y12439 [1,1,0,0,0,0|1,0,0]=3 322 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y13349 [1,1,0,0,0,0|1,0,0]=3 323 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N10470 [1,1,0,0,0,0|0,1,0]=3 324 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N10952 [1,1,0,0,0,0|0,1,0]=3 325 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N11195 [1,1,0,0,0,0|0,1,0]=3 326 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 Y10721 [1,1,0,0,0,0|0,1,0]=3 327 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 Y11058 [1,1,0,0,0,0|0,1,0]=3 328 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12113 [1,1,0,0,0,0|1,1,0]=4 329 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12114 [1,1,0,0,0,0|1,1,0]=4 330 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12864 [1,1,0,0,0,0|1,1,0]=4 331 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 Y10291 [1,1,0,0,0,0|0,0,0]=2 332 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 20089 [1,1,0,0,0,0|0,1,0]=3 333 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 N10472 [1,1,0,0,0,0|0,1,0]=3 334 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 N10473 [1,1,0,0,0,0|0,1,0]=3 335 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 Y10473 [1,1,0,0,0,0|0,1,0]=3 336 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 Y11089 [1,1,0,0,0,0|0,1,0]=3 337 B11R1.23 CC[C@H](N)C1=CC=CC(O)=C1 Y14524 [1,1,0,0,0,0|1,0,0]=3 338 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y11601 [1,1,0,0,0,0|1,0,0]=3 339 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y12434 [1,1,0,0,0,0|1,0,0]=3 340 B11R1.23 CN[C@@H](C)C1=CC=CC(Br)=C1 Y10927 [1,1,0,0,0,0|0,1,0]=3 341 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y12192 [1,1,0,0,0,0|0,0,0]=2 342 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13371 [1,1,0,0,0,0|0,0,0]=2 343 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13372 [1,1,0,0,0,0|0,0,0]=2 344 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13373 [1,1,0,0,0,0|0,0,0]=2 345 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y14837 [1,1,0,0,0,0|0,1,0]=3 346 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y14849 [1,1,0,0,0,0|0,1,0]=3 347 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13444 [1,1,0,0,0,0|0,1,0]=3 348 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 Y10361 [1,1,0,0,0,0|0,0,0]=2 349 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 I11040 [1,1,0,0,0,0|1,1,0]=4 350 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 I11042 [1,1,0,0,0,0|1,1,0]=4 351 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 N11209 [1,1,0,0,0,0|1,1,0]=4 352 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 Y10525 [1,1,0,0,0,0|1,1,0]=4 353 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 F16952 [1,1,0,0,0,0|1,0,0]=3 354 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 I11003 [1,1,0,0,0,0|1,0,0]=3 355 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 Y10108 [1,1,0,0,0,0|1,0,0]=3 356 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 Y10643 [1,1,0,0,0,0|1,0,0]=3 357 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 F16917 [1,1,0,0,0,0|1,1,0]=4 358 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 N11105 [1,1,0,0,0,0|1,1,0]=4 359 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 Y10686 [1,1,0,0,0,0|1,1,0]=4 360 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 Y10867 [1,1,0,0,0,0|1,1,0]=4 361 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 Y10947 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.23 O=C(CO)C1=CC=CC(Cl)=C1 AC6589 [1,1,0,0,0,0|1,0,1]=4 363 B11R1.23 OC[C@H](Cl)C1=CC=CC(Cl)=C1 58254 [1,1,0,0,0,0|1,0,0]=3 364 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 58256 [1,1,0,0,0,0|1,0,0]=3 365 B11R1.34 CCCC1=CC(F)=CC(F)=C1 T70464 [1,1,0,0,0,0|0,1,0]=3 366 B11R1.34 CCOC1=CC(Cl)=NC(Cl)=C1 FD10601 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.34 CNCC1=CC(Cl)=CC(Cl)=C1 77974 [1,1,0,0,0,0|0,0,0]=2 368 B11R1.34 CNCC1=CC(Cl)=CC(Cl)=C1 N16813 [1,1,0,0,0,0|0,0,0]=2 369 B11R1.34 CNCC1=CC(F)=CC(F)=C1 36789 [1,1,0,0,0,0|0,1,0]=3 370 B11R1.34 FC1=CC(F)=CC(CCBr)=C1 C78634 [1,1,0,0,0,0|1,1,0]=4 371 B11R1.34 N#CCC1=CC(Br)=CC(Cl)=C1 35726 [1,1,0,0,0,0|0,0,2]=4 372 B11R1.34 OCCC1=CC(Cl)=CC(Cl)=C1 CK1128 [1,1,0,0,0,0|1,0,0]=3 373 B11R1.34 OCCC1=CC(F)=CC(F)=C1 35629 [1,1,0,0,0,0|1,1,0]=4 374 B11R1.34 SCCC1=CC(Cl)=CC(Cl)=C1 F50628 [1,1,0,0,0,0|1,0,0]=3 375 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 Y11318 [1,1,0,0,0,0|1,0,1]=4 376 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 C72557 [1,1,0,0,0,0|0,1,0]=3 377 B11R1.157 CC(C)OC1=CC(Cl)=NC=C1 