0 B6R1.1 C1=CC=NN=C1 HY-W007494 [0,0,0,0,0,0|2,0,0]=2 1 B6R1.1 C1=CN=CC=N1 HY-W013040 [0,0,0,0,0,0|2,0,0]=2 2 B6R1.1 C1=CN=CN=C1 HY-Y0519 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 BrC1=CN=CN=C1 HY-W008017 [0,1,0,0,0,0|2,0,0]=3 4 B7R1.3 CC1=NC=CN=C1 HY-W067358 [0,1,0,0,0,0|2,0,0]=3 5 B7R1.3 ClC1=NC=CN=C1 HY-Y0109 [0,1,0,0,0,0|2,0,0]=3 6 B7R1.3 IC1=CC=CC=C1 HY-Y0747 [0,1,0,0,0,0|0,0,0]=1 7 B7R1.3 IC1=CC=CC=N1 HY-W004126 [0,1,0,0,0,0|1,0,0]=2 8 B7R1.3 N=C1N=NC=CN1 HY-W004843 [0,1,0,0,0,0|3,0,0]=4 9 B7R1.3 NC1=CN=CN=C1 HY-60351 [0,1,0,0,0,0|2,0,0]=3 10 B7R1.3 NC1=NC=CC=N1 HY-41340 [0,1,0,0,0,0|2,0,0]=3 11 B7R1.3 NC1=NC=CN=C1 HY-34068 [0,1,0,0,0,0|2,0,0]=3 12 B7R1.3 O=C1C=CC=CN1 HY-Y0191 [0,1,0,0,0,0|1,0,0]=2 13 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,1,0,0,0,0|1,0,2]=4 14 B7R1.3 OC1=CC=CN=C1 HY-Y1129 [0,1,0,0,0,0|1,0,0]=2 15 B5R0.2 CC\C=C\C=O HY-W111375 [0,0,1,0,0,0|1,0,2]=4 16 B5R1.1 C1=CNC=N1 HY-D0837 [0,0,0,0,1,0|2,0,0]=3 17 B5R1.1 C1=CNC=N1 HY-ER010 [0,0,0,0,1,0|2,0,0]=3 18 B5R1.1 C1=CNN=C1 HY-76228 [0,0,0,0,1,0|2,0,0]=3 19 B5R1.1 C1=COC=N1 HY-34631 [0,0,0,0,1,0|2,0,0]=3 20 B5R1.1 C1=CON=C1 HY-W010649 [0,0,0,0,1,0|2,0,0]=3 21 B5R1.1 C1=NC=NN1 HY-Y0219 [0,0,0,0,1,0|3,0,0]=4 22 B5R1.1 C1=NC=NN1 HY-Y0219R [0,0,0,0,1,0|3,0,0]=4 23 B5R1.1 C1=NN=CN1 HY-Y0219A [0,0,0,0,1,0|3,0,0]=4 24 B6R0.6 C\C=C\C=C\CO HY-W017690 [0,1,1,0,0,0|0,0,2]=4 25 B6R1.2 BrC1=CNC=N1 HY-W002226 [0,1,0,0,1,0|2,0,0]=4 26 B6R1.2 BrC1=CNN=C1 HY-78243 [0,1,0,0,1,0|2,0,0]=4 27 B6R1.2 BrC1=CSC=C1 HY-59299 [0,1,0,0,1,0|1,0,0]=3 28 B6R1.2 BrC1=NC=CS1 HY-W001223 [0,1,0,0,1,0|2,0,0]=4 29 B6R1.2 CC1=CC=CS1 HY-W010615 [0,1,0,0,1,0|1,0,0]=3 30 B6R1.2 CC1=CNN=C1 HY-B0876A [0,1,0,0,1,0|2,0,0]=4 31 B6R1.2 CC1=NNC=C1 HY-66054 [0,1,0,0,1,0|2,0,0]=4 32 B6R1.2 CN1C=CN=C1 HY-59137 [0,1,0,0,1,0|2,0,0]=4 33 B6R1.2 IC1=CN=CN1 HY-W002802 [0,1,0,0,1,0|2,0,0]=4 34 B6R1.2 NC1=NC=CN1 HY-W062216 [0,1,0,0,1,0|2,0,0]=4 35 B6R1.2 NC1=NC=CS1 HY-12396 [0,1,0,0,1,0|2,0,0]=4 36 B6R1.2 NC1=NOC=C1 HY-W007329 [0,1,0,0,1,0|2,0,0]=4 37 B6R1.2 O=C1C=CCC1 HY-W010643 [0,1,0,0,1,0|0,0,2]=4 38 B6R1.2 O=C1C=CCO1 HY-W008270 [0,1,0,0,1,0|1,0,1]=4 39 B8R1.22 O=C1C=CC=CC=C1 HY-W035904 [0,1,0,0,0,1|0,0,0]=2 40 B8R1.2 BrCC1=CC=CN=C1 HY-W004131 [0,2,0,0,0,0|1,0,0]=3 41 B8R1.2 C#CC1=CC=CN=C1 HY-34604 [0,2,0,0,0,0|1,0,0]=3 42 B8R1.2 CCC1=NC=CN=C1 HY-W040948 [0,2,0,0,0,0|2,0,0]=4 43 B8R1.2 COC1=CC=NC=C1 HY-W007634 [0,2,0,0,0,0|1,0,0]=3 44 B8R1.2 COC1=CN=CC=C1 HY-W008119 [0,2,0,0,0,0|1,0,0]=3 45 B8R1.2 COC1=CN=CC=N1 HY-W010562 [0,2,0,0,0,0|2,0,0]=4 46 B8R1.2 ClCC1=NC=CC=N1 HY-52102 [0,2,0,0,0,0|2,0,0]=4 47 B8R1.2 N#CC1=NC=CC=N1 HY-Y0241 [0,2,0,0,0,0|2,0,0]=4 48 B8R1.2 N#CC1=NC=CN=C1 HY-Y0131 [0,2,0,0,0,0|2,0,0]=4 49 B8R1.2 NCC1=CC=CC=C1 HY-76253 [0,2,0,0,0,0|0,0,0]=2 50 B8R1.2 NCC1=CC=CN=C1 HY-Y0047 [0,2,0,0,0,0|1,0,0]=3 51 B8R1.2 NCC1=CC=NC=C1 HY-W007632 [0,2,0,0,0,0|1,0,0]=3 52 B8R1.2 NCC1=NC=CC=N1 HY-60347A [0,2,0,0,0,0|2,0,0]=4 53 B8R1.2 O=NC1=CC=CC=C1 HY-121641 [0,2,0,0,0,0|0,0,0]=2 54 B8R1.2 O=NC1=NC=CC=C1 HY-136590 [0,2,0,0,0,0|1,0,0]=3 55 B8R1.2 O=[As]C1=CC=CC=C1 HY-131901 [0,2,0,0,0,0|0,0,0]=2 56 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [0,2,0,0,0,0|0,0,0]=2 57 B8R1.2 OCC1=CC=CC=C1 HY-B0892R [0,2,0,0,0,0|0,0,0]=2 58 B8R1.2 OCC1=CC=CN=C1 HY-B0893 [0,2,0,0,0,0|1,0,0]=3 59 B8R1.2 OCC1=NC=CC=C1 HY-Y0004 [0,2,0,0,0,0|1,0,0]=3 60 B8R1.3 BrC1=CN=C(I)C=C1 HY-W002668 [0,2,0,0,0,0|1,0,0]=3 61 B8R1.3 BrC1=NC=C(I)C=C1 HY-W003027 [0,2,0,0,0,0|1,0,0]=3 62 B8R1.3 