0 B7R1.1 CCN1C=CC=N1 HY-Z1094 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.1 N#CC1=NC=CS1 HY-W003625 [0,0,0,0,0,0|2,1,1]=4 2 B7R1.1 O=CC1=CC=CS1 HY-W012941 [0,0,0,0,0,0|0,1,0]=1 3 B7R1.1 O=CC1=CN=CS1 HY-69015 [0,0,0,0,0,0|1,1,0]=2 4 B7R1.1 O=CC1=CNC=C1 HY-59307 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.1 O=CC1=CNC=N1 HY-59303 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.1 O=CC1=NC=CN1 HY-W007321 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.1 OCC1=CC=CS1 HY-34751 [0,0,0,0,0,0|0,1,2]=3 8 B7R1.1 OCC1=CN=CS1 HY-W012905 [0,0,0,0,0,0|1,1,2]=4 9 B7R1.1 OCC1=COC=C1 HY-W007708 [0,0,0,0,0,0|2,0,2]=4 10 B6R1.2 BrC1=CNC=N1 HY-W002226 [1,0,0,0,0,0|3,0,0]=4 11 B6R1.2 BrC1=CSC=C1 HY-59299 [1,0,0,0,0,0|3,0,0]=4 12 B6R1.2 BrC1=NC=CS1 HY-W001223 [1,0,0,0,0,0|2,1,0]=4 13 B6R1.2 CC1=CC=CS1 HY-W010615 [1,0,0,0,0,0|0,1,1]=3 14 B6R1.2 CC1=NNC=C1 HY-66054 [1,0,0,0,0,0|2,0,1]=4 15 B6R1.2 IC1=CN=CN1 HY-W002802 [1,0,0,0,0,0|3,0,0]=4 16 B6R1.2 NC1=NC=CN1 HY-W062216 [1,0,0,0,0,0|3,0,0]=4 17 B6R1.2 NC1=NC=CS1 HY-12396 [1,0,0,0,0,0|2,1,0]=4 18 B6R1.2 NC1=NOC=C1 HY-W007329 [1,0,0,0,0,0|3,0,0]=4 19 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,0,0,0|1,0,1]=3 20 B6R1.2 O=C1C=CCO1 HY-W008270 [1,0,0,0,0,0|0,0,1]=2 21 B8R1.1 CC1=CC=C(C=O)O1 HY-Y0543 [0,1,0,0,0,0|0,0,0]=1 22 B8R1.1 CC1=CC=C(C=O)S1 HY-34465 [0,1,0,0,0,0|0,1,0]=2 23 B8R1.1 CC1=CC=C(CO)O1 HY-W087919 [0,1,0,0,0,0|0,0,2]=3 24 B8R1.1 CN1C=C(C=O)C=N1 HY-69052 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.1 O=CC1=CC=C(Br)S1 HY-59174 [0,1,0,0,0,0|0,1,0]=2 26 B8R1.1 O=CC1=CC=C(Cl)S1 HY-W002227 [0,1,0,0,0,0|0,1,0]=2 27 B8R1.7 CC(=O)C1=CC=CO1 HY-W015912 [0,1,0,0,0,0|0,0,0]=1 28 B8R1.7 CC(=O)C1=CC=CS1 HY-20585 [0,1,0,0,0,0|0,1,0]=2 29 B8R1.7 CC(=O)C1=CSC=C1 HY-W007361 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.7 CC(=O)C1=NC=CS1 HY-Y0045 [0,1,0,0,0,0|1,1,0]=3 31 B8R1.7 N=C(N)N1C=CC=N1 HY-W017032 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.7 