0 B12R1.270 CCCC1=C(Br)C=CC(C=O)=C1 97132 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.182 CCCC1=C(Br)C=CC(O)=C1 57995 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.182 CCOC1=C(Br)C=NC(N)=C1 D73618 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.182 CCOC1=C(F)C=CC(Br)=C1 H11056 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.182 CCOC1=CC(Br)=CN=C1N 92665 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.182 CCOC1=CC(Br)=NC=C1F AT26884 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.189 CCCC1=CC=CC(OC)=C1 AC9509 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.189 CCOC1=CC(C=O)=CN=C1 N12988 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.189 CCOC1=CC(C=O)=NC=C1 C15039 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.189 CCOC1=CC(CN)=CC=C1 N12140 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.189 CCOC1=NC=CC(C=O)=C1 AT18194 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.189 CCSC1=CC(C#N)=CC=C1 AT20900 [1,0,0,0,0,0|1,1,1]=4 12 B11R1.280 CCC1=C(F)C=CC(C=O)=C1 97122 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.280 CCC1=CC(OC)=C(F)C=C1 57977 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.280 COC1=C(Br)C=CC(C=O)=N1 D70757 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.280 COC1=C(F)C=CC(CN)=C1 CK2401 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.280 COC1=C(I)C=CC(CO)=C1 97841 [1,0,0,0,0,0|1,0,2]=4 17 B11R1.280 COC1=C(S)C=CC(C=O)=C1 AT20890 [1,0,0,0,0,0|0,1,0]=2 18 B11R1.280 COC1=CC=C(O)C(OC)=N1 C16610 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.280 N#CC1=C(N)C=CC(C=O)=C1 AT22957 [1,0,0,0,0,0|2,0,1]=4 20 B13R1.97 CC(C)OC1=C(Br)C=CC(C=O)=C1 N10028 [0,1,0,0,0,0|1,0,0]=2 21 B13R1.97 CC1=C(OC(F)F)C=C(C=O)C=C1 AT12918 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.97 COC1=CC(OC(C)C)=C(N)C=C1 95907 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.354 CCNC1=C(F)C=CC(C(N)=O)=C1 72299 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.354 CCOC1=C(Br)C=CC(C(=O)O)=C1 D85821 [0,1,0,0,0,0|1,0,0]=2 25 B13R1.354 CCOC1=C(C)C=CC(B(O)O)=C1 I12136 [0,1,0,0,0,0|2,0,1]=4 26 B13R1.354 CCOC1=C(N)C=CC(C(N)=O)=C1 W10061 [0,1,0,0,0,0|1,0,0]=2 27 B13R1.384 CCOC1=C(O)C=CC(CCN)=C1 I11620 [0,1,0,0,0,0|1,0,1]=3 28 B13R1.558 CCOCC1=C(Br)C=CC(C=O)=C1 P16925 [0,1,0,0,0,0|1,0,0]=2 29 B13R1.2900 CCOC1=CC(C#N)=C(Br)C=C1O 76846 [0,1,0,0,0,0|1,0,1]=3 30 B13R2.57 N#CC1=CC2=C(C=C1)OCCN2 O10913 [0,0,0,1,0,0|2,0,1]=4 31 B13R2.57 N#CC1=CN=C2OCCOC2=C1 H10112 [0,0,0,1,0,0|2,0,1]=4 