0 B7R1.1 BrCC1=CSC=C1 CDS022029 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.1 C#CC1=CC=CS1 CDS010938 [0,0,0,0,0,0|1,1,1]=3 2 B7R1.1 C#CC1=CC=NN1 CDS015894 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.1 CCC1=CNN=C1 CBR01738 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.1 CCC1C=CCC1 S416223 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.1 CSC1=CC=CS1 R436550 [0,0,0,0,0,0|2,1,0]=3 6 B7R1.1 ClCC1=CN=CS1 CBR02473 [0,0,0,0,0,0|2,1,0]=3 7 B7R1.1 ClCC1=CNC=N1 CBR00821 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.1 ClCC1=CSC=N1 SYX00282 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.1 ClCC1=NC=CS1 CBR01833 [0,0,0,0,0,0|2,1,0]=3 10 B7R1.1 Cl[Hg]C1=CC=CO1 S813176 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.1 Cl[Hg]C1=CC=CS1 S815802 [0,0,0,0,0,0|2,1,0]=3 12 B7R1.1 Cl[Hg]C1=COC=C1 S814148 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.1 N#CC1=CN=CN1 CDS006565 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.1 NCC1=CN=CS1 CDS007657 [0,0,0,0,0,0|2,1,0]=3 15 B7R1.1 NCC1=COC=C1 CDS008929 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.1 NCC1=CSN=N1 CDS019170 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.1 NCC1=NC=CS1 CDS023086 [0,0,0,0,0,0|2,1,0]=3 18 B7R1.1 NCC1=NC=CS1 PHB00196 [0,0,0,0,0,0|2,1,0]=3 19 B7R1.1 NCC1=NOC=N1 CDS019857 [0,0,0,0,0,0|4,0,0]=4 20 B7R1.1 O=CC1=CC=NN1 CDS003145 [0,0,0,0,0,0|2,0,2]=4 21 B7R1.1 O=CC1=NNC=C1 CDS009918 [0,0,0,0,0,0|2,0,2]=4 22 B7R1.1 O=CC1=NOC=C1 CDS009683 [0,0,0,0,0,0|2,0,2]=4 23 B7R1.1 OCC1=CC=CN1 CDS009556 [0,0,0,0,0,0|1,0,0]=1 24 B7R1.1 OCC1=CN=CS1 CDS004659 [0,0,0,0,0,0|1,1,0]=2 25 B7R1.1 OCC1=CNN=C1 CDS015812 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.1 OCC1=NOC=C1 PHB00207 [0,0,0,0,0,0|2,0,0]=2 27 B7R1.1 SCC1=CC=CS1 CDS000069 [0,0,0,0,0,0|0,2,0]=2 28 B6R1.2 BrC1=CC=CO1 CDS020809 [1,0,0,0,0,0|1,0,0]=2 29 B6R1.2 BrC1=NOC=C1 CDS005417 [1,0,0,0,0,0|3,0,0]=4 30 B6R1.2 CC1=CC=NN1 CDS002430 [1,0,0,0,0,0|2,0,0]=3 31 B6R1.2 CC1=COC=C1 CDS019631 [1,0,0,0,0,0|2,0,0]=3 32 B6R1.2 CC1=NC=CS1 CDS000301 [1,0,0,0,0,0|1,1,0]=3 33 B6R1.2 CC1=NNC=N1 CDS020176 [1,0,0,0,0,0|3,0,0]=4 34 B6R1.2 IC1=NNC=C1 BML00254 [1,0,0,0,0,0|3,0,0]=4 35 B6R1.2 N1C=CN=C1N CDS020502 [1,0,0,0,0,0|3,0,0]=4 36 B6R1.2 NC1=CN=CS1 CDS008189 [1,0,0,0,0,0|2,1,0]=4 37 B6R1.2 NC1=CSC=C1 PHB00043 [1,0,0,0,0,0|3,0,0]=4 38 B6R1.2 NC1=NC=CS1 R646520 [1,0,0,0,0,0|2,1,0]=4 39 B6R1.2 NN1C=CC=C1 CDS000078 [1,0,0,0,0,0|3,0,0]=4 40 B6R1.2 O=C1CC=CC1 CDS003851 [1,0,0,0,0,0|1,0,2]=4 41 B6R1.2 O=C1NC=CN1 CBR02030 [1,0,0,0,0,0|2,0,1]=4 42 B6R1.2 OC1=NN=CS1 CBR01616 [1,0,0,0,0,0|2,1,0]=4 43 B6R1.2 OC1=NSC=C1 CDS008627 [1,0,0,0,0,0|2,0,0]=3 44 B6R1.2 S=C1NC=CS1 PH000321 [1,0,0,0,0,0|1,2,0]=4 45 B8R1.1 CC1=CC(=CS1)CO TMT00554 [0,1,0,0,0,0|2,0,0]=3 46 B8R1.1 CC1=CC(=NO1)CO L482684 [0,1,0,0,0,0|2,0,0]=3 47 B8R1.1 CC1=CN=C(O1)CN CDS008557 [0,1,0,0,0,0|2,0,0]=3 48 B8R1.1 CC1=CN=C(S1)CN CDS011809 [0,1,0,0,0,0|2,1,0]=4 49 B8R1.1 CC1=NC(=CO1)CO CBR02085 [0,1,0,0,0,0|2,0,0]=3 50 B8R1.1 CC1=NC(=CS1)CN CBR00687 [0,1,0,0,0,0|3,0,0]=4 51 B8R1.1 CC1=NN=C(O1)CCl CDS022277 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.1 CC1=NN=C(O1)CO CBR01937 [0,1,0,0,0,0|2,0,0]=3 53 B8R1.1 CC1=NNC(=C1)CN CBR01017 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.1 CC1=NNC(=N1)CO CBR02415 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.1 CC1=NOC(=C1)C#N CBR00067 [0,1,0,0,0,0|2,0,1]=4 56 B8R1.1 CC1=NOC(=C1)C=O CDS014208 [0,1,0,0,0,0|1,0,2]=4 57 B8R1.1 CC1=NOC(=C1)CN CBR00041 [0,1,0,0,0,0|2,0,0]=3 58 B8R1.1 CC1=NOC(=N1)CCl CDS019758 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.1 CC1=NOC(=N1)CN CDS010118 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.1 CCC1=CSC(=N1)N CBR01525 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.1 CCC1=CSC(=S)N1 PH006951 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.1 CCC1=NNC(=C1)N CDS019625 [0,1,0,0,0,0|3,0,0]=4 63 B8R1.1 CCN1C=C(C=N1)Br CDS003673 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.1 CN1C=NC(=C1)CN CDS017640 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.1 CN1C=NC(=C1)CO CDS017610 [0,1,0,0,0,0|2,0,0]=3 66 B8R1.1 ClCC1=CSC(=N1)Cl SYX00330 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.1 Cl[Hg]C1=CC=C(O1)Cl S814490 [0,1,0,0,0,0|2,0,0]=3 68 B8R1.1 N#CC1=CC(=CN1)Br CBR01780 [0,1,0,0,0,0|2,0,1]=4 69 B8R1.1 N#CC1=CC(=CS1)Br CDS003609 [0,1,0,0,0,0|1,1,1]=4 70 B8R1.1 NCC1=CC=C(S1)Br CDS007961 [0,1,0,0,0,0|1,1,0]=3 71 B8R1.1 NCC1=CC=C(S1)Cl CDS013426 [0,1,0,0,0,0|1,1,0]=3 72 B8R1.1 OCC1=CC(=CS1)Br CDS016046 [0,1,0,0,0,0|0,1,0]=2 73 B8R1.1 OCC1=CC=C(S1)F PHB00247 [0,1,0,0,0,0|0,1,0]=2 74 B8R1.1 OCC1=CN=C(S1)Br SYX00336 [0,1,0,0,0,0|1,1,0]=3 75 B8R1.1 OCC1=CN=C(S1)Cl CDS013997 [0,1,0,0,0,0|1,1,0]=3 76 B8R1.1 OCC1=CSC(=N1)Br SYX00394 [0,1,0,0,0,0|2,0,0]=3 77 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [0,1,0,0,0,0|1,1,0]=3 78 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [0,1,0,0,0,0|1,1,0]=3 79 B8R1.7 CC(N)C1=CCCO1 PH018924 [0,1,0,0,0,0|1,0,2]=4 80 B8R1.7 CC(N)C1=CSC=C1 CBR01452 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.7 CC(N)C1=NOC=C1 CDS017372 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [0,1,0,0,0,0|1,0,1]=3 