0 B9R1.8 BrC#CC1=CN=CC=C1 50128 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.8 BrC#CC1=NC=CC=C1 94426 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.8 BrCCC1=CN=CC=C1 C77647 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.8 CCCC1=CC=CN=C1 O11051 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.8 CCNC1=NC=CN=C1 C76036 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.8 CNCC1=CN=CN=C1 38577 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.8 CNCC1=NC=CC=N1 27199 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.8 CNCC1=NC=CC=N1 72796 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.8 CNCC1=NC=NC=C1 C14477 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.8 CNNC1=CC=CC=C1 C77159 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.8 FCCC1=CC=CC=C1 75534 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.8 NCCC1=CC=CC=C1 T71816 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.8 NCCC1=CC=CC=C1 T72591 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.8 NCCC1=NC=CC=N1 83201 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.8 NCCC1=NC=CC=N1 P10852 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.8 NCCC1=NC=CN=C1 AT22557 [0,0,0,0,0,0|1,0,0]=1 17 B9R1.8 NCCC1=NC=NC=C1 P10950 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.8 NNCC1=NC=CC=C1 P10521 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.8 NNCC1=NC=CN=C1 D78817 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.8 NNCC1=NC=CN=C1 P19174 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.8 OCCC1=CC=NC=C1 T72404 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.8 OCCC1=NN=CC=C1 D77083 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.8 S=C=NC1=NC=CC=C1 C11368 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.8 SCCC1=NC=CC=C1 F18309 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.8 [C-]#[N+]CC1=CN=CC=C1 F16136 [0,0,0,0,0,0|2,0,1]=3 26 B8R1.2 BrCC1=CN=CN=C1 F52462 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.2 BrCC1=NC=CC=N1 D79434 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.2 C=CC1=CC=CN=C1 71366 [1,0,0,0,0,0|1,0,2]=4 29 B8R1.2 C=CC1=NC=CN=C1 T72447 [1,0,0,0,0,0|0,0,2]=3 30 B8R1.2 CNC1=CC=CN=N1 79165 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.2 CSC1=NC=CC=N1 O10841 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.2 ClCC1=NC=NC=C1 A10562 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.2 NCC1=CC=CC=C1 T70846 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.2 SCC1=NC=CN=C1 78318 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.1 CC1=CN=C(CCN)N=C1 AT18271 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.1 CC1=NC=C(CC#N)C=C1 54748 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.1 CC1=NC=C(CNN)C=C1 F15210 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.1 CCNC1=CC=C(C)N=N1 AT18438 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.1 CCOC1=NC=C(O)C=C1 D75011 [0,1,0,0,0,0|2,0,0]=3 40 B10R1.1 CNCC1=NC=C(Br)C=N1 AT18380 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.1 CNCC1=NC=C(Cl)C=C1 AT26664 [0,1,0,0,0,0|2,0,0]=3 42 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.1 N#CCC1=CN=C(Cl)C=N1 95162 [0,1,0,0,0,0|1,0,1]=3 45 B10R1.1 N#CCC1=NC=C(F)C=C1 O10489 [0,1,0,0,0,0|2,0,1]=4 46 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.1 NCCC1=NC=C(Br)C=C1 P10593 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.1 O=C1N=CC(CCO)=CN1 AT18210 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.1 OCCC1=CN=C(Br)C=C1 AC9473 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.1 OCCC1=CN=C(F)C=C1 AC9525 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.1 OCCC1=CN=C(S)N=C1 AT18279 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.1 [BH3-]C1=CN=C(OCC)N=C1 AC8964 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.4 CC1=CC=CN=C1CC#N C90297 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.4 CC1=NC=CN=C1\C=N/O N10113 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.4 CCCC1=CN=CN=C1Cl F11792 [0,1,0,0,0,0|2,0,0]=3 57 B10R1.4 CCNC1=C(F)C=CC=C1 D87863 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.4 CCNC1=CC=CN=C1O F30124 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.4 CCNC1=NC=CC=C1N AC7989 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.4 CCNC1=NC=CN=C1Cl AT24639 [0,1,0,0,0,0|1,0,0]=2 61 B10R1.4 CCOC1=C(C)C=CN=C1 AC4346 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.4 CCOC1=C(F)C=CC=N1 F53248 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.4 CCOC1=C(N)N=CN=C1 O11423 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.4 CCOC1=CC=CN=C1Cl W17868 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.4 CCSC1=C(Br)C=CC=C1 AT20838 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.4 CCSC1=C(O)C=CC=C1 AT20889 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.4 CNCC1=C(F)C=CC=N1 P10655 [0,1,0,0,0,0|2,0,0]=3 68 B10R1.4 CNCC1=C(F)C=CC=N1 P20450 [0,1,0,0,0,0|2,0,0]=3 69 B10R1.4 CNCC1=C(N)C=CC=C1 F13330 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.4 NC1=C(CCF)C=NC=C1 P14647 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.4 