0 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.3 CC1=CNC(=O)C=C1 T162647 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.3 CC1=NC=C(C=N1)Br CDS022509 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.3 CC1=NN=C(C=C1)N CDS005355 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.3 ClC1=CC=C(N=N1)I KOB0085 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.3 ClC1=CN=C(N=C1)I SYX00017 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.3 ClC1=NC=C(C=N1)I SYX00335 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.3 FC1=NC=C(C=N1)Br CDS004432 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.3 FC1=NC=C(C=N1)Br SYX00292 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.3 NC1=CC=C(C=C1)F S414190 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.3 NC1=CC=C(C=C1)N S706698 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.3 NC1=CN=C(C=N1)Cl CDS005437 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.3 NC1=CN=C(N=C1)Cl CDS009800 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [0,0,0,0,0,0|2,0,1]=3 20 B8R1.3 OC1=CC=C(N=N1)Cl CVT00040 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.3 OC1=CC=C(N=N1)Cl SYX00271 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [0,0,0,0,0,0|1,1,0]=2 23 B7R1.3 BrC1=CC=CN=N1 CDS023312 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.3 BrC1=CN=CC=N1 CDS005022 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.3 BrC1=CN=NC=C1 CDS022809 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.3 CC1=CC=NC=C1 T256412 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.3 CC1=CC=NC=C1 T330418 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.3 NC1=CC=CC=C1 S698326 [1,0,0,0,0,0|1,0,0]=2 29 B7R1.3 NC1=CC=CC=N1 S822329 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.3 NC1=CC=NN=C1 CDS006078 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.3 O=C1C=CC=CN1 T160121 [1,0,0,0,0,0|1,0,1]=3 32 B7R1.3 O=C1C=CNC=C1 T161470 [1,0,0,0,0,0|1,0,1]=3 33 B7R1.3 O=C1C=CSC=C1 T162035 [1,0,0,0,0,0|1,0,1]=3 34 B7R1.3 OC1=CC=NC=C1 CDS013613 [1,0,0,0,0,0|1,0,0]=2 35 B7R1.3 S=C1C=CSC=C1 S874310 [1,0,0,0,0,0|1,1,0]=3 36 B7R1.3 SC1=NC=CC=N1 S565652 [1,0,0,0,0,0|2,1,0]=4 37 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [1,0,0,0,0,0|0,0,1]=2 38 B7R1.3 [O-]C1=CN=CC=N1 S451452 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.3 [S-]C1=CC=CC=C1 S578991 [1,0,0,0,0,0|0,1,0]=2 40 B9R1.1 C#CC1=CC=C(C=N1)C CBR02071 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.1 C#CC1=CC=C(N=C1)C CDS023335 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.1 C#CC1=CC=C(N=C1)Cl CDS021113 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [0,1,0,0,0,0|2,0,1]=4 44 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [0,1,0,0,0,0|2,0,1]=4 45 B9R1.1 CC1=CC=C(C=C1)CS S369497 [0,1,0,0,0,0|1,1,0]=3 46 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [0,1,0,0,0,0|1,1,0]=3 47 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [0,1,0,0,0,0|2,0,1]=4 49 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.1 CC1C=CC(C=C1)CO T168033 [0,1,0,0,0,0|1,0,2]=4 51 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [0,1,0,0,0,0|2,0,1]=4 52 B9R1.1 CCC1=CN=C(N=C1)O CBR01415 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [0,1,0,0,0,0|1,0,1]=3 55 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [0,1,0,0,0,0|1,1,0]=3 60 B9R1.1 CSC1=CC=C(C=C1)N S418595 [0,1,0,0,0,0|1,1,0]=3 61 B9R1.1 CSC1=CC=C(N=C1)Br CBR00035 [0,1,0,0,0,0|2,1,0]=4 62 B9R1.1 CSC1=NC=C(C=N1)O S217581 [0,1,0,0,0,0|2,1,0]=4 63 B9R1.1 C[N+]1=CC=C(C=C1)C#N S649082 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.1 N#CC1=CC=C(N=C1)Br CDS003693 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.1 N#CC1=CC=C(N=C1)F CDS002963 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.1 NCC1=CC=C(C=C1)F R750263 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [0,1,0,0,0,0|1,0,1]=3 71 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [0,1,0,0,0,0|1,0,2]=4 72 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F PH015011 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.10 O=C1C=CS(=O)(=O)C=C1 T162299 [0,1,0,0,0,0|1,0,2]=4 74 B9R1.69 