O=C(O)C1=CC=CO1 HY-W012946 [0,1,0,0,0,0|0,0,0]=1 33 B8R1.7 O=C(O)C1=CC=NS1 HY-W042027 [0,1,0,0,0,0|1,1,0]=3 34 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [0,1,0,0,0,0|1,0,2]=4 35 B8R1.7 O=C(O)C1=CN=CN1 HY-W007695 [0,1,0,0,0,0|2,0,0]=3 36 B8R1.7 O=C(O)C1=COC=C1 HY-21075 [0,1,0,0,0,0|2,0,0]=3 37 B8R1.7 O=C(O)C1=CSC=C1 HY-W004615 [0,1,0,0,0,0|2,0,0]=3 38 B8R1.7 O=C(O)C1=CSC=N1 HY-59320 [0,1,0,0,0,0|2,0,0]=3 39 B8R1.7 O=C(O)C1=NNC=C1 HY-W002328 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.7 O=C(O)[C@@H]1C=CCN1 HY-W015897 [0,1,0,0,0,0|1,0,2]=4 41 B8R1.7 O=[N+]([O-])C1=CN=CN1 HY-78644 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.7 O=[N+]([O-])C1=NNC=C1 HY-W002457 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.11 O=CC1=C(Br)C=CS1 HY-W007753 [0,1,0,0,0,0|0,1,0]=2 44 B6R0.6 CCC\C=C\C=O HY-128429 [0,0,1,0,0,0|1,0,2]=4 45 B6R0.6 C\C=C\C=C\CO HY-W017690 [0,0,1,0,0,0|1,0,1]=3 46 B8R1.2 BrCC1=CC=CN=C1 HY-W004131 [0,0,0,0,0,1|2,0,1]=4 47 B8R1.2 C#CC1=CC=CN=C1 HY-34604 [0,0,0,0,0,1|2,0,1]=4 48 B8R1.2 CCC1=NC=CN=C1 HY-W040948 [0,0,0,0,0,1|2,0,1]=4 49 B8R1.2 COC1=CC=NC=C1 HY-W007634 [0,0,0,0,0,1|3,0,0]=4 50 B8R1.2 COC1=CN=CC=C1 HY-W008119 [0,0,0,0,0,1|3,0,0]=4 51 B8R1.2 COC1=CN=CC=N1 HY-W010562 [0,0,0,0,0,1|3,0,0]=4 52 B8R1.2 ClCC1=NC=CC=N1 HY-52102 [0,0,0,0,0,1|2,0,1]=4 53 B8R1.2 N#CC1=NC=CC=N1 HY-Y0241 [0,0,0,0,0,1|2,0,1]=4 54 B8R1.2 N#CC1=NC=CN=C1 HY-Y0131 [0,0,0,0,0,1|2,0,1]=4 55 B8R1.2 NCC1=CC=CC=C1 HY-76253 [0,0,0,0,0,1|2,0,1]=4 56 B8R1.2 NCC1=CC=CN=C1 HY-Y0047 [0,0,0,0,0,1|2,0,1]=4 57 B8R1.2 NCC1=CC=NC=C1 HY-W007632 [0,0,0,0,0,1|2,0,1]=4 58 B8R1.2 NCC1=NC=CC=N1 HY-60347A [0,0,0,0,0,1|2,0,1]=4 59 B8R1.2 O=NC1=CC=CC=C1 HY-121641 [0,0,0,0,0,1|2,0,0]=3 60 B8R1.2 O=NC1=NC=CC=C1 HY-136590 [0,0,0,0,0,1|2,0,0]=3 61 B8R1.2 O=[As]C1=CC=CC=C1 HY-131901 [0,0,0,0,0,1|2,0,0]=3 62 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [0,0,0,0,0,1|1,0,2]=4 63 B8R1.2 OCC1=CC=CC=C1 HY-B0892R [0,0,0,0,0,1|1,0,2]=4 64 B8R1.2 OCC1=CC=CN=C1 HY-B0893 [0,0,0,0,0,1|1,0,2]=4 65 B8R1.2 OCC1=NC=CC=C1 HY-Y0004 [0,0,0,0,0,1|1,0,2]=4 66 B5R0.1 C=CCC(=O)O HY-W068697 [1,0,1,0,0,0|0,0,1]=3 67 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,0,1,0,0,0|0,0,1]=3 68 B5R0.2 CC\C=C\C=O HY-W111375 [1,0,1,0,0,0|0,0,2]=4 69 B5R1.1 C1=CNC=N1 HY-D0837 [2,0,0,0,0,0|2,0,0]=4 70 B5R1.1 C1=CNC=N1 HY-ER010 [2,0,0,0,0,0|2,0,0]=4 71 B5R1.1 C1=CNN=C1 HY-76228 [2,0,0,0,0,0|2,0,0]=4 72 B5R1.1 C1=COC=N1 HY-34631 [2,0,0,0,0,0|1,0,0]=3 73 B5R1.1 C1=CON=C1 HY-W010649 [2,0,0,0,0,0|1,0,0]=3 74 B7R0.1 C(C=O)=C/C=CCC HY-W012952 [0,1,1,0,0,0|1,0,0]=3 75 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [0,1,1,0,0,0|1,0,0]=3 76 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [0,1,1,0,0,0|1,0,0]=3 77 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626A [0,1,1,0,0,0|1,0,0]=3 78 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626AR [0,1,1,0,0,0|1,0,0]=3 79 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,1,0,0,0,0|1,0,1]=4 80 B7R1.2 CC1=CC(N)=NO1 HY-W041676 [1,1,0,0,0,0|1,0,1]=4 81 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [1,1,0,0,0,0|0,0,1]=3 82 B7R1.2 O=C1C=CC(=O)N1 HY-W007324 [1,1,0,0,0,0|1,0,0]=3 83 B7R1.2 O=C1CCC(=O)O1 HY-79369 [1,1,0,0,0,0|0,0,2]=4 84 B7R1.4 CN1SC=CC1=O HY-W010243 [1,1,0,0,0,0|2,0,0]=4 85 B7R1.4 CN1SC=CC1=O HY-W010520 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.1 C=CC1=CC=C(O)C=C1 HY-W005288 [0,1,0,0,0,1|2,0,0]=4 87 B9R1.1 CC1=CC=C(C=O)C=C1 HY-W012860 [0,1,0,0,0,1|1,0,0]=3 88 B9R1.1 NC1=CC=C(C=O)C=C1 HY-W076836 [0,1,0,0,0,1|1,0,0]=3 89 B9R1.1 O=CC1=CC=C(Br)C=C1 HY-W001138 [0,1,0,0,0,1|1,0,0]=3 90 B9R1.1 O=CC1=CC=C(Br)N=C1 HY-32786 [0,1,0,0,0,1|1,0,0]=3 91 B9R1.1 O=CC1=CC=C(F)C=C1 HY-Y0197 [0,1,0,0,0,1|1,0,0]=3 92 B9R1.1 O=CC1=CC=C(I)C=C1 HY-W002179 [0,1,0,0,0,1|1,0,0]=3 93 B9R1.1 O=CC1=CC=C(O)C=C1 HY-Y0313 [0,1,0,0,0,1|1,0,0]=3 94 B9R1.1 O=CC1=CC=C(O)C=C1 HY-Y0313R [0,1,0,0,0,1|1,0,0]=3 