0 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.7 CC(=O)C1=NC=CN1 CBR02095 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.7 CC(N)C1=NOC=C1 CDS017372 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [0,0,0,0,0,0|3,1,0]=4 6 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.7 NC(=O)C1=CN=CS1 CDS020516 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.7 NC(=O)C1=CSC=N1 CDS006757 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.7 NC(=S)C1=CC=CN1 BOG00082 [0,0,0,0,0,0|2,1,1]=4 10 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [0,0,0,0,0,0|2,2,0]=4 11 B8R1.7 NC(=S)C1=CC=CS1 CDS014286 [0,0,0,0,0,0|2,1,0]=3 12 B8R1.7 NC(=S)C1=CNC=N1 CDS015089 [0,0,0,0,0,0|3,1,0]=4 13 B8R1.7 NC(=S)C1=CSC=N1 PH015038 [0,0,0,0,0,0|3,1,0]=4 14 B8R1.7 NC(=S)C1=NOC=N1 CBR00421 [0,0,0,0,0,0|3,1,0]=4 15 B8R1.7 O=C(O)C1=CC=CO1 S927228 [0,0,0,0,0,0|2,1,0]=3 16 B8R1.7 O=C(O)C1=CC=NN1 CDS005690 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.7 O=C(O)C1=CC=NS1 CDS010046 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.7 O=C(O)C1=CN=CS1 CDS007958 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.7 O=C(O)C1=CNN=N1 CDS008829 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.7 O=C(O)C1=CSN=N1 CDS016592 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.7 O=C(O)C1=NC=CN1 CDS019334 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.7 O=C(O)C1=NON=C1 CDS009561 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.1 C#CC1=CC=CS1 CDS010938 [1,0,0,0,0,0|1,0,2]=4 24 B7R1.1 CSC1=CC=CS1 R436550 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.1 ClCC1=NC=CS1 CBR01833 [1,0,0,0,0,0|1,0,1]=3 26 B7R1.1 Cl[Hg]C1=CC=CS1 S815802 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.1 NCC1=NC=CS1 CDS023086 [1,0,0,0,0,0|1,0,1]=3 28 B7R1.1 NCC1=NC=CS1 PHB00196 [1,0,0,0,0,0|1,0,1]=3 29 B7R1.1 O=CC1=CC=NN1 CDS003145 [1,0,0,0,0,0|2,0,1]=4 30 B7R1.1 O=CC1=CNN=N1 CDS009687 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.1 O=CC1=NNC=C1 CDS009918 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.1 O=CC1=NOC=C1 CDS009683 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.1 SCC1=CC=CS1 CDS000069 [1,0,0,0,0,0|1,1,1]=4 34 B9R1.11 C/C(=N/O)/C1=CC=CO1 S602906 [0,1,0,0,0,0|1,1,1]=4 35 B9R1.11 C/C(=N\N)/C1=CC=CS1 L164542 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.11 C/C(=N\O)/C1=CC=CN1 L166960 [0,1,0,0,0,0|1,0,2]=4 37 B9R1.11 CCC(=O)C1=CC=CN1 CDS000726 [0,1,0,0,0,0|1,0,1]=3 38 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [0,1,0,0,0,0|1,1,0]=3 39 B9R1.11 CCC(N)C1=CC=CS1 T326984 [0,1,0,0,0,0|2,0,1]=4 40 B9R1.11 CCC(N)C1=NC=CS1 CBR00629 [0,1,0,0,0,0|1,0,1]=3 41 B9R1.11 CNC(C)C1=CC=CS1 CBR01263 [0,1,0,0,0,0|2,0,1]=4 42 B9R1.11 COC(=O)C1=NNC=C1 CDS009495 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.19 O=S(=O)([O-])C1=CC=CS1 S435635 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [0,1,0,0,0,0|1,0,0]=2 45 B9R1.35 CC(=O)C1=CN=C(O1)N