AB10973 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.157 CC(C)OC1=CC(O)=CC=C1 C13518 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.157 CC(C)OC1=NC=CC(Cl)=C1 W12583 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.157 CN(C)CC1=CC=CC(O)=C1 C75839 [1,1,0,0,0,0|1,0,0]=3 381 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 N10830 [1,1,0,0,0,0|0,1,0]=3 382 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 Y11543 [1,1,0,0,0,0|0,1,0]=3 383 B11R1.157 C[C@H](O)CC1=CC=CC(Cl)=C1 W16410 [1,1,0,0,0,0|0,0,0]=2 384 B11R1.157 C[C@H](O)CC1=NC=CC(Br)=C1 AC4439 [1,1,0,0,0,0|1,1,0]=4 385 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 C72191 [1,1,0,0,0,0|1,0,1]=4 386 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 57489 [1,1,0,0,0,0|0,0,1]=3 387 B11R1.182 CCOC1=C(Br)C=CC(Cl)=N1 D83089 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.182 CCOC1=C(Br)C=NC(Cl)=C1 D70594 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.182 CCOC1=CC(Cl)=NC=C1N C76855 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.182 CNCC1=C(O)C=CC(Cl)=C1 31930 [1,1,0,0,0,0|0,0,0]=2 391 B11R1.182 CNCC1=C(O)C=CC(F)=C1 32252 [1,1,0,0,0,0|0,1,0]=3 392 B11R1.182 COCC1=C(F)C=CC(Br)=C1 N10199 [1,1,0,0,0,0|1,1,0]=4 393 B11R1.182 COCC1=C(N)C=CC(N)=C1 C74735 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.182 OCCC1=C(F)C=CC(F)=C1 A50721 [1,1,0,0,0,0|1,1,0]=4 395 B11R1.182 OCCC1=C(O)C=CC(Br)=C1 W15209 [1,1,0,0,0,0|1,1,0]=4 396 B11R1.189 CNCC1=CC=CC(C#N)=C1 C77059 [1,1,0,0,0,0|1,0,0]=3 397 B11R1.189 COC1=CC=CC(CSC)=C1 W19464 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.189 COC1=CN=CC(CCN)=C1 W10141 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.189 COC1=NC(CCN)=CC=C1 73037 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.189 COC1=NC=CC(CCN)=C1 W10138 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.189 COCC1=CC(CN)=CC=C1 O10066 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.189 COCC1=CC=CC(C=O)=C1 Y14420 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.189 N#CC1=CC(CNN)=CC=C1 D95131 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.189 N#CC1=CC=CC(CCO)=C1 72018 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.192 CC1=C(Br)C=CC(CCN)=C1 AB8409 [1,1,0,0,0,0|1,0,0]=3 406 B11R1.192 CCCC1=CC(F)=C(Br)C=C1 A12131 [1,1,0,0,0,0|0,1,0]=3 407 B11R1.192 CCNC1=CC(Cl)=C(Cl)C=C1 AB1379 [1,1,0,0,0,0|1,0,0]=3 408 B11R1.192 CCOC1=CC(F)=C(N)C=C1 A12546 [1,1,0,0,0,0|1,1,0]=4 409 B11R1.192 CNCC1=CC(F)=C(F)C=C1 36786 [1,1,0,0,0,0|0,1,0]=3 410 B11R1.192 CNCC1=CC(O)=C(O)C=C1 31716 [1,1,0,0,0,0|1,0,0]=3 411 B11R1.192 COCC1=CC(Br)=C(F)C=C1 N10448 [1,1,0,0,0,0|1,1,0]=4 412 B11R1.192 COCC1=CC(N)=C(Br)C=C1 CL9396 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.192 NCCC1=CC(F)=C(Cl)C=C1 D79909 [1,1,0,0,0,0|0,1,0]=3 414 B11R1.192 OCCC1=CC(F)=C(F)C=C1 CL9076 [1,1,0,0,0,0|1,1,0]=4 415 B11R1.192 OCCC1=CC(O)=C(O)C=C1 68063 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.1 C=CCCC1=CC=C(Br)C=C1 VT1222 [1,1,0,0,0,0|1,0,1]=4 417 B11R1.1 C=CCCC1=CC=C(O)C=C1 AC1840 [1,1,0,0,0,0|1,0,1]=4 418 B11R1.1 CCNCC1=CC=C(C)C=C1 78307 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.1 CCNCC1=CC=C(N)C=C1 AC1810 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.1 CCNCC1=CC=C(O)C=C1 31967 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.1 CCOCC1=CC=C(Br)C=C1 W19177 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.1 CCOCC1=CC=C(O)C=C1 27758 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.1 CNCCC1=CC=C(N)C=C1 76010 [1,1,0,0,0,0|0,0,0]=2 424 B11R1.1 FC1=CC=C(CCCBr)C=C1 AB8466 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.1 FC1=CC=C(CCCI)C=C1 AC3098 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.1 N#CCCC1=CC=C(Br)C=C1 O10869 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.1 NCCCC1=CC=C(F)C=C1 C72058 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.1 O=CCCC1=CC=C(Br)C=C1 29444 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 AB6893 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.1 O=CCCC1=CC=C(O)C=C1 F19751 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 I11297 [1,1,0,0,0,0|1,0,1]=4 432 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y10366 [1,1,0,0,0,0|1,0,1]=4 433 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y12585 [1,1,0,0,0,0|1,0,1]=4 434 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y13293 [1,1,0,0,0,0|1,0,1]=4 435 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [1,1,0,0,0,0|1,0,0]=3 436 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [1,1,0,0,0,0|1,0,0]=3 437 