0 B8R1.8 BrCCC1=CC=CS1 F20027 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 CCCC1=NCCO1 T72500 [0,0,0,0,0,0|1,1,2]=4 2 B8R1.8 CCNC1=NC=NN1 AT21327 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.8 CCNC1=NN=CO1 AT18792 [0,0,0,0,0,0|2,1,0]=3 4 B8R1.8 CNCC1=CN=CS1 71400 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.8 CNCC1=CSC=N1 AT10976 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.8 CNCC1=CSC=N1 AT14743 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.8 CNCC1=NC=CN1 W10149 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.8 CNCC1=NC=CS1 AT10974 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.8 CNCC1=NNC=C1 F31265 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.8 CNCC1=NOC=C1 AT10962 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.8 COCC1=NC=CN1 P10070 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.8 COCC1=NNC=N1 AT12266 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.8 ClCCC1=CNC=N1 D82567 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.8 N#CCC1=NC=CN1 F17294 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.8 NCCC1=COC=N1 AT18667 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.8 NCCC1=NC=CS1 F51904 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.8 NCCC1=NNC=C1 AC2815 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.8 NCCN1C=CC=N1 AT10968 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.8 NNCC1=CC=CS1 P10519 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.8 O=CCC1=CC=CS1 O10539 [0,0,0,0,0,0|3,0,1]=4 21 B8R1.8 O=CCC1=NC=CS1 D88143 [0,0,0,0,0,0|2,0,1]=3 22 B7R1.1 BrCC1=CN=CS1 70967 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.1 BrCC1=CNC=N1 AT15560 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.1 BrCC1=COC=N1 F13651 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.1 BrCC1=CSC=N1 70966 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.1 C=CC1=NC=CS1 C72532 [1,0,0,0,0,0|0,0,2]=3 27 B7R1.1 CCC1=CN=CO1 C77473 [1,0,0,0,0,0|2,1,0]=4 28 B7R1.1 CCC1=COC=N1 C77618 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.1 CCC1=NN=CN1 AT12320 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.1 CCN1N=CN=N1 F17210 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.1 CNC1=NC=CS1 H11141 [1,0,0,0,0,0|1,0,0]=2 32 B7R1.1 CNC1=NN=CO1 AT18791 [1,0,0,0,0,0|2,1,0]=4 33 B7R1.1 CNC1=NN=CS1 71255 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.1 COC1=NCCN1 D98226 [1,0,0,0,0,0|1,0,2]=4 35 B7R1.1 COC1=NSC=C1 