0 B9R1.8 BrC#CC1=NC=CC=C1 94426 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.8 BrCCC1=CN=CC=C1 C77647 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.8 C#C[I+]C1=CC=CC=C1 T71678 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.8 CCCC1=CC=CN=C1 O11051 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.8 CCNC1=NC=CN=C1 C76036 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.8 CNCC1=CN=CN=C1 38577 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.8 CNCC1=NC=CC=N1 27199 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.8 CNCC1=NC=CC=N1 72796 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.8 CNCC1=NC=NC=C1 C14477 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.8 CNNC1=CC=CC=C1 C77159 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.8 FCCC1=CC=CC=C1 75534 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.8 IC#CC1=CC=CC=C1 N11813 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.8 NCCC1=CC=CC=C1 T71816 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.8 NCCC1=CC=CC=C1 T72591 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.8 NCCC1=NC=CC=N1 83201 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.8 NCCC1=NC=CC=N1 P10852 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.8 NCCC1=NC=CN=C1 AT22557 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.8 NCCC1=NC=NC=C1 P10950 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.8 NNCC1=NC=CC=C1 P10521 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.8 NNCC1=NC=CN=C1 D78817 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.8 NNCC1=NC=CN=C1 P19174 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.8 OCCC1=CC=NC=C1 T72404 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.8 OCCC1=NN=CC=C1 D77083 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.8 S=C=NC1=NC=CC=C1 C11368 [0,0,0,0,0,0|2,0,1]=3 25 B9R1.8 SCCC1=NC=CC=C1 F18309 [0,0,0,0,0,0|1,0,0]=1 26 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 AC8779 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.8 [C-]#[N+]CC1=CN=CC=C1 F16136 [0,0,0,0,0,0|3,0,1]=4 28 B8R1.2 BrCC1=NC=CC=N1 D79434 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.2 C=CC1=NC=CN=C1 T72447 [1,0,0,0,0,0|1,0,2]=4 30 B8R1.2 CNC1=CC=CN=N1 79165 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.2 CSC1=NC=CC=N1 O10841 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.2 ClCC1=NC=NC=C1 A10562 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.2 NCC1=CC=CC=C1 T70846 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.2 NNC1=CC=CN=N1 C15759 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.2 NNC1=NC=NC=C1 57488 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.2 SCC1=NC=CN=C1 78318 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.1 CC1=CC=C(CNN)C=C1 O10110 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.1 CC1=CN=C(CC#N)N=C1 95159 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.1 CC1=CN=C(CCN)N=C1 AT18271 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.1 CCNC1=CC=C(C)N=N1 AT18438 [0,1,0,0,0,0|2,0,0]=3 42 B10R1.1 CCOC1=NC=C(O)C=C1 D75011 [0,1,0,0,0,0|1,0,0]=2 43 B10R1.1 CNCC1=NC=C(Br)C=N1 AT18380 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.1 CNCC1=NC=C(Cl)C=C1 AT26664 [0,1,0,0,0,0|1,0,0]=2 45 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.1 N#CCC1=CN=C(Cl)C=N1 95162 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.1 N#CCC1=NC=C(F)C=C1 O10489 [0,1,0,0,0,0|1,0,1]=3 49 B10R1.1 NC1=CC=C(OCF)C=C1 68782 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.1 NCCC1=NC=C(Br)C=C1 P10593 [0,1,0,0,0,0|1,0,0]=2 52 B10R1.1 NNCC1=CC=C(Br)C=C1 AC3503 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.1 NNCC1=CC=C(Cl)C=C1 37006 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.1 OCCC1=CN=C(Br)C=C1 AC9473 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.1 OCCC1=CN=C(F)C=C1 AC9525 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.1 [BH3-]C1=CN=C(OCC)N=C1 AC8964 [0,1,0,0,0,0|2,0,0]=3 57 B10R1.4 CC1=C(CC=O)C=CC=C1 W16821 [0,1,0,0,0,0|2,0,1]=4 58 B10R1.4 CC1=C(CON)C=CC=C1 D77271 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.4 CC1=CC=CN=C1CC#N C90297 [0,1,0,0,0,0|1,0,1]=3 60 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [0,1,0,0,0,0|1,0,0]=2 61 B10R1.4 CCCC1=CN=CN=C1Cl F11792 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.4 CCNC1=C(F)C=CC=C1 D87863 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.4 CCNC1=CC=CN=C1O F30124 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.4 CCNC1=NC=CC=C1N AC7989 [0,1,0,0,0,0|1,0,0]=2 65 B10R1.4 CCNC1=NC=CN=C1Cl AT24639 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.4 CCOC1=C(C)C=CN=C1 AC4346 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.4 CCOC1=C(F)C=CC=N1 F53248 [0,1,0,0,0,0|1,0,0]=2 68 B10R1.4 CCOC1=CC=CN=C1Cl W17868 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.4 CCSC1=C(Br)C=CC=C1 AT20838 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.4 CCSC1=C(O)C=CC=C1 AT20889 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.4 CNCC1=C(F)C=CC=N1 P10655 [0,1,0,0,0,0|1,0,0]=2 72 B10R1.4 CNCC1=C(F)C=CC=N1 P20450 [0,1,0,0,0,0|1,0,0]=2 73 B10R1.4 CNCC1=C(N)C=CC=C1 F13330 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.4 NC1=C(CCF)C=NC=C1 P14647 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.4 NCCN1C=CC=CC1=O F15207 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.4 NNCC1=C(Cl)C=CC=C1 W12211 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.4 O=C1C=CC=CN1CCBr AT19229 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.4 O=CCC1=C(Cl)C=CC=C1 W16822 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.4 O=CCN1N=CC=CC1=O 57075 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.10 CC#CC1=CC=CC(Cl)=N1 94007 [0,1,0,0,0,0|0,0,2]=3 81 B10R1.10 CC1=CC(CC#N)=NN=C1 C92375 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.10 CC1=CC=CC(CC=O)=C1 74805 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.10 CC1=CC=CC(CCBr)=N1 AC6969 [0,1,0,0,0,0|1,0,0]=2 84 B10R1.10 CC1=CC=CC(CCN)=N1 P19093 [0,1,0,0,0,0|1,0,0]=2 85 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [0,1,0,0,0,0|1,0,0]=2 86 B10R1.10 CCNC1=CC=CC(Cl)=C1 L10102 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.10 CCNC1=CC=CC(O)=C1 F16135 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.10 CCNC1=CN=CC(Cl)=N1 F15512 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.10 CCOC1=NC(N)=NC=C1 AT18300 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.10 CCOC1=NC=CC(Br)=N1 70402 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.10 CCOC1=NC=CC(Cl)=N1 I11353 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.10 CCSC1=CC(N)=CC=C1 AT20857 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.10 CNCC1=CC(Cl)=NC=C1 AT26616 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.10 CNCC1=NC(C)=CC=C1 D87644 [0,1,0,0,0,0|1,0,0]=2 96 B10R1.10 CNCC1=NC=CC(Cl)=C1 CS1254 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.10 COCC1=CC(N)=CC=C1 30379 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.10 COCC1=NC=NC(N)=C1 92042 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.10 N#CCC1=CC=CC(Cl)=N1 O10491 [0,1,0,0,0,0|1,0,1]=3 101 B10R1.10 N#CCC1=CC=NC(Cl)=N1 F30312 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.10 N#CCC1=NC(N)=CC=N1 AT18270 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.10 NC1=CC(CCO)=NC=N1 AC8190 