0 B8R1.2 BrCC1=NC=CC=N1 D79434 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.2 C=CC1=CC=CN=C1 71366 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.2 C=CC1=NC=CN=C1 T72447 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.2 CNC1=CC=CN=N1 79165 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.2 CO[C@@H]1C=CCCC1 D91600 [0,0,0,0,0,0|1,0,3]=4 5 B8R1.2 CSC1=NC=CC=N1 O10841 [0,0,0,0,0,0|1,1,0]=2 6 B8R1.2 ClCC1=NC=NC=C1 A10562 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.2 NCC1=CC=CC=C1 T70846 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.2 NNC1=CC=CN=N1 C15759 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 NNC1=NC=NC=C1 57488 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 SCC1=NC=CN=C1 78318 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [0,0,0,0,0,0|2,0,0]=2 12 B7R1.3 ClC1=CC=NC=C1 F17303 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.3 ClC1=NC=CC=N1 F20795 [1,0,0,0,0,0|2,0,0]=3 14 B7R1.3 ClC1=NC=NC=C1 F18311 [1,0,0,0,0,0|2,0,0]=3 15 B7R1.3 FC1=CC=NC=C1 F19691 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.3 F[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 40525 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.3 IC1=NC=NC=C1 C15557 [1,0,0,0,0,0|2,0,0]=3 18 B7R1.3 OC1=CN=NC=C1 O12057 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.3 SC1=NN=CC=C1 AT13031 [1,0,0,0,0,0|1,1,0]=3 20 B7R1.3 [15NH2]C1=CC=CC=C1 41405 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.3 [2H]C1=CC=CC=C1 D98570 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.3 [2H]C1=CC=NC=C1 D98795 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.3 [2H]C1=NC=CC=C1 D98277 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.1 BrCC1=NN=C(Br)C=C1 C73657 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.1 C#CC1=CN=C(Br)C=N1 AC9603 [0,1,0,0,0,0|2,0,1]=4 26 B9R1.1 C#CC1=NC=C(C)C=N1 AT18269 [0,1,0,0,0,0|2,0,1]=4 27 B9R1.1 C#CC1=NC=C(F)C=N1 AT18276 [0,1,0,0,0,0|2,0,1]=4 28 B9R1.1 CC1=CN=C(CBr)N=C1 95158 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.1 CC1=CN=C(CCl)N=C1 P10954 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.1 CCN1C=CC(=S)C=C1 W16146 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.1 CNC1=CC=C(C)N=N1 AT18436 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.1 CNC1=NC=C(Cl)C=N1 AT18415 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.1 CNC1=NC=C(F)C=N1 AT18273 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.1 CNC1=NC=C(N)C=C1 Y13586 [0,1,0,0,0,0|1,0,0]=2 36 B9R1.1 COC1=CN=C(I)C=C1 F17075 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.1 COC1=CN=C(I)C=N1 D75305 [0,1,0,0,0,0|1,0,0]=2 38 B9R1.1 COC1=NNC(=O)C=C1 AT17771 [0,1,0,0,0,0|1,0,0]=2 39 B9R1.1 CSC1=NC=C(C)C=N1 E70474 [0,1,0,0,0,0|1,1,0]=3 40 B9R1.1 CSC1=NC=C(N)C=C1 D73901 [0,1,0,0,0,0|0,1,0]=2 41 B9R1.1 CSC1=NC=C(N)N=C1 92096 [0,1,0,0,0,0|1,1,0]=3 42 B9R1.1 CSC1=NN=C(Br)C=C1 AT17781 [0,1,0,0,0,0|1,1,0]=3 43 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [0,1,0,0,0,0|1,1,0]=3 44 B9R1.1 ClC1=CN=C(CBr)C=C1 S12201 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.1 ClC1=CN=C(CBr)C=N1 95144 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.1 ClCC1=NC=C(Br)C=N1 P10957 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.1 ClCC1=NC=C(Cl)C=N1 P10953 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.1 FC1=CN=C(CCl)C=C1 P19178 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.1 N#CC1=NN=C(Br)C=C1 AT17778 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.1 N#CC1=NN=C(I)C=C1 AT17817 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.1 NC1=CN=C(CO)N=C1 D78843 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.1 NC1=NN=C(CO)C=C1 AT17786 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.1 NCC1=CC=C(F)C=C1 N12249 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.1 NCC1=CC=C(S)C=C1 AT20992 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.1 NCC1=CN=C(Br)C=N1 F30506 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.1 NCC1=NC=C(F)C=C1 83593 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.1 NCC1=NC=C(F)C=N1 W11735 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.1 NCC1=NC=C(I)C=C1 C91084 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.1 NCC1=NN=C(Cl)C=C1 D84868 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.1 NNC1=CN=C(Br)C=N1 I11308 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.1 NNC1=NC=C(I)C=C1 C91520 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.1 NNC1=NN=C(F)C=C1 AT24743 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.1 O=C1C=CC(=NCl)C=C1 T72753 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.1 O=CC1=CN=C(F)C=N1 P15039 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.1 O=CC1=NC=C(Br)C=N1 38375 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.1 OCC1=NC=C(O)C=N1 72629 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.1 OCC1=NN=C(Cl)C=C1 AT17814 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.1 [2H]CC1=CC=C(F)C=C1 D98910 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.2 C#CC1=CC=CC(N)=N1 C73323 [0,1,0,0,0,0|1,0,1]=3 70 B9R1.2 C#CC1=CC=NC(Cl)=N1 AT12429 [0,1,0,0,0,0|2,0,1]=4 71 B9R1.2 C#CC1=NC(C)=CC=N1 AT18275 [0,1,0,0,0,0|2,0,1]=4 72 B9R1.2 C=CC1=CC=NC(N)=N1 AT12778 [0,1,0,0,0,0|2,0,1]=4 73 B9R1.2 CC1=CC(C=O)=NC=N1 AT18315 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.2 CC1=CC(CCl)=NC=N1 F52607 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.2 CC1=CC(CN)=NC=N1 AT18324 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.2 CC1=CC=NC(CCl)=N1 P10964 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.2 CC1=CC=NC(CN)=N1 P10960 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.2 CC1=CN=CC(CCl)=N1 O10514 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.2 CC1=CN=CC(CCl)=N1 Y10493 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.2 CC1=CN=CC(CO)=N1 O10143 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.2 CC1=CN=NC(CN)=C1 P13788 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.2 CC1=NC=CC(CCl)=N1 F53395 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.2 CC1=NC=CC(CN)=N1 F14224 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.2 CCC1=NC=CC(Cl)=N1 W12562 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.2 CNC1=CC(Br)=NC=N1 AT18306 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.2 CNC1=NC=CC(N)=C1 F12690 [0,1,0,0,0,0|1,0,0]=2 87 B9R1.2 COC1=CC(=O)CCC1 63648 [0,1,0,0,0,0|1,0,2]=4 88 B9R1.2 COC1=CC(O)=NC=C1 