0 B14R2.5637 O=C1CCCNC2=C1C=C(Cl)C=C2 34648 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.3729 ClC1=CC2=C(C=C1)CNCCN2 57774 [1,0,0,0,0,0|3,0,0]=4 2 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 F14617 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.9 CCCCCCC1=CC=C(Br)C=C1 28501 [0,0,1,0,0,0|1,1,0]=3 4 B13R1.9 CCCCCCC1=CC=C(N)C=C1 O11232 [0,0,1,0,0,0|2,0,0]=3 5 B13R1.9 CCCCCCC1=CC=C(O)C=C1 D90917 [0,0,1,0,0,0|2,0,0]=3 6 B13R2.162 CC1=CC2=C(C=C1)CCCC2=O I10919 [0,0,0,0,1,0|2,0,1]=4 7 B13R2.162 C[C@H]1CCNC2=C1C=C(Br)C=C2 W16321 [0,0,0,0,1,0|1,1,0]=3 8 B13R2.162 NC1=CC2=C(C=C1)CCCC2=O 51450 [0,0,0,0,1,0|2,0,1]=4 9 B13R2.162 NC1=CC2=C(C=C1)CCC[C@@H]2O 31461 [0,0,0,0,1,0|2,0,0]=3 10 B13R2.162 NC1=CC2=C(C=C1)CCNC2=O 34679 [0,0,0,0,1,0|2,0,1]=4 11 B13R2.162 N[C@H]1CCOC2=C1C=C(F)C=C2 26352 [0,0,0,0,1,0|2,1,0]=4 12 B13R2.162 N[C@H]1CCOC2=C1C=C(F)C=C2 32236 [0,0,0,0,1,0|2,1,0]=4 13 B13R2.162 N[C@H]1CCOC2=C1C=C(F)C=C2 32701 [0,0,0,0,1,0|2,1,0]=4 14 B13R2.162 N[C@H]1CCSC2=C1C=C(Br)C=C2 SC1381 [0,0,0,0,1,0|2,1,0]=4 15 B13R2.162 O=C1CCCC2=C1C=C(Br)C=C2 81093 [0,0,0,0,1,0|1,1,1]=4 16 B13R2.162 O=C1CCCC2=C1C=C(Cl)C=C2 52466 [0,0,0,0,1,0|1,0,1]=3 17 B13R2.162 O=C1CCCC2=C1C=C(F)C=C2 25137 [0,0,0,0,1,0|1,1,1]=4 18 B13R2.162 O=C1CCCC2=C1C=C(O)C=C2 29287 [0,0,0,0,1,0|2,0,1]=4 19 B13R2.162 O=C1CCNC2=C1C=C(Cl)C=C2 Y10176 [0,0,0,0,1,0|2,0,1]=4 20 B13R2.162 O=C1CCOC2=C1C=C(Cl)C=C2 I11463 [0,0,0,0,1,0|2,0,1]=4 21 B13R2.162 O=C1NCCC2=C1C=C(Br)C=C2 26366 [0,0,0,0,1,0|1,1,1]=4 22 B13R2.162 O=C1NCCC2=C1C=C(Cl)C=C2 55440 [0,0,0,0,1,0|1,0,1]=3 23 B12R1.1 BrCCCCC1=CC=C(Br)C=C1 D80497 [1,0,1,0,0,0|1,1,0]=4 24 B12R1.1 CCCCCC1=CC=C(Br)C=C1 28615 [1,0,1,0,0,0|0,1,0]=3 25 B12R1.1 CCCCCC1=CC=C(N)C=C1 D88359 [1,0,1,0,0,0|1,0,0]=3 26 B12R1.1 CCCCCC1=CC=C(O)C=C1 27300 [1,0,1,0,0,0|1,0,0]=3 27 B12R1.1 CCCCOC1=CC=C(N)C=C1 D70221 [1,0,1,0,0,0|2,0,0]=4 28 B12R1.1 CCCCOC1=CC=C(O)C=C1 D70503 [1,0,1,0,0,0|2,0,0]=4 29 B12R1.1 ClC1=CC=C(OCCCBr)C=C1 20619 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.1 NCCCOC1=CC=C(Cl)C=C1 AC1674 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.8 BrCCCCCC1=CC=CC=C1 S10028 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.8 CCCCCCC1=CC=CC=C1 65014 [1,0,1,0,0,0|1,0,0]=3 33 B12R1.8 CCCCCCC1=NC=CC=C1 D83986 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.8 CCCCCC[N+]1=CC=CC=C1 D94652 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.8 CCCCNCC1=CC=CC=C1 D88887 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.8 CNCCCCC1=CC=CC=C1 AR1724 [1,0,1,0,0,0|2,0,0]=4 37 B12R1.8 OCCCCCC1=CC=CC=C1 D92109 [1,0,1,0,0,0|2,0,0]=4 38 B12R1.17 CNC[C@H](O)C1=CC=CC(O)=C1 80038 [1,0,1,0,0,0|2,0,0]=4 39 B12R1.17 CNC[C@H](O)C1=CC=CC(O)=C1 D70603 [1,0,1,0,0,0|2,0,0]=4 