BrC1=NN=C(Br)C=C1 HY-59234 [0,2,0,0,0,0|2,0,0]=4 63 B8R1.3 CC1=CC=C(N)C=N1 HY-66048 [0,2,0,0,0,0|1,0,0]=3 64 B8R1.3 CC1=CN=C(Br)C=C1 HY-W007353 [0,2,0,0,0,0|1,0,0]=3 65 B8R1.3 CC1=CN=C(C)C=N1 HY-34439 [0,2,0,0,0,0|2,0,0]=4 66 B8R1.3 CC1=CN=C(N)C=N1 HY-65255 [0,2,0,0,0,0|2,0,0]=4 67 B8R1.3 CC1=CNC(=O)C=C1 HY-W010566 [0,2,0,0,0,0|1,0,0]=3 68 B8R1.3 CC1=NN=C(Cl)C=C1 HY-W001297 [0,2,0,0,0,0|2,0,0]=4 69 B8R1.3 ClC1=CC=C(Cl)C=C1 HY-Y0496 [0,2,0,0,0,0|0,0,0]=2 70 B8R1.3 ClC1=CN=C(Cl)C=C1 HY-W015626 [0,2,0,0,0,0|1,0,0]=3 71 B8R1.3 ClC1=NC=C(Br)C=C1 HY-W002767 [0,2,0,0,0,0|1,0,0]=3 72 B8R1.3 ClC1=NC=C(I)C=C1 HY-W002858 [0,2,0,0,0,0|1,0,0]=3 73 B8R1.3 FC1=NC=C(Br)C=C1 HY-32746 [0,2,0,0,0,0|1,0,0]=3 74 B8R1.3 FC1=NC=C(Br)C=N1 HY-W008137 [0,2,0,0,0,0|2,0,0]=4 75 B8R1.3 FC1=NC=C(I)C=C1 HY-W007531 [0,2,0,0,0,0|1,0,0]=3 76 B8R1.3 IC1=CC=C(I)C=C1 HY-W007412 [0,2,0,0,0,0|0,0,0]=2 77 B8R1.3 NC1=CC=C(F)N=C1 HY-65254 [0,2,0,0,0,0|1,0,0]=3 78 B8R1.3 NC1=CC=C(I)C=C1 HY-I0210 [0,2,0,0,0,0|0,0,0]=2 79 B8R1.3 NC1=CN=C(Br)C=C1 HY-W016849 [0,2,0,0,0,0|1,0,0]=3 80 B8R1.3 NC1=CN=C(Cl)C=C1 HY-W007481 [0,2,0,0,0,0|1,0,0]=3 81 B8R1.3 NC1=NC=C(Br)N=C1 HY-59261 [0,2,0,0,0,0|2,0,0]=4 82 B8R1.3 NC1=NC=C(O)C=N1 HY-W018339 [0,2,0,0,0,0|2,0,0]=4 83 B8R1.3 NC1=NN=C(Cl)C=C1 HY-Y0141 [0,2,0,0,0,0|2,0,0]=4 84 B8R1.3 O=C1C=CC(=O)NN1 HY-59354 [0,2,0,0,0,0|2,0,0]=4 85 B8R1.3 O=C1C=CC(Br)=CN1 HY-59165 [0,2,0,0,0,0|1,0,0]=3 86 B8R1.3 O=C1C=CC(Cl)=CN1 HY-W008822 [0,2,0,0,0,0|1,0,0]=3 87 B8R1.4 BrC1=CC=CC(Br)=N1 HY-59162 [0,2,0,0,0,0|1,0,0]=3 88 B8R1.4 BrC1=CC=CC(I)=C1 HY-32149 [0,2,0,0,0,0|0,0,0]=2 89 B8R1.4 BrC1=CN=CC(Br)=C1 HY-Y0491 [0,2,0,0,0,0|1,0,0]=3 90 B8R1.4 BrC1=NC=CC(I)=C1 HY-W008398 [0,2,0,0,0,0|1,0,0]=3 91 B8R1.4 CC1=CC(Br)=CC=N1 HY-W007447 [0,2,0,0,0,0|1,0,0]=3 92 B8R1.4 CC1=CC(Cl)=NC=C1 HY-W010423 [0,2,0,0,0,0|1,0,0]=3 93 B8R1.4 CC1=CC(N)=NC=C1 HY-W003969 [0,2,0,0,0,0|1,0,0]=3 94 B8R1.4 CC1=CN=CC(C)=N1 HY-W040790 [0,2,0,0,0,0|2,0,0]=4 95 B8R1.4 CC1=NC(Cl)=CC=C1 HY-W001993 [0,2,0,0,0,0|1,0,0]=3 96 B8R1.4 ClC1=CC=NC(Br)=C1 HY-W003129 [0,2,0,0,0,0|1,0,0]=3 97 B8R1.4 ClC1=CN=CC(Br)=C1 HY-W003165 [0,2,0,0,0,0|1,0,0]=3 98 B8R1.4 ClC1=CN=CC(Cl)=C1 HY-W015627 [0,2,0,0,0,0|1,0,0]=3 99 B8R1.4 ClC1=NC=CC(Br)=C1 HY-32752 [0,2,0,0,0,0|1,0,0]=3 100 B8R1.4 ClC1=NC=CC(I)=C1 HY-32754 [0,2,0,0,0,0|1,0,0]=3 101 B8R1.4 FC1=CC(Br)=NC=C1 HY-W003601 [0,2,0,0,0,0|1,0,0]=3 102 B8R1.4 FC1=NC=CC(Br)=C1 HY-32742 [0,2,0,0,0,0|1,0,0]=3 103 B8R1.4 NC1=CC(Br)=CN=C1 HY-66052 [0,2,0,0,0,0|1,0,0]=3 104 B8R1.4 NC1=CC=CC(N)=N1 HY-Y0198 [0,2,0,0,0,0|1,0,0]=3 105 B8R1.4 NC1=CN=CC(Cl)=N1 HY-59335 [0,2,0,0,0,0|2,0,0]=4 106 B8R1.4 NC1=NC(=O)C=CN1 HY-W002272 [0,2,0,0,0,0|2,0,0]=4 107 B8R1.4 NC1=NC(=O)NC=C1 HY-I0626 [0,2,0,0,0,0|2,0,0]=4 108 B8R1.4 NC1=NC(Br)=CC=C1 HY-Y1049 [0,2,0,0,0,0|1,0,0]=3 109 B8R1.4 NC1=NC(Cl)=NC=C1 HY-30139 [0,2,0,0,0,0|2,0,0]=4 110 B8R1.4 NC1=NC=CC(Br)=C1 HY-41000 [0,2,0,0,0,0|1,0,0]=3 111 B8R1.4 NC1=NC=CC(Cl)=C1 HY-60325 [0,2,0,0,0,0|1,0,0]=3 112 B8R1.4 NC1=NC=CC(F)=C1 HY-W005118 [0,2,0,0,0,0|1,0,0]=3 113 B8R1.4 O=C1C=C(O)C=CN1 HY-Y0426 [0,2,0,0,0,0|1,0,0]=3 114 B8R1.4 O=C1C=CC=C(O)N1 HY-W036553 [0,2,0,0,0,0|1,0,0]=3 115 B8R1.4 O=C1C=CNC(=O)N1 HY-I0960 [0,2,0,0,0,0|2,0,0]=4 116 B8R1.4 O=C1C=CNC(=O)N1 HY-I0960R [0,2,0,0,0,0|2,0,0]=4 117 B8R1.4 O=C1C=CNC(=S)N1 HY-B0503 [0,2,0,0,0,0|2,0,0]=4 118 B8R1.4 O=C1NC=CC(=S)N1 HY-W010417 [0,2,0,0,0,0|2,0,0]=4 119 B8R1.4 O=[13C]1[13CH]=[13CH][15NH][13C](=O)[15NH]1 HY-I0960S3 [0,2,0,0,0,0|2,0,0]=4 120 B8R1.4 OC1=CC(Cl)=NC=C1 