0 B7R1.3 BrC1=CN=CN=C1 HY-W008017 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.3 CC1=NC=CN=C1 HY-W067358 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 ClC1=NC=CN=C1 HY-Y0109 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.3 IC1=CC=CC=C1 HY-Y0747 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.3 IC1=CC=CC=N1 HY-W004126 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.3 N=C1N=NC=CN1 HY-W004843 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.3 NC1=CN=CN=C1 HY-60351 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.3 NC1=NC=CC=N1 HY-41340 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 NC1=NC=CN=C1 HY-34068 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.3 O=C1C=CC=CN1 HY-Y0191 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,0,0,0,0,0|2,0,2]=4 11 B7R1.3 OC1=CC=CN=C1 HY-Y1129 [0,0,0,0,0,0|2,0,0]=2 12 B6R1.1 C1=CC=NN=C1 HY-W007494 [1,0,0,0,0,0|2,0,0]=3 13 B6R1.1 C1=CN=CC=N1 HY-W013040 [1,0,0,0,0,0|2,0,0]=3 14 B6R1.1 C1=CN=CN=C1 HY-Y0519 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.2 BrCC1=CC=CN=C1 HY-W004131 [0,1,0,0,0,0|1,0,0]=2 16 B8R1.2 C#CC1=CC=CN=C1 HY-34604 [0,1,0,0,0,0|1,0,1]=3 17 B8R1.2 CCC1=NC=CN=C1 HY-W040948 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.2 COC1=CC=NC=C1 HY-W007634 [0,1,0,0,0,0|1,0,0]=2 19 B8R1.2 COC1=CN=CC=C1 HY-W008119 [0,1,0,0,0,0|1,0,0]=2 20 B8R1.2 COC1=CN=CC=N1 HY-W010562 [0,1,0,0,0,0|2,0,0]=3 21 B8R1.2 ClCC1=NC=CC=N1 HY-52102 [0,1,0,0,0,0|2,0,0]=3 22 B8R1.2 N#CC1=NC=CC=N1 HY-Y0241 [0,1,0,0,0,0|2,0,1]=4 23 B8R1.2 N#CC1=NC=CN=C1 HY-Y0131 [0,1,0,0,0,0|2,0,1]=4 24 B8R1.2 NCC1=CC=CC=C1 HY-76253 [0,1,0,0,0,0|0,0,0]=1 25 B8R1.2 NCC1=CC=CN=C1 HY-Y0047 [0,1,0,0,0,0|1,0,0]=2 26 B8R1.2 NCC1=CC=NC=C1 HY-W007632 [0,1,0,0,0,0|1,0,0]=2 27 B8R1.2 NCC1=NC=CC=N1 HY-60347A [0,1,0,0,0,0|2,0,0]=3 28 B8R1.2 O=NC1=CC=CC=C1 HY-121641 [0,1,0,0,0,0|1,0,0]=2 29 B8R1.2 O=NC1=NC=CC=C1 HY-136590 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.2 O=[As]C1=CC=CC=C1 HY-131901 [0,1,0,0,0,0|1,0,0]=2 31 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [0,1,0,0,0,0|0,0,0]=1 32 B8R1.2 OCC1=CC=CC=C1 HY-B0892R [0,1,0,0,0,0|0,0,0]=1 33 B8R1.2 OCC1=CC=CN=C1 HY-B0893 [0,1,0,0,0,0|1,0,0]=2 34 B8R1.2 OCC1=NC=CC=C1 HY-Y0004 [0,1,0,0,0,0|1,0,0]=2 35 B8R1.3 BrC1=CN=C(I)C=C1 HY-W002668 [0,1,0,0,0,0|2,0,0]=3 36 B8R1.3 BrC1=NC=C(I)C=C1 HY-W003027 [0,1,0,0,0,0|2,0,0]=3 37 B8R1.3 BrC1=NN=C(Br)C=C1 HY-59234 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.3 CC1=CC=C(N)C=N1 HY-66048 [0,1,0,0,0,0|1,0,0]=2 39 B8R1.3 CC1=CN=C(Br)C=C1 HY-W007353 [0,1,0,0,0,0|1,0,0]=2 40 B8R1.3 CC1=CN=C(C)C=N1 HY-34439 [0,1,0,0,0,0|2,0,0]=3 