0 B6R1.2 BrC1=CNC=N1 HY-W002226 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 BrC1=CNN=C1 HY-78243 [0,0,0,0,0,0|1,0,0]=1 2 B6R1.2 BrC1=CSC=C1 HY-59299 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 CC1=CC=CS1 HY-W010615 [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 CC1=CNN=C1 HY-B0876A [0,0,0,0,0,0|0,0,0]=0 5 B6R1.2 CC1=NNC=C1 HY-66054 [0,0,0,0,0,0|2,0,0]=2 6 B6R1.2 CN1C=CN=C1 HY-59137 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.2 IC1=CN=CN1 HY-W002802 [0,0,0,0,0,0|3,0,0]=3 8 B6R1.2 NC1=NNC=N1 HY-W027592 [0,0,0,0,0,0|4,0,0]=4 9 B6R1.2 NC1=NOC=C1 HY-W007329 [0,0,0,0,0,0|4,0,0]=4 10 B6R1.2 O=C1C=CCC1 HY-W010643 [0,0,0,0,0,0|3,0,1]=4 11 B6R1.2 O=C1C=CCO1 HY-W008270 [0,0,0,0,0,0|4,0,0]=4 12 B5R1.1 C1=CNC=N1 HY-D0837 [1,0,0,0,0,0|2,0,0]=3 13 B5R1.1 C1=CNC=N1 HY-ER010 [1,0,0,0,0,0|2,0,0]=3 14 B5R1.1 C1=CNN=C1 HY-76228 [1,0,0,0,0,0|0,0,0]=1 15 B5R1.1 C1=COC=N1 HY-34631 [1,0,0,0,0,0|2,0,0]=3 16 B5R1.1 C1=CON=C1 HY-W010649 [1,0,0,0,0,0|1,0,0]=2 17 B5R1.1 C1=NC=NN1 HY-Y0219 [1,0,0,0,0,0|1,0,0]=2 18 B5R1.1 C1=NC=NN1 HY-Y0219R [1,0,0,0,0,0|1,0,0]=2 19 B5R1.1 C1=NN=CN1 HY-Y0219A [1,0,0,0,0,0|1,0,1]=3 20 B7R1.1 O=CC1=CN=CS1 HY-69015 [0,1,0,0,0,0|2,0,1]=4 21 B7R1.1 O=CC1=CNC=C1 HY-59307 [0,1,0,0,0,0|1,0,1]=3 22 B7R1.1 O=CC1=CNC=N1 HY-59303 [0,1,0,0,0,0|2,0,1]=4 23 B7R1.1 OCC1=CC=CS1 HY-34751 [0,1,0,0,0,0|3,0,0]=4 24 B7R1.1 OCC1=CN=CS1 HY-W012905 [0,1,0,0,0,0|2,0,0]=3 25 B7R1.1 OCC1=CNN=C1 HY-33914 [0,1,0,0,0,0|0,0,0]=1 26 B7R1.1 OCC1=COC=C1 HY-W007708 [0,1,0,0,0,0|2,0,0]=3 27 B7R1.2 BrC1=CN=C(Br)S1 HY-69360 [0,1,0,0,0,0|3,0,0]=4 28 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,1,0,0,0,0|2,0,1]=4 29 B7R1.2 CC1=CC(N)=NN1 HY-75637 [0,1,0,0,0,0|2,0,0]=3 30 B7R1.2 CC1=CC(N)=NO1 HY-W041676 [0,1,0,0,0,0|2,0,0]=3 31 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,1,0,0,0,0|3,0,0]=4 32 B7R1.2 CC1=CN=C(N)S1 HY-WAA0093 [0,1,0,0,0,0|2,0,0]=3 33 B7R1.2 CC1=NN(C)C=C1 HY-W002168 [0,1,0,0,0,0|2,0,0]=3 34 B7R1.2 