AT11777 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.1 ClCC1=CN=CS1 F13827 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.1 ClCC1=CNC=N1 70851 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.1 ClCC1=COC=N1 C16353 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.1 ClCC1=NC=CN1 35198 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.1 ClCC1=NC=CS1 AC6679 [1,0,0,0,0,0|1,0,0]=2 41 B7R1.1 ClCC1=NN=CO1 C90532 [1,0,0,0,0,0|2,1,0]=4 42 B7R1.1 ClCN1C=CC=N1 79341 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 NCC1=CC=NS1 AT13366 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.1 NCC1=CNC=N1 C90275 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.1 NCC1=COC=N1 73632 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.1 NCC1=NC=NN1 S10770 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.1 NCC1=NN=CO1 AT18772 [1,0,0,0,0,0|2,1,0]=4 48 B7R1.1 NCC1=NNC=N1 C14327 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.1 NCC1=NSC=C1 P10783 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.1 NNC1=CC=CS1 W17128 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.1 NNC1=NC=CN1 25904 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.1 NNC1=NC=CS1 D87841 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.1 OCC1=CC=CN1 AT16114 [1,0,0,0,0,0|2,0,1]=4 54 B7R1.1 OCC1=NC=CN1 D72609 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.1 SCC1=CC=CS1 T72725 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.7 CC1=CC=C(CCN)S1 31616 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.7 CC1=CNC(CCN)=N1 F17871 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.7 CC1=CSC(CCN)=C1 96997 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.7 CC1=NN=C(CCN)S1 AT18987 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.7 CCCC1=COC(Br)=N1 AT18459 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.7 CCCC1=NC(Br)=NN1 AT12133 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.7 CCCC1=NN=C(S)O1 AT18828 [0,1,0,0,0,0|2,1,0]=4 63 B9R1.7 CCCN1C=CC(O)=N1 AC6302 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.7 CCCN1N=CC(N)=N1 AT21823 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.7 CCOC1=CC(N)=NN1 76280 [0,1,0,0,0,0|2,0,1]=4 66 B9R1.7 CCOC1=CC(N)=NN1 D70001 [0,1,0,0,0,0|2,0,1]=4 67 B9R1.7 CCOC1=NC(N)=NS1 AT11907 [0,1,0,0,0,0|1,0,0]=2 68 B9R1.7 CCOC1=NN=C(N)S1 AT18846 [0,1,0,0,0,0|1,0,0]=2 69 B9R1.7 CCOC1=NN=C(S)S1 AT18848 [0,1,0,0,0,0|1,0,0]=2 70 B9R1.7 CCOC1=NNC(Br)=C1 P14561 