0 B12R1.28 BrCCCCC1=CC=CC(Br)=C1 AT22149 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.28 BrCCCOC1=CC=CC(Br)=C1 97812 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.28 CC1=CC=CC(OCCCO)=N1 N10106 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.28 CCCCCC1=CC=CC(=O)O1 T70705 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.28 CCCNCC1=CC(C)=CC=C1 C77940 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.28 CCCNCC1=CC=CC(Br)=C1 C78566 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.28 CCCNCC1=CC=CC(Cl)=C1 C78191 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.28 CCCNCC1=CC=CC(F)=C1 C78563 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.28 ClC1=CC=CC(OCCCBr)=C1 97802 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.28 NC1=CC=CC(OCCCO)=C1 C77805 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.28 OCCCCC1=CC=CC(Br)=C1 AT22147 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.24 BrCCCC1=CC=CC(Br)=C1 C77758 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 C93515 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.24 CCOCC1=CC=CC(Br)=C1 F17773 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.24 CNCCC1=CC=CC(Br)=C1 C78466 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.24 ClC1=CC=CC(CCCBr)=C1 C78574 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.24 NCCCC1=CC=CC(F)=C1 97619 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.24 NCCCC1=CC=CC(N)=C1 C78147 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.24 NCCCC1=CC=CC(O)=C1 C78310 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.28 CCCCNC1=CC=NC=C1 F21501 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.28 CCNCCC1=CC=CC=C1 AC5622 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.28 OCCCCC1=CC=NC=C1 31475 [1,0,0,0,0,0|3,0,0]=4 22 B13R1.6 BrCCCCOC1=CC=CC(Br)=C1 97813 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.6 CCCCNCC1=CC(C)=CC=C1 C78344 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.6 CCCCNCC1=CC=CC(Br)=C1 C78341 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.6 CCCCNCC1=CC=CC(Cl)=C1 C77945 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.6 CCCCNCC1=CC=CC(F)=C1 C78338 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.6 CCOCCOC1=CC=CC(Br)=C1 N11546 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.6 COCCCOC1=CC(N)=CC=C1 F13498 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.6 ClC1=CC=CC(OCCCCBr)=C1 97803 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.18 CCCCC(=O)C1=CC(C)=CC=C1 