NCCN1C=CC=NC1=O AT13871 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.4 NCCN1C=NC=CC1=O AT13878 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.4 O=C1C=CN=CN1CCO AT13876 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.10 CC#CC1=CC=CC(Cl)=N1 94007 [0,1,0,0,0,0|1,0,2]=4 75 B10R1.10 CC1=CC=CC(CCBr)=N1 AC6969 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.10 CC1=CC=CC(CCN)=N1 P19093 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.10 CCNC1=CC=CC(Cl)=C1 L10102 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.10 CCNC1=CC=CC(O)=C1 F16135 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.10 CCNC1=CN=CC(Cl)=N1 F15512 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.10 CCOC1=NC(N)=NC=C1 AT18300 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.10 CCOC1=NC=CC(Br)=N1 70402 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.10 CCOC1=NC=CC(Cl)=N1 I11353 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.10 CCSC1=CC(N)=CC=C1 AT20857 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.10 CNCC1=NC(C)=CC=C1 D87644 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.10 CNCC1=NC=CC(Cl)=C1 CS1254 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.10 COCC1=CC(N)=CC=C1 30379 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.10 COCC1=NC=NC(N)=C1 92042 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.10 N#CCC1=CC(Cl)=CN=C1 93159 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.10 N#CCC1=CC=CC(Cl)=N1 O10491 [0,1,0,0,0,0|2,0,1]=4 93 B10R1.10 NC1=CC(CCO)=NC=N1 AC8190 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.10 NCCC1=CC=CC(I)=C1 C78608 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.10 NNCC1=CC(Br)=CN=C1 P11105 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.15 C#C[C@@H](O)C1=CN=CC=C1 AC5787 [0,1,0,0,0,0|1,0,2]=4 97 B10R1.15 C#C[C@@H](O)C1=NC=CC=C1 AC5788 [0,1,0,0,0,0|1,0,2]=4 98 B10R1.15 CCC(=O)C1=NC=CC=N1 D72036 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.15 CCN(C)C1=NC=CC=C1 T72928 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10611 [0,1,0,0,0,0|1,0,0]=2 102 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P11367 [0,1,0,0,0,0|0,0,0]=1 103 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P15053 [0,1,0,0,0,0|0,0,0]=1 104 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [0,1,0,0,0,0|2,0,1]=4 106 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [0,1,0,0,0,0|2,0,1]=4 107 B10R1.15 NC[C@H](O)C1=CN=CC=C1 33361 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12120 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12118 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12119 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12430 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.15 O=C(CO)C1=CN=CC=C1 AC2803 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.15 O[C@@H](CCl)C1=CN=CC=C1 Y10944 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.17 CCCCC1=CC=CN=N1 O10974 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.17 CNCCC1=CC=CN=C1 C73747 [0,1,0,0,0,0|1,0,0]=2 116 B10R1.17 CNCCC1=CC=NC=C1 AR1715 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.17 CNNCC1=NC=CC=C1 30190 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.17 FCCNC1=CC=CC=C1 D77931 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.17 NCCNC1=NC=CC=C1 O12009 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.17 NCCNC1=NC=CC=N1 AT18241 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.17 NCCOC1=NC=CC=N1 AT18221 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.17 NOCCC1=CC=CC=C1 C10179 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [0,1,0,0,0,0|1,0,1]=3 125 B10R1.17 O=CNCC1=NC=CC=C1 AC6369 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.17 OCCCC1=CCC=CC1 72320 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [0,1,0,0,0,0|1,0,0]=2 128 B10R1.17 OCCNC1=NC=CC=N1 AT18240 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.17 OCCOC1=NC=CC=C1 C90307 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.17 SCCCC1=CN=CC=C1 F18019 [0,1,0,0,0,0|1,0,0]=2 131 B10R1.17 SCCCC1=NC=CC=C1 F18728 [0,1,0,0,0,0|1,0,0]=2 132 B10R1.18 CC(C)CC1=CC=NC=C1 AC2809 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.18 C[C@H](N)CC1=CC=NC=C1 F11581 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [0,1,0,0,0,0|2,0,0]=3 138 B10R2.6 C1=CC(C2CC2)=CC=N1 59829 [0,0,0,1,0,0|3,0,0]=4 139 B10R2.6 C1=CN=C(C2CC2)N=C1 P12514 [0,0,0,1,0,0|2,0,0]=3 140 B10R2.7 C1=CN=C2CNCC2=N1 F12463 [0,0,0,1,0,0|1,0,0]=2 141 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [0,0,0,1,0,0|2,0,0]=3 142 B10R2.7 C1=CN=C2NCCC2=N1 P20982 [0,0,0,1,0,0|1,0,0]=2 143 B10R2.7 C1=NC=C2CCNC2=N1 93647 [0,0,0,1,0,0|3,0,0]=4 144 B10R2.7 C1=NC=C2CCNC2=N1 C90715 [0,0,0,1,0,0|3,0,0]=4 145 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [0,0,0,1,0,0|3,0,0]=4 146 B8R1.8 BrCCC1=CC=CS1 F20027 [0,0,0,0,1,0|2,0,0]=3 147 B8R1.8 BrCCC1=CNN=C1 F14413 [0,0,0,0,1,0|2,0,0]=3 148 B8R1.8 BrCCN1C=NC=N1 AC6818 [0,0,0,0,1,0|2,0,0]=3 149 B8R1.8 BrCCN1C=NC=N1 AT12109 [0,0,0,0,1,0|2,0,0]=3 150 