32 B13R2.57 NNC1=CC2=C(C=C1)OCCO2 AC6897 [0,0,0,1,0,0|2,0,0]=3 33 B13R2.57 O=CC1=CC2=C(C=C1)CCOC2 94694 [0,0,0,1,0,0|3,0,0]=4 34 B13R2.57 O=CC1=CC2=C(C=C1)COCC2 94695 [0,0,0,1,0,0|3,0,0]=4 35 B13R2.57 O=CC1=NC=C2OCCOC2=C1 C75201 [0,0,0,1,0,0|1,0,0]=2 36 B13R2.2121 CC1=CC2=C(C=CC(C=O)=C2)N1 96764 [0,0,0,1,0,0|2,0,1]=4 37 B13R2.2169 O=CC1=CC(C2CC2)=C(F)C=C1 97123 [0,0,0,1,0,0|2,0,0]=3 38 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.4 CCNC1=C(F)C=CC=C1 D87863 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.4 CCNC1=CC=CN=C1O F30124 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.4 CCOC1=C(C)C=CN=C1 AC4346 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.4 CCOC1=C(F)C=CC=N1 F53248 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.4 CCOC1=CC=CN=C1Cl W17868 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.4 CCSC1=C(Br)C=CC=C1 AT20838 [2,0,0,0,0,0|1,1,0]=4 45 B10R1.4 CCSC1=C(O)C=CC=C1 AT20889 [2,0,0,0,0,0|0,1,0]=3 46 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.10 CCNC1=CC=CC(Cl)=C1 L10102 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.10 CCNC1=CC=CC(O)=C1 F16135 [2,0,0,0,0,0|1,0,1]=4 49 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [2,0,0,0,0,0|0,1,0]=3 50 B10R1.10 CCSC1=CC(N)=CC=C1 AT20857 [2,0,0,0,0,0|1,1,0]=4 51 B10R1.30 CCC1=C(C)C=CC(C)=C1 T71937 [2,0,0,0,0,0|1,0,1]=4 52 B10R1.30 CNC1=C(O)C=CC(C)=C1 C16345 [2,0,0,0,0,0|1,0,1]=4 53 B10R1.30 COC1=C(C)C=CC(O)=C1 AT19376 [2,0,0,0,0,0|1,0,1]=4 54 B10R1.30 COC1=C(S)C=CC(N)=C1 D87749 [2,0,0,0,0,0|1,1,0]=4 55 B10R1.30 NCC1=C(O)C=CC(Br)=C1 76231 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.172 C=CC1=CC=CC(OC)=N1 52911 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.172 CCC1=CC=CC(CO)=C1 D85939 [2,0,0,0,0,0|0,0,2]=4 58 B10R1.172 COC1=CC=NC(C=O)=N1 AT18294 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.172 O=CC1=NC=CC(CO)=C1 60952 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14330 [2,0,0,0,0,0|1,0,1]=4 61 B10R1.176 CCC1=CC(O)=C(O)C=C1 70407 [2,0,0,0,0,0|1,0,1]=4 62 B10R1.176 CSC1=CC(C)=C(O)C=C1 AT20904 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.176 O=CC1=CC(Br)=C(I)C=C1 AT26050 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.176 O=CC1=CC(I)=C(Br)C=C1 AT23715 [2,0,0,0,0,0|2,0,0]=4 65 B12R1.127 CC(C)OC1=C(N)C=CC(Br)=C1 53627 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.127 CC(C)OC1=C(N)C=CC(Cl)=C1 95905 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.354 CC[C@H](N)C1=C(O)C=CC(C)=C1 N14793 [1,1,0,0,0,0|1,0,1]=4 