0 B9R1.41 CN1N=CC=C1C(=O)O HY-34505 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.7 CC(=O)C1=CC=CO1 HY-W015912 [1,0,0,0,0,0|1,0,0]=2 2 B8R1.7 CC(=O)C1=CC=CS1 HY-20585 [1,0,0,0,0,0|1,0,0]=2 3 B8R1.7 CC(=O)C1=CSC=C1 HY-W007361 [1,0,0,0,0,0|2,0,0]=3 4 B8R1.7 CC(=O)C1=NC=CS1 HY-Y0045 [1,0,0,0,0,0|1,0,1]=3 5 B8R1.7 CC(C)C1=NC=CN1 HY-W001201 [1,0,0,0,0,0|2,0,1]=4 6 B8R1.7 O=C(O)C1=CC=CO1 HY-W012946 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.7 O=C(O)C1=CC=NS1 HY-W042027 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.7 O=C(O)C1=CN=CN1 HY-W007695 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.7 O=C(O)C1=COC=C1 HY-21075 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.7 O=C(O)C1=CSC=C1 HY-W004615 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.7 O=C(O)C1=CSC=N1 HY-59320 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.7 O=C(O)C1=NNC=C1 HY-W002328 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.7 O=C(O)[C@@H]1C=CCN1 HY-W015897 [1,0,0,0,0,0|1,0,2]=4 14 B8R1.7 O=[N+]([O-])C1=CN=CN1 HY-78644 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.11 O=CC1=C(Br)C=CS1 HY-W007753 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 HY-114517 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.149 COC(=O)C1=C(N)C=CS1 HY-20095 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.194 CC1=NC=C([N+](=O)[O-])N1C HY-B1244 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.61 CC(=O)C1=CC=CC=C1Br HY-W007689 [0,0,0,0,0,1|2,0,0]=3 20 B10R1.61 CC(=O)C1=CC=CC=C1F HY-Y1133 [0,0,0,0,0,1|2,0,0]=3 21 B10R1.61 CC(=O)C1=CC=CC=C1N HY-I0501R [0,0,0,0,0,1|2,0,0]=3 22 B10R1.61 CC(=O)C1=CC=CC=C1O HY-Y1426 [0,0,0,0,0,1|2,0,0]=3 23 B10R1.61 CC1=CC=CC=C1C(=O)O HY-41494 [0,0,0,0,0,1|2,0,0]=3 24 B10R1.61 NC(=O)C1=CC=CC=C1O HY-B0811 [0,0,0,0,0,1|3,0,0]=4 25 B10R1.61 NC1=C(C(=O)O)C=CN=C1 HY-65257 [0,0,0,0,0,1|3,0,0]=4 26 B10R1.61 NC1=CC=NC=C1C(=O)O HY-W002555 [0,0,0,0,0,1|3,0,0]=4 27 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 HY-W017249 [0,0,0,0,0,1|3,0,0]=4 28 B10R1.61 O=C(O)C1=C(S)C=CC=C1 HY-Y0102 [0,0,0,0,0,1|3,0,0]=4 29 B10R1.61 O=C(O)C1=CC=CC=C1F HY-Y1115 [0,0,0,0,0,1|3,0,0]=4 30 B10R1.61 O=C(O)C1=CC=CC=C1I HY-77433 [0,0,0,0,0,1|3,0,0]=4 31 B10R1.61 O=C(O)C1=CC=CC=C1O HY-B0167 [0,0,0,0,0,1|3,0,0]=4 32 B10R1.61 O=C(O)C1=CC=CC=C1O HY-B0167R [0,0,0,0,0,1|3,0,0]=4 33 B10R1.61 O=C(O)C1=NC=CC=C1O HY-Y0030 [0,0,0,0,0,1|3,0,0]=4 34 B10R1.61 O=C(O)C1=NC=CC=C1O HY-Y0030A [0,0,0,0,0,1|3,0,0]=4 35 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 HY-W014915 [0,0,0,0,0,1|3,0,0]=4 36 B10R1.113 CC(=O)C1=CC(N)=CC=C1 HY-W012637 [0,0,0,0,0,1|2,0,0]=3 37 B10R1.113 CC(=O)C1=CC=CC(O)=C1 HY-Y0603 [0,0,0,0,0,1|2,0,0]=3 38 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 HY-W002593 [0,0,0,0,0,1|2,0,0]=3 39 B10R1.113 CC1=CC(C(=O)O)=CC=C1 HY-78571 [0,0,0,0,0,1|2,0,0]=3 40 B10R1.113 CC1=CC=CC(C(=O)O)=N1 HY-W002139 [0,0,0,0,0,1|2,0,0]=3 41 B10R1.113 CN1CCC=C(C(=O)O)C1 HY-N2368 [0,0,0,0,0,1|1,0,2]=4 42 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 