F17762 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.2 COC1=CCC=C(C)C1 AC4015 [0,1,0,0,0,0|1,0,1]=3 90 B9R1.2 COC1=CN=CC(N)=C1 P11509 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.2 CSC1=CC(Cl)=CN=C1 AT19857 [0,1,0,0,0,0|2,1,0]=4 92 B9R1.2 CSC1=CN=CC(Cl)=N1 AT24641 [0,1,0,0,0,0|1,1,0]=3 93 B9R1.2 CSC1=NC(N)=NC=C1 AT18329 [0,1,0,0,0,0|1,1,0]=3 94 B9R1.2 CSC1=NN=CC(C)=N1 AT21837 [0,1,0,0,0,0|2,1,0]=4 95 B9R1.2 C\N=C1\C=C(C)C=CN1 W18359 [0,1,0,0,0,0|1,0,1]=3 96 B9R1.2 ClC1=NC=CC(CBr)=N1 F12213 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.2 ClCC1=NC=CC(Cl)=C1 C13998 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.2 FCC1=CC(Cl)=NC=N1 82110 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.2 N#CC1=NC=CC(I)=C1 P10625 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.2 NCC1=CC=CC(Cl)=N1 C72946 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.2 NCC1=CC=CC(I)=C1 CK2420 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.2 NCC1=CC=CC(O)=N1 F10425 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.2 NCC1=NC=CC(Br)=C1 26892 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.2 NCC1=NC=CC(F)=C1 C71953 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.2 NCC1=NC=CC(N)=C1 77886 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.2 NNC1=CC=NC(O)=N1 S10644 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.2 NNC1=NC(=O)NC=C1 H10062 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.2 NNC1=NC(N)=CC=C1 C91519 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.2 OCC1=CC(O)=NC=N1 59935 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.2 [2H]CC1=CC=CC(F)=C1 D99661 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.6 CN(C)C1=NC=NC=C1 O12006 [0,1,0,0,0,0|2,0,0]=3 112 B9R1.6 C[C@H](Br)C1=NC=CN=C1 C77147 [0,1,0,0,0,0|2,0,0]=3 113 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13293 [0,1,0,0,0,0|1,0,0]=2 114 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31048 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [0,1,0,0,0,0|1,0,0]=2 117 B9R1.6 C[C@H](N)C1=NC=CC=N1 72045 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93141 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93144 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.6 C[C@H](N)C1=NC=NC=C1 N10689 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.6 C[C@H](N)C1=NC=NC=C1 P10880 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.6 C[C@H](O)C1=NC=NC=C1 AT18318 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.6 N=C(N)C1=CC=CN=N1 F30256 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.6 N=C(N)C1=NC=NC=C1 F30402 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.6 NC(=O)C1=NC=CC=N1 C11052 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.6 [2H]C(=C)C1=CC=CC=C1 D97969 [0,1,0,0,0,0|2,0,1]=4 129 B9R1.6 [2H]N([2H])C1=CC=CC=C1 D98688 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.8 BrC#CC1=NC=CC=C1 94426 [0,1,0,0,0,0|1,0,1]=3 131 B9R1.8 BrCCC1=CN=CC=C1 C77647 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.8 C#C[I+]C1=CC=CC=C1 T71678 [0,1,0,0,0,0|2,0,1]=4 133 B9R1.8 CCCC1=CC=CN=C1 O11051 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.8 CCNC1=NC=CN=C1 C76036 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.8 CNCC1=NC=CC=N1 27199 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.8 CNCC1=NC=CC=N1 72796 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.8 CNCC1=NC=NC=C1 C14477 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.8 CNNC1=CC=CC=C1 C77159 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.8 FCCC1=CC=CC=C1 75534 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.8 IC#CC1=CC=CC=C1 N11813 [0,1,0,0,0,0|2,0,1]=4 142 B9R1.8 NCCC1=CC=CC=C1 T71816 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.8 NCCC1=CC=CC=C1 T72591 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.8 NCCC1=NC=CC=N1 83201 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.8 NCCC1=NC=CC=N1 P10852 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.8 NCCC1=NC=CN=C1 AT22557 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.8 NCCC1=NC=NC=C1 P10950 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.8 NNCC1=NC=CC=C1 P10521 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.8 NNCC1=NC=CN=C1 D78817 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.8 NNCC1=NC=CN=C1 P19174 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.8 OCCC1=CC=NC=C1 T72404 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.8 OCCC1=NN=CC=C1 D77083 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.8 S=C=NC1=NC=CC=C1 C11368 [0,1,0,0,0,0|1,0,1]=3 154 B9R1.8 SCCC1=NC=CC=C1 F18309 [0,1,0,0,0,0|1,0,0]=2 155 B9R1.15 C#CC1=NC=CC=C1C 79080 [0,1,0,0,0,0|1,0,1]=3 156 B9R1.15 C#CC1=NC=CN=C1Cl N13059 [0,1,0,0,0,0|2,0,1]=4 157 B9R1.15 C=CC1=C(C)C=CC=C1 T72704 [0,1,0,0,0,0|2,0,1]=4 158 B9R1.15 CC1=C(NN)N=NC=C1 O11008 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.15 CC1=CC=CN=C1CBr D97530 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.15 CC1=CC=NN=C1C#N P12501 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.15 CC1=CN=CN=C1C#N F53173 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.15 CC1=NC=CN=C1CCl P17257 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.15 CC1=NC=CN=C1CN 38702 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.15 CCC1=C(Br)C=CN=C1 H11182 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.15 CCC1=CC=CN=C1C 75814 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.15 CNC1=C(F)C=NC=N1 AT18309 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.15 CNC1=C(I)C=NC=N1 AT18314 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.15 COC1=C(Br)C=CN=C1 F10479 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.15 COC1=C(C)C=NC=C1 D74380 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.15 COC1=CC=NNC1=O 76149 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.15 COC1=CN=CN=C1Br O11184 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.15 ClC1=CC=CN=C1CBr 79180 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.15 ClC1=CC=CN=C1CBr 86640 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.15 N#CC1=C(S)C=CC=C1 AT20892 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.15 NCC1=C(I)C=CC=C1 AT26620 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.15 NCC1=C(O)C=CC=N1 C73700 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.15 NCC1=[N+]([O-])C=CC=C1 D86206 [0,1,0,0,0,0|2,0,1]=4 178 B9R1.15 NNC1=C(Br)C=CC=N1 F30216 