0 B7R1.1 CCN1C=CC=N1 HY-Z1094 [0,0,0,0,0,0|3,0,0]=3 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|0,2,1]=3 3 B7R1.1 O=CC1=CN=CS1 HY-69015 [0,0,0,0,0,0|1,2,1]=4 4 B7R1.1 O=CC1=CNC=C1 HY-59307 [0,0,0,0,0,0|2,1,1]=4 5 B7R1.1 O=CC1=CNC=N1 HY-59303 [0,0,0,0,0,0|2,1,1]=4 6 B7R1.1 O=CC1=NC=CN1 HY-W007321 [0,0,0,0,0,0|2,1,1]=4 7 B7R1.1 OCC1=CC=CS1 HY-34751 [0,0,0,0,0,0|0,2,0]=2 8 B7R1.1 OCC1=CN=CS1 HY-W012905 [0,0,0,0,0,0|1,2,0]=3 9 B7R1.1 OCC1=CNN=C1 HY-33914 [0,0,0,0,0,0|3,1,0]=4 10 B7R1.1 OCC1=COC=C1 HY-W007708 [0,0,0,0,0,0|2,1,0]=3 11 B6R1.2 BrC1=CNC=N1 HY-W002226 [1,0,0,0,0,0|3,0,0]=4 12 B6R1.2 BrC1=CSC=C1 HY-59299 [1,0,0,0,0,0|3,0,0]=4 13 B6R1.2 BrC1=NC=CS1 HY-W001223 [1,0,0,0,0,0|2,1,0]=4 14 B6R1.2 CC1=CC=CS1 HY-W010615 [1,0,0,0,0,0|0,1,0]=2 15 B6R1.2 CC1=CNN=C1 HY-B0876A [1,0,0,0,0,0|3,0,0]=4 16 B6R1.2 CC1=NNC=C1 HY-66054 [1,0,0,0,0,0|2,0,0]=3 17 B6R1.2 CN1C=CN=C1 HY-59137 [1,0,0,0,0,0|3,0,0]=4 18 B6R1.2 IC1=CN=CN1 HY-W002802 [1,0,0,0,0,0|3,0,0]=4 19 B6R1.2 NC1=NC=CN1 HY-W062216 [1,0,0,0,0,0|3,0,0]=4 20 B6R1.2 NC1=NC=CS1 HY-12396 [1,0,0,0,0,0|2,1,0]=4 21 B6R1.2 NC1=NOC=C1 HY-W007329 [1,0,0,0,0,0|3,0,0]=4 22 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,0,0,0|1,1,1]=4 23 B6R1.2 O=C1C=CCO1 HY-W008270 [1,0,0,0,0,0|0,1,1]=3 24 B8R1.1 CC1=CC(CO)=NO1 HY-W012937 [0,1,0,0,0,0|2,1,0]=4 25 B8R1.1 CC1=CC=C(C=O)O1 HY-Y0543 [0,1,0,0,0,0|0,1,1]=3 26 B8R1.1 CC1=CC=C(C=O)S1 HY-34465 [0,1,0,0,0,0|0,2,1]=4 27 B8R1.1 CC1=CC=C(CO)O1 HY-W087919 [0,1,0,0,0,0|0,1,0]=2 28 B8R1.1 O=CC1=CC=C(Br)S1 HY-59174 [0,1,0,0,0,0|0,2,1]=4 29 B8R1.1 O=CC1=CC=C(Cl)S1 HY-W002227 [0,1,0,0,0,0|0,2,1]=4 30 B8R1.7 CC(=O)C1=CC=CO1 HY-W015912 [0,1,0,0,0,0|0,1,1]=3 31 B8R1.7 CC(=O)C1=CC=CS1 HY-20585 [0,1,0,0,0,0|0,2,1]=4 32 B8R1.7 CC(C)C1=NC=CN1 HY-W001201 [0,1,0,0,0,0|3,0,0]=4 33 B8R1.7 O=C(O)C1=CC=CO1 HY-W012946 [0,1,0,0,0,0|0,1,1]=3 34 