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [1,1,0,0,0,0|1,0,0]=3 438 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 31766 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 Y11462 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12553 [1,1,0,0,0,0|1,0,0]=3 441 B11R1.16 C[C@@H](CCN)C1=CC=CC=C1 AC6042 [1,1,0,0,0,0|2,0,0]=4 442 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 AB1470 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65208 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.17 C=CCCC1=C(Br)C=CC=C1 20639 [1,1,0,0,0,0|1,0,1]=4 445 B11R1.17 CCNCC1=C(O)C=CC=C1 AC1355 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.17 COCCC1=C(O)C=CC=C1 D94967 [1,1,0,0,0,0|1,0,0]=3 447 B11R1.17 FC1=C(CCCBr)C=CC=C1 AB10312 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.17 NC1=C(CCCO)C=CC=C1 Y12219 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.17 NCCCC1=C(Br)C=CC=C1 AC1659 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 20776 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.17 OCCCC1=C(Cl)C=CC=C1 AB3571 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.17 OCCCC1=C(F)C=CC=C1 AB3823 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.28 BrCCSCC1=CC=CC=C1 D80856 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.28 C#CCNCC1=CC=CC=C1 W16389 [1,1,0,0,0,0|1,0,1]=4 455 B11R1.28 CC#CCOC1=CC=CC=C1 W17093 [1,1,0,0,0,0|1,0,1]=4 456 B11R1.28 CCCCCC1=CC=CN=C1 O11045 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.28 CCCCCC1=CC=NC=C1 T70725 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.28 CCCCCC1=NC=CC=C1 D70816 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [1,1,0,0,0,0|0,0,0]=2 460 B11R1.28 ICCOCC1=CC=CC=C1 70075 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.28 N#CCNCC1=CC=CC=C1 80731 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.28 NCCCOC1=CC=CC=C1 76995 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.28 NCCCOC1=CC=CC=C1 AB7704 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.28 OCCCCC1=NC=CC=C1 30660 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 C75175 [1,1,0,0,0,0|1,0,1]=4 466 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [1,1,0,0,0,0|1,0,1]=4 467 B11R1.40 CNC(=O)CC1=CN=CC=C1 C71252 [1,1,0,0,0,0|1,0,1]=4 468 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [1,1,0,0,0,0|1,0,1]=4 469 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [1,1,0,0,0,0|1,0,0]=3 471 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [1,1,0,0,0,0|1,0,1]=4 473 B13R1.18 COCCN(C)C1=CC(N)=CC=C1 D80503 [0,2,0,0,0,0|2,0,0]=4 474 B13R1.18 N#CCCC(=O)C1=CC=CC(Cl)=C1 AB8926 [0,2,0,0,0,0|2,0,0]=4 475 B13R1.22 COC(=O)[C@H](Br)C1=CC(Cl)=CC=C1 F16047 [0,2,0,0,0,0|1,0,1]=4 476 B13R1.22 COC(=O)[C@H](N)C1=CC=CC(Cl)=C1 Y11401 [0,2,0,0,0,0|1,0,1]=4 477 B13R1.22 COC(=O)[C@H](O)C1=CC=CC(Cl)=C1 A10120 [0,2,0,0,0,0|1,0,1]=4 478 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Cl)=C1 58168 [0,2,0,0,0,0|2,0,0]=4 479 B13R1.147 O=C(O)C[C@H](O)C1=CC=CC(Cl)=C1 D80731 [0,2,0,0,0,0|2,0,0]=4 480 B13R1.446 CCC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y12264 [0,2,0,0,0,0|1,1,0]=4 481 B13R1.446 CCC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y13330 [0,2,0,0,0,0|1,1,0]=4 482 B13R1.446 CCC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y13336 [0,2,0,0,0,0|1,1,0]=4 483 B13R1.446 CCC[C@H](N)C1=C(Br)C=CC(F)=C1 Y11992 [0,2,0,0,0,0|1,1,0]=4 484 B13R1.446 CCC[C@H](N)C1=C(Br)C=CC(F)=C1 Y12041 [0,2,0,0,0,0|1,1,0]=4 485 B13R1.446 CCC[C@H](N)C1=C(Br)C=CC(F)=C1 Y13017 [0,2,0,0,0,0|1,1,0]=4 486 B13R1.446 CCC[C@H](N)C1=C(C)C=CC(C)=C1 Y12444 [0,2,0,0,0,0|2,0,0]=4 487 B13R1.446 CCC[C@H](N)C1=C(C)C=CC(C)=C1 Y12445 [0,2,0,0,0,0|2,0,0]=4 488 B13R1.446 CCC[C@H](N)C1=C(C)C=CC(F)=C1 Y12605 [0,2,0,0,0,0|1,1,0]=4 489 B13R1.446 CCC[C@H](N)C1=C(C)C=CC(F)=C1 Y13328 [0,2,0,0,0,0|1,1,0]=4 490 B13R1.446 CCC[C@H](N)C1=C(C)C=CC(F)=C1 Y13334 [0,2,0,0,0,0|1,1,0]=4 491 B13R1.446 CCC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12168 [0,2,0,0,0,0|1,1,0]=4 492 B13R1.446 CCC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12169 [0,2,0,0,0,0|1,1,0]=4 493 B13R1.446 CCC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12932 [0,2,0,0,0,0|1,1,0]=4 494 B13R1.446 CCC[C@H](N)C1=C(F)C=CC(Br)=C1 Y12949 [0,2,0,0,0,0|1,1,0]=4 495 B13R1.446 CCC[C@H](N)C1=C(O)C=CC(F)=C1 Y11996 [0,2,0,0,0,0|1,1,0]=4 496 B13R1.446 CCC[C@H](N)C1=C(O)C=CC(F)=C1 Y11997 [0,2,0,0,0,0|1,1,0]=4 497 B13R1.446 CCC[C@H](N)C1=C(O)C=CC(F)=C1 Y13006 [0,2,0,0,0,0|1,1,0]=4 498 B13R1.450 CCC[C@H](N)C1=CC(Br)=CC(F)=C1 Y12544 [0,2,0,0,0,0|1,1,0]=4 499 