0 B12R2.44 BrCC1=CC2=C(C=C1)CCC2 71843 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.44 BrCC1=CC2=C(C=C1)OC=C2 AC5003 [0,0,0,0,0,0|2,0,2]=4 2 B12R2.44 CNC1=CC2=C(C=C1)CCC2 F12591 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.44 ClCC1=CC2=C(C=C1)CCC2 AT13426 [0,0,0,0,0,0|3,0,1]=4 4 B12R2.44 N#CC1=CC2=C(C=CO2)C=C1 57244 [0,0,0,0,0,0|2,0,2]=4 5 B12R2.44 NCC1=CC2=C(C=C1)N=CO2 AC5137 [0,0,0,0,0,0|2,0,2]=4 6 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 F13229 [0,0,0,0,0,0|2,0,2]=4 7 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 F20150 [0,0,0,0,0,0|2,0,2]=4 8 B12R2.44 NCC1=CC2=C(C=C1)OC=N2 AC2206 [0,0,0,0,0,0|2,0,2]=4 9 B12R2.44 O=CC1=CN=C2NCCC2=C1 D78593 [0,0,0,0,0,0|3,0,0]=3 10 B12R2.44 O=CC1=NC=C2NN=CC2=C1 F17893 [0,0,0,0,0,0|4,0,0]=4 11 B12R2.44 OCC1=CC2=C(C=C1)CCC2 AT13427 [0,0,0,0,0,0|2,0,2]=4 12 B11R2.36 ClC1=CC2=C(C=C1)OC=C2 A51024 [1,0,0,0,0,0|2,0,1]=4 13 B11R2.36 FC1=CC2=C(C=C1)CCC2 36515 [1,0,0,0,0,0|3,0,0]=4 14 B11R2.36 FC1=CC2=C(C=C1)N=CO2 AC5634 [1,0,0,0,0,0|2,0,1]=4 15 B11R2.36 IC1=CC2=C(C=C1)CCC2 C12643 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.36 NC1=CC2=C(C=C1)OCC2 88994 [1,0,0,0,0,0|2,0,0]=3 17 B13R2.430 CC(=O)C1=CC2=C(C=C1)CNC2 F19658 [0,1,0,0,0,0|3,0,0]=4 18 B13R2.430 CC(=O)C1=CC2=C(C=C1)NC=N2 F52358 [0,1,0,0,0,0|2,0,1]=4 19 B13R2.430 CC(=O)C1=CC2=NON=C2C=C1 92484 [0,1,0,0,0,0|3,0,0]=4 20 B13R2.430 C[C@H](Cl)C1=CC2=C(C=C1)OCC2 92474 [0,1,0,0,0,0|2,0,1]=4 21 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)CCO2 N15488 [0,1,0,0,0,0|2,0,1]=4 22 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)CCO2 N15489 [0,1,0,0,0,0|2,0,1]=4 23 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OCO2 92495 [0,1,0,0,0,0|1,0,1]=3 24 B13R2.430 C[C@H](O)C1=CC2=C(C=C1)CCO2 92507 [0,1,0,0,0,0|1,0,2]=4 25 B13R2.430 C[C@H](O)C1=CC2=C(C=C1)OCC2 92473 [0,1,0,0,0,0|1,0,2]=4 26 B13R2.430 NC(=O)C1=CC2=C(C=C1)CCN2 F18619 [0,1,0,0,0,0|2,0,0]=3 27 B13R2.430 NC(=O)C1=CC2=C(C=C1)SC=N2 O11692 [0,1,0,0,0,0|1,1,1]=4 