B8R1.8 CCCN1C=CC=N1 HY-Z1093 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.8 NCCC1=CN=CN1 HY-B0722 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.8 NCCC1=CN=CN1 HY-B0722R [0,1,0,0,0,0|3,0,0]=4 37 B8R1.8 NCCC1=CN=CN1 HY-B1204 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.8 NCCC1=CN=CN1 HY-B1204R [0,1,0,0,0,0|3,0,0]=4 39 B8R1.8 NCCC1=CNC=N1 HY-A0129 [0,1,0,0,0,0|3,0,0]=4 40 B8R1.11 O=CC1=C(Br)C=CS1 HY-W007753 [0,1,0,0,0,0|0,2,1]=4 41 B6R0.6 C(CO)=CCCC HY-W015936 [0,0,1,0,0,0|1,0,2]=4 42 B6R0.6 CCC\C=C\C=O HY-128429 [0,0,1,0,0,0|1,0,2]=4 43 B6R0.6 CC\C=C/CCO HY-W010607 [0,0,1,0,0,0|1,0,2]=4 44 B6R0.6 C\C=C\C=C\CO HY-W017690 [0,0,1,0,0,0|1,1,0]=3 45 B8R1.2 BrCC1=CC=CN=C1 HY-W004131 [0,0,0,0,0,1|2,0,0]=3 46 B8R1.2 C#CC1=CC=CN=C1 HY-34604 [0,0,0,0,0,1|2,0,1]=4 47 B8R1.2 CCC1=NC=CN=C1 HY-W040948 [0,0,0,0,0,1|2,0,0]=3 48 B8R1.2 COC1=CC=NC=C1 HY-W007634 [0,0,0,0,0,1|3,0,0]=4 49 B8R1.2 COC1=CN=CC=C1 HY-W008119 [0,0,0,0,0,1|3,0,0]=4 50 B8R1.2 COC1=CN=CC=N1 HY-W010562 [0,0,0,0,0,1|3,0,0]=4 51 B8R1.2 ClCC1=NC=CC=N1 HY-52102 [0,0,0,0,0,1|2,0,0]=3 52 B8R1.2 N#CC1=NC=CC=N1 HY-Y0241 [0,0,0,0,0,1|2,0,1]=4 53 B8R1.2 N#CC1=NC=CN=C1 HY-Y0131 [0,0,0,0,0,1|2,0,1]=4 54 B8R1.2 NCC1=CC=CC=C1 HY-76253 [0,0,0,0,0,1|2,0,0]=3 55 B8R1.2 NCC1=CC=CN=C1 HY-Y0047 [0,0,0,0,0,1|2,0,0]=3 56 B8R1.2 NCC1=CC=NC=C1 HY-W007632 [0,0,0,0,0,1|2,0,0]=3 57 B8R1.2 NCC1=NC=CC=N1 HY-60347A [0,0,0,0,0,1|2,0,0]=3 58 B8R1.2 O=NC1=CC=CC=C1 HY-121641 [0,0,0,0,0,1|2,1,0]=4 59 B8R1.2 O=NC1=NC=CC=C1 HY-136590 [0,0,0,0,0,1|2,1,0]=4 60 B8R1.2 O=[As]C1=CC=CC=C1 HY-131901 [0,0,0,0,0,1|2,1,0]=4 61 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [0,0,0,0,0,1|1,1,0]=3 62 B8R1.2 OCC1=CC=CC=C1 HY-B0892R [0,0,0,0,0,1|1,1,0]=3 63 B8R1.2 OCC1=CC=CN=C1 HY-B0893 [0,0,0,0,0,1|1,1,0]=3 64 B8R1.2 OCC1=NC=CC=C1 HY-Y0004 [0,0,0,0,0,1|1,1,0]=3 65 B8R1.2 OCC1CCC=CO1 