0 B9R1.13 CC(C)CC1=NC=CS1 I5359 [0,0,0,0,0,0|2,1,1]=4 1 B9R1.13 N=C(N)CC1=CC=CS1 T13938 [0,0,0,0,0,0|2,1,0]=3 2 B9R1.13 O=C(Cl)CC1=CC=CS1 T0852 [0,0,0,0,0,0|1,1,0]=2 3 B9R1.13 O=C(O)CC1=CC=CS1 T0647 [0,0,0,0,0,0|1,1,0]=2 4 B9R1.13 O=C(O)CC1=CNC=N1 I7550 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.13 O=C(O)CC1=COC=C1 F15733 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.13 O=C(O)CC1=CSC=C1 T5371 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.13 O=C(O)CC1=CSC=N1 T17624 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.13 O=C(O)CN1C=CN=C1 I7551 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.13 O=C(O)CN1C=CN=C1 I7551 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.13 O=C(O)CN1C=NC=N1 T3689 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.13 O=[N+]([O-])CC1=NC=CN1 N18846 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.8 CCCC1=NC=CN1 P1456 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.8 CCCC1=NC=CN1 P1456 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.8 N#CCC1=CC=CS1 T5379 [1,0,0,0,0,0|1,1,1]=4 15 B8R1.8 NCCC1=CC=CS1 T0651 [1,0,0,0,0,0|1,1,1]=4 16 B8R1.8 OCCC1=CC=CS1 T0443 [1,0,0,0,0,0|0,1,2]=4 17 B10R1.23 NC(C(=O)O)C1=CSC=C1 A17994 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 A12787 [0,1,0,0,0,0|1,1,0]=3 19 B10R1.23 O=C(O)C(=O)C1=CC=CS1 T7418 [0,1,0,0,0,0|1,1,1]=4 20 B10R1.54 CC(=O)NC1=NNC(C)=C1 A13554 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.54 CC1=CC(CC(=O)O)=NN1 M14951 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.54 N=C(N)CC1=CC=C(Br)S1 B15985 [0,1,0,0,0,0|2,1,0]=4 23 B10R1.54 NC(=O)CC1=CSC(N)=N1 A17815 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.54 NC(=O)CC1=NC(O)=CS1 H7462 [0,1,0,0,0,0|2,1,0]=4 25 B10R1.54 NC1=NC(CC(=O)O)=CS1 A4723 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.54 NC1=NC(CC(=O)O)=CS1 A6861 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.54 NC1=NNC(CC(=O)O)=C1 A13746 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.54 NC1=NNC(CC(=O)O)=C1 A13746 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.64 CC(=O)SC1=C(C)OC=C1 M12618 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.64 CC(=O)SC1=C(C)OC=C1 M12618 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.64 CC1=C(CC(=O)O)SC=N1 M2421 [0,1,0,0,0,0|2,1,0]=4 32 B10R1.281 C[Si](C)(C)CC1=CC=CS1 T16682 [0,1,0,0,0,0|1,2,0]=4 33 B10R1.281 C[Si](C)(C)OC1=CC=CO1 T11414 [0,1,0,0,0,0|2,1,0]=4 34 B10R2.2 CC1=NC2=C(C=CS2)S1 M11091 [0,0,0,1,0,0|1,2,0]=4 35 B8R1.7 CC(=O)C1=CC=CN1 A0582 [0,0,0,0,1,0|1,0,0]=2 36 B8R1.7 CC(=O)C1=CC=CO1 A1473 [0,0,0,0,1,0|0,0,0]=1 37 B8R1.7 CC(=O)C1=CC=CS1 A0583 [0,0,0,0,1,0|0,1,0]=2 38 B8R1.7 CC(=O)C1=CNC=C1 P7297 [0,0,0,0,1,0|2,0,0]=3 39 B8R1.7 CC(=O)C1=CNN=C1 A17999 [0,0,0,0,1,0|3,0,0]=4 40 B8R1.7 CC(=O)C1=NC=CS1 A1214 [0,0,0,0,1,0|1,1,0]=3 41 B8R1.7 N=C(N)C1=CC=CO1 F13113 [0,0,0,0,1,0|2,0,0]=3 42 B8R1.7 NC(=O)C1=CNC=N1 I12809 [0,0,0,0,1,0|3,0,0]=4 43 B8R1.7 NC(=O)C1=CNC=N1 I12809 [0,0,0,0,1,0|3,0,0]=4 44 B8R1.7 NC(=O)C1=CSC=N1 T17625 [0,0,0,0,1,0|3,0,0]=4 45 B8R1.7 NC(=O)C1=NC=CS1 T15155 [0,0,0,0,1,0|2,1,0]=4 46 B8R1.7 O=C(Cl)C1=CSC=N1 T17627 [0,0,0,0,1,0|3,0,0]=4 47 B8R1.7 O=C(O)C1=CC=CS1 T4980 [0,0,0,0,1,0|1,1,0]=3 48 B8R1.7 O=C(O)C1=CC=CS1 T4980 [0,0,0,0,1,0|1,1,0]=3 49 B8R1.7 O=C(O)C1=CN=CS1 T17631 [0,0,0,0,1,0|2,1,0]=4 50 B8R1.7 O=C(O)C1=CNC=C1 P7298 [0,0,0,0,1,0|3,0,0]=4 51 B8R1.7 O=C(O)C1=CNC=C1 P7298 [0,0,0,0,1,0|3,0,0]=4 