28 B13R2.430 NC(=O)C1=CC2=C(C=CN2)C=C1 C15041 [0,1,0,0,0,0|2,0,1]=4 29 B13R2.430 O=C(Cl)C1=CC2=C(C=C1)NC=C2 F18372 [0,1,0,0,0,0|2,0,1]=4 30 B13R2.430 O=C(Cl)C1=CC2=C(C=C1)SC=C2 H11170 [0,1,0,0,0,0|1,1,1]=4 31 B13R2.430 O=C(Cl)C1=CC2=C(C=CO2)C=C1 F30696 [0,1,0,0,0,0|1,0,1]=3 32 B13R2.430 O=C(O)C1=CC2=C(C=C1)CNC2 C10540 [0,1,0,0,0,0|3,0,0]=4 33 B13R2.430 O=C(O)C1=CN=C2NCCC2=C1 D78592 [0,1,0,0,0,0|3,0,0]=4 34 B13R2.430 O=C(O)C1=NC=C2OCCC2=C1 D86317 [0,1,0,0,0,0|2,0,0]=3 35 B13R2.599 O=CC1=C(O)C=C2CCOC2=C1 D77252 [0,1,0,0,0,0|1,0,0]=2 36 B13R2.654 COC1=CC(N)=C2OCOC2=C1 F14455 [0,1,0,0,0,0|2,0,0]=3 37 B13R2.654 ClCC1=CC(Cl)=C2OCOC2=C1 C93176 [0,1,0,0,0,0|1,0,1]=3 38 B13R2.654 FC1=C2OCOC2=CC(CCl)=C1 C93182 [0,1,0,0,0,0|1,0,1]=3 39 B13R2.654 O=CC1=CC(Cl)=C2OCOC2=C1 C93175 [0,1,0,0,0,0|0,0,0]=1 40 B13R2.654 O=CC1=CC(F)=C2OCOC2=C1 C93180 [0,1,0,0,0,0|0,0,0]=1 41 B13R2.654 O=CC1=CC(O)=C2OCOC2=C1 F15182 [0,1,0,0,0,0|0,0,0]=1 42 B13R2.654 OCC1=CC(F)=C2OCOC2=C1 C93181 [0,1,0,0,0,0|0,0,2]=3 43 B13R2.669 CC1=COC2=C1C=C(C=O)C=C2 98464 [0,1,0,0,0,0|1,0,1]=3 44 B13R2.669 CC1=CSC2=C1C=C(C=O)C=C2 98465 [0,1,0,0,0,0|1,1,1]=4 45 B13R2.669 CC1=NOC2=C1C=C(C=O)C=C2 P20554 [0,1,0,0,0,0|2,0,0]=3 46 B13R2.669 CCC1=CC2=C(C=C1)OCC2=O AC6735 [0,1,0,0,0,0|2,0,1]=4 47 B13R2.669 CCC1=CC2=C(C=C1)OC[C@@H]2N N16570 [0,1,0,0,0,0|2,0,1]=4 48 B13R2.669 CCC1=CC2=C(C=C1)OC[C@@H]2N N16571 [0,1,0,0,0,0|2,0,1]=4 49 B13R2.669 CCC1=CC2=C(C=C1)OC[C@@H]2N N16572 [0,1,0,0,0,0|2,0,1]=4 50 B13R2.669 CN1C=NC2=C1C=C(C=O)C=C2 27716 [0,1,0,0,0,0|2,0,1]=4 51 B13R2.669 COC1=CC2=C(C=C1)OC[C@@H]2N N11234 [0,1,0,0,0,0|3,0,0]=4 52 B13R2.669 COC1=CC2=C(C=C1)OC[C@@H]2N N11257 [0,1,0,0,0,0|3,0,0]=4 53 B13R2.669 COC1=CC2=C(C=C1)OC[C@@H]2N N16527 [0,1,0,0,0,0|3,0,0]=4 54 B13R2.669 CSC1=CC2=C(C=C1)OC[C@@H]2N N16547 [0,1,0,0,0,0|3,0,0]=4 55 B13R2.669 CSC1=CC2=C(C=C1)OC[C@@H]2N N16548 [0,1,0,0,0,0|3,0,0]=4 56 B13R2.669 CSC1=CC2=C(C=C1)OC[C@@H]2N N16549 [0,1,0,0,0,0|3,0,0]=4 57 B13R2.669 