0 B11R1.83 C=CC1=CC=C(CCCl)C=C1 AC7198 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.83 C=CC1=CC=C(CCO)C=C1 AC6179 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.83 CCCC1=CC=C(CBr)C=C1 C13395 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.83 CCNC1=NC=C(C#N)C=C1 88568 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.83 CCOC1=CC=C(CCl)C=C1 60965 [0,0,0,0,0,0|1,0,1]=2 5 B11R1.83 CCOC1=CN=C(CO)C=C1 CL0296 [0,0,0,0,0,0|1,0,2]=3 6 B11R1.83 CCSC1=CC=C(CN)C=C1 AT20991 [0,0,0,0,0,0|1,1,1]=3 7 B11R1.83 CCSC1=CN=C(C#N)C=C1 58222 [0,0,0,0,0,0|2,1,1]=4 8 B11R1.83 NCCC1=CC=C(CO)C=C1 20162 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.1 CCOC1=NC=C(O)C=C1 D75011 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [1,0,0,0,0,0|2,1,0]=4 11 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.1 NC1=CC=C(OCF)C=C1 68782 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.1 [BH3-]C1=CN=C(OCC)N=C1 AC8964 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.3 C#CC1=CC=C(CN)C=C1 A50671 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.3 C=CC1=CC=C(C#N)C=C1 D76989 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.3 C=CC1=CN=C(OC)C=C1 P11583 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.3 CCC1=CN=C(C=O)C=C1 C74094 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.3 CCC1=CN=C(CCl)C=C1 94422 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.3 CCC1=CN=C(CO)C=C1 94421 [1,0,0,0,0,0|1,0,2]=4 21 B10R1.3 CNC1=CC=C(CN)C=C1 A10200 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.3 CNC1=CC=C(SC)C=C1 AT20959 [1,0,0,0,0,0|2,1,0]=4 23 B10R1.3 CNC1=NC=C(C=O)C=N1 I11675 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.3 COC1=CN=C(CBr)C=C1 O10507 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.3 COC1=CN=C(NN)C=C1 W15208 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.3 COC1=NC=C(CBr)C=C1 26302 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.3 COC1=NC=C(SC)C=C1 F50803 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.3 CSC1=NC=C(C=O)C=C1 54709 [1,0,0,0,0,0|1,1,0]=3 29 B10R1.3 NCC1=CC=C(C=O)C=C1 N13169 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 AT23890 [1,0,0,0,0,0|2,0,0]=3 31 B12R1.4 CC(C)SC1=CC=C(CCl)C=C1 AT20997 [0,1,0,0,0,0|1,1,1]=4 32 B12R1.4 CC(C)SC1=CC=C(CO)C=C1 AT20984 [0,1,0,0,0,0|0,1,2]=4 33 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13082 