0 B11R1.24 C=CCOC1=CC(N)=CC=C1 N12360 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.24 CC1=CC=CC(CCCO)=C1 C12553 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.24 CC1=CC=CC(OCCO)=C1 D90477 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.24 CNCCC1=CC(C)=CC=C1 C77877 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.24 COCOC1=CC=CC(Cl)=C1 AC7215 [0,0,0,0,0,0|2,1,0]=3 5 B11R1.24 NCCCC1=CC=CC(Br)=C1 C77975 [0,0,0,0,0,0|2,1,0]=3 6 B11R1.24 NCCCC1=CC=CC(F)=C1 C77729 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.10 CCCC1=CC(C)=CC=C1 D92006 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.10 CCOC1=CC(O)=CC=C1 CK1178 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.10 CCSC1=CC=CC(Br)=C1 AT20878 [1,0,0,0,0,0|1,1,0]=3 10 B10R1.10 CNCC1=CC=CC(Cl)=C1 L10045 [1,0,0,0,0,0|0,1,0]=2 11 B10R1.10 NNCC1=CC=CC(Br)=C1 P10524 [1,0,0,0,0,0|1,1,0]=3 12 B10R1.10 NNCC1=CC=CC(Cl)=C1 74963 [1,0,0,0,0,0|1,1,0]=3 13 B10R1.10 NNCC1=CC=CC(F)=C1 75838 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.17 C=CCCC1=CC=CC=C1 D91916 [1,0,0,0,0,0|1,0,1]=3 15 B10R1.17 CCC#CC1=CC=CC=C1 D91952 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.17 COCCC1=NC=CC=C1 D91306 [1,0,0,0,0,0|2,0,0]=3 17 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 D87530 [0,1,0,0,0,0|1,0,1]=3 18 B12R1.17 CNC[C@H](O)C1=CC=CC(O)=C1 D91959 [0,1,0,0,0,0|1,0,0]=2 19 B12R1.17 NC1=CC=CC([C@@H](N)CCO)=C1 51809 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 Y11743 [0,1,0,0,0,0|2,1,0]=4 21 B12R1.28 COCCOC1=CC(N)=CC=C1 C14172 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.28 OCCCOC1=CC=CC(F)=C1 AC7865 [0,1,0,0,0,0|2,0,0]=3 23 B12R1.28 S=C=NCCC1=CC=CC(Cl)=C1 A10413 [0,1,0,0,0,0|0,1,2]=4 24 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 23335 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.226 CC(=O)NCC1=CC=CC(Br)=C1 C78150 [0,1,0,0,0,0|2,1,0]=4 26 B12R1.226 CC1=CC=CC(OC[C@H](C)O)=C1 D91439 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.226 O=C(Cl)COC1=CC(F)=CC=C1 AC1397 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 I11536 [0,1,0,0,0,0|2,1,0]=4 29 B12R1.374 COCOC1=C(Br)C=CC(F)=C1 C15002 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.382 COC1=CC(CCCN)=CC=C1 C78001 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.382 COCOC1=CC=CC(C=O)=C1 D91502 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 H12011 [0,1,0,0,0,0|1,0,0]=2 33 B12R1.385 NCCCC1=CC(Cl)=C(Cl)C=C1 VT1067 [0,1,0,0,0,0|2,1,0]=4 34 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 SC1104 [0,0,0,1,0,0|2,1,0]=4 35 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 Y10693 [0,0,0,1,0,0|2,1,0]=4 36 B12R2.24 FC1=CC2=C(C=C1)OCCN2 26344 [0,0,0,1,0,0|3,0,0]=4 37 B12R2.24 NC1=CC2=C(C=C1)CCCC2 AB10169 [0,0,0,1,0,0|2,0,0]=3 38 B12R2.24 OC1=CC2=C(C=C1)CCNC2 O10335 [0,0,0,1,0,0|3,0,0]=4 39 B12R2.1081 FC1=C2CNCCC2=CC=C1 33396 [0,0,0,1,0,0|0,0,0]=1 40 B12R2.1081 NC1=CC=CC2=C1CCNC2 AB10120 [0,0,0,1,0,0|3,0,0]=4 41 B12R2.1081 OC1=C2CC=CCC2=CC=C1 C15471 [0,0,0,1,0,0|2,0,1]=4 42 B12R2.1081 [O-][N+]1=C2CCCCC2=CC=C1 65502 [0,0,0,1,0,0|3,0,0]=4 43 B12R2.1286 BrC1=CC(SC2CC2)=CC=C1 F30463 [0,0,0,1,0,0|2,1,0]=4 44 B9R1.2 CC1=CC=CC(CS)=C1 AT13701 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.2 CNC1=CC=CC(Br)=N1 AT21378 [2,0,0,0,0,0|1,1,0]=4 46 B9R1.2 COC1=CC(N)=CC=C1 D88266 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.2 