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.15 [2H]CC1=C(F)C=CC=C1 D99779 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.15 [C-]#[N+]C1=C(Cl)C=CC=C1 AC9402 [0,1,0,0,0,0|2,0,1]=4 181 B9R1.15 [O-][N+]1=C(CCl)N=CC=C1 AT18290 [0,1,0,0,0,0|3,0,0]=4 182 B7R0.3 COC(=O)\C=C\C=O D90666 [0,0,1,0,0,0|2,0,0]=3 183 B7R0.3 COC(=O)\C=C\CO AT12483 [0,0,1,0,0,0|2,0,1]=4 184 B7R1.1 BrCC1=CNC=N1 AT15560 [0,0,0,0,1,0|3,0,0]=4 185 B7R1.1 BrCC1=COC=N1 F13651 [0,0,0,0,1,0|3,0,0]=4 186 B7R1.1 BrCC1=CSC=N1 70966 [0,0,0,0,1,0|3,0,0]=4 187 B7R1.1 C=CC1=NC=CS1 C72532 [0,0,0,0,1,0|2,0,1]=4 188 B7R1.1 CCC1=CN=CO1 C77473 [0,0,0,0,1,0|3,0,0]=4 189 B7R1.1 CCC1=COC=N1 C77618 [0,0,0,0,1,0|2,0,0]=3 190 B7R1.1 CCC1=NN=CN1 AT12320 [0,0,0,0,1,0|3,0,0]=4 191 B7R1.1 CNC1=CNN=C1 AT23101 [0,0,0,0,1,0|3,0,0]=4 192 B7R1.1 CNC1=NC=CS1 H11141 [0,0,0,0,1,0|2,0,0]=3 193 B7R1.1 CNC1=NN=CO1 AT18791 [0,0,0,0,1,0|3,0,0]=4 194 B7R1.1 CNC1=NN=CS1 71255 [0,0,0,0,1,0|3,0,0]=4 195 B7R1.1 COC1=NCCN1 D98226 [0,0,0,0,1,0|1,0,2]=4 196 B7R1.1 COC1=NSC=C1 AT11777 [0,0,0,0,1,0|1,0,0]=2 197 B7R1.1 ClCC1=CNC=N1 70851 [0,0,0,0,1,0|3,0,0]=4 198 B7R1.1 ClCC1=COC=N1 C16353 [0,0,0,0,1,0|3,0,0]=4 199 B7R1.1 ClCC1=CSC=C1 AT17055 [0,0,0,0,1,0|3,0,0]=4 200 B7R1.1 ClCC1=NC=CN1 35198 [0,0,0,0,1,0|3,0,0]=4 201 B7R1.1 ClCC1=NC=CS1 AC6679 [0,0,0,0,1,0|3,0,0]=4 202 B7R1.1 ClCN1C=CC=N1 79341 [0,0,0,0,1,0|3,0,0]=4 203 B7R1.1 NCC1=CNC=N1 C90275 [0,0,0,0,1,0|3,0,0]=4 204 B7R1.1 NCC1=COC=C1 61502 [0,0,0,0,1,0|3,0,0]=4 205 B7R1.1 NCC1=COC=N1 73632 [0,0,0,0,1,0|3,0,0]=4 206 B7R1.1 NCC1=NSC=C1 P10783 [0,0,0,0,1,0|3,0,0]=4 207 B7R1.1 NNC1=CC=CS1 W17128 [0,0,0,0,1,0|3,0,0]=4 208 B7R1.1 NNC1=NC=CN1 25904 [0,0,0,0,1,0|3,0,0]=4 209 B7R1.1 NNC1=NC=CS1 D87841 [0,0,0,0,1,0|3,0,0]=4 210 B7R1.1 OCC1=CC=CN1 AT16114 [0,0,0,0,1,0|2,0,1]=4 211 B7R1.1 OCC1=NC=CN1 D72609 [0,0,0,0,1,0|3,0,0]=4 212 B7R1.1 SCC1=CC=CS1 T72725 [0,0,0,0,1,0|3,0,0]=4 213 B6R0.6 O=C\C=C\C=C\[O-] 98104 [1,0,1,0,0,0|1,0,1]=4 214 B6R0.4 C=C\C=C/C(=O)O C74528 [1,0,1,0,0,0|1,0,0]=3 215 B6R0.4 C=C\C=C\C(=O)O 35918 [1,0,1,0,0,0|1,0,0]=3 216 B8R1.3 BrC1=NN=C(I)C=C1 AT17784 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.3 CC1=CN=C(C)N=C1 C15366 [1,1,0,0,0,0|1,0,0]=3 218 B8R1.3 CC1=CN=C(Cl)N=C1 F13414 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.3 CC1=CN=C(I)N=C1 90174 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.3 CC1=CN=C(O)N=C1 W10551 [1,1,0,0,0,0|1,0,0]=3 221 B8R1.3 CC1=NC=C(I)C=N1 82252 [1,1,0,0,0,0|1,0,0]=3 222 B8R1.3 FC1=CN=C(I)N=C1 89571 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.3 FC1=NC=C(Cl)C=N1 AT18407 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.3 NC1=CC=C(N)N=N1 D78632 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.3 NC1=CN=C(O)C=N1 N13380 [1,1,0,0,0,0|1,0,0]=3 226 B8R1.3 NC1=CN=C(S)C=C1 AT20609 [1,1,0,0,0,0|0,1,0]=3 227 B8R1.3 NC1=NC=C(O)C=N1 D78823 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.3 NC1=NC=C([S-])C=N1 F51717 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.3 NC1=NNC(=O)C=C1 AT17777 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.3 O=C1C=CC(=O)N=N1 83325 [1,1,0,0,0,0|1,0,1]=4 231 B8R1.3 O=C1C=CC(F)=NN1 AT24740 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.3 S=C1N=CC(Cl)=CN1 O11414 [1,1,0,0,0,0|1,1,0]=4 233 B8R1.3 [2H]C1=CC=C(Cl)C=C1 D98354 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.3 [2H]C1=CC=C([2H])C=C1 D99669 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.4 BrC1=CC(I)=NC=C1 A10666 [1,1,0,0,0,0|1,0,0]=3 236 B8R1.4 CC1=CC(I)=NC=C1 D87895 [1,1,0,0,0,0|1,0,0]=3 237 B8R1.4 CC1=CC=NC(I)=N1 N13215 [1,1,0,0,0,0|1,0,0]=3 238 B8R1.4 CC1=NC(N)=CN=N1 D86296 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.4 ClC1=CC(I)=NC=N1 A51177 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.4 ClC1=CC=NC(Br)=N1 81850 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.4 FC1=NC=CC(Br)=N1 AT18301 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.4 NC1=CC=CC(=S)N1 C15708 [1,1,0,0,0,0|0,1,1]=4 243 B8R1.4 O=C1C=C(S)NC=N1 FD7370 [1,1,0,0,0,0|1,0,1]=4 244 B8R1.4 OC1=CC(I)=CN=C1 D74429 [1,1,0,0,0,0|2,0,0]=4 245 B8R1.4 [2H]C1=CC=CC([2H])=C1 D99674 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.4 [2H]C1=CC=CC([2H])=N1 D98925 [1,1,0,0,0,0|1,0,0]=3 247 B8R1.5 BrC1=CN=CN=C1I P11647 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.5 CC1=CN=CN=C1Cl 72600 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.5 CC1=NC=CN=C1I P10643 [1,1,0,0,0,0|1,0,0]=3 250 B8R1.5 CC1=[N+](C)C=CC=C1 D87448 [1,1,0,0,0,0|0,0,1]=3 251 B8R1.5 FC1=CC=CN=C1S AT18759 [1,1,0,0,0,0|0,1,0]=3 252 B8R1.5 FC1=NC=CN=C1I D76573 [1,1,0,0,0,0|2,0,0]=4 253 B8R1.5 IC1=NC=CN=C1I N13386 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.5 OC1=C(Cl)C=NC=N1 25825 [1,1,0,0,0,0|1,0,0]=3 255 B8R1.5 OC1=[13C](O)C=CC=C1 D98565 [1,1,0,0,0,0|1,0,0]=3 256 B8R1.5 [2H]C1=C([2H])C=CC=C1 D97880 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.5 [O-][N+]1=C([S-])C=CC=C1 S12409 [1,1,0,0,0,0|0,1,1]=4 258 B8R1.1 CCC1=CC=C(S)S1 AT16555 [0,1,0,0,1,0|2,0,0]=4 259 B8R1.1 CCC1=CSC(Br)=N1 32166 [0,1,0,0,1,0|2,0,0]=4 260 B8R1.1 CCC1=NC(Br)=CN1 AT15316 [0,1,0,0,1,0|2,0,0]=4 261 B8R1.1 CCC1=NN(C)C=C1 C91459 [0,1,0,0,1,0|2,0,0]=4 262 B8R1.1 CCN1C=C(I)C=N1 77861 [0,1,0,0,1,0|2,0,0]=4 263 B8R1.1 CCN1C=CC(Br)=N1 AT15804 [0,1,0,0,1,0|2,0,0]=4 264 B8R1.1 CCN1C=CC(Cl)=N1 E72194 [0,1,0,0,1,0|2,0,0]=4 265 B8R1.1 CCN1C=CC(O)=N1 AT14005 [0,1,0,0,1,0|2,0,0]=4 266 B8R1.1 CNC1=NC=C(Br)S1 AT14732 [0,1,0,0,1,0|2,0,0]=4 267 B8R1.1 CNC1=NN(C)C=C1 AT14076 [0,1,0,0,1,0|2,0,0]=4 268 B8R1.1 CNC1=NNC(Br)=C1 57327 [0,1,0,0,1,0|2,0,0]=4 269 B8R1.1 CNC1=NNC(C)=C1 57298 [0,1,0,0,1,0|2,0,0]=4 270 B8R1.1 CNC1=NOC(C)=C1 AT19802 [0,1,0,0,1,0|2,0,0]=4 271 B8R1.1 COC1=CC(N)=NN1 76300 [0,1,0,0,1,0|1,0,1]=4 272 B8R1.1 COC1=CC=C(Br)S1 N10622 [0,1,0,0,1,0|1,0,0]=3 273 B8R1.1 COC1=CN(C)N=C1 C91427 [0,1,0,0,1,0|2,0,0]=4 274 B8R1.1 COC1=CSC(Br)=N1 AT14677 [0,1,0,0,1,0|1,0,0]=3 275 B8R1.1 COC1=NC(Br)=NN1 AT12186 [0,1,0,0,1,0|2,0,0]=4 276 B8R1.1 COC1=NC(N)=NN1 AT21267 [0,1,0,0,1,0|2,0,0]=4 277 B8R1.1 COC1=NN(C)C=C1 AT24917 [0,1,0,0,1,0|1,0,0]=3 278 B8R1.1 COC1=NN=C(Br)S1 AT11931 [0,1,0,0,1,0|2,0,0]=4 279 B8R1.1 COC1=NN=C(S)S1 AT18847 [0,1,0,0,1,0|2,0,0]=4 280 B8R1.1 COC1=NNC(Br)=C1 P13052 [0,1,0,0,1,0|1,0,0]=3 281 B8R1.1 COC1=NNC(C)=C1 E71889 [0,1,0,0,1,0|1,0,0]=3 282 B8R1.7 C=C(C)C1=NC=CS1 T71747 [0,1,0,0,1,0|2,0,0]=4 283 B8R1.7 CC(=O)C1=COC=N1 AT18593 [0,1,0,0,1,0|2,0,0]=4 284 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [0,1,0,0,1,0|2,0,0]=4 