B8R1.8 C#CCN1C=NC=N1 N10419 [0,0,0,0,1,0|1,0,2]=4 151 B8R1.8 CCCC1=NCCO1 T72500 [0,0,0,0,1,0|1,0,2]=4 152 B8R1.8 CCNC1=NC=NN1 AT21327 [0,0,0,0,1,0|2,0,0]=3 153 B8R1.8 CCNC1=NN=CO1 AT18792 [0,0,0,0,1,0|3,0,0]=4 154 B8R1.8 CNCC1=CC=NN1 27042 [0,0,0,0,1,0|2,0,0]=3 155 B8R1.8 CNCC1=CC=NN1 AT10969 [0,0,0,0,1,0|2,0,0]=3 156 B8R1.8 CNCC1=CN=CS1 71400 [0,0,0,0,1,0|2,0,0]=3 157 B8R1.8 CNCC1=CSC=C1 AT16803 [0,0,0,0,1,0|2,0,0]=3 158 B8R1.8 CNCC1=CSC=N1 AT10976 [0,0,0,0,1,0|2,0,0]=3 159 B8R1.8 CNCC1=CSC=N1 AT14743 [0,0,0,0,1,0|2,0,0]=3 160 B8R1.8 CNCC1=NC=CN1 W10149 [0,0,0,0,1,0|1,0,1]=3 161 B8R1.8 CNCC1=NC=CS1 AT10974 [0,0,0,0,1,0|2,0,0]=3 162 B8R1.8 CNCC1=NNC=C1 F31265 [0,0,0,0,1,0|2,0,0]=3 163 B8R1.8 CNCC1=NOC=C1 AT10962 [0,0,0,0,1,0|2,0,0]=3 164 B8R1.8 COCC1=NC=CN1 P10070 [0,0,0,0,1,0|1,0,1]=3 165 B8R1.8 COCC1=NNC=N1 AT12266 [0,0,0,0,1,0|2,0,0]=3 166 B8R1.8 ClCCC1=CNC=N1 D82567 [0,0,0,0,1,0|1,0,1]=3 167 B8R1.8 ClCCC1=CNN=C1 AC2763 [0,0,0,0,1,0|2,0,0]=3 168 B8R1.8 ClCCC1=NN=NN1 24987 [0,0,0,0,1,0|3,0,0]=4 169 B8R1.8 N#CCC1=CC=NO1 AC6956 [0,0,0,0,1,0|2,0,1]=4 170 B8R1.8 N#CCC1=CN=CS1 97777 [0,0,0,0,1,0|2,0,1]=4 171 B8R1.8 N#CCC1=CON=C1 AT21053 [0,0,0,0,1,0|2,0,1]=4 172 B8R1.8 N#CCC1=NC=CN1 F17294 [0,0,0,0,1,0|1,0,2]=4 173 B8R1.8 N#CCC1=NSN=C1 AT12130 [0,0,0,0,1,0|2,0,1]=4 174 B8R1.8 N#CCN1N=CC=N1 D87974 [0,0,0,0,1,0|2,0,1]=4 175 B8R1.8 NCCC1=CN=CN1 S10979 [0,0,0,0,1,0|1,0,1]=3 176 B8R1.8 NCCC1=CNN=C1 AC1363 [0,0,0,0,1,0|2,0,0]=3 177 B8R1.8 NCCC1=CNN=C1 D85886 [0,0,0,0,1,0|2,0,0]=3 178 B8R1.8 NCCC1=COC=N1 AT18667 [0,0,0,0,1,0|2,0,0]=3 179 B8R1.8 NCCC1=NC=CS1 F51904 [0,0,0,0,1,0|2,0,0]=3 180 B8R1.8 NCCC1=NNC=C1 AC2815 [0,0,0,0,1,0|2,0,0]=3 181 B8R1.8 NCCN1C=CC=N1 AT10968 [0,0,0,0,1,0|2,0,0]=3 182 B8R1.8 NCCN1C=CN=N1 C90622 [0,0,0,0,1,0|3,0,0]=4 183 B8R1.8 NCCN1C=NN=C1 AT12145 [0,0,0,0,1,0|3,0,0]=4 184 B8R1.8 NNCC1=CC=CS1 P10519 [0,0,0,0,1,0|3,0,0]=4 185 B8R1.8 NNCC1=CSC=C1 P10771 [0,0,0,0,1,0|3,0,0]=4 186 B8R1.8 O=CCC1=CC=CS1 O10539 [0,0,0,0,1,0|2,0,1]=4 187 B8R1.8 O=CCC1=NC=CS1 D88143 [0,0,0,0,1,0|2,0,1]=4 188 B8R1.8 OCCN1C=CN=N1 N16844 [0,0,0,0,1,0|3,0,0]=4 189 B7R0.1 C=CC\C=C\CCC T72633 [1,0,1,0,0,0|1,0,0]=3 190 B7R1.3 [2H]C1=NC=CC=C1 D98277 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.1 C#CC1=CN=C(Br)C=N1 AC9603 [1,1,0,0,0,0|0,0,2]=4 192 B9R1.1 CC1=NC=C(CBr)C=C1 F52459 [1,1,0,0,0,0|2,0,0]=4 193 B9R1.1 CC1=NC=C(CCl)C=C1 D87733 [1,1,0,0,0,0|2,0,0]=4 194 B9R1.1 CNC1=NC=C(N)C=C1 Y13586 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.1 COC1=CN=C(I)C=C1 F17075 [1,1,0,0,0,0|2,0,0]=4 196 B9R1.1 COC1=CN=C(I)C=N1 D75305 [1,1,0,0,0,0|1,0,0]=3 197 B9R1.1 CSC1=NC=C(N)C=C1 D73901 [1,1,0,0,0,0|2,0,0]=4 198 B9R1.1 CSC1=NC=C(N)N=C1 92096 [1,1,0,0,0,0|1,0,0]=3 199 B9R1.1 ClC1=CN=C(CBr)C=C1 S12201 [1,1,0,0,0,0|2,0,0]=4 200 B9R1.1 ClC1=CN=C(CBr)C=N1 95144 [1,1,0,0,0,0|1,0,0]=3 201 B9R1.1 ClCC1=CN=C(Cl)C=C1 W18630 [1,1,0,0,0,0|2,0,0]=4 202 B9R1.1 FC1=CN=C(CCl)C=C1 P19178 [1,1,0,0,0,0|2,0,0]=4 203 B9R1.1 NC1=NC=C(CCl)C=C1 AT22351 [1,1,0,0,0,0|2,0,0]=4 204 B9R1.1 NCC1=CN=C(Br)C=N1 F30506 [1,1,0,0,0,0|1,0,0]=3 205 B9R1.1 NCC1=NC=C(F)C=C1 83593 [1,1,0,0,0,0|2,0,0]=4 206 B9R1.1 NCC1=NC=C(I)C=C1 C91084 [1,1,0,0,0,0|2,0,0]=4 207 B9R1.1 NNC1=CN=C(Br)C=N1 I11308 [1,1,0,0,0,0|2,0,0]=4 208 B9R1.1 O=CC1=CN=C(F)C=N1 P15039 [1,1,0,0,0,0|1,0,1]=4 209 B9R1.2 CC1=CC(CBr)=CN=C1 43925 [1,1,0,0,0,0|2,0,0]=4 210 B9R1.2 CC1=CN=CC(CCl)=N1 O10514 [1,1,0,0,0,0|1,0,0]=3 211 B9R1.2 CC1=CN=CC(CCl)=N1 Y10493 [1,1,0,0,0,0|1,0,0]=3 212 B9R1.2 CC1=CN=CC(CO)=N1 O10143 [1,1,0,0,0,0|1,0,0]=3 213 B9R1.2 CCC1=CC(Cl)=NN=C1 S11387 [1,1,0,0,0,0|2,0,0]=4 214 B9R1.2 CCC1=NC=CC(Cl)=N1 W12562 [1,1,0,0,0,0|2,0,0]=4 215 B9R1.2 CNC1=NC=CC(N)=C1 F12690 [1,1,0,0,0,0|2,0,0]=4 216 B9R1.2 COC1=CN=CC(N)=C1 P11509 [1,1,0,0,0,0|2,0,0]=4 217 B9R1.2 CSC1=CC(Cl)=CN=C1 AT19857 [1,1,0,0,0,0|2,0,0]=4 218 B9R1.2 CSC1=CN=CC(Cl)=N1 AT24641 [1,1,0,0,0,0|1,0,0]=3 219 B9R1.2 CSC1=NN=CC(C)=N1 AT21837 [1,1,0,0,0,0|2,0,0]=4 220 B9R1.2 ClCC1=NC=CC(Cl)=C1 C13998 [1,1,0,0,0,0|2,0,0]=4 221 B9R1.2 FC1=CC(CCl)=CN=C1 O10881 [1,1,0,0,0,0|2,0,0]=4 222 B9R1.2 NCC1=CC(Br)=CN=C1 F19818 [1,1,0,0,0,0|2,0,0]=4 223 B9R1.2 NCC1=CC=CC(Cl)=N1 C72946 [1,1,0,0,0,0|2,0,0]=4 224 B9R1.2 NCC1=CC=CC(O)=N1 F10425 [1,1,0,0,0,0|2,0,0]=4 225 B9R1.2 NCC1=NC=CC(Br)=C1 26892 [1,1,0,0,0,0|2,0,0]=4 226 B9R1.2 NCC1=NC=CC(F)=C1 C71953 [1,1,0,0,0,0|2,0,0]=4 227 B9R1.2 NCC1=NC=CC(N)=C1 77886 [1,1,0,0,0,0|2,0,0]=4 228 B9R1.6 C[C@H](Br)C1=NC=CN=C1 C77147 [1,1,0,0,0,0|0,0,0]=2 229 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13293 [1,1,0,0,0,0|1,0,0]=3 230 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [1,1,0,0,0,0|1,0,0]=3 231 B9R1.6 C[C@H](N)C1=CN=CN=C1 P14618 [1,1,0,0,0,0|2,0,0]=4 232 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [1,1,0,0,0,0|1,0,0]=3 233 B9R1.6 C[C@H](N)C1=NC=CC=N1 72045 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93141 [1,1,0,0,0,0|0,0,0]=2 235 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93144 [1,1,0,0,0,0|0,0,0]=2 236 B9R1.6 C[C@H](N)C1=NC=NC=C1 N10689 [1,1,0,0,0,0|2,0,0]=4 237 B9R1.6 C[C@H](N)C1=NC=NC=C1 P10880 [1,1,0,0,0,0|2,0,0]=4 