0 B7R1.2 BrC1=CN=C(Br)S1 HY-69360 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.2 BrC1=CSC(Br)=N1 HY-59304 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.2 CC1=CC(N)=NN1 HY-75637 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.2 CC1=CC(N)=NO1 HY-W041676 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,0,0,0,0,0|2,1,0]=3 6 B7R1.2 CC1=CN=C(N)S1 HY-WAA0093 [0,0,0,0,0,0|1,0,0]=1 7 B7R1.2 CC1=NN(C)C=C1 HY-W002168 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.2 CN1C=CC(N)=N1 HY-76189 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.2 NC1=NC=C(Br)S1 HY-59343 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.2 NC1=NNC(=S)S1 HY-W012675 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.2 O=C1C=CC(=O)N1 HY-W007324 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.2 SC1=NN=C(S)S1 HY-W032388 [0,0,0,0,0,0|3,0,0]=3 13 B6R1.2 BrC1=CNC=N1 HY-W002226 [1,0,0,0,0,0|2,0,1]=4 14 B6R1.2 BrC1=CNN=C1 HY-78243 [1,0,0,0,0,0|3,0,0]=4 15 B6R1.2 BrC1=CSC=C1 HY-59299 [1,0,0,0,0,0|3,0,0]=4 16 B6R1.2 BrC1=NC=CS1 HY-W001223 [1,0,0,0,0,0|1,0,0]=2 17 B6R1.2 CC1=CC=CS1 HY-W010615 [1,0,0,0,0,0|1,0,0]=2 18 B6R1.2 CC1=CNN=C1 HY-B0876A [1,0,0,0,0,0|2,0,0]=3 19 B6R1.2 CC1=NNC=C1 HY-66054 [1,0,0,0,0,0|2,0,0]=3 20 B6R1.2 CN1C=CN=C1 HY-59137 [1,0,0,0,0,0|2,0,0]=3 21 B6R1.2 IC1=CN=CN1 HY-W002802 [1,0,0,0,0,0|2,0,0]=3 22 B6R1.2 NC1=NC=CN1 HY-W062216 [1,0,0,0,0,0|2,0,0]=3 23 B6R1.2 NC1=NC=CS1 HY-12396 [1,0,0,0,0,0|1,0,0]=2 24 B6R1.2 NC1=NNC=N1 HY-W027592 [1,0,0,0,0,0|3,0,0]=4 25 B6R1.2 NC1=NOC=C1 HY-W007329 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.1 CC1=CC(CO)=NO1 HY-W012937 [0,1,0,0,0,0|2,0,0]=3 27 B8R1.1 CC1=CC=C(C=O)O1 HY-Y0543 [0,1,0,0,0,0|1,1,1]=4 28 B8R1.1 CC1=CC=C(C=O)S1 HY-34465 [0,1,0,0,0,0|1,0,1]=3 29 B8R1.1 CC1=CC=C(CO)O1 HY-W087919 [0,1,0,0,0,0|1,1,0]=3 30 B8R1.1 CN1C=C(C=O)C=N1 HY-69052 [0,1,0,0,0,0|2,0,1]=4 31 B8R1.1 O=CC1=CC=C(Br)S1 HY-59174 [0,1,0,0,0,0|2,0,1]=4 32 B8R1.1 O=CC1=CC=C(Cl)S1 HY-W002227 [0,1,0,0,0,0|2,0,1]=4 33 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [0,1,0,0,0,0|1,1,1]=4 34 