95 B9R1.2 CC1=CC(C=O)=CC=C1 HY-78086 [0,1,0,0,0,1|1,0,0]=3 96 B9R1.2 O=CC1=CC(Br)=CN=C1 HY-W003037 [0,1,0,0,0,1|1,0,0]=3 97 B9R1.2 O=CC1=CC(Cl)=CC=C1 HY-Y1863 [0,1,0,0,0,1|1,0,0]=3 98 B9R1.2 O=CC1=CC(Cl)=NC=C1 HY-W010309 [0,1,0,0,0,1|1,0,0]=3 99 B9R1.2 O=CC1=CC=CC(O)=C1 HY-76006 [0,1,0,0,0,1|1,0,0]=3 100 B9R1.2 O=CC1=NC(Br)=CC=C1 HY-60194 [0,1,0,0,0,1|1,0,0]=3 101 B9R1.6 CC(=O)C1=CC=CC=C1 HY-Y0989 [0,1,0,0,0,1|1,0,0]=3 102 B9R1.6 CC(=O)C1=CC=NC=C1 HY-Y0179 [0,1,0,0,0,1|1,0,0]=3 103 B9R1.6 CC(=O)C1=CN=CC=N1 HY-W007692 [0,1,0,0,0,1|1,0,0]=3 104 B9R1.6 N=C(N)C1=CC=CC=C1 HY-125913 [0,1,0,0,0,1|2,0,0]=4 105 B9R1.6 N=C(N)C1=CC=CC=C1 HY-W018781 [0,1,0,0,0,1|2,0,0]=4 106 B9R1.6 N=C(N)C1=CC=CC=C1 HY-W087937 [0,1,0,0,0,1|2,0,0]=4 107 B9R1.6 NC(=O)C1=CC=CC=C1 HY-Z0283 [0,1,0,0,0,1|1,0,0]=3 108 B9R1.6 NC(=O)C1=CC=CN=C1 HY-B0150 [0,1,0,0,0,1|1,0,0]=3 109 B9R1.6 NC(=O)C1=CC=CN=C1 HY-B0150R [0,1,0,0,0,1|1,0,0]=3 110 B9R1.6 NC(=O)C1=CC=NC=C1 HY-W012843 [0,1,0,0,0,1|1,0,0]=3 111 B9R1.6 NC(=O)C1=CC=NC=C1 HY-W012843R [0,1,0,0,0,1|1,0,0]=3 112 B9R1.6 NC(=O)C1=NC=CC=C1 HY-101020 [0,1,0,0,0,1|1,0,0]=3 113 B9R1.6 NC(=O)C1=NC=CN=C1 HY-B0271 [0,1,0,0,0,1|1,0,0]=3 114 B9R1.6 NC(=S)C1=CC=NC=C1 HY-N7130 [0,1,0,0,0,1|1,1,0]=4 115 B9R1.6 NC(=S)C1=NC=CC=C1 HY-W002356 [0,1,0,0,0,1|1,1,0]=4 116 B9R1.6 O=C(O)C1=CC=CC=C1 HY-N0216 [0,1,0,0,0,1|1,0,0]=3 117 B9R1.6 O=C(O)C1=CC=CC=C1 HY-N0216R [0,1,0,0,0,1|1,0,0]=3 118 B9R1.6 O=C(O)C1=CC=CC=C1 HY-W015761 [0,1,0,0,0,1|1,0,0]=3 119 B9R1.6 O=C(O)C1=CC=CC=N1 HY-I0660 [0,1,0,0,0,1|1,0,0]=3 120 B9R1.6 O=C(O)C1=CC=CC=N1 HY-I0660R [0,1,0,0,0,1|1,0,0]=3 121 B9R1.6 O=C(O)C1=CC=CN=C1 HY-B0143 [0,1,0,0,0,1|1,0,0]=3 122 B9R1.6 O=C(O)C1=CC=CN=C1 HY-B0143R [0,1,0,0,0,1|1,0,0]=3 123 B9R1.6 O=C(O)C1=CC=NC=C1 HY-I0736 [0,1,0,0,0,1|1,0,0]=3 124 B9R1.6 O=C(O)C1=CC=NN=C1 HY-W002066 [0,1,0,0,0,1|2,0,0]=4 125 B9R1.6 O=C(O)C1=NC=CC=N1 HY-60346 [0,1,0,0,0,1|1,0,0]=3 126 B9R1.6 O=C(O)C1=NC=CN=C1 HY-76353 [0,1,0,0,0,1|1,0,0]=3 127 