HY-N0415 [0,0,0,0,0,1|1,0,1]=3 43 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 HY-113527 [0,0,0,0,0,1|1,0,1]=3 44 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 HY-113527R [0,0,0,0,0,1|1,0,1]=3 45 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 HY-W009418 [0,0,0,0,0,1|1,0,1]=3 46 B10R1.113 NC(=O)C1=CC=CC(N)=C1 HY-12022 [0,0,0,0,0,1|3,0,0]=4 47 B10R1.113 NC(=O)C1=C[N+]([O-])=CC=C1 HY-101407 [0,0,0,0,0,1|2,0,1]=4 48 B10R1.113 NC1=CC(C(=O)O)=CC=C1 HY-I0746 [0,0,0,0,0,1|3,0,0]=4 49 B10R1.113 NC1=CC=CC(C(=O)O)=N1 HY-W002540 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.113 NC1C=CC=C(C(=O)O)C1 HY-15377 [0,0,0,0,0,1|3,0,0]=4 51 B10R1.113 O=C(O)C1=CC(F)=CC=C1 HY-W015753 [0,0,0,0,0,1|3,0,0]=4 52 B10R1.113 O=C(O)C1=CC(O)=CC=C1 HY-W004049 [0,0,0,0,0,1|3,0,0]=4 53 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 HY-Y0403 [0,0,0,0,0,1|3,0,0]=4 54 B10R1.113 O=C(O)C1=CC=CC(I)=C1 HY-Y0931 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.113 O=C(O)C1=C[N+]([O-])=CC=C1 HY-B1061 [0,0,0,0,0,1|2,0,1]=4 56 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [1,0,1,0,0,0|1,0,0]=3 57 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [1,0,1,0,0,0|1,0,0]=3 58 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626A [1,0,1,0,0,0|1,0,0]=3 59 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626AR [1,0,1,0,0,0|1,0,0]=3 60 B7R0.1 C(C=O)=C/C=CCC HY-W012952 [1,0,1,0,0,0|1,0,0]=3 61 B7R1.1 O=CC1=CC=CS1 HY-W012941 [2,0,0,0,0,0|1,0,0]=3 62 B7R1.1 O=CC1=CN=CS1 HY-69015 [2,0,0,0,0,0|2,0,0]=4 63 B7R1.1 O=CC1=CNC=C1 HY-59307 [2,0,0,0,0,0|2,0,0]=4 64 B7R1.1 O=CC1=CNC=N1 HY-59303 [2,0,0,0,0,0|1,0,1]=4 65 B7R1.1 O=CC1=NC=CN1 HY-W007321 [2,0,0,0,0,0|1,0,0]=3 66 B7R1.4 CN1C=CN=C1S HY-B0208 [2,0,0,0,0,0|1,1,0]=4 67 B7R1.4 CN1SC=CC1=O HY-W010243 [2,0,0,0,0,0|1,0,0]=3 68 B7R1.4 CN1SC=CC1=O HY-W010520 [2,0,0,0,0,0|1,0,0]=3 69 B9R1.11 COC(=O)C1=CC=CN1 HY-W012802 [1,1,0,0,0,0|0,0,0]=2 70 B9R1.11 COC(=O)C1=CC=CO1 HY-Y0949 [1,1,0,0,0,0|1,0,0]=3 71 B9R1.35 CC(=O)C1=CC=C(C)S1 HY-W002097 [1,1,0,0,0,0|1,0,0]=3 72 B9R1.35 O=C(O)C1=CC=C(Br)S1 HY-30133 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.35 O=C(O)C1=CC=C(Cl)S1 HY-76835 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.53 CCC1=NC=CN=C1C(C)=O HY-W039157 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.53 COC1=CC=CC=C1C(=O)O HY-N1393 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.53 O=C(O)C1=CC=CC=C1CO HY-W019358 [0,1,0,0,0,1|2,0,0]=4 77 B11R1.156 CC(=O)C1=C(O)C=CC=C1O HY-Y0106 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.156 CC1=CC=CC(N)=C1C(=O)O HY-41496 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.166 CC(=O)C1=CC=C(C)C=C1C HY-W015618 [0,1,0,0,0,1|1,0,0]=3 80 B11R1.166 CC(=O)C1=CC=C(C)C=C1O HY-34204 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1O HY-22225 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.166 CC(=O)C1=CC=C(O)C=C1C HY-W010254 [0,1,0,0,0,1|1,0,0]=3 83 B11R1.166 CC(=O)C1=CC=C(O)C=C1O HY-Y0694 