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.10 NCCC1=CC=CC(I)=C1 C78608 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.10 NNCC1=CC=CC(Cl)=C1 P15270 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.10 NNCC1=CC=CC(O)=C1 D87672 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.10 O=CCC1=CC=CC(Cl)=C1 W16823 [0,1,0,0,0,0|2,0,1]=4 108 B10R1.10 S=C=NC1=CC=CC(Br)=N1 92010 [0,1,0,0,0,0|2,0,1]=4 109 B10R1.15 C#C[C@@H](O)C1=NC=CC=C1 AC5788 [0,1,0,0,0,0|0,0,2]=3 110 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [0,1,0,0,0,0|2,0,1]=4 111 B10R1.15 CCC(=O)C1=CC=NC=C1 N12310 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.15 CCC(=O)C1=NC=CC=N1 D72036 [0,1,0,0,0,0|1,0,1]=3 113 B10R1.15 CCN(C)C1=NC=CC=C1 T72928 [0,1,0,0,0,0|1,0,0]=2 114 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [0,1,0,0,0,0|1,0,0]=2 115 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10611 [0,1,0,0,0,0|0,0,0]=1 116 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P11367 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P15053 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [0,1,0,0,0,0|2,0,1]=4 122 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10550 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10551 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.15 NC[C@H](O)C1=CC=NC=C1 C78562 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.15 NC[C@H](O)C1=CN=CC=C1 33361 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11546 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12429 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12120 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12118 [0,1,0,0,0,0|1,0,0]=2 132 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12119 [0,1,0,0,0,0|1,0,0]=2 133 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12430 [0,1,0,0,0,0|1,0,0]=2 134 B10R1.15 O=C(CBr)C1=NC=CC=N1 F19759 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.15 O=C(CBr)C1=NC=NC=C1 FD10496 [0,1,0,0,0,0|2,0,1]=4 136 B10R1.15 O[C@@H](CCl)C1=CN=CC=C1 Y10944 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.17 BrCCSC1=CC=NC=C1 AT18153 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.17 CCCCC1=CC=CN=N1 O10974 [0,1,0,0,0,0|1,0,0]=2 139 B10R1.17 CNCCC1=CC=CN=C1 C73747 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.17 CNCCC1=CC=NC=C1 AR1715 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.17 CNNCC1=NC=CC=C1 30190 [0,1,0,0,0,0|1,0,0]=2 142 B10R1.17 FCCNC1=CC=CC=C1 D77931 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.17 NCCNC1=NC=CC=C1 O12009 [0,1,0,0,0,0|1,0,0]=2 144 B10R1.17 NCCNC1=NC=CC=N1 AT18241 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.17 NCCOC1=NC=CC=N1 AT18221 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [0,1,0,0,0,0|1,0,2]=4 147 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.17 NOCCC1=CC=CC=C1 C10179 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [0,1,0,0,0,0|0,0,1]=2 150 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [0,1,0,0,0,0|2,0,1]=4 151 B10R1.17 O=CNCC1=NC=CC=C1 AC6369 [0,1,0,0,0,0|1,0,1]=3 152 B10R1.17 OCC#CC1=NC=CC=N1 F13494 [0,1,0,0,0,0|1,0,2]=4 153 B10R1.17 OCCCC1=CCC=CC1 72320 [0,1,0,0,0,0|1,0,1]=3 154 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.17 OCCNC1=NC=CC=N1 AT18240 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.17 OCCOC1=NC=CC=C1 C90307 [0,1,0,0,0,0|1,0,0]=2 157 B10R1.17 SCCCC1=CN=CC=C1 F18019 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.17 SCCCC1=NC=CC=C1 F18728 [0,1,0,0,0,0|0,0,0]=1 159 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.18 CC(C)CC1=CC=NC=C1 AC2809 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.18 C[C@H](N)CC1=CC=NC=C1 F11581 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [0,1,0,0,0,0|0,0,0]=1 163 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [0,1,0,0,0,0|1,0,0]=2 164 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [0,1,0,0,0,0|1,0,0]=2 165 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [0,1,0,0,0,0|2,0,1]=4 167 B10R1.18 OB(O)CC1=CC=CC=C1 32975 [0,1,0,0,0,0|3,0,0]=4 168 B10R2.6 C1=CC(C2CC2)=CC=N1 59829 [0,0,0,1,0,0|2,0,0]=3 169 B10R2.6 C1=CN=C(C2CC2)N=C1 P12514 [0,0,0,1,0,0|1,0,0]=2 170 B10R2.7 C1=CC2=C(C=C1)SCO2 76474 [0,0,0,1,0,0|3,0,0]=4 171 B10R2.7 C1=CC2=C(C=C1)SCS2 D71935 [0,0,0,1,0,0|3,0,0]=4 172 B10R2.7 C1=CC2=NNC=C2N=C1 F18246 [0,0,0,1,0,0|2,0,1]=4 173 B10R2.7 C1=CN=C2CNCC2=N1 F12463 [0,0,0,1,0,0|2,0,0]=3 174 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [0,0,0,1,0,0|1,0,0]=2 175 B10R2.7 C1=CN=C2NCCC2=N1 P20982 [0,0,0,1,0,0|2,0,0]=3 176 B10R2.7 C1=NC=C2CCNC2=N1 93647 [0,0,0,1,0,0|2,0,0]=3 177 B10R2.7 C1=NC=C2CCNC2=N1 C90715 [0,0,0,1,0,0|2,0,0]=3 178 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [0,0,0,1,0,0|2,0,0]=3 179 B8R1.8 BrCCC1=CC=CS1 F20027 [0,0,0,0,1,0|2,0,0]=3 180 B8R1.8 BrCCC1=CNN=C1 F14413 [0,0,0,0,1,0|3,0,0]=4 181 B8R1.8 BrCCN1C=NC=N1 AC6818 [0,0,0,0,1,0|3,0,0]=4 182 B8R1.8 BrCCN1C=NC=N1 AT12109 [0,0,0,0,1,0|3,0,0]=4 183 B8R1.8 CCCC1=NCCO1 T72500 [0,0,0,0,1,0|1,0,2]=4 184 B8R1.8 CCNC1=NC=NN1 AT21327 [0,0,0,0,1,0|3,0,0]=4 185 B8R1.8 CCNC1=NN=CO1 AT18792 [0,0,0,0,1,0|3,0,0]=4 186 B8R1.8 CNCC1=CC=NN1 27042 [0,0,0,0,1,0|2,0,1]=4 187 B8R1.8 CNCC1=CC=NN1 AT10969 [0,0,0,0,1,0|2,0,1]=4 188 B8R1.8 CNCC1=CN=CS1 71400 [0,0,0,0,1,0|3,0,0]=4 189 B8R1.8 CNCC1=CSC=C1 AT16803 [0,0,0,0,1,0|2,0,0]=3 190 B8R1.8 CNCC1=CSC=N1 AT10976 [0,0,0,0,1,0|2,0,0]=3 191 B8R1.8 CNCC1=CSC=N1 AT14743 [0,0,0,0,1,0|2,0,0]=3 192 B8R1.8 CNCC1=NC=CN1 W10149 [0,0,0,0,1,0|2,0,0]=3 193 B8R1.8 CNCC1=NC=CS1 AT10974 [0,0,0,0,1,0|2,0,0]=3 194 B8R1.8 CNCC1=NNC=C1 F31265 [0,0,0,0,1,0|2,0,0]=3 195 B8R1.8 CNCC1=NOC=C1 AT10962 [0,0,0,0,1,0|2,0,0]=3 196 B8R1.8 COCC1=NC=CN1 P10070 [0,0,0,0,1,0|2,0,0]=3 197 B8R1.8 COCC1=NNC=N1 AT12266 [0,0,0,0,1,0|3,0,0]=4 198 B8R1.8 ClCCC1=CNC=N1 D82567 [0,0,0,0,1,0|2,0,0]=3 199 B8R1.8 ClCCC1=CNN=C1 AC2763 [0,0,0,0,1,0|3,0,0]=4 200 B8R1.8 N#CCC1=NC=CN1 F17294 [0,0,0,0,1,0|2,0,1]=4 201 B8R1.8 N#CCN1C=CC=C1 F50604 [0,0,0,0,1,0|2,0,1]=4 202 B8R1.8 NCCC1=CN=CN1 S10979 [0,0,0,0,1,0|2,0,1]=4 203 B8R1.8 NCCC1=CNN=C1 AC1363 [0,0,0,0,1,0|3,0,0]=4 204 B8R1.8 NCCC1=CNN=C1 D85886 [0,0,0,0,1,0|3,0,0]=4 205 B8R1.8 NCCC1=COC=N1 AT18667 [0,0,0,0,1,0|2,0,0]=3 206 B8R1.8 NCCC1=NC=CS1 F51904 [0,0,0,0,1,0|2,0,0]=3 207 B8R1.8 NCCC1=NNC=C1 AC2815 [0,0,0,0,1,0|2,0,0]=3 208 B8R1.8 NCCN1C=CC=N1 AT10968 [0,0,0,0,1,0|2,0,0]=3 209 B8R1.8 NCCN1C=CN=N1 C90622 [0,0,0,0,1,0|3,0,0]=4 210 B8R1.8 NNCC1=CC=CS1 P10519 [0,0,0,0,1,0|3,0,0]=4 211 B8R1.8 NNCC1=CSC=C1 P10771 [0,0,0,0,1,0|3,0,0]=4 212 B8R1.8 O=CCC1=CC=CS1 O10539 [0,0,0,0,1,0|2,0,1]=4 213 B8R1.8 O=CCC1=NC=CS1 D88143 [0,0,0,0,1,0|2,0,1]=4 214 B8R1.8 OCCN1C=CN=N1 N16844 [0,0,0,0,1,0|3,0,0]=4 215 B7R0.1 C=CC\C=C\CCC T72633 [1,0,1,0,0,0|0,0,1]=3 216 B7R1.3 ClC1=NC=CC=N1 F20795 [2,0,0,0,0,0|2,0,0]=4 217 B7R1.3 ClC1=NC=NC=C1 F18311 [2,0,0,0,0,0|2,0,0]=4 218 B7R1.3 F[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 40525 [2,0,0,0,0,0|2,0,0]=4 219 B7R1.3 IC1=NC=NC=C1 C15557 [2,0,0,0,0,0|2,0,0]=4 220 B7R1.3 SC1=NN=CC=C1 AT13031 [2,0,0,0,0,0|2,0,0]=4 221 B7R1.3 [15NH2]C1=CC=CC=C1 41405 [2,0,0,0,0,0|2,0,0]=4 222 B7R1.3 [2H]C1=CC=CC=C1 D98570 [2,0,0,0,0,0|2,0,0]=4 223 B7R1.3 [2H]C1=NC=CC=C1 D98277 [2,0,0,0,0,0|1,0,0]=3 224 B9R1.1 BrCC1=NN=C(Br)C=C1 C73657 [1,1,0,0,0,0|2,0,0]=4 225 B9R1.1 CC1=CN=C(CBr)N=C1 95158 [1,1,0,0,0,0|2,0,0]=4 226 B9R1.1 CC1=CN=C(CCl)N=C1 