0 B9R1.35 CC(=O)C1=CC=C(C)S1 HY-W002097 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CN1C=CC(C(=O)O)=N1 HY-34603 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 O=C(O)C1=CC=C(Br)S1 HY-30133 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 O=C(O)C1=CC=C(Cl)S1 HY-76835 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 O=C(O)C1=CN=C(Br)S1 HY-33287 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.1 CC1=CC(CO)=NO1 HY-W012937 [1,0,0,0,0,0|1,0,1]=3 6 B8R1.1 CC1=CC=C(C=O)O1 HY-Y0543 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.1 CC1=CC=C(C=O)S1 HY-34465 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.1 CN1C=C(C=O)C=N1 HY-69052 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.7 CC(=O)C1=CC=CO1 HY-W015912 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.7 CC(=O)C1=CC=CS1 HY-20585 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.7 CC(=O)C1=CSC=C1 HY-W007361 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.7 CC(=O)C1=NC=CS1 HY-Y0045 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.7 O=C(O)C1=CC=CO1 HY-W012946 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.7 O=C(O)C1=CC=NS1 HY-W042027 [1,0,0,0,0,0|1,0,1]=3 15 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.7 O=C(O)C1=CN=CN1 HY-W007695 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.7 O=C(O)C1=COC=C1 HY-21075 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.7 O=C(O)C1=CSC=C1 HY-W004615 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.7 O=C(O)C1=CSC=N1 HY-59320 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.7 O=C(O)C1=NNC=C1 HY-W002328 [1,0,0,0,0,0|0,0,0]=1 21 B8R1.7 O=C(O)[C@@H]1C=CCN1 HY-W015897 [1,0,0,0,0,0|1,0,2]=4 22 B8R1.7 O=[N+]([O-])C1=NNC=C1 HY-W002457 [1,0,0,0,0,0|1,0,1]=3 23 B10R1.31 O=C(O)C1=CC=C(CO)O1 HY-W005241 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.58 CC1=CC(C(=O)O)=NN1C HY-W004978 [0,1,0,0,0,0|0,0,0]=1 25 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 HY-114517 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 HY-W002255 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.9 COC(=O)\C=C\C(=O)O HY-103252 [0,0,1,0,0,0|3,0,0]=4 28 B8R0.23 C\C(=C/C(=O)O)C(=O)O HY-78036 [0,0,1,0,0,0|3,0,0]=4 29 B8R0.23 C\C(=C\C(=O)O)C(=O)O HY-113298 [0,0,1,0,0,0|3,0,0]=4 30 B8R0.28 CC(=O)NCCC(=O)O HY-66007 [0,0,1,0,0,0|2,0,1]=4 31 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HY-W012653 [0,0,0,0,0,1|3,0,0]=4 32 B10R1.13 CC1=CC=C(C(=O)O)C=C1 HY-76547 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.13 CC1=CN=C(C(=O)O)C=N1 HY-32739 [0,0,0,0,0,1|1,0,0]=2 34 B10R1.13 CC1=NC=C(C(=O)O)C=C1 HY-W008333 [0,0,0,0,0,1|1,0,1]=3 35 B10R1.13 CC1=NC=C(C(N)=O)C=C1 HY-W015815 [0,0,0,0,0,1|2,0,1]=4 36 B10R1.13 NC1=CC=C(C(=O)O)C=C1 HY-B1008 [0,0,0,0,0,1|3,0,0]=4 37 B10R1.13 NC1=CC=C(C(=O)O)C=C1 HY-B1008R [0,0,0,0,0,1|3,0,0]=4 38 B10R1.13 NC1=NC=C(C(=O)O)C=C1 HY-W015793 [0,0,0,0,0,1|2,0,1]=4 39 B10R1.13 O=C(O)C1=CC=C(Br)N=C1 HY-W002864 [0,0,0,0,0,1|2,0,1]=4 