B13R1.450 CCC[C@H](N)C1=CC(Br)=CC(F)=C1 Y12545 [0,2,0,0,0,0|1,1,0]=4 500 B13R1.450 CCC[C@H](N)C1=CC(Br)=CC(F)=C1 Y12859 [0,2,0,0,0,0|1,1,0]=4 501 B13R1.466 O[C@@H](CCCl)C1=CC(Cl)=C(Cl)C=C1 58148 [0,2,0,0,0,0|2,0,0]=4 502 B13R1.6 CCCCCCC1=CC=CC(N)=C1 F18190 [0,2,0,0,0,0|2,0,0]=4 503 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 Y10606 [0,2,0,0,0,0|2,0,0]=4 504 B13R1.15 COC(=O)CCC1=CC=CC(F)=C1 AB9718 [0,2,0,0,0,0|1,1,0]=4 505 B13R1.149 CC(=O)NCCC1=CC(O)=CC=C1 F19957 [0,2,0,0,0,0|1,0,0]=3 506 B13R1.149 CN(C)CCOC1=CC=CC(Br)=C1 29755 [0,2,0,0,0,0|0,1,0]=3 507 B13R1.149 O=C(O)CCOC1=CC=CC(Cl)=C1 AC1669 [0,2,0,0,0,0|2,0,0]=4 508 B13R1.666 COCCOC1=CC(C#N)=CC=C1 I11648 [0,2,0,0,0,0|2,0,0]=4 509 B13R1.81 COC(=O)CC1=CC=CC(CCl)=C1 A50736 [0,2,0,0,0,0|1,0,1]=4 510 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O Y10908 [0,2,0,0,0,0|2,0,0]=4 511 B13R1.2879 COC(=O)CC1=CC(Cl)=C(O)C=C1 50177 [0,2,0,0,0,0|1,0,1]=4 512 B13R1.3420 CC(=O)COC1=CC(Cl)=CC(Cl)=C1 F50431 [0,2,0,0,0,0|2,0,0]=4 513 B13R1.893 O=C(O)CCC1=C(F)C=CC(Cl)=C1 F52874 [0,2,0,0,0,0|2,0,0]=4 514 B13R1.893 O=C(O)CCC1=C(O)C=CC(Cl)=C1 I11661 [0,2,0,0,0,0|2,0,0]=4 515 B11R1.29 CNCCC(=O)C1=CC=CS1 C76025 [0,0,1,1,0,0|2,0,0]=4 516 B11R1.605 CNCC1=C(Cl)C=CC=C1Cl 23581 [0,0,1,1,0,0|1,0,1]=4 517 B11R2.35 BrC1=CC(C2CC2)=NC=C1 84229 [1,0,0,1,0,0|1,1,0]=4 518 B11R2.35 BrC1=CN=CC(C2CC2)=C1 F15531 [1,0,0,1,0,0|1,1,0]=4 519 B11R2.35 BrC1=NC=CC(C2CC2)=C1 AB21162 [1,0,0,1,0,0|1,1,0]=4 520 B11R2.35 ClC1=NC(C2CC2)=CC=N1 AT12434 [1,0,0,1,0,0|2,0,0]=4 521 B11R2.35 ClC1=NC(C2CC2)=NC=C1 55124 [1,0,0,1,0,0|2,0,0]=4 522 B11R2.35 ClC1=NC=CC(C2CC2)=C1 P11357 [1,0,0,1,0,0|1,0,0]=3 523 B11R2.35 NC1=CC(C2CC2)=CC=C1 C75291 [1,0,0,1,0,0|1,0,0]=3 524 B11R2.35 NC1=NC=CC(C2CC2)=C1 80941 [1,0,0,1,0,0|2,0,0]=4 525 B11R2.36 BrC1=CC2=C(C=C1)CCC2 Y10449 [1,0,0,1,0,0|0,1,0]=3 526 B11R2.36 BrC1=CC2=C(C=C1)CCN2 73495 [1,0,0,1,0,0|1,1,0]=4 527 B11R2.36 BrC1=CC2=C(C=C1)COC2 71931 [1,0,0,1,0,0|1,1,0]=4 528 B11R2.36 BrC1=CN=C2CCCC2=C1 81986 [1,0,0,1,0,0|1,1,0]=4 529 B11R2.36 BrC1=CN=C2CNCC2=C1 38863 [1,0,0,1,0,0|1,1,0]=4 530 B11R2.36 BrC1=CN=C2CNCC2=C1 68941 [1,0,0,1,0,0|1,1,0]=4 531 B11R2.36 BrC1=NC2=C(C=C1)NCC2 C72057 [1,0,0,1,0,0|1,1,0]=4 532 B11R2.36 BrC1=NC=C2CNCC2=C1 P17924 [1,0,0,1,0,0|1,1,0]=4 533 B11R2.36 CC1=CC2=C(C=C1)CCC2 Y11729 [1,0,0,1,0,0|1,0,0]=3 534 B11R2.36 ClC1=CC2=C(C=C1)CC=C2 53583 [1,0,0,1,0,0|0,0,2]=4 535 B11R2.36 ClC1=CC2=C(C=C1)CCC2 N12723 [1,0,0,1,0,0|0,0,0]=2 536 B11R2.36 ClC1=CC2=C(C=C1)CCN2 F11859 [1,0,0,1,0,0|1,0,0]=3 537 B11R2.36 ClC1=CC2=C(C=C1)CNC2 AB6849 [1,0,0,1,0,0|0,0,0]=2 538 B11R2.36 ClC1=CC2=C(C=C1)OCC2 W17536 [1,0,0,1,0,0|1,0,0]=3 539 B11R2.36 ClC1=CC2=C(C=CC2)C=C1 F13902 [1,0,0,1,0,0|0,0,2]=4 540 B11R2.36 ClC1=CN=C2NCCC2=C1 C71466 [1,0,0,1,0,0|1,0,0]=3 541 B11R2.36 ClC1=NC2=C(C=C1)CCO2 D78959 [1,0,0,1,0,0|2,0,0]=4 542 B11R2.36 ClC1=NC2=C(C=C1)CNC2 FD7109 [1,0,0,1,0,0|1,0,0]=3 543 B11R2.36 ClC1=NC2=C(C=C1)CNC2 P12647 [1,0,0,1,0,0|1,0,0]=3 544 B11R2.36 ClC1=NC2=C(C=N1)CCC2 P18611 [1,0,0,1,0,0|2,0,0]=4 545 B11R2.36 ClC1=NC=C2CCNC2=C1 87198 [1,0,0,1,0,0|2,0,0]=4 546 B11R2.36 ClC1=NC=C2CNCC2=C1 P16613 [1,0,0,1,0,0|1,0,0]=3 547 B11R2.36 ClC1=NC=C2NCCC2=C1 F18600 [1,0,0,1,0,0|1,0,0]=3 548 B11R2.36 FC1=CC2=C(C=C1)CCN2 F21334 [1,0,0,1,0,0|1,1,0]=4 549 B11R2.36 FC1=CC2=C(C=C1)CCO2 Y13232 [1,0,0,1,0,0|1,1,0]=4 550 B11R2.36 FC1=CN=C2CNCC2=C1 P12657 [1,0,0,1,0,0|1,1,0]=4 551 B11R2.36 FC1=CN=C2NCCC2=C1 P20984 [1,0,0,1,0,0|1,1,0]=4 552 B11R2.36 NC1=CC2=C(C=C1)CCO2 F12399 [1,0,0,1,0,0|2,0,0]=4 553 B11R2.36 NC1=CC2=C(C=C1)CNC2 AB9521 [1,0,0,1,0,0|1,0,0]=3 554 B11R2.36 O=C1C=CC2=C(CCC2)N1 83506 [1,0,0,1,0,0|2,0,0]=4 555 B11R2.36 OC1=CC2=C(C=C1)CCN2 C75271 [1,0,0,1,0,0|2,0,0]=4 556 B11R2.36 OC1=CC2=C(C=C1)CCO2 27138 [1,0,0,1,0,0|2,0,0]=4 557 B11R2.36 OC1=CC2=C(C=C1)CNC2 20927 [1,0,0,1,0,0|1,0,0]=3 558 B11R2.36 OC1=CC2=C(C=C1)CNC2 52281 [1,0,0,1,0,0|1,0,0]=3 559 B11R2.36 OC1=CC2=C(C=C1)CNC2 52301 [1,0,0,1,0,0|1,0,0]=3 560 B11R2.36 OC1=CC2=C(C=C1)OCC2 24188 [1,0,0,1,0,0|2,0,0]=4 561 B11R2.106 BrC1=C2CCCC2=CC=C1 38090 [1,0,0,1,0,0|0,1,0]=3 562 B11R2.106 CC1=C2CCCC2=CC=C1 Y11654 [1,0,0,1,0,0|1,0,0]=3 563 B11R2.106 ClC1=C2CC=CC2=CC=C1 C75442 [1,0,0,1,0,0|0,0,2]=4 564 B11R2.106 ClC1=C2CCCC2=NC=C1 85955 [1,0,0,1,0,0|1,0,0]=3 565 B11R2.106 ClC1=C2CCNC2=NC=C1 P15393 [1,0,0,1,0,0|2,0,0]=4 566 B11R2.106 ClC1=C2CCOC2=CC=C1 52389 [1,0,0,1,0,0|1,0,0]=3 567 B11R2.106 ClC1=C2CNCC2=CC=C1 SC1314 [1,0,0,1,0,0|0,0,0]=2 568 B11R2.106 ClC1=C2NN=NC2=CC=C1 C76113 [1,0,0,1,0,0|2,0,0]=4 569 B11R2.106 ClC1=NC=CC2=C1CCN2 38710 [1,0,0,1,0,0|2,0,0]=4 570 B11R2.106 