P10954 [1,1,0,0,0,0|2,0,0]=4 227 B9R1.1 CCN1C=CC(=S)C=C1 W16146 [1,1,0,0,0,0|2,0,0]=4 228 B9R1.1 CNC1=CC=C(C)N=N1 AT18436 [1,1,0,0,0,0|2,0,0]=4 229 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [1,1,0,0,0,0|2,0,0]=4 230 B9R1.1 CNC1=NC=C(Cl)C=N1 AT18415 [1,1,0,0,0,0|2,0,0]=4 231 B9R1.1 CNC1=NC=C(F)C=N1 AT18273 [1,1,0,0,0,0|2,0,0]=4 232 B9R1.1 CNC1=NC=C(N)C=C1 Y13586 [1,1,0,0,0,0|1,0,0]=3 233 B9R1.1 COC1=CN=C(I)C=N1 D75305 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.1 COC1=NNC(=O)C=C1 AT17771 [1,1,0,0,0,0|2,0,0]=4 235 B9R1.1 CSC1=NC=C(C)C=N1 E70474 [1,1,0,0,0,0|2,0,0]=4 236 B9R1.1 CSC1=NC=C(N)C=C1 D73901 [1,1,0,0,0,0|1,0,0]=3 237 B9R1.1 CSC1=NC=C(N)N=C1 92096 [1,1,0,0,0,0|2,0,0]=4 238 B9R1.1 CSC1=NN=C(Br)C=C1 AT17781 [1,1,0,0,0,0|2,0,0]=4 239 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [1,1,0,0,0,0|2,0,0]=4 240 B9R1.1 ClC1=CN=C(CBr)C=C1 S12201 [1,1,0,0,0,0|1,0,0]=3 241 B9R1.1 ClC1=CN=C(CBr)C=N1 95144 [1,1,0,0,0,0|2,0,0]=4 242 B9R1.1 ClCC1=NC=C(Br)C=N1 P10957 [1,1,0,0,0,0|2,0,0]=4 243 B9R1.1 ClCC1=NC=C(Cl)C=N1 P10953 [1,1,0,0,0,0|2,0,0]=4 244 B9R1.1 FC1=CN=C(CCl)C=C1 P19178 [1,1,0,0,0,0|1,0,0]=3 245 B9R1.1 NC1=CN=C(CO)N=C1 D78843 [1,1,0,0,0,0|2,0,0]=4 246 B9R1.1 NC1=NN=C(CO)C=C1 AT17786 [1,1,0,0,0,0|2,0,0]=4 247 B9R1.1 NCC1=CC=C(F)C=C1 N12249 [1,1,0,0,0,0|2,0,0]=4 248 B9R1.1 NCC1=CC=C(S)C=C1 AT20992 [1,1,0,0,0,0|2,0,0]=4 249 B9R1.1 NCC1=CN=C(Br)C=N1 F30506 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.1 NCC1=NC=C(F)C=C1 83593 [1,1,0,0,0,0|1,0,0]=3 251 B9R1.1 NCC1=NC=C(F)C=N1 W11735 [1,1,0,0,0,0|2,0,0]=4 252 B9R1.1 NCC1=NC=C(I)C=C1 C91084 [1,1,0,0,0,0|1,0,0]=3 253 B9R1.1 NCC1=NN=C(Cl)C=C1 D84868 [1,1,0,0,0,0|2,0,0]=4 254 B9R1.1 NNC1=NC=C(I)C=C1 C91520 [1,1,0,0,0,0|2,0,0]=4 255 B9R1.1 OCC1=NC=C(O)C=N1 72629 [1,1,0,0,0,0|2,0,0]=4 256 B9R1.1 OCC1=NN=C(Cl)C=C1 AT17814 [1,1,0,0,0,0|2,0,0]=4 257 B9R1.1 [2H]CC1=CC=C(F)C=C1 D98910 [1,1,0,0,0,0|2,0,0]=4 258 B9R1.2 C#CC1=CC=CC(N)=N1 C73323 [1,1,0,0,0,0|0,0,2]=4 259 B9R1.2 CC1=CC(CCl)=NC=N1 F52607 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.2 CC1=CC(CN)=NC=N1 AT18324 [1,1,0,0,0,0|2,0,0]=4 261 B9R1.2 CC1=CC=NC(CCl)=N1 P10964 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.2 CC1=CC=NC(CN)=N1 P10960 [1,1,0,0,0,0|2,0,0]=4 263 B9R1.2 CC1=CN=CC(CCl)=N1 O10514 [1,1,0,0,0,0|2,0,0]=4 264 B9R1.2 CC1=CN=CC(CCl)=N1 Y10493 [1,1,0,0,0,0|2,0,0]=4 265 B9R1.2 CC1=CN=CC(CO)=N1 O10143 [1,1,0,0,0,0|2,0,0]=4 266 B9R1.2 CC1=CN=NC(CN)=C1 P13788 [1,1,0,0,0,0|2,0,0]=4 267 B9R1.2 CC1=NC=CC(CCl)=N1 F53395 [1,1,0,0,0,0|2,0,0]=4 268 B9R1.2 CC1=NC=CC(CN)=N1 F14224 [1,1,0,0,0,0|2,0,0]=4 269 B9R1.2 CCC1=NC=CC(Cl)=N1 W12562 [1,1,0,0,0,0|1,0,0]=3 270 B9R1.2 CNC1=CC(Br)=NC=N1 AT18306 [1,1,0,0,0,0|2,0,0]=4 271 B9R1.2 CNC1=NC=CC(N)=C1 F12690 [1,1,0,0,0,0|1,0,0]=3 272 B9R1.2 CSC1=CN=CC(Cl)=N1 AT24641 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.2 CSC1=NC(N)=NC=C1 AT18329 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.2 C\N=C1\C=C(C)C=CN1 W18359 [1,1,0,0,0,0|1,0,1]=4 275 B9R1.2 ClC1=NC=CC(CBr)=N1 F12213 [1,1,0,0,0,0|2,0,0]=4 276 B9R1.2 ClCC1=NC=CC(Cl)=C1 C13998 [1,1,0,0,0,0|1,0,0]=3 277 B9R1.2 FCC1=CC(Cl)=NC=N1 82110 [1,1,0,0,0,0|2,0,0]=4 278 B9R1.2 N#CC1=NC=CC(I)=C1 P10625 [1,1,0,0,0,0|1,0,1]=4 279 B9R1.2 NCC1=CC=CC(Cl)=N1 C72946 [1,1,0,0,0,0|1,0,0]=3 280 B9R1.2 NCC1=CC=CC(I)=C1 CK2420 [1,1,0,0,0,0|2,0,0]=4 281 B9R1.2 NCC1=CC=CC(O)=N1 F10425 [1,1,0,0,0,0|1,0,0]=3 282 B9R1.2 NCC1=NC=CC(Br)=C1 26892 [1,1,0,0,0,0|1,0,0]=3 283 B9R1.2 NCC1=NC=CC(F)=C1 C71953 [1,1,0,0,0,0|1,0,0]=3 284 B9R1.2 NCC1=NC=CC(N)=C1 77886 [1,1,0,0,0,0|1,0,0]=3 285 B9R1.2 NNC1=NC(N)=CC=C1 C91519 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.2 OCC1=CC(O)=NC=N1 59935 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.2 [2H]CC1=CC=CC(F)=C1 D99661 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.6 CN(C)C1=NC=NC=C1 O12006 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.6 C[C@H](Br)C1=NC=CN=C1 C77147 [1,1,0,0,0,0|1,0,0]=3 290 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13293 [1,1,0,0,0,0|0,0,0]=2 291 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [1,1,0,0,0,0|2,0,0]=4 292 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31048 [1,1,0,0,0,0|2,0,0]=4 293 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [1,1,0,0,0,0|0,0,0]=2 294 B9R1.6 C[C@H](N)C1=NC=CC=N1 72045 [1,1,0,0,0,0|1,0,0]=3 295 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93141 [1,1,0,0,0,0|1,0,0]=3 296 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93144 [1,1,0,0,0,0|1,0,0]=3 297 B9R1.6 C[C@H](N)C1=NC=NC=C1 N10689 [1,1,0,0,0,0|1,0,0]=3 298 B9R1.6 C[C@H](N)C1=NC=NC=C1 P10880 [1,1,0,0,0,0|1,0,0]=3 299 B9R1.6 C[C@H](O)C1=NC=NC=C1 AT18318 [1,1,0,0,0,0|1,0,0]=3 300 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [1,1,0,0,0,0|1,0,1]=4 301 B9R1.15 C#CC1=NC=CC=C1C 79080 [1,1,0,0,0,0|0,0,2]=4 302 B9R1.15 CC1=CC=CN=C1CBr D97530 [1,1,0,0,0,0|1,0,0]=3 303 B9R1.15 CC1=NC=CN=C1CCl P17257 [1,1,0,0,0,0|2,0,0]=4 304 B9R1.15 CC1=NC=CN=C1CN 38702 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.15 CCC1=C(Br)C=CN=C1 H11182 [1,1,0,0,0,0|2,0,0]=4 306 B9R1.15 CCC1=CC=CN=C1C 75814 [1,1,0,0,0,0|2,0,0]=4 307 B9R1.15 CNC1=C(F)C=NC=N1 AT18309 [1,1,0,0,0,0|2,0,0]=4 308 B9R1.15 CNC1=C(I)C=NC=N1 AT18314 [1,1,0,0,0,0|2,0,0]=4 309 B9R1.15 ClC1=CC=CN=C1CBr 79180 [1,1,0,0,0,0|1,0,0]=3 310 B9R1.15 ClC1=CC=CN=C1CBr 86640 [1,1,0,0,0,0|1,0,0]=3 311 B9R1.15 NCC1=C(I)C=CC=C1 AT26620 [1,1,0,0,0,0|2,0,0]=4 312 B9R1.15 NCC1=C(O)C=CC=N1 C73700 [1,1,0,0,0,0|1,0,0]=3 313 B9R1.15 NCC1=[N+]([O-])C=CC=C1 D86206 [1,1,0,0,0,0|1,0,1]=4 314 B9R1.15 NNC1=C(Br)C=CC=N1 F30216 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.15 [2H]CC1=C(F)C=CC=C1 D99779 [1,1,0,0,0,0|2,0,0]=4 316 B9R1.15 [O-][N+]1=C(CCl)N=CC=C1 AT18290 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.7 CC1=CC=C(CCN)S1 31616 [0,1,0,0,1,0|2,0,0]=4 318 B9R1.7 CC1=CNC(CCN)=N1 F17871 [0,1,0,0,1,0|2,0,0]=4 319 B9R1.7 CC1=CSC(CCN)=C1 96997 [0,1,0,0,1,0|2,0,0]=4 320 B9R1.7 CC1=NC(CCN)=CO1 AT18664 [0,1,0,0,1,0|2,0,0]=4 321 B9R1.7 CCCC1=CC(=O)NO1 AC2645 [0,1,0,0,1,0|2,0,0]=4 322 B9R1.7 CCCC1=COC(Br)=N1 AT18459 [0,1,0,0,1,0|1,0,0]=3 323 B9R1.7 CCCC1=NC(Br)=NN1 AT12133 [0,1,0,0,1,0|2,0,0]=4 324 B9R1.7 CCCC1=NN=C(S)O1 AT18828 [0,1,0,0,1,0|2,0,0]=4 325 B9R1.7 CCCN1C=C(N)N=N1 32738 [0,1,0,0,1,0|2,0,0]=4 326 B9R1.7 CCCN1C=CC(O)=N1 AC6302 [0,1,0,0,1,0|1,0,0]=3 327 B9R1.7 CCCN1C=NC(Br)=C1 32861 [0,1,0,0,1,0|2,0,0]=4 328 B9R1.7 CCCN1N=CC(N)=N1 AT21823 [0,1,0,0,1,0|2,0,0]=4 329 B9R1.7 CCOC1=NNC(Br)=C1 P14561 [0,1,0,0,1,0|2,0,0]=4 330 B9R1.7 CCSC1=NC(C)=CS1 H11517 [0,1,0,0,1,0|2,0,0]=4 331 B9R1.7 CN1C=CC(CCO)=N1 AT15991 [0,1,0,0,1,0|2,0,0]=4 332 B9R1.7 CN1C=NC(CCO)=C1 AT15589 [0,1,0,0,1,0|2,0,0]=4 333 B9R1.7 CNCC1=CC=C(C)S1 75578 [0,1,0,0,1,0|2,0,0]=4 334 B9R1.7 CNCC1=CNC(Br)=C1 F13038 [0,1,0,0,1,0|2,0,0]=4 335 B9R1.7 CNCC1=CSC(C)=N1 F30719 [0,1,0,0,1,0|2,0,0]=4 336 B9R1.7 CNCC1=NC(C)=CS1 70492 [0,1,0,0,1,0|2,0,0]=4 337 B9R1.7 CNCC1=NN(C)C=C1 AT14334 [0,1,0,0,1,0|2,0,0]=4 338 B9R1.7 COCC1=CSC(N)=N1 80901 [0,1,0,0,1,0|2,0,0]=4 339 B9R1.7 FCCN1C=C(I)C=N1 AC9590 [0,1,0,0,1,0|2,0,0]=4 340 B9R1.7 NCCC1=NC=C(Br)S1 AT14710 [0,1,0,0,1,0|2,0,0]=4 341 B9R1.7 NCCN1C=C(Br)C=N1 AT16015 [0,1,0,0,1,0|2,0,0]=4 342 B9R1.11 CC[C@H](N)C1=COC=C1 N16720 [0,1,0,0,1,0|1,0,0]=3 343 B9R1.11 CC[C@H](N)C1=COC=C1 N16721 [0,1,0,0,1,0|1,0,0]=3 344 B9R1.11 CC[C@H](N)C1=COC=C1 