285 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [0,1,0,0,1,0|2,0,0]=4 286 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [0,1,0,0,1,0|2,0,0]=4 287 B8R1.7 C[C@H](N)C1=COC=C1 AT17538 [0,1,0,0,1,0|2,0,0]=4 288 B8R1.7 C[C@H](N)C1=COC=C1 N16718 [0,1,0,0,1,0|2,0,0]=4 289 B8R1.7 C[C@H](N)C1=CSC=C1 27875 [0,1,0,0,1,0|2,0,0]=4 290 B8R1.7 C[C@H](N)C1=CSC=N1 AT12534 [0,1,0,0,1,0|2,0,0]=4 291 B8R1.7 C[C@H](N)C1=CSC=N1 N14692 [0,1,0,0,1,0|2,0,0]=4 292 B8R1.7 C[C@H](N)C1=CSC=N1 N14693 [0,1,0,0,1,0|2,0,0]=4 293 B8R1.7 C[C@H](N)C1=NC=CN1 AT15627 [0,1,0,0,1,0|2,0,0]=4 294 B8R1.7 C[C@H](N)C1=NC=CN1 AT15630 [0,1,0,0,1,0|2,0,0]=4 295 B8R1.7 C[C@H](N)C1=NC=CN1 W10071 [0,1,0,0,1,0|2,0,0]=4 296 B8R1.7 C[C@H](N)C1=NC=CS1 AT14699 [0,1,0,0,1,0|2,0,0]=4 297 B8R1.7 C[C@H](N)C1=NNC=C1 32104 [0,1,0,0,1,0|2,0,0]=4 298 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [0,1,0,0,1,0|2,0,0]=4 299 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [0,1,0,0,1,0|2,0,0]=4 300 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [0,1,0,0,1,0|2,0,0]=4 301 B8R1.7 C[C@H](O)C1=COC=C1 AT17475 [0,1,0,0,1,0|2,0,0]=4 302 B8R1.7 C[C@H](O)C1=COC=C1 AT17477 [0,1,0,0,1,0|2,0,0]=4 303 B8R1.7 C[C@H](O)C1=COC=N1 F13182 [0,1,0,0,1,0|2,0,0]=4 304 B8R1.7 C[C@H](O)C1=CSC=N1 AT14859 [0,1,0,0,1,0|2,0,0]=4 305 B8R1.7 C[C@H](O)C1=NC=CN1 AT15608 [0,1,0,0,1,0|2,0,0]=4 306 B8R1.7 C[C@H](O)C1=NC=CS1 AT14682 [0,1,0,0,1,0|2,0,0]=4 307 B8R1.7 C[C@H](O)C1=NC=CS1 AT14685 [0,1,0,0,1,0|2,0,0]=4 308 B8R1.7 C[C@H](O)C1=NNC=C1 AT15830 [0,1,0,0,1,0|2,0,0]=4 309 B8R1.7 C[C@H](O)C1=NNC=C1 AT15831 [0,1,0,0,1,0|2,0,0]=4 310 B8R1.7 C[C@H](O)C1=NNC=C1 AT15832 [0,1,0,0,1,0|2,0,0]=4 311 B8R1.8 BrCCC1=CC=CS1 F20027 [0,1,0,0,1,0|2,0,0]=4 312 B8R1.8 CNCC1=CSC=C1 AT16803 [0,1,0,0,1,0|2,0,0]=4 313 B8R1.8 CNCC1=CSC=N1 AT10976 [0,1,0,0,1,0|2,0,0]=4 314 B8R1.8 CNCC1=CSC=N1 AT14743 [0,1,0,0,1,0|2,0,0]=4 315 B8R1.8 CNCC1=NC=CN1 W10149 [0,1,0,0,1,0|2,0,0]=4 316 B8R1.8 CNCC1=NC=CS1 AT10974 [0,1,0,0,1,0|2,0,0]=4 317 B8R1.8 CNCC1=NNC=C1 F31265 [0,1,0,0,1,0|2,0,0]=4 318 B8R1.8 CNCC1=NOC=C1 AT10962 [0,1,0,0,1,0|2,0,0]=4 319 B8R1.8 COCC1=NC=CN1 P10070 [0,1,0,0,1,0|1,0,0]=3 320 B8R1.8 COCC1=NNC=N1 AT12266 [0,1,0,0,1,0|2,0,0]=4 321 B8R1.8 ClCCC1=CNC=N1 D82567 [0,1,0,0,1,0|2,0,0]=4 322 B8R1.8 NCCC1=COC=N1 AT18667 [0,1,0,0,1,0|2,0,0]=4 323 B8R1.8 NCCC1=NC=CS1 F51904 [0,1,0,0,1,0|2,0,0]=4 324 B8R1.8 NCCC1=NNC=C1 AC2815 [0,1,0,0,1,0|2,0,0]=4 325 B8R1.8 NCCN1C=CC=N1 AT10968 [0,1,0,0,1,0|2,0,0]=4 326 B8R1.11 CCC1=C(N)SC=N1 W15853 [0,1,0,0,1,0|2,0,0]=4 327 B8R1.11 CCC1=NNC=C1I I11378 [0,1,0,0,1,0|2,0,0]=4 328 B8R1.11 CCC1=NNC=C1N AT14204 [0,1,0,0,1,0|2,0,0]=4 329 B8R1.11 CCN1N=CC=C1Br F17300 [0,1,0,0,1,0|2,0,0]=4 330 B8R1.11 CCN1N=CC=C1Cl AT15849 [0,1,0,0,1,0|2,0,0]=4 331 B8R1.11 CCN1N=CC=C1O AT14056 [0,1,0,0,1,0|2,0,0]=4 332 B8R1.11 CNC1=NC=CN1C AT15602 [0,1,0,0,1,0|2,0,0]=4 333 B8R1.11 CNC1=NNC=C1C 57305 [0,1,0,0,1,0|2,0,0]=4 334 B8R1.11 COC1=C(Br)C=CS1 AT16340 [0,1,0,0,1,0|1,0,0]=3 335 B8R1.11 COC1=C(Br)SC=N1 AT14705 [0,1,0,0,1,0|1,0,0]=3 336 B8R1.11 COC1=C(C)C=CS1 91670 [0,1,0,0,1,0|1,0,0]=3 337 B8R1.11 COC1=C(N)NN=C1 AT12746 [0,1,0,0,1,0|2,0,0]=4 338 B10R1.1 CC1=CN=C(CCN)N=C1 AT18271 [0,2,0,0,0,0|2,0,0]=4 339 B10R1.1 CCNC1=CC=C(C)N=N1 AT18438 [0,2,0,0,0,0|2,0,0]=4 340 B10R1.1 CCOC1=NC=C(O)C=C1 D75011 [0,2,0,0,0,0|0,0,0]=2 341 B10R1.1 CNCC1=NC=C(Br)C=N1 AT18380 [0,2,0,0,0,0|2,0,0]=4 342 B10R1.1 CNCC1=NC=C(Cl)C=C1 AT26664 [0,2,0,0,0,0|1,0,0]=3 343 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [0,2,0,0,0,0|1,0,0]=3 344 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [0,2,0,0,0,0|1,1,0]=4 345 B10R1.1 N#CCC1=NC=C(F)C=C1 O10489 [0,2,0,0,0,0|1,0,1]=4 346 B10R1.1 NC1=CC=C(OCF)C=C1 68782 [0,2,0,0,0,0|1,0,0]=3 347 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [0,2,0,0,0,0|2,0,0]=4 348 B10R1.1 NCCC1=NC=C(Br)C=C1 P10593 [0,2,0,0,0,0|1,0,0]=3 349 B10R1.1 [BH3-]C1=CN=C(OCC)N=C1 AC8964 [0,2,0,0,0,0|1,0,0]=3 350 B10R1.3 C#CC1=CN=C(C#N)C=C1 94415 [0,2,0,0,0,0|2,0,0]=4 351 B10R1.3 C#CC1=NC=C(C#N)C=C1 94413 [0,2,0,0,0,0|1,0,1]=4 352 B10R1.3 C=CC1=CN=C(OC)C=C1 P11583 [0,2,0,0,0,0|0,0,0]=2 353 B10R1.3 CCC1=CN=C(C=O)C=C1 C74094 [0,2,0,0,0,0|2,0,0]=4 354 B10R1.3 CCC1=CN=C(CCl)C=C1 94422 [0,2,0,0,0,0|2,0,0]=4 355 B10R1.3 CCC1=CN=C(CO)C=C1 94421 [0,2,0,0,0,0|2,0,0]=4 356 B10R1.3 CCC1=NC=C(CN)C=N1 81406 [0,2,0,0,0,0|2,0,0]=4 357 B10R1.3 CNC1=CC=C(CN)C=C1 A10200 [0,2,0,0,0,0|2,0,0]=4 358 B10R1.3 CNC1=CC=C(SC)C=C1 AT20959 [0,2,0,0,0,0|1,1,0]=4 359 B10R1.3 CNC1=CN=C(OC)N=C1 AT18224 [0,2,0,0,0,0|1,0,0]=3 360 B10R1.3 CNC1=NC=C(C=O)C=N1 I11675 [0,2,0,0,0,0|2,0,0]=4 361 B10R1.3 CNC1=NC=C(OC)C=N1 AT18373 [0,2,0,0,0,0|2,0,0]=4 362 B10R1.3 COC1=CN=C(CBr)C=C1 O10507 [0,2,0,0,0,0|2,0,0]=4 363 B10R1.3 COC1=CN=C(NN)C=C1 W15208 [0,2,0,0,0,0|2,0,0]=4 364 B10R1.3 COC1=NC=C(CBr)C=C1 26302 [0,2,0,0,0,0|0,0,0]=2 365 B10R1.3 COC1=NC=C(CCl)C=N1 AT18228 [0,2,0,0,0,0|1,0,0]=3 366 B10R1.3 COC1=NC=C(CCl)C=N1 P14060 [0,2,0,0,0,0|1,0,0]=3 367 B10R1.3 COC1=NC=C(NN)N=C1 BL010282 [0,2,0,0,0,0|1,0,0]=3 368 B10R1.3 COC1=NC=C(SC)C=C1 F50803 [0,2,0,0,0,0|0,0,0]=2 369 B10R1.3 COC1=NN=C(CBr)C=C1 94344 [0,2,0,0,0,0|1,0,0]=3 370 B10R1.3 COC1=NN=C(CCl)C=C1 94346 [0,2,0,0,0,0|1,0,0]=3 371 B10R1.3 CSC1=NC=C(C=O)C=C1 54709 [0,2,0,0,0,0|0,1,0]=3 372 B10R1.3 CSC1=NC=C(CBr)C=N1 AC5893 [0,2,0,0,0,0|1,1,0]=4 373 B10R1.3 N#CC1=NC=C(CN)C=C1 20809 [0,2,0,0,0,0|2,0,0]=4 374 B10R1.3 N#CC1=NC=C(CN)C=C1 AT18624 [0,2,0,0,0,0|2,0,0]=4 375 B10R1.3 N#CC1=NC=C(CO)C=C1 87746 [0,2,0,0,0,0|2,0,0]=4 376 B10R1.3 OCC1=CN=C(CO)C=C1 AC5585 [0,2,0,0,0,0|2,0,0]=4 377 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 AT23890 [0,2,0,0,0,0|1,0,0]=3 378 B10R1.13 C=C(C)C1=NC=C(Br)C=N1 AT18379 [0,2,0,0,0,0|2,0,0]=4 379 B10R1.13 CC(=O)C1=NN=C(C)C=C1 P12332 [0,2,0,0,0,0|2,0,0]=4 380 B10R1.13 CC(C)C1=NC=C(N)C=N1 81917 [0,2,0,0,0,0|2,0,0]=4 381 B10R1.13 CC(C)C1=NN=C(Br)C=C1 C14147 [0,2,0,0,0,0|2,0,0]=4 382 B10R1.13 CC1=CC=C(N(C)N)N=N1 20185 [0,2,0,0,0,0|2,0,0]=4 383 B10R1.13 CC1=CN=C(B(O)O)C=C1 F10369 [0,2,0,0,0,0|2,0,0]=4 384 B10R1.13 CC1=CN=C(B([O-])O)C=C1 AT15741 [0,2,0,0,0,0|2,0,0]=4 385 B10R1.13 CC1=CN=C(C(=N)N)C=C1 W19131 [0,2,0,0,0,0|2,0,0]=4 386 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10705 [0,2,0,0,0,0|1,0,0]=3 387 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56573 [0,2,0,0,0,0|2,0,0]=4 388 B10R1.13 CN(C)C1=CC=C(S)C=C1 T70960 [0,2,0,0,0,0|2,0,0]=4 389 B10R1.13 CN(C)C1=CN=C(I)C=N1 O11454 [0,2,0,0,0,0|2,0,0]=4 390 B10R1.13 CN(C)C1=NC=C(N)C=C1 