N#CC1=CC2=C(C=C1)OC[C@@H]2N N11324 [0,1,0,0,0,0|2,0,1]=4 58 B13R2.669 N#CC1=CC2=C(C=C1)OC[C@@H]2N N11325 [0,1,0,0,0,0|2,0,1]=4 59 B13R2.669 N#CC1=CC2=C(C=C1)OC[C@@H]2N N16591 [0,1,0,0,0,0|2,0,1]=4 60 B13R2.669 O=CC1=CC2=C(C=C1)OC=C2Br C91237 [0,1,0,0,0,0|1,0,1]=3 61 B13R2.669 O=CC1=CC2=C(C=C1)SC=C2Br C92340 [0,1,0,0,0,0|1,1,1]=4 62 B13R2.2121 CC1=CC2=C(C=CC(C=O)=C2)N1 96764 [0,1,0,0,0,0|2,0,1]=4 63 B13R2.2121 NC1=NC2=C(C=C(C=O)C=C2)S1 75427 [0,1,0,0,0,0|1,1,1]=4 64 B13R2.2121 O=CC1=CC2=C(C=C1)N=C(Br)S2 O10700 [0,1,0,0,0,0|1,1,1]=4 65 B13R2.2130 CCC1=CC2=C(C=C1)[C@@H](N)CO2 N16573 [0,1,0,0,0,0|2,0,1]=4 66 B13R2.2130 CCC1=CC2=C(C=C1)[C@@H](N)CO2 N16574 [0,1,0,0,0,0|2,0,1]=4 67 B13R2.2130 CCC1=CC2=C(C=C1)[C@@H](N)CO2 N16575 [0,1,0,0,0,0|2,0,1]=4 68 B13R2.2130 CN1C=NC2=C1C=CC(C=O)=C2 35943 [0,1,0,0,0,0|2,0,1]=4 69 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CO2 89000 [0,1,0,0,0,0|3,0,0]=4 70 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CO2 N10004 [0,1,0,0,0,0|3,0,0]=4 71 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CO2 N10960 [0,1,0,0,0,0|3,0,0]=4 72 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CO2 N10961 [0,1,0,0,0,0|3,0,0]=4 73 B13R2.2130 CSC1=CC2=C(C=C1)[C@@H](N)CO2 N16543 [0,1,0,0,0,0|3,0,0]=4 74 B13R2.2130 CSC1=CC2=C(C=C1)[C@@H](N)CO2 N16545 [0,1,0,0,0,0|3,0,0]=4 75 B13R2.2130 CSC1=CC2=C(C=C1)[C@@H](N)CO2 N16546 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.83 C=CC1=CC=C(CCCl)C=C1 AC7198 [0,0,1,0,0,0|3,0,0]=4 77 B11R1.83 C=CC1=CC=C(CCO)C=C1 AC6179 [0,0,1,0,0,0|2,0,0]=3 78 B11R1.83 CCOC1=CC=C(CCl)C=C1 60965 [0,0,1,0,0,0|2,0,1]=4 79 B11R1.189 CCOC1=CC(C=O)=CN=C1 N12988 [0,0,1,0,0,0|2,0,0]=3 80 B11R1.189 CCOC1=CC(C=O)=NC=C1 C15039 [0,0,1,0,0,0|2,0,0]=3 81 B11R1.189 CCOC1=CC(CN)=CC=C1 N12140 [0,0,1,0,0,0|2,0,1]=4 82 B11R1.189 CCOC1=NC=CC(C=O)=C1 AT18194 [0,0,1,0,0,0|2,0,0]=3 83 B11R1.279 CCC1=C(O)C=C(OC)C=C1 75531 [0,0,1,0,0,0|3,0,0]=4 84 B11R1.279 CCC1=CC(Br)=C(OC)C=C1 AT26698 [0,0,1,0,0,0|2,0,1]=4 85 B11R1.279 