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.166 CC1=CC(Br)=CC=C1C(=O)O HY-W004863 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.167 CC(=O)C1=C(F)C=CC(Br)=C1 HY-69249 [0,1,0,0,0,1|2,0,0]=4 86 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 HY-W100681 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1O HY-W004713 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.167 CC(=O)C1=CC(O)=CC=C1O HY-W001174 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.222 COC(=O)C1=C(N)C=NC=C1 HY-W002874 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.222 COC(=O)C1=CC=CC=C1O HY-Y0189 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.222 COC(=O)C1=CC=CC=C1O HY-Y0189R [0,1,0,0,0,1|2,0,0]=4 92 B11R1.222 COC(=O)C1=CC=CN=C1N HY-76735 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.222 O=C(CBr)C1=CC=CC=C1F HY-W004082 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.21 CC(=O)C1=CC=C(O)C(C)=C1 HY-W001663 [0,1,0,0,0,1|1,0,0]=3 95 B11R1.21 CC(=O)C1=CC=C(O)C(O)=C1 HY-N1775 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.21 CC1=CC(C(=O)O)=CC=C1O HY-W002587 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.21 CC1=CC=C(C(=O)O)C=C1C HY-W017434 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.21 CN1C=C(C(=O)O)C=CC1=O HY-N4226 [0,1,0,0,0,1|1,0,0]=3 99 B11R1.21 CN1C=C(C(N)=O)C=CC1=O HY-113432 [0,1,0,0,0,1|1,0,0]=3 100 B11R1.21 CN1C=C(C(N)=O)C=CC1=O HY-113432R [0,1,0,0,0,1|1,0,0]=3 101 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 HY-W015318 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.23 COC(=O)C1=CC=CC(Cl)=C1 HY-Z0690 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.23 COC(=O)C1=CC=CC(O)=C1 HY-90004 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.23 COC(=O)C1=CCCN(C)C1 HY-B0489 [0,1,0,0,0,1|0,0,2]=4 105 B11R1.23 COC(=O)C1=CCCN(C)C1 HY-N2364 [0,1,0,0,0,1|0,0,2]=4 106 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 HY-76562 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 HY-W034065 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.266 COC1=CC(C(=O)O)=CC=C1 HY-Y0760 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.266 COC1=CC(C(N)=O)=CC=C1 HY-121497 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.49 CCN1N=C(C)C=C1C(=O)O HY-22365 [0,2,0,0,0,0|2,0,0]=4 111 B9R1.2 COC1=CC=CC(C)=C1 HY-115127 [0,0,1,1,0,0|2,0,0]=4 112 B9R1.6 CC(=O)C1=CC=CC=C1 HY-Y0989 [0,0,1,1,0,0|1,0,1]=4 113 B9R1.15 COC1=C(C)C=CC=C1 HY-W027751 [0,0,1,1,0,0|2,0,0]=4 114 B11R2.1 O=C1CCC2=C1C=CC=C2 HY-W004333 [0,0,0,1,0,1|1,0,0]=3 115 B11R2.1 O=C1NCC2=C1C=CC=C2 HY-W004767 [0,0,0,1,0,1|2,0,0]=4 116 B11R2.1 O=C1OCC2=CC=CC=C12 HY-W015820 [0,0,0,1,0,1|2,0,0]=4 117 B11R2.106 O=C1CCCC2=C1C=CS2 HY-78667 [0,1,0,1,0,0|2,0,0]=4 118 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 HY-W015600 [0,0,0,0,0,2|2,0,0]=4 119 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 HY-B1309 [0,0,0,0,0,2|2,0,0]=4 120 B11R1.157 CC(=O)OC1=CC=CC(O)=C1 HY-B0894 [0,0,0,0,0,2|2,0,0]=4 121 B11R1.157 CC1=CC(CC(=O)O)=CC=C1 HY-W053507 [0,0,0,0,0,2|2,0,0]=4