HY-34692 [0,0,0,0,0,1|0,1,2]=4 66 B5R0.1 C=CCC(=O)O HY-W068697 [1,0,1,0,0,0|0,1,1]=4 67 B5R0.1 CC(C)=CC=O HY-34409 [1,0,1,0,0,0|2,0,0]=4 68 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,0,1,0,0,0|0,1,1]=4 69 B5R0.2 CC\C=C/CO HY-W030347 [1,0,1,0,0,0|0,0,2]=4 70 B5R0.2 CC\C=C\C=O HY-W111375 [1,0,1,0,0,0|0,0,2]=4 71 B5R0.2 OC\C=C/CO HY-W027631 [1,0,1,0,0,0|0,1,1]=4 72 B5R0.3 O=C(CS)O[Na] HY-W115724 [1,0,1,0,0,0|2,0,0]=4 73 B5R1.1 C1=CNC=N1 HY-D0837 [2,0,0,0,0,0|2,0,0]=4 74 B5R1.1 C1=CNC=N1 HY-ER010 [2,0,0,0,0,0|2,0,0]=4 75 B5R1.1 C1=CNN=C1 HY-76228 [2,0,0,0,0,0|2,0,0]=4 76 B5R1.1 C1=COC=N1 HY-34631 [2,0,0,0,0,0|1,0,0]=3 77 B5R1.1 C1=CON=C1 HY-W010649 [2,0,0,0,0,0|1,0,0]=3 78 B7R0.1 C(C=O)=C/C=CCC HY-W012952 [0,1,1,0,0,0|1,0,1]=4 79 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [0,1,1,0,0,0|1,0,1]=4 80 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [0,1,1,0,0,0|1,0,1]=4 81 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [0,1,1,0,0,0|1,0,1]=4 82 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [0,1,1,0,0,0|1,0,1]=4 83 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,1,0,0,0,0|1,0,1]=4 84 B7R1.2 CC1=CC(N)=NN1 HY-75637 [1,1,0,0,0,0|2,0,0]=4 85 B7R1.2 CC1=CC(N)=NO1 HY-W041676 [1,1,0,0,0,0|1,0,0]=3 86 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [1,1,0,0,0,0|0,0,1]=3 87 B7R1.2 CC1=CN=C(N)S1 HY-WAA0093 [1,1,0,0,0,0|1,1,0]=4 88 B7R1.2 CC1=NN(C)C=C1 HY-W002168 [1,1,0,0,0,0|2,0,0]=4 89 B7R1.2 CN1C=CC(N)=N1 HY-76189 [1,1,0,0,0,0|2,0,0]=4 90 B7R1.2 O=C1C=CC(=O)N1 HY-W007324 [1,1,0,0,0,0|1,1,0]=4 91 B7R1.4 CC1=CNN=C1C HY-W019334 [1,1,0,0,0,0|2,0,0]=4 92 B7R1.4 CN1C=CN=C1S HY-B0208 [1,1,0,0,0,0|2,0,0]=4 93 B7R1.4 CN1SC=CC1=O HY-W010243 [1,1,0,0,0,0|1,1,0]=4 94 B7R1.4 CN1SC=CC1=O HY-W010520 [1,1,0,0,0,0|1,1,0]=4 95 B9R1.1 CCC1=CC=C(O)C=C1 HY-W012836 [0,1,0,0,0,1|2,0,0]=4 96 B9R1.1 