0 B6R1.2 BrC1=CC=CO1 CDS020809 [0,0,0,0,0,0|1,0,0]=1 1 B6R1.2 BrC1=NOC=C1 CDS005417 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 CC1=CC=NN1 CDS002430 [0,0,0,0,0,0|2,0,0]=2 3 B6R1.2 CC1=COC=C1 CDS019631 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 CC1=NC=CS1 CDS000301 [0,0,0,0,0,0|1,1,0]=2 5 B6R1.2 CC1=NNC=N1 CDS020176 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 ClC1=CNN=C1 CDS019988 [0,0,0,0,0,0|4,0,0]=4 7 B6R1.2 ClC1=NN=CS1 CBR01805 [0,0,0,0,0,0|3,1,0]=4 8 B6R1.2 IC1=NNC=C1 BML00254 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 N1C=CN=C1N CDS020502 [0,0,0,0,0,0|3,0,0]=3 10 B6R1.2 NC1=CN=CS1 CDS008189 [0,0,0,0,0,0|2,1,0]=3 11 B6R1.2 NC1=CSC=C1 PHB00043 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 NC1=NC=CS1 R646520 [0,0,0,0,0,0|2,1,0]=3 13 B6R1.2 NC1=NN=CN1 CDS019982 [0,0,0,0,0,0|4,0,0]=4 14 B6R1.2 NN1C=CC=C1 CDS000078 [0,0,0,0,0,0|3,0,0]=3 15 B6R1.2 O=C1CC=CC1 CDS003851 [0,0,0,0,0,0|2,0,1]=3 16 B6R1.2 O=C1NC=CN1 CBR02030 [0,0,0,0,0,0|3,0,0]=3 17 B6R1.2 OC1=NN=CS1 CBR01616 [0,0,0,0,0,0|3,1,0]=4 18 B6R1.2 OC1=NSC=C1 CDS008627 [0,0,0,0,0,0|3,0,0]=3 19 B6R1.2 S=C1NC=CS1 PH000321 [0,0,0,0,0,0|2,1,0]=3 20 B5R1.1 C1=CCNC1 ANV00248 [1,0,0,0,0,0|1,0,2]=4 21 B7R1.1 BrCC1=CSC=C1 CDS022029 [0,1,0,0,0,0|2,0,0]=3 22 B7R1.1 C#CC1=CC=CS1 CDS010938 [0,1,0,0,0,0|0,1,1]=3 23 B7R1.1 C#CC1=CC=NN1 CDS015894 [0,1,0,0,0,0|2,0,1]=4 24 B7R1.1 CCC1=CNN=C1 CBR01738 [0,1,0,0,0,0|3,0,0]=4 25 B7R1.1 CCC1C=CCC1 S416223 [0,1,0,0,0,0|1,0,2]=4 26 B7R1.1 COC1C=CCC1 S702501 [0,1,0,0,0,0|1,0,2]=4 27 B7R1.1 CSC1=CC=CS1 R436550 [0,1,0,0,0,0|0,1,0]=2 28 B7R1.1 ClCC1=CN=CS1 CBR02473 [0,1,0,0,0,0|1,1,0]=3 29 B7R1.1 ClCC1=CNC=N1 CBR00821 [0,1,0,0,0,0|2,0,0]=3 30 B7R1.1 ClCC1=CSC=N1 SYX00282 [0,1,0,0,0,0|2,0,0]=3 31 B7R1.1 ClCC1=NC=CS1 CBR01833 [0,1,0,0,0,0|1,1,0]=3 32 B7R1.1 Cl[Hg]C1=CC=CO1 S813176 [0,1,0,0,0,0|1,0,0]=2 33 B7R1.1 Cl[Hg]C1=CC=CS1 S815802 [0,1,0,0,0,0|1,1,0]=3 34 B7R1.1 Cl[Hg]C1=COC=C1 S814148 [0,1,0,0,0,0|3,0,0]=4 35 B7R1.1 N#CC1=CN=CN1 CDS006565 [0,1,0,0,0,0|2,0,1]=4 36 B7R1.1 NCC1=CN=CS1 CDS007657 [0,1,0,0,0,0|1,1,0]=3 37 B7R1.1 NCC1=COC=C1 CDS008929 [0,1,0,0,0,0|2,0,0]=3 38 B7R1.1 NCC1=CSN=N1 CDS019170 [0,1,0,0,0,0|3,0,0]=4 39 B7R1.1 NCC1=NC=CS1 CDS023086 [0,1,0,0,0,0|1,1,0]=3 40 B7R1.1 NCC1=NC=CS1 PHB00196 [0,1,0,0,0,0|1,1,0]=3 41 B7R1.1 NCC1=NOC=N1 CDS019857 [0,1,0,0,0,0|3,0,0]=4 42 B7R1.1 O=CC1=CC=NN1 CDS003145 [0,1,0,0,0,0|2,0,1]=4 43 B7R1.1 O=CC1=NNC=C1 CDS009918 [0,1,0,0,0,0|2,0,1]=4 44 B7R1.1 O=CC1=NOC=C1 CDS009683 [0,1,0,0,0,0|2,0,1]=4 45 B7R1.1 OCC1=CC=CN1 CDS009556 [0,1,0,0,0,0|1,0,0]=2 46 B7R1.1 OCC1=CN=CS1 CDS004659 [0,1,0,0,0,0|1,1,0]=3 47 B7R1.1 OCC1=CNN=C1 CDS015812 [0,1,0,0,0,0|3,0,0]=4 48 B7R1.1 OCC1=NOC=C1 PHB00207 [0,1,0,0,0,0|2,0,0]=3 49 B7R1.1 SCC1=CC=CS1 CDS000069 [0,1,0,0,0,0|0,1,0]=2 50 B7R1.2 BrC1=CC=C(O1)Br CDS000239 [0,1,0,0,0,0|1,0,0]=2 51 B7R1.2 BrC1=COC(=C1)Br T266507 [0,1,0,0,0,0|1,0,0]=2 52 B7R1.2 CC1=CSC(=N1)Br CDS007616 [0,1,0,0,0,0|2,0,0]=3 53 B7R1.2 CC1=CSC(=N1)N S366536 [0,1,0,0,0,0|2,0,0]=3 54 B7R1.2 CC1=NC(=NO1)N CBR00048 [0,1,0,0,0,0|2,0,0]=3 55 B7R1.2 CC1=NC=C(N1)I ANV00066 [0,1,0,0,0,0|2,0,0]=3 56 B7R1.2 CC1=NN=C(N1)N CDS003576 [0,1,0,0,0,0|3,0,0]=4 57 B7R1.2 CC1=NN=C(O1)N PH010741 [0,1,0,0,0,0|2,0,0]=3 58 B7R1.2 CC1=NN=C(S1)Cl CBR01742 [0,1,0,0,0,0|2,1,0]=4 59 B7R1.2 CC1=NN=C(S1)O CBR01599 [0,1,0,0,0,0|2,1,0]=4 60 B7R1.2 CC1=NNC(=C1)N CDS004036 [0,1,0,0,0,0|2,0,0]=3 61 B7R1.2 CC1=NNC(=N1)N CDS020216 [0,1,0,0,0,0|3,0,0]=4 62 B7R1.2 CC1=NOC(=N1)C PH016136 [0,1,0,0,0,0|2,0,0]=3 63 B7R1.2 CC1=NSC(=N1)Cl BBO000670 [0,1,0,0,0,0|3,0,0]=4 64 B7R1.2 CC1OC(=O)CS1 PH007278 [0,1,0,0,0,0|1,0,2]=4 65 B7R1.2 CN1C=C(C=N1)N CDS019978 [0,1,0,0,0,0|2,0,0]=3 66 B7R1.2 CN1C=CC(=N1)Br SYX00074 [0,1,0,0,0,0|2,0,0]=3 67 B7R1.2 CN1C=CC(=N1)N CDS013782 [0,1,0,0,0,0|2,0,0]=3 68 B7R1.2 CN1C=NC(=N1)Br CBR01814 [0,1,0,0,0,0|3,0,0]=4 69 B7R1.2 CN1C=NC(=N1)Cl CBR02195 [0,1,0,0,0,0|3,0,0]=4 70 B7R1.2 CN1C=NC(=N1)N CBR00751 [0,1,0,0,0,0|3,0,0]=4 71 B7R1.2 ClC1=CSC(=N1)Cl KOB0068 [0,1,0,0,0,0|2,1,0]=4 72 B7R1.2 ClC1=NC(=CS1)Br SYX00210 [0,1,0,0,0,0|2,1,0]=4 73 B7R1.2 ClC1=NC=C(S1)Br SYX00075 [0,1,0,0,0,0|2,1,0]=4 74 B7R1.2 NC1=CC(=NO1)N CBR01619 [0,1,0,0,0,0|2,0,0]=3 75 B7R1.2 NC1=CC(=O)N=N1 S561037 [0,1,0,0,0,0|3,0,0]=4 76 B7R1.2 NC1=NC=C(S1)Cl CDS021716 [0,1,0,0,0,0|2,1,0]=4 77 B7R1.2 O=C1C=C(CC1)Cl PH014653 [0,1,0,0,0,0|2,0,1]=4 78 B7R1.2 O=C1C=C(CO1)Br SYX00384 [0,1,0,0,0,0|1,0,1]=3 79 B7R1.2 O=C1C=CC(=O)O1 S453374 [0,1,0,0,0,0|1,0,0]=2 80 B7R1.4 BrC1=C(NC=N1)Br S802263 [0,1,0,0,0,0|3,0,0]=4 81 B7R1.4 BrC1=NNC=C1I PHB00279 [0,1,0,0,0,0|3,0,0]=4 82 B7R1.4 CC1=C(C=NN1)N CBR02396 [0,1,0,0,0,0|2,0,0]=3 83 B7R1.4 CC1=C(C=NO1)I CDS015521 [0,1,0,0,0,0|1,0,0]=2 84 B7R1.4 CC1=C(CCC1)Br T256854 [0,1,0,0,0,0|1,0,2]=4 85 B7R1.4 CC1=C(N=CN1)Br CDS022318 [0,1,0,0,0,0|2,0,0]=3 86 B7R1.4 CC1=CCCC1O T295310 [0,1,0,0,0,0|1,0,2]=4 87 B7R1.4 CC1=NNC=C1I BML00217 [0,1,0,0,0,0|2,0,0]=3 88 B7R1.4 CN1C=CN=C1Cl CDS018561 [0,1,0,0,0,0|3,0,0]=4 89 B7R1.4 CN1C=CN=C1I ANV00120 [0,1,0,0,0,0|3,0,0]=4 90 B7R1.4 CN1C=CN=C1I CDS005078 [0,1,0,0,0,0|3,0,0]=4 91 B7R1.4 CN1C=CN=C1N CBR02443 [0,1,0,0,0,0|3,0,0]=4 92 B7R1.4 CN1C=CSC1=N S945749 [0,1,0,0,0,0|2,1,0]=4 93 B7R1.4 CN1N=CC=C1Br CBR02073 [0,1,0,0,0,0|2,0,0]=3 94 B7R1.4 CN1N=CN=C1Br CBR01745 [0,1,0,0,0,0|3,0,0]=4 95 B7R1.4 CN1N=CN=C1Cl CBR02194 [0,1,0,0,0,0|3,0,0]=4 96 B7R1.4 IC1=CSC=C1I R254975 [0,1,0,0,0,0|3,0,0]=4 97 B7R1.4 NC1=C(NN=C1)N CBR02117 [0,1,0,0,0,0|3,0,0]=4 98 B5R0.1 C(=O)CC(C)O CDS019977 [0,0,1,0,0,0|1,0,2]=4 99 B5R0.1 C=C(C)CSC S866024 [0,0,1,0,0,0|2,0,1]=4 100 B5R0.1 C=COC(=O)C S458201 [0,0,1,0,0,0|1,0,0]=2 101 B5R0.1 CC(=O)/C=C\N S312274 [0,0,1,0,0,0|1,0,1]=3 102 B5R0.1 O=C(O)/C=C/Cl R426903 [0,0,1,0,0,0|2,0,0]=3 103 B5R0.1 O=C(O)/C=C\I PH010791 [0,0,1,0,0,0|2,0,0]=3 104 B5R0.1 O=C([O-])/C=C\Cl T234753 [0,0,1,0,0,0|2,0,1]=4 105 B5R0.2 C(=O)CCC=C CDS000721 [0,0,1,0,0,0|2,0,1]=4 106 B5R0.2 C=CCNCC PH014544 [0,0,1,0,0,0|1,0,2]=4 107 B5R0.2 C=CCSCC S620327 [0,0,1,0,0,0|0,1,2]=4 108 B5R0.2 CCC/C=N/O S429139 [0,0,1,0,0,0|1,0,2]=4 109 B5R0.2 OC/C=C/CO PH000110 [0,0,1,0,0,0|1,0,2]=4 110 B5R0.3 C/C(=C\Br)/CO S881295 [0,0,1,0,0,0|3,0,0]=4 111 B5R0.3 C=CC(C)C#N PH011344 [0,0,1,0,0,0|2,0,1]=4 112 B7R1.3 BrC1=CC=CN=N1 CDS023312 [0,0,0,0,0,1|2,0,0]=3 113 B7R1.3 BrC1=CN=CC=N1 CDS005022 [0,0,0,0,0,1|2,0,0]=3 114 B7R1.3 BrC1=CN=NC=C1 CDS022809 [0,0,0,0,0,1|3,0,0]=4 115 B7R1.3 CC1=CC=NC=C1 T256412 [0,0,0,0,0,1|1,0,0]=2 116 B7R1.3 CC1=CC=NC=C1 T330418 [0,0,0,0,0,1|1,0,0]=2 117 B7R1.3 CC1=CCCNC1 PHB00292 [0,0,0,0,0,1|1,0,2]=4 118 B7R1.3 CC1=CCNCC1 CBR01822 [0,0,0,0,0,1|1,0,2]=4 119 B7R1.3 NC1=CC=CC=C1 S698326 [0,0,0,0,0,1|2,0,0]=3 120 B7R1.3 NC1=CC=CC=N1 S822329 [0,0,0,0,0,1|2,0,0]=3 121 B7R1.3 NC1=CC=NN=C1 CDS006078 [0,0,0,0,0,1|3,0,0]=4 122 B7R1.3 O=C1C=CC=CN1 T160121 [0,0,0,0,0,1|2,0,0]=3 123 B7R1.3 O=C1C=CNC=C1 T161470 [0,0,0,0,0,1|2,0,0]=3 124 B7R1.3 O=C1C=CSC=C1 T162035 [0,0,0,0,0,1|2,0,0]=3 125 B7R1.3 O=C1CSC=CN1 OTV000696 [0,0,0,0,0,1|2,0,1]=4 126 B7R1.3 OC1=CC=NC=C1 CDS013613 [0,0,0,0,0,1|2,0,0]=3 127 B7R1.3 S=C1C=CSC=C1 S874310 [0,0,0,0,0,1|2,0,0]=3 128 B7R1.3 SC1=NC=CC=N1 S565652 [0,0,0,0,0,1|2,0,0]=3 129 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [0,0,0,0,0,1|2,0,0]=3 130 B7R1.3 [O-]C1=CN=CC=N1 S451452 [0,0,0,0,0,1|2,0,0]=3 131 B7R1.3 [S-]C1=CC=CC=C1 S578991 [0,0,0,0,0,1|2,0,0]=3 132 B4R0.1 C=C(C)CN CDS003053 [1,0,1,0,0,0|1,0,1]=4 133 B4R0.2 OC/C=C/Br S880973 [1,0,1,0,0,0|1,0,1]=4 134 B6R0.1 CC/C=C(\C)/CO S888702 [0,1,1,0,0,0|0,0,2]=4 135 B6R0.1 COC(=O)/C=C\I SYX00331 [0,1,1,0,0,0|1,0,1]=4 136 B6R0.2 O=C(O)C=C(Cl)Cl T295175 [0,1,1,0,0,0|2,0,0]=4 137 B6R0.3 C/C(=C\Br)/C(=O)O S877522 [0,1,1,0,0,0|2,0,0]=4 138 B6R0.3 C/C=C(/Br)\C(=O)O S864633 [0,1,1,0,0,0|1,0,1]=4 139 B6R0.3 CC(=O)/C(=C/Cl)/Cl PH011277 [0,1,1,0,0,0|1,0,1]=4 140 B6R0.3 CC(=O)/C(=C/[O-])/C S808946 [0,1,1,0,0,0|1,0,1]=4 141 B6R0.4 C=CCNC(=O)C EME00415 [0,1,1,0,0,0|0,0,2]=4 142 B6R0.4 C=CCOC(=S)N PH008714 [0,1,1,0,0,0|2,0,0]=4 143 B6R0.4 C=COCC(=C)C T284386 [0,1,1,0,0,0|0,0,0]=2 