68 B12R1.374 CCOCC1=C(Br)C=CC(F)=C1 N10175 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.374 CCOCC1=C(F)C=CC(Br)=C1 N10200 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.374 ClC1=CC(OCCBr)=C(Br)C=C1 AT20088 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.1123 CCOC1=C(Br)C=C(F)C(F)=C1 F15516 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.41 COCC1=CC(Br)=CC(C=O)=C1 AT26794 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.279 CCOC1=CC([C@H](C)N)=CC=C1 N12264 [1,1,0,0,0,0|1,0,1]=4 74 B12R1.279 CCSC1=CC(C(=O)O)=CC=C1 AT22915 [1,1,0,0,0,0|0,1,0]=3 75 B12R1.279 CNCC1=CC=CC(C(N)=O)=C1 C78630 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.279 NCCC1=CC=CC(C(=O)O)=C1 D87884 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.286 CCOC1=CC(OC)=C(N)C=C1 N14332 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.438 CC(=O)NC1=CC(C=O)=CC=C1 A11079 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.56 CC(=O)C1=CC(CBr)=C(Br)C=C1 N16965 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.56 CC(=O)C1=CC(CCl)=C(Br)C=C1 F16009 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.56 CC(=O)C1=CC(CO)=C(Br)C=C1 AT15931 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.56 CCC1=C(F)C=CC([N+](=O)[O-])=C1 D84265 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.56 CCC1=C(N)C=CC([N+](=O)[O-])=C1 C13883 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.56 CCC1=C(O)C=CC(B(O)O)=C1 N11749 [1,1,0,0,0,0|1,0,1]=4 85 B12R1.56 CCN1C=C(C(=O)O)C=CC1=O AT13776 [1,1,0,0,0,0|1,0,1]=4 86 B12R1.56 COC1=C(Br)C=CC(C(=N)N)=C1 56647 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.56 COC1=C(Br)C=CC(C(N)=O)=N1 96346 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.56 COC1=C(O)C=CC([C@H](C)N)=C1 N14804 [1,1,0,0,0,0|1,0,1]=4 89 B12R1.56 COC1=C(O)C=CC([C@H](C)N)=C1 N14805 [1,1,0,0,0,0|1,0,1]=4 90 B12R1.56 COC1=CC(C(=O)O)=CN=C1Br AT21522 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.56 COC1=CC(C(=O)O)=CN=C1F 91701 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.78 COC1=C(OC)C=C(CN)C=C1 N14221 [1,1,0,0,0,0|1,0,1]=4 93 B12R1.300 CCC1=C(O)C(C)=CC(C#N)=C1 85548 [1,1,0,0,0,0|1,0,1]=4 94 B12R1.300 COC1=C(F)C(C)=CC(C=O)=C1 97135 [1,1,0,0,0,0|1,0,0]=3 95 B12R1.449 COC1=C(Cl)C=C(O)C(C=O)=C1 AC1919 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.453 COC1=CC([C@H](C)N)=C(O)C=C1 N12705 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.453 COC1=CC([C@H](C)N)=C(O)C=C1 N14812 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.654 