COC1=C(Br)C=C(CN)C=C1 AC5724 [0,0,1,0,0,0|2,0,1]=4 86 B11R1.279 COC1=C(C)C=C(CCl)C=C1 F14712 [0,0,1,0,0,0|2,0,1]=4 87 B11R1.279 COC1=C(N)C=C(C=O)C=C1 26715 [0,0,1,0,0,0|1,0,0]=2 88 B11R1.279 CSC1=C(Cl)C=C(C=O)C=C1 AT16394 [0,0,1,0,0,0|1,1,0]=3 89 B11R1.279 O=CC1=CC(Br)=C(C=O)C=C1 AB10136 [0,0,1,0,0,0|3,0,0]=4 90 B11R1.280 CCC1=C(F)C=CC(C=O)=C1 97122 [0,0,1,0,0,0|2,0,0]=3 91 B11R1.280 CCC1=CC(OC)=C(F)C=C1 57977 [0,0,1,0,0,0|2,0,1]=4 92 B11R1.280 COC1=C(Br)C=CC(C=O)=N1 D70757 [0,0,1,0,0,0|2,0,0]=3 93 B11R1.280 COC1=C(F)C=CC(CN)=C1 CK2401 [0,0,1,0,0,0|2,0,1]=4 94 B11R1.280 COC1=C(I)C=CC(CO)=C1 97841 [0,0,1,0,0,0|1,0,2]=4 95 B11R1.280 COC1=C(S)C=CC(C=O)=C1 AT20890 [0,0,1,0,0,0|0,1,0]=2 96 B11R1.280 COC1=CC=C(O)C(OC)=N1 C16610 [0,0,1,0,0,0|3,0,0]=4 97 B11R1.280 N#CC1=C(N)C=CC(C=O)=C1 AT22957 [0,0,1,0,0,0|3,0,0]=4 98 B13R2.57 COC1=CC2=C(C=C1)COCC2 N14608 [0,0,0,0,0,1|3,0,0]=4 99 B13R2.57 N#CC1=CC2=C(C=C1)OCCN2 O10913 [0,0,0,0,0,1|2,0,1]=4 100 B13R2.57 N#CC1=CN=C2OCCOC2=C1 H10112 [0,0,0,0,0,1|2,0,1]=4 101 B13R2.57 NNC1=CC2=C(C=C1)OCCO2 AC6897 [0,0,0,0,0,1|2,0,0]=3 102 B13R2.57 O=CC1=CC2=C(C=C1)CCOC2 94694 [0,0,0,0,0,1|1,0,0]=2 103 B13R2.57 O=CC1=CC2=C(C=C1)COCC2 94695 [0,0,0,0,0,1|1,0,0]=2 104 B13R2.57 O=CC1=CC2=CN=CN=C2C=C1 72281 [0,0,0,0,0,1|2,0,1]=4 105 B13R2.57 O=CC1=NC=C2OCCOC2=C1 C75201 [0,0,0,0,0,1|1,0,0]=2 106 B10R1.1 NC1=CC=C(OCF)C=C1 68782 [1,0,1,0,0,0|2,0,0]=4 107 B10R1.3 C=CC1=CN=C(OC)C=C1 P11583 [1,0,1,0,0,0|2,0,0]=4 108 B10R1.3 CCC1=CN=C(C=O)C=C1 C74094 [1,0,1,0,0,0|2,0,0]=4 109 B10R1.3 CSC1=NC=C(C=O)C=C1 54709 [1,0,1,0,0,0|1,1,0]=4 110 B10R1.3 NCC1=CC=C(C=O)C=C1 N13169 [1,0,1,0,0,0|1,0,0]=3 111 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 AT23890 [1,0,1,0,0,0|2,0,0]=4 112 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [1,0,1,0,0,0|1,1,0]=4 113 B10R1.172 C=CC1=CC=CC(OC)=N1 52911 [1,0,1,0,0,0|2,0,0]=4 114 B10R1.172 CCC1=CC=CC(CO)=C1 D85939 [1,0,1,0,0,0|1,0,1]=4 115 B10R1.172 CNC1=CC=CC(CO)=C1 AT21037 [1,0,1,0,0,0|2,0,0]=4 