HY-I0304 [0,2,0,0,0,0|1,0,0]=3 121 B8R1.4 OC1=CC(O)=NC=N1 HY-W015902 [0,2,0,0,0,0|2,0,0]=4 122 B8R1.4 OC1=CC=CC(I)=C1 HY-W007364 [0,2,0,0,0,0|0,0,0]=2 123 B8R1.4 OC1=CN=CC(Br)=C1 HY-66053 [0,2,0,0,0,0|1,0,0]=3 124 B8R1.4 OC1=NC=CC(Br)=C1 HY-65036 [0,2,0,0,0,0|1,0,0]=3 125 B8R1.5 CC1=C(Br)N=CC=C1 HY-W007712 [0,2,0,0,0,0|1,0,0]=3 126 B8R1.5 CC1=C(C)N=CC=N1 HY-W015914 [0,2,0,0,0,0|2,0,0]=4 127 B8R1.5 CC1=NC=CC=C1Br HY-W002494 [0,2,0,0,0,0|1,0,0]=3 128 B8R1.5 CC1=NC=CC=C1O HY-W002339 [0,2,0,0,0,0|1,0,0]=3 129 B8R1.5 ClC1=C(Br)N=CC=C1 HY-W007662 [0,2,0,0,0,0|1,0,0]=3 130 B8R1.5 ClC1=C(Cl)N=CC=C1 HY-W012591 [0,2,0,0,0,0|1,0,0]=3 131 B8R1.5 ClC1=NC=CC=C1Br HY-32751 [0,2,0,0,0,0|1,0,0]=3 132 B8R1.5 ClC1=NC=CC=C1I HY-32753 [0,2,0,0,0,0|1,0,0]=3 133 B8R1.5 FC1=CC=CC=C1I HY-34673 [0,2,0,0,0,0|0,0,0]=2 134 B8R1.5 FC1=CN=CC=C1I HY-W012392 [0,2,0,0,0,0|1,0,0]=3 135 B8R1.5 NC1=C(Cl)C=CN=C1 HY-33868 [0,2,0,0,0,0|1,0,0]=3 136 B8R1.5 NC1=C(Cl)N=CC=N1 HY-W007499 [0,2,0,0,0,0|2,0,0]=4 137 B8R1.5 NC1=C(I)C=NC=C1 HY-W002945 [0,2,0,0,0,0|1,0,0]=3 138 B8R1.5 NC1=C(N)C=NC=C1 HY-14946 [0,2,0,0,0,0|1,0,0]=3 139 B8R1.5 NC1=C(O)C=CC=N1 HY-W007794 [0,2,0,0,0,0|1,0,0]=3 140 B8R1.5 NC1=CC=CC=C1I HY-W007318 [0,2,0,0,0,0|0,0,0]=2 141 B8R1.5 NC1=CC=CN=C1Br HY-66051 [0,2,0,0,0,0|1,0,0]=3 142 B8R1.5 NC1=CC=CN=C1Cl HY-Y0244 [0,2,0,0,0,0|1,0,0]=3 143 B8R1.5 NC1=NC=CC=C1I HY-32813 [0,2,0,0,0,0|1,0,0]=3 144 B8R1.5 O=C1C=COC=C1O HY-N1997 [0,2,0,0,0,0|1,0,0]=3 145 B8R1.5 OC1=C(F)C=CC=C1 HY-41755 [0,2,0,0,0,0|0,0,0]=2 146 B8R1.5 OC1=CC=CN=C1Br HY-20026 [0,2,0,0,0,0|1,0,0]=3 147 B8R1.5 OC1=CC=CN=C1Cl HY-32833 [0,2,0,0,0,0|1,0,0]=3 148 B8R1.5 ON1C=CC=CC1=S HY-B1747 [0,2,0,0,0,0|1,0,0]=3 149 B8R1.5 [O-][N+]1=CC=CC=C1[S-] HY-125785A [0,2,0,0,0,0|1,0,0]=3