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.7 CCSC1=NC(C)=CS1 H11517 [0,1,0,0,0,0|0,1,0]=2 72 B9R1.7 CNCC1=CC=C(C)S1 75578 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.7 CNCC1=NC(C)=CS1 70492 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.7 CNCC1=NN=C(C)S1 AT18922 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.7 COCC1=NN=C(Br)S1 AT18868 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.7 COCC1=NN=C(Cl)S1 AT19000 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.7 N#CCC1=NC(Cl)=CS1 95173 [0,1,0,0,0,0|2,0,1]=4 78 B9R1.7 N#CCC1=NC=C(Br)S1 P13016 [0,1,0,0,0,0|2,0,1]=4 79 B9R1.7 N#CCC1=NC=C(Cl)S1 P13017 [0,1,0,0,0,0|2,0,1]=4 80 B9R1.7 NCCC1=NC=C(Br)S1 AT14710 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.11 CC[C@H](N)C1=CSC=N1 N14434 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.11 CC[C@H](N)C1=NC=CS1 N14679 [0,1,0,0,0,0|1,0,0]=2 83 B9R1.11 CC[C@H](N)C1=NC=CS1 N14680 [0,1,0,0,0,0|1,0,0]=2 84 B9R1.11 CN[C@@H](C)C1=NC=CS1 AT10975 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.11 N[C@@H](CO)C1=NC=CS1 N14686 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.11 N[C@@H](CO)C1=NC=CS1 N14688 [0,1,0,0,0,0|2,0,0]=3 87 B9R1.11 O=C(CBr)C1=NC=CS1 AC5165 [0,1,0,0,0,0|2,0,0]=3 88 B9R1.11 O=C(CO)C1=CC=CS1 AC7083 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.12 CNCCC1=CC=CS1 AT16732 [0,1,0,0,0,0|2,0,0]=3 90 B9R1.12 ICCCC1=CC=CS1 AC6959 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.12 NCCCC1=NC=CN1 F10426 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.12 NCCCC1=NN=CS1 AT18988 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.12 NCCCN1N=CC=N1 74610 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.12 OCCNC1=NC=CS1 AT14889 [0,1,0,0,0,0|1,0,0]=2 95 B9R1.13 C[C@H](N)CC1=NNC=C1 I11135 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.13 C[C@H](O)CC1=CC=CO1 W11911 [0,1,0,0,0,0|2,1,0]=4 97 B9R1.13 NC(=O)NC1=NC=CS1 W15996 [0,1,0,0,0,0|2,0,1]=4 98 B9R1.33 CCOC1=C(C)C=CS1 91672 [0,1,0,0,0,0|1,0,0]=2 99 B9R1.33 CN1C=CN=C1CCN AT24187 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.33 CNCC1=NC=CN1C AT15623 [0,1,0,0,0,0|3,0,0]=4 101 B7R0.7 CCOC(=O)\C=C\[O-] P10114 [0,0,1,0,0,0|2,1,0]=4 102 B9R2.2 C1=CSC(C2CC2)=N1 95281 [0,0,0,1,0,0|1,0,0]=2 103 B9R2.2 C1=NC(C2CC2)=CN1 70406 [0,0,0,1,0,0|3,0,0]=4 104 B9R2.3 C1=NN2CCOC2=C1 AT11029 [0,0,0,1,0,0|2,0,1]=4 105 B9R1.8 BrCCC1=CN=CC=C1 C77647 [0,0,0,0,0,1|3,0,0]=4 106 B9R1.8 CCCC1=CC=CN=C1 O11051 [0,0,0,0,0,1|2,0,0]=3 