FC1=CC=CC(CS)=C1 AT13684 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.2 NCC1=CC=CC(F)=N1 24135 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.2 NCC1=CC=C[N+]([O-])=C1 52093 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.2 NNC1=CC(F)=CN=C1 D86941 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.2 NNC1=CC=CC(Cl)=C1 D89224 [2,0,0,0,0,0|1,1,0]=4 52 B9R1.2 OC1=CC=CC(CCl)=C1 D84184 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.2 [C-]#[N+]C1=CC=CC(F)=C1 AC8791 [2,0,0,0,0,0|0,0,2]=4 54 B9R1.8 CNCC1=NC=CN=C1 P10399 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.8 CNCC1=NC=NC=C1 AT18327 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.8 CNCC1=NC=NC=C1 I11999 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.8 CSCC1=CC=CC=C1 D88728 [2,0,0,0,0,0|1,0,0]=3 58 B9R1.8 CSCC1=CN=CC=C1 E72352 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.8 C\C=C/C1=CC=CC=C1 D91456 [2,0,0,0,0,0|0,0,2]=4 60 B9R1.8 C\C=C\C1=CC=CC=C1 H10852 [2,0,0,0,0,0|0,0,2]=4 61 B9R1.8 ClCCC1=NC=CC=C1 D83590 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.13 COCC1=CC=CC(Br)=C1C AT26795 [1,1,0,0,0,0|1,1,0]=4 63 B11R1.13 FC1=CC=CC(CCBr)=C1F C77832 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 N12550 [1,1,0,0,0,0|0,1,0]=3 65 B11R1.23 CC[C@H](N)C1=NC(C)=CC=C1 N10812 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.23 CC[C@H](O)C1=CC=CC(F)=C1 N11963 [1,1,0,0,0,0|0,0,0]=2 67 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 N12588 [1,1,0,0,0,0|0,1,0]=3 68 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 C78269 [1,1,0,0,0,0|0,1,1]=4 69 B11R1.23 NC[C@H](O)C1=CC=CC(O)=C1 D91696 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.34 N#CCC1=CC(Br)=CC(F)=C1 N10544 [1,1,0,0,0,0|0,0,2]=4 71 B11R1.34 NCCC1=CC(F)=CC(F)=C1 AT21562 [1,1,0,0,0,0|0,0,0]=2 72 B11R1.157 CC(C)SC1=CC=CC(Br)=C1 AT26737 [1,1,0,0,0,0|1,1,0]=4 73 B11R1.157 O=C(Cl)CC1=CC(F)=CC=C1 C13922 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.182 CCNC1=C(C)C=CC(O)=C1 D90472 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 76036 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.182 CCOC1=C(N)C=CC(Br)=C1 53625 [1,1,0,0,0,0|1,1,0]=4 77 B11R1.182 FC1=CC(CCBr)=C(F)C=C1 C77865 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.182 NNCC1=C(F)C=CC(F)=C1 D87553 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.189 COC1=CC(CCN)=CC=C1 64359 [1,1,0,0,0,0|1,0,0]=3 80 B11R1.192 CNCC1=CC(Cl)=C(Cl)C=C1 74960 [1,1,0,0,0,0|0,1,0]=3 81 B11R1.192 NCCC1=CC(O)=C(O)C=C1 F21485 [1,1,0,0,0,0|1,0,0]=3 82 B11R1.1 CCCOC1=CC=C(N)C=C1 71058 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.1 CNCCC1=CC=C(Cl)C=C1 29906 [1,1,0,0,0,0|0,0,0]=2 84 B11R1.1 CNCCC1=CC=C(F)C=C1 C15824 [1,1,0,0,0,0|0,0,0]=2 85 B11R1.1 CN\N=N\C1=CC=C(C)C=C1 A12264 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.1 NC1=CC=C(CCCO)C=C1 A50572 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.1 NCCCC1=CC=C(Br)C=C1 C78387 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.1 NCCCC1=CC=C(F)C=C1 C77698 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y12255 [1,1,0,0,0,0|1,0,0]=3 90 B11R1.16 CCC[C@H](N)C1=CC=CN=C1 N12309 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.16 CCC[C@H](N)C1=NC=CC=C1 N12437 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.16 CNOC(=O)C1=CC=CC=C1 T70697 [1,1,0,0,0,0|1,0,1]=4 93 