0 B9R1.41 CC(=O)C1=C(CCC1)C R426032 [0,0,0,0,0,0|1,0,3]=4 1 B9R1.41 CC(=O)C1=C(NN=C1)C CBR01622 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.41 CC(=O)C1=CNC=C1C L164399 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.41 CC(N)C1=NC=NN1C CBR01606 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.41 CC(N)C1=NN=CN1C CBR02351 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.41 CC1=C(C=CN1)C(=O)O CBR01791 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.41 CC1=C(C=CS1)C(=O)O PH005181 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.41 CC1=C(C=NO1)C(=O)Cl SYX00343 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.41 CC1=C(N=CS1)C(=O)O CDS007674 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.41 CC1=C(NC=N1)C(=O)O CDS007137 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.41 CC1=C(ON=C1)C(=O)O CDS012084 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.41 CC1=C(SC=C1)[N+](=O)[O-] PH003225 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.41 CC1=NSC=C1C(=O)O CVT00118 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.41 CN1C=CC=C1C(=O)Cl PH016725 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.41 CN1C=CN=C1C(=O)Cl PH018704 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.41 CN1C=CN=C1C(=O)[O-] CDS003312 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.41 NC(=O)C1=C(SC=C1)N CDS007582 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.41 O=C(Cl)C1=C(C=CS1)Br PH010582 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.41 O=C(Cl)C1=C(C=CS1)Cl CDS013694 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.41 O=C(O)C1=C(C=CN1)Cl T266515 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.41 O=C(O)C1=C(OC=C1)Cl PH008831 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [1,0,0,0,0,0|2,0,0]=3 24 B8R1.7 CC(=O)C1=NC=CN1 CBR02095 [1,0,0,0,0,0|1,0,0]=2 25 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [1,0,0,0,0,0|1,0,0]=2 29 B8R1.7 NC(=O)C1=CN=CS1 CDS020516 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.7 NC(=O)C1=CSC=N1 CDS006757 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.7 NC(=S)C1=CC=CN1 BOG00082 [1,0,0,0,0,0|1,1,0]=3 32 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [1,0,0,0,0,0|2,1,0]=4 33 B8R1.7 NC(=S)C1=CC=CS1 CDS014286 [1,0,0,0,0,0|2,1,0]=4 34 B8R1.7 O=C(O)C1=CC=CO1 S927228 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.7 O=C(O)C1=CC=NN1 CDS005690 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.7 O=C(O)C1=CC=NS1 CDS010046 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.7 O=C(O)C1=CN=CS1 CDS007958 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.7 O=C(O)C1=CN=NN1 CDS001736 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.7 O=C(O)C1=NC=CN1 CDS019334 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.11 C(=O)C1=C(C=CN1)Cl T266418 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.11 CN1C=CN=C1CN CDS002678 