107 B9R1.8 CCNC1=NC=CN=C1 C76036 [0,0,0,0,0,1|2,0,0]=3 108 B9R1.8 CNCC1=NC=CC=N1 27199 [0,0,0,0,0,1|3,0,0]=4 109 B9R1.8 CNCC1=NC=CC=N1 72796 [0,0,0,0,0,1|3,0,0]=4 110 B9R1.8 CNCC1=NC=NC=C1 C14477 [0,0,0,0,0,1|3,0,0]=4 111 B9R1.8 NCCC1=NC=CC=N1 83201 [0,0,0,0,0,1|3,0,0]=4 112 B9R1.8 NCCC1=NC=CC=N1 P10852 [0,0,0,0,0,1|3,0,0]=4 113 B9R1.8 NCCC1=NC=CN=C1 AT22557 [0,0,0,0,0,1|3,0,0]=4 114 B9R1.8 NCCC1=NC=NC=C1 P10950 [0,0,0,0,0,1|3,0,0]=4 115 B9R1.8 OCCC1=NN=CC=C1 D77083 [0,0,0,0,0,1|3,0,0]=4 116 B9R1.8 SCCC1=NC=CC=C1 F18309 [0,0,0,0,0,1|3,0,0]=4 117 B6R0.6 CCO\C=C\C=O F18326 [1,0,1,0,0,0|0,1,0]=3 118 B6R0.1 CCOC(=N)CCl AC8745 [1,0,1,0,0,0|1,0,1]=4 119 B6R0.1 CCOC(=S)SC AC9840 [1,0,1,0,0,0|1,0,1]=4 120 B6R1.2 CC1=NC=CO1 O10838 [2,0,0,0,0,0|0,1,0]=3 121 B6R1.2 CC1=NSC=C1 AC6637 [2,0,0,0,0,0|2,0,0]=4 122 B6R1.2 ClC1=NC=CO1 F20650 [2,0,0,0,0,0|1,1,0]=4 123 B6R1.2 IC1=NN=CS1 C74707 [2,0,0,0,0,0|2,0,0]=4 124 B6R1.2 NC1=CC=CS1 44128 [2,0,0,0,0,0|2,0,0]=4 125 B6R1.2 NC1=CC=CS1 F10359 [2,0,0,0,0,0|2,0,0]=4 126 B6R1.2 OC1=NN=CS1 AT18843 [2,0,0,0,0,0|1,0,0]=3 127 B6R1.2 SC1=NC=CO1 AT18533 [2,0,0,0,0,0|0,2,0]=4 128 B8R1.1 BrCC1=CC=C(Br)S1 AC9027 [1,1,0,0,0,0|2,0,0]=4 129 B8R1.1 BrCC1=NC(Br)=CS1 82078 [1,1,0,0,0,0|1,0,0]=3 130 B8R1.1 BrCC1=NC=C(Br)S1 AT14726 [1,1,0,0,0,0|1,0,0]=3 131 B8R1.1 BrCC1=NN=C(Br)S1 86716 [1,1,0,0,0,0|2,0,0]=4 132 B8R1.1 C#CC1=NC(C)=CS1 C74016 [1,1,0,0,0,0|0,0,2]=4 133 B8R1.1 CC1=CN=C(CCl)O1 AT18576 [1,1,0,0,0,0|1,1,0]=4 134 B8R1.1 CC1=CN=C(CN)O1 P18975 [1,1,0,0,0,0|1,1,0]=4 135 B8R1.1 CC1=CN=C(CN)S1 32702 [1,1,0,0,0,0|1,0,0]=3 136 B8R1.1 CC1=CN=C(CO)N1 P12877 [1,1,0,0,0,0|2,0,0]=4 137 B8R1.1 CC1=CN=C(CO)O1 AT18512 [1,1,0,0,0,0|1,1,0]=4 138 B8R1.1 CC1=NN=C(CN)S1 AT18920 [1,1,0,0,0,0|2,0,0]=4 139 B8R1.1 CCC1=CC=C(S)S1 AT16555 [1,1,0,0,0,0|1,0,0]=3 140 B8R1.1 CCC1=CN=C(Br)S1 56511 [1,1,0,0,0,0|2,0,0]=4 141 B8R1.1 CCC1=CN=C(S)S1 E72343 [1,1,0,0,0,0|2,0,0]=4 142 B8R1.1 CCC1=CSC(Br)=N1 32166 [1,1,0,0,0,0|2,0,0]=4 143 B8R1.1 CCC1=NC(Br)=CN1 AT15316 [1,1,0,0,0,0|1,0,0]=3 144 B8R1.1 CCC1=NC(Br)=NO1 AT25810 [1,1,0,0,0,0|1,1,0]=4 145 B8R1.1 CCC1=NN(C)C=C1 C91459 [1,1,0,0,0,0|2,0,0]=4 146 B8R1.1 CCC1=NN=C(Br)N1 AT12502 [1,1,0,0,0,0|2,0,0]=4 147 B8R1.1 CCC1=NN=C(Br)O1 AT16432 [1,1,0,0,0,0|1,1,0]=4 148 B8R1.1 CCC1=NN=C(Br)S1 AT18854 [1,1,0,0,0,0|1,0,0]=3 149 B8R1.1 CCC1=NN=C(Cl)N1 AT12315 [1,1,0,0,0,0|2,0,0]=4 150 B8R1.1 CCC1=NN=C(Cl)O1 AT18833 [1,1,0,0,0,0|1,1,0]=4 151 B8R1.1 CCC1=NN=C(Cl)S1 AT18983 [1,1,0,0,0,0|1,0,0]=3 