0 B5R1.1 C1=CCNC1 ANV00248 [0,0,0,0,0,0|0,0,2]=2 1 B5R1.1 C1=NNCC1 CDS000117 [0,0,0,0,0,0|1,0,2]=3 2 B6R1.2 BrC1=CC=CO1 CDS020809 [0,1,0,0,0,0|1,0,0]=2 3 B6R1.2 BrC1=NOC=C1 CDS005417 [0,1,0,0,0,0|1,0,1]=3 4 B6R1.2 CC1=CC=NN1 CDS002430 [0,1,0,0,0,0|1,0,0]=2 5 B6R1.2 CC1=COC=C1 CDS019631 [0,1,0,0,0,0|1,0,0]=2 6 B6R1.2 CC1=NC=CS1 CDS000301 [0,1,0,0,0,0|1,0,1]=3 7 B6R1.2 CC1=NNC=N1 CDS020176 [0,1,0,0,0,0|2,0,0]=3 8 B6R1.2 ClC1=CNN=C1 CDS019988 [0,1,0,0,0,0|1,0,0]=2 9 B6R1.2 ClC1=NN=CS1 CBR01805 [0,1,0,0,0,0|2,0,1]=4 10 B6R1.2 IC1=NNC=C1 BML00254 [0,1,0,0,0,0|1,0,0]=2 11 B6R1.2 N1C=CN=C1N CDS020502 [0,1,0,0,0,0|1,0,0]=2 12 B6R1.2 NC1=CN=CS1 CDS008189 [0,1,0,0,0,0|1,0,1]=3 13 B6R1.2 NC1=CSC=C1 PHB00043 [0,1,0,0,0,0|1,0,0]=2 14 B6R1.2 NC1=NC=CS1 R646520 [0,1,0,0,0,0|1,0,1]=3 15 B6R1.2 NC1=NN=CN1 CDS019982 [0,1,0,0,0,0|2,0,0]=3 16 B6R1.2 NN1C=CC=C1 CDS000078 [0,1,0,0,0,0|0,0,0]=1 17 B6R1.2 O=C1CC=CC1 CDS003851 [0,1,0,0,0,0|1,0,1]=3 18 B6R1.2 O=C1NC=CN1 CBR02030 [0,1,0,0,0,0|1,0,0]=2 19 B6R1.2 O=C1NCCS1 CDS011623 [0,1,0,0,0,0|1,0,2]=4 20 B6R1.2 OC1=NN=CS1 CBR01616 [0,1,0,0,0,0|2,0,1]=4 21 B6R1.2 OC1=NSC=C1 CDS008627 [0,1,0,0,0,0|1,0,1]=3 22 B6R1.2 S=C1NC=CS1 PH000321 [0,1,0,0,0,0|1,0,0]=2 23 B4R0.2 C=CCCN CDS021978 [0,0,1,0,0,0|0,0,2]=3 24 B4R0.2 OC/C=C/Br S880973 [0,0,1,0,0,0|2,0,1]=4 25 B6R1.1 C1=CC=CC=C1 S458074 [0,0,0,0,0,1|1,0,0]=2 26 B6R1.1 C1=CC=NC=C1 S503533 [0,0,0,0,0,1|0,0,1]=2 27 B3R0.1 C=CCN CDS000416 [1,0,1,0,0,0|0,0,1]=3 28 B3R0.1 C=C[Hg]Cl S881899 [1,0,1,0,0,0|2,0,0]=4 29 B5R0.1 C=COC(=O)C S458201 [0,1,1,0,0,0|1,0,1]=4 30 B5R0.1 CC(=O)/C=C\N S312274 [0,1,1,0,0,0|0,0,1]=3 31 B5R0.1 O=C(O)/C=C/Cl R426903 [0,1,1,0,0,0|2,0,0]=4 32 B5R0.1 O=C(O)/C=C\I PH010791 [0,1,1,0,0,0|2,0,0]=4 33 B5R0.1 O=C([O-])/C=C\Cl