40 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 HY-41465 [0,0,0,0,0,1|3,0,0]=4 41 B10R1.13 O=C(O)C1=CC=C(F)C=C1 HY-W013677 [0,0,0,0,0,1|3,0,0]=4 42 B10R1.13 O=C(O)C1=CC=C(I)C=C1 HY-W013396 [0,0,0,0,0,1|3,0,0]=4 43 B10R1.13 O=C(O)C1=CC=C(O)C=C1 HY-Y0264 [0,0,0,0,0,1|3,0,0]=4 44 B10R1.13 O=C(O)C1=CC=C(O)C=C1 HY-Y0264R [0,0,0,0,0,1|3,0,0]=4 45 B10R1.13 O=C(O)C1=CC=C(O)N=C1 HY-W001996 [0,0,0,0,0,1|2,0,1]=4 46 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 HY-69142 [0,0,0,0,0,1|2,0,1]=4 47 B10R1.13 O=C(O)C1=NC=C(I)C=C1 HY-W041657 [0,0,0,0,0,1|2,0,0]=3 48 B10R1.13 O=C(O)C1=NC=C(O)N=C1 HY-76210 [0,0,0,0,0,1|2,0,0]=3 49 B10R1.13 O=C1C=CC(C(=O)O)=CO1 HY-32004 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.54 CN1C=NC(CC(=O)O)=C1 HY-13936 [0,0,0,0,0,1|2,0,0]=3 51 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 HY-W014915 [0,0,0,0,0,1|3,0,0]=4 52 B10R1.113 CC1=CC(C(=O)O)=CC=C1 HY-78571 [0,0,0,0,0,1|2,0,0]=3 53 B10R1.113 CC1=CC=CC(C(=O)O)=N1 HY-W002139 [0,0,0,0,0,1|3,0,0]=4 54 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 HY-N0415 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.113 NC1=CC(C(=O)O)=CC=C1 HY-I0746 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 HY-Y1013 [0,0,0,0,0,1|2,0,0]=3 57 B10R1.113 O=C(O)C1=CC(F)=CC=C1 HY-W015753 [0,0,0,0,0,1|3,0,0]=4 58 B10R1.113 O=C(O)C1=CC(O)=CC=C1 HY-W004049 [0,0,0,0,0,1|3,0,0]=4 59 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 HY-Y0403 [0,0,0,0,0,1|3,0,0]=4 60 B10R1.113 O=C(O)C1=CC=CC(I)=C1 HY-Y0931 [0,0,0,0,0,1|3,0,0]=4 61 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 HY-W002805 [0,0,0,0,0,1|2,0,1]=4 62 B10R1.113 O=C(O)C1=CC=NC(Cl)=C1 HY-65003 [0,0,0,0,0,1|2,0,1]=4 63 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 HY-W004860 [0,0,0,0,0,1|2,0,0]=3 64 B10R1.113 O=C1C=C(C(=O)O)C=CN1 HY-W002765 [0,0,0,0,0,1|2,0,0]=3 65 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [1,0,1,0,0,0|2,0,0]=4 66 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [1,0,1,0,0,0|2,0,0]=4 67 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [1,0,1,0,0,0|1,0,1]=4 68 B7R0.6 C(C(=O)O)=CC(=O)O HY-W015883 [1,0,1,0,0,0|2,0,0]=4 69 B7R0.6 NC(=O)\C=C/C(=O)O HY-128750 [1,0,1,0,0,0|1,0,0]=3 70 B7R0.6 O=C(O)\C=C/C(=O)O HY-Y0367 [1,0,1,0,0,0|2,0,0]=4 71 B7R0.6 O=C(O)\C=C\C(=O)O HY-107829 [1,0,1,0,0,0|2,0,0]=4 72 B7R0.6 O=C(O)\C=C\C(=O)O HY-W015883R [1,0,1,0,0,0|2,0,0]=4 73 B7R1.1 O=CC1=CC=CS1 HY-W012941 [2,0,0,0,0,0|2,0,0]=4 74 B7R1.1 O=CC1=CNC=C1 HY-59307 [2,0,0,0,0,0|1,0,0]=3 75 B7R1.1 O=CC1=CNC=N1 HY-59303 [2,0,0,0,0,0|2,0,0]=4 76 B7R1.1 O=CC1=NC=CN1 HY-W007321 [2,0,0,0,0,0|2,0,0]=4 77 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [2,0,0,0,0,0|2,0,0]=4 78 B7R1.2 CC1=CC(N)=NN1 HY-75637 [2,0,0,0,0,0|1,0,0]=3 79 B7R1.2 CC1=CC(N)=NO1 HY-W041676 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.11 COC(=O)C1=CC=CN1 HY-W012802 [1,1,0,0,0,0|1,0,1]=4 81 B9R1.11 COC(=O)C1=CC=CO1 HY-Y0949 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.41 