152 B8R1.1 CCC1=NN=C(N)N1 AT12223 [1,1,0,0,0,0|2,0,0]=4 153 B8R1.1 CCC1=NN=C(N)O1 VT1414 [1,1,0,0,0,0|1,1,0]=4 154 B8R1.1 CCC1=NN=C(O)O1 AT18768 [1,1,0,0,0,0|1,1,0]=4 155 B8R1.1 CCC1=NN=C(S)S1 AT18942 [1,1,0,0,0,0|1,0,0]=3 156 B8R1.1 CCC1=NSC(Br)=N1 AT11967 [1,1,0,0,0,0|2,0,0]=4 157 B8R1.1 CCN1C=C(I)C=N1 77861 [1,1,0,0,0,0|2,0,0]=4 158 B8R1.1 CCN1C=CC(Br)=N1 AT15804 [1,1,0,0,0,0|2,0,0]=4 159 B8R1.1 CCN1C=CC(Cl)=N1 E72194 [1,1,0,0,0,0|2,0,0]=4 160 B8R1.1 CCN1C=CC(O)=N1 AT14005 [1,1,0,0,0,0|2,0,0]=4 161 B8R1.1 CCN1N=CC(N)=N1 AT11960 [1,1,0,0,0,0|2,0,0]=4 162 B8R1.1 CNC1=NC=C(Br)S1 AT14732 [1,1,0,0,0,0|1,0,0]=3 163 B8R1.1 CNC1=NN=C(S)S1 AT18878 [1,1,0,0,0,0|2,0,0]=4 164 B8R1.1 COC1=CC=C(Br)S1 N10622 [1,1,0,0,0,0|1,0,0]=3 165 B8R1.1 COC1=CSC(Br)=N1 AT14677 [1,1,0,0,0,0|2,0,0]=4 166 B8R1.1 COC1=NC(Br)=NN1 AT12186 [1,1,0,0,0,0|2,0,0]=4 167 B8R1.1 COC1=NC(N)=NN1 AT21267 [1,1,0,0,0,0|2,0,0]=4 168 B8R1.1 COC1=NN(C)C=C1 AT24917 [1,1,0,0,0,0|2,0,0]=4 169 B8R1.1 COC1=NN=C(Br)S1 AT11931 [1,1,0,0,0,0|1,0,0]=3 170 B8R1.1 COC1=NN=C(S)S1 AT18847 [1,1,0,0,0,0|1,0,0]=3 171 B8R1.1 COC1=NNC(Br)=C1 P13052 [1,1,0,0,0,0|2,0,0]=4 172 B8R1.1 COC1=NNC(C)=C1 E71889 [1,1,0,0,0,0|2,0,0]=4 173 B8R1.1 ClC1=CC=C(CBr)S1 AT16577 [1,1,0,0,0,0|2,0,0]=4 174 B8R1.1 ClCC1=CC(Br)=CS1 F30091 [1,1,0,0,0,0|2,0,0]=4 175 B8R1.1 ClCC1=CC=C(Br)S1 AT16373 [1,1,0,0,0,0|2,0,0]=4 176 B8R1.1 ClCC1=NC(Cl)=CS1 AT15212 [1,1,0,0,0,0|1,0,0]=3 177 B8R1.1 ClCC1=NC=C(Br)S1 AT14714 [1,1,0,0,0,0|1,0,0]=3 178 B8R1.1 ClCC1=NC=C(Cl)S1 AT15029 [1,1,0,0,0,0|1,0,0]=3 179 B8R1.1 ClCC1=NN=C(Cl)S1 AT19001 [1,1,0,0,0,0|2,0,0]=4 180 B8R1.1 NCC1=CC=C(Cl)S1 P19111 [1,1,0,0,0,0|2,0,0]=4 181 B8R1.1 NCC1=NC(Cl)=CS1 AT15205 [1,1,0,0,0,0|1,0,0]=3 182 B8R1.1 NCC1=NC=C(Br)S1 P12853 [1,1,0,0,0,0|1,0,0]=3 183 B8R1.1 NCC1=NC=C(Cl)S1 P11510 [1,1,0,0,0,0|1,0,0]=3 184 B8R1.1 O=CC1=NC(Cl)=CS1 P12467 [1,1,0,0,0,0|1,0,1]=4 185 B8R1.1 O=CC1=NC=C(I)S1 S10281 [1,1,0,0,0,0|1,0,1]=4 186 B8R1.1 OCC1=CC(Cl)=CS1 37631 [1,1,0,0,0,0|2,0,0]=4 187 B8R1.1 OCC1=NC=C(Br)N1 P17528 [1,1,0,0,0,0|2,0,0]=4 188 B8R1.1 OCC1=NN=C(Br)S1 AT18896 [1,1,0,0,0,0|2,0,0]=4 189 B8R1.7 C=C(C)C1=NC=CS1 T71747 [1,1,0,0,0,0|0,0,1]=3 190 B8R1.7 CC(C)C1=NN=CN1 AT12319 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [1,1,0,0,0,0|1,1,0]=4 192 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [1,1,0,0,0,0|1,1,0]=4 193 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [1,1,0,0,0,0|1,1,0]=4 194 B8R1.7 C[C@H](N)C1=CN=CS1 AT14771 [1,1,0,0,0,0|2,0,0]=4 