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12470 [1,1,0,0,0,0|1,0,0]=3 94 B11R1.16 COC[C@H](N)C1=CC=CC=C1 W18573 [1,1,0,0,0,0|1,0,0]=3 95 B11R1.17 CCOCC1=C(Br)C=CC=C1 N10194 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.17 O=CCCC1=C(Br)C=CC=C1 29935 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.28 CCCC#CC1=CC=CC=C1 D73344 [1,1,0,0,0,0|1,0,1]=4 98 B11R1.28 CCCCNC1=CC=CC=C1 D88676 [1,1,0,0,0,0|1,0,0]=3 99 B11R1.28 CNCCOC1=CC=CC=C1 H11358 [1,1,0,0,0,0|0,0,0]=2 100 B11R1.28 ClCCOCC1=CC=CC=C1 N12052 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.28 N#CCCCC1=CC=CC=C1 D92056 [1,1,0,0,0,0|1,0,1]=4 102 B11R1.28 NCCCCC1=CC=CC=C1 D88453 [1,1,0,0,0,0|1,0,0]=3 103 B11R1.28 OCCSCC1=CC=CC=C1 D89046 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.40 CCN(C)CC1=CC=CC=C1 AB10334 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.40 NC[C@@H](O)CC1=CC=CC=C1 AR2912 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.91 C=C(C)OCC1=CC=CC=C1 T70780 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.91 CC(C)=NCC1=CC=CC=C1 92550 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.91 CC(C)CCC1=CC=CC=C1 D91368 [1,1,0,0,0,0|1,0,0]=3 109 B11R1.91 CN(C)CCC1=CC=CC=C1 F12472 [1,1,0,0,0,0|0,0,0]=2 110 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 30788 [1,1,0,0,0,0|1,0,0]=3 111 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 F20201 [1,1,0,0,0,0|1,0,0]=3 112 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 D97163 [1,1,0,0,0,0|1,0,0]=3 113 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 D97164 [1,1,0,0,0,0|1,0,0]=3 114 B13R1.18 CCNC[C@H](O)C1=CC=CC(O)=C1 D90499 [0,2,0,0,0,0|1,0,0]=3 115 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1 N12059 [0,2,0,0,0,0|2,0,0]=4 116 B13R1.466 CNC[C@H](O)C1=CC(O)=C(O)C=C1 A51070 [0,2,0,0,0,0|1,0,0]=3 117 B13R1.466 CNC[C@H](O)C1=CC(O)=C(O)C=C1 D88222 [0,2,0,0,0,0|1,0,0]=3 118 B13R1.150 O=C(O)CCC1=CC=CC(F)=C1F S10168 [0,2,0,0,0,0|2,0,0]=4 119 B13R1.6 CC1=CC=CC(CNCCCBr)=C1 VT1408 [0,2,0,0,0,0|2,0,0]=4 120 B13R1.6 CCCCCCC1=CC=CC(Br)=C1 D89052 [0,2,0,0,0,0|1,1,0]=4 121 B13R1.15 COC(=O)CCC1=CC(N)=CC=C1 C77719 [0,2,0,0,0,0|2,0,0]=4 122 B13R1.669 CCCCCC1=CC(F)=C(Cl)C=C1 36911 [0,2,0,0,0,0|1,0,0]=3 123 B13R1.893 O=C(O)CCC1=C(Cl)C=CC(F)=C1 F52869 [0,2,0,0,0,0|2,0,0]=4 124 B11R2.36 BrC1=CC2=C(C=C1)NCC2 F13820 [1,0,0,1,0,0|0,1,0]=3 125 B11R2.36 OC1=CC2=C(C=C1)NCC2 F19200 [1,0,0,1,0,0|1,0,0]=3 126 B11R2.106 CC1=C2NCCC2=CC=C1 O11660 [1,0,0,1,0,0|1,0,0]=3 127 B11R2.106 FC1=C2CCNC2=CC=C1 33886 [1,0,0,1,0,0|1,0,0]=3 128 B11R2.106 FC1=C2CNCC2=CC=C1 F14710 [1,0,0,1,0,0|0,0,0]=2 129 B11R2.106 [O-][N+]1=C2CCCC2=CC=C1 85954 [1,0,0,1,0,0|2,0,0]=4 130 B11R2.1 NN1CCC2=C1C=CC=C2 AC7277 [1,0,0,1,0,0|1,0,0]=3 131 B11R2.238 C1=CC=C(C[C@H]2CO2)C=C1 F20875 [1,0,0,1,0,0|1,0,0]=3 132 B11R2.988 N#C[C@H]1CC2=C1C=CC=C2 67732 [1,0,0,1,0,0|2,0,0]=4 133 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 Y11542 [0,1,0,1,0,0|1,0,0]=3 134 B13R2.3021 CC1=CC=CC(OC2CNC2)=C1 88511 [0,1,0,1,0,0|1,0,0]=3 135 B13R2.5331 BrC1=CC(CNC2CC2)=CC=C1 C78544 [0,1,0,1,0,0|1,1,0]=4 136 B13R2.5331 ClC1=CC(CNC2CC2)=CC=C1 C78274 [0,1,0,1,0,0|1,1,0]=4 137 B13R2.155 N[C@H]1CCC2=C(C=C(O)C=C2)C1 23336 [0,1,0,1,0,0|2,0,0]=4 138 B13R2.57 COC1=CC2=C(C=C1)CCCC2 Y10210 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.33 CNCC1=CC=CN1C AT16163 [1,0,0,0,1,0|2,0,0]=4 140 B9R1.12 CCCCC1=CCC=C1 F14008 [1,0,0,0,1,0|1,0,1]=4