83 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [0,1,0,0,0,0|1,0,2]=4 84 B8R1.7 NC(=S)C1=CC=CN1 BOG00082 [0,1,0,0,0,0|1,1,1]=4 85 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [0,1,0,0,0,0|0,1,1]=3 86 B8R1.7 NC(=S)C1=CC=CS1 CDS014286 [0,1,0,0,0,0|0,2,1]=4 87 B8R1.7 O=C(O)C1=CC=CO1 S927228 [0,1,0,0,0,0|0,0,1]=2 88 B8R1.7 O=C(O)C1=CC=NN1 CDS005690 [0,1,0,0,0,0|2,0,1]=4 89 B8R1.7 O=C(O)C1=CC=NS1 CDS010046 [0,1,0,0,0,0|1,1,1]=4 90 B8R1.7 O=C(O)C1=CN=CS1 CDS007958 [0,1,0,0,0,0|1,1,1]=4 91 B8R1.7 O=C(O)C1=NC=CN1 CDS019334 [0,1,0,0,0,0|2,0,1]=4 92 B8R1.7 O=C(O)C1C=CCO1 CDS025234 [0,1,0,0,0,0|0,0,3]=4 93 B8R1.7 OB(O)C1=CC=NN1 CDS014043 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.7 OB(O)C1=CCCO1 CDS023964 [0,1,0,0,0,0|1,0,2]=4 95 B8R1.7 OB(O)C1=NNC=C1 BML00296 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.8 BrCCN1C=CC=N1 CDS002854 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.8 CCCN1C=CC=C1 PH010280 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.8 CNCC1=CC=CS1 CDS004831 [0,1,0,0,0,0|1,1,0]=3 99 B8R1.8 CNCC1=CC=CS1 PH012021 [0,1,0,0,0,0|1,1,0]=3 100 B8R1.8 CNCC1=CSC=C1 PH015792 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.8 CNCC1=NC=CN1 CBR00689 [0,1,0,0,0,0|3,0,0]=4 102 B8R1.8 ClCCN1C=CC=N1 CDS015079 [0,1,0,0,0,0|3,0,0]=4 103 B8R1.8 N#CCC1=CC=CO1 JRD0290 [0,1,0,0,0,0|1,0,0]=2 104 B8R1.8 N#C[Hg]C1=CC=CO1 S815810 [0,1,0,0,0,0|1,0,1]=3 105 B8R1.8 NCCC1=CC=CO1 CBR02448 [0,1,0,0,0,0|1,0,0]=2 106 B8R1.8 NCCN1C=CC=N1 CDS008012 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.8 NNCC1=CC=CS1 CBR01534 [0,1,0,0,0,0|1,1,0]=3 108 B8R1.8 OCCN1C=CC=C1 CDS000018 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.8 OCCN1C=CC=N1 CDS004224 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.8 OCCN1C=CN=N1 CDS008475 [0,1,0,0,0,0|3,0,0]=4 111 B8R1.8 ON=CC1=CC=CS1 S551848 [0,1,0,0,0,0|0,1,1]=3 112 B8R1.11 C(=O)C1=C(C=CN1)Cl T266418 [0,1,0,0,0,0|1,0,2]=4 113 B8R1.11 CC1=C(C=CO1)CN CDS019848 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.11 CC1=C(NC=N1)CN CBR01683 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [0,1,0,0,0,0|0,0,2]=3 116 B8R1.11 CC1=C(SC=C1)CN CDS015230 [0,1,0,0,0,0|1,1,0]=3 117 B8R1.11 CN1C=CN=C1CN CDS002678 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.11 CN1C=CN=C1CO CDS014909 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.11 CN1C=NN=C1CO CBR02167 [0,1,0,0,0,0|3,0,0]=4 120 B8R1.11 CN1N=CC=C1CBr CDS023901 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.11 O=CC1=C(C=CO1)Br CDS004540 [0,1,0,0,0,0|0,0,2]=3 122 B8R1.52 CC1(C=CC=C1)CO T236756 [0,1,0,0,0,0|1,0,1]=3 123 B6R0.1 C=C(CO)CCO T293814 [0,0,1,0,0,0|2,0,1]=4 124 B6R0.1 CC/C=C(\C)/CO S888702 [0,0,1,0,0,0|1,0,2]=4 125 B6R0.6 C=C=CCCCO CVT00100 [0,0,1,0,0,0|1,0,2]=4 126 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [0,0,0,0,0,1|3,0,0]=4 127 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [0,0,0,0,0,1|2,0,1]=4 128 B8R1.2 C1(C=CCC=C1)CO T175528 [0,0,0,0,0,1|1,0,1]=3 129 B8R1.2 C=CC1=CC=CC=C1 S460680 [0,0,0,0,0,1|2,0,1]=4 130 B8R1.2 C=CC1=CC=CC=C1 S461830 [0,0,0,0,0,1|2,0,1]=4 131 B8R1.2 C=CC1=CC=CC=C1 S462152 [0,0,0,0,0,1|2,0,1]=4 132 B8R1.2 COC1=NC=CC=N1 CDS005079 [0,0,0,0,0,1|3,0,0]=4 133 B8R1.2 CSC1=NC=CC=N1 SYX00290 [0,0,0,0,0,1|3,0,0]=4 134 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [0,0,0,0,0,1|3,0,0]=4 135 B8R1.2 NCC1=CC=CC=C1 S696684 [0,0,0,0,0,1|2,0,0]=3 136 B8R1.2 NCC1=CN=CC=C1 S763780 [0,0,0,0,0,1|2,0,0]=3 137 B8R1.2 NCC1=CN=CC=N1 CDS009594 [0,0,0,0,0,1|2,0,0]=3 138 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [0,0,0,0,0,1|1,0,2]=4 139 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [0,0,0,0,0,1|2,0,1]=4 140 B8R1.2 OCC1=CC=CN=N1 CDS015970 [0,0,0,0,0,1|1,0,0]=2 141 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [0,0,0,0,0,1|3,0,0]=4 142 B5R0.1 C=COC(=O)C S458201 [1,0,1,0,0,0|1,0,0]=3 143 B5R0.1 CC(=O)/C=C\N S312274 [1,0,1,0,0,0|1,0,1]=4 144 B5R0.1 O=C(O)/C=C/Cl R426903 [1,0,1,0,0,0|1,0,1]=4 145 B5R0.1 O=C(O)/C=C\I PH010791 [1,0,1,0,0,0|1,0,1]=4 146 B5R0.2 C=CSCCO PH007226 [1,0,1,0,0,0|0,1,1]=4 147 B5R0.2 OC/C=C/CO PH000110 [1,0,1,0,0,0|0,0,1]=3 148 B5R0.3 C/C(=C\Br)/CO S881295 [1,0,1,0,0,0|1,0,1]=4 149 B5R0.3 C=CC(O)CBr TMT00686 [1,0,1,0,0,0|1,0,1]=4 150 B7R0.2 C=C(Cl)C[C@H](O)CO T269794 [0,1,1,0,0,0|0,0,2]=4 151 B7R0.3 C=CCOC(=O)CBr PH008698 [0,1,1,0,0,0|2,0,0]=4 152 B7R0.10 C=C[C@@H](O)[C@@H](O)CO T269530 [0,1,1,0,0,0|0,0,2]=4 153 B7R0.4 C/C=C/C=C\C(C)O T211419 [0,1,1,0,0,0|1,0,0]=3 154 B7R0.4 CCO/C=C/C(=O)O CDS016341 [0,1,1,0,0,0|2,0,0]=4 155 B7R1.2 BrC1=CC=C(O1)Br CDS000239 [1,1,0,0,0,0|1,0,0]=3 156 B7R1.2 BrC1=COC(=C1)Br T266507 [1,1,0,0,0,0|1,0,0]=3 157 B7R1.2 CC1=CSC(=N1)Br CDS007616 [1,1,0,0,0,0|2,0,0]=4 158 B7R1.2 CC1=CSC(=N1)N S366536 [1,1,0,0,0,0|2,0,0]=4 159 B7R1.2 CC1=NC(=NO1)N CBR00048 [1,1,0,0,0,0|2,0,0]=4 160 B7R1.2 CC1=NC=C(N1)I ANV00066 [1,1,0,0,0,0|2,0,0]=4 161 B7R1.2 CC1=NN=C(O1)N PH010741 [1,1,0,0,0,0|2,0,0]=4 162 B7R1.2 CC1=NNC(=C1)N CDS004036 [1,1,0,0,0,0|2,0,0]=4 163 B7R1.2 CC1=NOC(=N1)C PH016136 [1,1,0,0,0,0|2,0,0]=4 164 B7R1.2 CN1C=C(C=N1)N CDS019978 [1,1,0,0,0,0|2,0,0]=4 165 B7R1.2 CN1C=CC(=N1)Br SYX00074 [1,1,0,0,0,0|2,0,0]=4 166 B7R1.2 CN1C=CC(=N1)N