B9R1.6 O=C(O)C1=NC=CN=C1 HY-76353R [0,1,0,0,0,1|1,0,0]=3 128 B9R1.6 O=C(O)C1=NC=NC=C1 HY-W002404 [0,1,0,0,0,1|1,0,0]=3 129 B9R1.6 O=[PH](O)C1=CC=CC=C1 HY-116210 [0,1,0,0,0,1|2,0,0]=4 130 B9R1.6 [15NH2]C(=O)C1=CC=CC=C1 HY-Z0283S [0,1,0,0,0,1|1,0,0]=3 131 B9R1.15 CC1=CC=CC=C1C=O HY-Y0442 [0,1,0,0,0,1|1,0,0]=3 132 B9R1.15 NC1=C(C=O)C=CC=N1 HY-75813 [0,1,0,0,0,1|1,0,0]=3 133 B9R1.15 O=CC1=CC=CC=C1I HY-W007846 [0,1,0,0,0,1|1,0,0]=3 134 B9R1.15 O=CC1=CC=CN=C1Cl HY-32791 [0,1,0,0,0,1|1,0,0]=3 135 B9R1.15 O=CC1=NC=CC=C1F HY-W001028 [0,1,0,0,0,1|1,0,0]=3 136 B9R1.21 O=CC1=CC=C(CO)O1 HY-Y0051 [0,2,0,0,0,0|0,0,0]=2 137 B9R1.21 OCC1=CC=C(CO)O1 HY-W017782 [0,2,0,0,0,0|0,0,2]=4 138 B9R1.35 CC(=O)C1=CC=C(C)S1 HY-W002097 [0,2,0,0,0,0|0,1,0]=3 139 B9R1.35 CN1C=CC(C(=O)O)=N1 HY-34603 [0,2,0,0,0,0|2,0,0]=4 140 B9R1.35 O=C(O)C1=CC=C(Br)S1 HY-30133 [0,2,0,0,0,0|0,1,0]=3 141 B9R1.35 O=C(O)C1=CC=C(Cl)S1 HY-76835 [0,2,0,0,0,0|0,1,0]=3 142 B9R1.35 O=C(O)C1=CN=C(Br)S1 HY-33287 [0,2,0,0,0,0|1,1,0]=4 143 B9R1.11 COC(=O)C1=CC=CN1 HY-W012802 [0,2,0,0,0,0|1,0,0]=3 144 B9R1.11 COC(=O)C1=CC=CO1 HY-Y0949 [0,2,0,0,0,0|0,0,0]=2 145 B9R1.11 N\C(=N/O)C1=CC=CS1 HY-117052 [0,2,0,0,0,0|0,1,1]=4 146 B9R1.41 CN1N=CC=C1C(=O)O HY-34505 [0,2,0,0,0,0|2,0,0]=4 147 B9R1.41 NC(=O)C1=C(N)NC=N1 HY-41461 [0,2,0,0,0,0|2,0,0]=4 148 B9R1.41 NC(=O)C1=C(N)NC=N1 HY-41461A [0,2,0,0,0,0|2,0,0]=4 149 B9R1.41 NC(=O)C1=C(O)NC=N1 HY-106048 [0,2,0,0,0,0|2,0,0]=4 150 B9R1.12 O=C\C=C\C1=CC=CO1 HY-W012845A [0,2,0,0,0,0|0,0,0]=2 151 B9R1.13 O=C(O)CC1=CC=CS1 HY-W001142 [0,2,0,0,0,0|0,1,0]=3 152 B9R1.13 O=C(O)CC1=CN=CN1 HY-113413 [0,2,0,0,0,0|2,0,0]=4 153 B9R1.13 O=C(O)CC1=CN=CN1 HY-W007686 [0,2,0,0,0,0|2,0,0]=4 154 B9R1.13 O=C(O)CC1=CSC=C1 HY-W001140 [0,2,0,0,0,0|2,0,0]=4 155 B7R1.3 IC1=CC=CC=C1 HY-Y0747 [0,0,1,1,0,0|2,0,0]=4 156 B7R1.3 OC1=CC=CN=C1 HY-Y1129 [0,0,1,1,0,0|1,0,0]=3 157 B9R2.3 C1=CC2=C(C=CS2)S1 HY-34607 [0,1,0,1,0,0|0,2,0]=4 158 B5R1.2 O=C1CCO1 HY-107931 [1,0,0,0,1,0|0,0,2]=4