BrC1=CN=C(C(=C1)Br)Br PH005118 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.69 BrC1=CN=C(C(=C1)I)I ADE000168 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [0,1,0,0,0,0|2,0,0]=3 79 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [0,1,0,0,0,0|1,1,0]=3 82 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [0,1,0,0,0,0|1,0,0]=2 83 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [0,1,0,0,0,0|1,1,0]=3 84 B9R1.69 CC1=C(C=CC(=N1)N)I ADE000318 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.69 CC1=C(C=CC(=N1)O)I BCH00049 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.69 CC1=C(C=NC(=C1)N)I ADE000313 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.69 CC1=C(C=[N+](C=C1)[O-])C T161616 [0,1,0,0,0,0|2,0,1]=4 88 B9R1.69 CC1=C(C=[N+](C=C1)[O-])Cl T161411 [0,1,0,0,0,0|2,0,1]=4 89 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.69 CC1=C(N=C(C=C1)Cl)I ADE001345 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.69 CC1=C(N=CC(=C1)Br)F CDS003028 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.69 CC1=CC(=C(N=C1)F)I SYX00020 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.69 CC1=CC(=CC=C1N)N S442275 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.69 CC1=CC(=CN=C1Br)N CDS014715 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.69 CC1=CC(=CN=C1F)N CDS017686 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.69 CC1=CC(=CN=C1N)I ADE000317 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.69 CC1=CC(=NC=C1Cl)F CDS003110 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.69 CC1=CC(=NC=C1N)Br CDS022688 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.69 CC1=CC(=NC=C1N)Br PHB00200 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [0,1,0,0,0,0|1,0,0]=2 105 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [0,1,0,0,0,0|1,0,0]=2 108 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [0,1,0,0,0,0|2,0,1]=4 109 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.69 CC1=CN=C(C(=C1)Cl)Cl ADE000749 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.69 CC1=CN=C(C(=C1)I)Cl ADE000728 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.69 CC1=CN=C(C(=C1)I)N ADE000412 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.69 CC1=CN=C(C=C1I)Cl ADE000739 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.69 CC1=NC(=C(C=C1)Br)F CDS021914 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.69 CC1=NC(=CC=C1F)Br CDS002984 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.69 CC1=[N+](C=C(C=C1)O)[O-] S580147 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.69 ClC1=CC(=CN=C1Cl)Br CDS003025 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.69 ClC1=CC=C(N=C1Cl)Br ADE000573 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.69 ClC1=CN=C(C(=C1)Cl)Br CDS003979 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.69 ClC1=CN=C(C(=C1)I)Cl ADE000151 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.69 ClC1=CN=C(C(=C1)I)I ADE000190 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.69 ClC1=NC(=CC=C1I)Br ADE000551 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.69 ClC1=NC=C(C=C1I)Br ADE000303 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.69 FC1=C(C=CC(=N1)Cl)I BCH00052 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.69 FC1=CC(=CC=C1Cl)Br CDS014130 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.69 FC1=CC=C(C(=C1)Cl)Br CDS004020 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.69 FC1=CC=C(C(=C1)Cl)I CDS003030 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.69 FC1=CC=C(C(=C1)I)Cl CDS010723 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.69 FC1=CC=C(C(=C1)S)F CDS011187 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.69 FC1=CC=C(C=C1Br)S CDS008156 [0,1,0,0,0,0|1,1,0]=3 136 B9R1.69 FC1=CN=C(C(=C1)I)Cl ADE000396 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.69 NC1=C(C=C(C=C1)S)F KOB0167 [0,1,0,0,0,0|1,1,0]=3 138 B9R1.69 NC1=C(C=C(C=N1)I)I BCH00048 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.69 NC1=CC(=C(C=N1)I)Cl ADE001302 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.69 NC1=CC(=CN=C1Br)Br ADE000414 