ClC1=NC=CC2=C1CCN2 83058 [1,0,0,1,0,0|2,0,0]=4 571 B11R2.106 ClC1=NC=CC2=C1CNC2 D97048 [1,0,0,1,0,0|1,0,0]=3 572 B11R2.106 ClC1=NC=NC2=C1CNC2 P17445 [1,0,0,1,0,0|2,0,0]=4 573 B11R2.106 FC1=C2CCCC2=CC=C1 Y12594 [1,0,0,1,0,0|0,1,0]=3 574 B11R2.106 IC1=C2CCCC2=CC=C1 N13267 [1,0,0,1,0,0|0,1,0]=3 575 B11R2.106 NC1=C2CCCC2=NC=C1 27386 [1,0,0,1,0,0|2,0,0]=4 576 B11R2.106 NC1=C2NCCC2=CC=C1 AC5784 [1,0,0,1,0,0|1,0,0]=3 577 B11R2.106 NC1=C2OCCC2=CC=C1 Y10505 [1,0,0,1,0,0|2,0,0]=4 578 B11R2.106 NC1=CC=CC2=C1CCN2 O11831 [1,0,0,1,0,0|2,0,0]=4 579 B11R2.106 NC1=CC=CC2=C1CNC2 62888 [1,0,0,1,0,0|1,0,0]=3 580 B11R2.106 NC1=CC=CC2=C1CNC2 C90573 [1,0,0,1,0,0|1,0,0]=3 581 B11R2.106 OC1=C2CCNC2=CC=C1 76585 [1,0,0,1,0,0|2,0,0]=4 582 B11R2.106 OC1=C2NCCC2=CC=C1 D82764 [1,0,0,1,0,0|1,0,0]=3 583 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [1,0,0,1,0,0|1,0,1]=4 584 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [1,0,0,1,0,0|1,0,1]=4 585 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [1,0,0,1,0,0|0,0,0]=2 586 B11R2.1 CN1N=CC2=C1C=CC=C2 P10138 [1,0,0,1,0,0|1,0,1]=4 587 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [1,0,0,1,0,0|2,0,0]=4 588 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 I11746 [1,0,0,1,0,0|2,0,0]=4 589 B11R2.1 NN1CCC2=C1C=CC=C2 C90200 [1,0,0,1,0,0|1,0,0]=3 590 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [1,0,0,1,0,0|2,0,0]=4 591 B11R2.4 NC1CC1C2=CC=CC=C2 P17182 [1,0,0,1,0,0|2,0,0]=4 592 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15693 [1,0,0,1,0,0|2,0,0]=4 593 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15694 [1,0,0,1,0,0|2,0,0]=4 594 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 D94291 [1,0,0,1,0,0|2,0,0]=4 595 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P16183 [1,0,0,1,0,0|2,0,0]=4 596 B11R2.4 OC1CC1C2=CC=CC=C2 F50832 [1,0,0,1,0,0|2,0,0]=4 597 B11R2.20 C1=CC2=C(C=C1)CCN=C2 F12436 [1,0,0,1,0,0|0,0,2]=4 598 B11R2.20 C1=CC2=C(C=N1)CCNC2 27429 [1,0,0,1,0,0|1,0,0]=3 599 B11R2.20 C1=CC2=C(C=N1)CCNC2 F52150 [1,0,0,1,0,0|1,0,0]=3 600 B11R2.20 C1=CC2=C(C=N1)CNCC2 67415 [1,0,0,1,0,0|1,0,0]=3 601 B11R2.20 C1=CN=C2CNCCC2=C1 67455 [1,0,0,1,0,0|1,0,0]=3 602 B11R2.20 C1=NC=C2CCNCC2=N1 P13445 [1,0,0,1,0,0|2,0,0]=4 603 B11R2.20 C1=NC=C2CNCCC2=N1 24629 [1,0,0,1,0,0|2,0,0]=4 604 B11R2.20 C1=NC=C2CNCCC2=N1 35879 [1,0,0,1,0,0|2,0,0]=4 605 B11R2.20 C1=NC=C2CNCCC2=N1 SC2801 [1,0,0,1,0,0|2,0,0]=4 606 B11R2.239 C1=CC(C2CNC2)=CC=N1 84193 [1,0,0,1,0,0|1,0,0]=3 607 B11R2.239 C1=CC(C2CNC2)=NC=N1 59757 [1,0,0,1,0,0|2,0,0]=4 608 B11R2.239 C1=CC=C(C2CNC2)C=C1 84171 [1,0,0,1,0,0|0,0,0]=2 609 B11R2.239 C1=CC=C(C2COC2)C=C1 F51875 [1,0,0,1,0,0|1,0,0]=3 610 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 C90175 [1,0,0,1,0,0|2,0,0]=4 611 B11R2.239 C1=CN=C(C2CNC2)C=C1 85626 [1,0,0,1,0,0|1,0,0]=3 612 B11R2.239 C1=CN=C(C2CNC2)N=C1 89301 [1,0,0,1,0,0|2,0,0]=4 613 B11R2.239 C1=CN=CC(C2CNC2)=C1 84095 [1,0,0,1,0,0|1,0,0]=3 614 B11R2.239 C1=NC=C(C2CNC2)C=N1 85627 [1,0,0,1,0,0|2,0,0]=4 615 B11R2.10 BrC1=CC2=C(CCNC2)S1 FD10590 [0,0,0,1,1,0|1,1,0]=4 616 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 I11170 [0,1,0,1,0,0|1,1,0]=4 617 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 I11171 [0,1,0,1,0,0|1,1,0]=4 618 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 I11305 [0,1,0,1,0,0|1,1,0]=4 619 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 N10478 [0,1,0,1,0,0|1,1,0]=4 620 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 N10480 [0,1,0,1,0,0|1,1,0]=4 621 B13R2.13 BrC1=CC([C@H]2CCNC2)=CC=C1 28159 [0,1,0,1,0,0|0,1,0]=3 622 B13R2.13 BrC1=CC([C@H]2CCNC2)=CC=C1 65768 [0,1,0,1,0,0|0,1,0]=3 623 B13R2.13 ClC1=CC(N2CCCC2)=NC=C1 79211 [0,1,0,1,0,0|2,0,0]=4 624 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 N10479 [0,1,0,1,0,0|1,0,0]=3 625 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 N12897 [0,1,0,1,0,0|1,0,0]=3 626 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 Y10468 [0,1,0,1,0,0|1,0,0]=3 627 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 23431 [0,1,0,1,0,0|1,1,0]=4 628 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 31645 [0,1,0,1,0,0|1,1,0]=4 629 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 N10969 [0,1,0,1,0,0|1,1,0]=4 630 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 Y11221 [0,1,0,1,0,0|1,1,0]=4 631 B13R2.13 FC1=CC([C@H]2CCNC2)=CC=C1 65765 [0,1,0,1,0,0|0,1,0]=3 632 B13R2.13 NC1=CC=CC([C@@H]2CCCN2)=C1 Y10874 [0,1,0,1,0,0|2,0,0]=4 633 B13R2.13 NC1=CC=CC([C@@H]2CCCN2)=C1 Y11079 [0,1,0,1,0,0|2,0,0]=4 634 B13R2.13 OC1=CC([C@@H]2CCCN2)=CC=C1 N11374 [0,1,0,1,0,0|2,0,0]=4 635 