N16722 [0,1,0,0,1,0|1,0,0]=3 345 B9R1.11 CC[C@H](N)C1=CSC=N1 N14434 [0,1,0,0,1,0|1,0,0]=3 346 B9R1.11 CC[C@H](N)C1=NC=CS1 N14679 [0,1,0,0,1,0|1,0,0]=3 347 B9R1.11 CC[C@H](N)C1=NC=CS1 N14680 [0,1,0,0,1,0|1,0,0]=3 348 B9R1.11 CN[C@@H](C)C1=CSC=N1 F14265 [0,1,0,0,1,0|2,0,0]=4 349 B9R1.11 CN[C@@H](C)C1=NC=CS1 AT10975 [0,1,0,0,1,0|2,0,0]=4 350 B9R1.11 CN[C@@H](C)C1=NOC=C1 AT10964 [0,1,0,0,1,0|2,0,0]=4 351 B9R1.11 N[C@@H](CO)C1=CC=CO1 C78116 [0,1,0,0,1,0|2,0,0]=4 352 B9R1.11 N[C@@H](CO)C1=COC=C1 N16732 [0,1,0,0,1,0|2,0,0]=4 353 B9R1.11 N[C@@H](CO)C1=CSC=C1 N13030 [0,1,0,0,1,0|2,0,0]=4 354 B9R1.11 N[C@@H](CO)C1=CSC=N1 N14696 [0,1,0,0,1,0|2,0,0]=4 355 B9R1.11 N[C@@H](CO)C1=CSC=N1 N14697 [0,1,0,0,1,0|2,0,0]=4 356 B9R1.11 N[C@@H](CO)C1=NC=CS1 N14686 [0,1,0,0,1,0|2,0,0]=4 357 B9R1.11 N[C@@H](CO)C1=NC=CS1 N14688 [0,1,0,0,1,0|2,0,0]=4 358 B9R1.12 BrCCCN1C=CN=N1 AC4640 [0,1,0,0,1,0|2,0,0]=4 359 B9R1.12 BrCCCN1C=NC=N1 AC9760 [0,1,0,0,1,0|2,0,0]=4 360 B9R1.12 CNCCC1=CC=CS1 AT16732 [0,1,0,0,1,0|1,0,0]=3 361 B9R1.12 CNCCC1=CN=CN1 D86292 [0,1,0,0,1,0|1,0,1]=4 362 B9R1.12 CNCCN1C=NC=N1 D76610 [0,1,0,0,1,0|2,0,0]=4 363 B9R1.12 ClCCCN1C=CN=C1 C75518 [0,1,0,0,1,0|2,0,0]=4 364 B9R1.12 ICCCC1=CC=CS1 AC6959 [0,1,0,0,1,0|1,0,0]=3 365 B9R1.12 N#CCCC1=CNC=N1 AT26027 [0,1,0,0,1,0|1,0,1]=4 366 B9R1.12 NCCCC1=NC=CN1 F10426 [0,1,0,0,1,0|1,0,0]=3 367 B9R1.12 NCCCC1=NN=CS1 AT18988 [0,1,0,0,1,0|2,0,0]=4 368 B9R1.12 NCCCN1C=CN=N1 74891 [0,1,0,0,1,0|2,0,0]=4 369 B9R1.12 NCCCN1C=NC=N1 AT12359 [0,1,0,0,1,0|2,0,0]=4 370 B9R1.12 NCCCN1N=CC=N1 74610 [0,1,0,0,1,0|2,0,0]=4 371 B9R1.12 O=CCCN1C=CC=N1 H11819 [0,1,0,0,1,0|1,0,1]=4 372 B9R1.12 OCCCC1=CON=C1 C14065 [0,1,0,0,1,0|2,0,0]=4 373 B9R1.12 OCCNC1=NC=CS1 AT14889 [0,1,0,0,1,0|2,0,0]=4 374 B9R1.13 CC(=O)CC1=CSC=C1 66590 [0,1,0,0,1,0|1,0,1]=4 375 B9R1.13 CC(=O)CN1C=CC=N1 AT23998 [0,1,0,0,1,0|1,0,1]=4 376 B9R1.13 C[C@H](N)CC1=COC=C1 89732 [0,1,0,0,1,0|1,0,0]=3 377 B9R1.13 C[C@H](N)CC1=COC=C1 89733 [0,1,0,0,1,0|1,0,0]=3 378 B9R1.13 C[C@H](N)CC1=COC=C1 89734 [0,1,0,0,1,0|1,0,0]=3 379 B9R1.13 C[C@H](N)CC1=CSC=C1 89730 [0,1,0,0,1,0|1,0,0]=3 380 B9R1.13 C[C@H](N)CC1=NNC=C1 I11135 [0,1,0,0,1,0|1,0,0]=3 381 B9R1.13 C[C@H](N)CN1C=NC=N1 AT12353 [0,1,0,0,1,0|2,0,0]=4 382 B9R1.13 C[C@H](O)CC1=CC=CO1 W11911 [0,1,0,0,1,0|1,0,0]=3 383 B9R1.13 C[C@H](O)CC1=CSC=C1 58210 [0,1,0,0,1,0|1,0,0]=3 384 B9R1.13 C[C@H](O)CC1=CSC=C1 58214 [0,1,0,0,1,0|1,0,0]=3 385 B9R1.13 C[C@H](O)CC1=CSC=C1 58218 [0,1,0,0,1,0|1,0,0]=3 386 B9R1.33 CC1=C(CCN)N=CN1 C15676 [0,1,0,0,1,0|2,0,0]=4 387 B9R1.33 CC1=C(CCN)N=CO1 AT18666 [0,1,0,0,1,0|2,0,0]=4 388 B9R1.33 CCCC1=CNNC1=N W18035 [0,1,0,0,1,0|2,0,0]=4 389 B9R1.33 CCCN1C=CN=C1Br AT15598 [0,1,0,0,1,0|2,0,0]=4 390 B9R1.33 CCCN1C=CN=C1S AT15644 [0,1,0,0,1,0|2,0,0]=4 391 B9R1.33 CCCN1N=CN=C1Br AT12321 [0,1,0,0,1,0|2,0,0]=4 392 B9R1.33 CCOC1=C(C)C=CS1 91672 [0,1,0,0,1,0|2,0,0]=4 393 B9R1.33 CN1C=CN=C1CCN AT24187 [0,1,0,0,1,0|2,0,0]=4 394 B9R1.33 CNCC1=NC=CN1C AT15623 [0,1,0,0,1,0|2,0,0]=4 395 B9R1.33 CNCC1=NSC=C1Br D80074 [0,1,0,0,1,0|2,0,0]=4 396 B11R1.1 CC1=CC=C(CCCN)C=C1 C78299 [0,2,0,0,0,0|1,0,0]=3 397 B11R1.1 CNCCC1=CC=C(Br)C=C1 C78422 [0,2,0,0,0,0|1,0,0]=3 398 B11R1.1 CNCCC1=CC=C(C)C=C1 C78074 [0,2,0,0,0,0|1,0,0]=3 399 B11R1.1 CNCCC1=NC=C(Br)C=N1 AT18381 [0,2,0,0,0,0|1,0,0]=3 400 B11R1.1 COCCC1=CC=C(Br)C=C1 28244 [0,2,0,0,0,0|1,0,0]=3 401 B11R1.1 COCCC1=CC=C(N)C=C1 F11764 [0,2,0,0,0,0|1,0,0]=3 402 B11R1.1 COCOC1=NC=C(Br)C=C1 F19737 [0,2,0,0,0,0|1,0,0]=3 403 B11R1.1 CONCC1=CC=C(Br)C=C1 N11596 [0,2,0,0,0,0|2,0,0]=4 404 B11R1.1 ClC1=CC=C(CCCBr)C=C1 S11935 [0,2,0,0,0,0|1,0,0]=3 405 B11R1.1 N#CCCC1=CC=C(O)C=C1 C15091 [0,2,0,0,0,0|1,0,1]=4 406 B11R1.1 NC1=CC=C(OCCCl)C=C1 72016 [0,2,0,0,0,0|2,0,0]=4 407 B11R1.1 NC1=CC=C(OCCO)C=C1 F16836 [0,2,0,0,0,0|2,0,0]=4 408 B11R1.1 NCCCC1=CC=C(N)C=C1 C78351 [0,2,0,0,0,0|1,0,0]=3 409 B11R1.1 NCCSC1=CC=C(Br)C=C1 C78402 [0,2,0,0,0,0|2,0,0]=4 410 B11R1.1 OCCNC1=CC=C(F)C=C1 I11182 [0,2,0,0,0,0|2,0,0]=4 411 B11R1.1 OCCOC1=NC=C(Br)C=C1 F19748 [0,2,0,0,0,0|1,0,0]=3 412 B11R1.1 OCCSC1=CC=C(Br)C=C1 AT20956 [0,2,0,0,0,0|2,0,0]=4 413 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 N11494 [0,2,0,0,0,0|1,0,1]=4 414 B11R1.20 CC(C)OC1=NC=C(N)C=N1 AT18233 [0,2,0,0,0,0|2,0,0]=4 415 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N14354 [0,2,0,0,0,0|1,0,0]=3 416 B11R1.20 CC1=CN=C(CC(=O)[O-])C=C1 R10046 [0,2,0,0,0,0|1,0,1]=4 417 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y11268 [0,2,0,0,0,0|1,0,0]=3 418 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N10873 [0,2,0,0,0,0|1,0,0]=3 419 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 85180 [0,2,0,0,0,0|1,0,0]=3 420 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13432 [0,2,0,0,0,0|2,0,0]=4 421 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13433 [0,2,0,0,0,0|2,0,0]=4 422 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13434 [0,2,0,0,0,0|2,0,0]=4 423 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13455 [0,2,0,0,0,0|2,0,0]=4 424 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13456 [0,2,0,0,0,0|2,0,0]=4 425 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13457 [0,2,0,0,0,0|2,0,0]=4 426 B11R1.22 CC1=CC=C([C@@H](O)CN)C=C1 C78285 [0,2,0,0,0,0|2,0,0]=4 427 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 O10385 [0,2,0,0,0,0|1,0,0]=3 428 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 N12295 [0,2,0,0,0,0|1,0,0]=3 429 B11R1.22 CNC(=O)C1=NC=C(N)C=C1 AT26730 [0,2,0,0,0,0|1,0,1]=4 430 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y11091 [0,2,0,0,0,0|2,0,0]=4 431 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y11092 [0,2,0,0,0,0|2,0,0]=4 432 B11R1.22 CO[C@@H](C)C1=CC=C(Br)C=C1 N11516 [0,2,0,0,0,0|2,0,0]=4 433 B11R1.22 C[C@@H](CN)C1=CC=C(Cl)C=C1 F20636 [0,2,0,0,0,0|2,0,0]=4 434 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 70995 [0,2,0,0,0,0|2,0,0]=4 435 B11R1.22 NCC(=O)C1=NC=C(Br)C=C1 90935 [0,2,0,0,0,0|1,0,1]=4 436 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13423 [0,2,0,0,0,0|2,0,0]=4 437 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13424 [0,2,0,0,0,0|2,0,0]=4 438 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13425 [0,2,0,0,0,0|2,0,0]=4 439 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13446 [0,2,0,0,0,0|2,0,0]=4 440 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13447 [0,2,0,0,0,0|2,0,0]=4 441 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13448 [0,2,0,0,0,0|2,0,0]=4 442 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N12560 [0,2,0,0,0,0|2,0,0]=4 443 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13414 [0,2,0,0,0,0|2,0,0]=4 444 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13415 [0,2,0,0,0,0|2,0,0]=4 445 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13416 [0,2,0,0,0,0|2,0,0]=4 446 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13438 [0,2,0,0,0,0|2,0,0]=4 447 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13439 [0,2,0,0,0,0|2,0,0]=4 448 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13400 [0,2,0,0,0,0|2,0,0]=4 449 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13401 [0,2,0,0,0,0|2,0,0]=4 450 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13402 [0,2,0,0,0,0|2,0,0]=4 451 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13406 [0,2,0,0,0,0|2,0,0]=4 452 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13407 [0,2,0,0,0,0|2,0,0]=4 453 