0 B11R1.24 CCCOC1=NC=CC(Br)=C1 DY430459 [0,0,0,0,0,0|3,1,0]=4 1 B11R1.24 CCNCC1=CC=CC(O)=C1 DY579381 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.24 CNCCC1=CC(C)=CC=C1 DY520263 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.24 COCOC1=CC=CC(Cl)=C1 DY449110 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.24 FC1=CC=CC(CN=C=S)=C1 DY41079 [0,0,0,0,0,0|3,1,0]=4 5 B11R1.24 FC1=CC=CC(OCCBr)=C1 DY574785 [0,0,0,0,0,0|3,1,0]=4 6 B11R1.24 N#CCOC1=CC(Cl)=CC=C1 DY744883 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.24 NC1=CC=CC(OCCO)=C1 DY557451 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.24 O=C=NCC1=CC(F)=CC=C1 DY790131 [0,0,0,0,0,0|3,1,0]=4 9 B11R1.24 OCCNC1=NC(Cl)=CC=C1 DY653604 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.10 CC#CC1=CC=CC(C)=C1 DY788763 [1,0,0,0,0,0|1,0,2]=4 11 B10R1.10 CC1=CC(CC#N)=CC=C1 NO18941 [1,0,0,0,0,0|1,0,2]=4 12 B10R1.10 CC1=CC(CCN)=NC=C1 DY713209 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.10 CC1=CC(CCO)=CC=C1 NO22372 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.10 CC1=CC=CC(CNN)=C1 DY514611 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.10 CCCC1=CN=CC(O)=C1 DY660255 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.10 CCNC1=NC=CC(Cl)=C1 DY658481 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.10 CCNC1=NC=CC(N)=C1 NO14774 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.10 CCOC1=CC(N)=NC=C1 DY20309 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.10 CCOC1=CC=CC(Cl)=N1 DY655578 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.10 CCSC1=NC(Cl)=NC=C1 DY514233 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.10 CNCC1=CC(Cl)=CC=C1 DY456640 [1,0,0,0,0,0|0,0,0]=1 22 B10R1.10 CNCC1=CC=CC(N)=C1 DY789483 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.10 COCC1=CC(Br)=NC=C1 DY655107 [1,0,0,0,0,0|2,1,0]=4 24 B10R1.10 COCC1=CC(Cl)=NC=N1 DY547875 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.10 COCC1=NC(Cl)=NC=C1 DY516411 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.10 Clc1cccc(CCBr)c1 DY584685 [1,0,0,0,0,0|1,0,0]=2 27 B10R1.10 N#CCC1=CC(Br)=CC=C1 NO18969 [1,0,0,0,0,0|0,1,2]=4 28 B10R1.10 N#CCC1=CC(Cl)=CC=C1 NO13745 [1,0,0,0,0,0|0,0,2]=3 29 B10R1.10 N#CCC1=CC(F)=CC=C1 DY20212 [1,0,0,0,0,0|0,1,2]=4 30 B10R1.10 N#CCC1=CC(I)=CC=C1 DY584378 [1,0,0,0,0,0|0,1,2]=4 31 B10R1.10 NC1=CC=CC(CCO)=C1 NO22105 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.10 NC1=CC=CC(CCO)=N1 DY608453 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.10 NCCC1=CC(Br)=CC=C1 NO15159 [1,0,0,0,0,0|0,1,0]=2 34 B10R1.10 NCCC1=NC(Cl)=CC=C1 DY654324 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.10 NCCc1cccc(O)c1 DY552393 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.10 NNCC1=CC(Cl)=CC=C1 DY544953 [1,0,0,0,0,0|1,0,0]=2 37 B10R1.10 NNCC1=CC(O)=CC=C1 DY10382 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.10 OCCC1=CC(Br)=CC=C1 NO22186 [1,0,0,0,0,0|1,1,0]=3 39 B10R1.10 OCCC1=CC(Cl)=CC=C1 NO22241 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.10 OCCC1=NC(Cl)=CC=C1 DY531777 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.17 BrCCCC1=CC=CN=C1 DY604503 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.17 BrCCOC1=CC=CC=C1 DY20150 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.17 CCCC[N+]1=CC=CC=C1 DY538095 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.17 CCOCC1=CC=NC=C1 DY657931 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.17 CNCCC1=CC=CC=N1 DY455430 [1,0,0,0,0,0|1,0,0]=2 46 B10R1.17 ClCCCC1=CC=CN=C1 DY656440 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.17 N#C[Se]CC1=CC=CC=C1 DY822032 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.17 NCCCC1=CC=NC=C1 DY425564 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.17 NCCOC1=CC=CC=C1 NO20484 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.17 NNCCc1ccccc1 DY527511 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.17 O=C=NCC1=CC=CC=C1 DY585959 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.17 O=CCCC1=CC=CN=C1 DY585487 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.17 O=CCSC1=CC=CC=C1 DY566091 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.17 OCCCC1=CC=NC=C1 NO22019 [1,0,0,0,0,0|3,0,0]=4 55 B12R1.17 CC1=CC=CC(C(N)CCO)=C1 DY788349 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.17 CNCC(O)C1=CC=CC(O)=C1 DY526923 [0,1,0,0,0,0|1,0,0]=2 57 B12R1.17 CNC[C@H](O)c1cccc(O)c1 DY562101 [0,1,0,0,0,0|1,0,0]=2 58 B12R1.17 N#CCC(=O)C1=CC(Cl)=CC=C1 NO21429 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.17 NC(CCO)C1=CC(Cl)=CC=C1 NO19263 [0,1,0,0,0,0|2,0,0]=3 60 B12R1.25 FC1=CC=CC(CCCBr)=C1Cl DY748747 [0,1,0,0,0,0|2,1,0]=4 61 B12R1.28 COCCOC1=CC(Cl)=NC=C1 DY714698 [0,1,0,0,0,0|2,0,0]=3 62 B12R1.28 NCCCOC1=CC(Cl)=CC=C1 DY425612 [0,1,0,0,0,0|2,0,0]=3 63 B12R1.50 CCC(C)OC1=NC=CC(Cl)=C1 DY654774 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 NO20169 [0,1,0,0,0,0|1,1,1]=4 65 B12R1.50 COC(=O)CC1=CC(I)=CC=C1 DY584475 [0,1,0,0,0,0|1,1,1]=4 66 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 NO15979 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.50 N[C@H](CO)CC1=CC(Cl)=CC=C1 DY624403 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.100 COCOC1=CC(Br)=CC(Cl)=C1 DY449050 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.100 O=CCCC1=CC(Cl)=CC(Cl)=C1 DY582471 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 NO21658 [0,1,0,0,0,0|2,1,0]=4 71 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 NO13948 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.374 COCOC1=C(Br)C=CC(C)=C1 DY449014 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.374 COCOC1=C(Br)C=CC(F)=C1 DY449056 [0,1,0,0,0,0|2,1,0]=4 74 B12R1.374 FC1=CC(CCCBr)=C(Cl)C=C1 DY748735 [0,1,0,0,0,0|2,1,0]=4 75 B12R1.382 C#CCCC1=CC(OC)=CC=C1 DY569085 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.382 CSC1=CC=CC(CCC#N)=C1 DY748681 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.382 N#CCCC1=CC(CO)=CC=C1 DY748957 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.385 FC1=C(Cl)C=CC(CCCBr)=C1 DY748723 [0,1,0,0,0,0|2,1,0]=4 79 B12R1.385 FC1=C(I)C=CC(CCCCl)=C1 DY748729 [0,1,0,0,0,0|2,1,0]=4 80 B12R1.385 O=CCCC1=CC(Br)=C(F)C=C1 DY513777 [0,1,0,0,0,0|2,1,0]=4 81 B12R1.385 OCCCC1=CC(F)=C(F)C=C1 DY547239 [0,1,0,0,0,0|2,1,0]=4 82 B12R1.385 S=C=NCc1ccc(Cl)c(Cl)c1 DY584545 [0,1,0,0,0,0|3,0,0]=4 83 B12R2.24 BrC1=CC=C2CCCCC2=C1 NO16753 [0,0,0,1,0,0|1,1,0]=3 84 B12R2.24 BrC1=CC=C2CCCNC2=C1 DY784852 [0,0,0,1,0,0|2,1,0]=4 85 B12R2.24 BrC1=CC=C2CCCNC2=C1 NO18621 [0,0,0,1,0,0|2,1,0]=4 86 B12R2.24 BrC1=CC=C2CCNCC2=C1 NO19606 [0,0,0,1,0,0|2,1,0]=4 87 B12R2.24 BrC1=CC=C2CCOCC2=C1 NO16547 [0,0,0,1,0,0|2,1,0]=4 88 B12R2.24 BrC1=CC=C2CNCCC2=C1 NO10618 [0,0,0,1,0,0|0,1,0]=2 89 B12R2.24 BrC1=CC=C2CNCCC2=C1 NO17620 [0,0,0,1,0,0|0,1,0]=2 90 B12R2.24 BrC1=CC=C2COCCC2=C1 DY441107 [0,0,0,1,0,0|1,1,0]=3 91 B12R2.24 BrC1=CC=C2NCCCC2=C1 NO19737 [0,0,0,1,0,0|2,1,0]=4 92 B12R2.24 BrC1=CC=C2OCCCC2=C1 NO19916 [0,0,0,1,0,0|2,1,0]=4 93 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 DY100126 [0,0,0,1,0,0|1,1,0]=3 94 B12R2.24 CC1=CC=C2CCCCC2=C1 NO10746 [0,0,0,1,0,0|2,0,0]=3 95 B12R2.24 CC1=CC=C2CCNCC2=C1 DY553959 [0,0,0,1,0,0|3,0,0]=4 96 B12R2.24 CC1=CC=C2CCNCC2=C1 NO18155 [0,0,0,1,0,0|3,0,0]=4 97 B12R2.24 CC1=CC=C2CNCCC2=C1 DY431469 [0,0,0,1,0,0|1,0,0]=2 98 B12R2.24 ClC1=CC2=C(CCNC2)N=C1 DY674829 [0,0,0,1,0,0|3,0,0]=4 99 B12R2.24 ClC1=CC2=C(CNCC2)N=N1 DY20767 [0,0,0,1,0,0|2,0,0]=3 100 B12R2.24 ClC1=CC=C2CNCCC2=C1 DY549387 [0,0,0,1,0,0|0,0,0]=1 101 B12R2.24 ClC1=CC=C2NCCCC2=C1 NO14585 [0,0,0,1,0,0|2,0,0]=3 102 B12R2.24 ClC1=CC=C2NCCNC2=C1 DY744199 [0,0,0,1,0,0|3,0,0]=4 103 B12R2.24 ClC1=NC2=C(C=C1)CCCC2 NO16899 [0,0,0,1,0,0|2,0,0]=3 104 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 NO12512 [0,0,0,1,0,0|1,0,0]=2 105 B12R2.24 FC1=CC=C2CNCCC2=C1 DY572409 [0,0,0,1,0,0|0,1,0]=2 106 B12R2.24 FC1=CC=C2OCCCC2=C1 DY584315 [0,0,0,1,0,0|2,1,0]=4 107 B12R2.24 IC1=CC=C2CCCNC2=C1 DY450838 [0,0,0,1,0,0|2,1,0]=4 108 B12R2.24 NC1=CC2=C(C=C1)CCCC2 DY541887 [0,0,0,1,0,0|2,0,0]=3 109 B12R2.24 NC1=CC=C2CCCNC2=C1 DY526875 [0,0,0,1,0,0|3,0,0]=4 110 B12R2.24 NC1=NC2=C(C=C1)CCCC2 DY521631 [0,0,0,1,0,0|3,0,0]=4 111 B12R2.24 OC1=CC2=C(C=C1)CCCC2 NO13514 [0,0,0,1,0,0|2,0,0]=3 112 B12R2.24 OC1=CC=C2CCCNC2=C1 NO10898 [0,0,0,1,0,0|3,0,0]=4 113 B12R2.24 OC1=CC=C2CCNCC2=C1 NO17696 [0,0,0,1,0,0|3,0,0]=4 114 B12R2.24 OC1=CC=C2CNCCC2=C1 NO18391 [0,0,0,1,0,0|1,0,0]=2 115 B12R2.80 NC1CC1C2=CC(Cl)=CC=C2 DY744457 [0,0,0,1,0,0|2,0,0]=3 116 B12R2.203 CC1=C2C(=CC=C1)C=NN2C NO17810 [0,0,0,1,0,0|2,0,1]=4 117 B12R2.203 CN1C=NC2=C1C(Cl)=NC=C2 DY761096 [0,0,0,1,0,0|2,0,1]=4 118 B12R2.203 CN1N=CC2=CC=CC(N)=C21 DY444436 [0,0,0,1,0,0|2,0,1]=4 119 B12R2.203 CN1N=CC2=CC=NC(Cl)=C21 DY102722 [0,0,0,1,0,0|2,0,1]=4 120 B12R2.203 NC1CCC2=CC=CC(F)=C21 DY741805 [0,0,0,1,0,0|2,1,0]=4 121 B12R2.203 O=C1CCC2=CC=CC(F)=C12 NO15500 [0,0,0,1,0,0|2,1,0]=4 122 B12R2.203 OC1CCC2=CC=CC(Br)=C21 DY510501 [0,0,0,1,0,0|2,1,0]=4 123 B12R2.612 CN1C=CC2=CC(Br)=CC=C21 NO10246 [0,0,0,1,0,0|0,1,2]=4 124 B12R2.612 CN1C=NC2=C1C=CC(F)=C2 DY750529 [0,0,0,1,0,0|1,1,1]=4 125 B12R2.612 CN1C=NC2=C1C=NC(Cl)=C2 NO17217 [0,0,0,1,0,0|2,0,1]=4 126 