41 B8R1.3 CC1=CN=C(N)C=N1 HY-65255 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.3 CC1=CNC(=O)C=C1 HY-W010566 [0,1,0,0,0,0|1,0,0]=2 43 B8R1.3 CC1=NN=C(Cl)C=C1 HY-W001297 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.3 ClC1=CC=C(Cl)C=C1 HY-Y0496 [0,1,0,0,0,0|1,0,0]=2 45 B8R1.3 ClC1=CN=C(Cl)C=C1 HY-W015626 [0,1,0,0,0,0|2,0,0]=3 46 B8R1.3 ClC1=NC=C(Br)C=C1 HY-W002767 [0,1,0,0,0,0|2,0,0]=3 47 B8R1.3 ClC1=NC=C(I)C=C1 HY-W002858 [0,1,0,0,0,0|2,0,0]=3 48 B8R1.3 FC1=NC=C(Br)C=C1 HY-32746 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.3 FC1=NC=C(Br)C=N1 HY-W008137 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.3 FC1=NC=C(I)C=C1 HY-W007531 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.3 IC1=CC=C(I)C=C1 HY-W007412 [0,1,0,0,0,0|1,0,0]=2 52 B8R1.3 NC1=CC=C(F)N=C1 HY-65254 [0,1,0,0,0,0|2,0,0]=3 53 B8R1.3 NC1=CC=C(I)C=C1 HY-I0210 [0,1,0,0,0,0|1,0,0]=2 54 B8R1.3 NC1=CN=C(Br)C=C1 HY-W016849 [0,1,0,0,0,0|2,0,0]=3 55 B8R1.3 NC1=CN=C(Cl)C=C1 HY-W007481 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.3 NC1=NC=C(Br)N=C1 HY-59261 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.3 NC1=NC=C(O)C=N1 HY-W018339 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.3 NC1=NN=C(Cl)C=C1 HY-Y0141 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.3 O=C1C=CC(=O)NN1 HY-59354 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.3 O=C1C=CC(Br)=CN1 HY-59165 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.3 O=C1C=CC(Cl)=CN1 HY-W008822 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.4 BrC1=CC=CC(Br)=N1 HY-59162 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.4 BrC1=CC=CC(I)=C1 HY-32149 [0,1,0,0,0,0|1,0,0]=2 64 B8R1.4 BrC1=CN=CC(Br)=C1 HY-Y0491 [0,1,0,0,0,0|2,0,0]=3 65 B8R1.4 BrC1=NC=CC(I)=C1 HY-W008398 [0,1,0,0,0,0|2,0,0]=3 66 B8R1.4 CC1=CC(Br)=CC=N1 HY-W007447 [0,1,0,0,0,0|1,0,0]=2 67 B8R1.4 CC1=CC(C)=O[Ru]O1 HY-W020958 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.4 CC1=CC(Cl)=NC=C1 HY-W010423 [0,1,0,0,0,0|1,0,0]=2 69 B8R1.4 CC1=CC(N)=NC=C1 HY-W003969 [0,1,0,0,0,0|1,0,0]=2 70 B8R1.4 CC1=CN=CC(C)=N1 HY-W040790 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.4 CC1=NC(Cl)=CC=C1 HY-W001993 [0,1,0,0,0,0|1,0,0]=2 72 B8R1.4 ClC1=CC=NC(Br)=C1 HY-W003129 [0,1,0,0,0,0|2,0,0]=3 73 B8R1.4 ClC1=CN=CC(Br)=C1 HY-W003165 [0,1,0,0,0,0|2,0,0]=3 74 B8R1.4 ClC1=CN=CC(Cl)=C1 HY-W015627 [0,1,0,0,0,0|2,0,0]=3 75 B8R1.4 ClC1=NC=CC(Br)=C1 HY-32752 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.4 ClC1=NC=CC(I)=C1 HY-32754 [0,1,0,0,0,0|2,0,0]=3 77 B8R1.4 FC1=CC(Br)=NC=C1 HY-W003601 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.4 