N13970 [0,1,0,0,0,0|2,0,1]=4 31 B13R1.18 CCCCC(=O)C1=CC=CC(Br)=C1 N13964 [0,1,0,0,0,0|2,0,1]=4 32 B13R1.18 CCCCC(=O)C1=CC=CC(Cl)=C1 N13956 [0,1,0,0,0,0|2,0,1]=4 33 B13R1.18 COCC[C@H](N)C1=CC(C)=CC=C1 N13830 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.18 COCC[C@H](N)C1=CC=CC(Cl)=C1 N13827 [0,1,0,0,0,0|3,0,0]=4 35 B13R1.18 COCC[C@H](N)C1=CC=CC(F)=C1 N13796 [0,1,0,0,0,0|3,0,0]=4 36 B13R1.20 CCCC(=O)CC1=CC(C)=CC=C1 N14167 [0,1,0,0,0,0|2,0,1]=4 37 B13R1.20 CCCC(=O)CC1=CC=CC(Br)=C1 N14159 [0,1,0,0,0,0|2,0,1]=4 38 B13R1.20 CCCC(=O)CC1=CC=CC(Cl)=C1 N14151 [0,1,0,0,0,0|2,0,1]=4 39 B13R1.20 CCCC(=O)CC1=CC=CC(F)=C1 N14138 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.20 CCC[C@H](N)CC1=CC(C)=CC=C1 N14537 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.20 CCC[C@H](N)CC1=CC=CC(Br)=C1 N14533 [0,1,0,0,0,0|2,0,0]=3 42 B13R1.20 CCC[C@H](N)CC1=CC=CC(Cl)=C1 N14528 [0,1,0,0,0,0|2,0,0]=3 43 B13R1.20 CCC[C@H](N)CC1=CC=CC(F)=C1 N14525 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.55 CCCCOC1=CC(F)=CC(F)=C1 75697 [0,1,0,0,0,0|3,0,0]=4 45 B13R1.666 CCCCOC1=CC=CC(C=O)=C1 S11902 [0,1,0,0,0,0|2,0,0]=3 46 B13R1.666 CCCNCC1=CC=CC(OC)=C1 C78449 [0,1,0,0,0,0|2,0,1]=4 47 B13R1.666 CNCCCC1=CC=CC(OC)=C1 C77751 [0,1,0,0,0,0|2,0,1]=4 48 B13R1.666 O=CC1=CC=CC(OCCCBr)=C1 AC4295 [0,1,0,0,0,0|3,0,0]=4 49 B13R1.669 CNCCCC1=CC(F)=C(F)C=C1 C78235 [0,1,0,0,0,0|3,0,0]=4 50 B13R2.13 CC1=CC=CC([C@@H]2CCCN2)=N1 N11020 [0,0,0,1,0,0|3,0,0]=4 51 B13R2.13 CC1=CC=CC([C@H]2CCNC2)=C1 N11129 [0,0,0,1,0,0|3,0,0]=4 52 B13R2.13 ClC1=CC([C@H]2CCNC2)=CC=C1 65735 [0,0,0,1,0,0|3,0,0]=4 53 B13R2.13 ClC1=CC([C@H]2CCNC2)=CC=C1 65737 [0,0,0,1,0,0|3,0,0]=4 54 B13R2.13 ClC1=CC([C@H]2CCNC2)=CC=C1 65767 [0,0,0,1,0,0|3,0,0]=4 55 B13R2.13 ClC1=CC([C@H]2CCNC2)=CC=C1 N10839 [0,0,0,1,0,0|3,0,0]=4 56 B13R2.13 ClC1=NC([C@@H]2CCCN2)=CC=C1 N10912 [0,0,0,1,0,0|3,0,0]=4 57 B13R2.13 FC1=CC([C@H]2CCNC2)=CC=C1 65739 [0,0,0,1,0,0|3,0,0]=4 58 B13R2.13 FC1=CC([C@H]2CCNC2)=CC=C1 65741 [0,0,0,1,0,0|3,0,0]=4 59 B13R2.13 FC1=CC([C@H]2CCNC2)=CC=C1 N11081 [0,0,0,1,0,0|3,0,0]=4 60 B13R2.13 NC1=CC=CC([C@@H]2CCCN2)=C1 N14348 [0,0,0,1,0,0|3,0,0]=4 61 B13R2.13 OC1=CC([C@@H]2CCCN2)=CC=C1 I11612 [0,0,0,1,0,0|2,0,1]=4 62 B13R2.3729 BrC1=CC2=C(C=C1)CCCNC2 D85465 [0,0,0,1,0,0|3,0,0]=4 63 B13R2.3729 BrC1=CC2=C(C=C1)CCCOC2 F52895 [0,0,0,1,0,0|3,0,0]=4 64 B13R2.3729 BrC1=CC2=C(C=C1)NCCCC2 AT10607 [0,0,0,1,0,0|3,0,0]=4 65 B13R2.3729 BrC1=CN=C2CCCCCC2=C1 F30814 [0,0,0,1,0,0|3,0,0]=4 66 B13R2.3729 ClC1=NC2=C(C=C1)CCNCC2 P11147 [0,0,0,1,0,0|3,0,0]=4 67 B13R2.3729 FC1=CC2=C(C=C1)CCCNC2 51232 [0,0,0,1,0,0|3,0,0]=4 68 B13R2.3729 NC1=CC2=C(C=C1)CCCCN2 32131 [0,0,0,1,0,0|3,0,0]=4 69 B13R2.3729 NC1=CN=C2CCCCCC2=C1 F30813 [0,0,0,1,0,0|3,0,0]=4 70 B13R2.3729 NC1=NC2=C(C=N1)CCCCC2 95189 [0,0,0,1,0,0|3,0,0]=4 71 B13R2.3729 OC1=CC2=C(C=C1)CCCNC2 C90439 [0,0,0,1,0,0|2,0,1]=4 72 B13R2.3729 OC1=CC2=C(C=C1)CCNCC2 85919 [0,0,0,1,0,0|2,0,1]=4 73 B13R2.3729 OC1=CC2=C(C=C1)CCNCC2 P20370 [0,0,0,1,0,0|2,0,1]=4 74 B13R2.3729 OC1=CN=C2CCCCCC2=C1 F30815 [0,0,0,1,0,0|2,0,1]=4 75 B13R2.4818 CN1CCCC2=CC=CC(O)=C21 P11599 [0,0,0,1,0,0|2,0,1]=4 76 B13R2.4820 BrC1=C2NCCCCC2=CC=C1 AT10609 [0,0,0,1,0,0|3,0,0]=4 77 B13R2.5179 C[C@@H]1NCCC2=C1C=CC(F)=C2 AT19619 [0,0,0,1,0,0|3,0,0]=4 78 B13R2.5179 C[C@@H]1NCCC2=C1C=CC(F)=C2 AT19620 [0,0,0,1,0,0|3,0,0]=4 79 B13R2.5179 NC1=CC2=C(C=C1)[C@@H](O)CCC2 S11524 [0,0,0,1,0,0|3,0,0]=4 80 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 N12720 [0,0,0,1,0,0|3,0,0]=4 81 B13R2.5179 N[C@H]1CCCC2=C1C=CC(I)=C2 W15956 [0,0,0,1,0,0|3,0,0]=4 82 B13R2.5179 N[C@H]1CCCC2=C1C=CC(O)=C2 N13166 [0,0,0,1,0,0|2,0,1]=4 83 B13R2.5179 O[C@H]1CCCC2=C1C=CC(Cl)=C2 N14446 [0,0,0,1,0,0|3,0,0]=4 84 B13R2.5331 BrC1=NC(NCC2CC2)=CC=C1 D76476 [0,0,0,1,0,0|3,0,0]=4 85 B10R0.91 CCCCC[C@H](O)\C=C\C=O AC8369 [1,0,1,0,0,0|0,0,1]=3 86 B10R0.4 CCCCCC\C=C\C(=O)O A11728 [1,0,1,0,0,0|0,0,1]=3 87 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.17 CCCCC1=CC=CN=N1 O10974 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.17 SCCCC1=NC=CC=C1 F18728 [2,0,0,0,0,0|2,0,0]=4 90 B12R1.50 CC[C@H](N)CC1=CC(C)=CC=C1 N14536 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.50 CC[C@H](N)CC1=CC=CC(Br)=C1 N14532 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.50 CC[C@H](N)CC1=CC=CC(Cl)=C1 N14527 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.50 CC[C@H](N)CC1=CC=CC(F)=C1 N14524 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.385 CCCCC1=CC(N)=C(N)C=C1 F18184 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.1 CCCCOC1=NC=C(Br)C=C1 F19758 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.1 CCCNCC1=CC=C(Br)C=C1 C77919 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.1 CCCNCC1=CC=C(C)C=C1 C78190 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.1 CCCNCC1=CC=C(Cl)C=C1 C78300 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.1 CCCNCC1=CC=C(F)C=C1 C78430 [1,1,0,0,0,0|2,0,0]=4 100 B12R1.1 CNCCCC1=CC=C(Br)C=C1 C78538 [1,1,0,0,0,0|2,0,0]=4 101 B12R1.1 CNCCCC1=CC=C(F)C=C1 C78234 