144 B6R0.5 C=CCC(C)(C)O S437506 [0,1,1,0,0,0|0,0,2]=4 145 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [0,1,0,0,0,1|2,0,0]=4 146 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [0,1,0,0,0,1|1,0,1]=4 147 B8R1.2 C1(C=CCC=C1)CO T175528 [0,1,0,0,0,1|1,0,1]=4 148 B8R1.2 C=CC1=CC=CC=C1 S460680 [0,1,0,0,0,1|1,0,1]=4 149 B8R1.2 C=CC1=CC=CC=C1 S461830 [0,1,0,0,0,1|1,0,1]=4 150 B8R1.2 C=CC1=CC=CC=C1 S462152 [0,1,0,0,0,1|1,0,1]=4 151 B8R1.2 COC1=NC=CC=N1 CDS005079 [0,1,0,0,0,1|1,0,0]=3 152 B8R1.2 CSC1=NC=CC=N1 SYX00290 [0,1,0,0,0,1|1,0,0]=3 153 B8R1.2 CSC1=NC=CN=N1 SYX00362 [0,1,0,0,0,1|2,0,0]=4 154 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [0,1,0,0,0,1|2,0,0]=4 155 B8R1.2 NCC1=CC=CC=C1 S696684 [0,1,0,0,0,1|1,0,0]=3 156 B8R1.2 NCC1=CN=CC=C1 S763780 [0,1,0,0,0,1|1,0,0]=3 157 B8R1.2 NCC1=CN=CC=N1 CDS009594 [0,1,0,0,0,1|1,0,0]=3 158 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [0,1,0,0,0,1|1,0,1]=4 159 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [0,1,0,0,0,1|2,0,0]=4 160 B8R1.2 OCC1=CC=CN=N1 CDS015970 [0,1,0,0,0,1|1,0,0]=3 161 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [0,1,0,0,0,1|2,0,0]=4 162 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [0,1,0,0,0,1|2,0,0]=4 163 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [0,1,0,0,0,1|2,0,0]=4 164 B8R1.3 CC1=CNC(=O)C=C1 T162647 [0,1,0,0,0,1|1,0,0]=3 165 B8R1.3 CC1=NC=C(C=N1)Br CDS022509 [0,1,0,0,0,1|1,0,0]=3 166 B8R1.3 CC1=NN=C(C=C1)N CDS005355 [0,1,0,0,0,1|1,0,0]=3 167 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [0,1,0,0,0,1|1,0,0]=3 168 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [0,1,0,0,0,1|2,0,0]=4 169 B8R1.3 ClC1=CC=C(N=N1)I KOB0085 [0,1,0,0,0,1|2,0,0]=4 170 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [0,1,0,0,0,1|2,0,0]=4 171 B8R1.3 ClC1=CN=C(N=C1)I SYX00017 [0,1,0,0,0,1|2,0,0]=4 172 B8R1.3 ClC1=NC=C(C=N1)I SYX00335 [0,1,0,0,0,1|2,0,0]=4 173 B8R1.3 FC1=NC=C(C=N1)Br CDS004432 [0,1,0,0,0,1|2,0,0]=4 174 B8R1.3 FC1=NC=C(C=N1)Br SYX00292 [0,1,0,0,0,1|2,0,0]=4 175 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [0,1,0,0,0,1|2,0,0]=4 176 B8R1.3 NC1=CC=C(C=C1)F S414190 [0,1,0,0,0,1|2,0,0]=4 177 B8R1.3 NC1=CC=C(C=C1)N S706698 [0,1,0,0,0,1|2,0,0]=4 178 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [0,1,0,0,0,1|2,0,0]=4 179 B8R1.3 NC1=CN=C(C=N1)Cl CDS005437 [0,1,0,0,0,1|2,0,0]=4 180 B8R1.3 NC1=CN=C(N=C1)Cl CDS009800 [0,1,0,0,0,1|2,0,0]=4 181 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [0,1,0,0,0,1|2,0,0]=4 182 B8R1.3 OC1=CC=C(N=N1)Cl CVT00040 [0,1,0,0,0,1|2,0,0]=4 183 B8R1.3 OC1=CC=C(N=N1)Cl SYX00271 [0,1,0,0,0,1|2,0,0]=4 184 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [0,1,0,0,0,1|2,0,0]=4 