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.69 NC1=CC(=CN=C1Br)I ADE000540 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.69 NC1=CC=C(C(=C1)Br)Cl CDS020727 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.69 NC1=CC=C(C(=N1)Cl)Br ADE001344 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.69 NC1=CC=C(C(=N1)Cl)I ADE001343 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.69 NC1=CC=C(C=C1Cl)Cl S851930 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.69 NC1=CC=C(N=C1Cl)Br ADE000545 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.69 NC1=CC=C(N=C1Cl)I ADE000546 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.69 NC1=NC(=CC=C1Cl)Cl R428159 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.69 NC1=NC=C(C(=C1)Cl)Cl PHB00293 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.69 NC1=NC=C(C=C1Br)Br R464333 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.69 NC1=NC=C(C=C1I)Cl ADE000363 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.69 NC1=NC=C(C=C1I)F ADE000390 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [0,1,0,0,0,0|2,0,1]=4 158 B9R1.69 O=C1[N-]C=C(C=C1Br)Br S433098 [0,1,0,0,0,0|2,0,1]=4 159 B9R1.69 OC1=C(C=C(C=N1)Br)Br S376981 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.69 OC1=C(N=C(C=C1)I)I PH009991 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [0,1,0,0,0,0|1,0,0]=2 162 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.69 OC1=CC(=CN=C1Br)Br ADE000498 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.69 OC1=CC(=CN=C1Br)I ADE000476 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.69 OC1=CC(=CN=C1Cl)Br ADE000395 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.69 OC1=CC(=CN=C1Cl)Cl ADE000179 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.69 OC1=CC(=CN=C1I)Br ADE000419 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.69 OC1=CC(=CN=C1I)I ADE000562 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.69 OC1=CC(=CN=C1O)Cl S453668 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [0,1,0,0,0,0|1,0,0]=2 171 B9R1.69 OC1=CC=C(N=C1Br)Br R584770 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.69 OC1=CC=C(N=C1Br)I ADE000492 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.69 OC1=CC=C(N=C1Cl)Br ADE000592 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.69 OC1=NC=C(C=C1I)Br ADE000304 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.69 OC1=NC=C(C=C1I)Cl ADE000152 [0,1,0,0,0,0|2,0,0]=3 176 B9R1.69 OC1=NC=C(C=C1I)F ADE000397 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.69 OC1=NN=C(C(=C1)Cl)O S344079 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.69 [O-]C1=CC=C(C(=C1)Cl)Cl S697400 [0,1,0,0,0,0|1,0,1]=3 179 B7R0.3 C=C/C=C/C(C)C=C S418986 [0,0,1,0,0,0|2,0,1]=4 180 B7R0.3 C=CC(O)C/C=C\C T241768 [0,0,1,0,0,0|1,0,2]=4 181 B7R1.2 BrC1=CC=C(O1)Br CDS000239 [0,0,0,0,1,0|3,0,0]=4 182 B7R1.2 BrC1=COC(=C1)Br T266507 [0,0,0,0,1,0|3,0,0]=4 183 B7R1.2 O=C1C=CC(=O)O1 S453374 [0,0,0,0,1,0|1,0,2]=4 184 B7R1.2 OC1C=CC(C1)O S779164 [0,0,0,0,1,0|0,0,3]=4 185 B6R1.1 C1=CC=CC=C1 S458074 [2,0,0,0,0,0|0,0,0]=2 186 B6R1.1 C1=CC=NC=C1 S503533 [2,0,0,0,0,0|1,0,0]=3 187 B8R0.23 C(=C(/Br)\C(=O)O)\C(=O)O S455768 [0,1,1,0,0,0|2,0,0]=4 188 B8R0.23 O=C(O)/C=C(\Cl)/C(=O)O S864625 [0,1,1,0,0,0|2,0,0]=4 189 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [1,1,0,0,0,0|1,0,0]=3 190 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.2 C1(C=CCC=C1)CO T175528 [1,1,0,0,0,0|0,0,2]=4 192 B8R1.2 C=CC1=CC=CC=C1 S460680 [1,1,0,0,0,0|1,0,0]=3 193 B8R1.2 C=CC1=CC=CC=C1 S461830 [1,1,0,0,0,0|1,0,0]=3 194 B8R1.2 C=CC1=CC=CC=C1 S462152 [1,1,0,0,0,0|1,0,0]=3 195 B8R1.2 COC1=NC=CC=N1 CDS005079 [1,1,0,0,0,0|2,0,0]=4 196 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [1,1,0,0,0,0|1,0,0]=3 197 B8R1.2 NCC1=CC=CC=C1 S696684 [1,1,0,0,0,0|1,0,0]=3 198 B8R1.2 NCC1=CN=CC=C1 S763780 [1,1,0,0,0,0|2,0,0]=4 199 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [1,1,0,0,0,0|0,0,1]=3 200 B8R1.2 OCC1=CC=CN=N1 CDS015970 [1,1,0,0,0,0|2,0,0]=4 201 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [1,1,0,0,0,0|0,1,0]=3 202 B8R1.4 CC1=CC(=O)NC=C1 T162655 [1,1,0,0,0,0|1,0,1]=4 203 B8R1.4 CC1=CC=CC(=C1)N R647047 [1,1,0,0,0,0|1,0,0]=3 204 B8R1.4 CC1=CC=CC(=O)N1 S766364 [1,1,0,0,0,0|1,0,1]=4 205 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.4 ClC1=CC(=CN=C1)I ADE000367 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.4 FC1=CC=CC(=N1)Br CDS002875 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.4 NC1=CC(=CN=C1)Cl ANV00078 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.4 NC1=CC(=CN=C1)I ADE000379 [1,1,0,0,0,0|2,0,0]=4 211 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [1,1,0,0,0,0|1,0,0]=3 212 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [1,1,0,0,0,0|1,0,0]=3 213 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [1,1,0,0,0,0|1,0,0]=3 214 B8R1.4 NC1=NC(=CC=C1)I ADE000340 [1,1,0,0,0,0|2,0,0]=4 215 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [1,1,0,0,0,0|1,0,1]=4 216 B8R1.4 OC1=CC=CC(=N1)O S458678 [1,1,0,0,0,0|1,0,0]=3 217 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [1,1,0,0,0,0|1,0,0]=3 218 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [1,1,0,0,0,0|1,0,0]=3 219 B8R1.4 OC1=NC(=CN=C1)Cl CBR01733 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.5 CC1=CN=CC=C1N CDS003217 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.5 FC1=CC=CN=C1I ADE000285 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.5 IC1=CC=CN=C1I ADE000256 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [1,1,0,0,0,0|0,1,0]=3 227 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [1,1,0,0,0,0|1,0,0]=3 228 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [1,1,0,0,0,0|1,0,0]=3 229 B8R1.5 NC1=CC=CC=C1O S378569 [1,1,0,0,0,0|0,0,0]=2 230 B8R1.5 NC1=CC=CC=[N+]1[O-] CDS014426 [1,1,0,0,0,0|1,0,1]=4 231 B8R1.5 NC1=CC=CN=C1O CDS007860 [1,1,0,0,0,0|1,0,0]=3 232 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.5 O=C1C=CC=CN1[K] T160997 [1,1,0,0,0,0|1,0,1]=4 234 B8R1.5 O=C1NC=CC=C1Cl T161063 [1,1,0,0,0,0|1,0,1]=4 235 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [1,1,0,0,0,0|1,0,0]=3 236 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [1,1,0,0,0,0|1,0,0]=3 237 B8R1.5 OC1=CN=CC=C1Br CDS021897 [1,1,0,0,0,0|1,0,0]=3 238 B8R1.5 OC1=NC=CC=C1F CDS019950 [1,1,0,0,0,0|1,0,0]=3 239 B8R1.1 CC1=CC(=CS1)CO TMT00554 [0,1,0,0,1,0|2,0,0]=4 240 B8R1.1 OCC1=CC(=CS1)Br CDS016046 [0,1,0,0,1,0|2,0,0]=4 241 B8R1.1 OCC1=CC=C(S1)F PHB00247 [0,1,0,0,1,0|2,0,0]=4 242 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [0,2,0,0,0,0|1,0,1]=4 243 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [0,2,0,0,0,0|0,0,1]=3 244 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [0,2,0,0,0,0|1,0,0]=3 245 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [0,2,0,0,0,0|1,0,0]=3 246 B10R1.1 CC1=CC=C(C=C1)C#CI RNI00066 [0,2,0,0,0,0|2,0,0]=4 247 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [0,2,0,0,0,0|2,0,0]=4 248 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [0,2,0,0,0,0|2,0,0]=4 249 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [0,2,0,0,0,0|2,0,0]=4 250 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [0,2,0,0,0,0|1,0,0]=3 251 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [0,2,0,0,0,0|1,0,0]=3 252 B10R1.1 CCOC1=NC=C(C=C1)N PH010489 [0,2,0,0,0,0|2,0,0]=4 253 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [0,2,0,0,0,0|1,1,0]=4 254 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [0,2,0,0,0,0|1,1,0]=4 255 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [0,2,0,0,0,0|2,0,0]=4 256 B10R1.1 COCC1=CC=C(C=C1)O S392596 [0,2,0,0,0,0|0,0,0]=2 257 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [0,2,0,0,0,0|1,1,0]=4 258 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [0,2,0,0,0,0|1,1,0]=4 259 B10R1.1 C[N+]1=CC=C(C=C1)/C=N/O S935689 [0,2,0,0,0,0|2,0,0]=4 260 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [0,2,0,0,0,0|2,0,0]=4 261 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [0,2,0,0,0,0|2,0,0]=4 262 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [0,2,0,0,0,0|2,0,0]=4 263 B10R1.1 O/N=C/C1=CC=C(C=C1)I S907146 [0,2,0,0,0,0|1,0,0]=3 264 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [0,2,0,0,0,0|0,0,0]=2 265 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [0,2,0,0,0,0|1,0,1]=4 266 