FC1=NC=CC(Br)=C1 HY-32742 [0,1,0,0,0,0|2,0,0]=3 79 B8R1.4 NC1=CC(Br)=CN=C1 HY-66052 [0,1,0,0,0,0|2,0,0]=3 80 B8R1.4 NC1=CC=CC(N)=N1 HY-Y0198 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.4 NC1=CN=CC(Cl)=N1 HY-59335 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.4 NC1=NC(=O)C=CN1 HY-W002272 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.4 NC1=NC(=O)NC=C1 HY-I0626 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.4 NC1=NC(Br)=CC=C1 HY-Y1049 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.4 NC1=NC(Cl)=NC=C1 HY-30139 [0,1,0,0,0,0|3,0,0]=4 86 B8R1.4 NC1=NC=CC(Br)=C1 HY-41000 [0,1,0,0,0,0|2,0,0]=3 87 B8R1.4 NC1=NC=CC(Cl)=C1 HY-60325 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.4 NC1=NC=CC(F)=C1 HY-W005118 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.4 O=C1C=C(O)C=CN1 HY-Y0426 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.4 O=C1C=CC=C(O)N1 HY-W036553 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.4 O=C1C=CNC(=O)N1 HY-I0960 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.4 O=C1C=CNC(=O)N1 HY-I0960R [0,1,0,0,0,0|3,0,0]=4 93 B8R1.4 O=C1C=CNC(=S)N1 HY-B0503 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.4 O=C1NC=CC(=S)N1 HY-W010417 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.4 O=[13C]1[13CH]=[13CH][15NH][13C](=O)[15NH]1 HY-I0960S3 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.4 OC1=CC(Cl)=NC=C1 HY-I0304 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.4 OC1=CC(O)=NC=N1 HY-W015902 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.4 OC1=CC=CC(I)=C1 HY-W007364 [0,1,0,0,0,0|1,0,0]=2 99 B8R1.4 OC1=CN=CC(Br)=C1 HY-66053 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.4 OC1=NC=CC(Br)=C1 HY-65036 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.5 CC1=C(Br)N=CC=C1 HY-W007712 [0,1,0,0,0,0|1,0,0]=2 102 B8R1.5 CC1=C(C)N=CC=N1 HY-W015914 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.5 CC1=NC=CC=C1Br HY-W002494 [0,1,0,0,0,0|1,0,0]=2 104 B8R1.5 CC1=NC=CC=C1O HY-W002339 [0,1,0,0,0,0|1,0,0]=2 105 B8R1.5 ClC1=C(Br)N=CC=C1 HY-W007662 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.5 ClC1=C(Cl)N=CC=C1 HY-W012591 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.5 ClC1=NC=CC=C1Br HY-32751 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.5 ClC1=NC=CC=C1I HY-32753 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.5 FC1=CC=CC=C1I HY-34673 [0,1,0,0,0,0|1,0,0]=2 110 B8R1.5 FC1=CN=CC=C1I HY-W012392 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.5 NC1=C(Cl)C=CN=C1 HY-33868 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.5 NC1=C(Cl)N=CC=N1 HY-W007499 