B12R2.612 CN1CCC2=CC(F)=CC=C21 DY630394 [0,0,0,1,0,0|0,1,0]=2 127 B12R2.612 CN1CCC2=CC(N)=CC=C21 DY629369 [0,0,0,1,0,0|1,0,0]=2 128 B12R2.612 CN1N=CC2=CC(Br)=CC=C21 DY41765 [0,0,0,1,0,0|1,1,1]=4 129 B12R2.612 CN1N=CC2=CC(N)=CC=C21 NO18338 [0,0,0,1,0,0|2,0,1]=4 130 B12R2.612 CN1N=CC2=CC(O)=CC=C21 NO13076 [0,0,0,1,0,0|2,0,1]=4 131 B12R2.612 CN1N=NC2=C1C=CC(N)=C2 DY603837 [0,0,0,1,0,0|3,0,0]=4 132 B12R2.612 ClC1CCC2=CC(Br)=CC=C21 NO16081 [0,0,0,1,0,0|2,1,0]=4 133 B12R2.612 NC1CCC2=CC(F)=CC=C21 DY431475 [0,0,0,1,0,0|2,1,0]=4 134 B12R2.612 NN1C=CC2=CC(Cl)=CC=C21 DY728353 [0,0,0,1,0,0|1,0,2]=4 135 B12R2.612 N[C@@H]1CCC2=CC(Cl)=CC=C21 DY572883 [0,0,0,1,0,0|2,0,0]=3 136 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 NO21498 [0,0,0,1,0,0|2,1,0]=4 137 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 NO22043 [0,0,0,1,0,0|2,0,0]=3 138 B12R2.612 O=C1CCC2=CC(Cl)=CN=C12 DY674865 [0,0,0,1,0,0|3,0,0]=4 139 B12R2.612 O=C1CCC2=CC(F)=CC=C12 DY10164 [0,0,0,1,0,0|2,1,0]=4 140 B12R2.612 O=C1CCC2=CC(O)=CC=C12 NO11017 [0,0,0,1,0,0|3,0,0]=4 141 B12R2.612 O=C1COC2=C1C=CC(Cl)=C2 NO15082 [0,0,0,1,0,0|3,0,0]=4 142 B12R2.612 O=C1NCC2=CC(Cl)=CC=C12 NO10349 [0,0,0,1,0,0|3,0,0]=4 143 B12R2.612 O=C1OCC2=CC(Cl)=CC=C12 DY751351 [0,0,0,1,0,0|3,0,0]=4 144 B12R2.1081 BrC1=C2CCCCC2=CC=C1 DY768527 [0,0,0,1,0,0|1,1,0]=3 145 B12R2.1081 BrC1=C2CCCNC2=CC=C1 NO18620 [0,0,0,1,0,0|2,1,0]=4 146 B12R2.1081 BrC1=C2CCCOC2=CC=C1 DY677682 [0,0,0,1,0,0|2,1,0]=4 147 B12R2.1081 BrC1=C2CCNCC2=CC=C1 NO19342 [0,0,0,1,0,0|2,1,0]=4 148 B12R2.1081 BrC1=C2CNCCC2=CC=C1 NO12481 [0,0,0,1,0,0|0,1,0]=2 149 B12R2.1081 BrC1=C2CNCCC2=CC=C1 NO15449 [0,0,0,1,0,0|0,1,0]=2 150 B12R2.1081 BrC1=C2OCCCC2=CC=C1 DY551733 [0,0,0,1,0,0|2,1,0]=4 151 B12R2.1081 CC1=C2NCCCC2=CC=C1 DY784858 [0,0,0,1,0,0|3,0,0]=4 152 B12R2.1081 ClC1=C2CCC=CC2=CC=C1 DY764075 [0,0,0,1,0,0|1,0,2]=4 153 B12R2.1081 ClC1=C2CCCNC2=CC=C1 NO19411 [0,0,0,1,0,0|2,0,0]=3 154 B12R2.1081 ClC1=C2CNCCC2=CC=C1 NO17691 [0,0,0,1,0,0|0,0,0]=1 155 B12R2.1081 ClC1=CC=NC2=C1CCCC2 NO16900 [0,0,0,1,0,0|2,0,0]=3 156 B12R2.1081 Clc1ncnc2c1CNCC2 DY100168 [0,0,0,1,0,0|2,0,0]=3 157 B12R2.1081 FC1=C2CCNCC2=CC=C1 NO19337 [0,0,0,1,0,0|2,1,0]=4 158 B12R2.1081 NC1=C2CNCCC2=CC=C1 DY580317 [0,0,0,1,0,0|1,0,0]=2 159 B12R2.1081 NC1=NC=CC2=C1CCCC2 DY677007 [0,0,0,1,0,0|3,0,0]=4 160 B12R2.2313 FC1=CC=CC(C2CCN2)=C1 DY586321 [0,0,0,1,0,0|2,1,0]=4 161 B10R1.29 CCCCC1=C(Br)SC=C1 DY524589 [0,0,0,0,1,0|2,1,0]=4 162 B9R1.2 BrCC1=CC=CC(Br)=C1 NO19344 [2,0,0,0,0,0|1,1,0]=4 163 B9R1.2 CC1=CC(CN)=CC=C1 NO19644 [2,0,0,0,0,0|1,0,0]=3 164 B9R1.2 CC1=CC(NN)=CC=C1 NO19574 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.2 CC1=CC=CC(CN)=N1 NO18414 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.2 CCC1=CC(C)=CN=C1 DY657240 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.2 CCC1=CC=CC(Br)=N1 NO15322 [2,0,0,0,0,0|1,1,0]=4 168 B9R1.2 CCC1=CC=CC(Cl)=C1 DY584271 [2,0,0,0,0,0|0,0,0]=2 169 B9R1.2 CCC1=CN=CC(Br)=C1 NO11907 [2,0,0,0,0,0|1,1,0]=4 170 B9R1.2 CCC1=CN=CC(Cl)=N1 DY447143 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.2 CCC1=NC=CC(Br)=C1 DY658183 [2,0,0,0,0,0|1,1,0]=4 172 B9R1.2 CNC1=CC(Br)=CC=C1 NO22185 [2,0,0,0,0,0|0,1,0]=3 173 B9R1.2 CNC1=CC(Cl)=CC=C1 DY20486 [2,0,0,0,0,0|0,0,0]=2 174 B9R1.2 CNC1=CC(I)=CC=C1 DY563655 [2,0,0,0,0,0|0,1,0]=3 175 B9R1.2 CNC1=CC(N)=CC=C1 NO16640 [2,0,0,0,0,0|1,0,0]=3 176 B9R1.2 CNC1=CC=CC(O)=C1 DY442233 [2,0,0,0,0,0|1,0,0]=3 177 B9R1.2 CNC1=NC(Cl)=CN=C1 NO10695 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.2 CNC1=NC=CC(F)=C1 DY714974 [2,0,0,0,0,0|1,1,0]=4 179 B9R1.2 CNC1=NC=CC(I)=C1 DY452194 [2,0,0,0,0,0|1,1,0]=4 180 B9R1.2 CNC1=NC=CC(N)=C1 NO16967 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.2 COC1=CC(Cl)=NC=C1 NO19311 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.2 COC1=CC=CC(Cl)=C1 NO19894 [2,0,0,0,0,0|1,0,0]=3 183 B9R1.2 COC1=CC=CC(Cl)=N1 NO13826 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.2 COC1=CC=CC(F)=C1 NO19929 [2,0,0,0,0,0|1,1,0]=4 185 B9R1.2 COC1=CC=CC(N)=C1 NO19943 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.2 COC1=CC=CC(O)=C1 NO18747 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.2 COC1=NC=CC(Cl)=C1 NO19313 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.2 CSC1=CC(N)=CC=C1 DY20570 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.2 CSC1=NC=CC(Cl)=C1 NO12493 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.2 ClC1=CC=CC(CBr)=C1 NO22235 [2,0,0,0,0,0|1,0,0]=3 191 B9R1.2 ClC1=NC=CC(CBr)=C1 DY657889 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.2 ClCC1=CC(Br)=CC=C1 DY40579 [2,0,0,0,0,0|1,1,0]=4 193 