238 B9R1.6 C[C@H](O)C1=NC=NC=C1 AT18318 [1,1,0,0,0,0|2,0,0]=4 239 B9R1.15 C#CC1=NC=CN=C1Cl N13059 [1,1,0,0,0,0|0,0,2]=4 240 B9R1.15 CC1=C(CBr)C=CC=N1 FD9046 [1,1,0,0,0,0|2,0,0]=4 241 B9R1.15 CC1=C(CBr)C=CC=N1 P11218 [1,1,0,0,0,0|2,0,0]=4 242 B9R1.15 CC1=C(CCl)C=CC=N1 P10970 [1,1,0,0,0,0|2,0,0]=4 243 B9R1.15 CC1=C(CCl)C=NC=C1 P10971 [1,1,0,0,0,0|2,0,0]=4 244 B9R1.15 CC1=CC=CN=C1CBr D97530 [1,1,0,0,0,0|2,0,0]=4 245 B9R1.15 CC1=NC=CN=C1CCl P17257 [1,1,0,0,0,0|1,0,0]=3 246 B9R1.15 CC1=NC=CN=C1CN 38702 [1,1,0,0,0,0|1,0,0]=3 247 B9R1.15 CCC1=C(Br)C=CN=C1 H11182 [1,1,0,0,0,0|1,0,0]=3 248 B9R1.15 CCC1=C(N)N=NC=C1 S11451 [1,1,0,0,0,0|2,0,0]=4 249 B9R1.15 CCC1=CC=CN=C1C 75814 [1,1,0,0,0,0|1,0,0]=3 250 B9R1.15 CCC1=CN=CN=C1O C15413 [1,1,0,0,0,0|2,0,0]=4 251 B9R1.15 COC1=C(Br)C=CN=C1 F10479 [1,1,0,0,0,0|2,0,0]=4 252 B9R1.15 ClC1=CC=CN=C1CBr 79180 [1,1,0,0,0,0|2,0,0]=4 253 B9R1.15 ClC1=CC=CN=C1CBr 86640 [1,1,0,0,0,0|2,0,0]=4 254 B9R1.15 ClCC1=CC=CN=C1Br 55187 [1,1,0,0,0,0|2,0,0]=4 255 B9R1.15 FC1=C(CBr)C=CC=N1 AT20654 [1,1,0,0,0,0|2,0,0]=4 256 B9R1.15 NC1=C(CCl)C=CC=N1 89794 [1,1,0,0,0,0|2,0,0]=4 257 B9R1.15 NCC1=C(Cl)C=CN=C1 C11073 [1,1,0,0,0,0|2,0,0]=4 258 B9R1.15 NCC1=C(F)C=CN=C1 C90218 [1,1,0,0,0,0|2,0,0]=4 259 B9R1.15 NCC1=C(O)C=CC=N1 C73700 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.15 NCC1=C(O)C=CN=C1 AT18117 [1,1,0,0,0,0|2,0,0]=4 261 B9R1.15 NCC1=CC=CN=C1Cl 37571 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.15 NCC1=CC=CN=C1N CL0345 [1,1,0,0,0,0|2,0,0]=4 263 B9R1.15 OCC1=C(F)C=CN=C1 P11878 [1,1,0,0,0,0|2,0,0]=4 264 B9R1.7 BrCCN1C=NC(Br)=N1 AT21300 [0,1,0,0,1,0|2,0,0]=4 265 B9R1.7 CC1=CC=C(CCN)S1 31616 [0,1,0,0,1,0|2,0,0]=4 266 B9R1.7 CC1=CNC(CCN)=N1 F17871 [0,1,0,0,1,0|1,0,1]=4 267 B9R1.7 CC1=CSC(CCN)=C1 96997 [0,1,0,0,1,0|2,0,0]=4 268 B9R1.7 CC1=NC(CCN)=CO1 AT18664 [0,1,0,0,1,0|2,0,0]=4 269 B9R1.7 CC1=NNC(CCN)=N1 AT12330 [0,1,0,0,1,0|2,0,0]=4 270 B9R1.7 CCCC1=CC(=O)NO1 AC2645 [0,1,0,0,1,0|1,0,1]=4 271 B9R1.7 CCCC1=COC(Br)=N1 AT18459 [0,1,0,0,1,0|1,0,0]=3 272 B9R1.7 CCCC1=NC(Br)=NN1 AT12133 [0,1,0,0,1,0|1,0,0]=3 273 B9R1.7 CCCC1=NN=C(S)O1 AT18828 [0,1,0,0,1,0|2,0,0]=4 274 B9R1.7 CCCN1C=C(N)N=N1 32738 [0,1,0,0,1,0|2,0,0]=4 275 B9R1.7 CCCN1C=CC(O)=N1 AC6302 [0,1,0,0,1,0|1,0,0]=3 276 B9R1.7 CCCN1C=NC(Br)=C1 32861 [0,1,0,0,1,0|1,0,0]=3 277 B9R1.7 CCCN1N=CC(N)=N1 AT21823 [0,1,0,0,1,0|1,0,0]=3 278 B9R1.7 CCOC1=CC(N)=NN1 76280 [0,1,0,0,1,0|2,0,0]=4 279 B9R1.7 CCOC1=CC(N)=NN1 D70001 [0,1,0,0,1,0|2,0,0]=4 280 B9R1.7 CCOC1=NC(N)=NS1 AT11907 [0,1,0,0,1,0|2,0,0]=4 281 B9R1.7 CCOC1=NNC(Br)=C1 P14561 [0,1,0,0,1,0|2,0,0]=4 282 B9R1.7 CCSC1=NC(C)=CS1 H11517 [0,1,0,0,1,0|2,0,0]=4 283 B9R1.7 CN1C=CC(CCO)=N1 AT15991 [0,1,0,0,1,0|2,0,0]=4 284 B9R1.7 CN1C=NC(CCO)=C1 AT15589 [0,1,0,0,1,0|1,0,1]=4 285 B9R1.7 CNCC1=CC(C)=NO1 C15741 [0,1,0,0,1,0|2,0,0]=4 286 B9R1.7 CNCC1=CC=C(C)S1 75578 [0,1,0,0,1,0|2,0,0]=4 287 B9R1.7 CNCC1=CN(C)N=C1 P14032 [0,1,0,0,1,0|2,0,0]=4 288 B9R1.7 CNCC1=CNC(Br)=C1 F13038 [0,1,0,0,1,0|1,0,1]=4 289 B9R1.7 CNCC1=CSC(C)=N1 F30719 [0,1,0,0,1,0|2,0,0]=4 290 B9R1.7 CNCC1=NC(C)=CS1 70492 [0,1,0,0,1,0|2,0,0]=4 291 B9R1.7 CNCC1=NN(C)C=C1 AT14334 [0,1,0,0,1,0|2,0,0]=4 292 B9R1.7 COCC1=CN=C(N)S1 C77468 [0,1,0,0,1,0|2,0,0]=4 293 B9R1.7 COCC1=CSC(N)=N1 80901 [0,1,0,0,1,0|2,0,0]=4 294 B9R1.7 COCC1=NC(C)=NN1 AT21382 [0,1,0,0,1,0|2,0,0]=4 295 B9R1.7 COCC1=NNC(Br)=N1 AT12564 [0,1,0,0,1,0|2,0,0]=4 296 B9R1.7 COCC1=NNC(C)=N1 AT21386 [0,1,0,0,1,0|2,0,0]=4 297 B9R1.7 COCC1=NNC(N)=N1 AT12258 [0,1,0,0,1,0|2,0,0]=4 298 B9R1.7 COCN1C=NC(N)=N1 AT12105 [0,1,0,0,1,0|2,0,0]=4 299 B9R1.7 FCCN1C=C(I)C=N1 AC9590 [0,1,0,0,1,0|2,0,0]=4 300 B9R1.7 NC1=NN(CCO)C=N1 AT11948 [0,1,0,0,1,0|2,0,0]=4 301 B9R1.7 NCCC1=CN=C(O)S1 S10248 [0,1,0,0,1,0|2,0,0]=4 302 B9R1.7 NCCC1=NC=C(Br)S1 AT14710 [0,1,0,0,1,0|2,0,0]=4 303 B9R1.7 NCCC1=NNC(N)=N1 AT12272 [0,1,0,0,1,0|2,0,0]=4 304 B9R1.7 NCCN1C=C(Br)C=N1 AT16015 [0,1,0,0,1,0|2,0,0]=4 305 B9R1.7 OCCN1C=NC(Br)=N1 AT11959 [0,1,0,0,1,0|2,0,0]=4 306 B9R1.7 OCCN1C=NC(Cl)=N1 AT12219 [0,1,0,0,1,0|2,0,0]=4 307 B9R1.11 CC[C@H](N)C1=COC=C1 N16720 [0,1,0,0,1,0|1,0,0]=3 308 B9R1.11 CC[C@H](N)C1=COC=C1 N16721 [0,1,0,0,1,0|1,0,0]=3 309 B9R1.11 CC[C@H](N)C1=COC=C1 N16722 [0,1,0,0,1,0|1,0,0]=3 310 B9R1.11 CC[C@H](N)C1=CSC=N1 N14434 [0,1,0,0,1,0|1,0,0]=3 311 B9R1.11 CC[C@H](N)C1=NC=CS1 N14679 [0,1,0,0,1,0|1,0,0]=3 312 B9R1.11 CC[C@H](N)C1=NC=CS1 N14680 [0,1,0,0,1,0|1,0,0]=3 313 B9R1.11 CN[C@@H](C)C1=CSC=N1 F14265 [0,1,0,0,1,0|2,0,0]=4 314 B9R1.11 CN[C@@H](C)C1=NC=CS1 AT10975 [0,1,0,0,1,0|2,0,0]=4 315 B9R1.11 CN[C@@H](C)C1=NOC=C1 AT10964 [0,1,0,0,1,0|2,0,0]=4 316 B9R1.11 C[C@@H](CCl)N1C=NC=N1 AT12261 [0,1,0,0,1,0|2,0,0]=4 317 B9R1.11 C[C@@H](CO)N1C=NC=N1 AT12260 [0,1,0,0,1,0|2,0,0]=4 318 B9R1.11 N[C@@H](CO)C1=CC=CO1 C78116 [0,1,0,0,1,0|2,0,0]=4 319 B9R1.11 N[C@@H](CO)C1=COC=C1 N16732 [0,1,0,0,1,0|2,0,0]=4 320 B9R1.11 N[C@@H](CO)C1=CSC=C1 N13030 [0,1,0,0,1,0|2,0,0]=4 321 B9R1.11 N[C@@H](CO)C1=CSC=N1 N14696 [0,1,0,0,1,0|2,0,0]=4 322 B9R1.11 N[C@@H](CO)C1=CSC=N1 N14697 [0,1,0,0,1,0|2,0,0]=4 323 B9R1.11 N[C@@H](CO)C1=NC=CS1 N14686 [0,1,0,0,1,0|2,0,0]=4 324 B9R1.11 