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.11 CN1C=CN=C1CO CDS014909 [1,0,0,0,0,0|1,0,2]=4 44 B8R1.11 CN1N=CC=C1CBr CDS023901 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.11 O=CC1=C(C=CO1)Br CDS004540 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.11 O=CC1=C(SC=C1)Br CDS015492 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.39 CCC1=CNC=C1C(=O)C L164054 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.39 CCN1C=CC=C1C(=O)C CDS003863 [0,1,0,0,0,0|0,0,0]=1 49 B10R1.39 COC1=C(OC=C1)C(=O)C T285056 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.39 COC1=C(OC=C1)C(=O)O T284718 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.39 COC1=CSC=C1C(=O)O CDS015143 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.59 CC(=O)C1=C(C=C(N1)C)C PH014632 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.59 CC(=O)C1=C(N=C(S1)N)C S64638 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.59 CC(=O)C1=C(N=C(S1)N)C S948659 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.59 CC1=CC(=C(N1)C)C(=O)O PH010596 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.59 CC1=CC(=C(O1)C(=O)O)C PH014459 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.59 CC1=CC(=C(O1)C)C(=O)N S825395 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.149 CC1=C(C=CO1)C(=O)NN CDS005915 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.149 CCC(=O)C1=CC=NN1C CBR01985 [0,1,0,0,0,0|1,0,0]=2 60 B10R1.149 CCC(=O)C1=NC=NN1C CBR01363 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.149 CCC(N)C1=CC=NN1C CBR00298 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.149 CN1C=CC=C1/C(=N/O)/N CBR01624 [0,1,0,0,0,0|1,0,1]=3 63 B10R1.149 CN1C=CC=C1C(=O)NN CDS015065 [0,1,0,0,0,0|1,0,0]=2 64 B10R1.149 COC(=O)C1=C(SC=N1)C SYX00155 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.149 COC(=O)C1=COC=C1C T208701 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.149 COC(=O)C1=NNC=C1C S940550 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.149 O=C(CBr)C1=C(C=CS1)Cl CDS014953 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.192 CC1=CNC(=C1C(=O)O)C CDS005420 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.192 CN1N=CC(=C1C(=O)O)Br R432725 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.192 CN1N=CC(=C1C(=O)O)Cl L119539 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.192 CN1N=CC(=C1C(=O)O)I R432733 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.194 CC1=CC=C(N1C)C(=N)N PH017356 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.194 CC1=CC=C(N1C)C(=O)O CBR01594 [0,1,0,0,0,0|1,0,0]=2 74 B10R2.32 O=C1CCC2N1C=CC2 PH015928 [0,0,0,1,0,0|2,0,1]=4 75 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,0,0,0,0,1|3,0,0]=4 76 B10R1.61 CC(=O)C1=NC=CN=C1Cl PHB00229 [0,0,0,0,0,1|3,0,0]=4 77 B10R1.61 CC(O)C1=CC=CC=[N+]1C S236144 [0,0,0,0,0,1|0,0,3]=4 78 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [0,0,0,0,0,1|2,1,0]=4 79 