B13R2.13 OC1=CC([C@@H]2CCCN2)=CC=C1 Y11469 [0,1,0,1,0,0|2,0,0]=4 636 B13R2.13 OC1=CC([C@@H]2CCCN2)=CC=C1 Y13338 [0,1,0,1,0,0|2,0,0]=4 637 B13R2.151 O=C1CC(C2=CC=CC(Br)=C2)C1 91866 [0,1,0,1,0,0|1,1,0]=4 638 B13R2.151 O=C1CC(C2=CC=CC(Cl)=C2)C1 91865 [0,1,0,1,0,0|1,0,0]=3 639 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N F16916 [0,1,0,1,0,0|2,0,0]=4 640 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N I11947 [0,1,0,1,0,0|2,0,0]=4 641 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N I11948 [0,1,0,1,0,0|2,0,0]=4 642 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N N10490 [0,1,0,1,0,0|2,0,0]=4 643 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N N13165 [0,1,0,1,0,0|2,0,0]=4 644 B13R2.162 C[C@H]1CCNC2=C1C=C(Cl)C=C2 W16322 [0,1,0,1,0,0|2,0,0]=4 645 B13R2.162 C[C@H]1CNCC2=C1C=C(Cl)C=C2 AC8238 [0,1,0,1,0,0|0,0,0]=2 646 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 33471 [0,1,0,1,0,0|1,1,0]=4 647 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 F16987 [0,1,0,1,0,0|1,1,0]=4 648 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 I10660 [0,1,0,1,0,0|1,1,0]=4 649 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 N11010 [0,1,0,1,0,0|1,1,0]=4 650 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 Y10698 [0,1,0,1,0,0|1,1,0]=4 651 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 Y11204 [0,1,0,1,0,0|1,1,0]=4 652 B13R2.162 N[C@H]1CCCC2=C1C=C(Cl)C=C2 74742 [0,1,0,1,0,0|1,0,0]=3 653 B13R2.162 N[C@H]1CCCC2=C1C=C(Cl)C=C2 Y13381 [0,1,0,1,0,0|1,0,0]=3 654 B13R2.162 N[C@H]1CCCC2=C1C=C(F)C=C2 I11949 [0,1,0,1,0,0|1,1,0]=4 655 B13R2.162 N[C@H]1CCCC2=C1C=C(F)C=C2 N13163 [0,1,0,1,0,0|1,1,0]=4 656 B13R2.162 N[C@H]1CCOC2=C1C=C(Cl)C=C2 I11329 [0,1,0,1,0,0|2,0,0]=4 657 B13R2.162 N[C@H]1CCOC2=C1C=C(Cl)C=C2 I11332 [0,1,0,1,0,0|2,0,0]=4 658 B13R2.162 N[C@H]1CCOC2=C1C=C(Cl)C=C2 I11430 [0,1,0,1,0,0|2,0,0]=4 659 B13R2.162 N[C@H]1CCOC2=C1C=C(Cl)C=C2 I11940 [0,1,0,1,0,0|2,0,0]=4 660 B13R2.162 N[C@H]1COCC2=C1C=C(Br)C=C2 SC2401 [0,1,0,1,0,0|1,1,0]=4 661 B13R2.162 O=C1CCC2=CC=CC(Br)=C2C1 F12566 [0,1,0,1,0,0|1,1,0]=4 662 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2C1 Y10481 [0,1,0,1,0,0|1,0,0]=3 663 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2N1 F16859 [0,1,0,1,0,0|2,0,0]=4 664 B13R2.162 O=C1CCC2=CC=CC(F)=C2C1 N10442 [0,1,0,1,0,0|1,1,0]=4 665 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N N11006 [0,1,0,1,0,0|2,0,0]=4 666 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N N11007 [0,1,0,1,0,0|2,0,0]=4 667 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N Y11342 [0,1,0,1,0,0|2,0,0]=4 668 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N Y13380 [0,1,0,1,0,0|2,0,0]=4 669 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 F16968 [0,1,0,1,0,0|1,1,0]=4 670 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 I10659 [0,1,0,1,0,0|1,1,0]=4 671 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 I10755 [0,1,0,1,0,0|1,1,0]=4 672 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 Y10699 [0,1,0,1,0,0|1,1,0]=4 673 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 Y11052 [0,1,0,1,0,0|1,1,0]=4 674 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10392 [0,1,0,1,0,0|1,0,0]=3 675 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10723 [0,1,0,1,0,0|1,0,0]=3 676 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10724 [0,1,0,1,0,0|1,0,0]=3 677 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10818 [0,1,0,1,0,0|1,0,0]=3 678 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10819 [0,1,0,1,0,0|1,0,0]=3 679 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 N10491 [0,1,0,1,0,0|1,1,0]=4 680 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 N11008 [0,1,0,1,0,0|1,1,0]=4 681 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 Y10882 [0,1,0,1,0,0|1,1,0]=4 682 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 Y10920 [0,1,0,1,0,0|1,1,0]=4 683 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 Y11819 [0,1,0,1,0,0|1,1,0]=4 684 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 Y12018 [0,1,0,1,0,0|1,1,0]=4 685 B13R2.342 N[C@H]1CCOC2=C(Cl)C=CC=C21 I11330 [0,1,0,1,0,0|2,0,0]=4 686 B13R2.342 N[C@H]1CCOC2=C(Cl)C=CC=C21 I11334 [0,1,0,1,0,0|2,0,0]=4 687 B13R2.342 N[C@H]1CCOC2=C(Cl)C=CC=C21 I11433 [0,1,0,1,0,0|2,0,0]=4 688 B13R2.342 N[C@H]1CCOC2=C(Cl)C=CC=C21 Y10799 [0,1,0,1,0,0|2,0,0]=4 689 B13R2.342 N[C@H]1CCOC2=C(Cl)C=CC=C21 Y13297 [0,1,0,1,0,0|2,0,0]=4 690 B13R2.342 O[C@H]1CCCC2=C(Br)C=CC=C21 32335 [0,1,0,1,0,0|1,1,0]=4 691 B13R2.3018 NC1(C2=CC=CC(Br)=C2)CCC1 28205 [0,1,0,1,0,0|1,1,0]=4 692 B13R2.3018 