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.5 NC1=C(I)C=NC=C1 HY-W002945 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.5 NC1=C(N)C=NC=C1 HY-14946 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.5 NC1=C(O)C=CC=N1 HY-W007794 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.5 NC1=CC=CC=C1I HY-W007318 [0,1,0,0,0,0|1,0,0]=2 117 B8R1.5 NC1=CC=CN=C1Br HY-66051 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.5 NC1=CC=CN=C1Cl HY-Y0244 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.5 NC1=NC=CC=C1I HY-32813 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.5 O=C1C=COC=C1O HY-N1997 [0,1,0,0,0,0|2,0,0]=3 121 B8R1.5 OC1=C(F)C=CC=C1 HY-41755 [0,1,0,0,0,0|1,0,0]=2 122 B8R1.5 OC1=CC=CN=C1Br HY-20026 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.5 OC1=CC=CN=C1Cl HY-32833 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.5 ON1C=CC=CC1=S HY-B1747 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.5 [O-][N+]1=CC=CC=C1[S-] HY-125785A [0,1,0,0,0,0|2,0,0]=3 126 B6R0.6 CCC\C=C\C=O HY-128429 [0,0,1,0,0,0|1,0,2]=4 127 B6R0.6 C\C=C\C=C\CO HY-W017690 [0,0,1,0,0,0|1,0,1]=3 128 B6R1.2 BrC1=CNC=N1 HY-W002226 [0,0,0,0,1,0|3,0,0]=4 129 B6R1.2 BrC1=CNN=C1 HY-78243 [0,0,0,0,1,0|3,0,0]=4 130 B6R1.2 BrC1=CSC=C1 HY-59299 [0,0,0,0,1,0|2,0,0]=3 131 B6R1.2 BrC1=NC=CS1 HY-W001223 [0,0,0,0,1,0|3,0,0]=4 132 B6R1.2 CC1=CC=CS1 HY-W010615 [0,0,0,0,1,0|1,0,0]=2 133 B6R1.2 CC1=CNN=C1 HY-B0876A [0,0,0,0,1,0|2,0,0]=3 134 B6R1.2 CC1=NNC=C1 HY-66054 [0,0,0,0,1,0|2,0,0]=3 135 B6R1.2 CN1C=CN=C1 HY-59137 [0,0,0,0,1,0|2,0,0]=3 136 B6R1.2 IC1=CN=CN1 HY-W002802 [0,0,0,0,1,0|3,0,0]=4 137 B6R1.2 NC1=NC=CN1 HY-W062216 [0,0,0,0,1,0|3,0,0]=4 138 B6R1.2 NC1=NC=CS1 HY-12396 [0,0,0,0,1,0|3,0,0]=4 139 B6R1.2 NC1=NOC=C1 HY-W007329 [0,0,0,0,1,0|3,0,0]=4 140 B6R1.2 O=C1C=CCC1 HY-W010643 [0,0,0,0,1,0|1,0,2]=4 141 B6R1.2 O=C1C=CCO1 HY-W008270 [0,0,0,0,1,0|2,0,1]=4 142 B8R1.22 O=C1C=CC=CC=C1 HY-W035904 [0,0,0,0,0,1|1,0,0]=2 143 B5R0.1 CC(C)=CC=O HY-34409 [1,0,1,0,0,0|1,0,1]=4 144 B5R0.2 CC\C=C\C=O HY-W111375 [1,0,1,0,0,0|1,0,1]=4 145 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [0,1,1,0,0,0|2,0,0]=4 146 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [0,1,1,0,0,0|2,0,0]=4 147 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626A [0,1,1,0,0,0|2,0,0]=4 148 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626AR [0,1,1,0,0,0|2,0,0]=4 149 B7R0.1 C(C=O)=C/C=CCC HY-W012952 [0,1,1,0,0,0|0,0,1]=3 150 B7R1.1 CCN1C=CC=N1 HY-Z1094 [0,1,0,0,1,0|2,0,0]=4 151 B7R1.1 O=CC1=CC=CS1 HY-W012941 [0,1,0,0,1,0|1,0,1]=4 152 B7R1.1 O=CC1=CNC=C1 HY-59307 [0,1,0,0,1,0|1,0,1]=4 153 B7R1.1 OCC1=CC=CS1 