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [0,0,0,0,0,1|2,0,0]=3 80 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [0,0,0,0,0,1|2,0,0]=3 81 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [0,0,0,0,0,1|3,0,0]=4 82 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [0,0,0,0,0,1|2,0,1]=4 83 B10R1.61 CC1=CC=CN=C1C(C)N CBR00418 [0,0,0,0,0,1|2,0,1]=4 84 B10R1.61 CC1=NC=NC=C1C(=O)O CBR00009 [0,0,0,0,0,1|3,0,0]=4 85 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [0,0,0,0,0,1|3,0,0]=4 86 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [0,0,0,0,0,1|3,0,0]=4 87 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [0,0,0,0,0,1|3,0,0]=4 88 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [0,0,0,0,0,1|3,0,0]=4 89 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [0,0,0,0,0,1|3,0,0]=4 90 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [0,0,0,0,0,1|3,0,0]=4 91 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [0,0,0,0,0,1|3,0,0]=4 92 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [0,0,0,0,0,1|3,0,0]=4 93 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [0,0,0,0,0,1|2,0,1]=4 94 B10R1.64 CN1C=NC=C1CC(=O)O CDS024600 [0,0,0,0,0,1|2,0,0]=3 95 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [0,0,0,0,0,1|2,0,0]=3 96 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [0,0,0,0,0,1|1,0,0]=2 97 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [0,0,0,0,0,1|0,0,1]=2 98 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [0,0,0,0,0,1|2,0,1]=4 99 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [0,0,0,0,0,1|2,0,1]=4 100 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [0,0,0,0,0,1|2,1,0]=4 101 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [0,0,0,0,0,1|3,0,0]=4 102 B10R1.113 CC1=NC(=CC=C1)C(=S)N S353418 [0,0,0,0,0,1|2,1,0]=4 103 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [0,0,0,0,0,1|3,0,0]=4 104 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [0,0,0,0,0,1|1,0,1]=3 105 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [0,0,0,0,0,1|1,0,1]=3 106 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [0,0,0,0,0,1|1,0,1]=3 107 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [0,0,0,0,0,1|3,0,0]=4 108 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [0,0,0,0,0,1|3,0,0]=4 109 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [0,0,0,0,0,1|3,0,0]=4 110 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [0,0,0,0,0,1|3,0,0]=4 111 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [0,0,0,0,0,1|3,0,0]=4 112 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [0,0,0,0,0,1|3,0,0]=4 113 B7R0.2 C=CC(C)OC(=O)C S413755 [1,0,1,0,0,0|2,0,0]=4 114 B7R0.4 C/C=C/C=C\C(C)O T211419 [1,0,1,0,0,0|0,0,2]=4 115 B7R0.4 CCC/C=C/C(=O)C CDS001219 [1,0,1,0,0,0|0,0,2]=4 116 B7R1.1 CSC1=CC=CS1 R436550 [2,0,0,0,0,0|2,0,0]=4 117 B7R1.1 O=CC1=CC=NN1 CDS003145 [2,0,0,0,0,0|1,0,0]=3 118 B7R1.1 O=CC1=NNC=C1 CDS009918 [2,0,0,0,0,0|1,0,1]=4 119 B7R1.1 O=CC1=NOC=C1 CDS009683 [2,0,0,0,0,0|1,0,1]=4 120 B7R1.1 OCC1=CC=CN1 CDS009556 [2,0,0,0,0,0|0,0,2]=4 121 B7R1.4 CN1C=CN=C1Cl CDS018561 [2,0,0,0,0,0|2,0,0]=4 122 B7R1.4 CN1C=CN=C1I ANV00120 [2,0,0,0,0,0|2,0,0]=4 123 B7R1.4 CN1C=CN=C1I CDS005078 [2,0,0,0,0,0|2,0,0]=4 124 B7R1.4 CN1C=CN=C1N CBR02443 [2,0,0,0,0,0|2,0,0]=4 125 B7R1.4 CN1C=CSC1=N S945749 [2,0,0,0,0,0|2,0,0]=4 126 B7R1.4 CN1N=CC=C1Br CBR02073 [2,0,0,0,0,0|2,0,0]=4 127 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [0,1,1,0,0,0|2,0,0]=4 128 B9R0.46 C/C=C/C/C=C/C(=O)OC S765929 [0,1,1,0,0,0|1,0,1]=4 129 B9R1.11 C/C(=N/O)/C1=CC=CO1 S602906 [1,1,0,0,0,0|1,0,1]=4 130 B9R1.11 C/C(=N\N)/C1=CC=CS1 L164542 [1,1,0,0,0,0|2,0,0]=4 131 B9R1.11 C/C(=N\O)/C1=CC=CN1 L166960 [1,1,0,0,0,0|0,0,1]=3 132 B9R1.11 CCC(=O)C1=CC=CN1 CDS000726 [1,1,0,0,0,0|0,0,0]=2 133 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [1,1,0,0,0,0|1,0,0]=3 134 B9R1.11 COC(=O)C1=NNC=C1 CDS009495 [1,1,0,0,0,0|1,0,1]=4 135 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [1,1,0,0,0,0|1,0,0]=3 136 B9R1.35 CC(=O)C1=CN=C(O1)N CBR01750 [1,1,0,0,0,0|2,0,0]=4 137 B9R1.35 CC(=O)C1=CNC(=N1)C PH000026 [1,1,0,0,0,0|1,0,1]=4 138 B9R1.35 CC(=O)C1=CSC(=C1)Cl PHB00060 [1,1,0,0,0,0|2,0,0]=4 139 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [1,1,0,0,0,0|2,0,0]=4 140 B9R1.35 CC1=CNC(=N1)C(=O)O CBR02470 [1,1,0,0,0,0|2,0,0]=4 141 B9R1.35 NC(=O)C1=CC=C(S1)Br CBR00204 [1,1,0,0,0,0|2,0,0]=4 142 B9R1.35 NC1=CSC(=C1)C(=O)O CDS010170 [1,1,0,0,0,0|2,0,0]=4 143 B9R1.35 O=C(Cl)C1=CC(=CS1)Br CDS013861 [1,1,0,0,0,0|2,0,0]=4 144 B9R1.35 O=C(O)C1=CC=C(O1)Cl CDS012743 [1,1,0,0,0,0|2,0,0]=4 145 B9R1.35 O=C1NC=C(N1)C(=O)O CBR00002 [1,1,0,0,0,0|2,0,0]=4 146 B9R1.14 C(=O)C1=CN=CN1CC CBR00006 [1,1,0,0,0,0|1,0,0]=3 147 B9R1.14 C(=O)C1=NC=NN1CC CBR00310 [1,1,0,0,0,0|2,0,0]=4 148 B9R1.22 C(=O)C1=C(NC(=C1)C)C CDS008742 [1,1,0,0,0,0|2,0,0]=4 149 B9R1.22 CC1=NN(C(=C1)C=O)C TMT00498 [1,1,0,0,0,0|1,0,0]=3 150 B9R1.22 CN1C=C(C=C1C#N)Br CBR01807 [1,1,0,0,0,0|1,0,1]=4 151 B9R1.27 CC1=C(N(N=C1)C)C=O CBR01828 [1,1,0,0,0,0|1,0,0]=3 152 B9R1.33 CN1C=CC=C1CC#N CBR02122 [1,1,0,0,0,0|0,0,2]=4 153 B9R1.33 CN1C=CC=C1CCN CBR01483 [1,1,0,0,0,0|0,0,1]=3 154 B9R1.33 CN1C=CN=C1CCCl CBR01829 [1,1,0,0,0,0|1,0,1]=4 155 B9R1.33 CN1C=CN=C1CCN CBR02384 [1,1,0,0,0,0|1,0,1]=4 156 B9R1.33 CN1C=CN=C1CCO CDS023208 [1,1,0,0,0,0|1,0,1]=4 157 B9R1.33 CNCC1=CC=NN1C CDS014702 [1,1,0,0,0,0|1,0,1]=4 158 B9R1.33 N(C)CC1=CC=CN1C T316350 [1,1,0,0,0,0|0,0,1]=3 159 B11R1.53 CC(=O)C1=C(C=CC=C1)C#N CDS017334 [0,1,0,0,0,1|1,0,1]=4 160 B11R1.53 CNC1=C(C=CC=C1)C(=O)N CDS003164 [0,1,0,0,0,1|2,0,0]=4 161 B11R1.53 CNC1=C(C=CC=C1)C(=O)O PH010971 [0,1,0,0,0,1|2,0,0]=4 162 B11R1.53 CNC1=CC=CC=C1C(=O)O R462381 [0,1,0,0,0,1|2,0,0]=4 163 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [0,1,0,0,0,1|2,0,0]=4 164 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [0,1,0,0,0,1|2,0,0]=4 165 