D74940 [0,2,0,0,0,0|1,0,0]=3 391 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [0,2,0,0,0,0|2,0,0]=4 392 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [0,2,0,0,0,0|2,0,0]=4 393 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D81683 [0,2,0,0,0,0|1,0,0]=3 394 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y10703 [0,2,0,0,0,0|1,0,0]=3 395 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 90531 [0,2,0,0,0,0|1,0,0]=3 396 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N16973 [0,2,0,0,0,0|1,0,0]=3 397 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90529 [0,2,0,0,0,0|1,0,0]=3 398 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 91194 [0,2,0,0,0,0|2,0,0]=4 399 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 P12221 [0,2,0,0,0,0|2,0,0]=4 400 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10690 [0,2,0,0,0,0|1,0,0]=3 401 B10R1.13 C[C@H](O)C1=NC=C(O)C=N1 73092 [0,2,0,0,0,0|2,0,0]=4 402 B10R1.13 N=C(N)C1=NC=C(Br)C=C1 56664 [0,2,0,0,0,0|2,0,0]=4 403 B10R1.13 N=C(N)C1=NC=C(Cl)C=C1 AC8768 [0,2,0,0,0,0|2,0,0]=4 404 B10R1.25 C=CC1=C(Br)C=C(Cl)C=N1 BL010236 [0,2,0,0,0,0|1,0,1]=4 405 B10R1.25 C=CC1=C(Cl)C=C(F)C=N1 BL010212 [0,2,0,0,0,0|1,0,1]=4 406 B10R1.25 C=CC1=NC=C(Cl)C=C1F BL010235 [0,2,0,0,0,0|1,0,1]=4 407 B10R1.25 CC1=CC(Br)=C(C=O)N=C1 53823 [0,2,0,0,0,0|2,0,0]=4 408 B10R1.25 CC1=CC(Cl)=CN=C1C=O 97693 [0,2,0,0,0,0|2,0,0]=4 409 B10R1.25 CC1=CC(F)=CN=C1C#N 55147 [0,2,0,0,0,0|2,0,0]=4 410 B10R1.25 CC1=CN=C(CBr)C(C)=C1 O10504 [0,2,0,0,0,0|2,0,0]=4 411 B10R1.25 CC1=CN=C(CN)C(C)=C1 D73748 [0,2,0,0,0,0|2,0,0]=4 412 B10R1.25 CCC1=C(Br)C=C(Br)C=N1 F14393 [0,2,0,0,0,0|1,0,0]=3 413 B10R1.25 CCC1=C(N)C=C(F)C=C1 F20990 [0,2,0,0,0,0|2,0,0]=4 414 B10R1.25 CNC1=C(Cl)N=C(I)C=N1 N10094 [0,2,0,0,0,0|2,0,0]=4 415 B10R1.25 CNC1=C(F)C=C(Br)C=C1 AT23114 [0,2,0,0,0,0|2,0,0]=4 416 B10R1.25 CNC1=C(F)C=C(Cl)C=C1 C11094 [0,2,0,0,0,0|2,0,0]=4 417 B10R1.25 CNC1=NC=C(C)C=C1N D75084 [0,2,0,0,0,0|1,0,0]=3 418 B10R1.25 CNC1=NC=C(Cl)C=C1F N10103 [0,2,0,0,0,0|1,0,0]=3 419 B10R1.25 COC1=C(Br)C=C(O)C=N1 C72194 [0,2,0,0,0,0|0,0,0]=2 420 B10R1.25 COC1=C(C)N=C(N)C=C1 F53499 [0,2,0,0,0,0|2,0,0]=4 421 B10R1.25 COC1=C(F)C=C(O)C=N1 91782 [0,2,0,0,0,0|0,0,0]=2 422 B10R1.25 COC1=C(I)C=C(C)N=C1 96426 [0,2,0,0,0,0|2,0,0]=4 423 B10R1.25 COC1=C(I)C=C(I)C=C1 AT18541 [0,2,0,0,0,0|1,0,0]=3 424 B10R1.25 COC1=NC=C(Br)N=C1Br 86827 [0,2,0,0,0,0|1,0,0]=3 425 B10R1.25 COC1=NC=C(C)C=C1N D74381 [0,2,0,0,0,0|0,0,0]=2 426 B10R1.25 COC1=NC=C(C)N=C1Br 93937 [0,2,0,0,0,0|1,0,0]=3 427 B10R1.25 COC1=NC=C(Cl)C=C1F N10102 [0,2,0,0,0,0|0,0,0]=2 428 B10R1.25 CSC1=C(Br)C=C(Br)C=C1 C13885 [0,2,0,0,0,0|1,1,0]=4 429 B10R1.25 CSC1=C(F)C=C(O)C=C1 94985 [0,2,0,0,0,0|1,1,0]=4 430 B10R1.25 CSC1=NC=C(Br)C=C1C AT14138 [0,2,0,0,0,0|0,1,0]=3 431 B10R1.25 ClC1=CN=C(CBr)C(Cl)=C1 A51212 [0,2,0,0,0,0|2,0,0]=4 432 B10R1.25 ClCC1=C(Br)C=C(Cl)C=N1 BL010231 [0,2,0,0,0,0|2,0,0]=4 433 B10R1.25 N#CC1=C(F)C=C(O)C=N1 D79759 [0,2,0,0,0,0|2,0,0]=4 434 B10R1.25 NCC1=C(Br)C=C(Br)C=N1 C91443 [0,2,0,0,0,0|2,0,0]=4 435 B10R1.25 NCC1=C(Br)C=C(Cl)C=N1 C91442 [0,2,0,0,0,0|2,0,0]=4 436 B10R1.25 NCC1=C(F)C=C(F)C=N1 AC1076 [0,2,0,0,0,0|2,0,0]=4 437 B10R1.25 NCC1=C(F)C=C(F)C=N1 O10070 [0,2,0,0,0,0|2,0,0]=4 438 B10R1.25 NCC1=NC=C(Br)C=C1F P12061 [0,2,0,0,0,0|2,0,0]=4 439 B10R1.25 NCC1=NC=C(Cl)C=C1F W15622 [0,2,0,0,0,0|2,0,0]=4 440 B10R1.25 NNC1=C(Cl)C=C(F)C=N1 FD10657 [0,2,0,0,0,0|2,0,0]=4 441 B10R1.25 NNC1=NC=C(Br)C=C1F 96144 [0,2,0,0,0,0|2,0,0]=4 442 B10R1.25 NNC1=NC=C(Cl)C=C1F 96147 [0,2,0,0,0,0|2,0,0]=4 443 B10R1.25 O=CC1=C(Cl)C=C(F)C=N1 BL010213 [0,2,0,0,0,0|2,0,0]=4 444 B10R1.25 OCC1=C(Br)C=C(Br)C=N1 C14404 [0,2,0,0,0,0|2,0,0]=4 445 B10R1.176 CC1=C(Br)C=C(CO)N=C1 81452 [0,2,0,0,0,0|2,0,0]=4 446 B10R1.176 CC1=C(Br)C=CC(NN)=N1 80859 [0,2,0,0,0,0|2,0,0]=4 447 B10R1.176 CC1=C(Br)C=NC(CN)=C1 AC7093 [0,2,0,0,0,0|2,0,0]=4 448 B10R1.176 CC1=C(Br)C=NC(CO)=C1 C72572 [0,2,0,0,0,0|2,0,0]=4 449 B10R1.176 CC1=C(C)N=C(C#N)C=C1 Y10192 [0,2,0,0,0,0|2,0,0]=4 450 B10R1.176 CC1=C(F)C=CC(CO)=N1 O10128 [0,2,0,0,0,0|2,0,0]=4 451 B10R1.176 CCC1=CC(N)=C(Br)C=N1 C14681 [0,2,0,0,0,0|1,0,0]=3 452 B10R1.176 CCC1=CC(N)=C(C)C=C1 F21363 [0,2,0,0,0,0|2,0,0]=4 453 B10R1.176 CCC1=CC(O)=C(F)C=C1 F30470 [0,2,0,0,0,0|2,0,0]=4 454 B10R1.176 CCC1=CC(O)=C(O)C=C1 70407 [0,2,0,0,0,0|2,0,0]=4 455 B10R1.176 CCC1=NC(C)=C(O)C=C1 76361 [0,2,0,0,0,0|1,0,0]=3 456 B10R1.176 CNC1=CC(Cl)=C(Br)C=C1 AC3296 [0,2,0,0,0,0|2,0,0]=4 457 B10R1.176 CNC1=CC(Cl)=C(C)C=C1 C77674 [0,2,0,0,0,0|2,0,0]=4 458 B10R1.176 CNC1=CC(F)=C(Br)C=C1 S10823 [0,2,0,0,0,0|2,0,0]=4 459 B10R1.176 CNC1=NC(N)=C(Br)C=N1 AC2848 [0,2,0,0,0,0|2,0,0]=4 460 B10R1.176 COC1=CC(C)=[N+]([O-])C=C1 F18022 [0,2,0,0,0,0|2,0,0]=4 461 B10R1.176 COC1=CC(I)=C(C)C=N1 AT12881 [0,2,0,0,0,0|0,0,0]=2 462 B10R1.176 COC1=CC(I)=C(Cl)N=N1 A12169 [0,2,0,0,0,0|1,0,0]=3 463 B10R1.176 COC1=CC(N)=C(I)C=C1 O10806 [0,2,0,0,0,0|1,0,0]=3 464 B10R1.176 COC1=CC(N)=C(S)C=C1 AT19646 [0,2,0,0,0,0|1,0,0]=3 465 B10R1.176 COC1=CC(N)=C(S)C=C1 AT19647 [0,2,0,0,0,0|1,0,0]=3 466 B10R1.176 COC1=CC(S)=C(N)C=C1 C90511 [0,2,0,0,0,0|1,0,0]=3 467 B10R1.176 COC1=NC(Cl)=C(Br)C=N1 AT18340 [0,2,0,0,0,0|1,0,0]=3 468 B10R1.176 COC1=NC(Cl)=C(I)C=C1 N10091 [0,2,0,0,0,0|0,0,0]=2 469 B10R1.176 COC1=NC=C(Cl)C(Br)=N1 AT18431 [0,2,0,0,0,0|1,0,0]=3 470 B10R1.176 COC1=NC=C(Cl)C(Cl)=N1 AT18337 [0,2,0,0,0,0|1,0,0]=3 471 B10R1.176 COC1=NN=C(Cl)C(C)=C1 C16632 [0,2,0,0,0,0|1,0,0]=3 472 B10R1.176 COC1=N[N+]([O-])=C(Cl)C=C1 H11059 [0,2,0,0,0,0|1,0,0]=3 473 B10R1.176 CSC1=CC(C)=C(Br)C=C1 AT14181 [0,2,0,0,0,0|1,1,0]=4 474 B10R1.176 CSC1=CC(C)=C(Br)C=N1 AT14153 [0,2,0,0,0,0|0,1,0]=3 475 B10R1.176 CSC1=CC(C)=C(O)C=C1 AT20904 [0,2,0,0,0,0|1,1,0]=4 476 B10R1.176 CSC1=CC(N)=C(C)C=C1 AT20856 [0,2,0,0,0,0|1,1,0]=4 477 B10R1.176 CSC1=NC(C)=C(Br)C=C1 AT14158 [0,2,0,0,0,0|0,1,0]=3 478 B10R1.176 CSC1=NC(C)=C(N)C=N1 C16461 [0,2,0,0,0,0|1,1,0]=4 479 B10R1.176 CSC1=NC(O)=C(Cl)C=N1 AC6462 [0,2,0,0,0,0|1,1,0]=4 480 B10R1.176 CSC1=NC=C(C)C(Br)=N1 AC4904 [0,2,0,0,0,0|1,1,0]=4 481 B10R1.176 CSC1=NC=C(Cl)C(I)=N1 AC8687 [0,2,0,0,0,0|1,1,0]=4 482 B10R1.176 NCC1=CC=C(Cl)C(Cl)=N1 D97054 [0,2,0,0,0,0|2,0,0]=4 483 B10R1.176 NNC1=NC(F)=C(Cl)C=C1 AC5346 [0,2,0,0,0,0|2,0,0]=4 484 B10R1.176 OCC1=CC=C(O)C(Br)=N1 F53642 [0,2,0,0,0,0|2,0,0]=4 485 B10R1.2 CC1=C(Br)C=CN=C1NN AT18414 [0,2,0,0,0,0|2,0,0]=4 486 B10R1.2 CCC1=C(Br)C(C)=CC=C1 D85933 [0,2,0,0,0,0|2,0,0]=4 487 B10R1.2 CCC1=CC=CC(Cl)=C1N W13802 [0,2,0,0,0,0|2,0,0]=4 488 B10R1.2 CCC1=NC=NC(Cl)=C1Br F13813 [0,2,0,0,0,0|2,0,0]=4 