CBR01750 [0,1,0,0,0,0|2,1,0]=4 46 B9R1.35 CC(=O)C1=CNC(=N1)C PH000026 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.35 CC(=O)C1=CSC(=C1)Cl PHB00060 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.35 CC(C)C1=NN=C(S1)Br CBR02196 [0,1,0,0,0,0|2,0,1]=4 49 B9R1.35 CC(N)C1=CC=C(S1)Cl PH013644 [0,1,0,0,0,0|2,0,1]=4 50 B9R1.35 CC(N)C1=NN=C(S1)N CBR02410 [0,1,0,0,0,0|2,0,1]=4 51 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [0,1,0,0,0,0|2,1,0]=4 52 B9R1.35 CC1=CC=C(S1)C(C)N CDS012543 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.35 CC1=CNC(=N1)C(=O)O CBR02470 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.35 CC1=CNC(=N1)C(C)N CBR02459 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.35 CC1=CSC(=N1)C(=O)O CDS022513 [0,1,0,0,0,0|1,0,0]=2 56 B9R1.35 CC1=CSC(=N1)C(C)N CBR00036 [0,1,0,0,0,0|1,0,1]=3 57 B9R1.35 CC1=NC(=NO1)C(=O)O CDS019560 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.35 CC1=NC=C(S1)C(=O)O ANV00256 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.35 NC(=O)C1=CC=C(S1)Br CBR00204 [0,1,0,0,0,0|2,0,0]=3 60 B9R1.35 NC(=O)C1=NNC(=C1)N CBR00929 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.35 NC1=CSC(=C1)C(=O)O CDS010170 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.35 NC1=NC(=CS1)C(=O)O CDS003787 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.35 NC1=NC=C(S1)C(=O)O CDS004559 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.35 O=C(Cl)C1=CC(=CS1)Br CDS013861 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.35 O=C(O)C1=CC=C(O1)Cl CDS012743 [0,1,0,0,0,0|2,1,0]=4 66 B9R1.35 O=C(O)C1=CN=C(S1)Cl CDS005928 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.35 O=C(O)C1=CNC(=N1)O CDS002053 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.35 O=C(O)C1=CSC(=N1)Br CDS004762 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.35 O=C(O)C1=CSC(=N1)Br SYX00342 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.35 O=C(O)C1=CSC(=N1)Cl JRD0388 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.35 O=C(O)C1=NNC(=N1)Cl CBR01522 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.35 O=[N+]([O-])C1=CC=C(S1)I PH004031 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.41 CC(=O)C1=CNC=C1C L164399 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.41 CC1=C(N=CS1)C(=O)O CDS007674 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [0,1,0,0,0,0|2,0,1]=4 76 B9R1.41 CC1=C(SC=C1)[N+](=O)[O-] PH003225 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.41 CN1C=CC=C1C(=O)Cl PH016725 [0,1,0,0,0,0|2,0,1]=4 78 B9R1.41 CN1C=CN=C1C(=O)Cl PH018704 [0,1,0,0,0,0|2,0,0]=3 79 B9R1.41 CN1C=CN=C1C(=O)[O-] CDS003312 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.41 O=C(Cl)C1=C(C=CS1)Br PH010582 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.41 O=C(Cl)C1=C(C=CS1)Cl CDS013694 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.41 O=C(O)C1=C(C=CN1)Cl T266515 [0,1,0,0,0,0|2,0,1]=4 