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)C PH003545 [0,1,0,0,0,1|2,0,0]=4 166 B11R1.156 CC(=O)C1=C(C=CC=C1C)C PH014537 [0,1,0,0,0,1|1,0,0]=3 167 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CDS003590 [0,1,0,0,0,1|2,0,0]=4 168 B11R1.156 CC1=CC=CC(=C1C(=O)O)Cl CDS000889 [0,1,0,0,0,1|2,0,0]=4 169 B11R1.156 CC1=CC=CC(=C1C(=O)O)F CDS007502 [0,1,0,0,0,1|2,0,0]=4 170 B11R1.156 CC1=CC=NC(=C1C(=O)O)Cl CDS023531 [0,1,0,0,0,1|2,0,0]=4 171 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [0,1,0,0,0,1|2,0,0]=4 172 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [0,1,0,0,0,1|2,0,0]=4 173 B11R1.159 CC1=C(C=CC=C1C(=O)O)O PH005167 [0,1,0,0,0,1|2,0,0]=4 174 B11R1.159 CC1=C(C=CC=C1N)C(=O)N TMT00436 [0,1,0,0,0,1|2,0,0]=4 175 B11R1.159 CC1=CC=CC(=C1C)C(=O)Cl CDS001566 [0,1,0,0,0,1|2,0,0]=4 176 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [0,1,0,0,0,1|2,0,0]=4 177 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [0,1,0,0,0,1|2,0,0]=4 178 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [0,1,0,0,0,1|2,0,0]=4 179 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,1,0,0,0,1|2,0,0]=4 180 B11R1.166 CC(=O)C1=NC=C(C=C1F)Br ADE000139 [0,1,0,0,0,1|2,0,0]=4 181 B11R1.166 CC1=C(C=C[N+](=C1)[O-])C(=O)O T161675 [0,1,0,0,0,1|2,0,0]=4 182 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)C CDS011445 [0,1,0,0,0,1|2,0,0]=4 183 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br CDS022505 [0,1,0,0,0,1|2,0,0]=4 184 B11R1.166 CC1=CC=C(C(=N1)C)C(=O)O CDS013247 [0,1,0,0,0,1|2,0,0]=4 185 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [0,1,0,0,0,1|2,0,0]=4 186 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)Br ADE000790 [0,1,0,0,0,1|2,0,0]=4 187 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)C ADE000737 [0,1,0,0,0,1|2,0,0]=4 188 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)F ADE000775 [0,1,0,0,0,1|2,0,0]=4 189 B11R1.167 CC(=O)C1=CC(=CN=C1F)Br PHB00150 [0,1,0,0,0,1|2,0,0]=4 190 B11R1.167 CC1=CC=C(N=C1C(=O)O)Cl ADE001383 [0,1,0,0,0,1|2,0,0]=4 191 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [0,1,0,0,0,1|2,0,0]=4 192 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [0,1,0,0,0,1|2,0,0]=4 193 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [0,1,0,0,0,1|2,0,0]=4 194 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [0,1,0,0,0,1|1,0,0]=3 195 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [0,1,0,0,0,1|2,0,0]=4 196 B11R1.222 CNC(=O)C1=CC=CN=C1Cl VBP00050 [0,1,0,0,0,1|2,0,0]=4 197 B11R1.222 COC(=O)C1=C(C=NC=C1)O KOB0086 [0,1,0,0,0,1|2,0,0]=4 198 B11R1.222 COC(=O)C1=C(C=NN=C1)C PHB00238 [0,1,0,0,0,1|2,0,0]=4 199 B11R1.222 COC(=O)C1=CC=NC=C1N ANV00027 [0,1,0,0,0,1|2,0,0]=4 200 B11R1.222 COC(=O)C1=CN=CC=C1N PHB00050 [0,1,0,0,0,1|2,0,0]=4 201 B11R1.222 COC(=O)C1=NC=CC=C1O CDS005462 [0,1,0,0,0,1|2,0,0]=4 202 B11R1.313 CC(=O)/N=C\1/SC=C(N1C)C S815462 [0,1,0,0,0,1|1,0,0]=3 203 