HY-34751 [0,1,0,0,1,0|1,0,0]=3 154 B7R1.1 OCC1=CN=CS1 HY-W012905 [0,1,0,0,1,0|2,0,0]=4 155 B7R1.1 OCC1=CNN=C1 HY-33914 [0,1,0,0,1,0|2,0,0]=4 156 B7R1.1 OCC1=COC=C1 HY-W007708 [0,1,0,0,1,0|1,0,0]=3 157 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,1,0,0,1,0|0,0,2]=4 158 B7R1.2 CC1=CC(N)=NN1 HY-75637 [0,1,0,0,1,0|2,0,0]=4 159 B7R1.2 CC1=CC(N)=NO1 HY-W041676 [0,1,0,0,1,0|2,0,0]=4 160 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,1,0,0,1,0|1,0,1]=4 161 B7R1.2 CC1=CN=C(N)S1 HY-WAA0093 [0,1,0,0,1,0|2,0,0]=4 162 B7R1.2 CC1=NN(C)C=C1 HY-W002168 [0,1,0,0,1,0|2,0,0]=4 163 B7R1.2 CN1C=CC(N)=N1 HY-76189 [0,1,0,0,1,0|2,0,0]=4 164 B7R1.2 O=C1C=CC(=O)N1 HY-W007324 [0,1,0,0,1,0|2,0,0]=4 165 B7R1.4 BrC1=CSC=C1Br HY-20022 [0,1,0,0,1,0|2,0,0]=4 166 B7R1.4 CC1=CNN=C1C HY-W019334 [0,1,0,0,1,0|2,0,0]=4 167 B7R1.4 CN1C=CN=C1S HY-B0208 [0,1,0,0,1,0|2,0,0]=4 168 B7R1.4 CN1SC=CC1=O HY-W010243 [0,1,0,0,1,0|2,0,0]=4 169 B7R1.4 CN1SC=CC1=O HY-W010520 [0,1,0,0,1,0|2,0,0]=4 170 B9R1.5 O=C1C=CC=CC=C1O HY-N7135 [0,1,0,0,0,1|1,0,0]=3 171 B9R1.1 C#CC1=CC=C(Br)C=C1 HY-W007542 [0,2,0,0,0,0|0,0,1]=3 172 B9R1.1 C#CC1=CC=C(N)C=C1 HY-W004660 [0,2,0,0,0,0|0,0,1]=3 173 B9R1.1 C=CC1=CC=C(O)C=C1 HY-W005288 [0,2,0,0,0,0|0,0,1]=3 174 B9R1.1 CC1=CC=C(C=O)C=C1 HY-W012860 [0,2,0,0,0,0|0,0,0]=2 175 B9R1.1 CCC1=CC=C(O)C=C1 HY-W012836 [0,2,0,0,0,0|0,0,0]=2 176 B9R1.1 CNC1=CC=C(C)C=C1 HY-W017767 [0,2,0,0,0,0|0,0,0]=2 177 B9R1.1 COC1=CC=C(C)C=C1 HY-W012835 [0,2,0,0,0,0|0,0,0]=2 178 B9R1.1 COC1=CC=C(Cl)N=N1 HY-W001168 [0,2,0,0,0,0|2,0,0]=4 179 B9R1.1 COC1=CC=C(O)C=C1 HY-30270 [0,2,0,0,0,0|0,0,0]=2 180 B9R1.1 COC1=NC=C(Br)C=C1 HY-32756 [0,2,0,0,0,0|1,0,0]=3 181 B9R1.1 COC1=NC=C(N)C=C1 HY-W001994 [0,2,0,0,0,0|1,0,0]=3 182 B9R1.1 N#CC1=CN=C(Br)C=C1 HY-W004337 [0,2,0,0,0,0|1,0,1]=4 183 B9R1.1 N#CC1=CN=C(Cl)C=C1 HY-59197 [0,2,0,0,0,0|1,0,1]=4 184 B9R1.1 N#CC1=NC=C(Br)C=C1 HY-W007647 [0,2,0,0,0,0|1,0,1]=4 185 B9R1.1 N#CC1=NC=C(F)C=C1 HY-34656 [0,2,0,0,0,0|1,0,1]=4 186 B9R1.1 NC1=CC=C(C=O)C=C1 HY-W076836 [0,2,0,0,0,0|0,0,1]=3 187 B9R1.1 NC1=CC=C(CO)C=C1 HY-W007465 [0,2,0,0,0,0|0,0,0]=2 188 B9R1.1 NCC1=CC=C(I)C=C1 HY-W013964 [0,2,0,0,0,0|0,0,0]=2 189 B9R1.1 NCC1=CC=C(O)C=C1 HY-W004078 [0,2,0,0,0,0|0,0,0]=2 190 B9R1.1 O=CC1=CC=C(Br)C=C1 HY-W001138 [0,2,0,0,0,0|0,0,1]=3 191 B9R1.1 O=CC1=CC=C(Br)N=C1 HY-32786 [0,2,0,0,0,0|1,0,1]=4 192 B9R1.1 O=CC1=CC=C(F)C=C1 HY-Y0197 [0,2,0,0,0,0|0,0,1]=3 193 B9R1.1 O=CC1=CC=C(I)C=C1 HY-W002179 [0,2,0,0,0,0|0,0,1]=3 194 B9R1.1 O=CC1=CC=C(O)C=C1 HY-Y0313 [0,2,0,0,0,0|0,0,1]=3 195 B9R1.1 O=CC1=CC=C(O)C=C1 HY-Y0313R [0,2,0,0,0,0|0,0,1]=3 196 B9R1.1 OCC1=CC=C(Br)N=C1 HY-W016116 [0,2,0,0,0,0|1,0,0]=3 