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13408 [0,2,0,0,0,0|2,0,0]=4 454 B11R1.22 NC[C@H](N)C1=NC=C(Br)C=C1 N14909 [0,2,0,0,0,0|1,0,0]=3 455 B11R1.22 NC[C@H](O)C1=CC=C(Br)C=C1 58433 [0,2,0,0,0,0|2,0,0]=4 456 B11R1.22 NC[C@H](O)C1=CC=C(F)C=C1 C78230 [0,2,0,0,0,0|2,0,0]=4 457 B11R1.22 N[C@@H](CF)C1=CC=C(Br)C=C1 N14615 [0,2,0,0,0,0|2,0,0]=4 458 B11R1.22 N[C@@H](CF)C1=CC=C(F)C=C1 N14614 [0,2,0,0,0,0|2,0,0]=4 459 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N11131 [0,2,0,0,0,0|2,0,0]=4 460 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 F16864 [0,2,0,0,0,0|2,0,0]=4 461 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 F16884 [0,2,0,0,0,0|2,0,0]=4 462 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 N10530 [0,2,0,0,0,0|2,0,0]=4 463 B11R1.22 N[C@@H](CO)C1=NC=C(Br)C=C1 Y11193 [0,2,0,0,0,0|1,0,0]=3 464 B11R1.22 OC[C@H](O)C1=CC=C(Cl)C=C1 FD1217 [0,2,0,0,0,0|2,0,0]=4 465 B11R1.22 O[C@@H](CCl)C1=CC=C(Br)C=C1 58431 [0,2,0,0,0,0|2,0,0]=4 466 B11R1.81 CCCC1=C(O)C=C(C)C=C1 A10895 [0,2,0,0,0,0|1,0,0]=3 467 B11R1.81 CCNC1=C(N)C=C(Br)C=C1 89427 [0,2,0,0,0,0|2,0,0]=4 468 B11R1.81 CCOC1=C(Br)C=C(C)C=N1 93939 [0,2,0,0,0,0|1,0,0]=3 469 B11R1.81 CCOC1=C(Br)C=C(N)C=C1 N12647 [0,2,0,0,0,0|2,0,0]=4 470 B11R1.81 CCOC1=C(C)C=C(N)C=C1 N12561 [0,2,0,0,0,0|2,0,0]=4 471 B11R1.81 CCOC1=NC=C(C)N=C1Br 93936 [0,2,0,0,0,0|2,0,0]=4 472 B11R1.81 CNCC1=C(Cl)C=C(F)C=C1 76695 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.81 CNCC1=C(F)C=C(F)C=C1 36787 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.81 COCC1=C(Cl)C=C(Br)C=C1 N11614 [0,2,0,0,0,0|2,0,0]=4 475 B11R1.81 NCCC1=C(Br)C=C(Br)C=C1 P18612 [0,2,0,0,0,0|2,0,0]=4 476 B11R1.81 NCCC1=C(Br)C=C(Cl)C=C1 AC3186 [0,2,0,0,0,0|2,0,0]=4 477 B11R1.81 NCCC1=C(Br)C=C(F)C=C1 AC7044 [0,2,0,0,0,0|2,0,0]=4 478 B11R1.81 NCCC1=C(F)C=C(Br)C=C1 50240 [0,2,0,0,0,0|2,0,0]=4 479 B11R1.81 NCCC1=C(F)C=C(O)C=C1 F51014 [0,2,0,0,0,0|2,0,0]=4 480 B11R1.81 OCCC1=C(Br)C=C(Cl)C=C1 D85895 [0,2,0,0,0,0|2,0,0]=4 481 B11R1.81 OCCC1=C(F)C=C(F)C=C1 A50720 [0,2,0,0,0,0|2,0,0]=4 482 B11R1.83 C=CC1=CC=C(CCCl)C=C1 AC7198 [0,2,0,0,0,0|2,0,0]=4 483 B11R1.83 C=CC1=CC=C(CCO)C=C1 AC6179 [0,2,0,0,0,0|2,0,0]=4 484 B11R1.83 CCCC1=CC=C(CBr)C=C1 C13395 [0,2,0,0,0,0|1,0,0]=3 485 B11R1.83 CCNC1=NC=C(C#N)C=C1 88568 [0,2,0,0,0,0|1,0,0]=3 486 B11R1.83 CCOC1=CC=C(CCl)C=C1 60965 [0,2,0,0,0,0|2,0,0]=4 487 B11R1.83 CCSC1=CC=C(CN)C=C1 AT20991 [0,2,0,0,0,0|2,0,0]=4 488 B11R1.83 COC1=CN=C(CCN)C=C1 C15008 [0,2,0,0,0,0|1,0,0]=3 489 B11R1.83 NCCC1=CC=C(CO)C=C1 20162 [0,2,0,0,0,0|2,0,0]=4 490 B11R1.192 CCCC1=CC(Br)=C(Cl)C=C1 F31327 [0,2,0,0,0,0|1,0,0]=3 491 B11R1.192 CCOC1=CC(F)=C(O)C=C1 94989 [0,2,0,0,0,0|2,0,0]=4 492 B11R1.192 CCOC1=CC(N)=C(N)C=C1 34477 [0,2,0,0,0,0|2,0,0]=4 493 B11R1.192 CCOC1=NC(C)=C(N)C=C1 F51299 [0,2,0,0,0,0|1,0,0]=3 494 B11R1.192 CCSC1=CC(Cl)=C(Br)C=C1 89705 [0,2,0,0,0,0|2,0,0]=4 495 B11R1.192 CNCC1=CC(F)=C(F)C=C1 N12835 [0,2,0,0,0,0|2,0,0]=4 496 B11R1.192 ClC1=C(Cl)C=C(CCBr)C=C1 C78192 [0,2,0,0,0,0|2,0,0]=4 497 B11R1.192 FC1=C(Br)C=CC(CCBr)=C1 AC8493 [0,2,0,0,0,0|2,0,0]=4 498 B11R1.13 CCNC1=NC=CC(Cl)=C1N C91370 [0,2,0,0,0,0|1,0,0]=3 499 B11R1.13 CCNC1=NN=CC(Cl)=C1N 91282 [0,2,0,0,0,0|2,0,0]=4 500 B11R1.13 CCOC1=C(C)C(N)=CC=C1 F18648 [0,2,0,0,0,0|2,0,0]=4 501 B11R1.13 CN1C(=O)C=CN=C1CCN AT13879 [0,2,0,0,0,0|2,0,0]=4 502 B11R1.13 ClC1=CC=CC(CCBr)=C1Cl C78633 [0,2,0,0,0,0|2,0,0]=4 503 B11R1.13 OCCC1=NC=CC(Cl)=C1Br W11042 [0,2,0,0,0,0|1,0,0]=3 504 B11R1.17 BrCCCC1=C(Br)C=CC=C1 C77748 [0,2,0,0,0,0|1,0,0]=3 505 B11R1.17 C=CCCC1=C(Br)C=NC=N1 S10261 [0,2,0,0,0,0|1,0,1]=4 506 B11R1.17 CC1=CC=CN=C1CCCN W10139 [0,2,0,0,0,0|0,0,0]=2 507 B11R1.17 CCCOC1=C(N)C=CC=C1 AC7746 [0,2,0,0,0,0|1,0,0]=3 508 B11R1.17 CCNCC1=C(Cl)C=CC=C1 C16114 [0,2,0,0,0,0|1,0,0]=3 509 B11R1.17 CNCCC1=C(C)C=CC=C1 C78447 [0,2,0,0,0,0|1,0,0]=3 510 B11R1.17 CNCCC1=C(Cl)C=CC=C1 C78279 [0,2,0,0,0,0|1,0,0]=3 511 B11R1.17 ClC1=C(CCCBr)C=CC=C1 C78298 [0,2,0,0,0,0|1,0,0]=3 512 B11R1.17 NCCCC1=C(Cl)C=CC=C1 C78000 [0,2,0,0,0,0|1,0,0]=3 513 B11R1.17 NCCCC1=C(F)C=CC=C1 F20045 [0,2,0,0,0,0|1,0,0]=3 514 B11R1.17 NCCCN1C=CC=CC1=O AT19227 [0,2,0,0,0,0|2,0,0]=4 515 B11R1.17 NCCOC1=C(Cl)C=CC=C1 L10067 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.17 O=C1C=CC=CN1CCCO AT19228 [0,2,0,0,0,0|2,0,0]=4 517 B11R1.17 OCCCC1=C(O)C=CC=N1 85302 [0,2,0,0,0,0|0,0,0]=2 518 B11R1.41 CCC1=C(CCO)C=CC=C1 C15362 [0,2,0,0,0,0|2,0,0]=4 519 B11R1.41 CCNC1=C(OC)C=CC=N1 76883 [0,2,0,0,0,0|1,0,0]=3 520 B11R1.41 CCSC1=C(C#N)C=CC=C1 AT20895 [0,2,0,0,0,0|2,0,0]=4 521 B11R1.86 CC(=O)NC1=C(Br)C=CC=N1 F18386 [0,2,0,0,0,0|1,0,1]=4 522 B11R1.86 CC(C)CC1=NC=CN=C1O 43967 [0,2,0,0,0,0|1,0,0]=3 523 B11R1.86 CC(C)NC1=C(Br)C=CC=C1 C77931 [0,2,0,0,0,0|2,0,0]=4 524 B11R1.86 CC(C)NC1=C(Cl)C=CC=C1 C78464 [0,2,0,0,0,0|2,0,0]=4 525 B11R1.86 CC(C)NC1=C(F)C=CC=C1 C77765 [0,2,0,0,0,0|2,0,0]=4 526 B11R1.86 CC(C)NC1=C(S)C=CC=C1 AC8476 [0,2,0,0,0,0|2,0,0]=4 527 B11R1.86 CC(C)OC1=C(I)C=CC=N1 76901 [0,2,0,0,0,0|1,0,0]=3 528 B11R1.86 CC1=C(C[C@H](C)N)C=CC=C1 N10867 [0,2,0,0,0,0|1,0,0]=3 529 B11R1.86 C[C@H](N)CC1=C(Br)C=CC=C1 N11144 [0,2,0,0,0,0|1,0,0]=3 530 B11R1.86 C[C@H](N)CC1=C(Cl)C=CC=C1 N11063 [0,2,0,0,0,0|1,0,0]=3 531 B11R1.86 C[C@H](O)CC1=C(Br)C=NC=C1 AT12941 [0,2,0,0,0,0|2,0,0]=4 532 B11R1.86 NC(=O)CC1=NC=CC=C1O D87092 [0,2,0,0,0,0|1,0,1]=4 533 B11R1.86 NC1=CC=CN=C1OC(F)F O10518 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.182 CC1=C(CCN)C=C(Cl)C=C1 AT13431 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.182 CCCC1=C(Br)C=CC(O)=C1 57995 [0,2,0,0,0,0|1,0,0]=3 536 B11R1.182 CCCN1C=C(N)C=CC1=O AT19282 [0,2,0,0,0,0|2,0,0]=4 537 B11R1.182 CCNC1=C(N)N=CC(Br)=N1 23955 [0,2,0,0,0,0|2,0,0]=4 538 B11R1.182 CCOC1=C(Cl)C=NC(Cl)=N1 83925 [0,2,0,0,0,0|2,0,0]=4 539 B11R1.182 CCOC1=C(F)C=CC(Br)=C1 H11056 [0,2,0,0,0,0|2,0,0]=4 540 B11R1.182 CNCC1=C(Cl)C=CC(Cl)=C1 76693 [0,2,0,0,0,0|2,0,0]=4 541 B11R1.182 CNCC1=C(F)C=CC(Br)=C1 36267 [0,2,0,0,0,0|2,0,0]=4 542 B11R1.182 COCC1=C(Br)C=CC(F)=C1 N11817 [0,2,0,0,0,0|2,0,0]=4 543 B11R1.182 ClC1=CC(CCBr)=C(Cl)C=C1 C78205 [0,2,0,0,0,0|2,0,0]=4 544 B11R1.182 NCCC1=C(Br)C=CC(Cl)=C1 AT11063 [0,2,0,0,0,0|2,0,0]=4 545 B11R1.182 NCCC1=C(F)C=CC(Br)=C1 N12525 [0,2,0,0,0,0|2,0,0]=4 546 B11R1.182 NCCC1=C(F)C=CC(F)=C1 AT21560 [0,2,0,0,0,0|2,0,0]=4 547 B11R1.222 C=C[C@H](N)C1=NC=CC=C1C N13860 [0,2,0,0,0,0|0,0,2]=4 548 B11R1.222 C=C[C@H](N)C1=NC=CC=C1C N13861 [0,2,0,0,0,0|0,0,2]=4 549 B11R1.222 C=C[C@H](N)C1=NC=CC=C1C N13864 [0,2,0,0,0,0|0,0,2]=4 550 B11R1.222 C=C[C@H](N)C1=NC=CC=C1C N13865 [0,2,0,0,0,0|0,0,2]=4 551 B11R1.222 C=C[C@H](N)C1=NC=CC=C1C N13866 [0,2,0,0,0,0|0,0,2]=4 552 B11R1.222 CC1=C([C@@H](N)CF)C=CC=C1 N14610 [0,2,0,0,0,0|2,0,0]=4 553 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13426 [0,2,0,0,0,0|2,0,0]=4 554 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13427 [0,2,0,0,0,0|2,0,0]=4 555 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13428 [0,2,0,0,0,0|2,0,0]=4 556 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13449 [0,2,0,0,0,0|2,0,0]=4 557 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13450 [0,2,0,0,0,0|2,0,0]=4 558 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13451 [0,2,0,0,0,0|2,0,0]=4 559 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 N15069 [0,2,0,0,0,0|2,0,0]=4 560 B11R1.222 CC1=CC=CN=C1[C@@H](N)CN N14901 [0,2,0,0,0,0|1,0,0]=3 561 B11R1.222 CCC(=O)C1=C(Br)C=CC=C1 72058 [0,2,0,0,0,0|1,0,1]=4 562 