116 B10R1.172 COC1=CC=NC(C=O)=N1 AT18294 [1,0,1,0,0,0|2,0,0]=4 117 B10R1.172 NCC1=CC=CC(CO)=C1 C75075 [1,0,1,0,0,0|1,0,1]=4 118 B10R1.172 O=CC1=NC=CC(CO)=C1 60952 [1,0,1,0,0,0|1,0,0]=3 119 B10R1.25 COC1=C(I)C=C(I)C=C1 AT18541 [1,0,1,0,0,0|2,0,0]=4 120 B10R1.176 CC1=C(Br)C=C(C=O)C=N1 C14264 [1,0,1,0,0,0|2,0,0]=4 121 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14330 [1,0,1,0,0,0|1,0,1]=4 122 B10R1.176 CCC1=CC(O)=C(O)C=C1 70407 [1,0,1,0,0,0|1,0,1]=4 123 B10R1.176 CSC1=CC(C)=C(O)C=C1 AT20904 [1,0,1,0,0,0|2,0,0]=4 124 B10R1.176 O=CC1=CC(Br)=C(I)C=C1 AT26050 [1,0,1,0,0,0|2,0,0]=4 125 B10R1.176 O=CC1=CC(I)=C(Br)C=C1 AT23715 [1,0,1,0,0,0|2,0,0]=4 126 B10R1.30 CNC1=C(O)C=CC(C)=C1 C16345 [1,0,1,0,0,0|1,0,1]=4 127 B10R1.30 COC1=C(C)C=CC(O)=C1 AT19376 [1,0,1,0,0,0|1,0,1]=4 128 B10R1.30 COC1=C(S)C=CC(N)=C1 D87749 [1,0,1,0,0,0|1,1,0]=4 129 B10R2.7 C1=CC2=C(C=C1)SCO2 76474 [2,0,0,0,0,0|0,1,0]=3 130 B10R2.7 C1=CC2=C(C=C1)SCS2 D71935 [2,0,0,0,0,0|0,2,0]=4 131 B12R1.114 CCOC1=C(F)C=C(C=O)C=N1 O11588 [0,1,1,0,0,0|2,0,0]=4 132 B12R1.114 CCOC1=C(O)C=C(C=O)C=C1 A51060 [0,1,1,0,0,0|1,0,0]=3 133 B12R1.288 CCOC1=CC(F)=C(C=O)C=C1 36525 [0,1,1,0,0,0|1,0,0]=3 134 B12R1.270 CCCC1=C(Br)C=CC(C=O)=C1 97132 [0,1,1,0,0,0|2,0,0]=4 135 B12R1.279 CCSC1=CC(C(=O)O)=CC=C1 AT22915 [0,1,1,0,0,0|1,1,0]=4 136 B12R1.279 NCCC1=CC=CC(C(=O)O)=C1 D87884 [0,1,1,0,0,0|2,0,0]=4 137 B12R1.48 CCC1=C(Br)C=C(C(C)=O)C=C1 F17056 [0,1,1,0,0,0|2,0,0]=4 138 B12R1.48 CCC1=C(I)C=C(C(=O)O)C=C1 I11380 [0,1,1,0,0,0|2,0,0]=4 139 B12R1.48 CNC1=C(Br)C=C(C(=O)O)C=C1 O10956 [0,1,1,0,0,0|2,0,0]=4 140 B12R1.48 COC1=C(O)N=C([N+](=O)[O-])C=C1 D74374 [0,1,1,0,0,0|2,0,0]=4 141 B12R1.48 COC1=CN=C(C(=O)O)C=C1O 96427 [0,1,1,0,0,0|1,0,0]=3 142 B12R1.78 COC1=C(OC)C=C(CN)C=C1 N14221 [0,1,1,0,0,0|1,0,1]=4 143 B12R1.78 COC1=NC=C(C=O)C=C1C#N 91341 [0,1,1,0,0,0|2,0,0]=4 144 B12R1.450 COC1=C(Br)C=C(C=O)C(F)=C1 D78772 [0,1,1,0,0,0|1,0,0]=3 145 B12R1.450 COC1=C(Br)C=C(C=O)C(N)=C1 F15880 [0,1,1,0,0,0|1,0,0]=3 146 