195 B8R1.7 C[C@H](N)C1=CN=CS1 AT14772 [1,1,0,0,0,0|2,0,0]=4 196 B8R1.7 C[C@H](N)C1=CSC=N1 AT12534 [1,1,0,0,0,0|2,0,0]=4 197 B8R1.7 C[C@H](N)C1=CSC=N1 N14692 [1,1,0,0,0,0|2,0,0]=4 198 B8R1.7 C[C@H](N)C1=CSC=N1 N14693 [1,1,0,0,0,0|2,0,0]=4 199 B8R1.7 C[C@H](N)C1=NC=CN1 AT15627 [1,1,0,0,0,0|1,0,0]=3 200 B8R1.7 C[C@H](N)C1=NC=CN1 AT15630 [1,1,0,0,0,0|1,0,0]=3 201 B8R1.7 C[C@H](N)C1=NC=CN1 W10071 [1,1,0,0,0,0|1,0,0]=3 202 B8R1.7 C[C@H](N)C1=NC=CS1 AT14699 [1,1,0,0,0,0|0,0,0]=2 203 B8R1.7 C[C@H](N)C1=NC=NN1 AT10973 [1,1,0,0,0,0|2,0,0]=4 204 B8R1.7 C[C@H](N)C1=NN=CN1 D75137 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.7 C[C@H](N)C1=NNC=C1 32104 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.7 C[C@H](N)C1=NNC=N1 AC8934 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [1,1,0,0,0,0|1,0,0]=3 208 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [1,1,0,0,0,0|1,0,0]=3 209 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [1,1,0,0,0,0|1,0,0]=3 210 B8R1.7 C[C@H](O)C1=CN=CS1 AT14775 [1,1,0,0,0,0|2,0,0]=4 211 B8R1.7 C[C@H](O)C1=CN=CS1 AT14778 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.7 C[C@H](O)C1=CN=CS1 AT14782 [1,1,0,0,0,0|2,0,0]=4 213 B8R1.7 C[C@H](O)C1=COC=N1 F13182 [1,1,0,0,0,0|2,0,0]=4 214 B8R1.7 C[C@H](O)C1=CSC=N1 AT14859 [1,1,0,0,0,0|2,0,0]=4 215 B8R1.7 C[C@H](O)C1=NC=CN1 AT15608 [1,1,0,0,0,0|1,0,0]=3 216 B8R1.7 C[C@H](O)C1=NC=CS1 AT14682 [1,1,0,0,0,0|0,0,0]=2 217 B8R1.7 C[C@H](O)C1=NC=CS1 AT14685 [1,1,0,0,0,0|0,0,0]=2 218 B8R1.7 C[C@H](O)C1=NN=CN1 AT21384 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.7 C[C@H](O)C1=NNC=C1 AT15830 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.7 C[C@H](O)C1=NNC=C1 AT15831 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.7 C[C@H](O)C1=NNC=C1 AT15832 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.7 NC(=S)C1=NC=CS1 AT14697 [1,1,0,0,0,0|1,0,1]=4 223 B8R1.11 CC1=C(CN)SC=C1 71361 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.11 CCC1=C(N)SC=N1 W15853 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.11 CCC1=NNC=C1I I11378 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.11 CCC1=NNC=C1N AT14204 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.11 CCN1N=CC=C1Br F17300 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.11 CCN1N=CC=C1Cl AT15849 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.11 CCN1N=CC=C1O AT14056 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.11 CN1C=CN=C1CBr AT15680 