CN1C=CC(N)=N1 HY-76189 [0,1,0,0,0,0|3,0,0]=4 35 B7R1.2 NC1=NC=C(Br)S1 HY-59343 [0,1,0,0,0,0|3,0,0]=4 36 B7R1.4 BrC1=CSC=C1Br HY-20022 [0,1,0,0,0,0|3,0,0]=4 37 B7R1.4 CC1=CNN=C1C HY-W019334 [0,1,0,0,0,0|0,0,0]=1 38 B7R1.4 CN1C=CN=C1S HY-B0208 [0,1,0,0,0,0|2,0,0]=3 39 B7R1.4 CN1CCNC1=O HY-W005507 [0,1,0,0,0,0|2,0,1]=4 40 B7R1.4 NC1=NNC=C1Br HY-W007681 [0,1,0,0,0,0|1,0,0]=2 41 B5R0.1 CC(C)=CC=O HY-34409 [0,0,1,0,0,0|2,0,1]=4 42 B5R0.1 CC(C)=CCO HY-W013035 [0,0,1,0,0,0|2,0,1]=4 43 B7R1.3 BrC1=CN=CN=C1 HY-W008017 [0,0,0,0,0,1|1,0,1]=3 44 B7R1.3 CC1=NC=CN=C1 HY-W067358 [0,0,0,0,0,1|1,0,0]=2 45 B7R1.3 ClC1=NC=CN=C1 HY-Y0109 [0,0,0,0,0,1|2,0,0]=3 46 B7R1.3 IC1=CC=CC=C1 HY-Y0747 [0,0,0,0,0,1|3,0,0]=4 47 B7R1.3 IC1=CC=CC=N1 HY-W004126 [0,0,0,0,0,1|3,0,0]=4 48 B7R1.3 N=C1N=NC=CN1 HY-W004843 [0,0,0,0,0,1|3,0,0]=4 49 B7R1.3 NC1=CN=CN=C1 HY-60351 [0,0,0,0,0,1|1,0,1]=3 50 B7R1.3 NC1=NC=CN=C1 HY-34068 [0,0,0,0,0,1|2,0,0]=3 51 B7R1.3 O=C1C=CC=CN1 HY-Y0191 [0,0,0,0,0,1|3,0,0]=4 52 B7R1.3 OC1=CC=CN=C1 HY-Y1129 [0,0,0,0,0,1|2,0,0]=3 53 B4R0.1 C=CC(N)=O HY-W115727 [1,0,1,0,0,0|2,0,0]=4 54 B4R0.1 C=CC(N)=O HY-W115727A [1,0,1,0,0,0|2,0,0]=4 55 B4R0.1 C=CC(N)=O HY-W115727B [1,0,1,0,0,0|2,0,0]=4 56 B4R0.1 CC(=O)C=O HY-W020014 [1,0,1,0,0,0|2,0,0]=4 57 B4R0.1 CC(=O)NBr HY-131899 [1,0,1,0,0,0|2,0,0]=4 58 B4R0.1 CC(=O)NO HY-B1235 [1,0,1,0,0,0|2,0,0]=4 59 B4R0.1 CC(C)=NO HY-W008840 [1,0,1,0,0,0|1,0,1]=4 60 B4R0.1 N=C(N)NN HY-B1041 [1,0,1,0,0,0|2,0,0]=4 61 B4R0.1 N=C(N)NN HY-W020772 [1,0,1,0,0,0|2,0,0]=4 62 B4R0.2 C=CCCN HY-W019321 [1,0,1,0,0,0|1,0,1]=4 63 B6R0.3 C=C(C)C(=O)OC HY-W391506 [0,1,1,0,0,0|2,0,0]=4 64 B6R0.3 CC(=O)\C(C)=N\O HY-Y0413 [0,1,1,0,0,0|2,0,0]=4 65 B8R1.2 BrCC1=CC=CN=C1 HY-W004131 [0,1,0,0,0,1|1,0,0]=3 66 B8R1.2 C#CC1=CC=CN=C1 HY-34604 [0,1,0,0,0,1|1,0,1]=4 67 B8R1.2 CCC1=NC=CN=C1 HY-W040948 [0,1,0,0,0,1|1,0,0]=3 68 B8R1.2 COC1=CC=NC=C1 HY-W007634 [0,1,0,0,0,1|1,0,0]=3 69 B8R1.2 COC1=CN=CC=C1 HY-W008119 [0,1,0,0,0,1|1,0,0]=3 70 B8R1.2 