52 B8R1.7 O=C(O)C1=CNC=N1 I11557 [0,0,0,0,1,0|3,0,0]=4 53 B8R1.7 O=C(O)C1=CSC=N1 T11462 [0,0,0,0,1,0|3,0,0]=4 54 B8R1.7 O=C(O)C1=NNC=C1 P4441 [0,0,0,0,1,0|3,0,0]=4 55 B8R1.7 OB(O)C1=CC=CO1 F4005 [0,0,0,0,1,0|2,0,1]=4 56 B10R1.18 CC(=O)NC1=NC=CC=C1 A14929 [0,0,0,0,0,1|2,0,0]=3 57 B10R1.18 CN(C)CC1=CC=CC=C1 D18840 [0,0,0,0,0,1|3,0,0]=4 58 B10R1.18 N=C(N)CC1=CC=CC=C1 P13924 [0,0,0,0,0,1|3,0,0]=4 59 B10R1.18 N=C(N)CC1=CN=CC=C1 P13906 [0,0,0,0,0,1|3,0,0]=4 60 B10R1.18 N=C(N)CC1=NC=CC=C1 P13905 [0,0,0,0,0,1|3,0,0]=4 61 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 C7929 [0,0,0,0,0,1|3,0,0]=4 62 B10R1.18 O=C(O)CC1=CC=CN=C1 P3052 [0,0,0,0,0,1|2,0,0]=3 63 B10R1.18 O=C(O)CC1=CC=NC=C1 P7971 [0,0,0,0,0,1|2,0,0]=3 64 B10R1.18 O=C(O)CC1=NC=CC=C1 P7970 [0,0,0,0,0,1|2,0,0]=3 65 B10R1.18 O=C(O)CC1=NC=CC=N1 P14936 [0,0,0,0,0,1|2,0,0]=3 66 B10R1.66 N=C(N)CCC1=CC=CO1 F16867 [0,0,0,0,0,1|2,0,0]=3 67 B10R1.66 O=C(O)CCC1=NC=CN1 I14885 [0,0,0,0,0,1|3,0,0]=4 68 B7R1.1 C(=O)C1=CSC=C1 T0722 [2,0,0,0,0,0|2,0,0]=4 69 B7R1.1 C(=O)C1=CSC=C1 T0722 [2,0,0,0,0,0|2,0,0]=4 70 B7R1.1 CCC1=NC=CN1 E1455 [2,0,0,0,0,0|2,0,0]=4 71 B7R1.1 NCC1=CC=CO1 F2158 [2,0,0,0,0,0|1,0,0]=3 72 B7R1.1 NCC1=CC=CS1 T3333 [2,0,0,0,0,0|1,1,0]=4 73 B7R1.1 O=CC1=CC=CN1 P4103 [2,0,0,0,0,0|1,0,0]=3 74 B7R1.1 O=CC1=CC=CN1 P4103 [2,0,0,0,0,0|1,0,0]=3 75 B7R1.1 O=CC1=CC=CS1 T1387 [2,0,0,0,0,0|0,1,0]=3 76 B7R1.1 O=CC1=CN=CS1 T17632 [2,0,0,0,0,0|1,1,0]=4 77 B7R1.1 O=CC1=CNC=N1 I2653 [2,0,0,0,0,0|2,0,0]=4 78 B7R1.1 O=CC1=CSC=N1 T17623 [2,0,0,0,0,0|2,0,0]=4 79 B7R1.1 O=CC1=NC=CS1 T17639 [2,0,0,0,0,0|1,1,0]=4 80 B7R1.1 O=CC1=NNC=C1 M3639 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.33 C(=O)CC1=C(C)N=CS1 M2420 [1,1,0,0,0,0|1,1,0]=4 82 B9R1.35 CC(=O)C1=CC=C(Br)S1 A3938 [0,1,0,0,1,0|0,1,0]=3 83 B9R1.35 CC(=O)C1=CNC(C)=N1 A12830 [0,1,0,0,1,0|2,0,0]=4 84 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 B9426 [0,1,0,0,1,0|1,0,0]=3 85 B9R1.35 O=C(O)C1=CC(Br)=CN1 B15071 [0,1,0,0,1,0|2,0,0]=4 86 B9R1.35 O=C(O)C1=CC(Br)=CS1 B18451 [0,1,0,0,1,0|1,1,0]=4 87 B9R1.35 O=C(O)C1=CC=C(Br)O1 B8631 [0,1,0,0,1,0|1,0,0]=3 88 B9R1.35 O=C(O)C1=CC=C(Br)S1 B9313 [0,1,0,0,1,0|1,1,0]=4 89 B9R1.41 CC1=C(C(=N)N)OC=C1 M16880 [0,1,0,0,1,0|2,0,0]=4 90 B9R1.41 CC1=C(C(=O)O)SC=C1 M0715 [0,1,0,0,1,0|1,1,0]=4 91 B9R1.41 CN1C=CC=C1C(=O)O M16979 [0,1,0,0,1,0|2,0,0]=4 92 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 C8239 [0,1,0,0,1,0|1,1,0]=4 93 B9R1.41 O=C(O)C1=C(Br)C=CS1 B9312 [0,1,0,0,1,0|1,1,0]=4 94 B9R1.41 O=C(O)C1=C(Br)C=CS1 B9312 [0,1,0,0,1,0|1,1,0]=4 95 B9R1.41 O=C(O)C1=C(Cl)C=CS1 C7552 [0,1,0,0,1,0|1,1,0]=4 96 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 A1579 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 A1916 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 A3877 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.20 CC(=O)NC1=NC=C(I)C=C1 I17180 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 T2230 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 A0970 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 B10452 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 F7924 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B1332 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B1332 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 C11770 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 F0757 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 H4994 