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.11 CN1C=CN=C1CN AT15625 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.11 CNC1=NC=CN1C AT15602 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.11 COC1=C(Br)C=CS1 AT16340 [1,1,0,0,0,0|1,0,0]=3 234 B8R1.11 COC1=C(Br)SC=N1 AT14705 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.11 COC1=C(C)C=CS1 91670 [1,1,0,0,0,0|1,0,0]=3 236 B8R1.11 ClCC1=C(Br)C=CS1 AT16718 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.11 ClCC1=C(Cl)C=CS1 AT16716 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.11 NCC1=C(Br)C=CS1 P10346 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.1 CCNC1=CC=C(C)N=N1 AT18438 [0,1,0,0,0,1|2,0,0]=4 240 B10R1.1 CCOC1=NC=C(O)C=C1 D75011 [0,1,0,0,0,1|1,0,0]=3 241 B10R1.1 [BH3-]C1=CN=C(OCC)N=C1 AC8964 [0,1,0,0,0,1|1,0,0]=3 242 B10R1.4 CCNC1=CC=CN=C1O F30124 [0,1,0,0,0,1|2,0,0]=4 243 B10R1.4 CCNC1=NC=CC=C1N AC7989 [0,1,0,0,0,1|2,0,0]=4 244 B10R1.4 CCNC1=NC=CN=C1Cl AT24639 [0,1,0,0,0,1|2,0,0]=4 245 B10R1.4 CCOC1=C(C)C=CN=C1 AC4346 [0,1,0,0,0,1|1,0,0]=3 246 B10R1.4 CCOC1=C(F)C=CC=N1 F53248 [0,1,0,0,0,1|1,0,0]=3 247 B10R1.4 CCOC1=C(N)N=CN=C1 O11423 [0,1,0,0,0,1|2,0,0]=4 248 B10R1.4 CCOC1=CC=CN=C1Cl W17868 [0,1,0,0,0,1|1,0,0]=3 249 B10R1.10 CCNC1=CN=CC(Cl)=N1 F15512 [0,1,0,0,0,1|2,0,0]=4 250 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [0,1,0,0,0,1|2,0,0]=4 251 B10R1.10 CCOC1=NC(N)=NC=C1 AT18300 [0,1,0,0,0,1|1,0,0]=3 252 B10R1.10 CCOC1=NC=CC(Br)=N1 70402 [0,1,0,0,0,1|1,0,0]=3 253 B10R1.10 CCOC1=NC=CC(Cl)=N1 I11353 [0,1,0,0,0,1|1,0,0]=3 254 B10R1.15 CCC(=O)C1=NC=CC=N1 D72036 [0,1,0,0,0,1|2,0,0]=4 255 B10R1.15 CCN(C)C1=NC=CC=C1 T72928 [0,1,0,0,0,1|2,0,0]=4 256 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10611 [0,1,0,0,0,1|2,0,0]=4 257 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P11367 [0,1,0,0,0,1|2,0,0]=4 258 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P15053 [0,1,0,0,0,1|2,0,0]=4 259 B10R1.17 CCCCC1=CC=CN=N1 O10974 [0,1,0,0,0,1|2,0,0]=4 260 B10R1.17 CNCCC1=CC=CN=C1 C73747 [0,1,0,0,0,1|2,0,0]=4 261 B10R1.17 NCCNC1=NC=CC=C1 O12009 [0,1,0,0,0,1|2,0,0]=4 262 B10R1.17 NCCNC1=NC=CC=N1 AT18241 [0,1,0,0,0,1|2,0,0]=4 263 B10R1.17 NCCOC1=NC=CC=N1 AT18221 [0,1,0,0,0,1|1,0,0]=3 264 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [0,1,0,0,0,1|2,0,0]=4 265 B10R1.17 OCCNC1=NC=CC=N1 AT18240 [0,1,0,0,0,1|2,0,0]=4 266 B10R1.17 OCCOC1=NC=CC=C1 C90307 [0,1,0,0,0,1|1,0,0]=3 267 B10R1.17 SCCCC1=CN=CC=C1 F18019 [0,1,0,0,0,1|2,0,0]=4 268 B10R1.17 