COC1=C(Cl)C(C=O)=CN=C1F 91698 [1,1,0,0,0,0|2,0,0]=4 99 B14R1.676 CC(C)OC1=C(F)C=CC([N+](=O)[O-])=C1 AT11981 [0,2,0,0,0,0|2,0,0]=4 100 B14R1.676 CC1=C(OC(F)F)C=C(C(=O)O)C=C1 AT12898 [0,2,0,0,0,0|2,0,0]=4 101 B14R1.881 O=CC1=CC(OC(F)F)=C(F)C=C1F C90836 [0,2,0,0,0,0|2,0,0]=4 102 B14R1.601 CCOC(=O)C1=C(O)C=CC(C=O)=C1 S11640 [0,2,0,0,0,0|0,0,0]=2 103 B12R2.24 BrC1=CC2=C(C=C1)OCCN2 51779 [1,0,0,1,0,0|2,0,0]=4 104 B12R2.24 CC1=CC2=C(C=C1)NCCO2 AC6673 [1,0,0,1,0,0|1,0,1]=4 105 B12R2.24 CC1=CC2=C(C=C1)OCCN2 VT1288 [1,0,0,1,0,0|1,0,1]=4 106 B12R2.24 NC1=CC2=C(C=C1)NCCO2 AC6390 [1,0,0,1,0,0|2,0,0]=4 107 B12R2.24 NC1=CC2=C(C=C1)OCCN2 AC5752 [1,0,0,1,0,0|2,0,0]=4 108 B12R2.24 NC1=CC=C2OCCOC2=N1 AC9542 [1,0,0,1,0,0|2,0,0]=4 109 B12R2.24 NC1=CN=C2OCCOC2=C1 AT11177 [1,0,0,1,0,0|2,0,0]=4 110 B12R2.24 OC1=CC2=C(C=C1)NCCO2 P20506 [1,0,0,1,0,0|1,0,1]=4 111 B12R2.221 OC1=C2CCCC2=C(Br)C=C1 AT25822 [1,0,0,1,0,0|2,0,0]=4 112 B12R2.221 OC1=C2CCCC2=C(F)C=C1 N14302 [1,0,0,1,0,0|2,0,0]=4 113 B12R2.1316 OC1=C(C2CC2)C=C(Br)C=C1 97770 [1,0,0,1,0,0|2,0,0]=4 114 B12R2.43 O=CC1=CN=CC(C2CC2)=C1 AT22122 [1,0,0,1,0,0|2,0,0]=4 115 B12R2.315 O=CC1=C2CCCC2=CC=C1 N10682 [1,0,0,1,0,0|1,0,0]=3 116 B12R2.315 O=CC1=C2CCCC2=CC=C1 Y10694 [1,0,0,1,0,0|1,0,0]=3 117 B14R2.134 C[C@H]1CCC2=C(C=C(C=O)C=C2)O1 94714 [0,1,0,1,0,0|1,0,0]=3 118 B14R2.3303 CC1(C)CC2=C(C=CC(C=O)=C2)O1 AT23973 [0,1,0,1,0,0|1,0,0]=3 119 B14R2.781 CC(=O)C1=CC2=C(C=C1)OCCC2 N12807 [0,1,0,1,0,0|1,0,0]=3 120 B14R2.781 C[C@H](Cl)C1=CC2=C(C=C1)OCCO2 92471 [0,1,0,1,0,0|1,0,1]=4 121 B14R2.781 C[C@H](N)C1=CC2=C(C=C1)OCCO2 N14852 [0,1,0,1,0,0|1,0,1]=4 122 B14R2.781 C[C@H](N)C1=CC2=C(C=C1)OCCO2 N14853 [0,1,0,1,0,0|1,0,1]=4 123 B14R2.781 C[C@H](O)C1=CC2=C(C=C1)OCCO2 92470 [0,1,0,1,0,0|0,0,2]=4 124 B14R2.781 O=C(O)C1=CC2=C(C=C1)NCCO2 AT20503 [0,1,0,1,0,0|1,0,0]=3 125 B14R2.781 O=[N+]([O-])C1=CC2=C(C=C1)NCCO2 AT20463 [0,1,0,1,0,0|2,0,0]=4 126 B14R2.955 O=C(O)C1=CC(C2CC2)=C(F)C=C1 70976 [0,1,0,1,0,0|2,0,0]=4 127 B14R2.1801 COC1=CC2=C(C=C1)[C@@H](O)CCO2 N14460 [0,1,0,1,0,0|2,0,0]=4 128 B14R2.112 NCCC1=CC2=C(C=C1)OCCO2 C80003 [0,1,0,1,0,0|1,0,1]=4 129 B14R2.2332 CN1CCC2=C(C=CC(C=O)=C2)C1 98420 [0,1,0,1,0,0|2,0,0]=4 130 B14R2.2332 O=CC1=CC2=C(C=C1)NC(=O)CO2 94700 [0,1,0,1,0,0|1,0,1]=4 131 B10R1.5 CCCN1C=CC=C1C=O AT16217 [1,0,0,0,1,0|2,0,0]=4 132 B10R1.96 CCOC1=CC=C(C=O)O1 AT17093 [1,0,0,0,1,0|1,0,0]=3 133 B12R1.114 CCOC1=C(F)C=C(C=O)C=N1 O11588 [0,0,0,0,1,1|1,0,0]=3 134 B12R1.114 CCOC1=C(O)C=C(C=O)C=C1 A51060 [0,0,0,0,1,1|0,0,0]=2