0 B11R2.10 BrP1OC2=C(O1)C=CC=C2 S626414 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.10 CC1=NC2=CC=CN=C2N1 CBR01690 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.10 CC1=N[N+]2=C(S1)N=CC=C2 S42855 [0,0,0,0,0,0|3,1,0]=4 3 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [0,0,0,0,0,0|0,0,2]=2 4 B11R2.10 CN1CC2=CC=CC=C2C1 PH012966 [0,0,0,0,0,0|2,0,1]=3 5 B11R2.10 ClC1=NC2=C(N1)C=CC=N2 CDS010108 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,0,0,0,0,0|2,0,0]=2 7 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [0,0,0,0,0,0|3,0,0]=3 8 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [0,0,0,0,0,0|2,0,0]=2 9 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [0,0,0,0,0,0|2,0,0]=2 10 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [0,0,0,0,0,0|2,0,0]=2 11 B11R2.10 SC1CC2=CC=CC=C2C1 CDS023745 [0,0,0,0,0,0|2,0,2]=4 12 B11R2.10 [S-]C1=NC2=C(S1)C=CC=C2 S813435 [0,0,0,0,0,0|2,1,0]=3 13 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [1,0,0,0,0,0|1,1,0]=3 14 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [1,0,0,0,0,0|1,1,1]=4 15 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [1,0,0,0,0,0|1,1,0]=3 16 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [1,0,0,0,0,0|2,0,0]=3 17 B10R2.7 C1=CC2=C(C=N1)C=NN2 BLN00013 [1,0,0,0,0,0|3,0,0]=4 18 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [1,0,0,0,0,0|2,0,0]=3 19 B10R2.7 C1=CC2=C(C=N1)NN=C2 BLN00001 [1,0,0,0,0,0|3,0,0]=4 20 B10R2.7 C1=CC2=C(S1)C=NC=N2 SYX00365 [1,0,0,0,0,0|2,1,0]=4 21 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [1,0,0,0,0,0|1,0,0]=2 22 B10R2.7 C1=CC2=NC=NN2C=C1 SYX00359 [1,0,0,0,0,0|3,0,0]=4 23 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [1,0,0,0,0,0|1,0,2]=4 24 B10R2.7 C1=CN2C=CN=C2N=C1 CDS017059 [1,0,0,0,0,0|3,0,0]=4 25 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [1,0,0,0,0,0|2,0,0]=3 26 B10R2.7 C1=CN=C2C=NNC2=C1 BLN00003 [1,0,0,0,0,0|3,0,0]=4 27 B10R2.7 C1=C[N+]2=C(N=C1)SC=C2 S42812 [1,0,0,0,0,0|2,1,0]=4 28 B10R2.7 C1=C[N+]2=C(N=C1)SC=C2 S42928 [1,0,0,0,0,0|2,1,0]=4 29 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [1,0,0,0,0,0|1,1,0]=3 30 B12R2.18 C=C1SC2=C(N1C)C=CC=C2 PH003997 [0,1,0,0,0,0|1,1,1]=4 31 B12R2.18 CC1=C(C2=CC=CN=C2N1)I PHB00180 [0,1,0,0,0,0|2,0,0]=3 32 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S439762 [0,1,0,0,0,0|1,1,0]=3 33 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S570850 [0,1,0,0,0,0|1,1,0]=3 34 B12R2.18 CC1CC2=C(N1C)C=CC=C2 S786780 [0,1,0,0,0,0|1,0,2]=4 35 B12R2.18 CN1C(=N)SC2=C1C=CC=C2 R306630 [0,1,0,0,0,0|2,1,0]=4 36 B12R2.18 CN1C(=NC2=C1C=CC=C2)N S11372 [0,1,0,0,0,0|3,0,0]=4 37 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [0,1,0,0,0,0|3,0,0]=4 38 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 TMT00405 [0,1,0,0,0,0|2,0,0]=3 39 B12R2.18 CN1CC2=C(C1=O)C=CC=C2 S701564 [0,1,0,0,0,0|2,0,0]=3 40 B12R2.18 CN1SC2=C(C1=S)C=CC=C2 S875511 [0,1,0,0,0,0|1,1,0]=3 41 B12R2.18 C[N+]1=C(SC2=C1C=CC=C2)Cl S764973 [0,1,0,0,0,0|2,1,0]=4 42 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [0,1,0,0,0,0|2,0,1]=4 43 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [0,1,0,0,0,0|2,0,1]=4 44 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [0,1,0,0,0,0|2,0,1]=4 45 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [0,1,0,0,0,0|2,0,1]=4 46 B12R2.32 CC[N+]1=CC2=CC=CC=C2O1 S617024 [0,1,0,0,0,0|1,0,0]=2 47 B12R2.32 CNC1CC2=CC=CC=C2C1 CBR01430 [0,1,0,0,0,0|1,0,2]=4 48 B12R2.32 CSC1=NC2=C(N1)C=CC=C2 R429929 [0,1,0,0,0,0|2,0,0]=3 49 B12R2.32 CSC1=NC2=C(O1)C=CC=C2 S872989 [0,1,0,0,0,0|1,0,0]=2 50 B12R2.32 C[Se]C1=NC2=C(N1)C=CC=C2 S202851 [0,1,0,0,0,0|2,0,0]=3 51 B12R2.32 ClCC1=CN2C=CC=CC2=N1 T328316 [0,1,0,0,0,0|2,0,0]=3 52 B12R2.32 ClCC1=NC2=C(N1)C=CC=C2 S934852 [0,1,0,0,0,0|2,0,0]=3 53 B12R2.32 ClCC1=NC2=CC=CC=C2O1 CDS016769 [0,1,0,0,0,0|1,0,0]=2 54 B12R2.32 N#CC1=CC2=C(O1)C=CC=C2 R700967 [0,1,0,0,0,0|0,0,1]=2 55 B12R2.32 N#CC1=NC2=CC=CC=C2O1 PH009850 [0,1,0,0,0,0|1,0,1]=3 56 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 CDS001804 [0,1,0,0,0,0|1,0,0]=2 57 B12R2.32 NCC1=CC2=C(S1)C=CC=C2 CDS017817 [0,1,0,0,0,0|0,1,0]=2 58 B12R2.32 NCC1=CN2C=CC=CC2=N1 CBR00989 [0,1,0,0,0,0|2,0,0]=3 59 B12R2.32 NCC1=NC2=CC=CC=C2S1 CBR00935 [0,1,0,0,0,0|1,1,0]=3 60 B12R2.32 NCC1=NC2=NC=CC=C2N1 CDS019145 [0,1,0,0,0,0|3,0,0]=4 61 B12R2.32 NSC1=NC2=C(S1)C=CC=C2 S492205 [0,1,0,0,0,0|2,1,0]=4 62 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 PH006841 [0,1,0,0,0,0|2,0,1]=4 63 B12R2.32 OCC1=CC2=NC=CC=C2O1 ADE001139 [0,1,0,0,0,0|1,0,0]=2 64 B12R2.32 OCC1=CN2C=CC=CC2=N1 CDS017742 [0,1,0,0,0,0|2,0,0]=3 65 B12R2.32 OCC1=CN2C=CC=CC2=N1 SYX00380 [0,1,0,0,0,0|2,0,0]=3 66 B12R2.32 OCC1=NC2=C(S1)C=CC=C2 CDS006337 [0,1,0,0,0,0|1,1,0]=3 67 B12R2.32 SCC1=NC2=CC=CC=C2N1 CBR00787 [0,1,0,0,0,0|2,0,0]=3 68 B12R2.32 [C-]#CC1=NC2=C(S1)C=CC=C2 S887560 [0,1,0,0,0,0|1,1,1]=4 69 B12R2.95 CC1(NC2=C(S1)C=CC=C2)C S435333 [0,1,0,0,0,0|1,1,1]=4 70 B12R2.202 CC1=CC2=C(O1)CCCC2=O CBR01359 [0,1,0,0,0,0|0,0,3]=4 71 B12R2.202 CC1=CC2=CC=CC(=C2O1)N CBR00813 [0,1,0,0,0,0|0,0,0]=1 72 B12R2.202 CC1=CN2C(=CC=CC2=N1)N CBR02342 [0,1,0,0,0,0|2,0,0]=3 73 B12R2.202 CC1=NC2=C(O1)N=CNC2=O CBR00396 [0,1,0,0,0,0|3,0,0]=4 74 B12R2.202 CC1=NC2=CC=CC(=C2O1)Br CDS021215 [0,1,0,0,0,0|1,0,0]=2 75 B12R2.202 CN1C=C2C(=CC=CC2=N1)Br SYX00128 [0,1,0,0,0,0|2,0,0]=3 76 B12R2.202 CN1C=C2C=CC=C(C2=N1)Br SYX00129 [0,1,0,0,0,0|2,0,0]=3 77 B12R2.202 CN1N=C2C=CC=C(C2=N1)N CBR01757 [0,1,0,0,0,0|3,0,0]=4 78 B12R2.202 ClC1=CC=CC2=C1N=C(S2)Cl R439088 [0,1,0,0,0,0|2,1,0]=4 79 B12R2.202 ClC1=CC=NC2=C1C=C(N2)I CVT00093 [0,1,0,0,0,0|3,0,0]=4 80 B12R2.202 FC1=C2N=C(SC2=CC=C1)S ANV00208 [0,1,0,0,0,0|2,1,0]=4 81 B12R2.202 FC1=CC=CC2=C1SC(=N2)S ANV00148 [0,1,0,0,0,0|2,1,0]=4 82 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 OTV000480 [0,1,0,0,0,0|2,0,0]=3 83 B12R2.202 NC1=NC2=C(C=CC=C2S1)O CDS003821 [0,1,0,0,0,0|2,1,0]=4 84 B12R2.202 NC1=NC2=C(S1)C=CC=C2Br CDS022134 [0,1,0,0,0,0|2,1,0]=4 85 B12R2.202 NC1=NC2=C(S1)C=CC=C2Cl S429481 [0,1,0,0,0,0|2,1,0]=4 86 B12R2.202 NC1=NC2=C(S1)C=CC=C2F CDS006997 [0,1,0,0,0,0|2,1,0]=4 87 B12R2.202 NC1=NC2=C(S1)C=CC=C2I CDS023501 [0,1,0,0,0,0|2,1,0]=4 88 B12R2.202 O=C1C=C2C(=CC=CC2=N1)F CDS021261 [0,1,0,0,0,0|2,0,0]=3 89 B12R2.202 O=C1CC2=C(N1)C(=CC=C2)I PH016779 [0,1,0,0,0,0|2,0,1]=4 90 B12R2.202 O=C1NC2=C(S1)C=CC=C2Cl R587559 [0,1,0,0,0,0|2,1,0]=4 91 B12R2.202 OC1=NC2=C(S1)C=CC=C2Cl R587354 [0,1,0,0,0,0|2,1,0]=4 92 B12R2.202 SC1=NC2=C(S1)C(=CC=C2)Cl ANV00145 [0,1,0,0,0,0|2,1,0]=4 93 B12R2.606 BrC1=CC=C2N=C(SC2=C1)Br JRD0228 [0,1,0,0,0,0|2,1,0]=4 94 B12R2.606 BrC1=CN=C2C=C(OC2=C1)I ADE001171 [0,1,0,0,0,0|2,0,0]=3 95 B12R2.606 BrC1=CN=C2NC(=CC2=C1)I ADE001093 [0,1,0,0,0,0|3,0,0]=4 96 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)C PH000069 [0,1,0,0,0,0|1,1,0]=3 97 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)N R587281 [0,1,0,0,0,0|2,1,0]=4 98 B12R2.606 CC1=CC2=C(C=C1)OC(=S)N2 L470805 [0,1,0,0,0,0|2,0,0]=3 99 B12R2.606 CC1=CC2=C(C=C1)[Se]C(=N2)S L204072 [0,1,0,0,0,0|2,1,0]=4 100 B12R2.606 CC1=CC2=C(O1)C=CC(=C2)N CDS021488 [0,1,0,0,0,0|0,0,0]=1 101 B12R2.606 CC1=CC2=CC(=CN=C2N1)Br ADE001092 [0,1,0,0,0,0|2,0,0]=3 102 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [0,1,0,0,0,0|1,0,0]=2 103 B12R2.606 CC1=CC2=CC=C(N=C2N1)Cl CVT00123 [0,1,0,0,0,0|2,0,0]=3 104 B12R2.606 CC1=CC=C2NC(=NC2=C1)N CDS005473 [0,1,0,0,0,0|3,0,0]=4 105 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)N CDS017157 [0,1,0,0,0,0|1,0,0]=2 106 B12R2.606 CC1=NC2=CC(=CC=C2N1)O CBR02477 [0,1,0,0,0,0|2,0,0]=3 107 B12R2.606 CC1=NC2=CC(=CC=C2O1)O CDS003560 [0,1,0,0,0,0|1,0,0]=2 108 B12R2.606 CC1=NC2=CC=C(C=C2N1)N CDS022382 [0,1,0,0,0,0|2,0,0]=3 109 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [0,1,0,0,0,0|1,0,0]=2 110 B12R2.606 CC1=NC2=CC=C(C=C2S1)I CDS021504 [0,1,0,0,0,0|1,1,0]=3 111 B12R2.606 CC1=NC2=CC=C(C=C2S1)N CBR00322 [0,1,0,0,0,0|1,1,0]=3 112 B12R2.606 CC1CC2=CC(=CC=C2O1)N CBR00712 [0,1,0,0,0,0|0,0,2]=3 113 B12R2.606 CN1C=C2C=CC(=CC2=N1)Br BML00257 [0,1,0,0,0,0|2,0,0]=3 114 B12R2.606 CN1CC2=CC=C(C=C2C1)N CDS012772 [0,1,0,0,0,0|2,0,1]=4 115 B12R2.606 ClC1=CC=C2N=C(OC2=C1)Cl CDS013574 [0,1,0,0,0,0|2,0,0]=3 116 B12R2.606 FC1=CC2=C(C=C1)NC(=S)N2 L202959 [0,1,0,0,0,0|3,0,0]=4 117 B12R2.606 N1C(=NC2=C1C=CC(=C2)Br)Cl KOB0075 [0,1,0,0,0,0|3,0,0]=4 118 B12R2.606 N1C(=NC2=C1C=CC(=C2)Cl)C S438812 [0,1,0,0,0,0|2,0,0]=3 119 B12R2.606 N1C2=CC=C(C=C2N=C1C)Br ANV00243 [0,1,0,0,0,0|2,0,0]=3 120 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CDS003171 [0,1,0,0,0,0|3,0,0]=4 121 B12R2.606 NC1=CC2=C(C=C1)NC(=S)S2 S275085 [0,1,0,0,0,0|2,1,0]=4 122 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)Br CDS022313 [0,1,0,0,0,0|3,0,0]=4 123 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)Cl PH016109 [0,1,0,0,0,0|3,0,0]=4 124 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)Br S139688 [0,1,0,0,0,0|2,1,0]=4 125 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)Cl S940143 [0,1,0,0,0,0|2,1,0]=4 126 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)O CDS007524 [0,1,0,0,0,0|2,1,0]=4 127 B12R2.606 NC1=NC2=CC(=CC=C2S1)F VBP00032 [0,1,0,0,0,0|2,1,0]=4 128 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [0,1,0,0,0,0|2,0,1]=4 129 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [0,1,0,0,0,0|2,0,0]=3 130 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [0,1,0,0,0,0|2,0,0]=3 131 B12R2.606 O=C1NC2=C(S1)C=C(C=C2)Br R587540 [0,1,0,0,0,0|2,1,0]=4 132 B12R2.606 O=C1NC2=CC=C(C=C2N1)Br CDS007377 [0,1,0,0,0,0|3,0,0]=4 133 B12R2.606 O=C1NC2=NC=C(C=C2O1)Br CDS005180 [0,1,0,0,0,0|3,0,0]=4 134 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O R584991 [0,1,0,0,0,0|2,0,0]=3 135 B12R2.606 OC1=NC2=C(N1)C=C(C=C2)Cl S802360 [0,1,0,0,0,0|3,0,0]=4 136 B12R2.606 OC1=NC2=C(N1)C=CC(=C2)Cl S802042 [0,1,0,0,0,0|3,0,0]=4 137 B12R2.606 S=C1NC2=C(S1)C=C(C=C2)Cl R786403 [0,1,0,0,0,0|2,1,0]=4 138 B12R2.606 SC1=NC2=CC(=CC=C2N1)Cl TMT00049 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [0,0,1,0,0,0|2,0,1]=4 140 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [0,0,1,0,0,0|3,0,0]=4 141 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [0,0,1,0,0,0|2,0,0]=3 142 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [0,0,1,0,0,0|1,1,1]=4 143 B10R1.4 CCNC1=CC=CC=C1C S571016 [0,0,1,0,0,0|1,0,2]=4 144 B10R1.4 CCOC1=CC=CC=C1F S362085 [0,0,1,0,0,0|1,0,1]=3 145 B10R1.4 CCOC1=NC=CC=C1I ADE000294 [0,0,1,0,0,0|2,0,1]=4 146 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [0,0,1,0,0,0|1,0,1]=3 147 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [0,0,1,0,0,0|1,0,1]=3 148 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [0,0,1,0,0,0|2,0,1]=4 149 B10R1.4 CSCC1=CC=CC=C1Br S663395 [0,0,1,0,0,0|2,0,1]=4 150 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [0,0,1,0,0,0|3,0,0]=4 151 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [0,0,1,0,0,0|2,0,1]=4 152 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [0,0,1,0,0,0|3,0,0]=4 153 B10R1.16 C(=O)CCC1=CC=C(O1)C L159719 [0,0,1,0,0,0|1,0,2]=4 154 B10R1.16 C=CCCC1=CC=C(O1)C L159794 [0,0,1,0,0,0|0,0,2]=3 155 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,0,1,0,0,0|1,0,0]=2 156 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,0,1,0,0,0|1,0,2]=4 157 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,0,1,0,0,0|1,0,2]=4 158 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [0,0,1,0,0,0|1,0,2]=4 159 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [0,0,1,0,0,0|1,0,2]=4 160 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [0,0,1,0,0,0|2,0,1]=4 161 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [0,0,1,0,0,0|2,0,1]=4 162 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [0,0,1,0,0,0|2,0,1]=4 163 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [0,0,1,0,0,0|2,0,1]=4 164 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [0,0,1,0,0,0|1,0,1]=3 165 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [0,0,1,0,0,0|2,0,1]=4 166 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [0,0,0,0,1,0|1,0,1]=3 