489 B10R1.2 CCC1=NC=NC(O)=C1Br F13817 [0,2,0,0,0,0|2,0,0]=4 490 B10R1.2 CNC1=CC=CC(F)=C1N AC7422 [0,2,0,0,0,0|2,0,0]=4 491 B10R1.2 CNC1=NC=CC(Cl)=C1N C92709 [0,2,0,0,0,0|1,0,0]=3 492 B10R1.2 CNC1=NC=NC(Cl)=C1Br N10078 [0,2,0,0,0,0|2,0,0]=4 493 B10R1.2 COC1=C(Cl)C(N)=NC=N1 AT18433 [0,2,0,0,0,0|1,0,0]=3 494 B10R1.2 COC1=C(Cl)C(O)=CC=N1 FD10667 [0,2,0,0,0,0|0,0,0]=2 495 B10R1.2 COC1=C(N)C(N)=CC=C1 F52601 [0,2,0,0,0,0|1,0,0]=3 496 B10R1.2 COC1=C(O)C(N)=CC=C1 O10655 [0,2,0,0,0,0|1,0,0]=3 497 B10R1.2 COC1=CC=CC(Cl)=C1N CL9246 [0,2,0,0,0,0|1,0,0]=3 498 B10R1.2 COC1=CC=CC(S)=C1N AT19649 [0,2,0,0,0,0|1,0,0]=3 499 B10R1.2 COC1=CC=C[N+]([O-])=C1Cl F18647 [0,2,0,0,0,0|2,0,0]=4 500 B10R1.2 COC1=CC=NC(F)=C1Cl 91691 [0,2,0,0,0,0|2,0,0]=4 501 B10R1.2 COC1=CC=NC(N)=C1I C16820 [0,2,0,0,0,0|2,0,0]=4 502 B10R1.2 COC1=CN=CC(F)=C1N 93259 [0,2,0,0,0,0|2,0,0]=4 503 B10R1.2 COC1=NC=CC(F)=C1N F53634 [0,2,0,0,0,0|0,0,0]=2 504 B10R1.2 COC1=NC=CC(I)=C1F N11837 [0,2,0,0,0,0|0,0,0]=2 505 B10R1.2 COC1=NC=NC(Cl)=C1Br C15802 [0,2,0,0,0,0|1,0,0]=3 506 B10R1.2 COC1=NC=NC(O)=C1C C14793 [0,2,0,0,0,0|1,0,0]=3 507 B10R1.2 CSC1=C(C)C(N)=CC=C1 AT20858 [0,2,0,0,0,0|1,1,0]=4 508 B10R1.2 CSC1=CC=CC(Br)=C1C AC7030 [0,2,0,0,0,0|1,1,0]=4 509 B10R1.2 N#CC1=C(Cl)C(Cl)=CC=N1 AT13868 [0,2,0,0,0,0|2,0,0]=4 510 B10R1.2 O=CC1=NC=CC(Br)=C1Cl F53264 [0,2,0,0,0,0|2,0,0]=4 511 B10R1.2 O=CC1=NC=CC(Cl)=C1F C14479 [0,2,0,0,0,0|2,0,0]=4 512 B10R1.8 CC1=CC(CCl)=NC(C)=C1 O10512 [0,2,0,0,0,0|2,0,0]=4 513 B10R1.8 CC1=CC(Cl)=CC(C=O)=N1 C77358 [0,2,0,0,0,0|2,0,0]=4 514 B10R1.8 CCC1=CC(C)=CC(Br)=C1 C90915 [0,2,0,0,0,0|2,0,0]=4 515 B10R1.8 CCC1=CC(Cl)=NC(C)=N1 76084 [0,2,0,0,0,0|2,0,0]=4 516 B10R1.8 CCC1=CC(N)=NC(C)=N1 CS1422 [0,2,0,0,0,0|2,0,0]=4 517 B10R1.8 CNC1=CC(I)=CC(Br)=C1 F14267 [0,2,0,0,0,0|2,0,0]=4 518 B10R1.8 CNC1=NC(C)=CC(Cl)=N1 C80055 [0,2,0,0,0,0|2,0,0]=4 519 B10R1.8 COC1=CC(Br)=NC(F)=C1 P18763 [0,2,0,0,0,0|2,0,0]=4 520 B10R1.8 COC1=CC(Br)=NC(O)=C1 AT10291 [0,2,0,0,0,0|2,0,0]=4 521 B10R1.8 COC1=CC(I)=CC(Cl)=N1 N10142 [0,2,0,0,0,0|0,0,0]=2 522 B10R1.8 COC1=CC(I)=CC(F)=C1 AT12533 [0,2,0,0,0,0|1,0,0]=3 523 B10R1.8 COC1=C[C@@H](C)C=C(C)C1 AC6323 [0,2,0,0,0,0|1,0,1]=4 524 B10R1.8 COC1=NC(C)=CC(C)=N1 H10099 [0,2,0,0,0,0|1,0,0]=3 525 B10R1.8 COC1=NC(I)=CC(I)=N1 97034 [0,2,0,0,0,0|1,0,0]=3 526 B10R1.8 COC1=NC(N)=NC(N)=N1 F16744 [0,2,0,0,0,0|2,0,0]=4 527 B10R1.8 COC1=NC(N)=NC(O)=C1 N11825 [0,2,0,0,0,0|1,0,0]=3 528 B10R1.8 COC1=NC(O)=CC(O)=N1 23223 [0,2,0,0,0,0|1,0,0]=3 529 B10R1.8 COC1=NC(O)=NC(C)=C1 C16076 [0,2,0,0,0,0|1,0,0]=3 530 B10R1.8 CSC1=NC(Cl)=NC(Cl)=C1 AT23721 [0,2,0,0,0,0|1,1,0]=4 531 B10R1.8 NCC1=CC(Cl)=CC(Cl)=N1 C91444 [0,2,0,0,0,0|2,0,0]=4 532 B10R1.8 NCC1=CC(Cl)=CC(Cl)=N1 D81608 [0,2,0,0,0,0|2,0,0]=4 533 B10R1.8 O=CC1=CC(F)=CC(Br)=N1 N10043 [0,2,0,0,0,0|2,0,0]=4 534 B10R1.10 CC#CC1=CC=CC(Cl)=N1 94007 [0,2,0,0,0,0|1,0,0]=3 535 B10R1.10 CC1=CC=CC(CCBr)=N1 AC6969 [0,2,0,0,0,0|1,0,0]=3 536 B10R1.10 CC1=CC=CC(CCN)=N1 P19093 [0,2,0,0,0,0|1,0,0]=3 537 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [0,2,0,0,0,0|2,0,0]=4 538 B10R1.10 CCNC1=CC=CC(Cl)=C1 L10102 [0,2,0,0,0,0|2,0,0]=4 539 B10R1.10 CCNC1=CC=CC(O)=C1 F16135 [0,2,0,0,0,0|2,0,0]=4 540 B10R1.10 CCNC1=CN=CC(Cl)=N1 F15512 [0,2,0,0,0,0|2,0,0]=4 541 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [0,2,0,0,0,0|1,0,0]=3 542 B10R1.10 CCOC1=NC(N)=NC=C1 AT18300 [0,2,0,0,0,0|1,0,0]=3 543 B10R1.10 CCOC1=NC=CC(Br)=N1 70402 [0,2,0,0,0,0|1,0,0]=3 544 B10R1.10 CCOC1=NC=CC(Cl)=N1 I11353 [0,2,0,0,0,0|1,0,0]=3 545 B10R1.10 CCSC1=CC(N)=CC=C1 AT20857 [0,2,0,0,0,0|1,1,0]=4 546 B10R1.10 CNCC1=NC(C)=CC=C1 D87644 [0,2,0,0,0,0|1,0,0]=3 547 B10R1.10 CNCC1=NC=CC(Cl)=C1 CS1254 [0,2,0,0,0,0|1,0,0]=3 548 B10R1.10 COCC1=CC(N)=CC=C1 30379 [0,2,0,0,0,0|1,0,0]=3 549 B10R1.10 COCC1=NC=NC(N)=C1 92042 [0,2,0,0,0,0|1,0,0]=3 550 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [0,2,0,0,0,0|1,1,0]=4 551 B10R1.10 N#CCC1=CC=CC(Cl)=N1 O10491 [0,2,0,0,0,0|1,0,1]=4 552 B10R1.10 NC1=CC(CCO)=NC=N1 AC8190 [0,2,0,0,0,0|2,0,0]=4 553 B10R1.10 NCCC1=CC=CC(I)=C1 C78608 [0,2,0,0,0,0|2,0,0]=4 554 B10R1.10 S=C=NC1=CC=CC(Br)=N1 92010 [0,2,0,0,0,0|1,0,1]=4 555 B10R1.30 CC1=C(CO)N=C(Br)C=C1 AT18411 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.30 CC1=CC=C(C)C(C#N)=N1 Y10193 [0,2,0,0,0,0|2,0,0]=4 557 B10R1.30 CC1=CC=C(N)C(C#N)=N1 68796 [0,2,0,0,0,0|2,0,0]=4 558 B10R1.30 CC1=NC(C#N)=C(F)C=C1 C91533 [0,2,0,0,0,0|2,0,0]=4 559 B10R1.30 CC1=NC(C#N)=C(O)C=C1 57115 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.30 CC1=NC(CO)=C(F)C=C1 C91534 [0,2,0,0,0,0|2,0,0]=4 561 B10R1.30 CCC1=C(C)C=CC(C)=C1 T71937 [0,2,0,0,0,0|2,0,0]=4 562 B10R1.30 CNC1=C(Br)C=NC(Cl)=N1 84354 [0,2,0,0,0,0|2,0,0]=4 563 B10R1.30 CNC1=C(Cl)C=NC(Cl)=N1 83928 [0,2,0,0,0,0|2,0,0]=4 564 B10R1.30 CNC1=C(F)C=CC(Br)=C1 AC3023 [0,2,0,0,0,0|2,0,0]=4 565 B10R1.30 CNC1=C(I)C=NC(Cl)=N1 F30750 [0,2,0,0,0,0|2,0,0]=4 566 B10R1.30 CNC1=C(N)C=CC(Cl)=C1 C76710 [0,2,0,0,0,0|2,0,0]=4 567 B10R1.30 CNC1=C(N)C=NC(Cl)=N1 AC4727 [0,2,0,0,0,0|2,0,0]=4 568 B10R1.30 CNC1=C(O)C=CC(C)=C1 C16345 [0,2,0,0,0,0|2,0,0]=4 569 B10R1.30 CNC1=NC(C)=CC=C1N S10557 [0,2,0,0,0,0|1,0,0]=3 570 B10R1.30 COC1=C(C)C=CC(O)=C1 AT19376 [0,2,0,0,0,0|1,0,0]=3 571 B10R1.30 COC1=C(Cl)C=CC(N)=N1 A12809 [0,2,0,0,0,0|0,0,0]=2 572 B10R1.30 COC1=C(I)C=CC(Cl)=N1 AT11606 [0,2,0,0,0,0|0,0,0]=2 573 B10R1.30 COC1=C(S)C=CC(N)=C1 D87749 [0,2,0,0,0,0|1,0,0]=3 574 B10R1.30 COC1=CC(Br)=CN=C1Br N12851 [0,2,0,0,0,0|2,0,0]=4 575 B10R1.30 COC1=CC(Br)=NC=C1F AT26883 [0,2,0,0,0,0|2,0,0]=4 576 B10R1.30 CSC1=C(Br)C=CC(Br)=C1 C13369 [0,2,0,0,0,0|1,1,0]=4 577 B10R1.30 CSC1=C(N)C=CC(C)=C1 AT20827 [0,2,0,0,0,0|1,1,0]=4 578 B10R1.30 ClC1=NC(CBr)=C(Br)C=C1 52492 [0,2,0,0,0,0|2,0,0]=4 579 B10R1.30 FC1=NC(CBr)=C(Br)C=C1 85647 [0,2,0,0,0,0|2,0,0]=4 580 B10R1.30 FCC1=C(F)C=CC(Br)=N1 C92966 [0,2,0,0,0,0|2,0,0]=4 581 B10R1.30 N#CC1=C(F)C=CC(Br)=N1 C91421 [0,2,0,0,0,0|2,0,0]=4 582 B10R1.30 N#CC1=C(O)C=CC(Br)=N1 93874 [0,2,0,0,0,0|2,0,0]=4 583 B10R1.30 NC1=C(C=O)N=C(Cl)C=C1 O10939 [0,2,0,0,0,0|2,0,0]=4 584 B10R1.30 NNC1=C(Br)C=CC(Cl)=N1 AT20364 [0,2,0,0,0,0|2,0,0]=4 585 B10R1.30 NNC1=C(Br)C=CC(Cl)=N1 W10755 [0,2,0,0,0,0|2,0,0]=4 586 B10R1.30 OCC1=C(F)C=CC(Cl)=N1 A10682 [0,2,0,0,0,0|2,0,0]=4 587 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 AC1303 [0,2,0,0,0,0|2,0,0]=4 588 B10R1.113 CC(=O)C1=CC(Cl)=NC=N1 91059 [0,2,0,0,0,0|2,0,0]=4 589 B10R1.113 CC(=O)C1=NC(N)=CC=C1 N14723 [0,2,0,0,0,0|1,0,0]=3 590 B10R1.113 CC(C)C1=NC=CC(Cl)=N1 W12563 [0,2,0,0,0,0|2,0,0]=4 591 B10R1.113 