CDS013782 [1,1,0,0,0,0|2,0,0]=4 167 B7R1.2 NC1=CC(=NO1)N CBR01619 [1,1,0,0,0,0|2,0,0]=4 168 B7R1.2 O=C1C=C(CO1)Br SYX00384 [1,1,0,0,0,0|0,0,2]=4 169 B7R1.2 O=C1C=CC(=O)O1 S453374 [1,1,0,0,0,0|0,0,1]=3 170 B7R1.4 CC1=C(C=NN1)N CBR02396 [1,1,0,0,0,0|2,0,0]=4 171 B7R1.4 CC1=C(C=NO1)I CDS015521 [1,1,0,0,0,0|1,0,0]=3 172 B7R1.4 CC1=C(N=CN1)Br CDS022318 [1,1,0,0,0,0|2,0,0]=4 173 B7R1.4 CC1=NNC=C1I BML00217 [1,1,0,0,0,0|2,0,0]=4 174 B7R1.4 CN1N=CC=C1Br CBR02073 [1,1,0,0,0,0|2,0,0]=4 175 B9R1.1 CC1=CC=C(C=C1)CS S369497 [0,1,0,0,0,1|1,1,0]=4 176 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [0,1,0,0,0,1|2,0,0]=4 177 B9R1.1 CC1C=CC(C=C1)CO T168033 [0,1,0,0,0,1|1,0,1]=4 178 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [0,1,0,0,0,1|2,0,0]=4 179 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [0,1,0,0,0,1|1,0,0]=3 180 B9R1.1 NCC1=CC=C(C=C1)F R750263 [0,1,0,0,0,1|2,0,0]=4 181 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [0,1,0,0,0,1|2,0,0]=4 182 B9R1.1 NCC1=NC=C(N=C1)Cl CDS021292 [0,1,0,0,0,1|2,0,0]=4 183 B9R1.2 BrCC1=CC=CC(=N1)Br CDS022451 [0,1,0,0,0,1|2,0,0]=4 184 B9R1.2 CC1=CC(=CC=N1)CO L499730 [0,1,0,0,0,1|1,0,0]=3 185 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [0,1,0,0,0,1|1,1,0]=4 186 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [0,1,0,0,0,1|2,0,0]=4 187 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [0,1,0,0,0,1|2,0,0]=4 188 B9R1.2 CC1=CC=NC(=N1)CN CBR01839 [0,1,0,0,0,1|2,0,0]=4 189 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [0,1,0,0,0,1|2,0,0]=4 190 B9R1.2 CC1=NC(=CC=N1)CO CBR01737 [0,1,0,0,0,1|1,0,0]=3 191 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [0,1,0,0,0,1|2,0,0]=4 192 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [0,1,0,0,0,1|2,0,0]=4 193 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [0,1,0,0,0,1|2,0,0]=4 194 B9R1.2 CCC1=NC(=CC=C1)C S580031 [0,1,0,0,0,1|2,0,0]=4 195 B9R1.2 ClCC1=CC(=CN=C1)I ADE000376 [0,1,0,0,0,1|2,0,0]=4 196 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [0,1,0,0,0,1|2,0,0]=4 197 B9R1.2 NCC1=CC(=NC=N1)O CBR02401 [0,1,0,0,0,1|2,0,0]=4 198 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [0,1,0,0,0,1|2,0,0]=4 199 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [0,1,0,0,0,1|2,0,0]=4 200 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [0,1,0,0,0,1|2,0,0]=4 201 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [0,1,0,0,0,1|1,0,0]=3 202 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [0,1,0,0,0,1|1,0,0]=3 203 B9R1.2 OCC1=CC=NC(=C1)F MNO000064 [0,1,0,0,0,1|1,0,0]=3 204 