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [0,1,0,0,0,1|2,0,0]=4 204 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [0,1,0,0,0,1|2,0,0]=4 205 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [0,1,0,0,0,1|2,0,0]=4 206 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [0,1,0,0,0,1|2,0,0]=4 207 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [0,1,0,0,0,1|2,0,0]=4 208 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [0,1,0,0,0,1|2,0,0]=4 209 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [0,1,0,0,0,1|2,0,0]=4 210 B11R1.21 CN1N=C(C=CC1=O)C(=O)O CBR00032 [0,1,0,0,0,1|1,0,0]=3 211 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PH011383 [0,1,0,0,0,1|2,0,0]=4 212 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [0,1,0,0,0,1|1,0,0]=3 213 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [0,1,0,0,0,1|2,0,0]=4 214 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [0,1,0,0,0,1|2,0,0]=4 215 B11R1.23 CNC(=O)C1=CC(=CC=C1)N CDS003178 [0,1,0,0,0,1|2,0,0]=4 216 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [0,1,0,0,0,1|2,0,0]=4 217 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [0,1,0,0,0,1|1,0,0]=3 218 B11R1.23 CNC(=O)C1=CC=CC(=C1)Cl PH011022 [0,1,0,0,0,1|2,0,0]=4 219 B11R1.23 COC(=O)C1=CC=CC(=C1)F CDS020886 [0,1,0,0,0,1|2,0,0]=4 220 B11R1.23 COC(=O)C1=CC=CC(=N1)N CDS005987 [0,1,0,0,0,1|2,0,0]=4 221 B11R1.23 COC(=O)C1=CN=CC(=C1)C PH016250 [0,1,0,0,0,1|2,0,0]=4 222 B11R1.23 COC(=O)C1=C[N+](=CC=C1)C S385360 [0,1,0,0,0,1|0,0,1]=3 223 B11R1.23 COC(=O)C1=NC(=CC=C1)I ADE000338 [0,1,0,0,0,1|2,0,0]=4 224 B11R1.23 COC(=O)[N+]1=CC(=CC=C1)C R434086 [0,1,0,0,0,1|2,0,0]=4 225 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CDS000426 [0,1,0,0,0,1|2,0,0]=4 226 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)Br S17907 [0,1,0,0,0,1|2,0,0]=4 227 B11R1.74 CC1=CC(=O)C=C(N1)C(=O)O CBR02144 [0,1,0,0,0,1|2,0,0]=4 228 B11R1.74 CC1=CC(=O)C=C(O1)C(=O)O CBR01516 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.266 COC1=CC=CC(=N1)C(=O)N ADE000351 [0,1,0,0,0,1|2,0,0]=4 230 B11R1.266 COC1=CN=CC(=C1)C(=O)C ADE000464 [0,1,0,0,0,1|2,0,0]=4 231 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr OTV000175 [0,1,0,0,0,1|2,0,0]=4 232 B11R1.59 COC(=O)C1=C(C=CO1)OC T266485 [0,2,0,0,0,0|2,0,0]=4 233 B11R1.59 COC(=O)C1=C(OC=C1)CBr PH014446 [0,2,0,0,0,0|2,0,0]=4 234 B11R1.59 COC(=O)C1=C(OC=C1)CN PH017711 [0,2,0,0,0,0|2,0,0]=4 235 B11R1.178 CC(=O)C1=CNC=C1C(=O)C L165220 [0,2,0,0,0,0|2,0,0]=4 236 B11R1.471 CCN1N=CC(=C1C(=O)O)Cl L119725 [0,2,0,0,0,0|2,0,0]=4 237 B11R1.225 CC1=NN(C(=C1)C(=O)NN)C JRD0063 [0,2,0,0,0,0|2,0,0]=4 238 B11R1.225 COC(=O)C1=CC(=CN1C)Br ANV00082 [0,2,0,0,0,0|0,0,0]=2 239 B11R1.225 COC(=O)C1=CC(=CN1C)N ANV00044 [0,2,0,0,0,0|0,0,0]=2 240 B11R1.225 COC(=O)C1=CC(=O)NN1C PH014316 [0,2,0,0,0,0|1,0,0]=3 241 B11R1.673 CC(=O)C1=C(NC(=C1C)C)C PH008921 [0,2,0,0,0,0|2,0,0]=4 242 B11R1.199 CCCC(=O)C1=C(C=CS1)C S593311 [0,2,0,0,0,0|2,0,0]=4 243 B11R1.199 