CN1N=CC=C1C(=O)O HY-34505 [1,1,0,0,0,0|0,0,2]=4 83 B11R1.3 COC1=CC=C(C(=O)O)C=C1 HY-N1394 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.3 COC1=CC=C(C(=O)O)C=C1 HY-N1394R [0,1,0,0,0,1|2,0,0]=4 85 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 HY-B1258 [0,1,0,0,0,1|2,0,0]=4 86 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 HY-21496 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 HY-W017384 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.21 CC1=CC=C(C(=O)O)C=C1C HY-W017434 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.21 CC1=CC=C(C(=O)O)C=C1O HY-Y0026 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.21 CC1=[N+]([O-])C=C(C(=O)O)N=C1 HY-B0283 [0,1,0,0,0,1|1,0,0]=3 91 B11R1.21 CN1C=C(C(=O)O)C=CC1=O HY-N4226 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.22 COC(=O)C1=CN=C(C)C=C1 HY-76047 [0,1,0,0,0,1|1,0,1]=4 93 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 HY-32778 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.22 COC(=O)C1=NC=C(O)C=C1 HY-W005963 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 HY-78144 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.166 O=C1NC=C(C(=O)O)C(=O)N1 HY-66047 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.74 O=C1C=C(C(=O)O)C=C(O)N1 HY-W025817 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 HY-N0157 [0,1,0,0,0,1|1,0,1]=4 99 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 HY-N0157A [0,1,0,0,0,1|1,0,1]=4 100 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 HY-W016812 [0,1,0,0,0,1|1,0,1]=4 101 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 HY-W012581 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.159 CC1=C(O)C(C(=O)O)=CC=C1 HY-B1399 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=C1 HY-W008213 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 HY-W002036 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.167 CC1=CC(C(=O)O)=C(O)C=C1 HY-78573 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.266 COC1=CC(C(=O)O)=CC=C1 HY-Y0760 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.15 CCOC(=O)C1=NNC(C)=C1 HY-34027 [0,2,0,0,0,0|0,0,0]=2 108 B11R1.473 CCC1=C(C)C(C(=O)O)=NN1 HY-W095200 [0,2,0,0,0,0|0,0,0]=2 109 B11R1.49 CCN1N=C(C)C=C1C(=O)O HY-22365 [0,2,0,0,0,0|0,0,2]=4 110 B9R1.6 O=C(O)C1=CC=CC=N1 HY-I0660 [0,0,1,1,0,0|1,0,1]=4 111 B9R1.6 O=C(O)C1=CC=CC=N1 HY-I0660R [0,0,1,1,0,0|1,0,1]=4 112 B9R1.6 O=C(O)C1=CCCNC1 HY-100809 [0,0,1,1,0,0|1,0,1]=4 113 B9R1.6 O=C(O)C1=CCCNC1 HY-N2482A [0,0,1,1,0,0|1,0,1]=4 114 B9R1.6 O=C(O)C1=NC=CN=C1 HY-76353 [0,0,1,1,0,0|2,0,0]=4 115 B9R1.6 O=C(O)C1=NC=CN=C1 HY-76353R [0,0,1,1,0,0|2,0,0]=4 116 B9R1.2 CC1=CC(C=O)=CC=C1 HY-78086 [1,0,0,0,0,1|2,0,0]=4 117 B9R1.2 O=CC1=CC(Br)=CN=C1 HY-W003037 [1,0,0,0,0,1|2,0,0]=4 118 B9R1.13 O=C(O)CC1=CC=CS1 HY-W001142 [1,0,0,0,0,1|2,0,0]=4 119 B9R1.13 O=C(O)CC1=CSC=C1 HY-W001140 [1,0,0,0,0,1|2,0,0]=4 120 B11R1.157 CC1=CC(CC(=O)O)=CC=C1 HY-W053507 [0,0,0,0,0,2|2,0,0]=4