T234753 [0,1,1,0,0,0|2,0,0]=4 34 B5R0.2 C(=O)CCC=C CDS000721 [0,1,1,0,0,0|1,0,1]=4 35 B5R0.2 C=CCNCC PH014544 [0,1,1,0,0,0|0,0,2]=4 36 B7R1.3 BrC1=CC=CN=N1 CDS023312 [0,1,0,0,0,1|0,0,1]=3 37 B7R1.3 BrC1=CN=CC=N1 CDS005022 [0,1,0,0,0,1|0,0,1]=3 38 B7R1.3 BrC1=CN=NC=C1 CDS022809 [0,1,0,0,0,1|0,0,1]=3 39 B7R1.3 CC1=CC=NC=C1 T256412 [0,1,0,0,0,1|0,0,1]=3 40 B7R1.3 CC1=CC=NC=C1 T330418 [0,1,0,0,0,1|0,0,1]=3 41 B7R1.3 CC1=CCCNC1 PHB00292 [0,1,0,0,0,1|0,0,2]=4 42 B7R1.3 CC1=CCNCC1 CBR01822 [0,1,0,0,0,1|0,0,2]=4 43 B7R1.3 NC1=CC=CC=C1 S698326 [0,1,0,0,0,1|1,0,0]=3 44 B7R1.3 NC1=CC=CC=N1 S822329 [0,1,0,0,0,1|0,0,1]=3 45 B7R1.3 NC1=CC=NN=C1 CDS006078 [0,1,0,0,0,1|0,0,1]=3 46 B7R1.3 O=C1C=CC=CN1 T160121 [0,1,0,0,0,1|0,0,0]=2 47 B7R1.3 O=C1C=CNC=C1 T161470 [0,1,0,0,0,1|0,0,0]=2 48 B7R1.3 O=C1C=CSC=C1 T162035 [0,1,0,0,0,1|1,0,0]=3 49 B7R1.3 O=C1CSC=CN1 OTV000696 [0,1,0,0,0,1|0,0,1]=3 50 B7R1.3 OC1=CC=NC=C1 CDS013613 [0,1,0,0,0,1|0,0,1]=3 51 B7R1.3 S=C1C=CSC=C1 S874310 [0,1,0,0,0,1|1,0,0]=3 52 B7R1.3 SC1=NC=CC=N1 S565652 [0,1,0,0,0,1|0,0,1]=3 53 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [0,1,0,0,0,1|1,0,0]=3 54 B7R1.3 [O-]C1=CN=CC=N1 S451452 [0,1,0,0,0,1|0,0,1]=3 55 B7R1.3 [S-]C1=CC=CC=C1 S578991 [0,1,0,0,0,1|1,0,0]=3 56 B7R1.1 BrCC1=CSC=C1 CDS022029 [0,2,0,0,0,0|1,0,0]=3 57 B7R1.1 C#CC1=CC=CS1 CDS010938 [0,2,0,0,0,0|1,0,0]=3 58 B7R1.1 C#CC1=CC=NN1 CDS015894 [0,2,0,0,0,0|1,0,0]=3 59 B7R1.1 CCC1=CNN=C1 CBR01738 [0,2,0,0,0,0|1,0,0]=3 60 B7R1.1 CSC1=CC=CS1 R436550 [0,2,0,0,0,0|1,0,0]=3 61 B7R1.1 ClCC1=CN=CS1 CBR02473 [0,2,0,0,0,0|1,0,1]=4 62 B7R1.1 ClCC1=CNC=N1 CBR00821 [0,2,0,0,0,0|1,0,0]=3 63 B7R1.1 ClCC1=CSC=N1 SYX00282 [0,2,0,0,0,0|1,0,1]=4 64 B7R1.1 ClCC1=NC=CS1 CBR01833 [0,2,0,0,0,0|1,0,1]=4 65 B7R1.1 