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.4 COC1=CC=C(NC(C)C)C=C1 C77952 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.4 CSC1=CC=C(OC(F)F)C=C1 W16571 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 97264 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N10941 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N12242 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.5 CC[C@H](N)C1=CC=C(SC)C=C1 N11382 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.71 C#CCOC1=CC=C(CO)C=C1 C15641 [0,1,0,0,0,0|0,0,3]=4 41 B12R1.71 C=CCOC1=CC=C(OC)C=C1 W18721 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.71 CCC1=CC=C(CCCO)C=C1 C77990 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.71 COC1=CC=C(CCCI)C=C1 C77768 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.71 COC1=CC=C(NCCN)C=C1 AC5715 [0,1,0,0,0,0|3,0,0]=4 45 B12R1.71 CSC1=CC=C(CCCN)C=C1 N13315 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.71 CSC1=CC=C(OCC#N)C=C1 AC9751 [0,1,0,0,0,0|2,0,1]=4 47 B12R1.113 C=CCC1=CC=C(C(N)=O)C=C1 AC2805 [0,1,0,0,0,0|1,0,2]=4 48 B12R1.113 CCNC1=NN=C(C(=O)O)C=C1 AC3103 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.113 CCOC1=CC=C([C@@H](N)O)C=C1 E72788 [0,1,0,0,0,0|0,0,2]=3 50 B12R1.113 CCOC1=CC=C([C@H](C)N)C=C1 C77727 [0,1,0,0,0,0|1,0,1]=3 51 B12R1.113 CCSC1=NC=C([N+](=O)[O-])C=C1 F11621 [0,1,0,0,0,0|2,1,0]=4 52 B12R1.113 N=C(N)C1=CC=C(CCN)C=C1 F51015 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.113 N=C(N)C1=CC=C(CCN)C=C1 F52005 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.113 NOCC1=CC=C(C(=O)O)C=C1 AT14532 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.114 CCOC1=C(F)C=C(C=O)C=N1 O11588 [0,1,0,0,0,0|1,0,0]=2 56 B12R1.114 CCOC1=C(O)C=C(C=O)C=C1 A51060 [0,1,0,0,0,0|0,0,0]=1 57 B12R1.116 CCOC1=CC=C(CCO)C=C1 C78072 [0,1,0,0,0,0|0,0,2]=3 58 B12R1.288 CCOC1=CC(F)=C(C=O)C=C1 36525 [0,1,0,0,0,0|0,0,0]=1 59 B12R1.288 CCOC1=CC(F)=C(CBr)C=C1 D80283 [0,1,0,0,0,0|1,0,1]=3 60 B12R1.288 CCOC1=CC(F)=C(CN)C=C1 N14202 [0,1,0,0,0,0|1,0,1]=3 61 B12R2.9 BrCC1=CC=C(C2CC2)C=C1 51969 [0,0,0,1,0,0|2,0,1]=4 62 B12R2.9 CCC1=CC=C(C2CC2)C=C1 AC8465 [0,0,0,1,0,0|2,0,1]=4 63 B12R2.9 COC1=CC=C(C2CC2)C=C1 F53529 [0,0,0,1,0,0|3,0,0]=4 64 B12R2.9 ClCC1=CC=C(C2CC2)C=C1 P12610 [0,0,0,1,0,0|2,0,1]=4 65 B12R2.9 NCC1=CC=C(C2CC2)C=C1 33490 [0,0,0,1,0,0|2,0,1]=4 66 B12R2.44 BrCC1=CC2=C(C=C1)CCC2 71843 [0,0,0,1,0,0|2,0,1]=4 67 B12R2.44 