COC1=CN=CC=N1 HY-W010562 [0,1,0,0,0,1|1,0,0]=3 71 B8R1.2 N#CC1=NC=CN=C1 HY-Y0131 [0,1,0,0,0,1|1,0,1]=4 72 B8R1.2 NCC1=CC=CC=C1 HY-76253 [0,1,0,0,0,1|2,0,0]=4 73 B8R1.2 NCC1=CC=CN=C1 HY-Y0047 [0,1,0,0,0,1|1,0,0]=3 74 B8R1.2 NCC1=CC=NC=C1 HY-W007632 [0,1,0,0,0,1|1,0,0]=3 75 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [0,1,0,0,0,1|2,0,0]=4 76 B8R1.2 OCC1=CC=CC=C1 HY-B0892R [0,1,0,0,0,1|2,0,0]=4 77 B8R1.2 OCC1=CC=CN=C1 HY-B0893 [0,1,0,0,0,1|1,0,0]=3 78 B8R1.2 OCC1=NC=CC=C1 HY-Y0004 [0,1,0,0,0,1|2,0,0]=4 79 B8R1.3 BrC1=CN=C(I)C=C1 HY-W002668 [0,1,0,0,0,1|2,0,0]=4 80 B8R1.3 BrC1=NC=C(I)C=C1 HY-W003027 [0,1,0,0,0,1|2,0,0]=4 81 B8R1.3 CC1=CC=C(N)C=N1 HY-66048 [0,1,0,0,0,1|2,0,0]=4 82 B8R1.3 CC1=CN=C(Br)C=C1 HY-W007353 [0,1,0,0,0,1|1,0,0]=3 83 B8R1.3 CC1=CN=C(C)C=N1 HY-34439 [0,1,0,0,0,1|1,0,0]=3 84 B8R1.3 CC1=CN=C(N)C=N1 HY-65255 [0,1,0,0,0,1|1,0,0]=3 85 B8R1.3 CC1=CNC(=O)C=C1 HY-W010566 [0,1,0,0,0,1|1,0,0]=3 86 B8R1.3 CC1=NN=C(Cl)C=C1 HY-W001297 [0,1,0,0,0,1|2,0,0]=4 87 B8R1.3 ClC1=CN=C(Cl)C=C1 HY-W015626 [0,1,0,0,0,1|2,0,0]=4 88 B8R1.3 ClC1=NC=C(Br)C=C1 HY-W002767 [0,1,0,0,0,1|2,0,0]=4 89 B8R1.3 ClC1=NC=C(I)C=C1 HY-W002858 [0,1,0,0,0,1|2,0,0]=4 90 B8R1.3 FC1=NC=C(Br)C=C1 HY-32746 [0,1,0,0,0,1|2,0,0]=4 91 B8R1.3 FC1=NC=C(Br)C=N1 HY-W008137 [0,1,0,0,0,1|1,0,1]=4 92 B8R1.3 FC1=NC=C(I)C=C1 HY-W007531 [0,1,0,0,0,1|2,0,0]=4 93 B8R1.3 NC1=CC=C(F)N=C1 HY-65254 [0,1,0,0,0,1|2,0,0]=4 94 B8R1.3 NC1=CN=C(Br)C=C1 HY-W016849 [0,1,0,0,0,1|2,0,0]=4 95 B8R1.3 NC1=CN=C(Cl)C=C1 HY-W007481 [0,1,0,0,0,1|2,0,0]=4 96 B8R1.3 NC1=NC=C(Br)N=C1 HY-59261 [0,1,0,0,0,1|2,0,0]=4 97 B8R1.3 NC1=NC=C(O)C=N1 HY-W018339 [0,1,0,0,0,1|1,0,1]=4 98 B8R1.3 O=C1C=CC(Br)=CN1 HY-59165 [0,1,0,0,0,1|2,0,0]=4 99 B8R1.3 O=C1C=CC(Cl)=CN1 HY-W008822 [0,1,0,0,0,1|2,0,0]=4 100 B8R1.4 BrC1=CN=CC(Br)=C1 HY-Y0491 [0,1,0,0,0,1|2,0,0]=4 101 B8R1.4 BrC1=NC=CC(I)=C1 HY-W008398 [0,1,0,0,0,1|2,0,0]=4 102 B8R1.4 CC1=CC(Br)=CC=N1 HY-W007447 [0,1,0,0,0,1|2,0,0]=4 103 B8R1.4 CC1=CC(Cl)=NC=C1 