197 B9R1.1 OCC1=CC=C(O)C=C1 HY-Y0892 [0,2,0,0,0,0|0,0,0]=2 198 B9R1.1 OCC1=NC=C(Br)C=C1 HY-32837 [0,2,0,0,0,0|1,0,0]=3 199 B9R1.1 OCC1=NC=C(O)C=C1 HY-W007140 [0,2,0,0,0,0|1,0,0]=3 200 B9R1.2 C#CC1=CC(N)=CC=C1 HY-W007423 [0,2,0,0,0,0|0,0,1]=3 201 B9R1.2 CC1=CC(C=O)=CC=C1 HY-78086 [0,2,0,0,0,0|0,0,0]=2 202 B9R1.2 CC1=CC=CC(C#N)=N1 HY-W002490 [0,2,0,0,0,0|1,0,0]=3 203 B9R1.2 COC1=CC(Cl)=NC=C1 HY-W007914 [0,2,0,0,0,0|1,0,0]=3 204 B9R1.2 COC1=CC(N)=NC=C1 HY-20459 [0,2,0,0,0,0|1,0,0]=3 205 B9R1.2 COC1=CC(O)=CC=C1 HY-Y1840 [0,2,0,0,0,0|0,0,0]=2 206 B9R1.2 COC1=CC=CC(C)=C1 HY-115127 [0,2,0,0,0,0|0,0,0]=2 207 B9R1.2 COC1=CN=CC(Br)=C1 HY-W007427 [0,2,0,0,0,0|1,0,0]=3 208 B9R1.2 COC1=NC(Cl)=CC=C1 HY-W001995 [0,2,0,0,0,0|1,0,0]=3 209 B9R1.2 COC1=NC=CC(N)=N1 HY-69014 [0,2,0,0,0,0|2,0,0]=4 210 B9R1.2 NCC1=CC(Cl)=NC=C1 HY-101771A [0,2,0,0,0,0|1,0,0]=3 211 B9R1.2 NCC1=CC(O)=CC=C1 HY-W069508 [0,2,0,0,0,0|0,0,0]=2 212 B9R1.2 O=CC1=CC(Br)=CN=C1 HY-W003037 [0,2,0,0,0,0|1,0,1]=4 213 B9R1.2 O=CC1=CC(Cl)=CC=C1 HY-Y1863 [0,2,0,0,0,0|0,0,1]=3 214 B9R1.2 O=CC1=CC(Cl)=NC=C1 HY-W010309 [0,2,0,0,0,0|1,0,1]=4 215 B9R1.2 O=CC1=CC=CC(O)=C1 HY-76006 [0,2,0,0,0,0|0,0,1]=3 216 B9R1.2 O=CC1=NC(Br)=CC=C1 HY-60194 [0,2,0,0,0,0|1,0,1]=4 217 B9R1.2 OCC1=CC(Cl)=NC=C1 HY-W003365 [0,2,0,0,0,0|1,0,0]=3 218 B9R1.2 OCC1=NC(Br)=CC=C1 HY-32836 [0,2,0,0,0,0|1,0,0]=3 219 B9R1.6 CC(=O)C1=CC=CC=C1 HY-Y0989 [0,2,0,0,0,0|0,0,0]=2 220 B9R1.6 CC(=O)C1=CC=NC=C1 HY-Y0179 [0,2,0,0,0,0|1,0,0]=3 221 B9R1.6 CC(=O)C1=CN=CC=N1 HY-W007692 [0,2,0,0,0,0|2,0,0]=4 222 B9R1.6 CC(N)C1=CC=CC=C1 HY-W012848 [0,2,0,0,0,0|0,0,0]=2 223 B9R1.6 CN(C)C1=CC=NC=C1 HY-Y1089 [0,2,0,0,0,0|1,0,0]=3 224 B9R1.6 C[C@H](N)C1=CC=CC=C1 HY-75095 [0,2,0,0,0,0|0,0,0]=2 225 B9R1.6 N=C(N)C1=CC=CC=C1 HY-125913 [0,2,0,0,0,0|0,0,1]=3 226 B9R1.6 N=C(N)C1=CC=CC=C1 HY-W018781 [0,2,0,0,0,0|0,0,1]=3 227 B9R1.6 N=C(N)C1=CC=CC=C1 HY-W087937 [0,2,0,0,0,0|0,0,1]=3 228 B9R1.6 NC(=O)C1=CC=CC=C1 HY-Z0283 [0,2,0,0,0,0|0,0,1]=3 229 B9R1.6 NC(=O)C1=CC=CN=C1 HY-B0150 [0,2,0,0,0,0|1,0,1]=4 230 B9R1.6 NC(=O)C1=CC=CN=C1 HY-B0150R [0,2,0,0,0,0|1,0,1]=4 231 B9R1.6 NC(=O)C1=CC=NC=C1 HY-W012843 [0,2,0,0,0,0|1,0,1]=4 232 B9R1.6 NC(=O)C1=CC=NC=C1 HY-W012843R [0,2,0,0,0,0|1,0,1]=4 233 B9R1.6 NC(=O)C1=NC=CC=C1 HY-101020 [0,2,0,0,0,0|1,0,1]=4 234 B9R1.6 NC(=S)C1=CC=NC=C1 HY-N7130 [0,2,0,0,0,0|1,0,1]=4 235 B9R1.6 NC(=S)C1=NC=CC=C1 HY-W002356 [0,2,0,0,0,0|1,0,1]=4 236 B9R1.6 O=C(O)C1=CC=CC=C1 HY-N0216 [0,2,0,0,0,0|0,0,1]=3 237 B9R1.6 O=C(O)C1=CC=CC=C1 HY-N0216R [0,2,0,0,0,0|0,0,1]=3 238 B9R1.6 O=C(O)C1=CC=CC=C1 HY-W015761 [0,2,0,0,0,0|0,0,1]=3 239 B9R1.6 O=C(O)C1=CC=CC=N1 HY-I0660 [0,2,0,0,0,0|1,0,1]=4 