COCC(=O)C1=CC=NN1C CBR01333 [0,2,0,0,0,0|1,0,0]=3 244 B11R1.199 N1C=CC(=C1C)C(=O)OCC S941077 [0,2,0,0,0,0|2,0,0]=4 245 B11R1.865 COC(=O)C1=CC=C(N1C)N CDS021001 [0,2,0,0,0,0|0,0,0]=2 246 B11R1.865 COC(=O)C1=CN=C(N1C)S PH003647 [0,2,0,0,0,0|1,0,0]=3 247 B11R1.865 COC(=O)C1=NN=C(N1C)S PH016466 [0,2,0,0,0,0|2,0,0]=4 248 B11R1.875 COC(=O)C1=C(SC=C1C)N R786993 [0,2,0,0,0,0|2,0,0]=4 249 B9R1.13 CC(=O)CN1C=CC=N1 CBR00875 [0,0,1,1,0,0|1,0,1]=4 250 B9R1.2 CCC1=NC(=CC=C1)C S580031 [0,0,1,1,0,0|2,0,0]=4 251 B9R1.2 CNC1=CC(=CC=C1)N S604097 [0,0,1,1,0,0|1,0,1]=4 252 B9R1.50 O=C1C=CC=CC=CC1 T179078 [0,0,1,1,0,0|1,0,1]=4 253 B9R1.15 CC1=C(C=CC=C1)NN R580260 [0,0,1,1,0,0|2,0,0]=4 254 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [0,0,1,1,0,0|1,0,1]=4 255 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,0,0,1,0,1|2,0,0]=4 256 B11R2.106 CC1NCCN2C1=CC=C2 CBR01041 [0,1,0,1,0,0|1,0,1]=4 257 B11R2.106 CC1NCCN2C1=CC=C2 CDS012737 [0,1,0,1,0,0|1,0,1]=4 258 B11R2.106 O=C1NC=CN2C1=CC=C2 SYX00423 [0,1,0,1,0,0|0,0,2]=4 259 B11R2.106 O=C1NCCC2=C1C=CN2 PH003760 [0,1,0,1,0,0|2,0,0]=4 260 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [0,0,0,0,0,2|1,0,0]=3 261 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,0,0,0,0,2|2,0,0]=4 262 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [0,0,0,0,0,2|0,0,1]=3 263 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [0,0,0,0,0,2|2,0,0]=4 264 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,0,0,0,0,2|1,0,0]=3 265 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [0,0,0,0,0,2|2,0,0]=4 266 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [0,0,0,0,0,2|2,0,0]=4 267 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [0,0,0,0,0,2|2,0,0]=4 268 B11R1.86 CC(=O)NC1=NC=CC=C1Cl T300071 [0,0,0,0,0,2|2,0,0]=4 269 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [0,0,0,0,0,2|2,0,0]=4 270 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,0,0,0,0,2|2,0,0]=4 271 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [0,0,0,0,0,2|2,0,0]=4 272 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [0,0,0,0,0,2|2,0,0]=4 273 B11R1.90 CN1C=CC=C1/C=C/C(=O)O CDS022227 [0,0,0,0,0,2|1,0,0]=3 274 B11R1.90 CN1C=CN=C1SCC(=O)O CDS006858 [0,0,0,0,0,2|2,0,0]=4 275 B11R1.90 CN1N=CC=C1/C=C/C(=O)O CDS022768 [0,0,0,0,0,2|2,0,0]=4 276 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,0,0,0,0,2|1,0,0]=3 277 B11R1.157 CC(=O)CC1=CC=CC(=N1)C CBR00392 [0,0,0,0,0,2|1,0,0]=3 278 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [0,0,0,0,0,2|2,0,0]=4 279 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [0,0,0,0,0,2|2,0,0]=4 280 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [0,0,0,0,0,2|2,0,0]=4 281 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [0,0,0,0,0,2|2,0,0]=4 282 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [0,0,0,0,0,2|1,0,0]=3 283 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [0,0,0,0,0,2|2,0,0]=4