B9R1.2 ClCc1cccc(I)c1 DY585080 [2,0,0,0,0,0|1,1,0]=4 194 B9R1.2 FC1=CC=CC(CCl)=C1 NO19068 [2,0,0,0,0,0|1,1,0]=4 195 B9R1.2 N#CC1=CC(Cl)=CC=C1 NO19319 [2,0,0,0,0,0|0,0,2]=4 196 B9R1.2 NC1=CC=CC(CO)=C1 NO18821 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.2 NCC1=CC(Br)=CC=C1 NO19652 [2,0,0,0,0,0|0,1,0]=3 198 B9R1.2 NCC1=CC(Br)=NC=C1 NO17247 [2,0,0,0,0,0|1,1,0]=4 199 B9R1.2 NCC1=CC(Cl)=CC=C1 DY33134 [2,0,0,0,0,0|0,0,0]=2 200 B9R1.2 NCC1=CC(Cl)=NC=C1 NO16037 [2,0,0,0,0,0|1,0,0]=3 201 B9R1.2 NCC1=CC(I)=CC=C1 DY584527 [2,0,0,0,0,0|0,1,0]=3 202 B9R1.2 NCC1=CC(I)=CC=C1 NO22330 [2,0,0,0,0,0|0,1,0]=3 203 B9R1.2 NCC1=CC=CC(=O)N1 DY582837 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.2 NCC1=CC=CC(O)=C1 DY745447 [2,0,0,0,0,0|1,0,0]=3 205 B9R1.2 NCC1=NC(Br)=CC=C1 NO10635 [2,0,0,0,0,0|1,1,0]=4 206 B9R1.2 NCC1=NC(Cl)=CC=C1 DY527445 [2,0,0,0,0,0|1,0,0]=3 207 B9R1.2 NCC1=NC(Cl)=CN=C1 DY106438 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.2 NCC1=NC(F)=CC=C1 NO13193 [2,0,0,0,0,0|1,1,0]=4 209 B9R1.2 NCC1=NC=CC(Br)=C1 NO12824 [2,0,0,0,0,0|1,1,0]=4 210 B9R1.2 NCC1=NC=CC(Br)=C1 NO15559 [2,0,0,0,0,0|1,1,0]=4 211 B9R1.2 NNC1=CC(Br)=CC=C1 NO19465 [2,0,0,0,0,0|1,1,0]=4 212 B9R1.2 NNC1=CC(Cl)=CC=C1 NO19479 [2,0,0,0,0,0|1,0,0]=3 213 B9R1.2 NNC1=CC(F)=CC=C1 NO19485 [2,0,0,0,0,0|1,1,0]=4 214 B9R1.2 NNC1=CC=CC(Cl)=N1 NO21479 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.2 O=CC1=CC(Cl)=CC=C1 DY20579 [2,0,0,0,0,0|1,0,1]=4 216 B9R1.2 OCC1=CC(F)=CC=C1 NO19069 [2,0,0,0,0,0|1,1,0]=4 217 B9R1.2 OCC1=NC(Cl)=CC=C1 NO10667 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.2 OCC1=NC(Cl)=CC=C1 NO19907 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.2 OCC1=NC=CC(Cl)=C1 DY20517 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.8 BrCCC1=CC=CN=C1 DY608158 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.8 C#CCC1=CC=CC=C1 DY501873 [2,0,0,0,0,0|0,0,2]=4 222 B9R1.8 CCCC1=CC=CN=C1 NO22402 [2,0,0,0,0,0|1,0,0]=3 223 B9R1.8 CNCC1=CC=CC=C1 DY10559 [2,0,0,0,0,0|0,0,0]=2 224 B9R1.8 CNCC1=CC=CC=C1 DY20323 [2,0,0,0,0,0|0,0,0]=2 225 B9R1.8 CNCC1=CC=CC=C1 DY21006 [2,0,0,0,0,0|0,0,0]=2 226 B9R1.8 CNCC1=CC=CN=C1 NO18846 [2,0,0,0,0,0|1,0,0]=3 227 B9R1.8 CNCC1=CC=NC=C1 DY712153 [2,0,0,0,0,0|1,0,0]=3 228 B9R1.8 CNCC1=NC=CC=C1 DY501242 [2,0,0,0,0,0|1,0,0]=3 229 B9R1.8 CNCC1=NC=CC=C1 DY663671 [2,0,0,0,0,0|1,0,0]=3 230 B9R1.8 COCC1=NC=CC=C1 NO20909 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.8 ClCCC1=CC=NC=C1 NO17913 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.8 ClCSC1=CC=CC=C1 DY797799 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.8 NCCC1=CC=CN=C1 NO21892 [2,0,0,0,0,0|1,0,0]=3 234 B9R1.8 NCCC1=CN=CN=C1 DY693160 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.8 NCCC1=NC=CC=C1 NO14064 [2,0,0,0,0,0|1,0,0]=3 236 B9R1.8 NCCC1=NC=CC=N1 DY510693 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.8 NNCC1=CC=CC=C1 NO11006 [2,0,0,0,0,0|1,0,0]=3 238 B9R1.8 NNCC1=CC=CC=C1 NO12127 [2,0,0,0,0,0|1,0,0]=3 239 B9R1.8 NNCC1=CC=NC=C1 DY518961 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.8 NNCC1=NC=CC=C1 DY578445 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.8 NOCC1=CC=CC=C1 NO14063 [2,0,0,0,0,0|1,0,0]=3 242 B9R1.8 ONCC1=CC=CC=C1 DY563853 [2,0,0,0,0,0|1,0,0]=3 243 B9R1.8 ONCC1=CC=CC=C1 NO11753 [2,0,0,0,0,0|1,0,0]=3 244 B11R1.13 CCNC1=C(N)C(Cl)=NC=C1 DY121212 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.13 CNCC1=C(Cl)C(Cl)=CC=C1 NO20112 [1,1,0,0,0,0|0,0,0]=2 246 B11R1.13 CNCC1=C(F)C(Cl)=CC=C1 DY516897 [1,1,0,0,0,0|0,0,0]=2 247 B11R1.13 N#CCC1=C(Br)C(Cl)=CC=C1 DY584930 [1,1,0,0,0,0|0,0,2]=4 248 B11R1.13 N#CCC1=C(Cl)C(Cl)=CC=C1 NO18973 [1,1,0,0,0,0|0,0,2]=4 249 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 DY41278 [1,1,0,0,0,0|0,1,1]=4 250 B11R1.23 CCC(=O)C1=CC(C)=CC=C1 DY745657 [1,1,0,0,0,0|1,0,1]=4 251 B11R1.23 CCC(=O)C1=CC(F)=CC=C1 DY41284 [1,1,0,0,0,0|0,1,1]=4 252 B11R1.23 CCC(N)C1=NC(C)=CC=C1 DY606027 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.23 CC[C@@H](N)C1=CC(Cl)=CC=C1 DY508850 [1,1,0,0,0,0|0,0,0]=2 254 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 DY585435 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 NO18168 [1,1,0,0,0,0|1,0,1]=4 256 B11R1.23 CN[C@H](C)C1=CC(F)=CC=C1 DY744907 [1,1,0,0,0,0|0,1,0]=3 257 B11R1.23 COC(=O)C1=CC(Cl)=CC=C1 NO11622 [1,1,0,0,0,0|1,0,1]=4 258 B11R1.23 NC(CO)C1=CC(Br)=CC=C1 DY535233 [1,1,0,0,0,0|1,1,0]=4 259 B11R1.23 NC(CO)C1=CC(Cl)=CC=C1 DY518181 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.23 NCC(O)C1=CC=CC(O)=C1 DY556047 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.23 