B10R1.1 ON=CC1=CC=C(C=C1)Cl S520594 [0,2,0,0,0,0|1,0,0]=3 267 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [0,2,0,0,0,0|2,0,0]=4 268 B10R1.1 [O-][N+]1=CC=C(C=C1)C=NO PH008962 [0,2,0,0,0,0|1,0,1]=4 269 B10R1.3 BrCC1=CC=C(C=C1)CBr S36308 [0,2,0,0,0,0|2,0,0]=4 270 B10R1.3 C#CC1=CC=C(C=N1)OC CDS023940 [0,2,0,0,0,0|2,0,0]=4 271 B10R1.3 C=CC1=CC=C(C=C1)C#N CDS000773 [0,2,0,0,0,0|2,0,0]=4 272 B10R1.3 CCC1=CC=C(C=C1)CN L480800 [0,2,0,0,0,0|2,0,0]=4 273 B10R1.3 CCC1=CN=C(C=C1)CO CBR01470 [0,2,0,0,0,0|2,0,0]=4 274 B10R1.3 CNC1=CC=C(C=C1)N=O S396362 [0,2,0,0,0,0|1,0,1]=4 275 B10R1.3 COC1=CC=C(C=C1)[Hg]Cl S881198 [0,2,0,0,0,0|1,0,0]=3 276 B10R1.3 COC1=CN=C(C=C1)CCl CDS023439 [0,2,0,0,0,0|2,0,0]=4 277 B10R1.3 CSC1=CC=C(C=C1)CN CDS002972 [0,2,0,0,0,0|1,1,0]=4 278 B10R1.3 N#CC1=CC=C(C=C1)CN CDS003082 [0,2,0,0,0,0|2,0,0]=4 279 B10R1.3 N#CC1=CC=C(C=C1)CS OTV000790 [0,2,0,0,0,0|1,1,0]=4 280 B10R1.3 NCC1=CC=C(C=C1)C=O PH018701 [0,2,0,0,0,0|1,0,1]=4 281 B10R1.3 NCC1=CC=C(C=C1)CO CDS017680 [0,2,0,0,0,0|1,0,0]=3 282 B10R1.3 [C-]#[N+]C1=CC=C(C=C1)CC PH015675 [0,2,0,0,0,0|2,0,0]=4 283 B10R1.13 BrC1=CC=C(C=C1)[Sb](I)I PH002149 [0,2,0,0,0,0|2,0,0]=4 284 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [0,2,0,0,0,0|2,0,0]=4 285 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [0,2,0,0,0,0|2,0,0]=4 286 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [0,2,0,0,0,0|1,1,0]=4 287 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [0,2,0,0,0,0|2,0,0]=4 288 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [0,2,0,0,0,0|1,0,0]=3 289 B10R1.13 CC1=CC=C(C=N1)B(O)O CDS020001 [0,2,0,0,0,0|2,0,0]=4 290 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [0,2,0,0,0,0|2,0,0]=4 291 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [0,2,0,0,0,0|1,1,0]=4 292 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [0,2,0,0,0,0|2,0,0]=4 293 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [0,2,0,0,0,0|2,0,0]=4 294 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [0,2,0,0,0,0|2,0,0]=4 295 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [0,2,0,0,0,0|1,0,0]=3 296 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [0,2,0,0,0,0|1,0,0]=3 297 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [0,2,0,0,0,0|1,0,0]=3 298 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [0,2,0,0,0,0|1,0,1]=4 299 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [0,2,0,0,0,0|0,1,0]=3 300 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [0,2,0,0,0,0|1,0,0]=3 301 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [0,2,0,0,0,0|1,0,1]=4 302 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [0,2,0,0,0,0|2,0,0]=4 303 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [0,2,0,0,0,0|1,0,0]=3 304 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [0,2,0,0,0,0|1,0,1]=4 305 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [0,2,0,0,0,0|1,0,1]=4 306 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [0,2,0,0,0,0|0,0,2]=4 307 B10R1.13 OB(O)C1=CC=C(C=N1)Cl CDS002921 [0,2,0,0,0,0|2,0,0]=4 308 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [0,2,0,0,0,0|1,0,1]=4 309 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [0,2,0,0,0,0|1,0,1]=4 310 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [0,2,0,0,0,0|2,0,0]=4 311 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [0,2,0,0,0,0|2,0,0]=4 312 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [0,2,0,0,0,0|2,0,0]=4 313 B10R1.25 CC1=CC(=CC=C1C#N)N CDS015445 [0,2,0,0,0,0|2,0,0]=4 314 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [0,2,0,0,0,0|0,0,1]=3 315 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [0,2,0,0,0,0|0,0,1]=3 316 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [0,2,0,0,0,0|2,0,0]=4 317 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [0,2,0,0,0,0|1,0,0]=3 318 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [0,2,0,0,0,0|1,0,0]=3 319 B10R1.25 COC1=C(N=C(C=C1)N)Cl PHB00092 [0,2,0,0,0,0|2,0,0]=4 320 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [0,2,0,0,0,0|1,0,0]=3 321 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [0,2,0,0,0,0|1,0,0]=3 322 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [0,2,0,0,0,0|1,0,0]=3 