B12R1.450 COC1=C(Cl)C=C(C=O)C(C)=C1 D96249 [0,1,1,0,0,0|1,0,0]=3 147 B12R1.450 COC1=C(Cl)C=C(C=O)C(Cl)=C1 F17589 [0,1,1,0,0,0|1,0,0]=3 148 B12R1.452 CN(C)C1=C(Cl)C=C(C=O)C=C1 AT16362 [0,1,1,0,0,0|2,0,0]=4 149 B12R1.56 COC1=C(Br)C=CC(C(=N)N)=C1 56647 [0,1,1,0,0,0|2,0,0]=4 150 B12R1.56 COC1=C(Br)C=CC(C(N)=O)=N1 96346 [0,1,1,0,0,0|2,0,0]=4 151 B12R1.56 COC1=C(O)C=CC([C@H](C)N)=C1 N14804 [0,1,1,0,0,0|1,0,1]=4 152 B12R1.56 COC1=C(O)C=CC([C@H](C)N)=C1 N14805 [0,1,1,0,0,0|1,0,1]=4 153 B12R1.56 COC1=CC(C(=O)O)=CN=C1Br AT21522 [0,1,1,0,0,0|2,0,0]=4 154 B12R1.56 COC1=CC(C(=O)O)=CN=C1F 91701 [0,1,1,0,0,0|2,0,0]=4 155 B12R1.300 COC1=C(F)C(C)=CC(C=O)=C1 97135 [0,1,1,0,0,0|1,0,0]=3 156 B12R1.449 COC1=C(Cl)C=C(O)C(C=O)=C1 AC1919 [0,1,1,0,0,0|1,0,0]=3 157 B12R1.654 COC1=C(Cl)C(C=O)=CN=C1F 91698 [0,1,1,0,0,0|2,0,0]=4 158 B12R2.82 NC1=C(F)C=CC2=C1OCO2 D79267 [1,1,0,0,0,0|1,0,0]=3 159 B12R2.100 NC1=CC2=C(C=C1N)OCO2 D74701 [1,1,0,0,0,0|1,0,0]=3 160 B12R2.132 CC1=CC2=C(C=C1)OC[C@@H]2N N16524 [1,1,0,0,0,0|1,0,1]=4 161 B12R2.132 CC1=CC2=C(C=C1)OC[C@@H]2N N16525 [1,1,0,0,0,0|1,0,1]=4 162 B12R2.132 CC1=CC2=C(C=C1)OC[C@@H]2N N16526 [1,1,0,0,0,0|1,0,1]=4 163 B12R2.132 NC1=CC2=C(C=C1)OC[C@@H]2N N14632 [1,1,0,0,0,0|2,0,0]=4 164 B12R2.132 NC1=CC2=C(C=C1)OC[C@@H]2N N14633 [1,1,0,0,0,0|2,0,0]=4 165 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 N11239 [1,1,0,0,0,0|2,0,0]=4 166 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 N16518 [1,1,0,0,0,0|2,0,0]=4 167 B12R2.132 N[C@H]1COC2=C1C=C(Cl)C=C2 52525 [1,1,0,0,0,0|2,0,0]=4 168 B12R2.132 N[C@H]1COC2=C1C=C(Cl)C=C2 N16514 [1,1,0,0,0,0|2,0,0]=4 169 B12R2.132 N[C@H]1COC2=C1C=C(Cl)C=C2 N16515 [1,1,0,0,0,0|2,0,0]=4 170 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 N11261 [1,1,0,0,0,0|2,0,0]=4 171 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 52578 [1,1,0,0,0,0|2,0,0]=4 172 B12R2.132 O[C@H]1COC2=C1C=C(Br)C=C2 AT23850 [1,1,0,0,0,0|2,0,0]=4 173 B12R2.246 FC1=CC(F)=C2OCCC2=C1 H10353 [1,1,0,0,0,0|2,0,0]=4 174 