CNC1=CC2=C(C=C1)CCC2 F12591 [0,0,0,1,0,0|3,0,0]=4 68 B12R2.44 ClCC1=CC2=C(C=C1)CCC2 AT13426 [0,0,0,1,0,0|2,0,1]=4 69 B12R2.44 O=CC1=CN=C2NCCC2=C1 D78593 [0,0,0,1,0,0|2,0,0]=3 70 B12R2.44 OCC1=CC2=C(C=C1)CCC2 AT13427 [0,0,0,1,0,0|1,0,2]=4 71 B10R1.96 CCCN1C=CC(C=O)=N1 AT14222 [0,0,0,0,1,0|3,0,0]=4 72 B10R1.96 CCOC1=CC=C(C=O)O1 AT17093 [0,0,0,0,1,0|1,0,0]=2 73 B10R1.96 COCC1=CC=C(C=O)S1 AT26622 [0,0,0,0,1,0|3,0,0]=4 74 B10R1.96 O=CC1=CC=C(CCO)S1 F19778 [0,0,0,0,1,0|3,0,0]=4 75 B9R1.1 CCN1C=CC(=S)C=C1 W16146 [2,0,0,0,0,0|1,1,0]=4 76 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.1 COC1=CN=C(I)C=C1 F17075 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.1 COC1=NNC(=O)C=C1 AT17771 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [2,0,0,0,0,0|1,1,0]=4 80 B9R1.1 NCC1=CC=C(F)C=C1 N12249 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.1 NCC1=CC=C(S)C=C1 AT20992 [2,0,0,0,0,0|1,1,0]=4 82 B9R1.1 O=C1C=CC(=NCl)C=C1 T72753 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.1 [2H]CC1=CC=C(F)C=C1 D98910 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.8 CCCC1=CC=CN=C1 O11051 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.8 CNNC1=CC=CC=C1 C77159 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.8 FCCC1=CC=CC=C1 75534 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.8 NCCC1=CC=CC=C1 T71816 [2,0,0,0,0,0|2,0,0]=4 89 B9R1.8 NCCC1=CC=CC=C1 T72591 [2,0,0,0,0,0|2,0,0]=4 90 B11R1.1 C#CCOC1=CC=C(I)C=C1 AT23376 [1,1,0,0,0,0|1,0,1]=4 91 B11R1.1 C=CCOC1=CC=C(Br)C=C1 71195 [1,1,0,0,0,0|1,0,1]=4 92 B11R1.1 CC1=CC=C(CCCN)C=C1 C78299 [1,1,0,0,0,0|1,0,1]=4 93 B11R1.1 CC1=CC=C(OCC#N)C=C1 AC7568 [1,1,0,0,0,0|0,0,2]=4 94 B11R1.1 CNCCC1=CC=C(Br)C=C1 C78422 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.1 CNCCC1=CC=C(C)C=C1 C78074 [1,1,0,0,0,0|1,0,1]=4 96 B11R1.1 COCCC1=CC=C(Br)C=C1 28244 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.1 COCCC1=CC=C(N)C=C1 F11764 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.1 COCOC1=NC=C(Br)C=C1 F19737 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.1 ClC1=CC=C(CCCBr)C=C1 S11935 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.1 NC1=CC=C(OCCCl)C=C1 72016 [1,1,0,0,0,0|1,0,0]=3 101 B11R1.1 NC1=CC=C(OCCO)C=C1 F16836 [1,1,0,0,0,0|1,0,0]=3 102 B11R1.1 NCCCC1=CC=C(N)C=C1 C78351 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.1 NCCSC1=CC=C(Br)C=C1 C78402 [1,1,0,0,0,0|1,1,0]=4 104 B11R1.1 OCCNC1=CC=C(F)C=C1 I11182 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.1 OCCOC1=NC=C(Br)C=C1 F19748 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.1 OCCSC1=CC=C(Br)C=C1 AT20956 [1,1,0,0,0,0|1,1,0]=4 107 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N14354 [1,1,0,0,0,0|1,0,1]=4 108 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y11268 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N10873 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 85180 [1,1,0,0,0,0|1,0,1]=4 111 B11R1.20 FC1=CC=C(OC(F)F)C=C1 F17627 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 O10385 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 N12295 [1,1,0,0,0,0|1,0,1]=4 114 B11R1.81 CCCC1=C(O)C=C(C)C=C1 A10895 [1,1,0,0,0,0|1,0,1]=4 115 B11R1.81 CCNC1=C(N)C=C(Br)C=C1 89427 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.81 CCOC1=C(Br)C=C(C)C=N1 93939 [1,1,0,0,0,0|1,0,1]=4 117 B11R1.81 CCOC1=C(Br)C=C(N)C=C1 N12647 [1,1,0,0,0,0|1,0,0]=3 118 B11R1.81 CCOC1=C(C)C=C(N)C=C1 N12561 [1,1,0,0,0,0|1,0,0]=3 119 B11R1.192 CCCC1=CC(Br)=C(Cl)C=C1 F31327 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.192 CCOC1=CC(F)=C(O)C=C1 94989 [1,1,0,0,0,0|0,0,1]=3 121 B11R1.192 CCOC1=CC(N)=C(N)C=C1 34477 [1,1,0,0,0,0|1,0,0]=3 122 B11R1.192 CCOC1=CN=C(Br)C(N)=C1 F18035 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.192 CCOC1=NC(C)=C(N)C=C1 F51299 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.192 CCSC1=CC(Cl)=C(Br)C=C1 89705 [1,1,0,0,0,0|1,1,0]=4 125 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 D87575 [1,1,0,0,0,0|1,0,0]=3 126 B11R1.3 CC(C)C1=CC=C(CS)C=C1 AT13687 [1,1,0,0,0,0|0,1,1]=4 127 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 F13708 [1,1,0,0,0,0|0,1,0]=3 128 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 N12206 [1,1,0,0,0,0|1,0,1]=4 129 B11R1.3 CCC1=NC=C(C(C)=O)C=C1 P12273 [1,1,0,0,0,0|1,0,0]=3 130 B11R1.3 CNC1=CN=C(C(=O)O)C=C1 AT13629 [1,1,0,0,0,0|2,0,0]=4 131 B11R1.3 COC1=CN=C(C(C)=O)C=C1 P10973 [1,1,0,0,0,0|1,0,0]=3 132 B11R1.3 COC1=CN=C(C(N)=O)C=C1 D74451 [1,1,0,0,0,0|1,0,0]=3 133 B11R1.3 COC1=CN=C([N+](=O)[O-])C=C1 N10328 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 D76956 [1,1,0,0,0,0|2,0,0]=4 135 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 N10959 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20981 [1,1,0,0,0,0|2,0,0]=4 137 