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [0,1,0,0,0,1|1,0,0]=3 205 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [0,1,0,0,0,1|1,0,0]=3 206 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [0,1,0,0,0,1|1,0,0]=3 207 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [0,1,0,0,0,1|2,0,0]=4 208 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [0,1,0,0,0,1|2,0,0]=4 209 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [0,1,0,0,0,1|2,0,0]=4 210 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [0,1,0,0,0,1|2,0,0]=4 211 B9R1.6 CC(O)C1=CCCCO1 T242993 [0,1,0,0,0,1|0,0,2]=4 212 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [0,1,0,0,0,1|1,1,0]=4 213 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [0,1,0,0,0,1|1,0,1]=4 214 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [0,1,0,0,0,1|1,0,1]=4 215 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [0,1,0,0,0,1|2,0,0]=4 216 B9R1.6 OB(O)C1=CC=CC=N1 CDS009263 [0,1,0,0,0,1|2,0,0]=4 217 B9R1.6 OB(O)C1=CC=NC=C1 CDS006321 [0,1,0,0,0,1|2,0,0]=4 218 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [0,1,0,0,0,1|2,0,0]=4 219 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [0,1,0,0,0,1|1,0,1]=4 220 B9R1.8 CCCC1=CC=NC=C1 S573086 [0,1,0,0,0,1|2,0,0]=4 221 B9R1.8 CCOC1=CC=CC=N1 S442267 [0,1,0,0,0,1|2,0,0]=4 222 B9R1.8 CNCC1=NC=NC=C1 PH017743 [0,1,0,0,0,1|2,0,0]=4 223 B9R1.8 CNCC1=NC=NC=C1 PH019105 [0,1,0,0,0,1|2,0,0]=4 224 B9R1.8 COCC1=CC=CC=N1 S363146 [0,1,0,0,0,1|1,0,0]=3 225 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [0,1,0,0,0,1|2,0,0]=4 226 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [0,1,0,0,0,1|2,0,0]=4 227 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [0,1,0,0,0,1|2,0,0]=4 228 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [0,1,0,0,0,1|2,0,0]=4 229 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [0,1,0,0,0,1|1,0,0]=3 230 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [0,1,0,0,0,1|1,0,0]=3 231 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [0,1,0,0,0,1|2,0,0]=4 232 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [0,1,0,0,0,1|1,1,0]=4 233 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [0,1,0,0,0,1|1,1,0]=4 234 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [0,1,0,0,0,1|1,1,0]=4 235 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [0,1,0,0,0,1|2,0,0]=4 236 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [0,1,0,0,0,1|2,0,0]=4 237 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [0,1,0,0,0,1|2,0,0]=4 238 B9R1.15 CC1=CC=CN=C1CN CDS004048 [0,1,0,0,0,1|2,0,0]=4 239 B9R1.15 CC1=CC=NC=C1CN CDS013951 [0,1,0,0,0,1|2,0,0]=4 240 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [0,1,0,0,0,1|2,0,0]=4 241 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [0,1,0,0,0,1|2,0,0]=4 242 B9R1.15 CCC1=NC=NC=C1Br CDS023071 [0,1,0,0,0,1|2,0,0]=4 243 B9R1.15 ClC1=C(C=CC=N1)CBr CDS022464 [0,1,0,0,0,1|2,0,0]=4 244 B9R1.15 NC1=C(C=CN=C1)CO ADE000287 [0,1,0,0,0,1|1,0,0]=3 245 B9R1.15 NC1=CC=NC=C1CO ADE000311 [0,1,0,0,0,1|1,0,0]=3 246 B9R1.15 NC1=NC=CC=C1CO ADE000265 [0,1,0,0,0,1|1,0,0]=3 247 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [0,1,0,0,0,1|2,0,0]=4 248 B9R1.15 NCC1=CC=CC=C1Br T151114 [0,1,0,0,0,1|2,0,0]=4 249 B9R1.15 OCC1=C(C=NC=C1)Cl MNO000070 [0,1,0,0,0,1|1,0,0]=3 250 B9R1.15 OCC1=C(C=NC=C1)F MNO000191 [0,1,0,0,0,1|1,0,0]=3 251 B9R1.15 OCC1=CC=CC=N1O S459240 [0,1,0,0,0,1|1,0,0]=3 252 B9R1.15 OCC1=CC=NC=C1Br MNO000077 [0,1,0,0,0,1|1,0,0]=3 253 B9R1.15 OCC1=NC=CC=C1O R578177 [0,1,0,0,0,1|1,0,0]=3 254 B9R1.7 CC1=NN(C=C1)CCO CBR00079 [0,2,0,0,0,0|2,0,0]=4 255 B9R1.7 CCCC1=CC=C(O1)C L159743 [0,2,0,0,0,0|1,0,0]=3 256 B9R1.7 CNCC1=CC=C(O1)C CDS003835 [0,2,0,0,0,0|1,0,0]=3 257 B9R1.7 N#CCC1=CC(=CS1)Br CDS003130 [0,2,0,0,0,0|1,1,0]=4 258 B9R1.7 O/N=C/C1=CC(=CS1)Br PH011720 [0,2,0,0,0,0|0,1,1]=4 259 B9R1.7 OCCC1=CC(=NO1)Br SYX00381 [0,2,0,0,0,0|1,0,0]=3 260 B9R1.7 OCCN1C=C(C=N1)Br TMT00437 [0,2,0,0,0,0|2,0,0]=4 261 B9R1.21 CCC1=NOC(=C1)CO CBR01658 [0,2,0,0,0,0|1,0,0]=3 262 B9R1.21 CCC1=NOC(=N1)CO CBR01936 [0,2,0,0,0,0|2,0,0]=4 263 B9R1.21 Cl[Hg]C1=CC=C(O1)[Hg]Cl S813184 [0,2,0,0,0,0|2,0,0]=4 264 B9R1.21 N#CC1=CC=C(S1)CN CDS018039 [0,2,0,0,0,0|1,1,0]=4 265 B9R1.21 N#CC1=CC=C(S1)CN CDS021014 [0,2,0,0,0,0|1,1,0]=4 266 B9R1.21 N1C(=CC=C1CC)C=O CBR01642 [0,2,0,0,0,0|2,0,0]=4 267 B9R1.21 OCC1=CC(=NN1)CO L161411 [0,2,0,0,0,0|2,0,0]=4 268 B9R1.21 OCC1=CC=C(N1)CO L165034 [0,2,0,0,0,0|1,0,0]=3 269 B9R1.22 CC1=C(SC(=N1)Br)CO JRD0285 [0,2,0,0,0,0|1,1,0]=4 270 B9R1.22 CC1=NC(=C(O1)CO)C CBR01508 [0,2,0,0,0,0|1,0,0]=3 271 B9R1.22 OCC1=C(SC(=N1)Br)Br SYX00390 [0,2,0,0,0,0|2,0,0]=4 272 B9R1.23 CC1=C(OC(=N1)CN)C CDS019139 [0,2,0,0,0,0|2,0,0]=4 273 B9R1.23 CCC1=NC(=C(O1)C)C CDS000714 [0,2,0,0,0,0|2,0,0]=4 274 B9R1.23 Cl[Hg]C1=CC(=C(O1)Br)Br S820008 [0,2,0,0,0,0|2,0,0]=4 275 B9R1.35 CC(N)C1=CC=C(S1)Cl PH013644 [0,2,0,0,0,0|1,1,0]=4 276 B9R1.35 CC(O)C1=CSC(=C1)Cl PHB00211 [0,2,0,0,0,0|2,0,0]=4 277 B9R1.35 CC1=CC=C(O1)B(O)O CDS019945 [0,2,0,0,0,0|1,0,0]=3 278 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [0,2,0,0,0,0|0,0,2]=4 279 B9R1.35 CC1=CC=C(O1)[N+](=O)[O-] R397482 [0,2,0,0,0,0|1,0,1]=4 280 B9R1.35 CC1=CC=C(S1)C(C)N CDS012543 [0,2,0,0,0,0|1,1,0]=4 281 