83 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [0,1,0,0,0,0|2,1,0]=4 84 B9R1.41 O=C(O)C1=NNC=C1I R432806 [0,1,0,0,0,0|3,0,0]=4 85 B7R0.15 CC(=O)/C(=N/O)/CCl PH000849 [0,0,1,0,0,0|3,0,0]=4 86 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [0,0,0,0,0,1|2,0,1]=4 87 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [0,0,0,0,0,1|2,0,1]=4 88 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [0,0,0,0,0,1|2,0,1]=4 89 B9R1.6 N=C(N)C1=NC=NC=C1 PH018567 [0,0,0,0,0,1|3,0,0]=4 90 B9R1.6 NC(=S)C1=NC=CC=N1 BOG00003 [0,0,0,0,0,1|2,1,0]=4 91 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [0,0,0,0,0,1|2,0,0]=3 92 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [0,0,0,0,0,1|3,0,0]=4 93 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [0,0,0,0,0,1|2,0,0]=3 94 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [0,0,0,0,0,1|2,0,0]=3 95 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [0,0,0,0,0,1|2,0,0]=3 96 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [0,0,0,0,0,1|3,0,0]=4 97 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [0,0,0,0,0,1|3,0,0]=4 98 B9R1.13 BrC(=CC1=CC=CS1)Br CFSS0002 [0,0,0,0,0,1|3,0,0]=4 99 B9R1.13 CC(=O)CC1=CC=CO1 CDS001522 [0,0,0,0,0,1|1,1,0]=3 100 B9R1.13 CC(=O)CN1C=CC=N1 CBR00875 [0,0,0,0,0,1|2,0,0]=3 101 B9R1.13 CC(=O)NC1=CSC=C1 S943886 [0,0,0,0,0,1|3,0,0]=4 102 B9R1.13 CC(N)CC1=NC=CS1 CDS011820 [0,0,0,0,0,1|1,0,1]=3 103 B9R1.13 CC(O)CC1=CC=CS1 S365017 [0,0,0,0,0,1|1,0,2]=4 104 B9R1.13 NC(=O)CC1=CC=CS1 S90671 [0,0,0,0,0,1|2,0,0]=3 105 B9R1.13 O=C(O)CC1=CSC=N1 CDS019681 [0,0,0,0,0,1|3,0,0]=4 106 B9R1.13 O=C(O)CC1=CSC=N1 OTV000637 [0,0,0,0,0,1|3,0,0]=4 107 B9R1.13 O=C(O)CC1=NC=CS1 CDS019262 [0,0,0,0,0,1|1,0,0]=2 108 B6R0.4 C=CCNC(=O)C EME00415 [1,0,1,0,0,0|2,0,0]=4 109 B6R0.3 CC(=O)/C(=C/Cl)/Cl PH011277 [1,0,1,0,0,0|2,0,0]=4 110 B6R0.3 CC(=O)/C(=C/[O-])/C S808946 [1,0,1,0,0,0|2,0,0]=4 111 B6R1.2 CC1=NC=CS1 CDS000301 [2,0,0,0,0,0|0,0,0]=2 112 B6R1.2 CC1=NNC=N1 CDS020176 [2,0,0,0,0,0|2,0,0]=4 113 B6R1.2 ClC1=NN=CS1 CBR01805 [2,0,0,0,0,0|2,0,0]=4 114 B6R1.2 N1C=CN=C1N CDS020502 [2,0,0,0,0,0|2,0,0]=4 115 B6R1.2 NC1=NC=CS1 R646520 [2,0,0,0,0,0|1,0,0]=3 116 B6R1.2 O=C1CC=CC1 CDS003851 [2,0,0,0,0,0|2,0,0]=4 117 B6R1.2 O=C1NC=CN1 CBR02030 [2,0,0,0,0,0|1,0,1]=4 118 B6R1.2 OC1=NN=CS1 CBR01616 [2,0,0,0,0,0|1,0,1]=4 119 B6R1.2 S=C1NC=CS1 PH000321 [2,0,0,0,0,0|0,1,1]=4 120 B8R0.28 CC(=O)/C=C/C=C(C)C CDS001465 [0,1,1,0,0,0|2,0,0]=4 121 B8R1.1 C(=O)C1=CN=C(S1)Br CDS004410 [1,1,0,0,0,0|2,0,0]=4 122 B8R1.1 C(=O)C1=CSC(=N1)Cl SYX00410 [1,1,0,0,0,0|2,0,0]=4 123 B8R1.1 CC1=CN=C(S1)C=O CDS011813 [1,1,0,0,0,0|0,0,0]=2 124 B8R1.1 CC1=CN=C(S1)CN CDS011809 [1,1,0,0,0,0|1,0,1]=4 125 B8R1.1 CNC1=NC=C(S1)Br CBR01741 [1,1,0,0,0,0|1,0,0]=3 126 B8R1.1 COC1=NC(=CS1)Br SYX00375 [1,1,0,0,0,0|1,0,0]=3 127 B8R1.1 COC1=NC=C(S1)Br SYX00323 [1,1,0,0,0,0|1,0,0]=3 128 B8R1.1 COC1=NN=C(S1)O CDS021330 [1,1,0,0,0,0|2,0,0]=4 129 B8R1.1 