NC1(C2=CC=CC(Br)=C2)COC1 32845 [0,1,0,1,0,0|1,1,0]=4 693 B13R2.3018 NC1(C2=CC=CC(Cl)=C2)COC1 59773 [0,1,0,1,0,0|1,0,0]=3 694 B13R2.3018 NC1(C2=CC=CC(F)=C2)COC1 39055 [0,1,0,1,0,0|1,1,0]=4 695 B13R2.3018 OC1(C2=CC=CC(Br)=C2)CCC1 92301 [0,1,0,1,0,0|1,1,0]=4 696 B13R2.3018 OC1(C2=CC=CC(Br)=C2)COC1 CS2244 [0,1,0,1,0,0|1,1,0]=4 697 B13R2.5187 CN1N=C(Br)C2=C1C=CC(Cl)=C2 P19916 [0,1,0,1,0,0|1,0,1]=4 698 B13R2.5187 CN1N=C(N)C2=C1C=CC(Cl)=C2 89913 [0,1,0,1,0,0|1,0,1]=4 699 B13R2.5324 N[C@H](C1=CC=CC(Cl)=C1)C2CC2 Y11736 [0,1,0,1,0,0|1,0,0]=3 700 B13R2.5324 N[C@H](C1=CC=CC(Cl)=C1)C2CC2 Y13374 [0,1,0,1,0,0|1,0,0]=3 701 B13R2.32 CC1=C(Br)C=CC2=C1CNCC2 P18325 [0,1,0,1,0,0|1,0,0]=3 702 B13R2.32 CC1=C(O)C=CC2=C1CCNC2 54032 [0,1,0,1,0,0|1,0,0]=3 703 B13R2.32 FC1=C(Br)C=CC2=C1CCNC2 W10907 [0,1,0,1,0,0|0,1,0]=3 704 B13R2.3022 FC1=C(F)C(C2CNC2)=CC=C1 85619 [0,1,0,1,0,0|0,1,0]=3 705 B13R2.4820 BrC1=C2CCCCNC2=CC=C1 69218 [0,1,0,1,0,0|1,1,0]=4 706 B13R2.4820 ClC1=C2NCCNCC2=CC=C1 57708 [0,1,0,1,0,0|2,0,0]=4 707 B13R2.5180 N[C@H]1CCC2=C1C=CC(Cl)=C2Cl Y11816 [0,1,0,1,0,0|2,0,0]=4 708 B13R2.5180 O=C1CCC2=C1C=CC(Cl)=C2Br Y10391 [0,1,0,1,0,0|2,0,0]=4 709 B13R2.5180 O=C1CCC2=C1C=CC(Cl)=C2F 84397 [0,1,0,1,0,0|2,0,0]=4 710 B13R2.662 N#C[C@H]1CCC2=C1C=CC(Cl)=C2 C14589 [0,1,0,1,0,0|1,0,1]=4 711 B13R2.2091 N#C[C@H]1CCC2=CC=CC(Cl)=C21 W14984 [0,1,0,1,0,0|1,0,1]=4 712 B13R2.3729 BrC1=CC2=C(C=C1)CCCCN2 C73896 [0,1,0,1,0,0|1,1,0]=4 713 B13R2.3729 BrC1=CC2=C(C=C1)CCCNC2 51213 [0,1,0,1,0,0|1,1,0]=4 714 B13R2.3729 BrC1=CC2=C(C=C1)CNCCO2 70792 [0,1,0,1,0,0|0,1,0]=3 715 B13R2.3729 ClC1=CC2=C(C=C1)NCCCC2 C15554 [0,1,0,1,0,0|1,0,0]=3 716 B13R2.3729 ClC1=CC2=C(C=C1)NCCNC2 57776 [0,1,0,1,0,0|2,0,0]=4 717 B13R2.3729 NC1=CC2=C(C=C1)CNCCN2 66605 [0,1,0,1,0,0|1,0,0]=3 718 B13R2.4818 CC1=CC=CC2=C1C(=O)NCC2 W15862 [0,1,0,1,0,0|1,0,1]=4 719 B13R2.4818 N[C@H]1CCCC2=CC=CC(F)=C21 Y10845 [0,1,0,1,0,0|1,1,0]=4 720 B13R2.4818 O=C1CCCC2=CC=CC(Cl)=C12 58275 [0,1,0,1,0,0|1,0,1]=4 721 B13R2.4818 O=C1CCNC2=CC=CC(Cl)=C12 Y10805 [0,1,0,1,0,0|2,0,0]=4 722 B13R2.4818 O=C1CCOC2=CC=CC(Cl)=C12 Y12176 [0,1,0,1,0,0|2,0,0]=4 723 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NCC2 Y11141 [0,1,0,1,0,0|1,0,1]=4 724 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NCC2 Y11355 [0,1,0,1,0,0|1,0,1]=4 725 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 I11951 [0,1,0,1,0,0|2,0,0]=4 726 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 I11952 [0,1,0,1,0,0|2,0,0]=4 727 B13R2.5179 CN1CCOC2=C1C=CC(N)=C2 87697 [0,1,0,1,0,0|1,0,0]=3 728 B13R2.5179 CN1CCOC2=C1C=CC(N)=C2 D72053 [0,1,0,1,0,0|1,0,0]=3 729 B13R2.5179 N[C@H]1CCC2=C(O)C=CC=C2C1 D85475 [0,1,0,1,0,0|2,0,0]=4 730 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 67304 [0,1,0,1,0,0|1,1,0]=4 731 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 D81338 [0,1,0,1,0,0|1,1,0]=4 732 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 Y10359 [0,1,0,1,0,0|1,1,0]=4 733 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 Y12097 [0,1,0,1,0,0|1,1,0]=4 734 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 I11879 [0,1,0,1,0,0|1,0,0]=3 735 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 N10533 [0,1,0,1,0,0|1,0,0]=3 736 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 N11392 [0,1,0,1,0,0|1,0,0]=3 737 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 Y10726 [0,1,0,1,0,0|1,0,0]=3 738 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 Y10727 [0,1,0,1,0,0|1,0,0]=3 739 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 Y10728 [0,1,0,1,0,0|1,0,0]=3 740 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 I10625 [0,1,0,1,0,0|1,1,0]=4 741 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 I10731 [0,1,0,1,0,0|1,1,0]=4 742 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 I11877 [0,1,0,1,0,0|1,1,0]=4 743 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 N13115 [0,1,0,1,0,0|1,1,0]=4 744 B13R2.5179 N[C@H]1CCCC2=C1C=CC(O)=C2 I10881 [0,1,0,1,0,0|2,0,0]=4 745 B13R2.5179 N[C@H]1CCNC2=C1C=CC(Cl)=C2 D94478 [0,1,0,1,0,0|2,0,0]=4 746 B13R2.5179 N[C@H]1CCOC2=C1C=CC(Cl)=C2 Y11429 [0,1,0,1,0,0|2,0,0]=4 747 B13R2.5179 N[C@H]1CCOC2=C1C=CC(Cl)=C2 Y11430 [0,1,0,1,0,0|2,0,0]=4 748 B13R2.5179 N[C@H]1CCOC2=C1C=CC(Cl)=C2 Y12617 [0,1,0,1,0,0|2,0,0]=4 749 B13R2.5179 O=C1CC2=CC=CC(Br)=C2CN1 F53178 [0,1,0,1,0,0|0,1,1]=4 750 B13R2.5179 O=C1CCC2=C(Cl)C=CC=C2C1 S11508 [0,1,0,1,0,0|1,0,1]=4 751 B13R2.5179 O=C1CCNC2=C1C=CC(Cl)=C2 F12587 [0,1,0,1,0,0|2,0,0]=4 752 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=C2 34654 [0,1,0,1,0,0|0,0,1]=3 753 B13R2.5179 O[C@H]1CCCC2=C1C=CC(F)=C2 N12651 [0,1,0,1,0,0|1,1,0]=4 754 B13R2.5179 O[C@H]1CCOC2=C1C=CC(Cl)=C2 C11034 [0,1,0,1,0,0|2,0,0]=4 755 B13R2.5331 OC1=CC=CC(OCC2CC2)=C1 W19104 [0,1,0,1,0,0|2,0,0]=4 756 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 AB10494 [0,1,0,1,0,0|1,1,0]=4 757 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 F14427 [0,1,0,1,0,0|1,1,0]=4 758 B13R2.155 N[C@H]1CCC2=C(C=C(F)C=C2)C1 N10462 [0,1,0,1,0,0|1,1,0]=4 759 B13R2.155 N[C@H]1CCC2=C(C=C(F)C=C2)C1 Y10675 [0,1,0,1,0,0|1,1,0]=4 760 B13R2.155 O=C1CC2=C(C=CC(Br)=C2)CN1 F53175 [0,1,0,1,0,0|0,1,1]=4 761 B13R2.4856 CN1C(=O)CC2=CC=CC(Br)=C21 82390 [0,1,0,1,0,0|0,1,1]=4 762 B13R2.5190 CN1C(=O)CC2=C1C=CC(Br)=C2 BL003989 [0,1,0,1,0,0|0,1,1]=4 763 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 28412 [0,1,0,1,0,0|1,0,1]=4 764 B13R2.5190 CN1C(=O)CC2=C1C=CC(O)=C2 72239 [0,1,0,1,0,0|1,0,1]=4 765 B13R2.140 FC1=CC(F)=CC(C2CNC2)=C1 85622 [0,1,0,1,0,0|0,1,0]=3 766 B13R2.140 FC1=CC(F)=CC(C2COC2)=C1 69847 [0,1,0,1,0,0|1,1,0]=4 767 B13R2.328 ClC1=CC(Cl)=C2CCNCC2=C1 68030 [0,1,0,1,0,0|2,0,0]=4 768 B13R2.328 ClC1=CC(Cl)=C2CCNCC2=C1 84340 [0,1,0,1,0,0|2,0,0]=4 769 B13R2.328 ClC1=CC(Cl)=NC2=C1CCCC2 39107 [0,1,0,1,0,0|2,0,0]=4 770 B13R2.328 ClC1=NC(Cl)=C2CNCCC2=N1 CS1452 [0,1,0,1,0,0|2,0,0]=4 771 B13R2.328 ClC1=NC(Cl)=C2CNCCC2=N1 SC4051 [0,1,0,1,0,0|2,0,0]=4 772 B13R2.328 FC1=C2OCCCC2=CC(Cl)=C1 Y13345 [0,1,0,1,0,0|2,0,0]=4 773 B13R2.328 FC1=CC(F)=C2CCCCC2=C1 Y13362 [0,1,0,1,0,0|1,1,0]=4 774 B13R2.11642 N[C@H]1CCC2=CC(F)=CC(Cl)=C21 N11391 [0,1,0,1,0,0|2,0,0]=4 775 B13R2.11642 O=C1CCC2=CC(Br)=CC(Cl)=C12 F52763 [0,1,0,1,0,0|2,0,0]=4 776 B13R2.11642 O=C1CCC2=CC(F)=CC(Cl)=C12 F52760 [0,1,0,1,0,0|2,0,0]=4 777 B13R2.11642 O=C1CCC2=CC(O)=CC(Cl)=C12 N10562 [0,1,0,1,0,0|2,0,0]=4 778 B13R2.3108 CC1(C)CNC2=C1C=CC(Cl)=C2 85441 [0,1,0,1,0,0|2,0,0]=4 779 B13R2.3108 C[C@]1(N)CCC2=C1C=CC(Br)=C2 82169 [0,1,0,1,0,0|1,1,0]=4 780 B13R2.3683 CC1=CC2=C(C=C1)CC(=O)CC2 Y11712 [0,1,0,1,0,0|2,0,0]=4 781 B13R2.3683 CN1CCC2=C(C=CC(F)=C2)C1 D80158 [0,1,0,1,0,0|0,1,0]=3 782 B13R2.3683 CN1CCC2=C(C=CC(N)=C2)C1 Y11307 [0,1,0,1,0,0|1,0,0]=3 783 B13R2.3683 CN1CCC2=C(C=CC(O)=C2)C1 F14525 [0,1,0,1,0,0|1,0,0]=3 784 B13R2.3683 C[C@H]1CCC2=C(C=CC(N)=C2)N1 W10064 [0,1,0,1,0,0|2,0,0]=4 785 B13R2.3683 N[C@H]1CCC2=C(C=CC(Br)=C2)C1 20174 [0,1,0,1,0,0|1,1,0]=4 786 B13R2.3683 N[C@H]1CCC2=C(C=CC(Br)=C2)C1 S11530 [0,1,0,1,0,0|1,1,0]=4 787 B13R2.3683 N[C@H]1CCC2=C(C=CC(Cl)=C2)C1 20172 [0,1,0,1,0,0|1,0,0]=3 788 B13R2.3683 N[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11723 [0,1,0,1,0,0|1,1,0]=4 789 B13R2.3683 N[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11805 [0,1,0,1,0,0|1,1,0]=4 790 B13R2.3683 O=C1CCC2=C(C=CC(Cl)=C2)N1 90198 [0,1,0,1,0,0|2,0,0]=4 791 B13R2.3683 O=C1CCC2=C(C=CC(F)=C2)C1 25475 [0,1,0,1,0,0|1,1,0]=4 792 B13R2.3683 O[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11724 [0,1,0,1,0,0|1,1,0]=4 793 B13R2.13023 CC1(C)CNC2=CC=CC(Cl)=C21 51390 [0,1,0,1,0,0|2,0,0]=4 794 B13R2.371 FC1=C2CCCCC2=C(Br)C=C1 D81541 [0,1,0,1,0,0|1,1,0]=4 795 B13R2.371 FC1=C2CCNCC2=C(F)C=C1 11449 [0,1,0,1,0,0|0,1,0]=3 796 B13R2.371 NC1=C2CNCCC2=C(Br)C=C1 C72060 [0,1,0,1,0,0|1,0,0]=3 797 B13R2.5151 CN1C=CC2=C(Br)C=CC(Cl)=C21 W10466 [0,1,0,1,0,0|0,0,2]=4 798 B13R2.5151 O=C1CCC2=C(Cl)C=CC(Cl)=C12 F52751 [0,1,0,1,0,0|2,0,0]=4 799 B13R2.57 OCC1=CC2=C(C=C1)CCCC2 N14351 [0,1,0,1,0,0|2,0,0]=4 800 B13R2.57 OCC1=CC2=C(C=C1)CNCC2 72452 [0,1,0,1,0,0|1,0,0]=3 801 B13R2.1613 BrCC1=C2CCCCC2=CC=C1 32180 [0,1,0,1,0,0|1,1,0]=4 802 B13R2.1613 COC1=C2CCCCC2=CC=C1 72829 [0,1,0,1,0,0|2,0,0]=4 803 B13R2.1613 COC1=C2CNCCC2=CC=C1 W10083 [0,1,0,1,0,0|1,0,0]=3 804 B13R2.1613 OCC1=C2CCCCC2=CC=C1 36389 [0,1,0,1,0,0|2,0,0]=4 805 B13R2.2487 COC1=CC(C2CNC2)=CC=C1 85603 [0,1,0,1,0,0|1,0,0]=3 806 B13R2.2487 N#CC1=CC(C2CNC2)=CC=C1 85628 [0,1,0,1,0,0|1,0,0]=3 807 B13R2.369 CC1=C(Br)C=C2CNCCC2=C1 P18900 [0,1,0,1,0,0|1,0,0]=3 808 B13R2.369 ClC1=C(Cl)C=C2NCCCC2=C1 Y10804 [0,1,0,1,0,0|2,0,0]=4 809 B13R2.369 FC1=C(F)C=C2CNCCC2=C1 FD10690 [0,1,0,1,0,0|0,1,0]=3 810 B13R2.3790 O=C1CCC2=C1C(Cl)=C(Br)C=C2 Y10966 [0,1,0,1,0,0|2,0,0]=4 811 B13R2.3790 O=C1CCC2=C1C(Cl)=C(Cl)C=C2 Y12587 [0,1,0,1,0,0|2,0,0]=4 812 B13R2.3790 O=C1CCC2=C1C(Cl)=C(F)C=C2 D83682 [0,1,0,1,0,0|2,0,0]=4 813 B13R2.11634 O=C1CCC2=CC(Cl)=C(Br)C=C12 I10792 [0,1,0,1,0,0|2,0,0]=4 814 B13R2.11634 O=C1CCC2=CC(Cl)=C(F)C=C12 Y10809 [0,1,0,1,0,0|2,0,0]=4 815 B9R1.7 CC1=CC=C(CCN)S1 29986 [1,0,0,0,1,0|2,0,0]=4 816 B9R1.7 NCCC1=CC(Br)=CS1 AC3072 [1,0,0,0,1,0|1,1,0]=4 817 B9R1.33 CN1C=CC=C1CCN 70855 [1,0,0,0,1,0|2,0,0]=4 818 B9R1.12 COCCN1C=CC=C1 W16108 [1,0,0,0,1,0|2,0,0]=4