B9R1.35 CC1=CSC(=C1)B(O)O CDS003645 [0,2,0,0,0,0|1,1,0]=4 282 B9R1.35 CC1=NOC(=C1)C(=O)O PH000227 [0,2,0,0,0,0|1,0,1]=4 283 B9R1.35 NC1=CSC(=C1)C(=O)O CDS010170 [0,2,0,0,0,0|0,1,1]=4 284 B9R1.35 NC1=NC=C(O1)C(=O)O CDS023546 [0,2,0,0,0,0|1,0,1]=4 285 B9R1.35 O=C(O)C1=CC=C(O1)Cl CDS012743 [0,2,0,0,0,0|0,0,1]=3 286 B9R1.132 CC1=C(C(=CS1)CO)C TMT00539 [0,2,0,0,0,0|2,0,0]=4 287 B9R1.11 C/C(=N/O)/C1=CC=CO1 S602906 [0,2,0,0,0,0|0,0,1]=3 288 B9R1.11 C/C(=N\O)/C1=CC=CN1 L166960 [0,2,0,0,0,0|1,0,1]=4 289 B9R1.11 CC(NO)C1=CC=CO1 CVT00078 [0,2,0,0,0,0|0,0,0]=2 290 B9R1.11 CCC(=O)C1=CC=CN1 CDS000726 [0,2,0,0,0,0|2,0,0]=4 291 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [0,2,0,0,0,0|1,0,0]=3 292 B9R1.11 CCC(N)C1=CC=CS1 T326984 [0,2,0,0,0,0|1,1,0]=4 293 B9R1.11 CNC(C)C1=CC=CS1 CBR01263 [0,2,0,0,0,0|1,1,0]=4 294 B9R1.11 OC[C@H](O)C1=COC=C1 T279072 [0,2,0,0,0,0|2,0,0]=4 295 B9R1.19 CC(C)(C)C1=CC=NO1 S952605 [0,2,0,0,0,0|2,0,0]=4 296 B9R1.19 O[B-](O)(O)C1=CC=CS1 BCH00021 [0,2,0,0,0,0|1,1,0]=4 297 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [0,2,0,0,0,0|1,0,1]=4 298 B9R1.41 CC1=C(ON=C1)C(=O)O CDS012084 [0,2,0,0,0,0|1,0,1]=4 299 B9R1.41 O=C(O)C1=C(C=CN1)Cl T266515 [0,2,0,0,0,0|1,0,1]=4 300 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [0,2,0,0,0,0|0,0,1]=3 301 B9R1.41 OB(O)C1=C(C=CS1)Cl CDS004266 [0,2,0,0,0,0|1,1,0]=4 302 B9R1.12 CCCCC1=CC=CO1 CDS001204 [0,2,0,0,0,0|1,0,0]=3 303 B9R1.12 CCCCC1=CC=CS1 CDS001487 [0,2,0,0,0,0|1,1,0]=4 304 B9R1.12 N#CCCC1=CC=CO1 T208493 [0,2,0,0,0,0|1,0,0]=3 305 B9R1.12 N#CCCC1=CC=CS1 PH001287 [0,2,0,0,0,0|1,1,0]=4 306 B9R1.12 NCCCC1=CC=CO1 CBR00236 [0,2,0,0,0,0|1,0,0]=3 307 B9R1.12 S=C=NCC1=CC=CO1 CDS003797 [0,2,0,0,0,0|0,1,0]=3 308 B9R1.13 BrC(=CC1=CC=CO1)Br CFSS0001 [0,2,0,0,0,0|1,0,1]=4 309 B9R1.13 CC(=O)CC1=CC=CO1 CDS001522 [0,2,0,0,0,0|0,0,1]=3 310 B9R1.13 CC(O)CC1=CC=CS1 S365017 [0,2,0,0,0,0|0,1,0]=3 311 B9R1.13 NC(=O)CC1=CC=CS1 S90671 [0,2,0,0,0,0|0,1,1]=4 312 B9R1.13 O=C(O)CC1=CNC=C1 CDS023068 [0,2,0,0,0,0|2,0,0]=4 313 B9R1.13 O=C(O)CC1=CSC=N1 CDS019681 [0,2,0,0,0,0|2,0,0]=4 314 B9R1.13 O=C(O)CC1=CSC=N1 OTV000637 [0,2,0,0,0,0|2,0,0]=4 315 B9R1.13 O=C(O)CC1=NC=CS1 CDS019262 [0,2,0,0,0,0|1,1,0]=4 316 B9R1.33 CC1=C(SC=C1)CCN CBR01050 [0,2,0,0,0,0|1,1,0]=4 317 B9R1.33 CN1C=CC=C1CC#N CBR02122 [0,2,0,0,0,0|2,0,0]=4 318 B9R1.33 CN1C=CC=C1CCN CBR01483 [0,2,0,0,0,0|2,0,0]=4 319 B9R1.33 CN1C=CN=C1CCO CDS023208 [0,2,0,0,0,0|2,0,0]=4 320 B9R1.33 N(C)CC1=CC=CN1C T316350 [0,2,0,0,0,0|2,0,0]=4 321 B9R1.14 CCN1C=CN=C1CO CBR00306 [0,2,0,0,0,0|2,0,0]=4 322 B9R1.27 O=C1C=CC(=O)N1CO PH006878 [0,2,0,0,0,0|2,0,0]=4