CSC1=NC(=CS1)Br SYX00338 [1,1,0,0,0,0|1,0,0]=3 130 B8R1.1 O=CC1=CN=C(S1)Cl CDS016382 [1,1,0,0,0,0|2,0,0]=4 131 B8R1.1 O=CC1=CN=C(S1)Cl SYX00395 [1,1,0,0,0,0|2,0,0]=4 132 B8R1.8 CCNC1=NN=CS1 PH014535 [1,1,0,0,0,0|1,0,1]=4 133 B8R1.8 CNCC1=CC=CS1 CDS004831 [1,1,0,0,0,0|1,0,1]=4 134 B8R1.8 CNCC1=CC=CS1 PH012021 [1,1,0,0,0,0|1,0,1]=4 135 B8R1.8 CNCC1=NC=CN1 CBR00689 [1,1,0,0,0,0|1,0,1]=4 136 B8R1.8 O=CNC1=NC=CS1 PH004567 [1,1,0,0,0,0|0,0,0]=2 137 B8R1.8 ON=CC1=CC=CS1 S551848 [1,1,0,0,0,0|1,0,1]=4 138 B8R1.11 C(=O)C1=C(C=CN1)Cl T266418 [1,1,0,0,0,0|1,0,1]=4 139 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [1,1,0,0,0,0|1,1,0]=4 140 B8R1.11 O=CC1=C(C=CO1)Br CDS004540 [1,1,0,0,0,0|1,1,0]=4 141 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [0,1,0,0,0,1|1,0,0]=3 142 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [0,1,0,0,0,1|1,0,0]=3 143 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [0,1,0,0,0,1|2,0,0]=4 144 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [0,1,0,0,0,1|2,0,0]=4 145 B10R1.13 CC1=CC=C(N=N1)C(=O)O CDS023095 [0,1,0,0,0,1|2,0,0]=4 146 B10R1.13 N1N=C(C=CC1=O)C(=O)O S909475 [0,1,0,0,0,1|2,0,0]=4 147 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [0,1,0,0,0,1|2,0,0]=4 148 B10R1.13 NC1=NN=C(CS1)C(=O)O SYX00097 [0,1,0,0,0,1|2,0,0]=4 149 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [0,1,0,0,0,1|2,0,0]=4 150 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [0,1,0,0,0,1|2,0,0]=4 151 B10R1.13 O=C(O)C1=NN=C(C=C1)Cl CDS020720 [0,1,0,0,0,1|2,0,0]=4 152 B10R1.13 O=C1C=CC(=NN1)C(=O)O CDS015149 [0,1,0,0,0,1|2,0,0]=4 153 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [0,1,0,0,0,1|1,0,1]=4 154 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [0,1,0,0,0,1|1,0,0]=3 155 B10R1.15 CSC(=N)C1=CC=CC=N1 BOG00223 [0,1,0,0,0,1|2,0,0]=4 156 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,1,0,0,0,1|2,0,0]=4 157 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [0,1,0,0,0,1|2,0,0]=4 158 B10R1.15 NNC(=O)C1=CC=CC=N1 CDS000511 [0,1,0,0,0,1|2,0,0]=4 159 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [0,1,0,0,0,1|1,0,0]=3 160 B10R1.61 CC(=O)C1=NC=CN=C1Cl PHB00229 [0,1,0,0,0,1|1,0,0]=3 161 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [0,1,0,0,0,1|2,0,0]=4 162 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [0,1,0,0,0,1|2,0,0]=4 163 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [0,1,0,0,0,1|2,0,0]=4 164 B10R1.61 O=C(O)C1=NC=CN=C1Cl PH009862 [0,1,0,0,0,1|2,0,0]=4 165 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [0,1,0,0,0,1|1,0,0]=3 166 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [0,1,0,0,0,1|1,0,1]=4 167 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [0,1,0,0,0,1|2,0,0]=4 168 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [0,1,0,0,0,1|2,0,0]=4 169 B10R1.113 NC(=O)C1=NC(=CN=C1)Cl CBR02075 [0,1,0,0,0,1|2,0,0]=4 170 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [0,1,0,0,0,1|2,0,0]=4 