Cl[Hg]C1=CC=CO1 S813176 [0,2,0,0,0,0|1,0,0]=3 66 B7R1.1 Cl[Hg]C1=CC=CS1 S815802 [0,2,0,0,0,0|1,0,0]=3 67 B7R1.1 Cl[Hg]C1=COC=C1 S814148 [0,2,0,0,0,0|1,0,0]=3 68 B7R1.1 N#CC1=CN=CN1 CDS006565 [0,2,0,0,0,0|1,0,0]=3 69 B7R1.1 N#CC1=NN=CN1 CDS011874 [0,2,0,0,0,0|2,0,0]=4 70 B7R1.1 N#CN1C=CN=C1 CDS017338 [0,2,0,0,0,0|1,0,0]=3 71 B7R1.1 NCC1=CN=CS1 CDS007657 [0,2,0,0,0,0|1,0,1]=4 72 B7R1.1 NCC1=COC=C1 CDS008929 [0,2,0,0,0,0|1,0,0]=3 73 B7R1.1 NCC1=NC=CS1 CDS023086 [0,2,0,0,0,0|1,0,1]=4 74 B7R1.1 NCC1=NC=CS1 PHB00196 [0,2,0,0,0,0|1,0,1]=4 75 B7R1.1 O=CC1=CC=NN1 CDS003145 [0,2,0,0,0,0|1,0,0]=3 76 B7R1.1 O=CC1=CNN=N1 CDS009687 [0,2,0,0,0,0|2,0,0]=4 77 B7R1.1 O=CC1=NNC=C1 CDS009918 [0,2,0,0,0,0|1,0,0]=3 78 B7R1.1 O=CC1=NOC=C1 CDS009683 [0,2,0,0,0,0|1,0,1]=4 79 B7R1.1 OCC1=CC=CN1 CDS009556 [0,2,0,0,0,0|0,0,0]=2 80 B7R1.1 OCC1=CN=CS1 CDS004659 [0,2,0,0,0,0|1,0,1]=4 81 B7R1.1 OCC1=CNN=C1 CDS015812 [0,2,0,0,0,0|1,0,0]=3 82 B7R1.1 OCC1=NOC=C1 PHB00207 [0,2,0,0,0,0|1,0,1]=4 83 B7R1.1 SCC1=CC=CS1 CDS000069 [0,2,0,0,0,0|1,0,0]=3 84 B7R1.2 BrC1=CC=C(O1)Br CDS000239 [0,2,0,0,0,0|1,0,0]=3 85 B7R1.2 BrC1=COC(=C1)Br T266507 [0,2,0,0,0,0|1,0,0]=3 86 B7R1.2 BrC1=NNC(=N1)Br CDS002983 [0,2,0,0,0,0|2,0,0]=4 87 B7R1.2 CC1=CSC(=N1)Br CDS007616 [0,2,0,0,0,0|1,0,1]=4 88 B7R1.2 CC1=CSC(=N1)N S366536 [0,2,0,0,0,0|1,0,1]=4 89 B7R1.2 CC1=NC=C(N1)I ANV00066 [0,2,0,0,0,0|1,0,0]=3 90 B7R1.2 CC1=NN=C(N1)N CDS003576 [0,2,0,0,0,0|2,0,0]=4 91 B7R1.2 CC1=NNC(=C1)N CDS004036 [0,2,0,0,0,0|1,0,0]=3 92 B7R1.2 CC1=NNC(=N1)N CDS020216 [0,2,0,0,0,0|2,0,0]=4 93 B7R1.2 CN1C=C(C=N1)N CDS019978 [0,2,0,0,0,0|1,0,0]=3 94 B7R1.2 CN1C=CC(=N1)Br SYX00074 [0,2,0,0,0,0|1,0,0]=3 95 B7R1.2 CN1C=CC(=N1)N CDS013782 [0,2,0,0,0,0|1,0,0]=3 96 B7R1.2 CN1C=NC(=N1)Br CBR01814 [0,2,0,0,0,0|2,0,0]=4 