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 P18879 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.36 NC(C(=O)O)C1=CC=NC=C1 A14115 [0,1,0,0,0,1|2,0,0]=4 111 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 A15477 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.36 N[C@@H](C(=O)O)C1=CCC=CC1 D0215 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 P6188 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 P6912 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 P6912 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M5987 [0,1,0,0,0,1|2,0,0]=4 117 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M5987 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 M0801 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 M17930 [0,1,0,0,0,1|1,0,1]=4 120 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C7816 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.86 CC(=O)NC1=NC=CC=C1Br B15307 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.86 CC(=O)NC1=NC=CC=C1O A15061 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.86 CC(=O)NC1=[N+]([O-])C=CC=C1 O17203 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.86 CC(=O)OC1=C(Cl)C=CC=C1 C7844 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.86 CC1=CC=CC=C1CC(=O)O T4259 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 B3813 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 C7842 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 H1271 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.86 O=C(O)CC1=CC=CC=C1F F1336 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 A1578 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 A0689 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.157 CC(=O)NC1=NC(=O)NC=C1 A7174 [0,1,0,0,0,1|2,0,0]=4 133 B11R1.157 CC(=O)NC1=NC(Br)=CC=C1 B15302 [0,1,0,0,0,1|2,0,0]=4 134 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 A5096 [0,1,0,0,0,1|2,0,0]=4 135 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 B3814 [0,1,0,0,0,1|2,0,0]=4 136 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 C0700 [0,1,0,0,0,1|2,0,0]=4 137 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 F1337 [0,1,0,0,0,1|2,0,0]=4 138 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 F1337 [0,1,0,0,0,1|2,0,0]=4 139 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 B7832 [0,1,0,0,0,1|2,0,0]=4 140 B11R1.77 NC(CC(=O)O)C1=CC=CO1 A0129 [0,1,0,0,0,1|1,0,0]=3 141 B11R1.31 COC(=O)C(N)C1=CC=CO1 A15491 [0,2,0,0,0,0|0,0,0]=2 142 B11R1.31 COC(=O)[C@H](N)C1=CC=CO1 A15492 [0,2,0,0,0,0|0,0,0]=2 143 B9R1.6 CC(=O)C1=CN=CC=C1 P2763 [0,0,1,1,0,0|1,0,1]=4 144 B9R1.6 CC(=O)C1=NC=CC=C1 A1164 [0,0,1,1,0,0|1,0,1]=4 145 B11R2.10 O=C1CC2=C(C=CC=C2)N1 O2191 [0,0,0,1,0,1|2,0,0]=4 146 B11R2.10 O=C1CC2=CN=CC=C2N1 A12570 [0,0,0,1,0,1|2,0,0]=4 147 B9R1.8 CNCC1=CC=CC=C1 C12471 [1,0,0,0,0,1|2,0,0]=4 148 B9R1.8 CNCC1=CN=CC=C1 M13405 [1,0,0,0,0,1|2,0,0]=4 149 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 P10067 [0,0,0,0,0,2|2,0,0]=4 150 B11R1.91 O=C(O)CCC1=CC=CC=C1 P11665 [0,0,0,0,0,2|2,0,0]=4 151 B11R1.91 O=C(O)CCC1=NC=CC=C1 P14084 [0,0,0,0,0,2|2,0,0]=4 152 B11R1.91 O=C(O)CCC1=NC=CC=N1 P14965 [0,0,0,0,0,2|2,0,0]=4 153 B11R1.91 O=C(O)CNC1=CC=CC=C1 P17764 [0,0,0,0,0,2|2,0,0]=4 154 B11R1.91 O=C(O)CSC1=CC=CC=C1 T3907 [0,0,0,0,0,2|2,0,0]=4 155 B11R1.91 O=C(O)CSC1=CC=NC=C1 P3183 [0,0,0,0,0,2|2,0,0]=4 156 B11R1.91 O=C(O)CSC1=NC=CC=N1 P7830 [0,0,0,0,0,2|2,0,0]=4