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.8 CCCNCCC1=NC=CC=C1 76839 [1,1,0,0,0,0|1,0,0]=3 103 B12R1.8 CNCCCOC1=CC=CC=C1 C77854 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.30 CCCCC(=O)C1=NC=CC=C1 N12234 [1,1,0,0,0,0|1,0,1]=4 105 B12R1.30 CCCC[C@H](N)C1=CC=NC=C1 N12642 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.30 CCCC[C@H](N)C1=NC=CC=C1 N12541 [1,1,0,0,0,0|1,0,0]=3 107 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 D73857 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92726 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92727 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.252 C[C@H](O)CCCC1=CN=CC=C1 F53169 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AC4615 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AT23036 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 D71911 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.267 BrCCCCC1=C(Br)C=CC=C1 AT22148 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.267 CCCNCC1=C(Br)C=CC=C1 C78484 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.267 CCCNCC1=C(C)C=CC=C1 C78482 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.267 CCCNCC1=C(Cl)C=CC=C1 C78483 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.267 CCCNCC1=C(F)C=CC=C1 C78370 [1,1,0,0,0,0|2,0,0]=4 119 B12R1.267 CCNCCC1=C(F)C=CC=C1 AC6701 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.29 CCCC[C@H](N)C1=CC=C(C)O1 N16753 [0,1,0,0,1,0|1,0,0]=3 121 B12R1.29 CCCC[C@H](N)C1=CC=C(C)O1 N16754 [0,1,0,0,1,0|1,0,0]=3 122 B12R1.29 CCCC[C@H](N)C1=CC=C(C)O1 N16755 [0,1,0,0,1,0|1,0,0]=3 123 B12R1.372 CCCCCCC1=C(Cl)SC=C1 T71352 [0,1,0,0,1,0|2,0,0]=4 124 B14R1.26 BrCCCCCOC1=CC=CC(Br)=C1 97814 [0,2,0,0,0,0|2,0,0]=4 125 B14R1.26 CCCCCCOC1=CC=CC(Br)=C1 31396 [0,2,0,0,0,0|2,0,0]=4 126 B14R1.26 ClC1=CC=CC(OCCCCCBr)=C1 97804 [0,2,0,0,0,0|2,0,0]=4 127 B14R1.34 CCCCC(=O)CC1=CC=CC(Cl)=C1 N14152 [0,2,0,0,0,0|2,0,0]=4 128 B14R1.34 CCCCC(=O)CC1=CC=CC(F)=C1 N14139 [0,2,0,0,0,0|2,0,0]=4 129 B14R1.34 CCCC[C@H](N)CC1=CC=CC(Cl)=C1 N14529 [0,2,0,0,0,0|2,0,0]=4 130 B14R1.34 CCCC[C@H](N)CC1=CC=CC(F)=C1 N14526 [0,2,0,0,0,0|2,0,0]=4 131 B14R1.228 CCCCNCC1=CC=CC(OC)=C1 C78345 [0,2,0,0,0,0|1,0,1]=4 132 B14R1.228 CCCNCCC1=CC=CC(OC)=C1 C78435 [0,2,0,0,0,0|1,0,1]=4 133 B14R1.443 CCCCCCC1=CC(Br)=CC(Br)=C1 T71311 [0,2,0,0,0,0|2,0,0]=4 134 B14R1.16 CCCC[C@H](N)C1=C(C)C(C)=CC=C1 N11367 [0,2,0,0,0,0|2,0,0]=4 135 B14R1.923 CCCC[C@H](N)C1=CC(C)=CC(F)=C1 N11370 [0,2,0,0,0,0|2,0,0]=4 136 B14R1.923 CCCC[C@H](N)C1=CC(F)=CC(F)=C1 