40 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 11352 [1,0,1,0,0,0|2,0,0]=4 41 B12R2.41 C1=CC2=C(C=C1)CCNCC2 35932 [2,0,0,0,0,0|0,0,0]=2 42 B12R2.41 C1=CC2=C(C=C1)CNCCC2 26520 [2,0,0,0,0,0|2,0,0]=4 43 B12R2.41 C1=CC2=C(C=C1)NCCCC2 28041 [2,0,0,0,0,0|2,0,0]=4 44 B14R1.14 CCCCCCCC1=CC=C(Br)C=C1 F17122 [0,1,1,0,0,0|1,1,0]=4 45 B14R1.14 CCCCCCCC1=CC=C(O)C=C1 F17029 [0,1,1,0,0,0|2,0,0]=4 46 B14R1.14 CCCCCCOC1=CC=C(Br)C=C1 D70349 [0,1,1,0,0,0|1,1,0]=4 47 B14R1.14 CCCCCCOC1=CC=C(N)C=C1 E10186 [0,1,1,0,0,0|2,0,0]=4 48 B14R1.14 CCCCCCOC1=CC=C(O)C=C1 D90871 [0,1,1,0,0,0|2,0,0]=4 49 B14R1.677 C[C@H](Cl)CNCCC1=CC=C(Cl)C=C1 C10767 [0,1,1,0,0,0|0,0,0]=2 50 B14R1.774 CCCCCCC1=C(O)C=C(O)C=C1 76123 [0,1,1,0,0,0|2,0,0]=4 51 B14R1.776 C#CC1=CC=C(CCCCCC)C=C1 D90543 [0,1,1,0,0,0|2,0,0]=4 52 B14R2.4536 CC1(C)CCNC2=C1C=C(Br)C=C2 SC2851 [0,1,0,0,1,0|1,1,0]=4 53 B14R2.68 BrC1=CC=C(C2CCCCC2)C=C1 57014 [0,0,1,1,0,0|1,1,0]=4 54 B14R2.68 BrC1=CC=C([C@@H]2CNCCN2)C=C1 23907 [0,0,1,1,0,0|1,1,0]=4 55 B14R2.68 ClC1=CC=C(C2CCNCC2)C=C1 58248 [0,0,1,1,0,0|2,0,0]=4 56 B14R2.68 ClC1=CC=C([C@@H]2CNCCN2)C=C1 57458 [0,0,1,1,0,0|1,0,0]=3 57 B14R2.68 FC1=CC=C([C@@H]2CNCCO2)C=C1 AR1112 [0,0,1,1,0,0|1,1,0]=4 58 B14R2.68 NC1=CC=C(C2CCCCC2)C=C1 H10453 [0,0,1,1,0,0|2,0,0]=4 59 B14R2.68 OC1=CC=C(C2CCCCC2)C=C1 22316 [0,0,1,1,0,0|2,0,0]=4 60 B14R2.21 CC1=CC=CC([C@@H]2CNCCN2)=C1 D94871 [0,0,1,1,0,0|2,0,0]=4 61 B14R2.21 ClC1=CC(C2CCNCC2)=CC=C1 58245 [0,0,1,1,0,0|2,0,0]=4 62 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 N10556 [1,0,0,0,1,0|0,1,0]=3 63 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 51828 [1,0,0,0,1,0|1,1,0]=4 64 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 VT1291 [1,0,0,0,1,0|1,1,0]=4 65 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 51827 [1,0,0,0,1,0|0,1,0]=3 66 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 SC2011 [1,0,0,0,1,0|0,1,0]=3 67 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 82299 [1,0,0,0,1,0|0,1,0]=3 68 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 83307 [1,0,0,0,1,0|0,1,0]=3 69 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 69845 [1,0,0,0,1,0|1,1,0]=4 70 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 I11494 [1,0,0,0,1,0|1,1,0]=4 71 B12R2.24 BrC1=CN=C2CCCCC2=C1 55099 [1,0,0,0,1,0|1,1,0]=4 72 B12R2.24 CC1=CC2=C(C=C1)CCNC2 26311 [1,0,0,0,1,0|1,0,0]=3 73 B12R2.24 CC1=CC2=C(C=C1)CCNC2 71799 [1,0,0,0,1,0|1,0,0]=3 74 B12R2.24 CC1=CC2=C(C=C1)CNCC2 64316 [1,0,0,0,1,0|1,0,0]=3 75 B12R2.24 CC1=CC2=C(C=C1)NCCC2 D91482 [1,0,0,0,1,0|2,0,0]=4 76 B12R2.24 CC1=CC=C2CCCCC2=N1 C15437 [1,0,0,0,1,0|2,0,0]=4 77 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 VT1294 [1,0,0,0,1,0|1,0,0]=3 78 B12R2.24 ClC1=CC2=C(C=C1)CNCC2 83051 [1,0,0,0,1,0|0,0,0]=2 79 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 36162 [1,0,0,0,1,0|1,0,0]=3 80 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 SC2831 [1,0,0,0,1,0|1,0,0]=3 81 B12R2.24 FC1=CC2=C(C=C1)CCNC2 90641 [1,0,0,0,1,0|0,1,0]=3 82 B12R2.24 FC1=CC2=C(C=C1)CNCC2 61244 [1,0,0,0,1,0|0,1,0]=3 83 B12R2.24 FC1=CC2=C(C=C1)CNCC2 W17761 [1,0,0,0,1,0|0,1,0]=3 84 B12R2.24 FC1=CC2=C(C=C1)NCCC2 F11863 [1,0,0,0,1,0|1,1,0]=4 85 B12R2.24 NC1=CC2=C(C=C1)CCCN2 28957 [1,0,0,0,1,0|2,0,0]=4 86 B12R2.24 NC1=CC2=C(C=C1)CCNC2 28043 [1,0,0,0,1,0|1,0,0]=3 87 B12R2.24 O=C1C=CC2=C(CCCC2)N1 87090 [1,0,0,0,1,0|2,0,0]=4 88 B12R2.24 OC1=CC2=C(C=C1)CCCC2 O11319 [1,0,0,0,1,0|1,0,0]=3 89 B12R2.24 OC1=CC2=C(C=C1)CCCN2 62510 [1,0,0,0,1,0|2,0,0]=4 90 B12R2.24 OC1=CC2=C(C=C1)CNCC2 62444 [1,0,0,0,1,0|1,0,0]=3 91 B12R2.24 OC1=CC2=C(C=C1)CNCC2 62445 [1,0,0,0,1,0|1,0,0]=3 92 B12R2.24 OC1=CC2=C(C=C1)NCCC2 25056 [1,0,0,0,1,0|2,0,0]=4 93 B12R2.24 OC1=CN=C2CCCCC2=C1 F51876 [1,0,0,0,1,0|2,0,0]=4 94 B12R2.1081 CC1=NCCC2=C1C=CC=C2 63594 [1,0,0,0,1,0|0,0,2]=4 95 B12R2.1081 CN1CCCC2=C1C=CC=C2 F13268 [1,0,0,0,1,0|1,0,0]=3 96 B12R2.1081 CN1CCNC2=C1C=CC=C2 25611 [1,0,0,0,1,0|2,0,0]=4 97 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 24493 [1,0,0,0,1,0|0,0,0]=2 98 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 24577 [1,0,0,0,1,0|0,0,0]=2 99 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 52172 [1,0,0,0,1,0|1,0,0]=3 100 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 52173 [1,0,0,0,1,0|1,0,0]=3 101 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 F13060 [1,0,0,0,1,0|1,0,0]=3 102 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 F16883 [1,0,0,0,1,0|1,0,0]=3 103 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 54847 [1,0,0,0,1,0|2,0,0]=4 104 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 20284 [1,0,0,0,1,0|2,0,0]=4 105 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 24954 [1,0,0,0,1,0|2,0,0]=4 106 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 87774 [1,0,0,0,1,0|2,0,0]=4 107 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 Y10074 [1,0,0,0,1,0|2,0,0]=4 108 B12R2.1081 O=C1CCCC2=C1C=CC=C2 P16483 [1,0,0,0,1,0|1,0,1]=4 109 B12R2.1081 O=C1NCCC2=C1C=CC=C2 25054 [1,0,0,0,1,0|1,0,1]=4 110 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 73935 [1,0,0,0,1,0|1,0,0]=3 111 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 66602 [1,0,0,0,1,0|2,0,0]=4 112 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2O 72142 [0,0,0,0,2,0|2,0,0]=4 113 B12R2.132 CC1=CNC2=C1C=C(Cl)C=C2 82220 [0,0,0,0,2,0|0,0,2]=4 114 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 34238 [0,0,0,0,2,0|1,0,1]=4 115 B12R2.132 O=C1NCC2=C1C=C(Cl)C=C2 87204 [0,0,0,0,2,0|1,0,1]=4