NC1=CC=C(CO)C=C1 HY-W007465 [0,1,0,0,0,1|1,1,0]=4 97 B9R1.1 NCC1=CC=C(I)C=C1 HY-W013964 [0,1,0,0,0,1|2,0,0]=4 98 B9R1.1 NCC1=CC=C(O)C=C1 HY-W004078 [0,1,0,0,0,1|2,0,0]=4 99 B9R1.1 OCC1=CC=C(Br)N=C1 HY-W016116 [0,1,0,0,0,1|1,1,0]=4 100 B9R1.1 OCC1=CC=C(O)C=C1 HY-Y0892 [0,1,0,0,0,1|1,1,0]=4 101 B9R1.1 OCC1=NC=C(Br)C=C1 HY-32837 [0,1,0,0,0,1|1,1,0]=4 102 B9R1.1 OCC1=NC=C(O)C=C1 HY-W007140 [0,1,0,0,0,1|1,1,0]=4 103 B9R1.2 NCC1=CC(Cl)=NC=C1 HY-101771A [0,1,0,0,0,1|2,0,0]=4 104 B9R1.2 NCC1=CC(O)=CC=C1 HY-W069508 [0,1,0,0,0,1|2,0,0]=4 105 B9R1.2 OCC1=CC(Cl)=NC=C1 HY-W003365 [0,1,0,0,0,1|1,1,0]=4 106 B9R1.2 OCC1=NC(Br)=CC=C1 HY-32836 [0,1,0,0,0,1|1,1,0]=4 107 B9R1.6 CC(N)C1=CC=CC=C1 HY-W012848 [0,1,0,0,0,1|2,0,0]=4 108 B9R1.6 C[C@H](N)C1=CC=CC=C1 HY-75095 [0,1,0,0,0,1|2,0,0]=4 109 B9R1.8 BrCCC1=CC=CC=C1 HY-Y0199 [0,1,0,0,0,1|2,0,0]=4 110 B9R1.8 CCOC1=CC=CC=C1 HY-Y1207 [0,1,0,0,0,1|2,0,0]=4 111 B9R1.8 CNCC1=CC=CC=C1 HY-W007426 [0,1,0,0,0,1|2,0,0]=4 112 B9R1.8 NOCC1=CC=CC=C1 HY-41915 [0,1,0,0,0,1|1,1,0]=4 113 B9R1.8 OCCC1=CC=CC=C1 HY-B1290 [0,1,0,0,0,1|1,1,0]=4 114 B9R1.8 ONCC1=CC=CC=C1 HY-W002216 [0,1,0,0,0,1|1,1,0]=4 115 B9R1.8 [2H]OCC1=CC=CC=C1 HY-B0892S4 [0,1,0,0,0,1|1,1,0]=4 116 B9R1.15 NC1=CC=CC=C1CO HY-W004705 [0,1,0,0,0,1|1,1,0]=4 117 B9R1.15 NCC1=CC=CC=C1O HY-34350 [0,1,0,0,0,1|2,0,0]=4 118 B9R1.15 OCC1=CC=CC=C1I HY-W004678 [0,1,0,0,0,1|1,1,0]=4 119 B9R1.15 OCC1=CC=CC=C1O HY-B1419 [0,1,0,0,0,1|1,1,0]=4 120 B9R1.21 O=CC1=CC=C(CO)O1 HY-Y0051 [0,2,0,0,0,0|0,1,0]=3 121 B9R1.21 OCC1=CC=C(CO)O1 HY-W017782 [0,2,0,0,0,0|0,1,0]=3 122 B9R1.11 COC(=O)C1=CC=CO1 HY-Y0949 [0,2,0,0,0,0|0,1,1]=4 123 B9R1.12 O=C\C=C\C1=CC=CO1 HY-W012845A [0,2,0,0,0,0|0,1,1]=4 124 B9R1.13 O=C(O)CC1=CC=CS1 HY-W001142 [0,2,0,0,0,0|0,2,0]=4 125 B7R1.3 OC1=CC=CN=C1 HY-Y1129 [0,0,1,1,0,0|1,0,1]=4 126 B9R2.3 C1=CC2=C(C=CS2)S1 HY-34607 [0,1,0,1,0,0|0,1,1]=4