B11R1.222 CCC(=O)C1=C(F)C=CC=N1 N14248 [0,2,0,0,0,0|0,0,1]=3 563 B11R1.222 CCC(=O)C1=NC=CC=C1C N12289 [0,2,0,0,0,0|0,0,1]=3 564 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 35361 [0,2,0,0,0,0|1,0,0]=3 565 B11R1.222 CC[C@H](N)C1=C(Br)C=CC=C1 N13015 [0,2,0,0,0,0|1,0,0]=3 566 B11R1.222 CC[C@H](N)C1=C(Cl)C=NC=C1 N14403 [0,2,0,0,0,0|2,0,0]=4 567 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13856 [0,2,0,0,0,0|0,0,0]=2 568 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13857 [0,2,0,0,0,0|0,0,0]=2 569 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13858 [0,2,0,0,0,0|0,0,0]=2 570 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13859 [0,2,0,0,0,0|0,0,0]=2 571 B11R1.222 CC[C@H](O)C1=C(Br)C=CC=C1 N12628 [0,2,0,0,0,0|1,0,0]=3 572 B11R1.222 CC[C@H](O)C1=C(C)C=CC=C1 N14414 [0,2,0,0,0,0|1,0,0]=3 573 B11R1.222 CC[C@H](O)C1=C(Cl)C=CC=C1 N14413 [0,2,0,0,0,0|1,0,0]=3 574 B11R1.222 CNC(=O)C1=NC=CC=C1O C71661 [0,2,0,0,0,0|1,0,1]=4 575 B11R1.222 CN[C@@H](C)C1=C(Br)C=CC=C1 N12718 [0,2,0,0,0,0|2,0,0]=4 576 B11R1.222 CN[C@@H](C)C1=C(C)C=CC=C1 N12531 [0,2,0,0,0,0|2,0,0]=4 577 B11R1.222 CN[C@@H](C)C1=C(O)C=CC=C1 N12719 [0,2,0,0,0,0|2,0,0]=4 578 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13418 [0,2,0,0,0,0|2,0,0]=4 579 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13419 [0,2,0,0,0,0|2,0,0]=4 580 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13441 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13442 [0,2,0,0,0,0|2,0,0]=4 582 B11R1.222 NC[C@H](N)C1=C(Cl)C=CC=C1 N13403 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.222 NC[C@H](N)C1=C(Cl)C=CC=C1 N13409 [0,2,0,0,0,0|2,0,0]=4 584 B11R1.222 NC[C@H](N)C1=C(Cl)C=CC=C1 N13410 [0,2,0,0,0,0|2,0,0]=4 585 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13390 [0,2,0,0,0,0|2,0,0]=4 586 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13391 [0,2,0,0,0,0|2,0,0]=4 587 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13392 [0,2,0,0,0,0|2,0,0]=4 588 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13393 [0,2,0,0,0,0|2,0,0]=4 589 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13394 [0,2,0,0,0,0|2,0,0]=4 590 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13395 [0,2,0,0,0,0|2,0,0]=4 591 B11R1.222 NC[C@H](O)C1=C(Br)C=CC=C1 71742 [0,2,0,0,0,0|2,0,0]=4 592 B11R1.222 NC[C@H](O)C1=C(F)C=CC=C1 C78140 [0,2,0,0,0,0|2,0,0]=4 593 B11R1.222 NC[C@H](O)C1=C(I)C=CC=C1 O10641 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.222 N[C@@H](CF)C1=C(F)C=CC=C1 N14609 [0,2,0,0,0,0|2,0,0]=4 595 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 C77783 [0,2,0,0,0,0|2,0,0]=4 596 B11R1.222 N[C@@H](CO)C1=C(O)C=CC=C1 N15244 [0,2,0,0,0,0|2,0,0]=4 597 B11R1.222 N[C@@H](CO)C1=C(O)C=CC=C1 N15255 [0,2,0,0,0,0|2,0,0]=4 598 B11R1.222 N[C@@H](CO)C1=C(O)C=CC=N1 N14918 [0,2,0,0,0,0|1,0,0]=3 599 B11R1.222 O=C(CBr)C1=NC=CC=C1F F13389 [0,2,0,0,0,0|1,0,1]=4 600 B11R1.605 CCOC1=C(Br)C=CC=C1C N10239 [0,2,0,0,0,0|2,0,0]=4 601 B11R1.605 CCOC1=C(Cl)C=CC=C1N C77678 [0,2,0,0,0,0|2,0,0]=4 602 B11R1.605 CNCC1=C(F)C=CC=C1F 36785 [0,2,0,0,0,0|2,0,0]=4 603 B11R1.605 ClC1=CC=CC(Cl)=C1CCBr C78204 [0,2,0,0,0,0|2,0,0]=4 604 B11R1.605 NCCC1=C(F)C=CC=C1F AT21561 [0,2,0,0,0,0|2,0,0]=4 605 B11R1.605 NCCC1=C(F)C=CC=C1O F50611 [0,2,0,0,0,0|2,0,0]=4 606 B11R1.605 OCCC1=C(F)C=CC=C1F A50722 [0,2,0,0,0,0|2,0,0]=4 607 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13429 [0,2,0,0,0,0|2,0,0]=4 608 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13430 [0,2,0,0,0,0|2,0,0]=4 609 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13431 [0,2,0,0,0,0|2,0,0]=4 610 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13452 [0,2,0,0,0,0|2,0,0]=4 611 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13453 [0,2,0,0,0,0|2,0,0]=4 612 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13454 [0,2,0,0,0,0|2,0,0]=4 613 B11R1.23 CC1=CC=CC([C@@H](O)CN)=C1 C78286 [0,2,0,0,0,0|2,0,0]=4 614 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 34175 [0,2,0,0,0,0|1,0,1]=4 615 B11R1.23 CC[C@H](O)C1=CC(C)=CC=C1 N14416 [0,2,0,0,0,0|1,0,0]=3 616 B11R1.23 CC[C@H](O)C1=CC=CC(Br)=C1 N12527 [0,2,0,0,0,0|1,0,0]=3 617 B11R1.23 CC[C@H](O)C1=CC=CC(Cl)=C1 N12311 [0,2,0,0,0,0|1,0,0]=3 618 B11R1.23 CNC(=O)C1=NC=CC(O)=C1 N13116 [0,2,0,0,0,0|1,0,1]=4 619 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 N12243 [0,2,0,0,0,0|2,0,0]=4 620 B11R1.23 COC(=O)C1=CC=CC(I)=N1 C16472 [0,2,0,0,0,0|1,0,1]=4 621 B11R1.23 COC(=O)C1=NC=CC(O)=C1 AC3417 [0,2,0,0,0,0|1,0,1]=4 622 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13420 [0,2,0,0,0,0|2,0,0]=4 623 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13421 [0,2,0,0,0,0|2,0,0]=4 624 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13422 [0,2,0,0,0,0|2,0,0]=4 625 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13443 [0,2,0,0,0,0|2,0,0]=4 626 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13445 [0,2,0,0,0,0|2,0,0]=4 627 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13411 [0,2,0,0,0,0|2,0,0]=4 628 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13412 [0,2,0,0,0,0|2,0,0]=4 629 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13413 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13435 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13436 [0,2,0,0,0,0|2,0,0]=4 632 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13437 [0,2,0,0,0,0|2,0,0]=4 633 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13396 [0,2,0,0,0,0|2,0,0]=4 634 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13397 [0,2,0,0,0,0|2,0,0]=4 635 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13398 [0,2,0,0,0,0|2,0,0]=4 636 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13399 [0,2,0,0,0,0|2,0,0]=4 637 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13404 [0,2,0,0,0,0|2,0,0]=4 638 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13405 [0,2,0,0,0,0|2,0,0]=4 639 B11R1.23 NC[C@H](O)C1=CC=CC(Br)=C1 58439 [0,2,0,0,0,0|2,0,0]=4 640 B11R1.23 NC[C@H](O)C1=CC=CC(Br)=C1 71528 [0,2,0,0,0,0|2,0,0]=4 641 B11R1.23 NC[C@H](O)C1=CC=CC(Br)=C1 92116 [0,2,0,0,0,0|2,0,0]=4 642 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 58428 [0,2,0,0,0,0|2,0,0]=4 643 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 C78287 [0,2,0,0,0,0|2,0,0]=4 644 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 D77208 [0,2,0,0,0,0|2,0,0]=4 645 B11R1.23 N[C@@H](CF)C1=CC=CC(Br)=C1 N14613 [0,2,0,0,0,0|2,0,0]=4 646 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=N1 Y12117 [0,2,0,0,0,0|1,0,0]=3 647 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 N12818 [0,2,0,0,0,0|2,0,0]=4 648 B11R1.23 N[C@@H](CO)C1=NC=CC(Cl)=C1 N14937 [0,2,0,0,0,0|1,0,0]=3 649 B11R1.23 N[C@@H](CO)C1=NC=CC(Cl)=C1 N14938 [0,2,0,0,0,0|1,0,0]=3 650 B11R1.23 O=C(CBr)C1=NC=CC(Cl)=C1 C16275 [0,2,0,0,0,0|1,0,1]=4 651 B11R1.23 O[C@@H](CCl)C1=CC=CC(Br)=C1 58437 [0,2,0,0,0,0|2,0,0]=4 652 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 58424 [0,2,0,0,0,0|2,0,0]=4 653 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 C72678 [0,2,0,0,0,0|2,0,0]=4 654 B11R1.24 BrCCCC1=CC=CC(Br)=C1 C77758 [0,2,0,0,0,0|1,0,0]=3 655 B11R1.24 BrCCOC1=CC=CC(Br)=C1 98063 [0,2,0,0,0,0|2,0,0]=4 656 B11R1.24 CC1=CC(CCCN)=NC=C1 W10140 [0,2,0,0,0,0|0,0,0]=2 657 B11R1.24 CC1=CC=CC(CCC=O)=C1 C10532 [0,2,0,0,0,0|1,0,1]=4 658 B11R1.24 CC1=CC=CC(OCCO)=N1 N10107 [0,2,0,0,0,0|1,0,0]=3 659 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 