NC[C@@H](O)C1=CC(Cl)=CC=C1 DY530577 [1,1,0,0,0,0|0,0,0]=2 262 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 DY741673 [1,1,0,0,0,0|0,0,0]=2 263 B11R1.23 N[C@@H](CO)C1=CC(Cl)=CC=C1 DY513939 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.23 N[C@H](CO)C1=CC(Cl)=CC=C1 DY563793 [1,1,0,0,0,0|1,0,0]=3 265 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 NO19056 [1,1,0,0,0,0|1,0,1]=4 266 B11R1.23 O=C(CCl)C1=CC(Cl)=CC=C1 DY20163 [1,1,0,0,0,0|1,0,1]=4 267 B11R1.34 CCCC1=CC(Cl)=NC(C)=N1 DY455610 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.34 CCCC1=NC(C)=CC(Cl)=N1 DY603027 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.34 N#CCC1=CC(Cl)=CC(Cl)=C1 NO20845 [1,1,0,0,0,0|0,0,2]=4 270 B11R1.34 NCCC1=CC(Cl)=CC(Cl)=C1 NO16793 [1,1,0,0,0,0|0,0,0]=2 271 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 NO22187 [1,1,0,0,0,0|0,1,1]=4 272 B11R1.157 CC(C)CC1=CC=CC(N)=C1 DY822133 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.157 CC(N)CC1=CC(Br)=CC=C1 DY511737 [1,1,0,0,0,0|0,1,0]=3 274 B11R1.157 NC(=O)CC1=CC(Cl)=CC=C1 DY799707 [1,1,0,0,0,0|0,0,1]=3 275 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 NO21923 [1,1,0,0,0,0|1,0,1]=4 276 B11R1.182 CC1=CC(CCO)=C(C)C=C1 DY40742 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.182 CC1=CC(CNN)=C(C)C=C1 DY519153 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.182 CCOC1=C(Br)C=CC(C)=C1 DY451888 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 NO20424 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.182 CNCC1=C(F)C=CC(F)=C1 DY456646 [1,1,0,0,0,0|0,1,0]=3 281 B11R1.182 N#CCC1=C(Cl)C=CC(Cl)=C1 NO18974 [1,1,0,0,0,0|0,0,2]=4 282 B11R1.182 NCCC1=C(Br)C=CC(Cl)=C1 DY522951 [1,1,0,0,0,0|0,0,0]=2 283 B11R1.182 NCCC1=C(Cl)C=CC(Cl)=C1 DY795369 [1,1,0,0,0,0|0,0,0]=2 284 B11R1.189 CCOC1=CC=CC(C#N)=C1 DY584293 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.189 CCOC1=CC=CC(C=O)=C1 DY433437 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.189 COC1=CC=CC(CCN)=C1 NO13916 [1,1,0,0,0,0|1,0,0]=3 287 B11R1.189 COC1=CC=CC(CCO)=C1 NO22342 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.189 COCC1=CC=CC(C#N)=C1 NO18233 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.189 COCC1=CC=CC(CN)=C1 NO15687 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.189 N#CC1=CC(CNN)=CC=C1 DY686755 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.189 NCC1=CC=CC(CCO)=C1 NO17053 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.192 CCOC1=CC(Cl)=C(Br)C=C1 NO16022 [1,1,0,0,0,0|1,0,0]=3 293 B11R1.192 CNCC1=CC(Cl)=C(Cl)C=C1 NO11711 [1,1,0,0,0,0|0,0,0]=2 294 B11R1.192 CNCC1=CC=C(O)C(O)=C1 DY502761 [1,1,0,0,0,0|1,0,0]=3 295 B11R1.192 FC1=C(F)C=C(CCBr)C=C1 DY584641 [1,1,0,0,0,0|1,1,0]=4 296 B11R1.192 N#CCC1=CC(Cl)=C(Cl)C=C1 NO20633 [1,1,0,0,0,0|0,0,2]=4 297 B11R1.192 N#CCC1=CC(Cl)=C(F)C=C1 NO18657 [1,1,0,0,0,0|0,0,2]=4 298 B11R1.192 NCCC1=CC(Cl)=C(Cl)C=C1 NO21933 [1,1,0,0,0,0|0,0,0]=2 299 B11R1.192 NCCC1=CC(F)=C(F)C=C1 DY584648 [1,1,0,0,0,0|0,1,0]=3 300 B11R1.192 NCCC1=CC=C(O)C(O)=C1 NO15345 [1,1,0,0,0,0|1,0,0]=3 301 B11R1.192 OCCC1=CC(Cl)=C(Cl)C=C1 NO21932 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.192 OCCC1=CC(Cl)=C(F)C=C1 DY584825 [1,1,0,0,0,0|1,0,0]=3 303 B11R1.192 OCCC1=CC(F)=C(Cl)C=C1 DY584900 [1,1,0,0,0,0|1,1,0]=4 304 B11R1.1 CCCCC1=CC=C(C)C=C1 DY791931 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.1 CCCCC1=CN=C(C)C=C1 DY797679 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.1 CCOCC1=CC=C(N)C=C1 DY575247 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.1 CCOCC1=CC=C(O)C=C1 NO16541 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.1 CNCCC1=CC=C(Cl)C=C1 DY794949 [1,1,0,0,0,0|0,0,0]=2 309 B11R1.1 COCOC1=CC=C(C)C=C1 DY449074 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.1 COCOC1=CC=C(Cl)C=C1 DY449092 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.1 COCOC1=CC=C(F)C=C1 DY449098 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.1 NCCCC1=CC=C(F)C=C1 DY501891 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.1 OCCCC1=CC=C(Cl)C=C1 DY797043 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.1 OCCCC1=CC=C(O)C=C1 DY502467 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.16 CNCC(=O)C1=CC=CC=C1 DY794643 [1,1,0,0,0,0|0,0,1]=3 316 B11R1.16 CNCC(O)C1=CC=CC=C1 DY446674 [1,1,0,0,0,0|0,0,0]=2 317 B11R1.16 CNCC(O)C1=CC=CN=C1 DY585887 [1,1,0,0,0,0|1,0,0]=3 318 B11R1.16 COC[C@H](N)C1=CC=CN=C1 DY716756 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.16 ClCCC(Cl)C1=CC=CC=C1 DY522237 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 NO21217 