185 B8R1.4 BrC1=CC(=NC=N1)Br BCH00053 [0,1,0,0,0,1|2,0,0]=4 186 B8R1.4 CC1=CC(=O)NC=C1 T162655 [0,1,0,0,0,1|1,0,0]=3 187 B8R1.4 CC1=CC=CC(=C1)N R647047 [0,1,0,0,0,1|1,0,0]=3 188 B8R1.4 CC1=CC=CC(=O)N1 S766364 [0,1,0,0,0,1|1,0,0]=3 189 B8R1.4 CC1=CC=NC(=O)C1 S681601 [0,1,0,0,0,1|1,0,0]=3 190 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,1,0,0,0,1|1,0,1]=4 191 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [0,1,0,0,0,1|1,0,0]=3 192 B8R1.4 CC1=NC(=CC=N1)Cl PHB00236 [0,1,0,0,0,1|1,0,0]=3 193 B8R1.4 CC1=NC(=CC=N1)N CDS014871 [0,1,0,0,0,1|1,0,0]=3 194 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [0,1,0,0,0,1|1,0,0]=3 195 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [0,1,0,0,0,1|1,0,0]=3 196 B8R1.4 CC1=NC=NC(=C1)S R901148 [0,1,0,0,0,1|1,0,0]=3 197 B8R1.4 ClC1=CC(=CN=C1)I ADE000367 [0,1,0,0,0,1|2,0,0]=4 198 B8R1.4 ClC1=CN=CC(=N1)Br ANV00065 [0,1,0,0,0,1|2,0,0]=4 199 B8R1.4 ClC1=CN=NC(=C1)Cl MNO000179 [0,1,0,0,0,1|2,0,0]=4 200 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [0,1,0,0,0,1|2,0,0]=4 201 B8R1.4 FC1=CC(=NC=N1)F CDS002862 [0,1,0,0,0,1|2,0,0]=4 202 B8R1.4 FC1=CC=CC(=N1)Br CDS002875 [0,1,0,0,0,1|2,0,0]=4 203 B8R1.4 IC1=CC(=NC=N1)I SYX00025 [0,1,0,0,0,1|2,0,0]=4 204 B8R1.4 IC1=CN=CC(=N1)I SYX00011 [0,1,0,0,0,1|2,0,0]=4 205 B8R1.4 NC1=CC(=CN=C1)Cl ANV00078 [0,1,0,0,0,1|2,0,0]=4 206 B8R1.4 NC1=CC(=CN=C1)I ADE000379 [0,1,0,0,0,1|2,0,0]=4 207 B8R1.4 NC1=CC(=O)N=CN1 ANV00026 [0,1,0,0,0,1|2,0,0]=4 208 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [0,1,0,0,0,1|2,0,0]=4 209 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [0,1,0,0,0,1|2,0,0]=4 210 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [0,1,0,0,0,1|2,0,0]=4 211 B8R1.4 NC1=NC(=CC=C1)I ADE000340 [0,1,0,0,0,1|2,0,0]=4 212 B8R1.4 NC1=NC(=CN=C1)Cl CDS013619 [0,1,0,0,0,1|2,0,0]=4 213 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [0,1,0,0,0,1|2,0,0]=4 214 B8R1.4 O=C1C=C(C=NN1)Cl CDS021192 [0,1,0,0,0,1|2,0,0]=4 215 B8R1.4 O=C1C=C(C=NN1)I SYX00367 [0,1,0,0,0,1|2,0,0]=4 216 B8R1.4 OC1=CC=CC(=N1)O S458678 [0,1,0,0,0,1|2,0,0]=4 217 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [0,1,0,0,0,1|2,0,0]=4 218 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [0,1,0,0,0,1|2,0,0]=4 219 B8R1.4 OC1=NC(=CN=C1)Cl CBR01733 [0,1,0,0,0,1|2,0,0]=4 220 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [0,1,0,0,0,1|1,0,0]=3 221 B8R1.5 CC1=CC=NN=C1Cl PHB00234 [0,1,0,0,0,1|2,0,0]=4 222 B8R1.5 CC1=CN=CC=C1N CDS003217 [0,1,0,0,0,1|1,0,0]=3 223 B8R1.5 CC1=NC=CN=C1Cl CDS013629 [0,1,0,0,0,1|1,0,0]=3 224 B8R1.5 CC1=NC=CN=C1S PH014228 [0,1,0,0,0,1|1,0,0]=3 225 