SCCCC1=NC=CC=C1 F18728 [0,1,0,0,0,1|2,0,0]=4 269 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [0,1,0,0,0,1|2,0,0]=4 270 B10R1.16 CC1=CC=C(CCCN)S1 W12103 [0,2,0,0,0,0|2,0,0]=4 271 B10R1.16 CC1=CN=C(CCCN)N1 F17811 [0,2,0,0,0,0|2,0,0]=4 272 B10R1.16 COCCC1=NN=C(Br)S1 AT19528 [0,2,0,0,0,0|2,0,0]=4 273 B10R1.16 COCCC1=NN=C(N)S1 D77347 [0,2,0,0,0,0|2,0,0]=4 274 B10R1.54 CC(=O)NC1=NC(Cl)=CS1 F19659 [0,2,0,0,0,0|1,0,1]=4 275 B10R1.54 CC(C)CC1=NN=C(Br)S1 AT19526 [0,2,0,0,0,0|2,0,0]=4 276 B10R1.54 CC(C)CC1=NN=C(N)S1 F17068 [0,2,0,0,0,0|2,0,0]=4 277 B10R1.54 CC(C)OC1=NN=C(S)S1 AT18852 [0,2,0,0,0,0|1,0,0]=3 278 B10R1.54 CC(C)SC1=NN=C(S)S1 AT18946 [0,2,0,0,0,0|1,1,0]=4 279 B10R1.96 CCNC1=NC(CCl)=CS1 AT15306 [0,2,0,0,0,0|1,0,0]=3 280 B10R1.96 CCOC1=CC=C(C=O)O1 AT17093 [0,2,0,0,0,0|1,1,0]=4 281 B10R1.96 COCC1=NC(C=O)=CS1 AT15255 [0,2,0,0,0,0|2,0,0]=4 282 B10R1.96 COCC1=NC(CCl)=CS1 AT15298 [0,2,0,0,0,0|2,0,0]=4 283 B10R1.130 CCOC1=NN(C)C=C1N AT20109 [0,2,0,0,0,0|2,0,0]=4 284 B10R1.130 CCOC1=NN(C)C=C1N AT20114 [0,2,0,0,0,0|2,0,0]=4 285 B10R1.11 CCC[C@H](N)C1=CC=CS1 Y14857 [0,2,0,0,0,0|2,0,0]=4 286 B10R1.11 CCOC(=O)C1=NC=NS1 AC6985 [0,2,0,0,0,0|1,0,0]=3 287 B10R1.11 N[C@@H](CCO)C1=CC=CS1 N12967 [0,2,0,0,0,0|2,0,0]=4 288 B10R1.11 N[C@@H](CCO)C1=NC=CS1 N14689 [0,2,0,0,0,0|1,0,0]=3 289 B10R1.11 N[C@@H](CCO)C1=NC=CS1 N14690 [0,2,0,0,0,0|1,0,0]=3 290 B10R1.11 N[C@@H](CCO)C1=NC=CS1 N14691 [0,2,0,0,0,0|1,0,0]=3 291 B10R1.11 O=C(CCCl)C1=CC=CS1 D76604 [0,2,0,0,0,0|2,0,0]=4 292 B10R1.23 CC(C)[C@H](N)C1=NC=CS1 N14681 [0,2,0,0,0,0|1,0,0]=3 293 B10R1.23 CC(C)[C@H](N)C1=NC=CS1 N14682 [0,2,0,0,0,0|1,0,0]=3 294 B10R1.66 CN(C)CCC1=NC=CN1 AC8612 [0,2,0,0,0,0|2,0,0]=4 295 B10R1.66 O=C(O)CSC1=NC=CS1 AT14881 [0,2,0,0,0,0|0,1,1]=4 296 B8R1.18 CC1=C(C)OC(S)=N1 AT18536 [0,0,1,1,0,0|0,0,2]=4 297 B10R2.6 C1=CN=C(C2CC2)N=C1 P12514 [0,0,0,1,0,1|2,0,0]=4 298 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [0,0,0,1,0,1|2,0,0]=4 299 B10R2.7 C1=CN=C2NCCC2=N1 P20982 [0,0,0,1,0,1|2,0,0]=4 300 B10R2.7 C1=NC=C2CCNC2=N1 93647 [0,0,0,1,0,1|2,0,0]=4 301 B10R2.7 C1=NC=C2CCNC2=N1 C90715 [0,0,0,1,0,1|2,0,0]=4 302 B10R2.14 BrC1=CSC(C2CC2)=N1 AT14896 [0,1,0,1,0,0|1,0,0]=3 303 B10R2.14 NC1=NSC(C2CC2)=N1 AT11905 [0,1,0,1,0,0|2,0,0]=4 304 B10R2.14 SC1=NN=C(C2CC2)S1 AT18954 [0,1,0,1,0,0|2,0,0]=4 305 B10R2.16 NC1(C2=CC=CS2)CC1 E10038 [0,1,0,1,0,0|2,0,0]=4 306 B10R2.16 NC1(C2=CC=CS2)CC1 E10040 [0,1,0,1,0,0|2,0,0]=4 307 B10R2.16 NC1(C2=NN=CS2)CC1 AT10564 [0,1,0,1,0,0|2,0,0]=4