240 B9R1.6 O=C(O)C1=CC=CC=N1 HY-I0660R [0,2,0,0,0,0|1,0,1]=4 241 B9R1.6 O=C(O)C1=CC=CN=C1 HY-B0143 [0,2,0,0,0,0|1,0,1]=4 242 B9R1.6 O=C(O)C1=CC=CN=C1 HY-B0143R [0,2,0,0,0,0|1,0,1]=4 243 B9R1.6 O=C(O)C1=CC=NC=C1 HY-I0736 [0,2,0,0,0,0|1,0,1]=4 244 B9R1.6 O=[PH](O)C1=CC=CC=C1 HY-116210 [0,2,0,0,0,0|1,0,0]=3 245 B9R1.6 OB(O)C1=CC=CC=C1 HY-W001090 [0,2,0,0,0,0|1,0,0]=3 246 B9R1.6 OB(O)C1=CC=CN=C1 HY-75129 [0,2,0,0,0,0|2,0,0]=4 247 B9R1.6 [15NH2]C(=O)C1=CC=CC=C1 HY-Z0283S [0,2,0,0,0,0|0,0,1]=3 248 B9R1.8 BrCCC1=CC=CC=C1 HY-Y0199 [0,2,0,0,0,0|0,0,0]=2 249 B9R1.8 CCOC1=CC=CC=C1 HY-Y1207 [0,2,0,0,0,0|0,0,0]=2 250 B9R1.8 CNCC1=CC=CC=C1 HY-W007426 [0,2,0,0,0,0|0,0,0]=2 251 B9R1.8 NOCC1=CC=CC=C1 HY-41915 [0,2,0,0,0,0|0,0,0]=2 252 B9R1.8 OCCC1=CC=CC=C1 HY-B1290 [0,2,0,0,0,0|0,0,0]=2 253 B9R1.8 ONCC1=CC=CC=C1 HY-W002216 [0,2,0,0,0,0|0,0,0]=2 254 B9R1.8 [2H]OCC1=CC=CC=C1 HY-B0892S4 [0,2,0,0,0,0|0,0,0]=2 255 B9R1.15 C#CC1=CC=CC=C1Cl HY-W002586 [0,2,0,0,0,0|0,0,1]=3 256 B9R1.15 CC1=CC=CC=C1C=O HY-Y0442 [0,2,0,0,0,0|0,0,0]=2 257 B9R1.15 COC1=C(Br)N=CC=C1 HY-W007501 [0,2,0,0,0,0|1,0,0]=3 258 B9R1.15 COC1=C(C)C=CC=C1 HY-W027751 [0,2,0,0,0,0|0,0,0]=2 259 B9R1.15 COC1=CC=CC=C1O HY-B2115 [0,2,0,0,0,0|0,0,0]=2 260 B9R1.15 COC1=CC=CC=C1O HY-N1380 [0,2,0,0,0,0|0,0,0]=2 261 B9R1.15 COC1=CC=CC=C1O HY-N1380R [0,2,0,0,0,0|0,0,0]=2 262 B9R1.15 COC1=NC=CC=C1Br HY-32755 [0,2,0,0,0,0|1,0,0]=3 263 B9R1.15 N#CC1=CC=CC=C1O HY-W012869 [0,2,0,0,0,0|0,0,1]=3 264 B9R1.15 N#CC1=NC=CC=C1Br HY-W002967 [0,2,0,0,0,0|1,0,1]=4 265 B9R1.15 NC1=C(C=O)C=CC=N1 HY-75813 [0,2,0,0,0,0|1,0,1]=4 266 B9R1.15 NC1=CC=CC=C1CO HY-W004705 [0,2,0,0,0,0|0,0,0]=2 267 B9R1.15 NCC1=CC=CC=C1O HY-34350 [0,2,0,0,0,0|0,0,0]=2 268 B9R1.15 O=CC1=CC=CC=C1I HY-W007846 [0,2,0,0,0,0|0,0,1]=3 269 B9R1.15 O=CC1=CC=CN=C1Cl HY-32791 [0,2,0,0,0,0|1,0,1]=4 270 B9R1.15 O=CC1=NC=CC=C1F HY-W001028 [0,2,0,0,0,0|1,0,1]=4 271 B9R1.15 OCC1=CC=CC=C1I HY-W004678 [0,2,0,0,0,0|0,0,0]=2 272 B9R1.15 OCC1=CC=CC=C1O HY-B1419 [0,2,0,0,0,0|0,0,0]=2 273 B9R1.69 CC1=C(Br)C=CC(Br)=N1 HY-W003282 [0,2,0,0,0,0|1,0,0]=3 274 B9R1.69 CC1=C(N)NC(=O)N=C1 HY-W008091 [0,2,0,0,0,0|2,0,0]=4 275 B9R1.69 CC1=C(N)NC(=O)N=C1 HY-W008091R [0,2,0,0,0,0|2,0,0]=4 276 B9R1.69 CC1=CC(Br)=C(O)C=C1 HY-W016153 [0,2,0,0,0,0|0,0,0]=2 277 B9R1.69 CC1=CC(Br)=CN=C1N HY-75420 [0,2,0,0,0,0|1,0,0]=3 278 B9R1.69 CC1=CC(Br)=CNC1=O HY-75423 [0,2,0,0,0,0|1,0,0]=3 279 B9R1.69 CC1=CC(Br)=NC=C1Br HY-W009498 [0,2,0,0,0,0|1,0,0]=3 280 B9R1.69 CC1=CC(Cl)=NC=C1Br HY-W014584 [0,2,0,0,0,0|1,0,0]=3 281 B9R1.69 CC1=CC(O)=C(O)C=C1 HY-W012814 [0,2,0,0,0,0|0,0,0]=2 282 B9R1.69 CC1=CC(O)=CC=C1N HY-W012824 [0,2,0,0,0,0|0,0,0]=2 