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20982 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 F16855 [1,1,0,0,0,0|1,0,1]=4 139 B11R1.3 C[C@H](N)C1=CC=C(CCl)C=C1 96061 [1,1,0,0,0,0|1,0,1]=4 140 B11R1.3 C[C@H](O)C1=CC=C(C#N)C=C1 C13987 [1,1,0,0,0,0|1,0,1]=4 141 B11R1.3 N#[N+]C1=CC=C(C(=O)O)C=C1 A11547 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 10001 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.3 O=CC1=CC=C(C(F)F)C=C1 C91393 [1,1,0,0,0,0|1,0,0]=3 144 B11R1.3 [2H]C(=O)C1=CC=C(OC)C=C1 D98577 [1,1,0,0,0,0|0,0,0]=2 145 B11R1.279 C#CC1=C(Br)C=C(OC)C=C1 AT26829 [1,1,0,0,0,0|1,0,1]=4 146 B11R1.279 CCC1=C(O)C=C(OC)C=C1 75531 [1,1,0,0,0,0|1,0,1]=4 147 B11R1.279 CCC1=CC(Br)=C(OC)C=C1 AT26698 [1,1,0,0,0,0|1,0,1]=4 148 B11R1.279 COC1=C(Br)C=C(CN)C=C1 AC5724 [1,1,0,0,0,0|1,0,1]=4 149 B11R1.279 COC1=C(C)C=C(CCl)C=C1 F14712 [1,1,0,0,0,0|1,0,1]=4 150 B11R1.279 COC1=C(N)C=C(C=O)C=C1 26715 [1,1,0,0,0,0|0,0,0]=2 151 B11R1.279 COC1=CC(C)=C(NN)C=C1 D87953 [1,1,0,0,0,0|2,0,0]=4 152 B11R1.279 COC1=CC(O)=C(CO)C=C1 AC7760 [1,1,0,0,0,0|0,0,2]=4 153 B11R1.279 COC1=NC(N)=C(C=O)C=C1 66190 [1,1,0,0,0,0|1,0,0]=3 154 B11R1.279 CSC1=C(Cl)C=C(C=O)C=C1 AT16394 [1,1,0,0,0,0|0,1,0]=3 155 B11R1.279 O=CC1=CC(Br)=C(C=O)C=C1 AB10136 [1,1,0,0,0,0|1,0,1]=4 156 B11R1.43 CC(C)OC1=CC=C(C=O)O1 AT17096 [0,1,0,0,1,0|1,0,0]=3 157 B11R1.124 CCCC1=CC=C(C(=O)O)S1 AT16415 [0,1,0,0,1,0|2,0,0]=4 158 B11R1.124 CCOC1=CC=C(C(=O)O)S1 AC3902 [0,1,0,0,1,0|1,0,0]=3 159 B11R1.187 CCOC1=NC(Br)=C(C=O)N1 54614 [0,1,0,0,1,0|2,0,0]=4 160 B13R1.4 C=CC1=CC=C(OC(F)(F)F)C=C1 97270 [0,2,0,0,0,0|2,0,0]=4 161 B13R1.4 [2H]C([2H])([2H])OC1=CC=C(C=O)C=C1 F53541 [0,2,0,0,0,0|1,0,0]=3 162 B13R1.35 CC(C)OC1=CC(O)=C(C=O)C=C1 N10524 [0,2,0,0,0,0|0,0,0]=2 163 B13R1.35 CC1=C(C#N)C=CC(OC(C)C)=C1 76142 [0,2,0,0,0,0|1,0,1]=4 164 B13R1.35 O=CC1=C(Br)C=C(OC(F)F)C=C1 D96242 [0,2,0,0,0,0|1,0,0]=3 165 B13R1.36 C=CC1=CC=C(C(N)C(C)O)C=C1 N16181 [0,2,0,0,0,0|2,0,0]=4 166 B13R1.36 C=CC1=CC=C([C@@H](N)C(C)O)C=C1 N16180 [0,2,0,0,0,0|2,0,0]=4 167 B13R1.36 C=CC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N16177 [0,2,0,0,0,0|2,0,0]=4 168 B13R1.36 C=CC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N16179 [0,2,0,0,0,0|2,0,0]=4 169 B13R1.36 C=CC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N16178 [0,2,0,0,0,0|2,0,0]=4 170 B13R1.142 CC(=O)NC1=CC=C(CCN)C=C1 AB10067 [0,2,0,0,0,0|2,0,0]=4 171 B13R1.142 