171 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [0,1,0,0,0,1|2,0,0]=4 172 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [0,1,0,0,0,1|2,0,0]=4 173 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [0,1,0,0,0,1|2,0,0]=4 174 B10R1.113 O=C(O)C1=CC(=NC=N1)O S362735 [0,1,0,0,0,1|2,0,0]=4 175 B10R1.113 O=C(O)C1=C[N+](=CC=N1)[O-] PH009754 [0,1,0,0,0,1|2,0,0]=4 176 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [0,1,0,0,0,1|2,0,0]=4 177 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [0,1,0,0,0,1|2,0,0]=4 178 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [0,1,0,0,0,1|2,0,0]=4 179 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [0,1,0,0,0,1|2,0,0]=4 180 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [0,1,0,0,0,1|2,0,0]=4 181 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [0,1,0,0,0,1|2,0,0]=4 182 B10R1.27 C/C(=C\C1=CC=CO1)/C=O PH011362 [0,1,0,0,0,1|1,1,0]=4 183 B10R1.27 CCC(=O)NC1=NC=CS1 PH008993 [0,1,0,0,0,1|0,0,0]=2 184 B10R1.27 COC(=O)NC1=NC=CS1 T324566 [0,1,0,0,0,1|0,0,0]=2 185 B10R1.27 CSC(=S)NC1=NC=CS1 PH002609 [0,1,0,0,0,1|0,1,0]=3 186 B10R1.27 O=C(CCl)NC1=NC=CS1 PH009983 [0,1,0,0,0,1|0,0,0]=2 187 B10R1.54 CC(=O)NC1=NN=C(S1)S PH016110 [0,1,0,0,0,1|1,0,0]=3 188 B10R1.54 CC(=O)NC1=NOC(=C1)C T318779 [0,1,0,0,0,1|2,0,0]=4 189 B10R1.54 CC1=CN=C(S1)CC(=O)[O-] CDS024580 [0,1,0,0,0,1|1,0,0]=3 190 B10R1.54 CC1=CSC(=N1)CC(=S)N PH015021 [0,1,0,0,0,1|1,1,0]=4 191 B10R1.54 NC(=S)CC1=NC(=CS1)O CDS020920 [0,1,0,0,0,1|1,1,0]=4 192 B10R1.54 O=C(O)CC1=NC(=CS1)Cl PHB00307 [0,1,0,0,0,1|1,0,0]=3 193 B10R1.9 COB(OC)C1=NC=CS1 CDS024130 [0,2,0,0,0,0|1,0,1]=4 194 B10R1.11 CCCC(=O)C1=CC=CO1 S593230 [0,2,0,0,0,0|1,1,0]=4 195 B10R1.11 CCCC(=O)C1=CC=CS1 S410160 [0,2,0,0,0,0|1,0,0]=3 196 B10R1.11 CCOC(=O)C1=CC=CN1 CDS000975 [0,2,0,0,0,0|1,0,1]=4 197 B10R1.11 CCOC(=O)C1=CNC=N1 CVT00042 [0,2,0,0,0,0|2,0,0]=4 198 B10R1.14 CC1=CC=C(S1)/C(=N\O)/C S755737 [0,2,0,0,0,0|1,0,1]=4 199 B10R1.14 CCC(=O)C1=CC=C(S1)Br CBR01166 [0,2,0,0,0,0|1,0,0]=3 200 B10R1.14 CCC(=O)C1=CC=C(S1)C CBR00320 [0,2,0,0,0,0|1,0,0]=3 201 B10R1.14 CNC(=O)C1=NC(=NN1)Br CBR01587 [0,2,0,0,0,0|2,0,0]=4 202 B10R1.14 CNC(=O)C1=NNC(=C1)N CBR01592 [0,2,0,0,0,0|2,0,0]=4 203 B10R1.14 COC(=O)C1=CC(=CS1)Br CDS005911 [0,2,0,0,0,0|1,0,0]=3 204 B10R1.14 COC(=O)C1=CC=C(O1)Br S810541 [0,2,0,0,0,0|1,1,0]=4 205 B10R1.14 COC(=O)C1=CN=C(S1)Cl SYX00302 [0,2,0,0,0,0|2,0,0]=4 206 B10R1.14 COC(=O)C1=CN=C(S1)N PH011707 [0,2,0,0,0,0|2,0,0]=4 207 B10R1.14 COC(=O)C1=COC(=N1)Cl SYX00378 [0,2,0,0,0,0|2,0,0]=4 208 B10R1.14 COC(=O)C1=COC(=N1)N SYX00318 [0,2,0,0,0,0|2,0,0]=4 209 B10R1.14 COC(=O)C1=CSC(=N1)C SYX00285 [0,2,0,0,0,0|2,0,0]=4 210 B10R1.14 COC(=O)C1=CSC(=N1)Cl SYX00303 [0,2,0,0,0,0|2,0,0]=4 211 B10R1.14 COC(=O)C1=NC(=CS1)Br PHB00113 [0,2,0,0,0,0|0,0,0]=2 212 B10R1.14 COC(=O)C1=NOC(=C1)C EME00018 [0,2,0,0,0,0|2,0,0]=4 213 B10R1.14 O=C(CBr)C1=CC=C(S1)Cl CDS003755 [0,2,0,0,0,0|1,0,0]=3 