N11294 [0,2,0,0,0,0|2,0,0]=4 137 B14R1.941 CCCC[C@H](N)C1=CC(C)=C(C)C=C1 N11170 [0,2,0,0,0,0|2,0,0]=4 138 B14R1.941 CCCC[C@H](N)C1=CC(C)=C(F)C=C1 N11229 [0,2,0,0,0,0|2,0,0]=4 139 B14R1.941 CCCC[C@H](N)C1=CC(Cl)=C(Cl)C=C1 N11187 [0,2,0,0,0,0|2,0,0]=4 140 B14R1.941 CCCC[C@H](N)C1=CC(F)=C(C)C=C1 N11293 [0,2,0,0,0,0|2,0,0]=4 141 B12R2.24 ClC1=CC2=C(C=C1)CCCC2 Y10725 [1,0,0,1,0,0|2,0,0]=4 142 B12R2.2313 OC1=CC(C2CCC2)=CC=C1 97837 [1,0,0,1,0,0|1,0,1]=4 143 B12R2.1 CN[C@H]1CCC2=C1C=CC=C2 AT22267 [1,0,0,1,0,0|2,0,0]=4 144 B12R2.1 NC[C@H]1CCC2=C1C=CC=C2 20176 [1,0,0,1,0,0|2,0,0]=4 145 B12R2.1 OC[C@H]1CCC2=C1C=CC=C2 AC3163 [1,0,0,1,0,0|2,0,0]=4 146 B12R2.2 C1=CN=C(C2CCCC2)C=C1 C91562 [1,0,0,1,0,0|1,0,0]=3 147 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 Y11599 [1,0,0,1,0,0|2,0,0]=4 148 B12R2.27 BrC[C@@H]1C[C@@H]1C2=CC=CC=C2 55233 [1,0,0,1,0,0|2,0,0]=4 149 B12R2.27 BrC[C@H]1C[C@@H]1C2=CC=CC=C2 55239 [1,0,0,1,0,0|2,0,0]=4 150 B12R2.27 OCC1CC1C2=NC=CC=C2 91729 [1,0,0,1,0,0|2,0,0]=4 151 B12R2.27 OC[C@H]1C[C@@H]1C2=NC=CC=C2 91718 [1,0,0,1,0,0|2,0,0]=4 152 B12R2.41 C1=CN=C2CCCCCC2=C1 F53451 [1,0,0,1,0,0|1,0,0]=3 153 B14R2.21 BrC1=CC(C2CCOCC2)=CC=C1 F53155 [0,1,0,1,0,0|2,0,0]=4 154 B14R2.21 BrC1=CC([C@@H]2CCCCN2)=CC=C1 N12925 [0,1,0,1,0,0|2,0,0]=4 155 B14R2.21 CC1=CC=CC([C@@H]2CCCCN2)=C1 N12462 [0,1,0,1,0,0|2,0,0]=4 156 B14R2.21 FC1=CC([C@@H]2CCCCN2)=CC=C1 N12460 [0,1,0,1,0,0|2,0,0]=4 157 B14R2.21 FC1=CC([C@H]2CCCNC2)=CC=C1 C15627 [0,1,0,1,0,0|2,0,0]=4 158 B14R2.21 NC1=CC(C2CCCCC2)=CC=C1 A51201 [0,1,0,1,0,0|2,0,0]=4 159 B14R2.21 NC1=CC=CC(N2CCCCC2)=C1 AC5795 [0,1,0,1,0,0|2,0,0]=4 160 B14R2.21 OC1=CC([C@@H]2CCCCN2)=CC=C1 N15228 [0,1,0,1,0,0|1,0,1]=4 161 B14R2.269 CC1=CC=CC([C@@H]2CCCN2C)=C1 N13843 [0,1,0,1,0,0|2,0,0]=4 162 B14R2.269 CN1CCC[C@H]1C2=CC=CC(Br)=C2 N13841 [0,1,0,1,0,0|2,0,0]=4 163 B14R2.269 CN1CCC[C@H]1C2=CC=CC(F)=C2 N13837 [0,1,0,1,0,0|2,0,0]=4 164 B14R2.4471 NC1(C2=CC=CC(Cl)=C2)CCCC1 F53098 [0,1,0,1,0,0|2,0,0]=4 165 B14R2.4471 NC1(C2=CC=CC(F)=C2)CCCC1 28208 [0,1,0,1,0,0|2,0,0]=4 166 B14R2.4471 NC1(C2=CC=CC(O)=C2)CCCC1 F53140 [0,1,0,1,0,0|1,0,1]=4 167 B14R2.5637 O[C@H]1CCCCC2=C1C=C(Br)C=C2 53987 [0,1,0,1,0,0|2,0,0]=4 168 B14R2.9059 CC1=CC=CC(C[C@H](N)C2CC2)=C1 N14538 [0,1,0,1,0,0|2,0,0]=4 169 B14R2.9059 N[C@@H](CC1=CC=CC(Br)=C1)C2CC2 N14535 [0,1,0,1,0,0|2,0,0]=4 170 B14R2.9059 N[C@@H](CC1=CC=CC(F)=C1)C2CC2 N14522 [0,1,0,1,0,0|2,0,0]=4 171 B10R1.21 CCCCCN1C=CN=C1 AC5153 [1,0,0,0,1,0|2,0,0]=4 172 B10R1.21 OCCNCC1=CC=CO1 F16080 [1,0,0,0,1,0|2,0,0]=4