B12R2.246 NC1=C2OCCC2=CC(F)=C1 88988 [1,1,0,0,0,0|2,0,0]=4 175 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 N11326 [1,1,0,0,0,0|1,0,1]=4 176 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 N16521 [1,1,0,0,0,0|1,0,1]=4 177 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 N16523 [1,1,0,0,0,0|1,0,1]=4 178 B12R2.612 NC1=CC2=C(C=C1)[C@@H](N)CO2 N14630 [1,1,0,0,0,0|2,0,0]=4 179 B12R2.612 NC1=CC2=C(C=C1)[C@@H](N)CO2 N14631 [1,1,0,0,0,0|2,0,0]=4 180 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 N11256 [1,1,0,0,0,0|2,0,0]=4 181 B12R2.612 O[C@H]1COC2=C1C=CC(Cl)=C2 AT21520 [1,1,0,0,0,0|2,0,0]=4 182 B14R2.112 NCCC1=CC2=C(C=C1)OCCO2 C80003 [0,1,0,0,0,1|1,0,1]=4 183 B14R2.134 C[C@H]1CCC2=C(C=C(C=O)C=C2)O1 94714 [0,1,0,0,0,1|1,0,0]=3 184 B14R2.781 CC(=O)C1=CC2=C(C=C1)OCCC2 N12807 [0,1,0,0,0,1|1,0,0]=3 185 B14R2.781 C[C@H](Cl)C1=CC2=C(C=C1)OCCO2 92471 [0,1,0,0,0,1|1,0,1]=4 186 B14R2.781 C[C@H](N)C1=CC2=C(C=C1)OCCO2 N14852 [0,1,0,0,0,1|1,0,1]=4 187 B14R2.781 C[C@H](N)C1=CC2=C(C=C1)OCCO2 N14853 [0,1,0,0,0,1|1,0,1]=4 188 B14R2.781 C[C@H](O)C1=CC2=C(C=C1)OCCO2 92470 [0,1,0,0,0,1|0,0,2]=4 189 B14R2.781 O=C(O)C1=CC2=C(C=C1)NCCO2 AT20503 [0,1,0,0,0,1|1,0,0]=3 190 B14R2.781 O=[N+]([O-])C1=CC2=C(C=C1)NCCO2 AT20463 [0,1,0,0,0,1|2,0,0]=4 191 B14R2.2332 CN1CCC2=C(C=CC(C=O)=C2)C1 98420 [0,1,0,0,0,1|2,0,0]=4 192 B14R2.2332 O=CC1=CC2=C(C=C1)NC(=O)CC2 F30681 [0,1,0,0,0,1|2,0,0]=4 193 B14R2.2332 O=CC1=CC2=C(C=C1)NC(=O)CO2 94700 [0,1,0,0,0,1|1,0,0]=3 194 B14R2.2332 O=CC1=CC2=C(C=C1)OC(=O)C=C2 F14768 [0,1,0,0,0,1|1,0,1]=4 195 B14R2.601 CC(=O)C1=CC2=C(C=C1)C[C@H](O)C2 F53646 [0,2,0,0,0,0|2,0,0]=4 196 B14R2.601 O=C(O)C1=CC2=C(C=C1)N=C(S)O2 F50796 [0,2,0,0,0,0|1,0,1]=4 197 B14R2.601 O=C(O)C1=CC2=C(C=C1)OC(S)=N2 F50795 [0,2,0,0,0,0|1,0,1]=4 198 B14R2.624 CC1=C(C(=O)O)C=C2OCOC2=C1 C15873 [0,2,0,0,0,0|0,0,0]=2 199 B14R2.966 COC(=O)C1=CC2=C(C=C1)NCC2 AT26642 [0,2,0,0,0,0|2,0,0]=4 200 B14R2.966 O=C(CBr)C1=CC2=C(C=C1)CCC2 AT13428 [0,2,0,0,0,0|2,0,0]=4 201 