167 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 PH011260 [0,0,0,0,0,1|3,0,0]=4 168 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CDS017224 [0,0,0,0,0,1|2,0,0]=3 169 B12R2.24 CC1=NC2=C(C=C1)C=NC=C2 PH008439 [0,0,0,0,0,1|2,0,0]=3 170 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [0,0,0,0,0,1|1,0,1]=3 171 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ADE000831 [0,0,0,0,0,1|2,0,0]=3 172 B12R2.24 CC1CNC2=CC=CC=C2O1 VBP00114 [0,0,0,0,0,1|0,0,2]=3 173 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 S619213 [0,0,0,0,0,1|2,0,0]=3 174 B12R2.24 ClC1=CC2=C(C=CC=C2)C=N1 PH006843 [0,0,0,0,0,1|2,0,0]=3 175 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [0,0,0,0,0,1|3,0,0]=4 176 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [0,0,0,0,0,1|3,0,0]=4 177 B12R2.24 ClC1=NC2=C(C=CC=C2)C=N1 UPL0037 [0,0,0,0,0,1|2,0,0]=3 178 B12R2.24 IC1=CN=C2C=CC=NC2=C1 ADE000848 [0,0,0,0,0,1|3,0,0]=4 179 B12R2.24 N=C1CSC2=C(N1)C=CC=C2 PH008148 [0,0,0,0,0,1|2,0,1]=4 180 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [0,0,0,0,0,1|2,0,0]=3 181 B12R2.24 NC1=CC2=CC=CC=C2C=N1 ANV00025 [0,0,0,0,0,1|2,0,0]=3 182 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [0,0,0,0,0,1|3,0,0]=4 183 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [0,0,0,0,0,1|3,0,0]=4 184 B12R2.24 NC1=CC=C2C=NC=CC2=N1 CDS006673 [0,0,0,0,0,1|3,0,0]=4 185 B12R2.24 NC1=CN=C2C=CC=NC2=C1 ADE000870 [0,0,0,0,0,1|3,0,0]=4 186 B12R2.24 NC1=NC=C2C=CC=CC2=N1 CDS008332 [0,0,0,0,0,1|2,0,0]=3 187 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [0,0,0,0,0,1|2,0,1]=4 188 B12R2.24 NC1COC2=CC=CC=C2C1 CBR01531 [0,0,0,0,0,1|1,0,2]=4 189 B12R2.24 NC1COC2=CC=CC=C2C1 CDS007242 [0,0,0,0,0,1|1,0,2]=4 190 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,0,0,0,0,1|2,0,1]=4 191 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,0,0,0,0,1|1,0,1]=3 192 B12R2.24 O=C1COC2=CC=NC=C2N1 ADE001248 [0,0,0,0,0,1|3,0,0]=4 193 B12R2.24 O=C1COC2=NC=CC=C2N1 ADE001249 [0,0,0,0,0,1|3,0,0]=4 194 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [0,0,0,0,0,1|2,0,0]=3 195 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [0,0,0,0,0,1|3,0,0]=4 196 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [0,0,0,0,0,1|3,0,0]=4 197 B12R2.24 OC1CCC2=CC=CC=C2O1 PH008577 [0,0,0,0,0,1|1,0,2]=4 198 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,0,0,0,0,1|2,0,1]=4 199 B12R2.24 S=C1COC2=CC=CC=C2N1 PH000195 [0,0,0,0,0,1|2,0,0]=3 200 B12R2.24 S=C1NCC2=CC=CC=C2N1 PH005120 [0,0,0,0,0,1|2,0,1]=4 201 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,0,1,0,0,0|1,0,0]=3 202 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [1,0,1,0,0,0|1,0,0]=3 203 B9R1.8 CCOC1=CC=CC=N1 S442267 [1,0,1,0,0,0|1,0,1]=4 204 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,0,1,0,0,0|2,0,0]=4 205 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,0,1,0,0,0|1,0,1]=4 206 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [1,0,1,0,0,0|2,0,0]=4 207 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [1,0,1,0,0,0|2,0,0]=4 208 B9R1.15 COC1=CC=CC=C1N CDS000192 [1,0,1,0,0,0|1,0,0]=3 209 B9R1.15 COC1=CC=NC=C1Br CDS007984 [1,0,1,0,0,0|2,0,0]=4 210 B9R1.15 COC1=NC=CC=C1N CDS002836 [1,0,1,0,0,0|2,0,0]=4 211 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [1,0,1,0,0,0|1,0,1]=4 212 B9R1.12 C(=O)/C=C/C1=CC=CN1 L166448 [1,0,1,0,0,0|2,0,0]=4 213 B11R1.13 CCCC1=C(C(=CC=C1)C)O S405507 [0,1,1,0,0,0|0,0,2]=4 214 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [0,1,1,0,0,0|0,0,0]=2 215 B11R1.17 C=CCOC1=CC=CC=C1C S432911 [0,1,1,0,0,0|0,0,2]=4 216 B11R1.17 C=CCOC1=CC=CC=C1Cl S544744 [0,1,1,0,0,0|1,0,1]=4 217 B11R1.17 CC1=C(C=CC=C1)OCCN R414298 [0,1,1,0,0,0|0,0,2]=4 218 B11R1.17 CC1=CC=CC=C1OCCN OTV000147 [0,1,1,0,0,0|0,0,2]=4 219 B11R1.17 CCCOC1=CC=CC=C1N CDS014846 [0,1,1,0,0,0|1,0,1]=4 220 B11R1.17 COCOC1=CC=CC=C1Br CBR01868 [0,1,1,0,0,0|1,0,1]=4 221 B11R1.17 N#C/C=C/C1=CC=CC=C1I S849502 [0,1,1,0,0,0|1,0,1]=4 222 B11R1.17 N#CC=CC1=CC=CC=C1Cl S428108 [0,1,1,0,0,0|1,0,1]=4 223 B11R1.17 NCCOC1=C(C=CC=C1)Cl R414425 [0,1,1,0,0,0|1,0,1]=4 224 B11R1.17 NCCOC1=CC=CC=C1F CBR00831 [0,1,1,0,0,0|1,0,1]=4 225 B11R1.41 C(=N/O)\C1=CC=CC=C1OC S922153 [0,1,1,0,0,0|2,0,0]=4 226 B11R1.41 COC1=CC=CC=C1CSC S697931 [0,1,1,0,0,0|1,0,1]=4 227 B11R1.81 CCOC1=C(C=C(C=C1)N)Cl CBR01472 [0,1,1,0,0,0|1,0,1]=4 228 B11R1.81 CCOC1=CC=C(C=C1N)N S454931 [0,1,1,0,0,0|1,0,1]=4 229 B11R1.81 O/N=C/C1=C(C=C(C=C1)O)O PH010880 [0,1,1,0,0,0|2,0,0]=4 230 B11R1.86 C/[N+](=C/C1=C(C=CC=C1)O)/[O-] L170356 [0,1,1,0,0,0|1,0,0]=3 231 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,1,1,0,0,0|1,0,1]=4 232 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,1,1,0,0,0|1,0,1]=4 233 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [0,1,1,0,0,0|2,0,0]=4 234 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [0,1,1,0,0,0|2,0,0]=4 235 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [0,1,1,0,0,0|2,0,0]=4 236 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [0,1,1,0,0,0|2,0,0]=4 237 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,1,1,0,0,0|1,0,0]=3 238 B11R1.86 CC(=O)ON1C=CC=CC1=O T301086 [0,1,1,0,0,0|2,0,0]=4 239 B11R1.86 CC(C)OC1=CC=CC=C1N CDS002647 [0,1,1,0,0,0|1,0,1]=4 240 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [0,1,1,0,0,0|1,0,1]=4 241 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,1,1,0,0,0|1,0,1]=4 242 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [0,1,1,0,0,0|2,0,0]=4 243 B11R1.182 C=CCC1=CC(=CC=C1O)C S35298 [0,1,1,0,0,0|0,0,2]=4 244 B11R1.182 CNCC1=CC(=CC=C1O)F CDS021392 [0,1,1,0,0,0|1,0,1]=4 245 B11R1.182 O/N=C/C1=CC(=CC=C1O)Br PH002075 [0,1,1,0,0,0|2,0,0]=4 246 B11R1.182 ON=CC1=CC(=CC=C1O)Cl PH003985 [0,1,1,0,0,0|2,0,0]=4 247 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [0,1,1,0,0,0|2,0,0]=4 248 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [0,1,1,0,0,0|2,0,0]=4 249 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [0,1,1,0,0,0|1,1,0]=4 250 B11R1.222 CNC(=S)C1=C(C=CC=C1)N PH001535 [0,1,1,0,0,0|2,0,0]=4 251 B11R1.222 COC(=O)C1=C(C=NC=C1)O KOB0086 [0,1,1,0,0,0|2,0,0]=4 252 B11R1.222 COC(=O)C1=NC=CC=C1O CDS005462 [0,1,1,0,0,0|2,0,0]=4 253 B11R1.222 N/C(=N/O)/C1=C(C=CC=C1)O BOG00050 [0,1,1,0,0,0|2,0,0]=4 254 B11R1.605 CCOC1=C(C=CC=C1N)N S767417 [0,1,1,0,0,0|1,0,1]=4 255 B11R1.75 CC1=CC=C(O1)/C=C/C(=O)O S136638 [0,1,1,0,0,0|1,0,0]=3 256 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [0,1,1,0,0,0|1,0,0]=3 257 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [0,1,1,0,0,0|1,0,0]=3 258 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,1,1,0,0,0|0,0,2]=4 259 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,1,1,0,0,0|0,0,2]=4 260 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,1,1,0,0,0|1,0,1]=4 261 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,1,1,0,0,0|1,0,1]=4 262 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,1,1,0,0,0|1,0,1]=4 263 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,1,1,0,0,0|1,0,1]=4 264 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [0,1,1,0,0,0|0,0,2]=4 265 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [0,1,1,0,0,0|0,0,2]=4 266 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [0,1,1,0,0,0|0,0,2]=4 267 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [0,1,1,0,0,0|1,0,1]=4 268 B11R1.20 S=C(Cl)OC1=CC=C(C=C1)Cl T341398 [0,1,1,0,0,0|2,0,0]=4 269 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [0,1,1,0,0,0|1,0,0]=3 270 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,1,1,0,0,0|0,0,2]=4 271 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,1,1,0,0,0|1,0,1]=4 272 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [0,1,1,0,0,0|0,0,2]=4 273 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [0,1,1,0,0,0|0,0,2]=4 274 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [0,1,1,0,0,0|0,0,2]=4 275 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [0,1,1,0,0,0|0,0,2]=4 276 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [0,1,1,0,0,0|0,0,2]=4 277 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [0,1,1,0,0,0|0,0,2]=4 278 B11R1.36 CN(N)C(=N)C1=CC=CC=C1 S32361 [0,1,1,0,0,0|2,0,0]=4 279 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,1,1,0,0,0|1,0,1]=4 280 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,1,1,0,0,0|1,0,1]=4 281 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [0,1,1,0,0,0|0,0,2]=4 282 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [0,1,1,0,0,0|0,1,1]=4 283 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,1,1,0,0,0|1,0,0]=3 284 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,1,1,0,0,0|1,1,0]=4 285 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,1,1,0,0,0|0,0,0]=2 286 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [0,1,1,0,0,0|1,0,1]=4 287 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,1,1,0,0,0|1,0,1]=4 288 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,1,1,0,0,0|1,0,1]=4 289 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [0,1,1,0,0,0|2,0,0]=4 290 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [0,1,1,0,0,0|1,1,0]=4 291 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [0,1,1,0,0,0|1,0,1]=4 292 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [0,1,1,0,0,0|1,0,1]=4 293 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,1,1,0,0,0|1,0,1]=4 294 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,1,1,0,0,0|2,0,0]=4 295 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,1,1,0,0,0|1,0,1]=4 296 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,1,1,0,0,0|1,0,1]=4 297 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,1,1,0,0,0|2,0,0]=4 298 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [0,1,1,0,0,0|0,0,2]=4 299 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,1,1,0,0,0|0,0,2]=4 300 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [0,1,1,0,0,0|1,0,1]=4 301 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [0,1,1,0,0,0|1,0,1]=4 302 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [0,1,1,0,0,0|1,0,1]=4 303 B11R1.107 CC1=CC(=O)C=CCC=CC1 T211575 [0,1,1,0,0,0|1,0,1]=4 304 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [1,1,0,0,0,0|0,0,0]=2 305 B11R2.1 CC1=CN=C2N1C=CC=C2 SYX00420 [1,1,0,0,0,0|2,0,0]=4 306 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [1,1,0,0,0,0|2,0,0]=4 307 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [1,1,0,0,0,0|1,0,0]=3 308 B11R2.1 C[N+]1=CSC2=CC=CC=C12 R785695 [1,1,0,0,0,0|1,1,0]=4 309 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [1,1,0,0,0,0|1,0,0]=3 310 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [1,1,0,0,0,0|1,1,0]=4 311 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [1,1,0,0,0,0|1,1,0]=4 312 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [1,1,0,0,0,0|2,0,0]=4 313 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [1,1,0,0,0,0|1,0,0]=3 314 B11R2.1 NC1=NOC2=C1C=CC=N2 CBR00108 [1,1,0,0,0,0|2,0,0]=4 315 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [1,1,0,0,0,0|0,0,2]=4 316 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [1,1,0,0,0,0|2,0,0]=4 317 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [1,1,0,0,0,0|2,0,0]=4 318 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [1,1,0,0,0,0|1,0,0]=3 319 B11R2.1 [O-][N+]1=CNC2=C1C=CC=C2 R429619 [1,1,0,0,0,0|2,0,0]=4 320 B11R2.36 BrC1=CC2=C(C=C1)SC=N2 CDS006877 [1,1,0,0,0,0|1,1,0]=4 321 B11R2.36 BrC1=CC2=NC=CN2C=C1 SYX00066 [1,1,0,0,0,0|2,0,0]=4 322 B11R2.36 BrC1=CC=C2NC=CC2=N1 CDS022967 [1,1,0,0,0,0|2,0,0]=4 323 B11R2.36 BrC1=CC=C2NC=CC2=N1 PHB00045 [1,1,0,0,0,0|2,0,0]=4 324 B11R2.36 BrC1=CC=C2OC=NC2=C1 BML00292 [1,1,0,0,0,0|1,0,0]=3 325 B11R2.36 BrC1=CC=C2OC=NC2=C1 CDS016654 [1,1,0,0,0,0|1,0,0]=3 326 B11R2.36 BrC1=CC=C2SC=CC2=C1 CDS014001 [1,1,0,0,0,0|0,1,0]=3 327 B11R2.36 BrC1=CN=C2C=CNC2=C1 ADE000947 [1,1,0,0,0,0|2,0,0]=4 328 B11R2.36 BrC1=CN=C2C=COC2=C1 ADE001159 [1,1,0,0,0,0|1,0,0]=3 329 B11R2.36 BrC1=CN=C2OC=CC2=C1 ADE001191 [1,1,0,0,0,0|1,0,0]=3 330 B11R2.36 BrC1=NC2=C(C=CN2)C=C1 