214 B10R1.149 CCC(=O)C1=NC=NN1C CBR01363 [0,2,0,0,0,0|2,0,0]=4 215 B10R1.149 COC(=O)C1=C(SC=N1)Br SYX00326 [0,2,0,0,0,0|2,0,0]=4 216 B10R1.149 COC(=O)C1=C(SC=N1)C SYX00155 [0,2,0,0,0,0|2,0,0]=4 217 B10R1.149 COC(=O)C1=NNC=C1C S940550 [0,2,0,0,0,0|2,0,0]=4 218 B10R1.149 O=C(CBr)C1=C(C=CS1)Cl CDS014953 [0,2,0,0,0,0|1,0,0]=3 219 B10R1.55 CC(C)(O)C1=NC(=CS1)Br SYX00396 [0,2,0,0,0,0|0,0,2]=4 220 B10R1.55 CC(C)(O)C1=NC=C(S1)Br SYX00078 [0,2,0,0,0,0|0,0,2]=4 221 B10R1.31 C(=O)C1=CSC(=N1)C(C)C SYX00125 [0,2,0,0,0,0|1,0,1]=4 222 B10R1.31 CC(=O)C1=CC(=CS1)CCl CBR01251 [0,2,0,0,0,0|1,0,0]=3 223 B10R1.31 CC(C)C1=NC(=CS1)CCl SYX00397 [0,2,0,0,0,0|1,0,1]=4 224 B10R1.31 CC(C)C1=NC(=CS1)CN SYX00398 [0,2,0,0,0,0|1,0,1]=4 225 B10R1.31 CC(C)C1=NC(=CS1)CO SYX00376 [0,2,0,0,0,0|1,0,1]=4 226 B10R1.31 CCC1=CC=C(S1)C(=O)O CDS012603 [0,2,0,0,0,0|2,0,0]=4 227 B10R1.31 CN(C)C1=NC=C(S1)C=O CDS008483 [0,2,0,0,0,0|2,0,0]=4 228 B10R1.31 CSC1=CC=C(S1)C(=O)O CDS017426 [0,2,0,0,0,0|2,0,0]=4 229 B10R1.31 NCC1=CC=C(S1)C(=O)O PH015546 [0,2,0,0,0,0|2,0,0]=4 230 B10R1.58 O=C(O)C1=CC(=C(S1)Br)Br PH010473 [0,2,0,0,0,0|2,0,0]=4 231 B10R1.59 CC(=O)C1=C(C=C(N1)C)C PH014632 [0,2,0,0,0,0|1,0,1]=4 232 B10R1.59 CC(=O)C1=C(N=C(S1)N)C S64638 [0,2,0,0,0,0|2,0,0]=4 233 B10R1.59 CC(=O)C1=C(N=C(S1)N)C S948659 [0,2,0,0,0,0|2,0,0]=4 234 B10R1.39 CCN1C=CC=C1C(=O)C CDS003863 [0,2,0,0,0,0|1,0,1]=4 235 B10R1.39 COC1=C(OC=C1)C(=O)C T285056 [0,2,0,0,0,0|1,1,0]=4 236 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [0,0,1,1,0,0|2,0,0]=4 237 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [0,0,1,1,0,0|2,0,0]=4 238 B8R1.5 CC1=NC=CN=C1Cl CDS013629 [0,0,1,1,0,0|2,0,0]=4 239 B8R1.5 CC1=NC=CN=C1S PH014228 [0,0,1,1,0,0|1,0,0]=3 240 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [0,0,0,1,0,1|2,0,0]=4 241 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [1,0,0,0,0,1|2,0,0]=4 242 B8R1.2 COC1=NC=CC=N1 CDS005079 [1,0,0,0,0,1|2,0,0]=4 243 B8R1.2 CSC1=NC=CC=N1 SYX00290 [1,0,0,0,0,1|2,0,0]=4 244 B8R1.2 CSC1=NC=CN=N1 SYX00362 [1,0,0,0,0,1|2,0,0]=4 245 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [1,0,0,0,0,1|1,0,0]=3 246 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,0,0,0,0,2|1,0,0]=3 247 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,0,0,0,0,2|1,0,0]=3 248 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [0,0,0,0,0,2|1,0,0]=3 249 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [0,0,0,0,0,2|1,0,0]=3 250 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [0,0,0,0,0,2|2,0,0]=4 251 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [0,0,0,0,0,2|2,0,0]=4 252 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [0,0,0,0,0,2|2,0,0]=4 253 B10R1.66 CC(=O)/C=C/C1=CC=CN1 L162493 [0,0,0,0,0,2|1,0,1]=4 254 B10R1.66 CC(=O)CCN1C=CC=N1 S533009 [0,0,0,0,0,2|2,0,0]=4 255 B10R1.66 CC(=O)CSC1=NC=CS1 PH010145 [0,0,0,0,0,2|0,0,0]=2 256 B10R1.66 O=C(O)/C=C/C1=NC=CS1 CDS022230 [0,0,0,0,0,2|1,0,0]=3