283 B9R1.69 CC1=CC(O)=CC=C1O HY-W012817 [0,2,0,0,0,0|0,0,0]=2 284 B9R1.69 CC1=CN=C(C)C(C)=N1 HY-W010476 [0,2,0,0,0,0|2,0,0]=4 285 B9R1.69 CC1=CNC(=O)NC1=O HY-W010450 [0,2,0,0,0,0|2,0,0]=4 286 B9R1.69 CC1=NC=C(Br)C=C1N HY-W003575 [0,2,0,0,0,0|1,0,0]=3 287 B9R1.69 ClC1=CN=C(Cl)C(Cl)=C1 HY-W001198 [0,2,0,0,0,0|2,0,0]=4 288 B9R1.69 FC1=C(I)C=CC(Br)=C1 HY-42121 [0,2,0,0,0,0|1,0,0]=3 289 B9R1.69 FC1=CC=C(F)C(Br)=C1 HY-79541 [0,2,0,0,0,0|1,0,0]=3 290 B9R1.69 NC1=C(Br)C=C(F)C=N1 HY-W010023 [0,2,0,0,0,0|2,0,0]=4 291 B9R1.69 NC1=C(O)C=C(F)C=C1 HY-W007345 [0,2,0,0,0,0|1,0,0]=3 292 B9R1.69 NC1=CC(Br)=CN=C1Cl HY-32828 [0,2,0,0,0,0|2,0,0]=4 293 B9R1.69 NC1=CC=C(Cl)N=C1Cl HY-W002136 [0,2,0,0,0,0|2,0,0]=4 294 B9R1.69 NC1=CC=C(F)C(Cl)=C1 HY-Y0680 [0,2,0,0,0,0|1,0,0]=3 295 B9R1.69 O=C1C=C(O)C(Cl)=CN1 HY-17469 [0,2,0,0,0,0|2,0,0]=4 296 B9R1.69 OC1=C(F)C=C(F)C=C1 HY-W012725 [0,2,0,0,0,0|1,0,0]=3 297 B9R1.69 OC1=CC=C(Cl)C(O)=C1 HY-W015658 [0,2,0,0,0,0|1,0,0]=3 298 B9R1.69 OC1=CC=C(Cl)C=C1O HY-133597 [0,2,0,0,0,0|1,0,0]=3 299 B9R1.69 OC1=CC=C(F)C(O)=C1 HY-W003112 [0,2,0,0,0,0|1,0,0]=3 300 B9R1.69 OC1=CC=C(F)C=C1Br HY-W003971 [0,2,0,0,0,0|1,0,0]=3 301 B9R1.69 OC1=CC=C(O)C(O)=C1 HY-W010451 [0,2,0,0,0,0|1,0,0]=3 302 B9R1.69 [15NH]1C=C([13CH3])C(=O)[15NH]C1=O HY-W747214 [0,2,0,0,0,0|2,0,0]=4 303 B9R1.3 CC1=C(Br)C=CC=C1N HY-50097 [0,2,0,0,0,0|0,0,0]=2 304 B9R1.3 CC1=C(O)C(=O)C=CO1 HY-W012788 [0,2,0,0,0,0|1,0,0]=3 305 B9R1.3 CC1=C(O)C(O)=CC=C1 HY-W012815 [0,2,0,0,0,0|0,0,0]=2 306 B9R1.3 CC1=CN=CC(F)=C1N HY-W100209 [0,2,0,0,0,0|1,0,0]=3 307 B9R1.3 ClC1=CN=CC(Cl)=C1Cl HY-W016371 [0,2,0,0,0,0|2,0,0]=4 308 B9R1.3 OC1=C(Br)C=CC=C1Br HY-Y1667 [0,2,0,0,0,0|1,0,0]=3 309 B9R1.3 OC1=CC=CC(F)=C1O HY-W007482 [0,2,0,0,0,0|1,0,0]=3 310 B9R1.3 OC1=CC=CC(O)=C1O HY-N1579 [0,2,0,0,0,0|1,0,0]=3 311 B9R1.3 OC1=CC=CC(O)=C1O HY-N1579R [0,2,0,0,0,0|1,0,0]=3 312 B9R1.34 CC1=CC(=O)C=C(C)O1 HY-W010469 [0,2,0,0,0,0|1,0,0]=3 313 B9R1.34 CC1=CC(=O)NC(=O)N1 HY-Y1125 [0,2,0,0,0,0|2,0,0]=4 314 B9R1.34 CC1=CC(=O)NC(=S)N1 HY-B0513 [0,2,0,0,0,0|2,0,0]=4 315 B9R1.34 CC1=CC(Br)=CC(Br)=C1 HY-W011934 [0,2,0,0,0,0|0,0,0]=2 316 B9R1.34 CC1=CC(O)=CC(O)=C1 HY-D0168 [0,2,0,0,0,0|0,0,0]=2 317 B9R1.34 ClC1=CC(Cl)=NC(Cl)=C1 HY-W002718 [0,2,0,0,0,0|2,0,0]=4 318 B9R1.34 ClC1=CC(I)=CC(Cl)=N1 HY-41945 [0,2,0,0,0,0|2,0,0]=4 319 B9R1.34 OC1=CC(Br)=CC(Br)=C1 HY-W007905 [0,2,0,0,0,0|1,0,0]=3 320 B5R1.1 C1=CNC=N1 HY-D0837 [1,0,0,0,1,0|2,0,0]=4 321 B5R1.1 C1=CNC=N1 HY-ER010 [1,0,0,0,1,0|2,0,0]=4 322 B5R1.1 C1=CNN=C1 HY-76228 [1,0,0,0,1,0|2,0,0]=4 323 B5R1.1 C1=COC=N1 HY-34631 [1,0,0,0,1,0|2,0,0]=4 324 B5R1.1 C1=CON=C1 HY-W010649 [1,0,0,0,1,0|2,0,0]=4