C93515 [0,2,0,0,0,0|2,0,0]=4 660 B11R1.24 CCNCC1=CC(Br)=CN=C1 F19801 [0,2,0,0,0,0|2,0,0]=4 661 B11R1.24 CCOCC1=CC=CC(Br)=C1 F17773 [0,2,0,0,0,0|1,0,0]=3 662 B11R1.24 CNCCC1=CC=CC(Br)=C1 C78466 [0,2,0,0,0,0|1,0,0]=3 663 B11R1.24 COCCC1=CC(N)=NC=C1 AT18204 [0,2,0,0,0,0|2,0,0]=4 664 B11R1.24 ClC1=CC=CC(CCCBr)=C1 C78574 [0,2,0,0,0,0|1,0,0]=3 665 B11R1.24 N#CCCC1=CC=CC(F)=C1 97618 [0,2,0,0,0,0|1,0,1]=4 666 B11R1.24 NC1=CC(CCCO)=NC=C1 AC5942 [0,2,0,0,0,0|0,0,0]=2 667 B11R1.24 NC1=CC=CC(OCCO)=C1 C78268 [0,2,0,0,0,0|2,0,0]=4 668 B11R1.24 NCCCC1=CC=CC(F)=C1 97619 [0,2,0,0,0,0|1,0,0]=3 669 B11R1.24 NCCCC1=CC=CC(N)=C1 C78147 [0,2,0,0,0,0|1,0,0]=3 670 B11R1.24 NCCCC1=CC=CC(O)=C1 C78310 [0,2,0,0,0,0|1,0,0]=3 671 B11R1.24 O=CCCC1=CC(O)=CC=C1 F19734 [0,2,0,0,0,0|1,0,1]=4 672 B11R1.24 OCCNC1=CN=CC(Cl)=N1 F15545 [0,2,0,0,0,0|2,0,0]=4 673 B11R1.24 [C-]#[N+]CCC1=CC=CC(F)=C1 50335 [0,2,0,0,0,0|1,0,1]=4 674 B11R1.34 CCCC1=CC(Cl)=NC(C)=N1 76064 [0,2,0,0,0,0|1,0,0]=3 675 B11R1.34 CCNC1=CC(C)=NC(N)=N1 D77581 [0,2,0,0,0,0|2,0,0]=4 676 B11R1.34 CCNC1=NC(C)=CC(Cl)=N1 C75690 [0,2,0,0,0,0|2,0,0]=4 677 B11R1.34 CCOC1=CC(Br)=CC(Br)=C1 N11666 [0,2,0,0,0,0|2,0,0]=4 678 B11R1.34 CCOC1=CC(N)=CC(Cl)=N1 S12144 [0,2,0,0,0,0|1,0,0]=3 679 B11R1.34 CCOC1=NC(Cl)=NC(Cl)=C1 F19672 [0,2,0,0,0,0|2,0,0]=4 680 B11R1.34 CCOC1=NC(O)=CC(=O)N1 88170 [0,2,0,0,0,0|2,0,0]=4 681 B11R1.34 COCC1=CC(Br)=CC(Br)=C1 AT26748 [0,2,0,0,0,0|2,0,0]=4 682 B11R1.34 COCC1=CC(Br)=CC(F)=C1 94138 [0,2,0,0,0,0|2,0,0]=4 683 B11R1.34 COCC1=CC(F)=CC(F)=C1 AT26699 [0,2,0,0,0,0|2,0,0]=4 684 B11R1.34 COCC1=NC(Cl)=CC(Cl)=N1 72076 [0,2,0,0,0,0|2,0,0]=4 685 B11R1.34 ClC1=CC(Cl)=CC(CCBr)=C1 C78597 [0,2,0,0,0,0|2,0,0]=4 686 B11R1.34 NCCC1=CC(Cl)=CC(Cl)=C1 F12494 [0,2,0,0,0,0|2,0,0]=4 687 B11R1.34 OCCC1=CC(Br)=CC(Br)=C1 AT19150 [0,2,0,0,0,0|2,0,0]=4 688 B11R1.34 OCCC1=CC(O)=CC(O)=C1 AT19148 [0,2,0,0,0,0|2,0,0]=4 689 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 N12785 [0,2,0,0,0,0|1,0,1]=4 690 B11R1.157 CC(=O)NC1=CC=CC(Cl)=N1 F17978 [0,2,0,0,0,0|1,0,1]=4 691 B11R1.157 CC(C)CC1=CC=CC(N)=C1 O11024 [0,2,0,0,0,0|1,0,0]=3 692 B11R1.157 CC(C)NC1=CC=CC(Br)=C1 C77831 [0,2,0,0,0,0|2,0,0]=4 693 B11R1.157 CC(C)NC1=CC=CC(Cl)=C1 C78133 [0,2,0,0,0,0|2,0,0]=4 694 B11R1.157 CC(C)NC1=NC=CC(N)=C1 F19784 [0,2,0,0,0,0|1,0,0]=3 695 B11R1.157 CC(C)OC1=CN=CC(Cl)=N1 55121 [0,2,0,0,0,0|2,0,0]=4 696 B11R1.157 CC(C)OC1=NC=CC(N)=C1 AT18134 [0,2,0,0,0,0|1,0,0]=3 697 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 AC5601 [0,2,0,0,0,0|1,0,1]=4 698 B11R1.157 CC1=CC=CC(C[C@H](C)N)=C1 N11054 [0,2,0,0,0,0|1,0,0]=3 699 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 E72139 [0,2,0,0,0,0|1,0,0]=3 700 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 83690 [0,2,0,0,0,0|1,0,0]=3 701 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 N11066 [0,2,0,0,0,0|1,0,0]=3 702 B11R1.157 C[C@H](N)CC1=CC=CC(F)=C1 N10878 [0,2,0,0,0,0|1,0,0]=3 703 B11R1.157 C[S@](=O)CC1=CC(N)=CC=C1 AT15220 [0,2,0,0,0,0|2,0,0]=4 704 B11R1.157 NC1=CC=CC(CC(=O)O)=N1 S12253 [0,2,0,0,0,0|1,0,1]=4 705 B11R1.189 CCCC1=CC=CC(OC)=C1 AC9509 [0,2,0,0,0,0|1,0,0]=3 706 B11R1.189 CCOC1=CC(CN)=CC=C1 N12140 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.189 CCOC1=NC=CC(C=O)=C1 AT18194 [0,2,0,0,0,0|1,0,0]=3 708 B11R1.189 CCSC1=CC(C#N)=CC=C1 AT20900 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.189 COCC1=CC(C#N)=CC=C1 O10889 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.189 COCC1=CC=CC(OC)=C1 N11528 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.189 N#CC1=CC(CCN)=CC=C1 72737 [0,2,0,0,0,0|2,0,0]=4 712 B11R1.7 CC(C)(CBr)C1=CC=CC=C1 D78707 [0,2,0,0,0,0|2,0,0]=4 713 B11R1.7 C[C@](N)(CO)C1=CC=CC=C1 N12768 [0,2,0,0,0,0|2,0,0]=4 714 B11R1.12 CCC(CC)C1=CC=CC=C1 T71625 [0,2,0,0,0,0|1,0,0]=3 715 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 N12976 [0,2,0,0,0,0|2,0,0]=4 716 B11R1.12 COB(OC)C1=NC=CC=C1 60028 [0,2,0,0,0,0|2,0,0]=4 717 B11R1.16 C#CC[C@H](O)C1=CC=CC=C1 W15219 [0,2,0,0,0,0|1,0,1]=4 718 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 N12265 [0,2,0,0,0,0|1,0,0]=3 719 B11R1.16 CCOC(=N)C1=NC=CC=C1 F18164 [0,2,0,0,0,0|0,0,1]=3 720 B11R1.16 CN(CCBr)C1=CC=CC=C1 W15250 [0,2,0,0,0,0|2,0,0]=4 721 B11R1.16 CNC[C@H](C)C1=CC=CC=C1 C11240 [0,2,0,0,0,0|1,0,0]=3 722 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 C11214 [0,2,0,0,0,0|1,0,0]=3 723 B11R1.16 COC[C@H](N)C1=CC=CC=C1 AC6537 [0,2,0,0,0,0|1,0,0]=3 724 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14729 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14730 [0,2,0,0,0,0|1,0,0]=3 726 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 C80043 [0,2,0,0,0,0|1,0,0]=3 727 B11R1.36 C=C(C1=CC=CC=C1)C(C)C W11468 [0,2,0,0,0,0|1,0,1]=4 728 B11R1.36 CC(=O)N(C)C1=NC=CC=C1 63680 [0,2,0,0,0,0|1,0,1]=4 729 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N15518 [0,2,0,0,0,0|1,0,1]=4 730 B11R1.36 CC(C)[C@H](N)C1=CC=CN=C1 74043 [0,2,0,0,0,0|2,0,0]=4 731 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y10672 [0,2,0,0,0,0|0,0,0]=2 732 B11R1.36 CC(C)[C@H](O)C1=CN=CC=C1 AC2743 [0,2,0,0,0,0|2,0,0]=4 733 B11R1.36 CC(O)C(N)C1=CC=CC=C1 N11175 [0,2,0,0,0,0|1,0,0]=3 734 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Y13368 [0,2,0,0,0,0|1,0,0]=3 735 B11R1.36 CC(O)[C@H](N)C1=CC=CC=C1 N15517 [0,2,0,0,0,0|1,0,0]=3 736 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N15522 [0,2,0,0,0,0|1,0,0]=3 737 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 F13376 [0,2,0,0,0,0|1,0,1]=4 738 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 N15519 [0,2,0,0,0,0|1,0,0]=3 739 B11R1.36 N[C@@H](C(=O)O)C1=NC=CC=C1 AC3554 [0,2,0,0,0,0|1,0,1]=4 740 B11R1.36 N[C@H](C1=CC=CC=C1)C(F)F 94363 [0,2,0,0,0,0|2,0,0]=4 741 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F AT21493 [0,2,0,0,0,0|2,0,0]=4 742 B11R1.28 CCCCNC1=CC=NC=C1 F21501 [0,2,0,0,0,0|2,0,0]=4 743 B11R1.28 CCNCCC1=CC=CC=C1 AC5622 [0,2,0,0,0,0|1,0,0]=3 744 B11R1.28 N#CCCNC1=NC=CC=C1 N13320 [0,2,0,0,0,0|0,0,1]=3 745 B11R1.28 NCC\C=C\C1=CC=CC=C1 F15194 [0,2,0,0,0,0|1,0,1]=4 746 B11R1.28 NNCCOC1=CC=CC=C1 AC4849 [0,2,0,0,0,0|2,0,0]=4 747 B11R1.28 NOCCOC1=CC=CC=C1 AT21707 [0,2,0,0,0,0|2,0,0]=4 748 B11R1.28 OCCCCC1=CC=NC=C1 31475 [0,2,0,0,0,0|2,0,0]=4 749 B11R1.28 OCCSSC1=NC=CC=C1 AT21148 [0,2,0,0,0,0|1,0,0]=3 750 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 74053 [0,2,0,0,0,0|1,0,0]=3 751 B11R1.40 C[C@H](C=O)CC1=CC=CC=C1 F16111 [0,2,0,0,0,0|1,0,0]=3 752 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14383 [0,2,0,0,0,0|1,0,0]=3 753 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14384 [0,2,0,0,0,0|1,0,0]=3 754 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14385 [0,2,0,0,0,0|1,0,0]=3 755 B11R1.40 NNC(=O)CC1=NC=CC=C1 AT10923 [0,2,0,0,0,0|1,0,1]=4 756 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 C78372 [0,2,0,0,0,0|1,0,0]=3 757 B11R1.91 CC(=O)CCC1=CC=NC=C1 AT24518 [0,2,0,0,0,0|2,0,0]=4 758 B11R1.91 CC(=O)COC1=NC=CC=C1 AC9007 [0,2,0,0,0,0|0,0,1]=3 759 B11R1.91 CC(C)NCC1=CC=CN=C1 AC5151 [0,2,0,0,0,0|2,0,0]=4 760 B11R1.91 CC(C)NCC1=CC=NC=C1 AC6648 [0,2,0,0,0,0|2,0,0]=4 761 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12753 [0,2,0,0,0,0|1,0,0]=3 762 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12763 [0,2,0,0,0,0|1,0,0]=3 763 B11R1.91 C[C@H](N)CSC1=CC=CC=C1 AT26670 [0,2,0,0,0,0|1,0,0]=3 764 B11R1.91 N=C(N)CCC1=NC=CC=C1 C14497 [0,2,0,0,0,0|0,0,1]=3 