N[C@@H](CO)C1=NC=CS1 N14688 [0,1,0,0,1,0|2,0,0]=4 325 B9R1.12 BrCCCN1C=CN=N1 AC4640 [0,1,0,0,1,0|2,0,0]=4 326 B9R1.12 BrCCCN1C=NC=N1 AC9760 [0,1,0,0,1,0|1,0,0]=3 327 B9R1.12 CNCCC1=CC=CS1 AT16732 [0,1,0,0,1,0|1,0,0]=3 328 B9R1.12 CNCCC1=CN=CN1 D86292 [0,1,0,0,1,0|0,0,1]=3 329 B9R1.12 CNCCN1C=NC=N1 D76610 [0,1,0,0,1,0|1,0,0]=3 330 B9R1.12 ClCCCN1C=CN=C1 C75518 [0,1,0,0,1,0|1,0,0]=3 331 B9R1.12 ICCCC1=CC=CS1 AC6959 [0,1,0,0,1,0|1,0,0]=3 332 B9R1.12 N#CCCC1=CNC=N1 AT26027 [0,1,0,0,1,0|0,0,2]=4 333 B9R1.12 N#CCCN1N=CC=N1 74892 [0,1,0,0,1,0|1,0,1]=4 334 B9R1.12 NCCCC1=NC=CN1 F10426 [0,1,0,0,1,0|0,0,1]=3 335 B9R1.12 NCCCC1=NN=CS1 AT18988 [0,1,0,0,1,0|2,0,0]=4 336 B9R1.12 NCCCN1C=CN=N1 74891 [0,1,0,0,1,0|2,0,0]=4 337 B9R1.12 NCCCN1C=NC=N1 AT12359 [0,1,0,0,1,0|1,0,0]=3 338 B9R1.12 NCCCN1C=NN=C1 AC7163 [0,1,0,0,1,0|2,0,0]=4 339 B9R1.12 NCCCN1C=NN=C1 AT12151 [0,1,0,0,1,0|2,0,0]=4 340 B9R1.12 NCCCN1N=CC=N1 74610 [0,1,0,0,1,0|1,0,0]=3 341 B9R1.12 O=CCCN1C=CC=N1 H11819 [0,1,0,0,1,0|1,0,1]=4 342 B9R1.12 OCCCC1=CON=C1 C14065 [0,1,0,0,1,0|1,0,0]=3 343 B9R1.12 OCCNC1=NC=CS1 AT14889 [0,1,0,0,1,0|2,0,0]=4 344 B9R1.13 CC(=O)CC1=CSC=C1 66590 [0,1,0,0,1,0|1,0,1]=4 345 B9R1.13 CC(=O)CN1C=CC=N1 AT23998 [0,1,0,0,1,0|1,0,1]=4 346 B9R1.13 CC(=O)CN1C=NC=N1 F50411 [0,1,0,0,1,0|1,0,1]=4 347 B9R1.13 CC(=O)CN1N=CC=N1 AT15940 [0,1,0,0,1,0|1,0,1]=4 348 B9R1.13 C[C@H](N)CC1=COC=C1 89732 [0,1,0,0,1,0|1,0,0]=3 349 B9R1.13 C[C@H](N)CC1=COC=C1 89733 [0,1,0,0,1,0|1,0,0]=3 350 B9R1.13 C[C@H](N)CC1=COC=C1 89734 [0,1,0,0,1,0|1,0,0]=3 351 B9R1.13 C[C@H](N)CC1=CSC=C1 89730 [0,1,0,0,1,0|1,0,0]=3 352 B9R1.13 C[C@H](N)CC1=NNC=C1 I11135 [0,1,0,0,1,0|1,0,0]=3 353 B9R1.13 C[C@H](N)CN1C=NC=N1 AT12353 [0,1,0,0,1,0|1,0,0]=3 354 B9R1.13 C[C@H](O)CC1=CC=CO1 W11911 [0,1,0,0,1,0|1,0,0]=3 355 B9R1.13 C[C@H](O)CC1=CSC=C1 58210 [0,1,0,0,1,0|1,0,0]=3 356 B9R1.13 C[C@H](O)CC1=CSC=C1 58214 [0,1,0,0,1,0|1,0,0]=3 357 B9R1.13 C[C@H](O)CC1=CSC=C1 58218 [0,1,0,0,1,0|1,0,0]=3 358 B9R1.33 CC1=C(CCCl)SC=N1 T71110 [0,1,0,0,1,0|2,0,0]=4 359 B9R1.33 CC1=C(CCN)N=CN1 C15676 [0,1,0,0,1,0|1,0,1]=4 360 B9R1.33 CC1=C(CCN)N=CO1 AT18666 [0,1,0,0,1,0|2,0,0]=4 361 B9R1.33 CC1=C(CCN)SC=N1 D84303 [0,1,0,0,1,0|2,0,0]=4 362 B9R1.33 CCCC1=CNNC1=N W18035 [0,1,0,0,1,0|1,0,1]=4 363 B9R1.33 CCCN1C=CN=C1Br AT15598 [0,1,0,0,1,0|1,0,0]=3 364 B9R1.33 CCCN1C=CN=C1S AT15644 [0,1,0,0,1,0|1,0,0]=3 365 B9R1.33 CCCN1N=CN=C1Br AT12321 [0,1,0,0,1,0|1,0,0]=3 366 B9R1.33 CCCN1N=NN=C1N AT26607 [0,1,0,0,1,0|2,0,0]=4 367 B9R1.33 CCOC1=C(C)C=CS1 91672 [0,1,0,0,1,0|2,0,0]=4 368 B9R1.33 CN1C=CN=C1CCN AT24187 [0,1,0,0,1,0|1,0,1]=4 369 B9R1.33 CN1N=CC=C1CCO AT15967 [0,1,0,0,1,0|2,0,0]=4 370 B9R1.33 CN1N=CN=C1CCN AT12257 [0,1,0,0,1,0|2,0,0]=4 371 B9R1.33 CNCC1=C(C)ON=C1 F14262 [0,1,0,0,1,0|2,0,0]=4 372 B9R1.33 CNCC1=CN=CN1C AT15467 [0,1,0,0,1,0|1,0,1]=4 373 B9R1.33 CNCC1=NC=CN1C AT15623 [0,1,0,0,1,0|1,0,1]=4 374 B9R1.33 CNCC1=NON=C1C 27032 [0,1,0,0,1,0|2,0,0]=4 375 B9R1.33 CNCC1=NSC=C1Br D80074 [0,1,0,0,1,0|2,0,0]=4 376 B11R1.1 CC1=CC=C(CCCN)C=C1 C78299 [0,2,0,0,0,0|2,0,0]=4 377 B11R1.1 CNCCC1=CC=C(Br)C=C1 C78422 [0,2,0,0,0,0|2,0,0]=4 378 B11R1.1 CNCCC1=CC=C(C)C=C1 C78074 [0,2,0,0,0,0|2,0,0]=4 379 B11R1.1 CNCCC1=NC=C(Br)C=N1 AT18381 [0,2,0,0,0,0|2,0,0]=4 380 B11R1.1 COCCC1=CC=C(Br)C=C1 28244 [0,2,0,0,0,0|2,0,0]=4 381 B11R1.1 COCCC1=CC=C(N)C=C1 F11764 [0,2,0,0,0,0|2,0,0]=4 382 B11R1.1 COCOC1=NC=C(Br)C=C1 F19737 [0,2,0,0,0,0|2,0,0]=4 383 B11R1.1 ClC1=CC=C(CCCBr)C=C1 S11935 [0,2,0,0,0,0|2,0,0]=4 384 B11R1.1 NCCCC1=CC=C(N)C=C1 C78351 [0,2,0,0,0,0|2,0,0]=4 385 B11R1.1 OCCOC1=NC=C(Br)C=C1 F19748 [0,2,0,0,0,0|2,0,0]=4 386 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N14354 [0,2,0,0,0,0|2,0,0]=4 387 B11R1.20 CC1=CN=C(CC(=O)[O-])C=N1 C91526 [0,2,0,0,0,0|1,0,1]=4 388 B11R1.20 CN(C)CC1=CN=C(Cl)C=C1 D76265 [0,2,0,0,0,0|2,0,0]=4 389 B11R1.20 CN(C)CC1=CN=C(N)C=C1 N12638 [0,2,0,0,0,0|2,0,0]=4 390 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y11268 [0,2,0,0,0,0|2,0,0]=4 391 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N10873 [0,2,0,0,0,0|2,0,0]=4 392 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 85180 [0,2,0,0,0,0|2,0,0]=4 393 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11154 [0,2,0,0,0,0|2,0,0]=4 394 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11155 [0,2,0,0,0,0|2,0,0]=4 395 B11R1.22 CCC(=O)C1=CN=C(Br)C=C1 F50479 [0,2,0,0,0,0|1,0,1]=4 396 B11R1.22 CCC(=O)C1=CN=C(C)C=C1 N14278 [0,2,0,0,0,0|1,0,1]=4 397 B11R1.22 CCC(=O)C1=CN=C(F)C=C1 N14274 [0,2,0,0,0,0|1,0,1]=4 398 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 O10385 [0,2,0,0,0,0|2,0,0]=4 399 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 N12295 [0,2,0,0,0,0|2,0,0]=4 400 B11R1.22 NC[C@H](N)C1=CN=C(Br)C=C1 N14910 [0,2,0,0,0,0|2,0,0]=4 401 B11R1.22 NC[C@H](N)C1=NC=C(Br)C=C1 N14909 [0,2,0,0,0,0|2,0,0]=4 402 B11R1.22 N[C@@H](CO)C1=CN=C(Br)C=C1 N11111 [0,2,0,0,0,0|2,0,0]=4 403 B11R1.22 N[C@@H](CO)C1=NC=C(Br)C=C1 Y11193 [0,2,0,0,0,0|2,0,0]=4 404 B11R1.81 CCCC1=C(O)C=C(C)C=C1 A10895 [0,2,0,0,0,0|2,0,0]=4 405 B11R1.81 CCOC1=C(Br)C=C(C)C=N1 93939 [0,2,0,0,0,0|2,0,0]=4 406 B11R1.81 