CC(C)OC1=CC=C(CCN)C=C1 AC6363 [0,2,0,0,0,0|1,0,1]=4 172 B13R1.585 CC(=O)C1=CC=C(OC(C)C)C=C1 C78209 [0,2,0,0,0,0|0,0,0]=2 173 B13R1.585 CC(=O)C1=CN=C(OC(C)C)C=C1 E72781 [0,2,0,0,0,0|1,0,0]=3 174 B13R1.585 CC(=O)C1=CN=C(OC(F)F)C=C1 W18249 [0,2,0,0,0,0|2,0,0]=4 175 B13R1.585 CC(=O)C1=NC=C(OC(C)C)C=C1 C92573 [0,2,0,0,0,0|1,0,0]=3 176 B13R1.585 CC(C)OC1=CC=C([C@H](C)N)C=C1 N12556 [0,2,0,0,0,0|1,0,1]=4 177 B13R1.585 CC(C)SC1=CC=C(C(=O)O)C=C1 AT24961 [0,2,0,0,0,0|0,1,0]=3 178 B13R1.653 CC(C)OC1=C(Br)C=C(C=O)C=C1 57742 [0,2,0,0,0,0|0,0,0]=2 179 B13R1.653 CC(C)OC1=C(Cl)C=C(CO)C=C1 N12654 [0,2,0,0,0,0|0,0,2]=4 180 B13R1.139 CCOC1=CC=C(C(=O)CO)C=C1 AC7211 [0,2,0,0,0,0|0,0,0]=2 181 B13R1.139 CCOC1=CC=C([C@@H](N)CO)C=C1 N13133 [0,2,0,0,0,0|0,0,2]=4 182 B13R1.139 CCOC1=CC=C([C@@H](N)CO)C=C1 Y11664 [0,2,0,0,0,0|0,0,2]=4 183 B13R1.139 COC(=O)C1=CC=C(NC=O)C=C1 AB10019 [0,2,0,0,0,0|2,0,0]=4 184 B13R1.537 CC(=O)C1=CC=C([C@@H](O)CN)C=C1 F30572 [0,2,0,0,0,0|2,0,0]=4 185 B13R1.537 CCC(=O)C1=CC=C([N+](=O)[O-])C=C1 C90296 [0,2,0,0,0,0|2,0,0]=4 186 B13R1.537 CCN(C)C1=CC=C([N+](=O)[O-])C=C1 F14259 [0,2,0,0,0,0|2,0,0]=4 187 B13R1.3 CC(C)COC1=CC=C(CN)C=C1 98172 [0,2,0,0,0,0|1,0,1]=4 188 B13R1.3 COC1=CC=C(OC[C@H](C)N)C=C1 C78551 [0,2,0,0,0,0|2,0,0]=4 189 B13R1.3 FC(F)COC1=CC=C(CCl)C=C1 W10372 [0,2,0,0,0,0|1,0,1]=4 190 B13R1.3 O=CC1=CC=C(CCC(=O)O)C=C1 A12447 [0,2,0,0,0,0|1,0,1]=4 191 B13R1.3 O=CC1=CN=C(OCC(F)F)N=C1 AC4535 [0,2,0,0,0,0|2,0,0]=4 192 B13R1.74 C#CCOC1=CC=C(C(C)=O)C=C1 AT23370 [0,2,0,0,0,0|0,0,1]=3 193 B13R1.74 CCCOC1=CC=C(C(C)=O)C=C1 T72645 [0,2,0,0,0,0|0,0,0]=2 194 B13R1.74 CCCOC1=CC=C([C@H](C)N)C=C1 N12275 [0,2,0,0,0,0|1,0,1]=4 195 B13R1.74 CCOCC1=CC=C(C(=O)O)C=C1 F16173 [0,2,0,0,0,0|0,0,0]=2 196 B13R1.74 CNCCC1=CC=C([N+](=O)[O-])C=C1 76739 [0,2,0,0,0,0|2,0,0]=4 197 B13R1.74 NCCCC1=CC=C([N+](=O)[O-])C=C1 C78478 [0,2,0,0,0,0|2,0,0]=4 198 B13R1.74 NCCOC1=CC=C([N+](=O)[O-])C=C1 31480 [0,2,0,0,0,0|1,0,0]=3 199 B13R1.74 NCCOC1=CC=C([N+](=O)[O-])C=C1 AC7478 [0,2,0,0,0,0|1,0,0]=3 200 B13R1.74 O=C(O)C1=CC=C(CCCF)C=C1 93475 [0,2,0,0,0,0|1,0,0]=3 201 B13R1.74 O=C(O)C1=CC=C(OCCF)C=C1 AT21998 [0,2,0,0,0,0|0,0,0]=2 202 B13R1.74 O=C(O)C1=CC=C(SCCO)C=C1 AT24957 [0,2,0,0,0,0|0,1,0]=3 203 B13R1.74 OB(O)C1=CC=C(OCCF)C=C1 D77159 [0,2,0,0,0,0|1,0,1]=4 204 B13R1.77 NCCC1=CC=C(OCCO)C=C1 AC6223 [0,2,0,0,0,0|1,0,1]=4 205 B13R1.371 CCCCNC1=NC=C(C=O)C=C1 FD10600 [0,2,0,0,0,0|2,0,0]=4 206 B13R1.371 COC1=CC=C(COCCBr)C=C1 A50738 [0,2,0,0,0,0|2,0,0]=4 207 B13R1.371 COC1=CC=C(COCSC)C=C1 F15287 [0,2,0,0,0,0|2,0,0]=4 208 B13R1.371 CSC1=CC=C(OCCCN)C=C1 AC3269 [0,2,0,0,0,0|2,0,0]=4 209 B13R1.140 CCOC1=NC=C(S(C)(=O)=O)C=C1 E72603 [0,2,0,0,0,0|2,0,0]=4 210 B13R1.144 CCOC1=C(C)N=C([N+](=O)[O-])C=C1 O10998 [0,2,0,0,0,0|2,0,0]=4 211 B13R1.385 NCCC1=CC(O)=C(C(=O)O)C=C1 52042 [0,2,0,0,0,0|2,0,0]=4 212 B13R1.1254 CCOC1=C(F)C(F)=C(CCl)C=C1 36912 [0,2,0,0,0,0|1,0,1]=4 213 B13R1.3945 CCOC1=C(F)C=C(C=O)C=C1F N12181 [0,2,0,0,0,0|0,0,0]=2 214 B13R1.4031 CCOC1=CC(F)=C(CO)C(F)=C1 90965 [0,2,0,0,0,0|0,0,2]=4 215 B11R1.13 CCOC1=C(C)C(N)=CC=C1 F18648 [0,0,1,1,0,0|1,0,1]=4 216 B11R1.280 CCC1=C(F)C=CC(C=O)=C1 97122 [0,0,1,1,0,0|2,0,0]=4 217 B11R2.34 CC1=CC=C(C2CC2)C=C1 AC9737 [1,0,0,1,0,0|1,0,1]=4 218 B11R2.34 ClC1=CC=C(C2CC2)C=C1 AC9567 [1,0,0,1,0,0|2,0,0]=4 219 B11R2.36 FC1=CC2=C(C=C1)CCC2 36515 [1,0,0,1,0,0|2,0,0]=4 220 B11R2.36 IC1=CC2=C(C=C1)CCC2 C12643 [1,0,0,1,0,0|2,0,0]=4 221 B11R2.36 NC1=CC2=C(C=C1)OCC2 88994 [1,0,0,1,0,0|1,0,0]=3 222 B11R2.21 O=CC1=CC(C2CC2)=CS1 57087 [0,0,0,1,1,0|2,0,0]=4 223 B11R2.21 O=CC1=CSC(C2CC2)=C1 57091 [0,0,0,1,1,0|2,0,0]=4 224 B13R2.2121 CC1=CC2=C(C=CC(C=O)=C2)N1 96764 [0,1,0,1,0,0|1,0,1]=4 225 B13R2.185 O=CC1=CC=C(C2CCC2)C=C1 33448 [0,1,0,1,0,0|1,0,0]=3 226 B13R2.57 COC1=CC2=C(C=C1)COCC2 N14608 [0,1,0,1,0,0|2,0,0]=4 227 B13R2.57 N#CC1=CC2=C(C=C1)OCCN2 O10913 [0,1,0,1,0,0|1,0,1]=4 228 B13R2.57 NNC1=CC2=C(C=C1)OCCO2 AC6897 [0,1,0,1,0,0|2,0,0]=4 229 B13R2.57 O=CC1=CC2=C(C=C1)CCOC2 94694 [0,1,0,1,0,0|1,0,0]=3 230 B13R2.57 O=CC1=CC2=C(C=C1)COCC2 94695 [0,1,0,1,0,0|0,0,0]=2 231 B13R2.57 O=CC1=NC=C2OCCOC2=C1 C75201 [0,1,0,1,0,0|1,0,0]=3 232 B13R2.669 CC1=COC2=C1C=C(C=O)C=C2 98464 [0,1,0,1,0,0|0,0,1]=3 233 B13R2.669 CC1=CSC2=C1C=C(C=O)C=C2 98465 [0,1,0,1,0,0|0,1,1]=4 234 B13R2.669 CC1=NOC2=C1C=C(C=O)C=C2 P20554 [0,1,0,1,0,0|0,0,1]=3 235 B13R2.669 CCC1=CC2=C(C=C1)OC[C@@H]2N N16570 [0,1,0,1,0,0|1,0,1]=4 236 B13R2.669 CCC1=CC2=C(C=C1)OC[C@@H]2N N16571 [0,1,0,1,0,0|1,0,1]=4 237 B13R2.669 CCC1=CC2=C(C=C1)OC[C@@H]2N N16572 [0,1,0,1,0,0|1,0,1]=4 238 B13R2.669 CN1C=NC2=C1C=C(C=O)C=C2 27716 [0,1,0,1,0,0|1,0,1]=4 239 B13R2.669 COC1=CC2=C(C=C1)OC[C@@H]2N N11234 [0,1,0,1,0,0|2,0,0]=4 240 B13R2.669 COC1=CC2=C(C=C1)OC[C@@H]2N N11257 [0,1,0,1,0,0|2,0,0]=4 241 B13R2.669 COC1=CC2=C(C=C1)OC[C@@H]2N N16527 [0,1,0,1,0,0|2,0,0]=4 