CDS022311 [1,1,0,0,0,0|2,0,0]=4 331 B11R2.36 BrC1=NC=C2NC=CC2=C1 PHB00280 [1,1,0,0,0,0|2,0,0]=4 332 B11R2.36 CC1=CC2=C(N=C1)NC=C2 ADE000939 [1,1,0,0,0,0|2,0,0]=4 333 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [1,1,0,0,0,0|2,0,0]=4 334 B11R2.36 CC1=CC=C2NN=CC2=C1 CBR00090 [1,1,0,0,0,0|2,0,0]=4 335 B11R2.36 ClC1=CC2=C(C=N1)NC=C2 CDS023185 [1,1,0,0,0,0|2,0,0]=4 336 B11R2.36 ClC1=CC=C2C=NNC2=C1 CDS006195 [1,1,0,0,0,0|2,0,0]=4 337 B11R2.36 ClC1=CC=C2NC=CC2=N1 ADE000995 [1,1,0,0,0,0|2,0,0]=4 338 B11R2.36 ClC1=CC=C2NN=CC2=C1 CDS006550 [1,1,0,0,0,0|2,0,0]=4 339 B11R2.36 ClC1=CN2C=CN=C2C=C1 ADE001445 [1,1,0,0,0,0|2,0,0]=4 340 B11R2.36 ClC1=CN=C2C=CNC2=C1 ADE000965 [1,1,0,0,0,0|2,0,0]=4 341 B11R2.36 ClC1=CN=C2C=COC2=C1 ADE001142 [1,1,0,0,0,0|1,0,0]=3 342 B11R2.36 ClC1=CN=C2NC=CC2=C1 ADE000883 [1,1,0,0,0,0|2,0,0]=4 343 B11R2.36 FC1=CC2=C(C=C1)OC=N2 CDS022749 [1,1,0,0,0,0|1,0,0]=3 344 B11R2.36 FC1=CC=C2C=NNC2=C1 CDS006466 [1,1,0,0,0,0|2,0,0]=4 345 B11R2.36 FC1=CC=C2NC=NC2=C1 CDS008386 [1,1,0,0,0,0|2,0,0]=4 346 B11R2.36 FC1=CN=C2NC=CC2=C1 ADE000902 [1,1,0,0,0,0|2,0,0]=4 347 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [1,1,0,0,0,0|0,0,2]=4 348 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [1,1,0,0,0,0|0,0,2]=4 349 B11R2.36 IC1=CC=C2OCOC2=C1 CDS003005 [1,1,0,0,0,0|1,0,1]=4 350 B11R2.36 IC1=CN=C2C=CNC2=C1 ADE000967 [1,1,0,0,0,0|2,0,0]=4 351 B11R2.36 IC1=CN=C2C=COC2=C1 ADE001138 [1,1,0,0,0,0|1,0,0]=3 352 B11R2.36 IC1=CN=C2NC=CC2=C1 ADE000885 [1,1,0,0,0,0|2,0,0]=4 353 B11R2.36 NC1=CC2=C(C=C1)NC=N2 CDS003539 [1,1,0,0,0,0|2,0,0]=4 354 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [1,1,0,0,0,0|1,0,0]=3 355 B11R2.36 NC1=CN=C2C=CNC2=C1 ADE000966 [1,1,0,0,0,0|2,0,0]=4 356 B11R2.36 NC1=CN=C2NC=CC2=C1 ADE000889 [1,1,0,0,0,0|2,0,0]=4 357 B11R2.36 OC1=CC=C2NC=NC2=C1 CBR02476 [1,1,0,0,0,0|2,0,0]=4 358 B11R2.36 OC1=CN=C2C=CNC2=C1 ADE000960 [1,1,0,0,0,0|2,0,0]=4 359 B11R2.36 OC1=CN=C2C=COC2=C1 ADE001146 [1,1,0,0,0,0|1,0,0]=3 360 B11R2.36 OC1=CN=C2NC=CC2=C1 ADE000886 [1,1,0,0,0,0|2,0,0]=4 361 B11R2.106 BrC1=CC=CC2=C1OC=C2 CDS022937 [1,1,0,0,0,0|0,0,0]=2 362 B11R2.106 BrC1=CN=CC2=C1C=CN2 CDS023625 [1,1,0,0,0,0|2,0,0]=4 363 B11R2.106 CC1=C2C=NNC2=CC=C1 CBR00232 [1,1,0,0,0,0|2,0,0]=4 364 B11R2.106 CC1=C2NN=CC2=CC=C1 CBR00226 [1,1,0,0,0,0|2,0,0]=4 365 B11R2.106 ClC1=C2NC=CC2=CC=N1 ADE001012 [1,1,0,0,0,0|2,0,0]=4 366 B11R2.106 ClC1=CC=CC2=C1C=NN2 BML00245 [1,1,0,0,0,0|2,0,0]=4 367 B11R2.106 ClC1=NC=CC2=C1C=CN2 ADE000994 [1,1,0,0,0,0|2,0,0]=4 368 B11R2.106 IC1=C2C=CNC2=NC=C1 ADE000928 [1,1,0,0,0,0|2,0,0]=4 369 B11R2.106 NC1=C2C=CNC2=NC=C1 ADE000973 [1,1,0,0,0,0|2,0,0]=4 370 B11R2.106 NC1=C2OC=CC2=NC=C1 ADE001178 [1,1,0,0,0,0|1,0,0]=3 371 B11R2.106 NC1=CC=CC2=NC=CN12 CDS016722 [1,1,0,0,0,0|2,0,0]=4 372 B11R2.106 O=C1NC=CC2=C1OC=C2 SYX00434 [1,1,0,0,0,0|1,0,0]=3 373 B11R2.106 OC1=C2C=CNC2=NC=C1 ADE000935 [1,1,0,0,0,0|2,0,0]=4 374 B11R2.106 OC1=CC=CC2=C1N=CN2 CDS008334 [1,1,0,0,0,0|2,0,0]=4 375 B11R2.106 OC1=CC=CC2=C1N=CO2 CDS009144 [1,1,0,0,0,0|1,0,0]=3 376 B11R2.106 OC1=CC=CC2=C1NC=C2 CDS005198 [1,1,0,0,0,0|1,0,0]=3 377 B11R2.106 OC1=NC=CC2=C1C=CO2 CVT00122 [1,1,0,0,0,0|1,0,0]=3 378 B11R2.106 [O-][N+]1=C2NC=CC2=CC=C1 PH009705 [1,1,0,0,0,0|2,0,0]=4 379 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)N S779156 [0,1,0,0,0,1|1,0,0]=3 380 B13R2.32 CC1=C(C2=C(C=CC=C2)N=C1)C PH006874 [0,1,0,0,0,1|1,0,0]=3 381 B13R2.32 CC1=C(C=NC2=C1C=CC=C2)N R262064 [0,1,0,0,0,1|2,0,0]=4 382 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S11313 [0,1,0,0,0,1|1,0,0]=3 383 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S832863 [0,1,0,0,0,1|1,0,0]=3 384 B13R2.32 CC1=[N+](C2=C(C=CC=C2)N=C1)[O-] PH008273 [0,1,0,0,0,1|1,0,0]=3 385 B13R2.32 CC1COC2=C(C1O)C=CC=C2 PH009239 [0,1,0,0,0,1|0,0,2]=4 386 B13R2.32 CN1C(=S)C=CC2=C1C=CC=C2 S628654 [0,1,0,0,0,1|2,0,0]=4 387 B13R2.32 CN1C=NC2=CC=CC=C2C1=O PH003333 [0,1,0,0,0,1|2,0,0]=4 388 B13R2.32 CN1N=NC2=CC=CC=C2C1=S PH007440 [0,1,0,0,0,1|2,0,0]=4 389 B13R2.32 ClC1=C(C2=CC=CC=C2N=C1)Br BBO000622 [0,1,0,0,0,1|2,0,0]=4 390 B13R2.32 ClC1=C(C=NC2=C1C=CC=C2)I SYX00306 [0,1,0,0,0,1|2,0,0]=4 391 B13R2.32 ClC1=C(C=NC2=CC=CC=C12)Br BBO000332 [0,1,0,0,0,1|2,0,0]=4 392 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)Cl S287989 [0,1,0,0,0,1|2,0,0]=4 393 B13R2.32 NC1=C(C2=CC=CC=C2C=C1)O CDS000188 [0,1,0,0,0,1|2,0,0]=4 394 B13R2.32 NC1=C(C=NC2=C1C=CC=C2)Br BBO000629 [0,1,0,0,0,1|2,0,0]=4 395 B13R2.32 O=C1C=CC2=C(N1O)C=CC=C2 PH008969 [0,1,0,0,0,1|2,0,0]=4 396 B13R2.32 OC1=C(C=NC2=C1C=CC=C2)I SYX00005 [0,1,0,0,0,1|2,0,0]=4 397 B13R2.32 OC1=C(C=NC2=CC=CC=C12)Br BBO000325 [0,1,0,0,0,1|2,0,0]=4 398 B13R2.57 C#CC1=CC=C2C=CC=CC2=C1 CDS008002 [0,1,0,0,0,1|1,0,1]=4 399 B13R2.57 CCC1=NC2=CC=CC=C2CN1 PH013509 [0,1,0,0,0,1|1,0,1]=4 400 B13R2.57 CC[N+]1=CC2=C(C=CC=C2)C=C1 S619299 [0,1,0,0,0,1|2,0,0]=4 401 B13R2.57 COC1=CC=C2C=CC=CC2=N1 T170909 [0,1,0,0,0,1|1,0,0]=3 402 B13R2.57 COC1=CC=C2C=NC=CC2=C1 T170895 [0,1,0,0,0,1|2,0,0]=4 403 B13R2.57 COC1=CN=C2C=CC=NC2=C1 ADE000867 [0,1,0,0,0,1|2,0,0]=4 404 B13R2.57 ClCC1=CC=C2C=CC=CC2=N1 TMT00192 [0,1,0,0,0,1|1,0,0]=3 405 B13R2.57 ClCC1COC2=CC=CC=C2O1 PH011072 [0,1,0,0,0,1|0,0,2]=4 406 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS018131 [0,1,0,0,0,1|1,0,0]=3 407 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS021870 [0,1,0,0,0,1|1,0,0]=3 408 B13R2.57 NCC1=CN=C2C=CC=CC2=C1 CDS007196 [0,1,0,0,0,1|1,0,0]=3 409 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 CDS008037 [0,1,0,0,0,1|1,0,1]=4 410 B13R2.57 O=CC1=CN=C2C=CC=CC2=N1 CDS015095 [0,1,0,0,0,1|1,0,1]=4 411 B13R2.57 O=CC1=NN=C2C=CC=CC2=C1 PH017680 [0,1,0,0,0,1|1,0,1]=4 412 B13R2.57 OCC1=CC=C2C=CC=CC2=N1 CDS014253 [0,1,0,0,0,1|1,0,0]=3 413 B13R2.57 OCC1=CN=C2C=CC=NC2=C1 ADE000879 [0,1,0,0,0,1|2,0,0]=4 414 B13R2.155 CC1=CN=C2C=CC(=CC2=C1)Br BBO000749 [0,1,0,0,0,1|1,0,0]=3 415 B13R2.155 CC1=CN=C2C=CC(=CC2=C1)Br CDS010158 [0,1,0,0,0,1|1,0,0]=3 416 B13R2.155 CC1=NC2=CC(=CC=C2C=C1)Br BBO000574 [0,1,0,0,0,1|1,0,0]=3 417 B13R2.155 