323 B10R1.25 COC1=CC=C(N=C1Br)I ADE000467 [0,2,0,0,0,0|2,0,0]=4 324 B10R1.25 COC1=CC=C(N=C1I)I ADE000548 [0,2,0,0,0,0|2,0,0]=4 325 B10R1.25 COC1=CC=[N+](C=C1C)C S580449 [0,2,0,0,0,0|2,0,0]=4 326 B10R1.25 COC1=NC=C(C=C1I)Br ADE000276 [0,2,0,0,0,0|2,0,0]=4 327 B10R1.25 COC1=NC=C(C=C1I)C ADE000726 [0,2,0,0,0,0|2,0,0]=4 328 B10R1.25 COC1=NC=C(C=C1I)Cl ADE000169 [0,2,0,0,0,0|2,0,0]=4 329 B10R1.25 COC1=NC=C(C=C1N)Br ADE000451 [0,2,0,0,0,0|2,0,0]=4 330 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [0,2,0,0,0,0|2,0,0]=4 331 B10R1.25 COC1=NC=C(C=C1O)Cl ADE000171 [0,2,0,0,0,0|2,0,0]=4 332 B10R1.25 FC1=CC(=CC=C1CS)Cl CDS003831 [0,2,0,0,0,0|1,1,0]=4 333 B10R1.25 FC1=CC=C(C(=C1)Cl)CBr CDS001435 [0,2,0,0,0,0|2,0,0]=4 334 B10R1.25 N#CC1=CC=C(C=C1Cl)Cl S654361 [0,2,0,0,0,0|2,0,0]=4 335 B10R1.25 NCC1=CC=C(C=C1F)Br CDS003182 [0,2,0,0,0,0|2,0,0]=4 336 B10R1.25 NNC1=C(C=C(C=C1)Cl)Br PH008591 [0,2,0,0,0,0|2,0,0]=4 337 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [0,2,0,0,0,0|1,0,1]=4 338 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [0,2,0,0,0,0|1,0,1]=4 339 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [0,2,0,0,0,0|1,0,0]=3 340 B10R1.25 OCC1=CC=C(N=C1Cl)Cl KOB0069 [0,2,0,0,0,0|2,0,0]=4 341 B10R1.176 C(=O)C1=CC(=C(C=C1)Br)Br R277363 [0,2,0,0,0,0|1,0,1]=4 342 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [0,2,0,0,0,0|2,0,0]=4 343 B10R1.176 CC1=C(C=CC(=C1)C#N)N CDS001194 [0,2,0,0,0,0|2,0,0]=4 344 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [0,2,0,0,0,0|2,0,0]=4 345 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [0,2,0,0,0,0|2,0,0]=4 346 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [0,2,0,0,0,0|0,0,1]=3 347 B10R1.176 CC1=CC=C(C=C1C)C#N S454001 [0,2,0,0,0,0|2,0,0]=4 348 B10R1.176 CC1=CC=C(C=C1C)[Hg]Cl S881147 [0,2,0,0,0,0|2,0,0]=4 349 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [0,2,0,0,0,0|1,0,0]=3 350 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [0,2,0,0,0,0|1,0,0]=3 351 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [0,2,0,0,0,0|0,0,0]=2 352 B10R1.176 COC1=CC(=C(C=N1)N)C CDS017400 [0,2,0,0,0,0|2,0,0]=4 353 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [0,2,0,0,0,0|1,0,0]=3 354 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [0,2,0,0,0,0|1,0,0]=3 355 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [0,2,0,0,0,0|1,0,0]=3 356 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [0,2,0,0,0,0|1,0,0]=3 357 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [0,2,0,0,0,0|1,0,0]=3 358 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [0,2,0,0,0,0|0,1,0]=3 359 B10R1.176 CSC1=CC=C(C(=C1)Cl)Cl S696323 [0,2,0,0,0,0|1,1,0]=4 360 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [0,2,0,0,0,0|1,1,0]=4 361 B10R1.176 ClC1=CC(=CC=C1Br)CBr MNO000028 [0,2,0,0,0,0|2,0,0]=4 362 B10R1.176 FC1=C(C=C(C=C1)CBr)Cl CDS003168 [0,2,0,0,0,0|2,0,0]=4 363 B10R1.176 FC1=CC(=CC=C1Cl)CBr CDS019938 [0,2,0,0,0,0|2,0,0]=4 364 B10R1.176 FC1=CC=C(C=C1F)CS CDS003759 [0,2,0,0,0,0|1,1,0]=4 365 B10R1.176 N#CC1=CC(=C(C=C1)O)F CDS004642 [0,2,0,0,0,0|1,0,0]=3 366 B10R1.176 N#CC1=CC=C(C(=C1)F)Br CDS010530 [0,2,0,0,0,0|2,0,0]=4 367 B10R1.176 N#CC1=CC=C(C(=C1)O)F CDS022789 [0,2,0,0,0,0|2,0,0]=4 368 B10R1.176 NCC1=CC=C(C(=C1)Br)F CDS001554 [0,2,0,0,0,0|2,0,0]=4 369 B10R1.176 O=C1C=C(OC=C1O)CCl S217867 [0,2,0,0,0,0|2,0,0]=4 370 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [0,2,0,0,0,0|0,0,1]=3 371 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [0,2,0,0,0,0|0,0,1]=3 372 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [0,2,0,0,0,0|1,0,0]=3 373 B10R1.176 OCC1=CC(=C(C=N1)O)O CBR00377 [0,2,0,0,0,0|1,0,0]=3 374 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [0,2,0,0,0,0|1,0,0]=3 375 B10R1.176 OCC1=CC=C(C(=N1)Br)O ADE000154 [0,2,0,0,0,0|1,0,0]=3 376 B10R1.176 [C-]#[N+]C1=CC=C(C(=C1)C)C PH014891 [0,2,0,0,0,0|2,0,0]=4 377 B10R1.22 BrC1=CC(=C(C(=C1)Br)Br)Br S943029 [0,2,0,0,0,0|2,0,0]=4 378 B10R1.22 BrC1=CC(=C(C(=C1)Br)I)Br S547263 [0,2,0,0,0,0|2,0,0]=4 379 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)I R416231 [0,2,0,0,0,0|2,0,0]=4 380 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)O