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [0,1,0,0,0,1|2,0,0]=4 226 B8R1.5 C[N+]1=CC=CN=C1N S142433 [0,1,0,0,0,1|2,0,0]=4 227 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [0,1,0,0,0,1|2,0,0]=4 228 B8R1.5 FC1=CC=CN=C1I ADE000285 [0,1,0,0,0,1|2,0,0]=4 229 B8R1.5 FC1=CN=CN=C1S S217271 [0,1,0,0,0,1|2,0,0]=4 230 B8R1.5 IC1=CC=CN=C1I ADE000256 [0,1,0,0,0,1|2,0,0]=4 231 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [0,1,0,0,0,1|2,0,0]=4 232 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [0,1,0,0,0,1|2,0,0]=4 233 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [0,1,0,0,0,1|2,0,0]=4 234 B8R1.5 NC1=C(C=NC=N1)Br CDS020752 [0,1,0,0,0,1|2,0,0]=4 235 B8R1.5 NC1=CC=CC=C1O S378569 [0,1,0,0,0,1|2,0,0]=4 236 B8R1.5 NC1=CC=CC=[N+]1[O-] CDS014426 [0,1,0,0,0,1|2,0,0]=4 237 B8R1.5 NC1=CC=CN=C1O CDS007860 [0,1,0,0,0,1|2,0,0]=4 238 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [0,1,0,0,0,1|2,0,0]=4 239 B8R1.5 O=C1C=CC=CN1[K] T160997 [0,1,0,0,0,1|2,0,0]=4 240 B8R1.5 O=C1NC=CC=C1Cl T161063 [0,1,0,0,0,1|2,0,0]=4 241 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [0,1,0,0,0,1|2,0,0]=4 242 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [0,1,0,0,0,1|2,0,0]=4 243 B8R1.5 OC1=CN=CC=C1Br CDS021897 [0,1,0,0,0,1|2,0,0]=4 244 B8R1.5 OC1=NC=CC=C1F CDS019950 [0,1,0,0,0,1|2,0,0]=4 245 B8R1.1 CC1=CC(=CS1)CO TMT00554 [0,2,0,0,0,0|0,1,0]=3 246 B8R1.1 CC1=CC(=NO1)CO L482684 [0,2,0,0,0,0|1,0,0]=3 247 B8R1.1 CC1=CN=C(O1)CN CDS008557 [0,2,0,0,0,0|1,0,0]=3 248 B8R1.1 CC1=CN=C(S1)C=O CDS011813 [0,2,0,0,0,0|1,1,0]=4 249 B8R1.1 CC1=CN=C(S1)CN CDS011809 [0,2,0,0,0,0|1,1,0]=4 250 B8R1.1 CC1=NC(=CO1)CO CBR02085 [0,2,0,0,0,0|1,0,0]=3 251 B8R1.1 CC1=NC(=CS1)CN CBR00687 [0,2,0,0,0,0|1,1,0]=4 252 B8R1.1 CC1=NC(=NO1)CBr CBR02188 [0,2,0,0,0,0|2,0,0]=4 253 B8R1.1 CC1=NC(=NO1)CN CBR01043 [0,2,0,0,0,0|2,0,0]=4 254 B8R1.1 CC1=NN=C(O1)CCl CDS022277 [0,2,0,0,0,0|2,0,0]=4 255 B8R1.1 CC1=NN=C(O1)CO CBR01937 [0,2,0,0,0,0|2,0,0]=4 256 B8R1.1 CC1=NNC(=C1)CN CBR01017 [0,2,0,0,0,0|2,0,0]=4 257 B8R1.1 CC1=NOC(=C1)C#N CBR00067 [0,2,0,0,0,0|1,0,1]=4 258 B8R1.1 CC1=NOC(=C1)C=O CDS014208 [0,2,0,0,0,0|1,0,1]=4 259 B8R1.1 CC1=NOC(=C1)CN CBR00041 [0,2,0,0,0,0|1,0,0]=3 260 B8R1.1 CC1=NOC(=N1)CCl CDS019758 [0,2,0,0,0,0|2,0,0]=4 261 B8R1.1 CC1=NOC(=N1)CN CDS010118 [0,2,0,0,0,0|2,0,0]=4 262 B8R1.1 CCC1=CSC(=N1)N CBR01525 [0,2,0,0,0,0|2,0,0]=4 263 B8R1.1 CCC1=CSC(=S)N1 PH006951 [0,2,0,0,0,0|2,0,0]=4 264 B8R1.1 CCC1=NNC(=C1)N CDS019625 [0,2,0,0,0,0|2,0,0]=4 265 B8R1.1 CCN1C=C(C=N1)Br CDS003673 [0,2,0,0,0,0|2,0,0]=4 266 B8R1.1 CN1C=C(C=N1)CCl CBR01696 [0,2,0,0,0,0|2,0,0]=4 267 B8R1.1 CN1C=CC(=C1)C#N CBR01777 [0,2,0,0,0,0|2,0,0]=4 268 B8R1.1 CN1C=NC(=C1)CN CDS017640 [0,2,0,0,0,0|2,0,0]=4 269 B8R1.1 CN1C=NC(=C1)CO CDS017610 [0,2,0,0,0,0|2,0,0]=4 270 B8R1.1 CNC1=NC=C(S1)Br CBR01741 [0,2,0,0,0,0|1,1,0]=4 271 B8R1.1 COC1=CN=C(S1)N CDS021689 [0,2,0,0,0,0|1,1,0]=4 272 B8R1.1 COC1=NC(=CS1)Br SYX00375 [0,2,0,0,0,0|1,1,0]=4 273 B8R1.1 COC1=NC=C(S1)Br SYX00323 [0,2,0,0,0,0|1,1,0]=4 274 B8R1.1 CSC1=NC(=CS1)Br SYX00338 [0,2,0,0,0,0|1,1,0]=4 275 B8R1.1 ClCC1=CSC(=N1)Cl SYX00330 [0,2,0,0,0,0|2,0,0]=4 276 B8R1.1 Cl[Hg]C1=CC=C(O1)Cl S814490 [0,2,0,0,0,0|1,0,0]=3 277 B8R1.1 N#CC1=CC(=CN1)Br CBR01780 [0,2,0,0,0,0|1,0,1]=4 278 B8R1.1 N#CC1=CC(=CS1)Br CDS003609 [0,2,0,0,0,0|0,1,1]=4 279 B8R1.1 NCC1=CC=C(S1)Br CDS007961 [0,2,0,0,0,0|0,1,0]=3 280 B8R1.1 NCC1=CC=C(S1)Cl CDS013426 [0,2,0,0,0,0|0,1,0]=3 281 B8R1.1 OCC1=CC(=CS1)Br CDS016046 [0,2,0,0,0,0|0,1,0]=3 282 B8R1.1 OCC1=CC=C(S1)F PHB00247 [0,2,0,0,0,0|0,1,0]=3 283 B8R1.1 OCC1=CN=C(S1)Br SYX00336 [0,2,0,0,0,0|1,1,0]=4 284 B8R1.1 OCC1=CN=C(S1)Cl CDS013997 [0,2,0,0,0,0|1,1,0]=4 285 B8R1.1 OCC1=CSC(=N1)Br SYX00394 [0,2,0,0,0,0|2,0,0]=4 286 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [0,2,0,0,0,0|2,0,0]=4 287 B8R1.7 CC(=O)C1=NC=CN1 CBR02095 [0,2,0,0,0,0|2,0,0]=4 288 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [0,2,0,0,0,0|0,1,0]=3 289 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [0,2,0,0,0,0|0,1,0]=3 290 B8R1.7 CC(N)C1=CCCO1 PH018924 [0,2,0,0,0,0|0,0,2]=4 291 B8R1.7 CC(N)C1=CSC=C1 CBR01452 [0,2,0,0,0,0|2,0,0]=4 292 B8R1.7 CC(N)C1=NOC=C1 CDS017372 [0,2,0,0,0,0|2,0,0]=4 293 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [0,2,0,0,0,0|0,0,1]=3 294 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [0,2,0,0,0,0|1,0,1]=4 295 B8R1.7 NC(=S)C1=CC=CN1 BOG00082 [0,2,0,0,0,0|1,0,1]=4 296 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [0,2,0,0,0,0|0,0,1]=3 297 B8R1.7 NC(=S)C1=CC=CS1 CDS014286 [0,2,0,0,0,0|0,1,1]=4 298 B8R1.7 O=C(O)C1=CC=CO1 S927228 [0,2,0,0,0,0|0,0,1]=3 299 B8R1.8 BrCCN1C=CC=N1 CDS002854 [0,2,0,0,0,0|2,0,0]=4 300 B8R1.8 CCCN1C=CC=C1 PH010280 [0,2,0,0,0,0|2,0,0]=4 301 B8R1.8 CNCC1=CC=CS1 CDS004831 [0,2,0,0,0,0|0,1,0]=3 302 B8R1.8 CNCC1=CC=CS1 PH012021 [0,2,0,0,0,0|0,1,0]=3 303 B8R1.8 CNCC1=CSC=C1 PH015792 [0,2,0,0,0,0|2,0,0]=4 304 B8R1.8 CNCC1=NC=CN1 CBR00689 [0,2,0,0,0,0|2,0,0]=4 305 B8R1.8 ClCCN1C=CC=N1 CDS015079 [0,2,0,0,0,0|2,0,0]=4 306 B8R1.8 N#CCC1=CC=CO1 JRD0290 [0,2,0,0,0,0|0,0,0]=2 307 B8R1.8 N#C[Hg]C1=CC=CO1 S815810 [0,2,0,0,0,0|0,0,1]=3 308 B8R1.8 NCCC1=CC=CO1 CBR02448 [0,2,0,0,0,0|0,0,0]=2 309 B8R1.8 NCCN1C=CC=N1 CDS008012 [0,2,0,0,0,0|2,0,0]=4 310 B8R1.8 NNCC1=CC=CS1 CBR01534 [0,2,0,0,0,0|0,1,0]=3 311 B8R1.8 OCCN1C=CC=C1 CDS000018 [0,2,0,0,0,0|2,0,0]=4 312 B8R1.8 OCCN1C=CC=N1 CDS004224 [0,2,0,0,0,0|2,0,0]=4 313 B8R1.8 ON=CC1=CC=CS1 S551848 [0,2,0,0,0,0|0,1,1]=4 314 B8R1.11 C(=O)C1=C(C=CN1)Cl T266418 [0,2,0,0,0,0|1,0,1]=4 315 B8R1.11 C=CN1C=CN=C1C S463205 [0,2,0,0,0,0|2,0,0]=4 316 B8R1.11 CC1=C(C=CO1)CN CDS019848 [0,2,0,0,0,0|0,0,0]=2 317 B8R1.11 CC1=C(NC=N1)CN CBR01683 [0,2,0,0,0,0|2,0,0]=4 318 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [0,2,0,0,0,0|0,0,1]=3 319 B8R1.11 CC1=C(SC=C1)CN CDS015230 [0,2,0,0,0,0|0,1,0]=3 320 B8R1.11 CN1C=CN=C1CN CDS002678 [0,2,0,0,0,0|2,0,0]=4 321 B8R1.11 CN1C=CN=C1CO CDS014909 [0,2,0,0,0,0|2,0,0]=4 322 B8R1.11 CN1N=CC=C1CBr CDS023901 [0,2,0,0,0,0|2,0,0]=4 323 B8R1.11 O=CC1=C(C=CO1)Br CDS004540 [0,2,0,0,0,0|0,0,1]=3 324 B8R1.11 O=CC1=C(SC=C1)Br CDS015492 [0,2,0,0,0,0|1,1,0]=4 325 B8R1.52 CC1(C=CC=C1)CO T236756 [0,2,0,0,0,0|1,0,1]=4 326 B8R1.18 BrC1=CC(=C(O1)Br)Br PH002979 [0,2,0,0,0,0|1,0,0]=3 327 B8R1.18 CC1=C(OC(=O)O1)C TMT00459 [0,2,0,0,0,0|1,0,0]=3 328 B8R1.18 CC1=C(SC(=N1)Br)Br SYX00151 [0,2,0,0,0,0|2,0,0]=4 329 B8R1.18 CC1=C(SC(=N1)N)Br SYX00305 [0,2,0,0,0,0|2,0,0]=4 330 B8R1.18 CC1=C(SC(=N1)N)C S139696 [0,2,0,0,0,0|1,1,0]=4 331 B8R1.18 CC1=C(SC(=N1)N)F CDS024376 [0,2,0,0,0,0|2,0,0]=4 332 B8R1.18 CC1=C(SC(=N1)S)C PH009931 [0,2,0,0,0,0|1,1,0]=4 333 B8R1.18 CC1=CC(=C(O1)C)S CDS013831 [0,2,0,0,0,0|0,0,0]=2 334 B8R1.18 CC1=CC(=O)C(O1)C CDS000654 [0,2,0,0,0,0|0,0,1]=3 335 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,2,0,0,0,0|2,0,0]=4 336 B8R1.18 CC1=NC(=C(S1)Br)C CDS020883 [0,2,0,0,0,0|1,1,0]=4 337 B8R1.18 CC1=NC(=CN1C)Br CDS007637 [0,2,0,0,0,0|2,0,0]=4 338 B8R1.18 CC1=NN(C(=C1)Br)C PHB00168 [0,2,0,0,0,0|2,0,0]=4 339 B8R1.18 CC1=NN(C(=C1)Cl)C R435937 [0,2,0,0,0,0|2,0,0]=4 340 B8R1.18 CC1=NN(C=C1N)C CDS015732 [0,2,0,0,0,0|2,0,0]=4 341 B8R1.18 CN1C=C(C(=N1)N)N CBR01718 [0,2,0,0,0,0|2,0,0]=4 342 B8R1.18 N1C(=NC(=C1I)I)C ANV00245 [0,2,0,0,0,0|2,0,0]=4 343 B8R1.18 O=C1OC(=C(O1)Cl)Cl PH008661 [0,2,0,0,0,0|2,0,0]=4 344 B8R1.50 BrC1=CSC(=C1Br)Br L132055 [0,2,0,0,0,0|1,1,0]=4 345 B8R1.50 CC1=C(C(=NN1)Br)Br S939463 [0,2,0,0,0,0|2,0,0]=4 346 B8R1.50 CC1=C(C(=NO1)N)C SYX00035 [0,2,0,0,0,0|1,0,0]=3 347 B8R1.50 CC1=CC=[N+](N1C)C R461717 [0,2,0,0,0,0|2,0,0]=4 348 B8R1.50 CC1=NNC(=C1C)C CBR00071 [0,2,0,0,0,0|2,0,0]=4 349 B8R1.50 CC1=NNC(=C1N)C L203173 [0,2,0,0,0,0|2,0,0]=4 350 B8R1.50 CC1=NNC(=C1O)C S720429 [0,2,0,0,0,0|2,0,0]=4 351 B8R1.51 CC1(C=CC(=C1)Br)C T258652 [0,2,0,0,0,0|1,0,1]=4 352 B6R1.1 C1=CC=CC=C1 S458074 [0,0,1,1,0,0|1,0,1]=4 353 B6R1.1 C1=CC=NC=C1 S503533 [0,0,1,1,0,0|1,0,1]=4 354 B8R1.22 CC1OCC=CCO1 PH000676 [0,0,0,0,0,2|0,0,2]=4 355 B8R1.22 O=C1C=CC=CC=C1 T166987 [0,0,0,0,0,2|2,0,0]=4 356 B8R1.22 O=C1C=CCCC=C1 T167258 [0,0,0,0,0,2|2,0,0]=4