CC1=CC(B(O)O)=NC=C1 83427 [0,2,0,0,0,0|2,0,0]=4 592 B10R1.113 CC1=CC(C(F)F)=NC=C1 C91253 [0,2,0,0,0,0|2,0,0]=4 593 B10R1.113 CC1=CC=CC(B([O-])O)=N1 AT15842 [0,2,0,0,0,0|2,0,0]=4 594 B10R1.113 CC1=CC=CC(C(=N)N)=N1 74734 [0,2,0,0,0,0|2,0,0]=4 595 B10R1.113 CC1=CC=CC(C(C)C)=C1 T71023 [0,2,0,0,0,0|2,0,0]=4 596 B10R1.113 CC1=CC=CC(N(C)C)=N1 N10110 [0,2,0,0,0,0|1,0,0]=3 597 B10R1.113 CC1=CC=CC([C@H](C)N)=N1 N13137 [0,2,0,0,0,0|1,0,0]=3 598 B10R1.113 CC1=NC=CC(C(C)C)=N1 O11252 [0,2,0,0,0,0|2,0,0]=4 599 B10R1.113 CN(C)C1=CC(I)=NC=N1 N10071 [0,2,0,0,0,0|2,0,0]=4 600 B10R1.113 CN(C)C1=CC=CC(F)=N1 AT20362 [0,2,0,0,0,0|1,0,0]=3 601 B10R1.113 CN(C)C1=NC=CC(Cl)=C1 C16301 [0,2,0,0,0,0|1,0,0]=3 602 B10R1.113 CN(C)C1=NC=CC(O)=N1 AT18298 [0,2,0,0,0,0|2,0,0]=4 603 B10R1.113 CN(N)C1=CC=CC(Br)=N1 95484 [0,2,0,0,0,0|1,0,0]=3 604 B10R1.113 C[C@H](Br)C1=CC(Cl)=CC=C1 55213 [0,2,0,0,0,0|2,0,0]=4 605 B10R1.113 C[C@H](Br)C1=CC=CC(Br)=C1 55217 [0,2,0,0,0,0|2,0,0]=4 606 B10R1.113 C[C@H](Br)C1=CC=CC(Br)=N1 55243 [0,2,0,0,0,0|1,0,0]=3 607 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 90539 [0,2,0,0,0,0|1,0,0]=3 608 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 90540 [0,2,0,0,0,0|1,0,0]=3 609 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70883 [0,2,0,0,0,0|2,0,0]=4 610 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y11581 [0,2,0,0,0,0|2,0,0]=4 611 B10R1.113 C[C@H](N)C1=CC=CC(N)=N1 D81409 [0,2,0,0,0,0|1,0,0]=3 612 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 F16880 [0,2,0,0,0,0|2,0,0]=4 613 B10R1.113 C[C@H](N)C1=NC=CC(Br)=C1 90526 [0,2,0,0,0,0|1,0,0]=3 614 B10R1.113 C[C@H](N)C1=NC=CC(Cl)=C1 N14934 [0,2,0,0,0,0|1,0,0]=3 615 B10R1.113 C[C@H](N)C1=NC=CC(Cl)=C1 N14935 [0,2,0,0,0,0|1,0,0]=3 616 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1245 [0,2,0,0,0,0|2,0,0]=4 617 B10R1.113 C[C@H](O)C1=CC=CC(F)=N1 AT10689 [0,2,0,0,0,0|1,0,0]=3 618 B10R1.113 C[C@H](O)C1=CC=CC(O)=C1 59959 [0,2,0,0,0,0|2,0,0]=4 619 B10R1.113 C[C@H](O)C1=NC=CC(F)=C1 AT10691 [0,2,0,0,0,0|1,0,0]=3 620 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50248 [0,2,0,0,0,0|1,1,0]=4 621 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50315 [0,2,0,0,0,0|1,1,0]=4 622 B10R1.113 FC1=NC(C(F)F)=CC=C1 E72212 [0,2,0,0,0,0|2,0,0]=4 623 B10R1.113 N=C(N)C1=CC=CC(Br)=N1 O11565 [0,2,0,0,0,0|2,0,0]=4 624 B10R1.113 N=C(N)C1=NC=CC(Cl)=C1 67989 [0,2,0,0,0,0|2,0,0]=4 625 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 D84548 [0,2,0,0,0,0|2,0,0]=4 626 B10R1.113 O=C(O)C1=NC=CC(O)=C1 AC3399 [0,2,0,0,0,0|2,0,0]=4 627 B10R1.113 O=[N+]([O-])C1=NC(O)=CC=C1 D83533 [0,2,0,0,0,0|2,0,0]=4 628 B10R1.172 BrCC1=CC=CC(CBr)=N1 AC6696 [0,2,0,0,0,0|2,0,0]=4 629 B10R1.172 C#CC1=CC=CC(C#C)=N1 T71310 [0,2,0,0,0,0|1,0,1]=4 630 B10R1.172 C#CC1=CC=CC(C#N)=N1 94417 [0,2,0,0,0,0|1,0,1]=4 631 B10R1.172 C#CC1=NC=CC(OC)=N1 84019 [0,2,0,0,0,0|1,0,0]=3 632 B10R1.172 C=CC1=CC=CC(C#N)=N1 87879 [0,2,0,0,0,0|1,0,1]=4 633 B10R1.172 C=CC1=CC=CC(OC)=N1 52911 [0,2,0,0,0,0|0,0,0]=2 634 B10R1.172 C=CC1=NC=CC(C#N)=C1 52909 [0,2,0,0,0,0|1,0,1]=4 635 B10R1.172 CCC1=CC=CC(C#N)=N1 87882 [0,2,0,0,0,0|1,0,0]=3 636 B10R1.172 CCC1=CC=CC(CO)=C1 D85939 [0,2,0,0,0,0|2,0,0]=4 637 B10R1.172 CCC1=NC=CC(CN)=C1 57083 [0,2,0,0,0,0|1,0,0]=3 638 B10R1.172 CNC1=CC=CC(CO)=C1 AT21037 [0,2,0,0,0,0|2,0,0]=4 639 B10R1.172 CNC1=CC=CC(SC)=C1 AT20859 [0,2,0,0,0,0|1,1,0]=4 640 B10R1.172 CNC1=NC=CC(CO)=C1 AT18191 [0,2,0,0,0,0|1,0,0]=3 641 B10R1.172 CNC1=NC=CC(CO)=N1 D75561 [0,2,0,0,0,0|2,0,0]=4 642 B10R1.172 COC1=CC(CCl)=CN=C1 81942 [0,2,0,0,0,0|2,0,0]=4 643 B10R1.172 COC1=CC(OC)=NN=C1 C73963 [0,2,0,0,0,0|1,0,0]=3 644 B10R1.172 COC1=CC=CC(CCl)=N1 81766 [0,2,0,0,0,0|0,0,0]=2 645 B10R1.172 COC1=CC=NC(C=O)=N1 AT18294 [0,2,0,0,0,0|1,0,0]=3 646 B10R1.172 COC1=NC(C#N)=NC=C1 P11691 [0,2,0,0,0,0|1,0,0]=3 647 B10R1.172 COC1=NC(CN)=CC=C1 79028 [0,2,0,0,0,0|0,0,0]=2 648 B10R1.172 COC1=NC(NN)=CC=C1 F16103 [0,2,0,0,0,0|0,0,0]=2 649 B10R1.172 COC1=NC(NN)=CN=C1 BL010288 [0,2,0,0,0,0|1,0,0]=3 650 B10R1.172 COC1=NC(NN)=NC=C1 CS1194 [0,2,0,0,0,0|1,0,0]=3 651 B10R1.172 COC1=NC=CC(CCl)=C1 P17364 [0,2,0,0,0,0|0,0,0]=2 652 B10R1.172 COC1=NC=CC(CCl)=N1 F30444 [0,2,0,0,0,0|1,0,0]=3 653 B10R1.172 COC1=NC=CC(SC)=C1 F50801 [0,2,0,0,0,0|0,0,0]=2 654 B10R1.172 COC1=NC=NC(CN)=C1 P12885 [0,2,0,0,0,0|1,0,0]=3 655 B10R1.172 CSC1=CC(CN)=CC=C1 N14326 [0,2,0,0,0,0|1,1,0]=4 656 B10R1.172 CSC1=NC(C#N)=CC=N1 26993 [0,2,0,0,0,0|1,1,0]=4 657 B10R1.172 CSC1=NC=CC(CCl)=N1 C16785 [0,2,0,0,0,0|1,1,0]=4 658 B10R1.172 N#CC1=NC=CC(CCl)=C1 C76293 [0,2,0,0,0,0|2,0,0]=4 659 B10R1.172 O=CC1=CC(C=O)=NC=C1 CS1671 [0,2,0,0,0,0|2,0,0]=4 660 B10R1.172 O=CC1=NC=CC(CO)=C1 60952 [0,2,0,0,0,0|2,0,0]=4 661 B10R1.15 C#C[C@@H](O)C1=NC=CC=C1 AC5788 [0,2,0,0,0,0|1,0,1]=4 662 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [0,2,0,0,0,0|2,0,0]=4 663 B10R1.15 CCC(=O)C1=NC=CC=N1 D72036 [0,2,0,0,0,0|2,0,0]=4 664 B10R1.15 CCN(C)C1=NC=CC=C1 T72928 [0,2,0,0,0,0|1,0,0]=3 665 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [0,2,0,0,0,0|2,0,0]=4 666 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10611 [0,2,0,0,0,0|1,0,0]=3 667 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P11367 [0,2,0,0,0,0|2,0,0]=4 668 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P15053 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [0,2,0,0,0,0|2,0,0]=4 670 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [0,2,0,0,0,0|1,0,0]=3 671 B10R1.15 COC(=N)C1=CC=NC=C1 D87808 [0,2,0,0,0,0|2,0,0]=4 672 B10R1.15 COC(=O)N1C=CC=CC1 F21432 [0,2,0,0,0,0|2,0,0]=4 673 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [0,2,0,0,0,0|2,0,0]=4 674 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [0,2,0,0,0,0|2,0,0]=4 675 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10550 [0,2,0,0,0,0|2,0,0]=4 676 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10551 [0,2,0,0,0,0|2,0,0]=4 677 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [0,2,0,0,0,0|2,0,0]=4 678 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [0,2,0,0,0,0|2,0,0]=4 679 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12118 [0,2,0,0,0,0|1,0,0]=3 680 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12119 [0,2,0,0,0,0|1,0,0]=3 681 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12430 [0,2,0,0,0,0|1,0,0]=3 682 B10R1.15 O=C(CBr)C1=NC=CC=N1 F19759 [0,2,0,0,0,0|2,0,0]=4 683 B10R1.15 O=C(CBr)C1=NC=NC=C1 FD10496 [0,2,0,0,0,0|2,0,0]=4 684 B10R1.28 CC(C)(C)C1=NC=CC=C1 C75774 [0,2,0,0,0,0|1,0,0]=3 685 B10R1.28 CC(C)(C)C1=NC=CN=C1 T70779 [0,2,0,0,0,0|2,0,0]=4 686 B10R1.28 CC(C)(N)C1=NC=CC=N1 AT12626 [0,2,0,0,0,0|2,0,0]=4 687 B10R1.28 CC(C)(N)C1=NC=CC=N1 D75134 [0,2,0,0,0,0|2,0,0]=4 688 B10R1.28 CC(C)(O)C1=NC=CC=N1 AT18243 [0,2,0,0,0,0|2,0,0]=4 689 B10R1.28 ClC(Cl)(Cl)C1=NC=CC=C1 S11288 [0,2,0,0,0,0|2,0,0]=4 690 B10R1.28 [2H]C(C)(C)C1=CC=CC=C1 D98007 [0,2,0,0,0,0|2,0,0]=4 691 B10R1.28 [2H]C([2H])(C)C1=CC=CC=C1 D99069 [0,2,0,0,0,0|2,0,0]=4 692 B10R1.28 [2H]C([2H])([2H])C1=NC=CC=C1 D98627 [0,2,0,0,0,0|2,0,0]=4 693 B10R1.28 [2H][C@@](C)(O)C1=CC=CC=C1 D98825 [0,2,0,0,0,0|2,0,0]=4 694 B10R1.61 C=C(C)C1=C(I)C=CC=C1 E72643 [0,2,0,0,0,0|2,0,0]=4 695 B10R1.61 CC(=O)C1=C(S)C=CC=C1 93483 [0,2,0,0,0,0|2,0,0]=4 696 B10R1.61 CC(=O)C1=NC=CN=C1N P10974 [0,2,0,0,0,0|2,0,0]=4 697 B10R1.61 CC(=O)C1=NC=NC=C1C O10307 [0,2,0,0,0,0|2,0,0]=4 698 B10R1.61 CC(C)C1=NC=CN=C1Cl AT24532 [0,2,0,0,0,0|2,0,0]=4 699 B10R1.61 CC(C)C1=NC=CN=C1N 60031 [0,2,0,0,0,0|2,0,0]=4 700 B10R1.61 CC(C)C1=NC=CN=C1N W15952 [0,2,0,0,0,0|2,0,0]=4 701 B10R1.61 CC1=C(C(C)C)C=CC=C1 T71005 [0,2,0,0,0,0|2,0,0]=4 702 B10R1.61 CC1=CC=CN=C1B([O-])O AT15845 [0,2,0,0,0,0|2,0,0]=4 703 B10R1.61 C[C@H](Br)C1=C(Cl)C=CC=C1 C77623 [0,2,0,0,0,0|2,0,0]=4 704 B10R1.61 C[C@H](Cl)C1=C(Cl)C=CC=C1 A11172 [0,2,0,0,0,0|2,0,0]=4 705 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70081 [0,2,0,0,0,0|1,0,0]=3 706 B10R1.61 C[C@H](N)C1=C(O)C=CC=N1 N14916 [0,2,0,0,0,0|1,0,0]=3 707 B10R1.61 N=C(N)C1=C(Br)C=CC=N1 W18185 [0,2,0,0,0,0|2,0,0]=4 708 B10R1.61 N=C(N)C1=C(F)C=CC=N1 F51910 [0,2,0,0,0,0|2,0,0]=4 709 B10R1.61 NC(=S)C1=NC=CC=C1N F13535 [0,2,0,0,0,0|2,0,0]=4 710 B10R1.4 CC1=C(CON)C=CC=C1 D77271 [0,2,0,0,0,0|2,0,0]=4 711 B10R1.4 CC1=CC=CN=C1CC#N C90297 [0,2,0,0,0,0|1,0,1]=4 712 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [0,2,0,0,0,0|2,0,0]=4 713 B10R1.4 CCNC1=C(F)C=CC=C1 D87863 [0,2,0,0,0,0|2,0,0]=4 714 B10R1.4 CCNC1=NC=CC=C1N AC7989 [0,2,0,0,0,0|1,0,0]=3 715 B10R1.4 CCNC1=NC=CN=C1Cl AT24639 [0,2,0,0,0,0|2,0,0]=4 716 B10R1.4 CCOC1=C(C)C=CN=C1 AC4346 [0,2,0,0,0,0|2,0,0]=4 717 B10R1.4 CCOC1=C(F)C=CC=N1 F53248 [0,2,0,0,0,0|0,0,0]=2 718 B10R1.4 CCOC1=CC=CN=C1Cl W17868 [0,2,0,0,0,0|2,0,0]=4 719 B10R1.4 CCSC1=C(Br)C=CC=C1 AT20838 [0,2,0,0,0,0|1,1,0]=4 720 B10R1.4 CCSC1=C(O)C=CC=C1 AT20889 [0,2,0,0,0,0|1,1,0]=4 721 B10R1.4 CNCC1=C(F)C=CC=N1 P10655 [0,2,0,0,0,0|1,0,0]=3 722 B10R1.4 CNCC1=C(F)C=CC=N1 P20450 [0,2,0,0,0,0|1,0,0]=3 723 B10R1.4 CNCC1=C(N)C=CC=C1 F13330 [0,2,0,0,0,0|2,0,0]=4 724 B10R1.17 CCCCC1=CC=CN=N1 O10974 [0,2,0,0,0,0|2,0,0]=4 725 B10R1.17 CNNCC1=NC=CC=C1 30190 [0,2,0,0,0,0|1,0,0]=3 726 B10R1.17 FCCNC1=CC=CC=C1 D77931 [0,2,0,0,0,0|2,0,0]=4 727 B10R1.17 NCCNC1=NC=CC=C1 O12009 [0,2,0,0,0,0|1,0,0]=3 728 B10R1.17 NCCNC1=NC=CC=N1 AT18241 [0,2,0,0,0,0|2,0,0]=4 729 B10R1.17 NCCOC1=NC=CC=N1 AT18221 [0,2,0,0,0,0|1,0,0]=3 730 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [0,2,0,0,0,0|2,0,0]=4 731 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [0,2,0,0,0,0|2,0,0]=4 732 B10R1.17 NOCCC1=CC=CC=C1 C10179 [0,2,0,0,0,0|2,0,0]=4 733 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [0,2,0,0,0,0|1,0,0]=3 734 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [0,2,0,0,0,0|1,0,0]=3 735 B10R1.17 O=CNCC1=NC=CC=C1 AC6369 [0,2,0,0,0,0|1,0,1]=4 736 B10R1.17 OCC#CC1=NC=CC=N1 F13494 [0,2,0,0,0,0|2,0,0]=4 737 B10R1.17 OCCNC1=NC=CC=N1 AT18240 [0,2,0,0,0,0|2,0,0]=4 738 B10R1.17 OCCOC1=NC=CC=C1 C90307 [0,2,0,0,0,0|0,0,0]=2 739 B10R1.17 SCCCC1=NC=CC=C1 F18728 [0,2,0,0,0,0|1,0,0]=3 740 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [0,2,0,0,0,0|2,0,0]=4 741 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [0,2,0,0,0,0|1,0,0]=3 742 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [0,2,0,0,0,0|2,0,0]=4 743 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [0,2,0,0,0,0|2,0,0]=4 744 B10R1.20 CCC1=CC=CN=C1C#N 50481 [0,2,0,0,0,0|2,0,0]=4 745 B10R1.20 CNC1=C(CO)C=CC=C1 C74490 [0,2,0,0,0,0|2,0,0]=4 746 B10R1.20 CNC1=C(OC)C=CC=N1 77471 [0,2,0,0,0,0|1,0,0]=3 747 B10R1.20 CNC1=C(SC)C=CC=C1 AT20832 [0,2,0,0,0,0|1,1,0]=4 748 B10R1.20 COC1=C(CN)C=CN=C1 P16442 [0,2,0,0,0,0|2,0,0]=4 749 B10R1.20 COC1=C(CN)N=CC=C1 O10088 [0,2,0,0,0,0|2,0,0]=4 750 B10R1.20 COC1=C(CO)C=CN=C1 P11879 [0,2,0,0,0,0|2,0,0]=4 751 B10R1.20 COC1=C(NN)C=CC=C1 71208 [0,2,0,0,0,0|1,0,0]=3 752 B10R1.20 COC1=C(SC)C=CC=N1 F50798 [0,2,0,0,0,0|0,0,0]=2 753 B10R1.20 COC1=CC=CN=C1CCl 27916 [0,2,0,0,0,0|2,0,0]=4 754 B10R1.20 COC1=NC=CC=C1CN 36590 [0,2,0,0,0,0|0,0,0]=2 755 B10R1.20 COC1=NC=CN=C1C=O P10873 [0,2,0,0,0,0|1,0,0]=3 756 B10R1.20 COC1=NC=CN=C1CN C71765 [0,2,0,0,0,0|1,0,0]=3 757 B10R1.20 N#CC1=C(C=O)C=CC=N1 P10442 [0,2,0,0,0,0|2,0,0]=4 758 B10R1.20 N#CC1=CC=CN=C1C=O P10836 [0,2,0,0,0,0|2,0,0]=4 759 B10R1.20 N#CC1=NC=CC=C1CN 92898 [0,2,0,0,0,0|2,0,0]=4 760 B10R1.20 NNC1=C(CO)C=CC=N1 D77554 [0,2,0,0,0,0|2,0,0]=4 761 B10R1.245 COC1=C(Cl)C=CN=C1F 91699 [0,2,0,0,0,0|2,0,0]=4 762 B10R1.245 COC1=C(I)C=CC=C1Cl C90767 [0,2,0,0,0,0|1,0,0]=3 763 B10R1.245 COC1=C(I)C=CN=C1Cl AT13793 [0,2,0,0,0,0|2,0,0]=4 764 B10R1.245 COC1=C(I)C=CN=C1F AT19119 [0,2,0,0,0,0|2,0,0]=4 765 B10R1.245 COC1=C(I)C=NC=C1I I10189 [0,2,0,0,0,0|2,0,0]=4 766 B10R1.245 COC1=C(O)C=CC=C1N AT15764 [0,2,0,0,0,0|1,0,0]=3 767 B10R1.245 COC1=C(O)C=CN=C1F 91686 [0,2,0,0,0,0|2,0,0]=4 768 B10R2.6 C1=CN=C(C2CC2)N=C1 P12514 [0,1,0,1,0,0|2,0,0]=4 769 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [0,1,0,1,0,0|2,0,0]=4 770 B10R2.7 C1=CC2=C(C=C1)SCO2 76474 [0,1,0,1,0,0|1,0,0]=3 771 B10R2.7 C1=CC2=C(C=C1)SCS2 D71935 [0,1,0,1,0,0|1,1,0]=4 772 B10R2.7 C1=CC2=NNC=C2N=C1 F18246 [0,1,0,1,0,0|2,0,0]=4 773 B10R2.7 C1=CN=C2CNCC2=N1 F12463 [0,1,0,1,0,0|2,0,0]=4 774 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [0,1,0,1,0,0|1,0,0]=3 775 B10R2.7 C1=CN=C2NCCC2=N1 P20982 [0,1,0,1,0,0|2,0,0]=4 776 B10R2.7 C1=NC=C2CCNC2=N1 93647 [0,1,0,1,0,0|2,0,0]=4 777 B10R2.7 C1=NC=C2CCNC2=N1 C90715 [0,1,0,1,0,0|2,0,0]=4 778 B6R1.2 CC1=CN=CO1 C77581 [1,0,0,0,1,0|2,0,0]=4 779 B6R1.2 CC1=NC=CO1 O10838 [1,0,0,0,1,0|1,0,0]=3 780 B6R1.2 CC1=NSC=C1 AC6637 [1,0,0,0,1,0|1,0,0]=3 781 B6R1.2 ClC1=NC=CO1 F20650 [1,0,0,0,1,0|2,0,0]=4 782 B6R1.2 ClC1=NSC=C1 F19768 [1,0,0,0,1,0|2,0,0]=4 783 B6R1.2 NC1=CC=CS1 44128 [1,0,0,0,1,0|2,0,0]=4 784 B6R1.2 NC1=CC=CS1 F10359 [1,0,0,0,1,0|2,0,0]=4 785 B6R1.2 NC1=CNC=N1 P20245 [1,0,0,0,1,0|2,0,0]=4 786 B6R1.2 OC1=CON=C1 AT21052 [1,0,0,0,1,0|2,0,0]=4 787 B6R1.2 OC1=NN=CS1 AT18843 [1,0,0,0,1,0|2,0,0]=4 788 B6R1.2 SC1=NC=CO1 AT18533 [1,0,0,0,1,0|1,1,0]=4 789 B6R1.2 [2H]N1C=CC=C1 D98995 [1,0,0,0,1,0|2,0,0]=4