242 B13R2.669 CSC1=CC2=C(C=C1)OC[C@@H]2N N16547 [0,1,0,1,0,0|2,0,0]=4 243 B13R2.669 CSC1=CC2=C(C=C1)OC[C@@H]2N N16548 [0,1,0,1,0,0|2,0,0]=4 244 B13R2.669 CSC1=CC2=C(C=C1)OC[C@@H]2N N16549 [0,1,0,1,0,0|2,0,0]=4 245 B13R2.669 N#CC1=CC2=C(C=C1)OC[C@@H]2N N11324 [0,1,0,1,0,0|1,0,1]=4 246 B13R2.669 N#CC1=CC2=C(C=C1)OC[C@@H]2N N11325 [0,1,0,1,0,0|1,0,1]=4 247 B13R2.669 N#CC1=CC2=C(C=C1)OC[C@@H]2N N16591 [0,1,0,1,0,0|1,0,1]=4 248 B13R2.669 O=CC1=CC2=C(C=C1)OC=C2Br C91237 [0,1,0,1,0,0|0,0,2]=4 249 B13R2.60 CCOC1=CC=C(C2CC2)C=C1 AC8463 [0,1,0,1,0,0|1,0,1]=4 250 B13R2.428 NC(=O)C1=CC=C(C2CC2)C=C1 AC9861 [0,1,0,1,0,0|1,0,0]=3 251 B13R2.428 O=C(O)C1=NC=C(C2CC2)C=C1 94057 [0,1,0,1,0,0|2,0,0]=4 252 B13R2.428 O=[N+]([O-])C1=CC=C(C2CC2)C=C1 D77964 [0,1,0,1,0,0|2,0,0]=4 253 B13R2.430 CC(=O)C1=CC2=C(C=C1)CNC2 F19658 [0,1,0,1,0,0|2,0,0]=4 254 B13R2.430 C[C@H](Cl)C1=CC2=C(C=C1)OCC2 92474 [0,1,0,1,0,0|1,0,1]=4 255 B13R2.430 C[C@H](O)C1=CC2=C(C=C1)OCC2 92473 [0,1,0,1,0,0|0,0,2]=4 256 B13R2.430 NC(=O)C1=CC2=C(C=C1)CCN2 F18619 [0,1,0,1,0,0|2,0,0]=4 257 B13R2.430 O=C(O)C1=CC2=C(C=C1)CNC2 C10540 [0,1,0,1,0,0|2,0,0]=4 258 B13R2.430 O=C(O)C1=CN=C2NCCC2=C1 D78592 [0,1,0,1,0,0|2,0,0]=4 259 B13R2.430 O=C(O)C1=NC=C2OCCC2=C1 D86317 [0,1,0,1,0,0|1,0,0]=3 260 B13R2.654 O=CC1=CC(Cl)=C2OCOC2=C1 C93175 [0,1,0,1,0,0|1,0,0]=3 261 B13R2.654 O=CC1=CC(F)=C2OCOC2=C1 C93180 [0,1,0,1,0,0|1,0,0]=3 262 B13R2.654 O=CC1=CC(O)=C2OCOC2=C1 F15182 [0,1,0,1,0,0|1,0,0]=3 263 B13R2.449 CCOC1=CC2=C(C=C1)NC=C2 24610 [0,1,0,1,0,0|1,0,0]=3 264 B13R2.449 CCOC1=CC2=C(C=C1)NN=C2 78353 [0,1,0,1,0,0|2,0,0]=4 265 B13R2.449 CCOC1=NC2=C(C=C1)NC=C2 F11174 [0,1,0,1,0,0|2,0,0]=4 266 B13R2.599 O=CC1=C(O)C=C2CCOC2=C1 D77252 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.21 CCC1=NC(C=O)=CS1 AT15240 [1,0,0,0,1,0|2,0,0]=4 268 B9R1.21 CCN1C=CC(C=O)=C1 AT16331 [1,0,0,0,1,0|1,0,0]=3 269 B9R1.21 CCN1C=CC(C=O)=N1 F14621 [1,0,0,0,1,0|2,0,0]=4 270 B9R1.21 COC1=CC=C(C=O)O1 AT17092 [1,0,0,0,1,0|1,0,0]=3 271 B9R1.21 COC1=CC=C(C=O)S1 F53534 [1,0,0,0,1,0|1,0,0]=3 272 B9R1.21 COC1=NC(C=O)=CS1 AT15252 [1,0,0,0,1,0|2,0,0]=4 273 B9R1.21 COC1=NSC(C=O)=C1 AT11785 [1,0,0,0,1,0|2,0,0]=4 274 B9R1.21 CSC1=CC=C(C=O)O1 AT17272 [1,0,0,0,1,0|1,1,0]=4 275 B9R1.21 CSC1=CC=C(C=O)S1 T72147 [1,0,0,0,1,0|1,1,0]=4 276 B9R1.21 O=CC1=CC(CCl)=CS1 AT17066 [1,0,0,0,1,0|2,0,0]=4 277 B9R1.21 O=CC1=CC=C(CCl)O1 F11818 [1,0,0,0,1,0|2,0,0]=4