765 B11R1.91 NC(=O)CCC1=NC=CC=C1 AC6900 [0,2,0,0,0,0|0,0,1]=3 766 B11R1.91 NC(=O)CCC1=NC=NC=C1 F13616 [0,2,0,0,0,0|1,0,1]=4 767 B11R1.91 O=C(O)CCC1=NC=CN=C1 N12623 [0,2,0,0,0,0|1,0,1]=4 768 B11R1.91 O=C(O)CSC1=NC=CC=C1 AT20604 [0,2,0,0,0,0|1,0,1]=4 769 B11R1.509 CC(C)(Cl)CC1=CC=CC=C1 AC4724 [0,2,0,0,0,0|1,0,0]=3 770 B11R1.509 [2H]C([2H])([2H])CC1=CC=CC=C1 D99355 [0,2,0,0,0,0|2,0,0]=4 771 B9R2.2 C1=CSC(C2CC2)=N1 95281 [0,0,0,1,1,0|1,0,0]=3 772 B9R2.2 C1=NC(C2CC2)=CN1 70406 [0,0,0,1,1,0|1,0,0]=3 773 B9R2.2 C1=NC=NN1C2CC2 AT12049 [0,0,0,1,1,0|2,0,0]=4 774 B9R2.2 C1=NNC=C1C2CC2 A11719 [0,0,0,1,1,0|2,0,0]=4 775 B9R2.3 C1=CC2=C(CNC2)O1 91178 [0,0,0,1,1,0|2,0,0]=4 776 B9R2.3 C1=NC2=C(CNC2)S1 AC2026 [0,0,0,1,1,0|2,0,0]=4 777 B9R2.3 C1=NN2CCOC2=C1 AT11029 [0,0,0,1,1,0|2,0,0]=4 778 B11R2.34 BrC1=NN=C(C2CC2)C=C1 F13549 [0,1,0,1,0,0|1,0,0]=3 779 B11R2.34 CC1=CC=C(C2CC2)C=C1 AC9737 [0,1,0,1,0,0|1,0,0]=3 780 B11R2.34 ClC1=CC=C(C2CC2)C=C1 AC9567 [0,1,0,1,0,0|1,0,0]=3 781 B11R2.34 NC1=CC=C(C2CC2)N=N1 AT11528 [0,1,0,1,0,0|1,0,0]=3 782 B11R2.36 CC1=CC2=C(C=C1)CNC2 71833 [0,1,0,1,0,0|2,0,0]=4 783 B11R2.36 CC1=CC2=C(C=C1)CNC2 W10108 [0,1,0,1,0,0|2,0,0]=4 784 B11R2.36 CC1=NC2=C(C=N1)CNC2 85157 [0,1,0,1,0,0|2,0,0]=4 785 B11R2.36 ClC1=CN=C2CNCC2=C1 F19783 [0,1,0,1,0,0|1,0,0]=3 786 B11R2.36 ClC1=NC2=C(C=N1)COC2 AT15172 [0,1,0,1,0,0|2,0,0]=4 787 B11R2.36 FC1=CC2=C(C=C1)CCC2 36515 [0,1,0,1,0,0|1,0,0]=3 788 B11R2.36 IC1=CC2=C(C=C1)CCC2 C12643 [0,1,0,1,0,0|1,0,0]=3 789 B11R2.36 IC1=CC2=C(C=C1)CNC2 32000 [0,1,0,1,0,0|2,0,0]=4 790 B11R2.36 NC1=CC2=C(C=C1)CNC2 SC4171 [0,1,0,1,0,0|2,0,0]=4 791 B11R2.36 NC1=CC2=C(C=C1)OCC2 88994 [0,1,0,1,0,0|2,0,0]=4 792 B11R2.36 NC1=CN=C2CCCC2=C1 F30816 [0,1,0,1,0,0|0,0,0]=2 793 B11R2.36 NC1=NC2=C(C=N1)CCC2 F20254 [0,1,0,1,0,0|1,0,0]=3 794 B11R2.36 O=C1C=C2CCCC2=NN1 20277 [0,1,0,1,0,0|1,0,0]=3 795 B11R2.36 OC1=CN=C2CCCC2=C1 F30817 [0,1,0,1,0,0|0,0,0]=2 796 B11R2.36 OC1=NC2=C(C=C1)CCC2 20278 [0,1,0,1,0,0|0,0,0]=2 797 B11R2.10 CC1=NC2=CC=CN=C2N1 F19908 [0,1,0,1,0,0|1,0,1]=4 798 B11R2.10 CC1=NC2=CC=CN=C2S1 75584 [0,1,0,1,0,0|1,0,1]=4 799 B11R2.20 C1=CN=C2CNCCC2=C1 P10652 [0,1,0,1,0,0|0,0,0]=2 800 B11R2.20 C1=NC=C2CCNCC2=N1 P19161 [0,1,0,1,0,0|1,0,0]=3 801 B11R2.55 BrC1=C(C2CC2)C=CN=C1 AT12865 [0,1,0,1,0,0|2,0,0]=4 802 B11R2.55 CC1=C(C2CC2)C=CC=C1 AC9736 [0,1,0,1,0,0|1,0,0]=3 803 B11R2.55 CC1=CC=CN=C1C2CC2 AC9685 [0,1,0,1,0,0|0,0,0]=2 804 B11R2.55 CC1=NC=CC=C1C2CC2 F13571 [0,1,0,1,0,0|2,0,0]=4 805 B11R2.55 ClC1=C([C@@H]2CO2)C=CC=C1 AT10463 [0,1,0,1,0,0|2,0,0]=4 806 B11R2.55 ClC1=C([C@@H]2CO2)C=CC=C1 CK2535 [0,1,0,1,0,0|2,0,0]=4 807 B11R2.55 NC1=C(C2CC2)C=CC=C1 A10978 [0,1,0,1,0,0|1,0,0]=3 808 B11R2.55 NC1=C(C2CC2)C=CN=C1 AT16333 [0,1,0,1,0,0|2,0,0]=4 809 B11R2.55 OC1=C(C2CC2)C=CC=C1 91444 [0,1,0,1,0,0|1,0,0]=3 810 B11R2.106 BrC1=C2CCCC2=NC=C1 F53407 [0,1,0,1,0,0|0,0,0]=2 811 B11R2.106 BrC1=C2CCOC2=CC=C1 F12556 [0,1,0,1,0,0|2,0,0]=4 812 B11R2.106 CC1=C2CCOC2=NC=C1 97225 [0,1,0,1,0,0|1,0,0]=3 813 B11R2.106 CC1=CC=CC2=C1CNC2 W10109 [0,1,0,1,0,0|2,0,0]=4 814 B11R2.106 ClC1=C2CCCC2=CC=C1 N13077 [0,1,0,1,0,0|1,0,0]=3 815 B11R2.106 ClC1=C2CCOC2=NC=C1 97228 [0,1,0,1,0,0|1,0,0]=3 816 B11R2.106 ClC1=C2CNCC2=CC=C1 FD13081 [0,1,0,1,0,0|2,0,0]=4 817 B11R2.106 ClC1=C2CNCC2=NC=C1 S11449 [0,1,0,1,0,0|1,0,0]=3 818 B11R2.106 ClC1=C2OCCC2=CC=C1 F53809 [0,1,0,1,0,0|2,0,0]=4 819 B11R2.106 ClC1=NC=NC2=C1COC2 85700 [0,1,0,1,0,0|2,0,0]=4 820 B11R2.106 ClC1=NC=NC2=C1CSC2 69821 [0,1,0,1,0,0|2,0,0]=4 821 B11R2.106 FC1=C2NCCC2=CC=C1 C73504 [0,1,0,1,0,0|2,0,0]=4 822 B11R2.106 IC1=C2CCOC2=CC=C1 E72245 [0,1,0,1,0,0|2,0,0]=4 823 B11R2.106 NC1=NC=NC2=C1CCN2 C16504 [0,1,0,1,0,0|2,0,0]=4 824 B11R2.106 O=C1C=CC=C2NCCN12 O10576 [0,1,0,1,0,0|1,0,1]=4 825 B11R2.988 NC[C@H]1CC2=C1C=CC=C2 AT20374 [0,1,0,1,0,0|1,0,0]=3 826 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 67862 [0,1,0,1,0,0|1,0,0]=3 827 B11R2.35 BrC1=NC(C2CC2)=NC=C1 55321 [0,1,0,1,0,0|1,0,0]=3 828 B11R2.35 BrC1=NC=NC(C2CC2)=C1 AT21508 [0,1,0,1,0,0|1,0,0]=3 829 B11R2.35 CC1=CC(C2CC2)=NC=C1 AC9117 [0,1,0,1,0,0|0,0,0]=2 830 B11R2.35 CC1=CC(C2CC2)=NC=N1 96956 [0,1,0,1,0,0|1,0,0]=3 831 B11R2.35 CC1=CC=CC(C2CC2)=C1 AC9451 [0,1,0,1,0,0|1,0,0]=3 832 B11R2.35 CC1=CC=CC(C2CC2)=N1 AC9039 [0,1,0,1,0,0|0,0,0]=2 833 B11R2.35 ClC1=CC(C2CC2)=CC=C1 97830 [0,1,0,1,0,0|1,0,0]=3 834 B11R2.35 ClC1=NC=NC(C2CC2)=C1 96952 [0,1,0,1,0,0|1,0,0]=3 835 B11R2.35 NC1=CC(C2CC2)=CN=C1 S11509 [0,1,0,1,0,0|2,0,0]=4 836 B11R2.35 NC1=CC(C2CC2)=NC=C1 F52584 [0,1,0,1,0,0|0,0,0]=2 837 B11R2.35 NC1=NC(C2CC2)=CC=C1 AT24911 [0,1,0,1,0,0|0,0,0]=2 838 B11R2.35 NC1=NC(C2CC2)=CC=N1 AT12433 [0,1,0,1,0,0|1,0,0]=3 839 B11R2.35 NC1=NC(C2CC2)=NC=C1 55320 [0,1,0,1,0,0|1,0,0]=3 840 B11R2.35 OC1=CC(C2CC2)=CC=C1 97835 [0,1,0,1,0,0|1,0,0]=3 841 B11R2.35 OC1=CC(C2CC2)=NC=C1 55360 [0,1,0,1,0,0|0,0,0]=2 842 B11R2.35 OC1=NC(C2CC2)=CC=N1 AT21509 [0,1,0,1,0,0|1,0,0]=3 843 B11R2.35 OC1=NC(C2CC2)=NC=C1 55123 [0,1,0,1,0,0|1,0,0]=3 844 B11R2.35 OC1=NC=NC(C2CC2)=C1 AT21507 [0,1,0,1,0,0|1,0,0]=3 845 B11R2.1 C[C@@H]1N=NC2=NC=CC=C21 F17908 [0,1,0,1,0,0|1,0,0]=3 846 B11R2.1 C[C@@H]1NCC2=NC=NC=C21 82267 [0,1,0,1,0,0|1,0,0]=3 847 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 W18948 [0,1,0,1,0,0|1,0,0]=3 848 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 41003 [0,1,0,1,0,0|1,0,0]=3 849 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D81362 [0,1,0,1,0,0|0,0,0]=2 850 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79496 [0,1,0,1,0,0|0,0,0]=2 851 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11926 [0,1,0,1,0,0|2,0,0]=4 852 B11R2.1 O=C1COC2=C1C=CC=N2 O11821 [0,1,0,1,0,0|1,0,1]=4 853 B11R2.1 O[C@H]1COC2=C1C=CC=C2 AT19563 [0,1,0,1,0,0|2,0,0]=4 854 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C14923 [0,1,0,1,0,0|1,0,0]=3 855 B11R2.40 NC1(C2=CC=NC=C2)CC1 28304 [0,1,0,1,0,0|2,0,0]=4 856 B11R2.40 NC1(C2=NC=CC=C2)CC1 80305 [0,1,0,1,0,0|0,0,0]=2 857 B11R2.40 NC1(C2=NC=CC=C2)CC1 80312 [0,1,0,1,0,0|0,0,0]=2 858 B11R2.40 NC1(C2=NC=CC=N2)CC1 P12924 [0,1,0,1,0,0|1,0,0]=3 859 B11R2.239 C1=CC(C2CNC2)=NC=N1 74669 [0,1,0,1,0,0|1,0,0]=3 860 B11R2.239 C1=CC=C(C2CCC2)C=C1 F52090 [0,1,0,1,0,0|1,0,0]=3 861 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 A50749 [0,1,0,1,0,0|1,0,0]=3 862 B11R2.239 C1=CN=C(C2CNC2)C=C1 F31095 [0,1,0,1,0,0|0,0,0]=2 863 B7R1.1 BrCC1=CNC=N1 AT15560 [1,0,0,0,1,0|2,0,0]=4 864 B7R1.1 BrCC1=COC=N1 F13651 [1,0,0,0,1,0|2,0,0]=4 865 B7R1.1 BrCC1=CSC=N1 70966 [1,0,0,0,1,0|2,0,0]=4 866 B7R1.1 CCC1=CN=CO1 C77473 [1,0,0,0,1,0|2,0,0]=4 867 B7R1.1 CCC1=COC=N1 C77618 [1,0,0,0,1,0|1,0,0]=3 868 B7R1.1 CCC1=NN=CN1 AT12320 [1,0,0,0,1,0|2,0,0]=4 869 B7R1.1 CNC1=NC=CS1 H11141 [1,0,0,0,1,0|2,0,0]=4 870 B7R1.1 COC1=NSC=C1 AT11777 [1,0,0,0,1,0|2,0,0]=4 871 B7R1.1 ClCC1=CNC=N1 70851 [1,0,0,0,1,0|2,0,0]=4 872 B7R1.1 ClCC1=COC=N1 C16353 [1,0,0,0,1,0|2,0,0]=4 873 B7R1.1 ClCC1=CSC=C1 AT17055 [1,0,0,0,1,0|2,0,0]=4 874 B7R1.1 ClCC1=NC=CN1 35198 [1,0,0,0,1,0|2,0,0]=4 875 B7R1.1 ClCC1=NC=CS1 AC6679 [1,0,0,0,1,0|2,0,0]=4 876 B7R1.1 ClCN1C=CC=N1 79341 [1,0,0,0,1,0|2,0,0]=4 877 B7R1.1 NCC1=CNC=N1 C90275 [1,0,0,0,1,0|2,0,0]=4 878 B7R1.1 NCC1=COC=C1 61502 [1,0,0,0,1,0|2,0,0]=4 879 B7R1.1 NCC1=COC=N1 73632 [1,0,0,0,1,0|2,0,0]=4 880 B7R1.1 NCC1=NSC=C1 P10783 [1,0,0,0,1,0|2,0,0]=4 881 B7R1.1 OCC1=CC=CN1 AT16114 [1,0,0,0,1,0|1,0,1]=4 882 B7R1.1 OCC1=NC=CN1 D72609 [1,0,0,0,1,0|2,0,0]=4 883 B7R1.1 SCC1=CC=CS1 T72725 [1,0,0,0,1,0|2,0,0]=4