HY-W010423 [0,1,0,0,0,1|1,0,0]=3 104 B8R1.4 CC1=CC(N)=NC=C1 HY-W003969 [0,1,0,0,0,1|1,0,0]=3 105 B8R1.4 CC1=CN=CC(C)=N1 HY-W040790 [0,1,0,0,0,1|1,0,0]=3 106 B8R1.4 CC1=NC(Cl)=CC=C1 HY-W001993 [0,1,0,0,0,1|2,0,0]=4 107 B8R1.4 ClC1=CC=NC(Br)=C1 HY-W003129 [0,1,0,0,0,1|2,0,0]=4 108 B8R1.4 ClC1=CN=CC(Br)=C1 HY-W003165 [0,1,0,0,0,1|2,0,0]=4 109 B8R1.4 ClC1=CN=CC(Cl)=C1 HY-W015627 [0,1,0,0,0,1|2,0,0]=4 110 B8R1.4 ClC1=NC=CC(Br)=C1 HY-32752 [0,1,0,0,0,1|2,0,0]=4 111 B8R1.4 ClC1=NC=CC(I)=C1 HY-32754 [0,1,0,0,0,1|2,0,0]=4 112 B8R1.4 FC1=CC(Br)=NC=C1 HY-W003601 [0,1,0,0,0,1|2,0,0]=4 113 B8R1.4 FC1=NC=CC(Br)=C1 HY-32742 [0,1,0,0,0,1|2,0,0]=4 114 B8R1.4 NC1=CC(Br)=CN=C1 HY-66052 [0,1,0,0,0,1|2,0,0]=4 115 B8R1.4 NC1=CN=CC(Cl)=N1 HY-59335 [0,1,0,0,0,1|2,0,0]=4 116 B8R1.4 NC1=NC(=O)C=CN1 HY-W002272 [0,1,0,0,0,1|2,0,0]=4 117 B8R1.4 NC1=NC(=O)NC=C1 HY-I0626 [0,1,0,0,0,1|2,0,0]=4 118 B8R1.4 NC1=NC(Cl)=NC=C1 HY-30139 [0,1,0,0,0,1|2,0,0]=4 119 B8R1.4 NC1=NC=CC(Br)=C1 HY-41000 [0,1,0,0,0,1|2,0,0]=4 120 B8R1.4 NC1=NC=CC(Cl)=C1 HY-60325 [0,1,0,0,0,1|2,0,0]=4 121 B8R1.4 NC1=NC=CC(F)=C1 HY-W005118 [0,1,0,0,0,1|2,0,0]=4 122 B8R1.4 O=C1C=C(O)C=CN1 HY-Y0426 [0,1,0,0,0,1|2,0,0]=4 123 B8R1.4 O=C1C=CNC(=O)N1 HY-I0960 [0,1,0,0,0,1|2,0,0]=4 124 B8R1.4 O=C1C=CNC(=O)N1 HY-I0960R [0,1,0,0,0,1|2,0,0]=4 125 B8R1.4 O=C1C=CNC(=S)N1 HY-B0503 [0,1,0,0,0,1|2,0,0]=4 126 B8R1.4 O=C1NC=CC(=S)N1 HY-W010417 [0,1,0,0,0,1|2,0,0]=4 127 B8R1.4 O=[13C]1[13CH]=[13CH][15NH][13C](=O)[15NH]1 HY-I0960S3 [0,1,0,0,0,1|2,0,0]=4 128 B8R1.4 OC1=CC(Cl)=NC=C1 HY-I0304 [0,1,0,0,0,1|2,0,0]=4 129 B8R1.4 OC1=CC(O)=NC=N1 HY-W015902 [0,1,0,0,0,1|2,0,0]=4 130 B8R1.4 OC1=CN=CC(Br)=C1 HY-66053 [0,1,0,0,0,1|2,0,0]=4 131 B8R1.4 OC1=NC=CC(Br)=C1 HY-65036 [0,1,0,0,0,1|2,0,0]=4 132 B8R1.5 CC1=C(Br)N=CC=C1 HY-W007712 [0,1,0,0,0,1|1,0,0]=3 133 B8R1.5 CC1=C(C)N=CC=N1 HY-W015914 [0,1,0,0,0,1|1,0,0]=3 134 B8R1.5 CC1=NC=CC=C1Br HY-W002494 [0,1,0,0,0,1|2,0,0]=4 135 B8R1.5 CC1=NC=CC=C1O HY-W002339 [0,1,0,0,0,1|2,0,0]=4 136 B8R1.5 ClC1=C(Br)N=CC=C1 HY-W007662 [0,1,0,0,0,1|2,0,0]=4 137 B8R1.5 ClC1=C(Cl)N=CC=C1 HY-W012591 [0,1,0,0,0,1|2,0,0]=4 138 B8R1.5 ClC1=NC=CC=C1Br HY-32751 [0,1,0,0,0,1|2,0,0]=4 139 B8R1.5 ClC1=NC=CC=C1I HY-32753 [0,1,0,0,0,1|2,0,0]=4 140 B8R1.5 FC1=CN=CC=C1I HY-W012392 [0,1,0,0,0,1|2,0,0]=4 141 B8R1.5 NC1=C(Cl)C=CN=C1 HY-33868 [0,1,0,0,0,1|2,0,0]=4 142 B8R1.5 NC1=C(Cl)N=CC=N1 HY-W007499 [0,1,0,0,0,1|2,0,0]=4 143 B8R1.5 NC1=C(I)C=NC=C1 HY-W002945 [0,1,0,0,0,1|2,0,0]=4 144 B8R1.5 NC1=C(N)C=NC=C1 HY-14946 [0,1,0,0,0,1|2,0,0]=4 145 B8R1.5 NC1=C(O)C=CC=N1 HY-W007794 [0,1,0,0,0,1|2,0,0]=4 146 B8R1.5 NC1=CC=CN=C1Br HY-66051 [0,1,0,0,0,1|2,0,0]=4 147 B8R1.5 NC1=CC=CN=C1Cl HY-Y0244 [0,1,0,0,0,1|2,0,0]=4 148 B8R1.5 NC1=NC=CC=C1I HY-32813 [0,1,0,0,0,1|2,0,0]=4 149 B8R1.5 OC1=CC=CN=C1Br HY-20026 [0,1,0,0,0,1|2,0,0]=4 150 B8R1.5 OC1=CC=CN=C1Cl HY-32833 [0,1,0,0,0,1|2,0,0]=4 151 B8R1.1 CC1=CC(CO)=NO1 HY-W012937 [0,2,0,0,0,0|2,0,0]=4 152 B8R1.1 CN1C=C(C=O)C=N1 HY-69052 [0,2,0,0,0,0|0,0,1]=3 153 B8R1.7 CC(=O)C1=CSC=C1 HY-W007361 [0,2,0,0,0,0|2,0,0]=4 154 B8R1.7 O=[N+]([O-])C1=CNN=C1 HY-W002458 [0,2,0,0,0,0|1,0,0]=3 155 B8R1.8 NCCC1=CN=CN1 HY-B0722 [0,2,0,0,0,0|2,0,0]=4 156 B8R1.8 NCCC1=CN=CN1 HY-B0722R [0,2,0,0,0,0|2,0,0]=4 157 B8R1.8 NCCC1=CN=CN1 HY-B1204 [0,2,0,0,0,0|2,0,0]=4 158 B8R1.8 NCCC1=CN=CN1 HY-B1204R [0,2,0,0,0,0|2,0,0]=4 159 B8R1.8 NCCC1=CNC=N1 HY-A0129 [0,2,0,0,0,0|2,0,0]=4 160 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [0,2,0,0,0,0|2,0,0]=4 161 B8R1.18 CC1=CC(C)=NN1C HY-N7086 [0,2,0,0,0,0|2,0,0]=4 162 B8R1.18 CC1=NC(C)=C(C)S1 HY-W100945 [0,2,0,0,0,0|2,0,0]=4 163 B8R1.18 O=C1C=C(Br)C(=O)N1 HY-W076794 [0,2,0,0,0,0|2,0,0]=4 164 B8R1.50 CC1=NNC(C)=C1Br HY-W016754 [0,2,0,0,0,0|1,0,0]=3 165 B8R1.50 CC1=NOC(N)=C1Cl HY-70065 [0,2,0,0,0,0|2,0,0]=4 166 B6R1.1 C1=CC=NN=C1 HY-W007494 [0,0,1,1,0,0|0,0,2]=4 167 B6R1.1 C1=CN=CC=N1 HY-W013040 [0,0,1,1,0,0|2,0,0]=4 168 B6R1.1 C1=CN=CN=C1 HY-Y0519 [0,0,1,1,0,0|2,0,0]=4