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.18 CC1=CC(C)=NN1C HY-N7086 [0,1,0,0,0,0|2,0,0]=3 36 B8R1.18 CC1=NC(C)=C(C)S1 HY-W100945 [0,1,0,0,0,0|0,0,0]=1 37 B8R1.18 CN1CC(=O)N=C1N HY-B0504 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.18 CN1CC(=O)N=C1N HY-B0504R [0,1,0,0,0,0|3,0,0]=4 39 B8R1.18 CN1SC(Cl)=CC1=O HY-W017982 [0,1,0,0,0,0|3,0,0]=4 40 B8R1.50 CC1=NNC(C)=C1Br HY-W016754 [0,1,0,0,0,0|2,0,0]=3 41 B8R1.50 CC1=NOC(N)=C1Cl HY-70065 [0,1,0,0,0,0|3,0,0]=4 42 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [0,0,1,0,0,0|3,0,0]=4 43 B6R0.2 CC(C)SC(=N)N HY-101304 [0,0,1,0,0,0|1,0,2]=4 44 B6R0.4 C\C=C\CC(=O)O HY-W088501 [0,0,1,0,0,0|2,1,0]=4 45 B8R1.3 BrC1=CN=C(I)C=C1 HY-W002668 [0,0,0,0,0,1|3,0,0]=4 46 B8R1.3 BrC1=NC=C(I)C=C1 HY-W003027 [0,0,0,0,0,1|3,0,0]=4 47 B8R1.3 CC1=CC=C(N)C=N1 HY-66048 [0,0,0,0,0,1|2,0,0]=3 48 B8R1.3 CC1=CN=C(Br)C=C1 HY-W007353 [0,0,0,0,0,1|2,0,0]=3 49 B8R1.3 CC1=CN=C(C)C=N1 HY-34439 [0,0,0,0,0,1|1,0,0]=2 50 B8R1.3 CC1=CN=C(N)C=N1 HY-65255 [0,0,0,0,0,1|2,0,0]=3 51 B8R1.3 CC1=CNC(=O)C=C1 HY-W010566 [0,0,0,0,0,1|2,0,1]=4 52 B8R1.3 CC1=NN=C(Cl)C=C1 HY-W001297 [0,0,0,0,0,1|3,0,0]=4 53 B8R1.3 ClC1=CN=C(Cl)C=C1 HY-W015626 [0,0,0,0,0,1|3,0,0]=4 54 B8R1.3 ClC1=NC=C(Br)C=C1 HY-W002767 [0,0,0,0,0,1|3,0,0]=4 55 B8R1.3 ClC1=NC=C(I)C=C1 HY-W002858 [0,0,0,0,0,1|3,0,0]=4 56 B8R1.3 FC1=NC=C(Br)C=C1 HY-32746 [0,0,0,0,0,1|3,0,0]=4 57 B8R1.3 FC1=NC=C(Br)C=N1 HY-W008137 [0,0,0,0,0,1|3,0,0]=4 58 B8R1.3 FC1=NC=C(I)C=C1 HY-W007531 [0,0,0,0,0,1|3,0,0]=4 59 B8R1.3 NC1=CC=C(F)N=C1 HY-65254 [0,0,0,0,0,1|3,0,0]=4 60 B8R1.3 NC1=CN=C(Br)C=C1 HY-W016849 [0,0,0,0,0,1|3,0,0]=4 61 B8R1.3 NC1=CN=C(Cl)C=C1 HY-W007481 [0,0,0,0,0,1|3,0,0]=4 62 B8R1.3 NC1=NC=C(Br)N=C1 HY-59261 [0,0,0,0,0,1|3,0,0]=4 63 B8R1.3 NC1=NC=C(O)C=N1 HY-W018339 [0,0,0,0,0,1|3,0,0]=4 64 B8R1.4 BrC1=CN=CC(Br)=C1 HY-Y0491 [0,0,0,0,0,1|3,0,0]=4 65 B8R1.4 BrC1=NC=CC(I)=C1 HY-W008398 [0,0,0,0,0,1|3,0,0]=4 66 B8R1.4 CC1=CC(Br)=CC=N1 HY-W007447 [0,0,0,0,0,1|2,0,0]=3 67 B8R1.4 CC1=CC(C)=O[Ru]O1 HY-W020958 [0,0,0,0,0,1|3,0,0]=4 68 B8R1.4 CC1=CC(Cl)=NC=C1 HY-W010423 [0,0,0,0,0,1|2,0,0]=3 69 