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.16 OC(CCCl)C1=CC=CC=C1 NO22197 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 NO10897 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 DY20313 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.17 CCCOC1=C(O)C=CC=C1 DY20673 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.17 OCCCC1=C(O)C=CC=C1 DY791619 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.28 BrCCCCC1=CC=CC=C1 DY519843 [1,1,0,0,0,0|1,0,0]=3 327 B11R1.28 BrCCCOC1=CC=CC=C1 NO15031 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.28 BrCCOCC1=CC=CC=C1 NO10998 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.28 CCCCCC1=CC=CC=C1 DY745567 [1,1,0,0,0,0|1,0,0]=3 330 B11R1.28 CNCCOC1=CC=CC=C1 DY551817 [1,1,0,0,0,0|0,0,0]=2 331 B11R1.28 COCCSC1=NC=CC=C1 DY713737 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.28 N#CCCCC1=CC=CC=C1 DY461028 [1,1,0,0,0,0|1,0,1]=4 333 B11R1.28 NCCCCC1=NC=CC=C1 DY603285 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.28 NCCOCC1=CC=CC=C1 NO20892 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.28 NOCOCC1=CC=CC=C1 DY798807 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.28 OCCCCC1=CC=CC=C1 NO11170 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.28 OCCCCC1=CC=NC=C1 NO13477 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.28 OCCCCC1=NC=CC=C1 DY532905 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.28 OCCOCC1=CC=CC=C1 DY20071 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.40 CCC(N)CC1=CC=CC=C1 DY538887 [1,1,0,0,0,0|1,0,0]=3 341 B11R1.40 CNC(=O)OC1=CC=CC=C1 DY584385 [1,1,0,0,0,0|1,0,1]=4 342 B11R1.40 CNC(=S)NC1=CC=CC=C1 DY793797 [1,1,0,0,0,0|1,0,1]=4 343 B11R1.40 CNC(C)CC1=CC=NC=C1 DY716696 [1,1,0,0,0,0|1,0,0]=3 344 B11R1.40 N#CC(N)CC1=CC=CC=C1 DY581085 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.40 N#C[C@@H](N)CC1=CC=CC=C1 DY569337 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.40 NCC(O)CC1=CC=CC=C1 DY745903 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 DY425862 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 NO21216 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.40 [C-]#[N+][C@@H](C)CC1=CC=CC=C1 DY744979 [1,1,0,0,0,0|0,0,2]=4 350 B11R1.91 CC(=O)CCC1=CC=CN=C1 DY560043 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.91 CC(O)CCC1=CC=CC=C1 DY746761 [1,1,0,0,0,0|1,0,0]=3 352 B11R1.91 O=C(O)CCC1=CC=CC=C1 DY556977 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 NO20444 [1,1,0,0,0,0|1,0,1]=4 354 B11R1.91 OB(O)CCC1=CC=CC=C1 DY453988 [1,1,0,0,0,0|2,0,0]=4 355 B13R1.22 COC(=O)C(Br)C1=CC(Cl)=CC=C1 DY584598 [0,2,0,0,0,0|1,0,1]=4 356 B13R1.466 CNCC(O)c1ccc(O)c(O)c1 DY548871 [0,2,0,0,0,0|1,0,0]=3 357 B13R1.466 CNC[C@H](O)c1ccc(O)c(O)c1 DY559935 [0,2,0,0,0,0|1,0,0]=3 358 B13R1.6 CCCCNCC1=CC(Br)=CC=C1 DY614800 [0,2,0,0,0,0|1,1,0]=4 359 B13R1.15 CCC(C)NCC1=CC(Br)=CC=C1 DY609273 [0,2,0,0,0,0|1,1,0]=4 360 B13R1.15 CCC(C)NCC1=CC(Br)=CC=C1 DY614788 [0,2,0,0,0,0|1,1,0]=4 361 B13R1.55 CCCCCC1=CC(F)=CC(F)=C1 NO12655 [0,2,0,0,0,0|1,1,0]=4 362 B13R1.666 CCCNCC1=CC(OC)=CC=C1 DY610307 [0,2,0,0,0,0|2,0,0]=4 363 B13R1.2872 COC(=O)CC1=C(Br)C=CC(Cl)=C1 DY584720 [0,2,0,0,0,0|1,0,1]=4 364 B13R1.2879 COC(=O)CC1=CC(Cl)=C(O)C=C1 DY433941 [0,2,0,0,0,0|1,0,1]=4 365 B13R1.893 CC(=O)OCC1=C(Cl)C=CC(Cl)=C1 DY742321 [0,2,0,0,0,0|2,0,0]=4 366 B13R1.556 COC1=C(CCC=O)C=C(Cl)C=C1 DY549393 [0,2,0,0,0,0|2,0,0]=4 367 B11R1.605 CNCC1=C(Cl)C=CC=C1F DY456652 [0,0,1,1,0,0|1,0,1]=4 368 B11R2.36 BrC1=CC2=C(C=C1)OCC2 DY20389 [1,0,0,1,0,0|1,1,0]=4 369 B11R2.36 BrC1=CC=C2CCNC2=C1 NO17623 [1,0,0,1,0,0|1,1,0]=4 370 B11R2.36 BrC1=CC=C2CNCC2=C1 DY20658 [1,0,0,1,0,0|0,1,0]=3 371 B11R2.36 BrC1=CC=C2CNCC2=C1 NO14408 [1,0,0,1,0,0|0,1,0]=3 372 B11R2.36 BrC1=CC=C2NCCC2=C1 NO10836 [1,0,0,1,0,0|0,1,0]=3 373 B11R2.36 BrC1=CN=C2CCCC2=C1 NO22164 [1,0,0,1,0,0|1,1,0]=4 374 B11R2.36 BrC1=CN=C2NCCC2=C1 DY533421 [1,0,0,1,0,0|1,1,0]=4 375 B11R2.36 BrC1=CN=C2NCCC2=C1 NO18623 [1,0,0,1,0,0|1,1,0]=4 376 B11R2.36 CC1=CC=C2CNCC2=C1 DY431420 [1,0,0,1,0,0|1,0,0]=3 377 B11R2.36 ClC1=CC2=C(C=N1)CCN2 NO14935 [1,0,0,1,0,0|2,0,0]=4 378 B11R2.36 ClC1=CC=C2CCNC2=C1 NO19407 [1,0,0,1,0,0|1,0,0]=3 379 B11R2.36 ClC1=CC=C2CNCC2=C1 NO15340 [1,0,0,1,0,0|0,0,0]=2 380 B11R2.36 ClC1=CC=C2NC=CC2=C1 NO22049 [1,0,0,1,0,0|0,0,2]=4 381 B11R2.36 ClC1=CC=C2NCCC2=C1 DY20079 [1,0,0,1,0,0|0,0,0]=2 382 B11R2.36 ClC1=CC=C2NCCC2=C1 DY630382 [1,0,0,1,0,0|0,0,0]=2 383 B11R2.36 ClC1=CC=C2NN=CC2=C1 NO10312 [1,0,0,1,0,0|1,0,1]=4 384 B11R2.36 ClC1=NC2=C(C=N1)CNC2 DY517431 [1,0,0,1,0,0|2,0,0]=4 385 B11R2.36 FC1=CC=C2CCCC2=C1 NO16751 [1,0,0,1,0,0|0,1,0]=3 386 B11R2.36 