ClC1=NC2=CC(=CC=C2C=C1)Br BBO000071 [0,1,0,0,0,1|2,0,0]=4 418 B13R2.155 NC1=CC2=CC(=CC=C2C=N1)Br CDS020029 [0,1,0,0,0,1|2,0,0]=4 419 B13R2.155 NC1=CC2=CC(=CC=C2N=C1)Br BBO000553 [0,1,0,0,0,1|2,0,0]=4 420 B13R2.155 NC1=CC=C2C=CC(=O)OC2=C1 CDS022443 [0,1,0,0,0,1|1,0,0]=3 421 B13R2.155 O=C1C=CC2=C(O1)N=C(C=C2)O PH009034 [0,1,0,0,0,1|2,0,0]=4 422 B13R2.155 O=C1CCC2=C(O1)C=C(C=C2)Br IDF00036 [0,1,0,0,0,1|1,0,1]=4 423 B13R2.155 O=C1COC2=CC=C(C=C2N1)O OTV000751 [0,1,0,0,0,1|2,0,0]=4 424 B13R2.155 OC1=CC2=CC(=CC=C2N=C1)Br BBO000554 [0,1,0,0,0,1|2,0,0]=4 425 B13R2.162 CC1=CC2=C(C=C1)N=CC=C2O BBO000008 [0,1,0,0,0,1|2,0,0]=4 426 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)N CDS000034 [0,1,0,0,0,1|1,0,0]=3 427 B13R2.162 CC1=CC=C2C=CN=C(C2=C1)Cl PH009950 [0,1,0,0,0,1|2,0,0]=4 428 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)Cl BBO000230 [0,1,0,0,0,1|2,0,0]=4 429 B13R2.162 CC1=CC=CC2=C1N=C(C=C2)C R158348 [0,1,0,0,0,1|1,0,0]=3 430 B13R2.162 ClC1=NC2=C(C=CC=C2C=C1)Br KOB0136 [0,1,0,0,0,1|2,0,0]=4 431 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)Br KOB0160 [0,1,0,0,0,1|2,0,0]=4 432 B13R2.222 CC1(CNC2=CC=CC=C2O1)C VBP00113 [0,1,0,0,0,1|0,0,2]=4 433 B13R2.222 C[N+]1(C=CC2=C(C1)C=CC=C2)C S487481 [0,1,0,0,0,1|2,0,0]=4 434 B13R2.328 CC1=CC(=C2C=CC=NC2=N1)Cl MNO000097 [0,1,0,0,0,1|2,0,0]=4 435 B13R2.328 CC1=CC(=NC2=CC=CC=C12)N BBO000578 [0,1,0,0,0,1|2,0,0]=4 436 B13R2.328 CC1=CC(=NC2=CC=CC=[N+]12)C S29859 [0,1,0,0,0,1|2,0,0]=4 437 B13R2.328 CC1=CC(=O)N2=CC=CC=C2N1 OTV000974 [0,1,0,0,0,1|2,0,0]=4 438 B13R2.328 CC1=CC(=O)N2C=CC=CC2=N1 T320765 [0,1,0,0,0,1|2,0,0]=4 439 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [0,1,0,0,0,1|1,0,0]=3 440 B13R2.328 CC1=NC2=CC=CC=C2C(=N1)Cl ANV00241 [0,1,0,0,0,1|1,0,0]=3 441 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 S732184 [0,1,0,0,0,1|1,0,0]=3 442 B13R2.328 NC1=CC2=CC=CC=C2C(=N1)Br PH009726 [0,1,0,0,0,1|2,0,0]=4 443 B13R2.328 NC1=NC(=C2C=CC=CC2=N1)N CDS001152 [0,1,0,0,0,1|2,0,0]=4 444 B13R2.328 NC1=NC2=C(C=CC=C2)C(=C1)O R240303 [0,1,0,0,0,1|2,0,0]=4 445 B13R2.328 NC1=NC2=CC=CC=C2C(=O)N1 CDS020257 [0,1,0,0,0,1|2,0,0]=4 446 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CDS019926 [0,1,0,0,0,1|2,0,0]=4 447 B13R2.328 O=C1SC(=NC2=C1C=CC=C2)S S275190 [0,1,0,0,0,1|2,0,0]=4 448 B13R2.328 OC1=CC2=C(C=CC=C2)C(=N1)O S943460 [0,1,0,0,0,1|2,0,0]=4 449 B13R2.328 [NH+]1=C(C2=C(C=CC=C2)N=C1C)O R663514 [0,1,0,0,0,1|1,0,0]=3 450 B13R2.369 CC1=C(C=C2C=CC=CC2=C1)C S295175 [0,1,0,0,0,1|1,0,0]=3 451 B13R2.369 CC1=CC2=C(C=CC=C2)C=[N+]1C S676535 [0,1,0,0,0,1|1,0,0]=3 452 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [0,1,0,0,0,1|0,0,0]=2 453 B13R2.369 CC1=NC2=C(C=CC=C2)N=C1C R530735 [0,1,0,0,0,1|1,0,0]=3 454 B13R2.369 CC1=NC2=CC=CC=C2CN1C PH013505 [0,1,0,0,0,1|1,0,1]=4 455 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [0,1,0,0,0,1|1,0,1]=4 456 B13R2.369 CC1CC2=CC=CC=C2OC1=O T217115 [0,1,0,0,0,1|0,0,2]=4 457 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O R227021 [0,1,0,0,0,1|1,0,1]=4 458 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O JRD0784 [0,1,0,0,0,1|0,0,1]=3 459 B13R2.369 CC1SC2=CC=CC=C2NC1=O JRD0961 [0,1,0,0,0,1|0,1,1]=4 460 B13R2.369 N=C1NC2=CC=CC=C2OC1=O T319554 [0,1,0,0,0,1|1,0,0]=3 461 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl PH009408 [0,1,0,0,0,1|1,0,0]=3 462 B13R2.369 O=C1SC2=C(C=CC=C2)C=C1Cl S849499 [0,1,0,0,0,1|1,1,0]=4 463 B13R2.369 S=C1NC2=C(C=CC=C2)NC1=S PH008919 [0,1,0,0,0,1|2,0,0]=4 464 B13R2.3683 CC1=CC2=C(C=C1)C=C(C=C2)F PH010449 [0,1,0,0,0,1|1,0,0]=3 465 B13R2.3683 CC1=CC2=C(C=C1)NC(=CO2)O PH001606 [0,1,0,0,0,1|2,0,0]=4 466 B13R2.3683 CC1=CC=C2C=C(C=CC2=C1)I PH005825 [0,1,0,0,0,1|1,0,0]=3 467 B13R2.3683 CC1=CC=C2C=C(C=NC2=C1)N BBO000645 [0,1,0,0,0,1|2,0,0]=4 468 B13R2.3683 CC1=CC=C2OC(=O)CCC2=C1 IDF00001 [0,1,0,0,0,1|1,0,1]=4 469 B13R2.3683 CC1=CN=C2N=C(C=CC2=C1)C ADE000845 [0,1,0,0,0,1|2,0,0]=4 470 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N R396583 [0,1,0,0,0,1|1,0,0]=3 471 B13R2.3683 CC1=NC2=NC=C(C=C2C=C1)F ADE000849 [0,1,0,0,0,1|2,0,0]=4 472 B13R2.3683 ClC1=CC=C2C=C(C=CC2=C1)Cl R415464 [0,1,0,0,0,1|2,0,0]=4 473 B13R2.3683 ClC1=NC2=CC=C(C=C2C=N1)Br CDS021044 [0,1,0,0,0,1|2,0,0]=4 474 B13R2.3683 NC1=CC2=CC=C(C=C2C=C1)O PH007390 [0,1,0,0,0,1|2,0,0]=4 475 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS000898 [0,1,0,0,0,1|1,0,0]=3 476 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS019990 [0,1,0,0,0,1|1,0,0]=3 477 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)Br CDS024307 [0,1,0,0,0,1|2,0,0]=4 478 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)F CDS024308 [0,1,0,0,0,1|2,0,0]=4 479 B13R2.3683 NC1=NC2=C(C=C1)C=C(C=C2)Br BBO000551 [0,1,0,0,0,1|2,0,0]=4 480 B13R2.3683 O=C1C=CC2=C(O1)C=CC(=C2)Cl PH007228 [0,1,0,0,0,1|1,0,0]=3 481 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)Br CDS006965 [0,1,0,0,0,1|2,0,0]=4 482 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)O CDS004847 [0,1,0,0,0,1|2,0,0]=4 483 B13R2.3683 O=C1CCC2=CC(=CC=C2O1)Br PH010437 [0,1,0,0,0,1|1,0,1]=4 484 B13R2.3683 O=C1COC2=CC(=CC=C2N1)O OTV000448 [0,1,0,0,0,1|2,0,0]=4 485 B13R2.3683 O=C1NC2=CC=C(C=C2CO1)Br PHB00124 [0,1,0,0,0,1|2,0,0]=4 486 B13R2.3683 OC1=NC2=CC=C(C=C2C=C1)Br BBO000085 [0,1,0,0,0,1|2,0,0]=4 487 B13R2.5179 CC1=CC2=NC=CC(=C2C=C1)Br BBO000588 [0,1,0,0,0,1|2,0,0]=4 488 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)Cl BBO000174 [0,1,0,0,0,1|2,0,0]=4 489 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)O BBO000221 [0,1,0,0,0,1|2,0,0]=4 490 B13R2.5179 ClC1=NC2=CC=CC(=C2C=C1)Br BBO000549 [0,1,0,0,0,1|2,0,0]=4 491 B13R2.5179 NC1=C2C=CC(=CC2=CC=C1)O CDS000157 [0,1,0,0,0,1|2,0,0]=4 492 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [0,1,0,0,0,1|2,0,0]=4 493 B13R2.5179 NC1=CC2=CC=CC(=C2N=C1)Br BBO000641 [0,1,0,0,0,1|2,0,0]=4 494 B13R2.5179 NC1=NC=C2C(=CC=CC2=N1)Cl CDS016761 [0,1,0,0,0,1|2,0,0]=4 495 B13R2.45 C(=O)C1=C(C2=C(O1)C=CC=C2)C L169501 [0,2,0,0,0,0|0,0,1]=3 496 B13R2.45 CCC1=[N+](C2=C(S1)C=CC=C2)C S264539 [0,2,0,0,0,0|1,1,0]=4 497 B13R2.45 CN1C(=NC2=C1C=CC=C2)CCl T161810 [0,2,0,0,0,0|2,0,0]=4 498 B13R2.45 CN1C2=CC=CC=C2N=C1CN CDS023403 [0,2,0,0,0,0|2,0,0]=4 499 B13R2.45 CSC1=[N+](C2=C(S1)C=CC=C2)C R438464 [0,2,0,0,0,0|1,1,0]=4 500 B13R2.45 CSC1=[N+](C2=C(S1)C=CC=C2)C S269042 [0,2,0,0,0,0|1,1,0]=4 501 B13R2.45 CSC1=[N+](C2=C(S1)C=CC=C2)C S397024 [0,2,0,0,0,0|1,1,0]=4 502 B13R2.45 N#CC1=C(C2=C(S1)C=CC=C2)N T138746 [0,2,0,0,0,0|0,1,1]=4 503 B13R2.45 N/C=C/1\CC2=C(C1=O)C=CC=C2 PH000641 [0,2,0,0,0,0|1,0,1]=4 504 B13R2.45 NCC1=C(C2=CC=CC=C2S1)Cl CBR01694 [0,2,0,0,0,0|0,1,0]=3 505 B13R2.135 CC1=C(C2=C(N1)N=CC=C2)C=O CDS023582 [0,2,0,0,0,0|2,0,0]=4 506 B13R2.135 CC1=C(C2=CC=CC=C2O1)C#N T327042 [0,2,0,0,0,0|0,0,0]=2 507 B13R2.135 CC1=C(C2=CC=CC=C2O1)C=O CDS002371 [0,2,0,0,0,0|0,0,0]=2 508 B13R2.135 CC1=C(N2C=CC=CC2=N1)CO CDS017565 [0,2,0,0,0,0|2,0,0]=4 509 B13R2.135 CC[N+]1=C(SC2=C1C=CC=C2)C L201685 [0,2,0,0,0,0|1,1,0]=4 510 B13R2.135 N1C(=O)/C(=N\O)/C2=C1C=CC=C2 T308250 [0,2,0,0,0,0|2,0,0]=4 511 B13R2.135 NCC1=C(NC2=CC=CC=C12)O PH019069 [0,2,0,0,0,0|2,0,0]=4 512 B13R2.135 OCN1C(=S)OC2=C1C=CC=C2 R240605 [0,2,0,0,0,0|2,0,0]=4 513 B13R2.135 OCN1C(=S)OC2=C1C=CC=C2 R587117 [0,2,0,0,0,0|2,0,0]=4 514 B13R2.3028 CC1=C(C2=C(O1)C=CC(=C2)N)C CDS024504 [0,2,0,0,0,0|0,0,0]=2 515 B13R2.3028 N1C(=C(C2=C1C=CC(=C2)N)C)C S428590 [0,2,0,0,0,0|1,0,0]=3 516 B13R2.3085 C1(C(=O)C2=C(C1=O)C=CC=C2)C R152196 [0,2,0,0,0,0|1,0,1]=4 517 B13R2.3085 CC1=[N+](C2=C(N1C)C=CC=C2)C S30032 [0,2,0,0,0,0|2,0,0]=4 518 B13R2.3085 CN1C(=O)C2=CC=CC=C2C1O PH000353 [0,2,0,0,0,0|2,0,0]=4 519 B13R2.3085 CN1C2=CC=CC=C2C(=C1O)N PH019068 [0,2,0,0,0,0|2,0,0]=4 520 B13R2.4825 CC1=C2C=CC=C(C2=NN1C)Br PHB00049 [0,2,0,0,0,0|2,0,0]=4 521 B13R2.4825 CC1=CC=CC2=C1NC(=C2C)C CDS014194 [0,2,0,0,0,0|1,0,0]=3 522 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O S639125 [0,2,0,0,0,0|2,0,0]=4 523 B13R2.4856 CC1=C(C2=C(O1)C=CNC2=O)C L299502 [0,2,0,0,0,0|1,0,0]=3 524 B13R2.4856 N1C(=O)C(=O)C2=C1C=CC=C2Cl S337161 [0,2,0,0,0,0|2,0,0]=4 525 B13R2.4856 O=C1NC2=C(C1=O)C(=CC=C2)Br PH016095 [0,2,0,0,0,0|2,0,0]=4 526 B13R2.4856 O=C1NC2=C(C1=O)C(=CC=C2)F CDS020844 [0,2,0,0,0,0|2,0,0]=4 527 B13R2.5190 CC1=CC=C2C(=O)C(=O)NC2=C1 CDS020596 [0,2,0,0,0,0|2,0,0]=4 528 B13R2.5190 CC1=NC2=C(N1C)C=CC(=C2)Cl PH003360 [0,2,0,0,0,0|2,0,0]=4 529 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)Br CDS000133 [0,2,0,0,0,0|2,0,0]=4 530 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)I T281182 [0,2,0,0,0,0|2,0,0]=4 531 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)Cl CDS000344 [0,2,0,0,0,0|2,0,0]=4 532 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)F PH010436 [0,2,0,0,0,0|2,0,0]=4 533 B13R2.26 C/C=C/C1=NC2=C(N1)C=CC=C2 S915440 [0,2,0,0,0,0|2,0,0]=4 534 B13R2.26 CCNC1=NC2=CC=CC=C2S1 CDS011335 [0,2,0,0,0,0|1,1,0]=4 535 B13R2.26 CCOC1=NC2=C(S1)C=CC=C2 S822531 [0,2,0,0,0,0|1,1,0]=4 536 B13R2.26 CCSC1=NC2=C(N1)C=CC=C2 S213780 [0,2,0,0,0,0|2,0,0]=4 537 B13R2.26 CNCC1=CC2=C(N1)C=CC=C2 CDS001796 [0,2,0,0,0,0|1,0,0]=3 538 B13R2.26 COCC1=NC2=C(N1)C=CC=C2 PH009932 [0,2,0,0,0,0|2,0,0]=4 539 B13R2.26 N#CCC1=CC2=C(O1)C=CC=C2 PH007906 [0,2,0,0,0,0|0,0,0]=2 540 B13R2.26 N#CCC1=NC2=CC=CC=C2O1 T317799 [0,2,0,0,0,0|1,0,0]=3 541 B13R2.26 N1C(=NC2=C1C=CC=C2)CCC S556742 [0,2,0,0,0,0|2,0,0]=4 542 B13R2.26 N1C(=NC2=C1C=CC=C2)CCO S358088 [0,2,0,0,0,0|2,0,0]=4 543 B13R2.26 NCCC1=NC2=C(N1)C=CC=C2 CDS013765 [0,2,0,0,0,0|2,0,0]=4 544 B13R2.26 NCCC1=NC2=C(N1)C=CC=C2 L300756 [0,2,0,0,0,0|2,0,0]=4 545 B13R2.26 NCCC1=NC2=C(S1)C=CC=C2 CBR02450 [0,2,0,0,0,0|1,1,0]=4 546 B13R2.26 NCCC1=NC2=CC=CC=C2O1 CBR02454 [0,2,0,0,0,0|1,0,0]=3 547 B13R2.26 NNCC1=CC2=CC=CC=C2O1 PH019448 [0,2,0,0,0,0|0,0,0]=2 548 B13R2.26 OCCC1=NC2=C(N1)C=CC=C2 R999865 [0,2,0,0,0,0|2,0,0]=4 549 B13R2.43 CC1=CC2=C(C=C1)NC(=C2)CN CDS002244 [0,2,0,0,0,0|1,0,0]=3 550 B13R2.43 CC1=CC2=NC(=CN2C=C1)CCl CBR00770 [0,2,0,0,0,0|2,0,0]=4 551 B13R2.43 CC1=CC2=NC(=CN2C=C1)CN CBR02458 [0,2,0,0,0,0|2,0,0]=4 552 B13R2.43 CC1=CC=C2N=C(NC2=C1)CCl CBR00795 [0,2,0,0,0,0|2,0,0]=4 553 B13R2.43 CC1=CC=C2N=C(NC2=C1)CCl CDS022409 [0,2,0,0,0,0|2,0,0]=4 554 B13R2.43 CC1=CC=C2N=C(OC2=C1)CCl CDS016274 [0,2,0,0,0,0|1,0,0]=3 555 B13R2.43 CC1=CC=C2NC(=NC2=C1)CN CBR00627 [0,2,0,0,0,0|2,0,0]=4 556 B13R2.43 CC1=CN2C=C(N=C2C=C1)CCl CBR00776 [0,2,0,0,0,0|2,0,0]=4 557 B13R2.43 CC1=CN2C=C(N=C2C=C1)CCl PH017210 [0,2,0,0,0,0|2,0,0]=4 558 B13R2.43 CC1=CN2C=C(N=C2C=C1)CN CBR01214 [0,2,0,0,0,0|2,0,0]=4 559 B13R2.43 CC1=CN=C2OC(=CC2=C1)CO ADE001206 [0,2,0,0,0,0|1,0,0]=3 560 B13R2.43 CCC1=CC2=CC(=CN=C2N1)Br ADE001051 [0,2,0,0,0,0|2,0,0]=4 561 B13R2.43 CCC1=CN2C=C(C=CC2=N1)Br PH016903 [0,2,0,0,0,0|2,0,0]=4 562 B13R2.43 CCC1=NC2=C(N1)C=C(C=C2)C PH010521 [0,2,0,0,0,0|2,0,0]=4 563 B13R2.43 CCC1=NC2=CC(=CC=C2O1)N CDS008245 [0,2,0,0,0,0|1,0,0]=3 564 B13R2.43 CSC1=NC2=C(S1)C=C(C=C2)N S505544 [0,2,0,0,0,0|1,1,0]=4 565 B13R2.43 CSC1=NC2=CC(=CC=C2O1)Cl T320358 [0,2,0,0,0,0|1,0,0]=3 566 B13R2.43 CSC1=NC2=CC(=CC=C2S1)Br CDS021782 [0,2,0,0,0,0|1,1,0]=4 567 B13R2.43 ClCC1=CC2=NC=C(C=C2O1)Br ADE001190 [0,2,0,0,0,0|1,0,0]=3 568 B13R2.43 ClCC1=CN2C=C(C=CC2=N1)Br SYX00146 [0,2,0,0,0,0|2,0,0]=4 569 B13R2.43 N#CC1=CC2=C(O1)C=CC(=C2)O PH008487 [0,2,0,0,0,0|0,0,1]=3 570 B13R2.43 N#CC1=CC2=NC=C(C=C2O1)Br ADE001185 [0,2,0,0,0,0|1,0,1]=4 571 B13R2.43 NC1=CC=C2NC(=NC2=C1)CO CBR01448 [0,2,0,0,0,0|2,0,0]=4 572 B13R2.43 NCC1=NC2=C(N1)C=CC(=C2)Cl PH019118 [0,2,0,0,0,0|2,0,0]=4 573 B13R2.43 NCC1=NC2=C(O1)C=C(C=C2)Cl PH019048 [0,2,0,0,0,0|1,0,0]=3 574 B13R2.43 NCC1=NC2=C(O1)C=C(C=C2)F PH019149 [0,2,0,0,0,0|1,0,0]=3 575 B13R2.43 NCC1=NC2=C(O1)C=CC(=C2)Cl PH019150 [0,2,0,0,0,0|1,0,0]=3 576 B13R2.43 NCC1=NC2=CC(=CC=C2N1)Cl CDS006508 [0,2,0,0,0,0|2,0,0]=4 577 B13R2.43 NCC1=NC2=CC(=CC=C2N1)F CDS023886 [0,2,0,0,0,0|2,0,0]=4 578 B13R2.43 NNC1=NC2=C(O1)C=C(C=C2)Cl CBR01288 [0,2,0,0,0,0|2,0,0]=4 579 B13R2.43 O=CC1=CC2=CC(=CC=C2O1)Br CDS015785 [0,2,0,0,0,0|0,0,1]=3 580 B13R2.43 O=CC1=CC2=CC(=CN=C2O1)Br ADE001211 [0,2,0,0,0,0|1,0,1]=4 581 B13R2.43 O=CC1=CC2=CC(=CN=C2O1)Cl