B14R2.966 O=C(CBr)C1=CC2=C(C=C1)OCC2 C11350 [0,2,0,0,0,0|1,0,0]=3 202 B14R2.966 O=C(CCl)C1=CC2=C(C=C1)NCC2 F17753 [0,2,0,0,0,0|2,0,0]=4 203 B14R2.8824 O=C(O)C1=CC(O)=C2C=COC2=C1 AT21714 [0,2,0,0,0,0|1,0,1]=4 204 B14R2.991 CNCCC1=CC2=C(C=C1)OCO2 AC6162 [0,2,0,0,0,0|1,0,1]=4 205 B14R2.1008 CC(=O)NC1=CC2=C(C=C1)CCC2 93173 [0,2,0,0,0,0|2,0,0]=4 206 B14R2.1008 C[C@H](O)CC1=CC2=C(C=C1)OCO2 W16411 [0,2,0,0,0,0|0,0,2]=4 207 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)CCC2 W10203 [0,2,0,0,0,0|2,0,0]=4 208 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)CCO2 C14900 [0,2,0,0,0,0|1,0,0]=3 209 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)ON=C2 F30266 [0,2,0,0,0,0|2,0,0]=4 210 B14R2.1101 COC1=CC(OC)=C2OCOC2=C1 D73791 [0,2,0,0,0,0|2,0,0]=4 211 B14R2.3303 CC1(C)CC2=C(C=CC(C=O)=C2)O1 AT23973 [0,2,0,0,0,0|1,0,0]=3 212 B12R2.315 COC1=C2OCOC2=CC=C1 F51131 [0,0,1,1,0,0|2,0,0]=4 213 B12R2.315 O=CC1=C2CCCC2=CC=C1 N10682 [0,0,1,1,0,0|2,0,0]=4 214 B12R2.315 O=CC1=C2CCCC2=CC=C1 Y10694 [0,0,1,1,0,0|2,0,0]=4 215 B14R3.3046 C1=CC2=C(OCO2)C3=C1CNC3 56263 [0,1,0,1,0,0|1,0,1]=4 216 B14R3.3015 C1=CC2=C(C=C1C3CC3)OCO2 AC9453 [0,1,0,1,0,0|1,0,1]=4 217 B14R3.3022 C1=CC2=CC3=C(C=C2C1)OCO3 94586 [0,1,0,1,0,0|1,0,0]=3 218 B10R1.96 CCOC1=CC=C(C=O)O1 AT17093 [0,0,1,0,1,0|2,0,0]=4 219 B10R1.96 O=CC1=CC=C(CCO)S1 F19778 [0,0,1,0,1,0|2,0,0]=4 220 B12R2.24 BrC1=CC2=C(C=C1)OCCN2 51779 [1,0,0,0,0,1|2,0,0]=4 221 B12R2.24 CC1=CC2=C(C=C1)NCCO2 AC6673 [1,0,0,0,0,1|1,0,1]=4 222 B12R2.24 CC1=CC2=C(C=C1)OCCN2 VT1288 [1,0,0,0,0,1|1,0,1]=4 223 B12R2.24 ClC1=CC2=C(C=C1)COCC2 N14606 [1,0,0,0,0,1|2,0,0]=4 224 B12R2.24 FC1=CC2=C(C=C1)COCC2 N14605 [1,0,0,0,0,1|2,0,0]=4 225 B12R2.24 NC1=CC2=C(C=C1)NCCO2 AC6390 [1,0,0,0,0,1|2,0,0]=4 226 B12R2.24 NC1=CC2=C(C=C1)OCCN2 AC5752 [1,0,0,0,0,1|2,0,0]=4 227 B12R2.24 NC1=CC=C2OCCOC2=N1 AC9542 [1,0,0,0,0,1|2,0,0]=4 228 B12R2.24 NC1=CN=C2OCCOC2=C1 AT11177 [1,0,0,0,0,1|2,0,0]=4 229 B12R2.24 OC1=CC2=C(C=C1)NCCO2 P20506 [1,0,0,0,0,1|1,0,1]=4