CCOC1=NC=C(C)N=C1Br 93936 [0,2,0,0,0,0|1,0,0]=3 407 B11R1.83 CCCC1=CC=C(CBr)C=C1 C13395 [0,2,0,0,0,0|2,0,0]=4 408 B11R1.83 CCNC1=NC=C(C#N)C=C1 88568 [0,2,0,0,0,0|2,0,0]=4 409 B11R1.83 CCOC1=CN=C(CO)C=C1 CL0296 [0,2,0,0,0,0|2,0,0]=4 410 B11R1.83 CCSC1=CN=C(C#N)C=C1 58222 [0,2,0,0,0,0|2,0,0]=4 411 B11R1.83 COC1=CN=C(CCN)C=C1 C15008 [0,2,0,0,0,0|2,0,0]=4 412 B11R1.83 COC1=NC=C(CCN)C=C1 W10137 [0,2,0,0,0,0|2,0,0]=4 413 B11R1.192 CCCC1=CC(Br)=C(Cl)C=C1 F31327 [0,2,0,0,0,0|2,0,0]=4 414 B11R1.192 CCOC1=CN=C(Br)C(N)=C1 F18035 [0,2,0,0,0,0|2,0,0]=4 415 B11R1.192 CCOC1=NC(C)=C(N)C=C1 F51299 [0,2,0,0,0,0|2,0,0]=4 416 B11R1.13 CCNC1=NC=CC(Cl)=C1N C91370 [0,2,0,0,0,0|2,0,0]=4 417 B11R1.13 OCCC1=NC=CC(Cl)=C1Br W11042 [0,2,0,0,0,0|2,0,0]=4 418 B11R1.17 BrCCCC1=C(Br)C=CC=C1 C77748 [0,2,0,0,0,0|2,0,0]=4 419 B11R1.17 CC1=CC=CN=C1CCCN W10139 [0,2,0,0,0,0|1,0,0]=3 420 B11R1.17 CCCOC1=C(N)C=CC=C1 AC7746 [0,2,0,0,0,0|2,0,0]=4 421 B11R1.17 CCNCC1=C(Cl)C=CC=C1 C16114 [0,2,0,0,0,0|2,0,0]=4 422 B11R1.17 CNCCC1=C(C)C=CC=C1 C78447 [0,2,0,0,0,0|2,0,0]=4 423 B11R1.17 CNCCC1=C(Cl)C=CC=C1 C78279 [0,2,0,0,0,0|2,0,0]=4 424 B11R1.17 ClC1=C(CCCBr)C=CC=C1 C78298 [0,2,0,0,0,0|2,0,0]=4 425 B11R1.17 NCCCC1=C(Cl)C=CC=C1 C78000 [0,2,0,0,0,0|2,0,0]=4 426 B11R1.17 NCCCC1=C(F)C=CC=C1 F20045 [0,2,0,0,0,0|2,0,0]=4 427 B11R1.17 OCCCC1=C(O)C=CC=N1 85302 [0,2,0,0,0,0|1,0,0]=3 428 B11R1.41 CCNC1=C(OC)C=CC=N1 76883 [0,2,0,0,0,0|2,0,0]=4 429 B11R1.86 CC(C)CC1=NC=CN=C1O 43967 [0,2,0,0,0,0|0,0,0]=2 430 B11R1.86 CC(C)OC1=C(I)C=CC=N1 76901 [0,2,0,0,0,0|2,0,0]=4 431 B11R1.86 CC(C)OC1=C(N)C=CN=C1 AT18128 [0,2,0,0,0,0|2,0,0]=4 432 B11R1.86 CC1=C(C[C@H](C)N)C=CC=C1 N10867 [0,2,0,0,0,0|2,0,0]=4 433 B11R1.86 CC1=NC=CN=C1CC(=O)O A51230 [0,2,0,0,0,0|1,0,1]=4 434 B11R1.86 C[C@H](N)CC1=C(Br)C=CC=C1 N11144 [0,2,0,0,0,0|2,0,0]=4 435 B11R1.86 C[C@H](N)CC1=C(Cl)C=CC=C1 N11063 [0,2,0,0,0,0|2,0,0]=4 436 B11R1.182 CCCC1=C(Br)C=CC(O)=C1 57995 [0,2,0,0,0,0|2,0,0]=4 437 B11R1.182 CCNC1=C(N)N=CC(Br)=N1 23955 [0,2,0,0,0,0|1,0,0]=3 438 B11R1.182 CCOC1=CC(Br)=CN=C1N 92665 [0,2,0,0,0,0|2,0,0]=4 439 B11R1.182 COCC1=CC(Cl)=CN=C1Cl 55140 [0,2,0,0,0,0|2,0,0]=4 440 B11R1.222 CC1=CC=CN=C1[C@@H](N)CN N14901 [0,2,0,0,0,0|2,0,0]=4 441 B11R1.222 CCC(=O)C1=C(Cl)C=CN=C1 N14267 [0,2,0,0,0,0|1,0,1]=4 442 B11R1.222 CCC(=O)C1=C(F)C=CC=N1 N14248 [0,2,0,0,0,0|1,0,1]=4 443 B11R1.222 CCC(=O)C1=CC=CN=C1Br N14264 [0,2,0,0,0,0|1,0,1]=4 444 B11R1.222 CCC(=O)C1=CC=CN=C1Cl N14262 [0,2,0,0,0,0|1,0,1]=4 445 B11R1.222 CCC(=O)C1=CC=CN=C1F N14261 [0,2,0,0,0,0|1,0,1]=4 446 B11R1.222 CCC(=O)C1=NC=CC=C1C N12289 [0,2,0,0,0,0|1,0,1]=4 447 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 35361 [0,2,0,0,0,0|2,0,0]=4 448 B11R1.222 CC[C@H](N)C1=C(Br)C=CC=C1 N13015 [0,2,0,0,0,0|2,0,0]=4 449 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13856 [0,2,0,0,0,0|1,0,0]=3 450 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13857 [0,2,0,0,0,0|1,0,0]=3 451 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13858 [0,2,0,0,0,0|1,0,0]=3 452 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13859 [0,2,0,0,0,0|1,0,0]=3 453 B11R1.222 CC[C@H](O)C1=C(Br)C=CC=C1 N12628 [0,2,0,0,0,0|2,0,0]=4 454 B11R1.222 CC[C@H](O)C1=C(C)C=CC=C1 N14414 [0,2,0,0,0,0|2,0,0]=4 455 B11R1.222 CC[C@H](O)C1=C(Cl)C=CC=C1 N14413 [0,2,0,0,0,0|2,0,0]=4 456 B11R1.222 N[C@@H](CO)C1=C(O)C=CC=N1 N14918 [0,2,0,0,0,0|2,0,0]=4 457 B11R1.222 O[C@@H](CF)C1=CC=CN=C1F AT10158 [0,2,0,0,0,0|2,0,0]=4 458 B11R1.23 CCC(=O)C1=CC(Br)=CN=C1 N14270 [0,2,0,0,0,0|1,0,1]=4 459 B11R1.23 CC[C@H](O)C1=CC(C)=CC=C1 N14416 [0,2,0,0,0,0|2,0,0]=4 460 B11R1.23 CC[C@H](O)C1=CC=CC(Br)=C1 N12527 [0,2,0,0,0,0|2,0,0]=4 461 B11R1.23 CC[C@H](O)C1=CC=CC(Cl)=C1 N12311 [0,2,0,0,0,0|2,0,0]=4 462 B11R1.23 N[C@@H](CO)C1=CC(F)=CN=C1 N14406 [0,2,0,0,0,0|2,0,0]=4 463 B11R1.23 N[C@@H](CO)C1=CC(F)=CN=C1 N14407 [0,2,0,0,0,0|2,0,0]=4 464 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=N1 Y12117 [0,2,0,0,0,0|2,0,0]=4 465 B11R1.23 N[C@@H](CO)C1=NC=CC(Cl)=C1 N14937 [0,2,0,0,0,0|2,0,0]=4 466 B11R1.23 N[C@@H](CO)C1=NC=CC(Cl)=C1 N14938 [0,2,0,0,0,0|2,0,0]=4 467 B11R1.24 BrCCCC1=CC=CC(Br)=C1 C77758 [0,2,0,0,0,0|2,0,0]=4 468 B11R1.24 CC1=CC(CCCN)=NC=C1 W10140 [0,2,0,0,0,0|1,0,0]=3 469 B11R1.24 CC1=CC=CC(OCCO)=N1 N10107 [0,2,0,0,0,0|2,0,0]=4 470 B11R1.24 CCC#CC1=CC(Br)=CN=C1 94131 [0,2,0,0,0,0|1,0,1]=4 471 B11R1.24 CCNCC1=CC(Br)=CN=C1 F19801 [0,2,0,0,0,0|1,0,0]=3 472 B11R1.24 CCOCC1=CC=CC(Br)=C1 F17773 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.24 CNCCC1=CC=CC(Br)=C1 C78466 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.24 ClC1=CC=CC(CCCBr)=C1 C78574 [0,2,0,0,0,0|2,0,0]=4 475 B11R1.24 NC1=CC(CCCO)=NC=C1 AC5942 [0,2,0,0,0,0|1,0,0]=3 476 B11R1.24 NCCCC1=CC=CC(F)=C1 97619 [0,2,0,0,0,0|2,0,0]=4 477 B11R1.24 NCCCC1=CC=CC(N)=C1 C78147 [0,2,0,0,0,0|2,0,0]=4 478 B11R1.24 NCCCC1=CC=CC(O)=C1 C78310 [0,2,0,0,0,0|2,0,0]=4 479 B11R1.24 OCCNC1=CN=CC(Cl)=N1 F15545 [0,2,0,0,0,0|1,0,0]=3 480 B11R1.24 OCCOC1=CC(Cl)=CN=C1 AT19859 [0,2,0,0,0,0|2,0,0]=4 481 B11R1.34 CCCC1=CC(Cl)=NC(C)=N1 76064 [0,2,0,0,0,0|2,0,0]=4 482 B11R1.34 CCOC1=CC(N)=CC(Cl)=N1 S12144 [0,2,0,0,0,0|2,0,0]=4 