97 B7R1.2 CN1C=NC(=N1)Cl CBR02195 [0,2,0,0,0,0|2,0,0]=4 98 B7R1.2 CN1C=NC(=N1)N CBR00751 [0,2,0,0,0,0|2,0,0]=4 99 B7R1.2 ClC1=CSC(=N1)Cl KOB0068 [0,2,0,0,0,0|1,0,1]=4 100 B7R1.2 ClC1=NC(=CS1)Br SYX00210 [0,2,0,0,0,0|1,0,1]=4 101 B7R1.2 ClC1=NC=C(S1)Br SYX00075 [0,2,0,0,0,0|1,0,1]=4 102 B7R1.2 ClC1=NNC(=N1)Br CBR01726 [0,2,0,0,0,0|2,0,0]=4 103 B7R1.2 N=C1NC(=S)SS1 S64662 [0,2,0,0,0,0|2,0,0]=4 104 B7R1.2 NC1=CC(=NO1)N CBR01619 [0,2,0,0,0,0|1,0,1]=4 105 B7R1.2 NC1=CC(=O)N=N1 S561037 [0,2,0,0,0,0|1,0,1]=4 106 B7R1.2 NC1=NC=C(S1)Cl CDS021716 [0,2,0,0,0,0|1,0,1]=4 107 B7R1.2 O=C1C=C(CC1)Cl PH014653 [0,2,0,0,0,0|1,0,1]=4 108 B7R1.2 O=C1C=C(CO1)Br SYX00384 [0,2,0,0,0,0|1,0,1]=4 109 B7R1.2 O=C1C=CC(=O)O1 S453374 [0,2,0,0,0,0|1,0,0]=3 110 B7R1.2 OC1=NN=C(N1)S CDS012623 [0,2,0,0,0,0|2,0,0]=4 111 B7R1.4 BrC1=C(NC=N1)Br S802263 [0,2,0,0,0,0|1,0,0]=3 112 B7R1.4 BrC1=NNC=C1I PHB00279 [0,2,0,0,0,0|1,0,0]=3 113 B7R1.4 CC1=C(C=NN1)N CBR02396 [0,2,0,0,0,0|1,0,0]=3 114 B7R1.4 CC1=C(C=NO1)I CDS015521 [0,2,0,0,0,0|1,0,1]=4 115 B7R1.4 CC1=C(N=CN1)Br CDS022318 [0,2,0,0,0,0|1,0,0]=3 116 B7R1.4 CC1=NNC=C1I BML00217 [0,2,0,0,0,0|1,0,0]=3 117 B7R1.4 CN1C=CN=C1Cl CDS018561 [0,2,0,0,0,0|1,0,0]=3 118 B7R1.4 CN1C=CN=C1I ANV00120 [0,2,0,0,0,0|1,0,0]=3 119 B7R1.4 CN1C=CN=C1I CDS005078 [0,2,0,0,0,0|1,0,0]=3 120 B7R1.4 CN1C=CN=C1N CBR02443 [0,2,0,0,0,0|1,0,0]=3 121 B7R1.4 CN1C=CSC1=N S945749 [0,2,0,0,0,0|1,0,0]=3 122 B7R1.4 CN1N=CC=C1Br CBR02073 [0,2,0,0,0,0|1,0,0]=3 123 B7R1.4 CN1N=CN=C1Br CBR01745 [0,2,0,0,0,0|2,0,0]=4 124 B7R1.4 CN1N=CN=C1Cl CBR02194 [0,2,0,0,0,0|2,0,0]=4 125 B7R1.4 IC1=CSC=C1I R254975 [0,2,0,0,0,0|1,0,0]=3 126 B7R1.4 NC1=C(NN=C1)N CBR02117 [0,2,0,0,0,0|1,0,0]=3 127 B7R1.24 C1=CCCC=CC1 T178241 [0,0,0,0,0,2|1,0,0]=3