S443786 [0,2,0,0,0,0|1,0,0]=3 381 B10R1.22 CC1=C(C=C(C=C1Br)Cl)Br S943002 [0,2,0,0,0,0|2,0,0]=4 382 B10R1.22 CC1=C(C=C(C=C1Br)Cl)N CDS023787 [0,2,0,0,0,0|2,0,0]=4 383 B10R1.22 CC1=C(C=C(C=C1F)I)F CDS021213 [0,2,0,0,0,0|2,0,0]=4 384 B10R1.22 CC1=C(C=C(C=C1O)Br)Br S810576 [0,2,0,0,0,0|2,0,0]=4 385 B10R1.22 CC1=C(C=C(C=C1O)O)O S414913 [0,2,0,0,0,0|1,0,0]=3 386 B10R1.22 CC1=CC(=C(C(=C1)Br)I)Br S888508 [0,2,0,0,0,0|2,0,0]=4 387 B10R1.22 CC1=CC(=C(C(=C1)Br)N)C S294144 [0,2,0,0,0,0|2,0,0]=4 388 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CDS000400 [0,2,0,0,0,0|2,0,0]=4 389 B10R1.22 CC1=CC(=C(C(=C1)C)Cl)C PH010961 [0,2,0,0,0,0|2,0,0]=4 390 B10R1.22 CC1=CC(=C(C(=C1)C)I)C R258377 [0,2,0,0,0,0|2,0,0]=4 391 B10R1.22 CC1=CC(=C(C(=C1)Cl)O)Cl PH009955 [0,2,0,0,0,0|1,0,0]=3 392 B10R1.22 CC1=CC(=C(C(=C1)I)O)I S633119 [0,2,0,0,0,0|1,0,0]=3 393 B10R1.22 CC1=CC(=CC(=C1F)C)Br CDS003019 [0,2,0,0,0,0|2,0,0]=4 394 B10R1.22 CC1=CC(=CC(=C1N)C)Cl PH000327 [0,2,0,0,0,0|2,0,0]=4 395 B10R1.22 CC1=CC(=CC(=C1O)C)I S842702 [0,2,0,0,0,0|1,0,0]=3 396 B10R1.22 CC1=CC(=CC(=C1O)N)N S943975 [0,2,0,0,0,0|1,0,0]=3 397 B10R1.22 ClC1=CC(=C(C(=C1)Cl)Br)Cl S943061 [0,2,0,0,0,0|2,0,0]=4 398 B10R1.22 ClC1=CC(=C(C(=C1)Cl)Cl)Br S943037 [0,2,0,0,0,0|2,0,0]=4 399 B10R1.22 ClC1=CC(=CC(=C1Cl)Cl)Br S943045 [0,2,0,0,0,0|2,0,0]=4 400 B10R1.22 ClC1=CC(=CC(=C1I)Cl)Br S943053 [0,2,0,0,0,0|2,0,0]=4 401 B10R1.22 FC1=CC(=C(C(=C1)F)Br)Br R158321 [0,2,0,0,0,0|2,0,0]=4 402 B10R1.22 NC1=C(C(=CC(=C1)F)Br)O CDS021903 [0,2,0,0,0,0|1,0,0]=3 403 B10R1.22 NC1=C(C(=CC(=C1)F)F)N CDS010697 [0,2,0,0,0,0|2,0,0]=4 404 B10R1.22 NC1=C(C=C(C=C1Cl)Br)Br S676926 [0,2,0,0,0,0|2,0,0]=4 405 B10R1.22 NC1=CC(=C(C(=C1)Br)O)Cl CDS023792 [0,2,0,0,0,0|1,0,0]=3 406 B10R1.22 NC1=CC(=C(C(=C1)F)Br)F CDS000756 [0,2,0,0,0,0|2,0,0]=4 407 B10R1.22 NC1=CC(=C(C(=C1)I)I)I PH001971 [0,2,0,0,0,0|2,0,0]=4 408 B10R1.22 NC1=CC(=CC(=C1F)F)Br CDS024554 [0,2,0,0,0,0|2,0,0]=4 409 B10R1.22 NC1=CC(=CC(=C1S)Cl)Cl PH008417 [0,2,0,0,0,0|1,1,0]=4 410 B10R1.22 OC1=C(C=C(C=C1Cl)Br)Br S676977 [0,2,0,0,0,0|1,0,0]=3 411 B10R1.22 OC1=C(C=C(C=C1Cl)Cl)I S405183 [0,2,0,0,0,0|1,0,0]=3 412 B10R1.22 [O-]C1=C(C=C(C=C1Br)Br)Br S825875 [0,2,0,0,0,0|1,0,1]=4 413 B10R1.30 C#CC1=C(C=CC(=C1)C)N RNI00125 [0,2,0,0,0,0|2,0,0]=4 414 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [0,2,0,0,0,0|2,0,0]=4 415 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [0,2,0,0,0,0|2,0,0]=4 416 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [0,2,0,0,0,0|2,0,0]=4 417 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [0,2,0,0,0,0|2,0,0]=4 418 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [0,2,0,0,0,0|2,0,0]=4 419 B10R1.30 CC1=CC=C(C=C1CN)Cl CDS002947 [0,2,0,0,0,0|2,0,0]=4 420 B10R1.30 CC1=CC=C(C=C1NN)Cl S513245 [0,2,0,0,0,0|2,0,0]=4 421 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [0,2,0,0,0,0|1,0,0]=3 422 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [0,2,0,0,0,0|2,0,0]=4 423 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [0,2,0,0,0,0|1,0,0]=3 424 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [0,2,0,0,0,0|1,0,0]=3 425 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [0,2,0,0,0,0|1,0,0]=3 426 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [0,2,0,0,0,0|2,0,0]=4 427 B10R1.30 COC1=C(N=CC(=C1)O)I ADE000212 [0,2,0,0,0,0|2,0,0]=4 428 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [0,2,0,0,0,0|2,0,0]=4 429 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [0,2,0,0,0,0|2,0,0]=4 430 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [0,2,0,0,0,0|2,0,0]=4 431 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [0,2,0,0,0,0|1,0,0]=3 432 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [0,2,0,0,0,0|0,0,2]=4 433 B10R1.30 CSC1=CC(=CC=C1Cl)Cl S393142 [0,2,0,0,0,0|2,0,0]=4 434 B10R1.30 ClC1=CC(=C(C=C1)Br)CBr PH000507 [0,2,0,0,0,0|2,0,0]=4 435 B10R1.30 FC1=CC=C(C(=C1)CBr)Br CDS003096 [0,2,0,0,0,0|2,0,0]=4 436 B10R1.30 N#CC1=C(C=CC(=C1)N)O CBR02119 [0,2,0,0,0,0|1,0,0]=3 437 B10R1.30 N#CC1=CC(=CC=C1Br)Cl CDS003564 [0,2,0,0,0,0|2,0,0]=4 438 B10R1.30 N#CC1=CC(=CC=C1Cl)N CDS017173 [0,2,0,0,0,0|2,0,0]=4 439 