ADE001209 [0,2,0,0,0,0|1,0,1]=4 582 B13R2.43 O=CC1=CC2=NC=C(C=C2O1)Br ADE001151 [0,2,0,0,0,0|1,0,1]=4 583 B13R2.43 OCC1=CC2=CC(=CN=C2O1)Br ADE001196 [0,2,0,0,0,0|1,0,0]=3 584 B13R2.43 OCC1=CC2=CC(=CN=C2O1)Cl ADE001208 [0,2,0,0,0,0|1,0,0]=3 585 B13R2.43 OCC1=CC2=CC(=CN=C2O1)F ADE001187 [0,2,0,0,0,0|1,0,0]=3 586 B13R2.43 OCC1=CC2=NC=C(C=C2O1)Br ADE001137 [0,2,0,0,0,0|1,0,0]=3 587 B13R2.43 OCC1=CC2=NC=C(C=C2O1)O ADE001182 [0,2,0,0,0,0|1,0,0]=3 588 B13R2.43 OCC1=NC2=C(N1)C=CC(=C2)Cl CBR01079 [0,2,0,0,0,0|2,0,0]=4 589 B13R2.43 OCC1=NC2=C(N1)C=CC(=C2)F CBR00282 [0,2,0,0,0,0|2,0,0]=4 590 B13R2.54 CC1=C2N=C(OC2=CC=C1)CN CBR00881 [0,2,0,0,0,0|1,0,0]=3 591 B13R2.54 CC1=CC=CC2=C1N=C(N2)CN CBR01358 [0,2,0,0,0,0|2,0,0]=4 592 B13R2.54 CC1=CC=CC2=NC(=CN12)CBr CDS021550 [0,2,0,0,0,0|2,0,0]=4 593 B13R2.54 CC1=CC=CC2=NC(=CN12)CO CBR00356 [0,2,0,0,0,0|2,0,0]=4 594 B13R2.54 CC1=CC=CN2C1=NC(=C2)CBr CDS021552 [0,2,0,0,0,0|2,0,0]=4 595 B13R2.54 CC1=CC=CN2C1=NC(=C2)CN CBR02457 [0,2,0,0,0,0|2,0,0]=4 596 B13R2.54 CC1=CC=CN2C1=NC(=C2)CO CBR00543 [0,2,0,0,0,0|2,0,0]=4 597 B13R2.54 CC[N+]1=CC2=C(O1)C=CC=C2O S765554 [0,2,0,0,0,0|1,0,0]=3 598 B13R2.54 COC1=NC2=C(S1)C=CC=C2Cl R785733 [0,2,0,0,0,0|1,1,0]=4 599 B13R2.54 ClCC1=CN2C(=CC=CC2=N1)Br SYX00145 [0,2,0,0,0,0|2,0,0]=4 600 B13R2.54 NCC1=CN2C=CC=C(C2=N1)O OTV000440 [0,2,0,0,0,0|2,0,0]=4 601 B13R2.54 NCC1=NC2=C(O1)C(=CC=C2)Cl PH018998 [0,2,0,0,0,0|1,0,0]=3 602 B13R2.435 CC(=O)C1=CN2C=CC=CC2=C1 PH014750 [0,2,0,0,0,0|2,0,0]=4 603 B13R2.435 CC(=O)C1=NC2=C(S1)C=CC=C2 CDS003776 [0,2,0,0,0,0|1,1,0]=4 604 B13R2.435 CC(N)C1=CN2C=CC=CC2=N1 PH019475 [0,2,0,0,0,0|2,0,0]=4 605 B13R2.435 ClC(Cl)C1=NC2=C(N1)C=CC=C2 PH002406 [0,2,0,0,0,0|2,0,0]=4 606 B13R2.435 N1C(=NC2=C1C=CC=C2)C(C)O S30148 [0,2,0,0,0,0|2,0,0]=4 607 B13R2.435 NC(=O)C1=CC2=C(O1)C=CC=C2 S815276 [0,2,0,0,0,0|0,0,1]=3 608 B13R2.581 COC1=C2SC(=NC2=CC=C1)C PH003522 [0,2,0,0,0,0|1,1,0]=4 609 B13R2.3050 CC1=CC2=C(C(=CC=C2N1)O)F CDS009038 [0,2,0,0,0,0|1,0,0]=3 610 B13R2.5397 CC1=CC2=C(O1)N=C(N=C2C)N CBR00422 [0,2,0,0,0,0|2,0,0]=4 611 B13R2.5397 CC1=CC2=C(SC(=N2)C)C(=C1)C L203300 [0,2,0,0,0,0|1,1,0]=4 612 B13R2.5397 CC1=CC2=NC(=CC(=O)N2O1)Cl T323799 [0,2,0,0,0,0|2,0,0]=4 613 B13R2.5397 CC1=CC2=[N+](O1)C(=CC(=N2)C)C R908614 [0,2,0,0,0,0|2,0,0]=4 614 B13R2.2121 CC1=NC2=CC(=CC=C2S1)NN PH019171 [0,2,0,0,0,0|1,1,0]=4 615 B13R2.2121 COC1=CC2=C(C=C1)OC(=N2)C S986259 [0,2,0,0,0,0|1,0,0]=3 616 B13R2.13083 CC1=C(C=C2OC(=O)NC2=C1)C JRD0588 [0,2,0,0,0,0|2,0,0]=4 617 B13R2.13083 CC1=CC2=C(C=C1C)OC(=N2)C S439428 [0,2,0,0,0,0|1,0,0]=3 618 B13R2.13083 CC1=CC2=C(C=C1Cl)N=C(O2)C S544353 [0,2,0,0,0,0|1,0,0]=3 619 B13R2.13083 CC1=CC2=C(C=C1Cl)N=C(O2)O JRD1496 [0,2,0,0,0,0|2,0,0]=4 620 B13R2.13083 CC1=CN2C=C(C(=CC2=N1)C)Br OTV000749 [0,2,0,0,0,0|2,0,0]=4 621 B13R2.13083 CC1=NC2=CC(=C(C=C2S1)C)C R367850 [0,2,0,0,0,0|1,1,0]=4 622 B13R2.13083 O=C1NC2=C(O1)C=C(C(=C2)Cl)Br PH004305 [0,2,0,0,0,0|2,0,0]=4 623 B13R2.13083 O=C1NC2=CC(=C(C=C2O1)Cl)Cl PH004238 [0,2,0,0,0,0|2,0,0]=4 624 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [0,0,2,0,0,0|1,0,1]=4 625 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [0,0,1,1,0,0|2,0,0]=4 626 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [0,0,1,1,0,0|1,0,1]=4 627 B11R2.20 C1=CC=C2OCCNC2=C1 CDS019685 [0,0,1,1,0,0|1,0,1]=4 628 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [0,0,1,1,0,0|1,0,0]=3 629 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [0,0,1,0,1,0|0,1,1]=4 630 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [0,0,1,0,1,0|2,0,0]=4 631 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [0,0,1,0,1,0|1,0,1]=4 632 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [0,0,1,0,1,0|2,0,0]=4 633 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [0,0,1,0,1,0|2,0,0]=4 634 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [0,0,1,0,1,0|1,0,1]=4 635 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [0,0,1,0,1,0|2,0,0]=4 636 B9R1.50 O=C1C=CC=CC=CC1 T179078 [0,0,1,0,1,0|1,0,1]=4 637 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [0,0,1,0,0,1|1,0,1]=4 638 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,0,1,0,0,1|1,0,0]=3 639 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,0,1,0,0,1|0,1,0]=3 640 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [0,0,1,0,0,1|2,0,0]=4 641 B11R1.91 C=C(Cl)CSC1=CC=CC=C1 S767883 [0,0,1,0,0,1|1,1,0]=4 642 B11R1.91 CC(=NOC1=CC=NC=C1)C T160091 [0,0,1,0,0,1|1,0,1]=4 643 B11R1.91 CC(=NOC1=CC=NC=C1)C T161659 [0,0,1,0,0,1|1,0,1]=4 644 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,0,1,0,0,1|0,0,2]=4 645 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [0,0,1,0,0,1|2,0,0]=4 646 B11R1.91 CC(C)N=CC1=CC=CC=C1 S376825 [0,0,1,0,0,1|1,0,1]=4 647 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [0,0,1,0,0,1|0,0,2]=4 648 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [0,0,1,0,0,1|1,0,1]=4 649 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 R428108 [0,0,1,0,0,1|2,0,0]=4 650 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 S361119 [0,0,1,0,0,1|2,0,0]=4 651 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [0,0,1,0,0,1|2,0,0]=4 652 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [0,0,1,0,0,1|2,0,0]=4 653 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [0,0,1,0,0,1|2,0,0]=4 654 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [0,0,1,0,0,1|1,0,0]=3 655 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [0,0,1,0,0,1|2,0,0]=4 656 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [0,0,1,0,0,1|2,0,0]=4 657 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [0,0,1,0,0,1|1,0,1]=4 658 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [0,0,1,0,0,1|1,0,1]=4 659 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [0,0,1,0,0,1|2,0,0]=4 660 B13R2.33 CC1COC2=C(C=CC=C2)CN1 CDS024592 [0,0,0,0,0,2|0,0,2]=4 661 B13R2.33 O=C1C=CC2=C(C=CC=C2)CC1 T199605 [0,0,0,0,0,2|2,0,0]=4 662 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 T176389 [0,0,0,0,0,2|2,0,0]=4