FC1=CC=C2CCNC2=C1 DY443334 [1,0,0,1,0,0|1,1,0]=4 387 B11R2.36 FC1=CC=C2CNCC2=C1 DY459041 [1,0,0,1,0,0|0,1,0]=3 388 B11R2.36 FC1=CC=C2CNCC2=C1 NO15207 [1,0,0,1,0,0|0,1,0]=3 389 B11R2.36 IC1=CN=C2CCCC2=C1 DY675123 [1,0,0,1,0,0|1,1,0]=4 390 B11R2.36 NC1=CC2=C(C=C1)CCO2 DY561471 [1,0,0,1,0,0|2,0,0]=4 391 B11R2.36 NC1=CC=C2CNCC2=C1 DY20849 [1,0,0,1,0,0|1,0,0]=3 392 B11R2.36 NC1=CC=C2CNCC2=C1 DY555549 [1,0,0,1,0,0|1,0,0]=3 393 B11R2.36 NC1=CC=C2NCCC2=C1 DY630744 [1,0,0,1,0,0|1,0,0]=3 394 B11R2.36 NC1=CN=C2CCCC2=C1 DY100354 [1,0,0,1,0,0|2,0,0]=4 395 B11R2.36 OC1=CC2=C(C=C1)CCO2 NO16031 [1,0,0,1,0,0|2,0,0]=4 396 B11R2.36 OC1=CC=C2CCNC2=C1 DY630750 [1,0,0,1,0,0|2,0,0]=4 397 B11R2.36 OC1=CC=C2CNCC2=C1 DY446903 [1,0,0,1,0,0|1,0,0]=3 398 B11R2.106 BrC1=C2CCCC2=CC=C1 NO16754 [1,0,0,1,0,0|0,1,0]=3 399 B11R2.106 BrC1=C2CCNC2=CC=C1 NO18513 [1,0,0,1,0,0|1,1,0]=4 400 B11R2.106 BrC1=C2CNCC2=CC=C1 NO22684 [1,0,0,1,0,0|0,1,0]=3 401 B11R2.106 BrC1=C2CNCC2=NC=C1 DY585212 [1,0,0,1,0,0|1,1,0]=4 402 B11R2.106 BrC1=CC=CC2=C1OCC2 NO12983 [1,0,0,1,0,0|1,1,0]=4 403 B11R2.106 CC1=C2CNCC2=CC=C1 NO17946 [1,0,0,1,0,0|1,0,0]=3 404 B11R2.106 CC1=C2NCCC2=CC=C1 NO18412 [1,0,0,1,0,0|1,0,0]=3 405 B11R2.106 ClC1=C2CCCC2=NC=C1 NO12915 [1,0,0,1,0,0|1,0,0]=3 406 B11R2.106 ClC1=C2CCNC2=CC=C1 NO10845 [1,0,0,1,0,0|1,0,0]=3 407 B11R2.106 ClC1=C2CCNC2=CN=C1 DY585263 [1,0,0,1,0,0|2,0,0]=4 408 B11R2.106 ClC1=C2CNCC2=CC=C1 DY630146 [1,0,0,1,0,0|0,0,0]=2 409 B11R2.106 ClC1=C2CNCC2=CC=C1 NO15338 [1,0,0,1,0,0|0,0,0]=2 410 B11R2.106 ClC1=C2NC=CC2=CC=C1 NO14936 [1,0,0,1,0,0|0,0,2]=4 411 B11R2.106 ClC1=C2NCCC2=CC=N1 DY518367 [1,0,0,1,0,0|1,0,0]=3 412 B11R2.106 ClC1=NC=CC2=C1CNC2 DY676268 [1,0,0,1,0,0|1,0,0]=3 413 B11R2.106 FC1=C2CCNC2=CC=C1 DY433917 [1,0,0,1,0,0|1,1,0]=4 414 B11R2.106 FC1=C2CNCC2=CC=C1 DY430022 [1,0,0,1,0,0|0,1,0]=3 415 B11R2.106 FC1=C2CNCC2=CC=C1 DY580305 [1,0,0,1,0,0|0,1,0]=3 416 B11R2.106 IC1=C2CCNC2=CC=C1 DY630170 [1,0,0,1,0,0|1,1,0]=4 417 B11R2.106 NC1=CC=CC2=C1CCN2 NO11498 [1,0,0,1,0,0|2,0,0]=4 418 B11R2.106 OC1=CC=CC2=C1CCC2 NO22898 [1,0,0,1,0,0|1,0,0]=3 419 B11R2.106 [O-][N+]1=CC=CC2=C1CCC2 DY579003 [1,0,0,1,0,0|2,0,0]=4 420 B11R2.1 CC1=CCC2=CC=CC=C12 DY106180 [1,0,0,1,0,0|1,0,1]=4 421 B11R2.1 CN1C=CC2=CC=CC=C21 NO11026 [1,0,0,1,0,0|0,0,2]=4 422 B11R2.1 NC1CCC2=CC=CC=C21 NO19275 [1,0,0,1,0,0|2,0,0]=4 423 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 NO19803 [1,0,0,1,0,0|2,0,0]=4 424 B11R2.1 N[C@H]1CCC2=CC=CC=C21 NO16005 [1,0,0,1,0,0|2,0,0]=4 425 B11R2.1 N[C@H]1CCC2=CC=CC=C21 NO20307 [1,0,0,1,0,0|2,0,0]=4 426 B11R2.1 O=C1CCC2=CC=CC=C12 NO18668 [1,0,0,1,0,0|2,0,0]=4 427 B11R2.1 O[C@@H]1CCC2=CC=CC=C21 DY567765 [1,0,0,1,0,0|2,0,0]=4 428 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 DY559809 [1,0,0,1,0,0|2,0,0]=4 429 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 DY537225 [1,0,0,1,0,0|2,0,0]=4 430 B11R2.20 C1=CC2=C(CCCC2)N=C1 NO13407 [1,0,0,1,0,0|2,0,0]=4 431 B11R2.20 C1=CC2=C(CCNC2)N=C1 NO14841 [1,0,0,1,0,0|1,0,0]=3 432 B11R2.20 C1=CC=C2CNCCC2=C1 NO19412 [1,0,0,1,0,0|0,0,0]=2 433 B11R2.20 C1=CC=C2COCCC2=C1 NO19933 [1,0,0,1,0,0|1,0,0]=3 434 B11R2.20 C1=NC=C2CCNCC2=C1 NO15863 [1,0,0,1,0,0|1,0,0]=3 435 B11R2.20 C1=NC=C2CNCCC2=C1 DY113298 [1,0,0,1,0,0|1,0,0]=3 436 B11R2.20 C1=NC=C2CNCCC2=C1 NO17812 [1,0,0,1,0,0|1,0,0]=3 437 B11R2.20 C1=NC=NC2=C1CNCC2 NO11914 [1,0,0,1,0,0|2,0,0]=4 438 B11R2.20 C1=NC=NC2=C1CNCC2 NO15273 [1,0,0,1,0,0|2,0,0]=4 439 B11R2.238 C1=CC=C(C[C@H]2CN2)C=C1 NO19482 [1,0,0,1,0,0|0,0,0]=2 440 B11R2.238 C1=CC=C(SC2CC2)C=C1 DY20576 [1,0,0,1,0,0|2,0,0]=4 441 B11R2.239 C1=CC(C2CCC2)=CC=N1 DY576525 [1,0,0,1,0,0|2,0,0]=4 442 B11R2.239 C1=CC=C(C2CCO2)C=C1 DY732709 [1,0,0,1,0,0|2,0,0]=4 443 B11R2.239 C1=CN=C(C2CNC2)N=C1 DY513543 [1,0,0,1,0,0|2,0,0]=4 444 B11R2.239 C1=CN=C(C2CNC2)N=C1 DY719338 [1,0,0,1,0,0|2,0,0]=4 445 B11R2.239 C1=CN=C(C2COC2)C=C1 DY732907 [1,0,0,1,0,0|2,0,0]=4 446 B13R2.13 BrC1=CC=CC(C2CCCN2)=C1 DY605267 [0,1,0,1,0,0|1,1,0]=4 447 B13R2.13 BrC1=CC=CC(N2CCCC2)=C1 DY665446 [0,1,0,1,0,0|1,1,0]=4 448 B13R2.13 CC1=CC(C2CCCN2)=CC=C1 NO15757 [0,1,0,1,0,0|2,0,0]=4 449 B13R2.13 ClC1=NC(N2CCCC2)=CC=C1 DY655566 [0,1,0,1,0,0|2,0,0]=4 450 B13R2.13 ClC1=NC=CC(C2CCCN2)=C1 DY666497 [0,1,0,1,0,0|2,0,0]=4 451 B13R2.13 FC1=CC=CC(C2CCCN2)=C1 NO11095 [0,1,0,1,0,0|1,1,0]=4 452 B13R2.13 FC1=CC=CC(N2CCCC2)=C1 DY788697 [0,1,0,1,0,0|1,1,0]=4 453 B13R2.13 FC1=CC=CC([C@H]2CCCN2)=C1 DY621891 [0,1,0,1,0,0|1,1,0]=4 454 B13R2.13 NC1=CC(N2CCCC2)=CC=C1 DY508340 [0,1,0,1,0,0|2,0,0]=4 455 B13R2.13 NC1=CC([C@H]2CCCN2)=CC=C1 DY622239 [0,1,0,1,0,0|2,0,0]=4 456 B13R2.151 O=C1CC(C2=CC(Br)=CC=C2)C1 DY577359 [0,1,0,1,0,0|1,1,0]=4 457 B13R2.162 NC1CCC2=CC=CC(Br)=C2C1 DY765323 [0,1,0,1,0,0|1,1,0]=4 458 B13R2.162 NC1CCCC2=CC=C(Br)C=C21 NO18492 [0,1,0,1,0,0|1,1,0]=4 459 B13R2.162 NC1CCCC2=CC=C(Cl)C=C21 DY744499 [0,1,0,1,0,0|1,0,0]=3 460 B13R2.162 O=C1CCC2=CC=CC(Br)=C2C1 DY425726 [0,1,0,1,0,0|1,1,0]=4 461 B13R2.162 O=C1CCC2=CC=CC(O)=C2C1 DY20770 [0,1,0,1,0,0|2,0,0]=4 462 B13R2.162 OC1CCCC2=C1C=C(Cl)C=N2 DY674835 [0,1,0,1,0,0|2,0,0]=4 463 B13R2.342 CC1=C2CCCC(N)C2=CC=C1 DY765353 [0,1,0,1,0,0|2,0,0]=4 464 B13R2.342 NC1CCCC2=C(Cl)C=CC=C21 DY446915 [0,1,0,1,0,0|1,0,0]=3 465 B13R2.342 N[C@H]1CCOC2=C(Cl)C=CC=C21 DY669284 [0,1,0,1,0,0|2,0,0]=4 466 B13R2.342 OC1CCCC2=C(Br)C=CC=C21 DY580083 [0,1,0,1,0,0|1,1,0]=4 467 B13R2.3018 NC1(C2=CC(Cl)=CC=C2)COC1 DY115762 [0,1,0,1,0,0|1,0,0]=3 468 B13R2.3018 NC1(C2=CC(Cl)=CC=C2)COC1 DY518097 [0,1,0,1,0,0|1,0,0]=3 469 B13R2.3018 NC1(C2=CC(F)=CC=C2)COC1 DY115774 [0,1,0,1,0,0|1,1,0]=4 470 B13R2.3018 NC1(C2=CC(I)=CC=C2)COC1 DY102476 [0,1,0,1,0,0|1,1,0]=4 471 B13R2.3018 OC1(C2=CC(Cl)=NC=C2)COC1 DY515475 [0,1,0,1,0,0|2,0,0]=4 472 B13R2.32 FC1=C2CCNCC2=CC=C1Br DY585927 [0,1,0,1,0,0|0,1,0]=3 473 B13R2.32 NC1=C(O)C2=C(C=C1)CCCC2 DY765539 [0,1,0,1,0,0|2,0,0]=4 474 B13R2.4820 BrC1=CC=CC2=C1NCCCC2 DY681672 [0,1,0,1,0,0|1,1,0]=4 475 B13R2.5180 O=C1CCC2=C(Br)C(Cl)=CC=C12 DY121355 [0,1,0,1,0,0|2,0,0]=4 476 B13R2.662 CCN1C=CC2=CC(Cl)=CC=C21 DY727525 [0,1,0,1,0,0|0,0,2]=4 477 B13R2.662 CCN1CCC2=CC(O)=CC=C21 DY629345 [0,1,0,1,0,0|1,0,0]=3 478 B13R2.3021 FC1=CC=CC(OC2CNC2)=C1 DY607197 [0,1,0,1,0,0|0,1,0]=3 479 B13R2.3729 BrC1=CC2=C(C=C1)CCNCC2 DY680379 [0,1,0,1,0,0|0,1,0]=3 480 B13R2.3729 ClC1=NC2=C(C=C1)CCNCC2 DY508454 [0,1,0,1,0,0|1,0,0]=3 481 B13R2.3729 ClC1=NC2=C(C=C1)CNCCO2 DY681387 [0,1,0,1,0,0|1,0,0]=3 482 B13R2.3729 NC1=CC2=C(C=C1)CCCNC2 DY670547 [0,1,0,1,0,0|2,0,0]=4 483 B13R2.3729 NC1=CC2=C(C=C1)CNCCN2 DY670559 [0,1,0,1,0,0|1,0,0]=3 484 B13R2.4818 CN1CCCC2=CC=CC(O)=C21 DY104408 [0,1,0,1,0,0|1,0,0]=3 485 B13R2.4818 O=C1CCOC2=CC=CC(Cl)=C12 DY510795 [0,1,0,1,0,0|2,0,0]=4 486 B13R2.4818 OC1CCCC2=CC=CC(Br)=C21 DY768685 [0,1,0,1,0,0|1,1,0]=4 487 B13R2.5179 CN1CCNC2=CC(Br)=CC=C21 NO17058 [0,1,0,1,0,0|0,1,0]=3 488 B13R2.5179 CN1CCNC2=CC(F)=CC=C21 DY783346 [0,1,0,1,0,0|0,1,0]=3 489 B13R2.5179 CN1CCOC2=C1C=CC(Br)=C2 DY527001 [0,1,0,1,0,0|0,1,0]=3 490 B13R2.5179 NC1CCCC2=CC(Br)=CC=C21 DY533409 [0,1,0,1,0,0|1,1,0]=4 491 B13R2.5179 N[C@H]1CCCC2=CC(F)=CC=C21 DY625477 [0,1,0,1,0,0|1,1,0]=4 492 B13R2.5179 O=C1CCCC2=CC(Cl)=CC=C12 NO18199 [0,1,0,1,0,0|1,0,1]=4 493 B13R2.5179 O=C1CCNC2=CC(Cl)=CC=C12 DY540807 [0,1,0,1,0,0|2,0,0]=4 494 B13R2.5179 O=C1NCCC2=CC(Br)=CC=C12 NO18011 [0,1,0,1,0,0|0,1,1]=4 495 B13R2.5179 O=C1NCCC2=CC(Cl)=CC=C12 NO18170 [0,1,0,1,0,0|0,0,1]=3 496 B13R2.5179 O=C1NCCC2=CC(O)=CC=C12 NO17654 [0,1,0,1,0,0|1,0,1]=4 497 B13R2.5331 BrC1=CC(OCC2CC2)=CC=C1 DY758155 [0,1,0,1,0,0|1,1,0]=4 498 B13R2.43 CNC1=NC2=C(C=CC(Cl)=C2)O1 DY752779 [0,1,0,1,0,0|1,0,1]=4 499 B13R2.155 NC1CCC2=C(C=C(O)C=C2)C1 DY768979 [0,1,0,1,0,0|2,0,0]=4 500 B13R2.5190 CN1C(=O)CC2=CC(O)=CC=C21 DY562935 [0,1,0,1,0,0|1,0,1]=4 501 B13R2.140 ClC1=CC(Cl)=CC(C2CNC2)=C1 DY720154 [0,1,0,1,0,0|0,0,0]=2 502 B13R2.328 CC1=C2CNCCC2=CC(Br)=C1 DY586623 [0,1,0,1,0,0|0,1,0]=3 503 B13R2.328 FC1=C2OCCCC2=CC(Cl)=C1 DY771501 [0,1,0,1,0,0|2,0,0]=4 504 B13R2.11642 O=C1CCC2=CC(Cl)=CC(F)=C12 DY515907 [0,1,0,1,0,0|2,0,0]=4 505 B13R2.11642 O=C1CCC2=CC(Cl)=CC(O)=C12 DY446784 [0,1,0,1,0,0|2,0,0]=4 506 B13R2.3683 N[C@H]1CCC2=CC(F)=CC=C2C1 DY765155 [0,1,0,1,0,0|1,1,0]=4 507 B13R2.3683 O=C1CCC2=CC(Cl)=CC=C2O1 DY679485 [0,1,0,1,0,0|2,0,0]=4 508 B13R2.3683 O=C1CCC2=CC(F)=CC=C2C1 NO11331 [0,1,0,1,0,0|1,1,0]=4 509 B13R2.3683 O=C1CCC2=CC(O)=CC=C2C1 NO10710 [0,1,0,1,0,0|2,0,0]=4 510 B13R2.57 COC1=CC=C2CNCCC2=C1 NO18370 [0,1,0,1,0,0|1,0,0]=3 511 B13R2.57 N#CC1=CC2=C(CNCC2)N=C1 DY676953 [0,1,0,1,0,0|2,0,0]=4 512 B13R2.57 N#CC1=CC=C2CNCCC2=C1 NO20469 [0,1,0,1,0,0|1,0,0]=3 513 B13R2.582 CN1CCC2=CC=CC(C#N)=C21 DY709513 [0,1,0,1,0,0|1,0,0]=3 514 B13R2.1613 N#CC1=C2CNCCC2=CC=C1 DY540723 [0,1,0,1,0,0|1,0,0]=3 515 B13R2.1613 O=CC1=CC=CC2=C1CCCC2 NO16055 [0,1,0,1,0,0|2,0,0]=4 516 B13R2.1613 OCC1=CC=CC2=C1CCCC2 NO16039 [0,1,0,1,0,0|2,0,0]=4 517 B13R2.2487 N#CC1=CC(C2CNC2)=CC=C1 DY719566 [0,1,0,1,0,0|1,0,0]=3 518 B13R2.11634 O=C1CCC2=CC(Cl)=C(Cl)C=C12 NO14528 [0,1,0,1,0,0|2,0,0]=4 519 B9R1.7 CNCC1=CN=C(Cl)S1 NO17581 [1,0,0,0,1,0|2,0,0]=4 520 B9R1.7 NNCC1=CSC(Cl)=C1 DY104510 [1,0,0,0,1,0|2,0,0]=4 521 B9R1.12 CCCCC1=CSC=C1 DY550173 [1,0,0,0,1,0|2,0,0]=4 522 B9R1.12 CCCCC1C=CC=C1 DY114482 [1,0,0,0,1,0|1,0,1]=4 523 B9R1.12 CNCCC1=CNN=C1 DY611330 [1,0,0,0,1,0|2,0,0]=4