483 B11R1.157 CC(C)CC1=CC=CC(N)=C1 O11024 [0,2,0,0,0,0|2,0,0]=4 484 B11R1.157 CC(C)NC1=NC=CC(N)=C1 F19784 [0,2,0,0,0,0|2,0,0]=4 485 B11R1.157 CC(C)OC1=CC(Br)=CN=C1 F19749 [0,2,0,0,0,0|2,0,0]=4 486 B11R1.157 CC(C)OC1=CN=CC(Cl)=N1 55121 [0,2,0,0,0,0|1,0,0]=3 487 B11R1.157 CC(C)OC1=NC=CC(N)=C1 AT18134 [0,2,0,0,0,0|2,0,0]=4 488 B11R1.157 CC1=CC=CC(C[C@H](C)N)=C1 N11054 [0,2,0,0,0,0|2,0,0]=4 489 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 E72139 [0,2,0,0,0,0|2,0,0]=4 490 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 83690 [0,2,0,0,0,0|2,0,0]=4 491 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 N11066 [0,2,0,0,0,0|2,0,0]=4 492 B11R1.157 C[C@H](N)CC1=CC=CC(F)=C1 N10878 [0,2,0,0,0,0|2,0,0]=4 493 B11R1.189 CCCC1=CC=CC(OC)=C1 AC9509 [0,2,0,0,0,0|2,0,0]=4 494 B11R1.189 CCOC1=CC(C=O)=CN=C1 N12988 [0,2,0,0,0,0|2,0,0]=4 495 B11R1.189 CCOC1=NC=CC(C=O)=C1 AT18194 [0,2,0,0,0,0|2,0,0]=4 496 B11R1.12 CCC(CC)C1=CC=CC=C1 T71625 [0,2,0,0,0,0|2,0,0]=4 497 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 N12265 [0,2,0,0,0,0|2,0,0]=4 498 B11R1.16 CCOC(=N)C1=NC=CC=C1 F18164 [0,2,0,0,0,0|1,0,1]=4 499 B11R1.16 CNC[C@H](C)C1=CC=CC=C1 C11240 [0,2,0,0,0,0|2,0,0]=4 500 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 C11214 [0,2,0,0,0,0|2,0,0]=4 501 B11R1.16 COC[C@H](N)C1=CC=CC=C1 AC6537 [0,2,0,0,0,0|2,0,0]=4 502 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14729 [0,2,0,0,0,0|2,0,0]=4 503 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14730 [0,2,0,0,0,0|2,0,0]=4 504 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 C80043 [0,2,0,0,0,0|2,0,0]=4 505 B11R1.36 CC(C)[C@H](N)C1=CC=CN=C1 74043 [0,2,0,0,0,0|1,0,0]=3 506 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y10672 [0,2,0,0,0,0|1,0,0]=3 507 B11R1.36 CC(C)[C@H](O)C1=CN=CC=C1 AC2743 [0,2,0,0,0,0|1,0,0]=3 508 B11R1.36 CC(O)C(N)C1=CC=CC=C1 N11175 [0,2,0,0,0,0|2,0,0]=4 509 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Y13368 [0,2,0,0,0,0|2,0,0]=4 510 B11R1.36 CC(O)[C@H](N)C1=CC=CC=C1 N15517 [0,2,0,0,0,0|2,0,0]=4 511 B11R1.36 C[C@@H](C(=O)[O-])C1=NC=CN=C1 97744 [0,2,0,0,0,0|1,0,1]=4 512 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N15522 [0,2,0,0,0,0|2,0,0]=4 513 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 N15519 [0,2,0,0,0,0|2,0,0]=4 514 B11R1.36 N[C@@H](C(=O)O)C1=NC=CN=C1 66504 [0,2,0,0,0,0|1,0,1]=4 515 B11R1.28 CCNCCC1=CC=CC=C1 AC5622 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.28 N#CCCNC1=NC=CC=C1 N13320 [0,2,0,0,0,0|1,0,1]=4 517 B11R1.28 OCCSSC1=NC=CC=C1 AT21148 [0,2,0,0,0,0|2,0,0]=4 518 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 74053 [0,2,0,0,0,0|2,0,0]=4 519 B11R1.40 C[C@H](C=O)CC1=CC=CC=C1 F16111 [0,2,0,0,0,0|2,0,0]=4 520 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14383 [0,2,0,0,0,0|2,0,0]=4 521 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14384 [0,2,0,0,0,0|2,0,0]=4 522 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14385 [0,2,0,0,0,0|2,0,0]=4 523 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 C78372 [0,2,0,0,0,0|2,0,0]=4 524 B11R1.91 CC(=O)COC1=NC=CC=C1 AC9007 [0,2,0,0,0,0|1,0,1]=4 525 B11R1.91 CC(C)NCC1=CC=CN=C1 AC5151 [0,2,0,0,0,0|1,0,0]=3 526 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12753 [0,2,0,0,0,0|2,0,0]=4 527 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12763 [0,2,0,0,0,0|2,0,0]=4 528 B11R1.91 C[C@H](N)CSC1=CC=CC=C1 AT26670 [0,2,0,0,0,0|2,0,0]=4 529 B11R1.91 N=C(N)CCC1=NC=CC=C1 C14497 [0,2,0,0,0,0|1,0,1]=4 530 B11R1.91 NC(=O)CCC1=NC=CC=C1 AC6900 [0,2,0,0,0,0|1,0,1]=4 531 B11R1.91 O=C(O)CCC1=NC=CN=C1 N12623 [0,2,0,0,0,0|0,0,1]=3 532 B11R1.509 CC(C)(Cl)CC1=CC=CC=C1 AC4724 [0,2,0,0,0,0|2,0,0]=4 533 B9R2.2 C1=CSC(C2CC2)=N1 95281 [0,0,0,1,1,0|1,0,0]=3 534 B9R2.2 C1=NC(C2CC2)=CN1 70406 [0,0,0,1,1,0|0,0,1]=3 535 B9R2.2 C1=NC=NN1C2CC2 AT12049 [0,0,0,1,1,0|1,0,0]=3 536 B9R2.2 C1=NNC=C1C2CC2 A11719 [0,0,0,1,1,0|1,0,0]=3 537 B9R2.3 C1=CC2=C(CNC2)O1 91178 [0,0,0,1,1,0|2,0,0]=4 538 B9R2.3 C1=NC2=C(CNC2)S1 AC2026 [0,0,0,1,1,0|2,0,0]=4 539 B9R2.3 C1=NN2CCOC2=C1 AT11029 [0,0,0,1,1,0|2,0,0]=4 540 B11R2.34 BrC1=NN=C(C2CC2)C=C1 F13549 [0,1,0,1,0,0|2,0,0]=4 541 B11R2.34 CC1=CC=C(C2CC2)C=C1 AC9737 [0,1,0,1,0,0|2,0,0]=4 542 B11R2.34 ClC1=CC=C(C2CC2)C=C1 AC9567 [0,1,0,1,0,0|2,0,0]=4 543 B11R2.34 NC1=CC=C(C2CC2)N=N1 AT11528 [0,1,0,1,0,0|2,0,0]=4 544 B11R2.36 CC1=NC=C2CNCC2=C1 F17653 [0,1,0,1,0,0|2,0,0]=4 545 B11R2.36 CC1=NC=C2CNCC2=C1 S11542 [0,1,0,1,0,0|2,0,0]=4 546 B11R2.36 ClC1=CN=C2CNCC2=C1 F19783 [0,1,0,1,0,0|2,0,0]=4 547 B11R2.36 FC1=CC2=C(C=C1)CCC2 36515 [0,1,0,1,0,0|2,0,0]=4 548 B11R2.36 IC1=CC2=C(C=C1)CCC2 C12643 [0,1,0,1,0,0|2,0,0]=4 549 B11R2.36 NC1=CN=C2CCCC2=C1 F30816 [0,1,0,1,0,0|1,0,0]=3 550 B11R2.36 NC1=NC2=C(C=N1)CCC2 F20254 [0,1,0,1,0,0|2,0,0]=4 551 B11R2.36 O=C1C=C2CCCC2=NN1 20277 [0,1,0,1,0,0|2,0,0]=4 552 B11R2.36 OC1=CN=C2CCCC2=C1 F30817 [0,1,0,1,0,0|1,0,0]=3 553 B11R2.36 OC1=NC2=C(C=C1)CCC2 20278 [0,1,0,1,0,0|1,0,0]=3 554 B11R2.10 CC1=NC2=NC=CN=C2N1 70074 [0,1,0,1,0,0|1,0,1]=4 555 B11R2.20 C1=CC2=C(C=N1)NCCN2 78662 [0,1,0,1,0,0|2,0,0]=4 556 B11R2.20 C1=CC2=C(C=N1)NCCO2 AT21908 [0,1,0,1,0,0|2,0,0]=4 557 B11R2.20 C1=CN=C2CNCCC2=C1 P10652 [0,1,0,1,0,0|1,0,0]=3 558 B11R2.20 C1=NC=C2CCNCC2=N1 P19161 [0,1,0,1,0,0|2,0,0]=4 559 B11R2.55 CC1=C(C2CC2)C=CC=C1 AC9736 [0,1,0,1,0,0|2,0,0]=4 560 B11R2.55 CC1=CC=CN=C1C2CC2 AC9685 [0,1,0,1,0,0|1,0,0]=3 561 B11R2.55 CC1=NC=CC=C1C2CC2 F13571 [0,1,0,1,0,0|1,0,0]=3 562 B11R2.55 NC1=C(C2CC2)C=CC=C1 A10978 [0,1,0,1,0,0|2,0,0]=4 563 B11R2.55 OC1=C(C2CC2)C=CC=C1 91444 [0,1,0,1,0,0|2,0,0]=4 564 B11R2.106 BrC1=C2CCCC2=NC=C1 F53407 [0,1,0,1,0,0|1,0,0]=3 565 B11R2.106 BrC1=CN=CC2=NCCN12 D96785 [0,1,0,1,0,0|1,0,1]=4 566 B11R2.106 BrC1=NC=CC2=C1CNC2 D97047 [0,1,0,1,0,0|2,0,0]=4 567 B11R2.106 CC1=C2CCOC2=NC=C1 97225 [0,1,0,1,0,0|2,0,0]=4 568 B11R2.106 ClC1=C2CCCC2=CC=C1 N13077 [0,1,0,1,0,0|2,0,0]=4 569 B11R2.106 ClC1=C2CCOC2=NC=C1 97228 [0,1,0,1,0,0|2,0,0]=4 570 B11R2.106 ClC1=C2CNCC2=NC=C1 S11449 [0,1,0,1,0,0|2,0,0]=4 571 B11R2.106 NC1=C2OCCC2=CC=N1 F53509 [0,1,0,1,0,0|2,0,0]=4 572 B11R2.988 NC[C@H]1CC2=C1C=CC=C2 AT20374 [0,1,0,1,0,0|2,0,0]=4 573 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 67862 [0,1,0,1,0,0|2,0,0]=4 574 B11R2.35 BrC1=NC(C2CC2)=NC=C1 55321 [0,1,0,1,0,0|2,0,0]=4 575 B11R2.35 BrC1=NC=NC(C2CC2)=C1 AT21508 [0,1,0,1,0,0|2,0,0]=4 576 B11R2.35 CC1=CC(C2CC2)=NC=C1 AC9117 [0,1,0,1,0,0|1,0,0]=3 577 B11R2.35 CC1=CC(C2CC2)=NC=N1 96956 [0,1,0,1,0,0|2,0,0]=4 578 B11R2.35 CC1=CC=CC(C2CC2)=C1 AC9451 [0,1,0,1,0,0|2,0,0]=4 579 B11R2.35 CC1=CC=CC(C2CC2)=N1 AC9039 [0,1,0,1,0,0|1,0,0]=3 580 B11R2.35 ClC1=CC(C2CC2)=CC=C1 97830 [0,1,0,1,0,0|2,0,0]=4 581 B11R2.35 ClC1=NC=NC(C2CC2)=C1 96952 [0,1,0,1,0,0|2,0,0]=4 582 B11R2.35 NC1=CC(C2CC2)=CN=C1 S11509 [0,1,0,1,0,0|1,0,0]=3 583 B11R2.35 NC1=CC(C2CC2)=NC=C1 F52584 [0,1,0,1,0,0|1,0,0]=3 584 B11R2.35 NC1=NC(C2CC2)=CC=C1 AT24911 [0,1,0,1,0,0|1,0,0]=3 585 B11R2.35 NC1=NC(C2CC2)=CC=N1 AT12433 [0,1,0,1,0,0|2,0,0]=4 586 B11R2.35 NC1=NC(C2CC2)=NC=C1 55320 [0,1,0,1,0,0|2,0,0]=4 587 B11R2.35 OC1=CC(C2CC2)=CC=C1 97835 [0,1,0,1,0,0|2,0,0]=4 588 B11R2.35 OC1=CC(C2CC2)=NC=C1 55360 [0,1,0,1,0,0|1,0,0]=3 589 B11R2.35 OC1=NC(C2CC2)=CC=N1 AT21509 [0,1,0,1,0,0|2,0,0]=4 590 B11R2.35 OC1=NC(C2CC2)=NC=C1 55123 [0,1,0,1,0,0|2,0,0]=4 591 B11R2.35 OC1=NC=NC(C2CC2)=C1 AT21507 [0,1,0,1,0,0|2,0,0]=4 592 B11R2.1 C[C@@H]1N=NC2=NC=CC=C21 F17908 [0,1,0,1,0,0|2,0,0]=4 593 B11R2.1 C[C@@H]1NCC2=NC=NC=C21 82267 [0,1,0,1,0,0|2,0,0]=4 594 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 W18948 [0,1,0,1,0,0|2,0,0]=4 595 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 41003 [0,1,0,1,0,0|2,0,0]=4 596 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D81362 [0,1,0,1,0,0|1,0,0]=3 597 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79496 [0,1,0,1,0,0|1,0,0]=3 598 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C14923 [0,1,0,1,0,0|2,0,0]=4 599 B11R2.40 NC1(C2=NC=CC=C2)CC1 80305 [0,1,0,1,0,0|1,0,0]=3 600 B11R2.40 NC1(C2=NC=CC=C2)CC1 80312 [0,1,0,1,0,0|1,0,0]=3 601 B11R2.40 NC1(C2=NC=CC=N2)CC1 P12924 [0,1,0,1,0,0|2,0,0]=4 602 B11R2.239 C1=CC(C2CNC2)=NC=N1 74669 [0,1,0,1,0,0|2,0,0]=4 603 B11R2.239 C1=CC=C(C2CCC2)C=C1 F52090 [0,1,0,1,0,0|2,0,0]=4 604 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 A50749 [0,1,0,1,0,0|2,0,0]=4 605 B11R2.239 C1=CN=C(C2CNC2)C=C1 F31095 [0,1,0,1,0,0|1,0,0]=3 606 B7R1.1 BrCC1=CN=CS1 70967 [1,0,0,0,1,0|2,0,0]=4 607 B7R1.1 BrCC1=CNC=N1 AT15560 [1,0,0,0,1,0|1,0,1]=4 608 B7R1.1 BrCC1=COC=N1 F13651 [1,0,0,0,1,0|2,0,0]=4 609 B7R1.1 BrCC1=CSC=N1 70966 [1,0,0,0,1,0|2,0,0]=4 610 B7R1.1 BrCC1=NSN=C1 AT12137 [1,0,0,0,1,0|2,0,0]=4 611 B7R1.1 CCC1=CN=CO1 C77473 [1,0,0,0,1,0|1,0,0]=3 612 B7R1.1 CCC1=COC=N1 C77618 [1,0,0,0,1,0|1,0,0]=3 613 B7R1.1 CCC1=NN=CN1 AT12320 [1,0,0,0,1,0|1,0,1]=4 614 B7R1.1 CCN1N=CN=N1 F17210 [1,0,0,0,1,0|2,0,0]=4 615 B7R1.1 CNC1=CNN=C1 AT23101 [1,0,0,0,1,0|2,0,0]=4 616 B7R1.1 CNC1=NC=CS1 H11141 [1,0,0,0,1,0|2,0,0]=4 617 B7R1.1 COC1=NSC=C1 AT11777 [1,0,0,0,1,0|2,0,0]=4 618 B7R1.1 ClCC1=CN=CS1 F13827 [1,0,0,0,1,0|2,0,0]=4 619 B7R1.1 ClCC1=CNC=N1 70851 [1,0,0,0,1,0|1,0,1]=4 620 B7R1.1 ClCC1=COC=N1 C16353 [1,0,0,0,1,0|2,0,0]=4 621 B7R1.1 ClCC1=CSC=C1 AT17055 [1,0,0,0,1,0|2,0,0]=4 622 B7R1.1 ClCC1=NC=CN1 35198 [1,0,0,0,1,0|1,0,1]=4 623 B7R1.1 ClCC1=NC=CS1 AC6679 [1,0,0,0,1,0|2,0,0]=4 624 B7R1.1 ClCN1C=CC=N1 79341 [1,0,0,0,1,0|2,0,0]=4 625 B7R1.1 NCC1=CC=NN1 P10323 [1,0,0,0,1,0|2,0,0]=4 626 B7R1.1 NCC1=CC=NS1 AT13366 [1,0,0,0,1,0|2,0,0]=4 627 B7R1.1 NCC1=CNC=N1 C90275 [1,0,0,0,1,0|1,0,1]=4 628 B7R1.1 NCC1=CNN=C1 83328 [1,0,0,0,1,0|2,0,0]=4 629 B7R1.1 NCC1=COC=C1 61502 [1,0,0,0,1,0|2,0,0]=4 630 B7R1.1 NCC1=COC=N1 73632 [1,0,0,0,1,0|2,0,0]=4 631 B7R1.1 NCC1=CSN=C1 AT21214 [1,0,0,0,1,0|2,0,0]=4 632 B7R1.1 NCC1=NC=NN1 S10770 [1,0,0,0,1,0|2,0,0]=4 633 B7R1.1 NCC1=NNC=N1 C14327 [1,0,0,0,1,0|2,0,0]=4 634 B7R1.1 NCC1=NSC=C1 P10783 [1,0,0,0,1,0|2,0,0]=4 635 B7R1.1 OCC1=CC=CN1 AT16114 [1,0,0,0,1,0|1,0,1]=4 636 B7R1.1 OCC1=CC=NN1 H11417 [1,0,0,0,1,0|2,0,0]=4 637 B7R1.1 OCC1=NC=CN1 D72609 [1,0,0,0,1,0|1,0,1]=4 638 B7R1.1 OCC1=NNN=C1 D78628 [1,0,0,0,1,0|2,0,0]=4 639 B7R1.1 OCC1=NON=C1 D74166 [1,0,0,0,1,0|2,0,0]=4 640 B7R1.1 SCC1=CC=CS1 T72725 [1,0,0,0,1,0|2,0,0]=4