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [0,2,0,0,0,0|2,0,0]=4 440 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [0,2,0,0,0,0|2,0,0]=4 441 B10R1.30 NCC1=CC(=CC=C1Cl)Br CDS023703 [0,2,0,0,0,0|2,0,0]=4 442 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [0,2,0,0,0,0|1,0,0]=3 443 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [0,2,0,0,0,0|2,0,0]=4 444 B10R1.30 OCC1=CC(=CC=C1Br)Cl CDS022960 [0,2,0,0,0,0|2,0,0]=4 445 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [0,2,0,0,0,0|1,0,0]=3 446 B10R1.118 CC1=C(C=C(C(=C1)Br)Br)Br MNO000001 [0,2,0,0,0,0|2,0,0]=4 447 B10R1.118 CC1=C(C=C(C(=C1)I)Br)I S881848 [0,2,0,0,0,0|2,0,0]=4 448 B10R1.118 CC1=C(C=C(C(=C1)N)Cl)N PH011350 [0,2,0,0,0,0|2,0,0]=4 449 B10R1.118 CC1=C(C=C(C(=C1)N)N)Br SYX00266 [0,2,0,0,0,0|2,0,0]=4 450 B10R1.118 CC1=C(C=C(C(=C1)N)N)Cl CDS019956 [0,2,0,0,0,0|2,0,0]=4 451 B10R1.118 CC1=C(C=C(C(=C1)N)O)C CBR01735 [0,2,0,0,0,0|1,0,0]=3 452 B10R1.118 CC1=C(N=C(C(=C1)O)Cl)I ADE000751 [0,2,0,0,0,0|2,0,0]=4 453 B10R1.118 CC1=CC(=C(C=C1Br)Br)C S945935 [0,2,0,0,0,0|2,0,0]=4 454 B10R1.118 CC1=CC(=C(C=C1Br)N)F CDS023542 [0,2,0,0,0,0|2,0,0]=4 455 B10R1.118 CC1=CC(=C(C=C1C)I)I S110043 [0,2,0,0,0,0|2,0,0]=4 456 B10R1.118 CC1=CC(=C(C=C1Cl)C)C S943592 [0,2,0,0,0,0|2,0,0]=4 457 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)C S314269 [0,2,0,0,0,0|2,0,0]=4 458 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)O PH011423 [0,2,0,0,0,0|1,0,0]=3 459 B10R1.118 CC1=CC(=C(C=C1I)C)I T304670 [0,2,0,0,0,0|2,0,0]=4 460 B10R1.118 CC1=CC(=C(C=C1N)C)Br CDS022557 [0,2,0,0,0,0|2,0,0]=4 461 B10R1.118 CC1=CC(=C(C=C1N)N)C R426733 [0,2,0,0,0,0|2,0,0]=4 462 B10R1.118 CC1=CC(=C(C=C1O)C)C PH017204 [0,2,0,0,0,0|1,0,0]=3 463 B10R1.118 CC1=CC(=C(C=C1O)C)S PH007453 [0,2,0,0,0,0|0,1,0]=3 464 B10R1.118 CC1=CC(=O)C(=CC1=O)Br R164224 [0,2,0,0,0,0|0,0,2]=4 465 B10R1.118 CC1=CC(=O)C(=CN1C)O CBR02163 [0,2,0,0,0,0|2,0,0]=4 466 B10R1.118 ClC1=CC(=C(C=C1Br)Cl)Cl S943118 [0,2,0,0,0,0|2,0,0]=4 467 B10R1.118 ClC1=CC(=C(C=C1I)Cl)I S109991 [0,2,0,0,0,0|2,0,0]=4 468 B10R1.118 ClC1=CC(=C(C=C1I)I)Cl S110892 [0,2,0,0,0,0|2,0,0]=4 469 B10R1.118 NC1=CC(=C(C=C1N)F)F CDS020059 [0,2,0,0,0,0|2,0,0]=4 470 B10R1.118 NC1=CC(=C(C=C1O)F)Br CDS023410 [0,2,0,0,0,0|1,0,0]=3 471 B10R1.118 O=C1C=C(C(=O)C=C1Br)Br S149403 [0,2,0,0,0,0|0,0,2]=4 472 B10R1.118 O=C1C=C(C(=O)C=C1Br)Br S944955 [0,2,0,0,0,0|0,0,2]=4 473 B10R1.118 OC1=C(C=C(C(=C1)Cl)Cl)O R166340 [0,2,0,0,0,0|1,0,0]=3 474 B10R1.118 OC1=C(C=C(C(=C1)Cl)F)Cl PH017696 [0,2,0,0,0,0|1,0,0]=3 475 B10R1.118 OC1=C(C=C(C(=C1)F)F)Cl PH017863 [0,2,0,0,0,0|1,0,0]=3 476 B10R1.118 OC1=CC(=C(N=C1Br)Br)I ADE000475 [0,2,0,0,0,0|2,0,0]=4 477 B10R1.118 OC1=CC(=C(N=C1Cl)I)Cl ADE000183 [0,2,0,0,0,0|2,0,0]=4 478 B10R1.118 OC1=CC(=C(N=C1I)I)Br ADE000430 [0,2,0,0,0,0|2,0,0]=4 479 B10R1.119 CC1=C(C(=C(C=C1)Cl)N)Cl PH011039 [0,2,0,0,0,0|2,0,0]=4 480 B10R1.119 CC1=C(C(=CC=C1Cl)N)Cl CBR00888 [0,2,0,0,0,0|2,0,0]=4 481 B10R1.119 CC1=C(C(=CC=C1F)O)Cl PH017188 [0,2,0,0,0,0|1,0,0]=3 482 B10R1.119 CC1=C(C(=CC=C1N)Br)C CDS022788 [0,2,0,0,0,0|2,0,0]=4 483 B10R1.119 CC1=C(C=CC(=C1Cl)O)Cl R426490 [0,2,0,0,0,0|1,0,0]=3 484 B10R1.119 CC1=CC=C(C(=C1C)Br)C T332577 [0,2,0,0,0,0|2,0,0]=4 485 B10R1.119 CC1=CC=C(C(=C1C)N)N R228389 [0,2,0,0,0,0|2,0,0]=4 486 B10R1.119 CC1=CC=C(C(=C1F)O)F CDS021693 [0,2,0,0,0,0|2,0,0]=4 487 B10R1.119 CC1=CC=C(C(=C1N)C)N R750859 [0,2,0,0,0,0|2,0,0]=4 488 B10R1.119 ClC1=CC=C(C(=C1Cl)Cl)I S111104 [0,2,0,0,0,0|2,0,0]=4 489 B10R1.119 ClC1=CC=C(C(=C1Cl)Cl)I S17877 [0,2,0,0,0,0|2,0,0]=4 490 B10R1.119 FC1=CC=C(C(=C1F)Br)F CDS001196 [0,2,0,0,0,0|2,0,0]=4 491 B10R1.119 NC1=CC=C(C(=C1F)F)Br CDS022896 [0,2,0,0,0,0|2,0,0]=4 492 B10R1.119 OC1=C(C(=CC=C1F)Cl)F CDS002898 [0,2,0,0,0,0|2,0,0]=4 493 B10R1.119 OC1=CC=C(C(=C1Cl)F)F PH017343 [0,2,0,0,0,0|1,0,0]=3 494 B8R1.22 O=C1C=CC=CC=C1 T166987 [0,0,1,1,0,0|1,0,1]=4 495 B10R2.335 O=C1C=CC2(C=C1)CO2 T273554 [0,1,0,1,0,0|0,0,2]=4 496 B6R1.2 BrC1=CC=CO1 CDS020809 [1,0,0,0,1,0|2,0,0]=4 497 B6R1.2 CC1=COC=C1 CDS019631 [1,0,0,0,1,0|2,0,0]=4 498 B6R1.2 NC1=CSC=C1 PHB00043 [1,0,0,0,1,0|2,0,0]=4 499 B6R1.2 NN1C=CC=C1 CDS000078 [1,0,0,0,1,0|2,0,0]=4 500 B6R1.2 OC1=NSC=C1 CDS008627 [1,0,0,0,1,0|2,0,0]=4