B8R1.4 CC1=CC(N)=NC=C1 HY-W003969 [0,0,0,0,0,1|2,0,0]=3 70 B8R1.4 CC1=CN=CC(C)=N1 HY-W040790 [0,0,0,0,0,1|1,0,0]=2 71 B8R1.4 CC1=NC(Cl)=CC=C1 HY-W001993 [0,0,0,0,0,1|3,0,0]=4 72 B8R1.4 ClC1=CC=NC(Br)=C1 HY-W003129 [0,0,0,0,0,1|3,0,0]=4 73 B8R1.4 ClC1=CN=CC(Br)=C1 HY-W003165 [0,0,0,0,0,1|3,0,0]=4 74 B8R1.4 ClC1=CN=CC(Cl)=C1 HY-W015627 [0,0,0,0,0,1|3,0,0]=4 75 B8R1.4 ClC1=NC=CC(Br)=C1 HY-32752 [0,0,0,0,0,1|3,0,0]=4 76 B8R1.4 ClC1=NC=CC(I)=C1 HY-32754 [0,0,0,0,0,1|3,0,0]=4 77 B8R1.4 FC1=CC(Br)=NC=C1 HY-W003601 [0,0,0,0,0,1|3,0,0]=4 78 B8R1.4 FC1=NC=CC(Br)=C1 HY-32742 [0,0,0,0,0,1|3,0,0]=4 79 B8R1.4 NC1=CC(Br)=CN=C1 HY-66052 [0,0,0,0,0,1|3,0,0]=4 80 B8R1.4 NC1=CN=CC(Cl)=N1 HY-59335 [0,0,0,0,0,1|3,0,0]=4 81 B8R1.4 NC1=NC(Cl)=NC=C1 HY-30139 [0,0,0,0,0,1|3,0,0]=4 82 B8R1.4 NC1=NC=CC(Br)=C1 HY-41000 [0,0,0,0,0,1|3,0,0]=4 83 B8R1.4 NC1=NC=CC(Cl)=C1 HY-60325 [0,0,0,0,0,1|3,0,0]=4 84 B8R1.4 NC1=NC=CC(F)=C1 HY-W005118 [0,0,0,0,0,1|3,0,0]=4 85 B8R1.4 OC1=CC(Cl)=NC=C1 HY-I0304 [0,0,0,0,0,1|3,0,0]=4 86 B8R1.4 OC1=CC(O)=NC=N1 HY-W015902 [0,0,0,0,0,1|3,0,0]=4 87 B8R1.4 OC1=CN=CC(Br)=C1 HY-66053 [0,0,0,0,0,1|3,0,0]=4 88 B8R1.4 OC1=NC=CC(Br)=C1 HY-65036 [0,0,0,0,0,1|3,0,0]=4 89 B5R0.1 CC(C)=CC=O HY-34409 [1,0,1,0,0,0|2,0,0]=4 90 B5R0.1 CCSC(=N)N HY-101252 [1,0,1,0,0,0|1,0,1]=4 91 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,0,1,0,0,0|1,1,0]=4 92 B5R1.1 C1=CNC=N1 HY-D0837 [2,0,0,0,0,0|1,0,0]=3 93 B5R1.1 C1=CNC=N1 HY-ER010 [2,0,0,0,0,0|1,0,0]=3 94 B5R1.1 C1=CNN=C1 HY-76228 [2,0,0,0,0,0|2,0,0]=4 95 B5R1.1 C1=COC=N1 HY-34631 [2,0,0,0,0,0|0,1,0]=3 96 B5R1.1 C1=CON=C1 HY-W010649 [2,0,0,0,0,0|2,0,0]=4 97 B5R1.1 C1=NC=NN1 HY-Y0219 [2,0,0,0,0,0|2,0,0]=4 98 B5R1.1 C1=NC=NN1 HY-Y0219R [2,0,0,0,0,0|2,0,0]=4 99 B5R1.1 C1=NN=CN1 HY-Y0219A [2,0,0,0,0,0|2,0,0]=4 100 B7R1.1 CCN1C=CC=N1 HY-Z1094 [1,1,0,0,0,0|2,0,0]=4 101 B7R1.1 N#CC1=NC=CS1 HY-W003625 [1,1,0,0,0,0|0,0,1]=3 102 B7R1.1 O=CC1=CC=CS1 HY-W012941 [1,1,0,0,0,0|1,0,1]=4 103 B7R1.1 O=CC1=CN=CS1 HY-69015 [1,1,0,0,0,0|0,0,1]=3 104 B7R1.1 O=CC1=NC=CN1 HY-W007321 [1,1,0,0,0,0|1,0,1]=4 105 B7R1.1 OCC1=CC=CS1 HY-34751 [1,1,0,0,0,0|1,0,0]=3 106 B7R1.1 OCC1=CN=CS1 HY-W012905 [1,1,0,0,0,0|0,0,0]=2 107 B7R1.1 OCC1=CNN=C1 HY-33914 [1,1,0,0,0,0|2,0,0]=4 108 B7R1.1 OCC1=COC=C1 HY-W007708 [1,1,0,0,0,0|2,0,0]=4 109 B7R1.4 CC1=CNN=C1C HY-W019334 [1,1,0,0,0,0|2,0,0]=4 110 B7R1.4 CN1C=CN=C1S HY-B0208 [1,1,0,0,0,0|2,0,0]=4 111 B7R1.4 CN1SC=CC1=O HY-W010243 [1,1,0,0,0,0|2,0,0]=4 112 B7R1.4 CN1SC=CC1=O HY-W010520 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.1 CNC1=CC=C(C)C=C1 HY-W017767 [0,1,0,0,0,1|2,0,0]=4 114 B9R1.1 COC1=CC=C(C)C=C1 HY-W012835 [0,1,0,0,0,1|2,0,0]=4 115 B9R1.1 COC1=NC=C(Br)C=C1 HY-32756 [0,1,0,0,0,1|2,0,0]=4 116 B9R1.1 COC1=NC=C(N)C=C1 HY-W001994 [0,1,0,0,0,1|2,0,0]=4 117 B9R1.1 OCC1=CC=C(Br)N=C1 HY-W016116 [0,1,0,0,0,1|2,0,0]=4 118 B9R1.1 OCC1=NC=C(Br)C=C1 HY-32837 [0,1,0,0,0,1|2,0,0]=4 119 B9R1.1 OCC1=NC=C(O)C=C1 HY-W007140 [0,1,0,0,0,1|2,0,0]=4 120 B9R1.69 CC1=C(N)NC(=O)N=C1 HY-W008091 [0,1,0,0,0,1|2,0,0]=4 121 B9R1.69 CC1=C(N)NC(=O)N=C1 HY-W008091R [0,1,0,0,0,1|2,0,0]=4 122 B9R1.69 CC1=CN=C(C)C(C)=N1 HY-W010476 [0,1,0,0,0,1|1,0,0]=3 123 B9R1.69 CC1=NC=C(Br)C=C1N HY-W003575 [0,1,0,0,0,1|2,0,0]=4 124 B9R1.2 COC1=CC(Cl)=NC=C1 HY-W007914 [0,1,0,0,0,1|2,0,0]=4 125 B9R1.2 COC1=CC(N)=NC=C1 HY-20459 [0,1,0,0,0,1|2,0,0]=4 126 B9R1.2 COC1=CC=CC(C)=C1 HY-115127 [0,1,0,0,0,1|2,0,0]=4 127 B9R1.2 COC1=CN=CC(Br)=C1 HY-W007427 [0,1,0,0,0,1|2,0,0]=4 128 B9R1.2 COC1=NC=CC(N)=N1 HY-69014 [0,1,0,0,0,1|2,0,0]=4 129 B9R1.2 NCC1=CC(Cl)=NC=C1 HY-101771A [0,1,0,0,0,1|2,0,0]=4 130 B9R1.2 OCC1=CC(Cl)=NC=C1 HY-W003365 [0,1,0,0,0,1|2,0,0]=4 131 B9R1.3 CC1=CN=CC(F)=C1N HY-W100209 [0,1,0,0,0,1|2,0,0]=4 132 B9R1.34 CC1=CC(=O)C=C(C)O1 HY-W010469 [0,1,0,0,0,1|1,1,0]=4 133 B9R1.7 CN1C=NC(CCN)=C1 HY-W053787 [0,2,0,0,0,0|2,0,0]=4 134 B9R1.21 OCC1=CC=C(CO)O1 HY-W017782 [0,2,0,0,0,0|1,1,0]=4 135 B9R1.22 CC1=CC(C#N)=C(N)S1 HY-W015773 [0,2,0,0,0,0|2,0,0]=4 136 B9R1.35 CC(=O)C1=CC=C(C)S1 HY-W002097 [0,2,0,0,0,0|1,0,0]=3 137 B9R1.35 O=C(O)C1=CN=C(Br)S1 HY-33287 [0,2,0,0,0,0|1,0,1]=4 138 B7R1.3 CC1=NC=CN=C1 HY-W067358 [0,0,1,1,0,0|1,0,1]=4 139 B5R0.5 C=C(C)C(N)=O HY-W020027 [0,0,1,0,1,0|1,0,1]=4