0 B7R1.4 BrC1=C(NC=N1)Br S802263 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.4 CC1=C(C=NN1)N CBR02396 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.4 CC1=C(N=CN1)Br CDS022318 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.4 CN1C=CN=C1Cl CDS018561 [0,0,0,0,0,0|1,0,1]=2 4 B7R1.4 CN1C=CN=C1I ANV00120 [0,0,0,0,0,0|1,0,1]=2 5 B7R1.4 CN1C=CN=C1I CDS005078 [0,0,0,0,0,0|1,0,1]=2 6 B7R1.4 CN1C=CN=C1N CBR02443 [0,0,0,0,0,0|1,0,1]=2 7 B7R1.4 CN1C=CSC1=N S945749 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.4 CN1CCN=C1N S897663 [0,0,0,0,0,0|1,0,3]=4 9 B7R1.4 CN1CCNC1=O CDS006142 [0,0,0,0,0,0|0,1,2]=3 10 B7R1.4 CN1N=CC=C1Br CBR02073 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.4 CN1N=CN=C1Br CBR01745 [0,0,0,0,0,0|2,0,1]=3 12 B7R1.4 CN1N=CN=C1Cl CBR02194 [0,0,0,0,0,0|2,0,1]=3 13 B7R1.4 CN1N=NN=C1I CBR00176 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.4 CN1N=NN=C1S S240761 [0,0,0,0,0,0|2,0,2]=4 15 B7R1.4 NC1=C(NN=C1)N CBR02117 [0,0,0,0,0,0|4,0,0]=4 16 B6R1.2 BrC1=CC=CO1 CDS020809 [1,0,0,0,0,0|3,0,0]=4 17 B6R1.2 CC1=CC=NN1 CDS002430 [1,0,0,0,0,0|2,0,1]=4 18 B6R1.2 CC1=COC=C1 CDS019631 [1,0,0,0,0,0|2,0,0]=3 19 B6R1.2 CC1=NC=CS1 CDS000301 [1,0,0,0,0,0|2,0,1]=4 20 B6R1.2 CC1=NNC=N1 CDS020176 [1,0,0,0,0,0|3,0,0]=4 21 B6R1.2 ClC1=CNN=C1 CDS019988 [1,0,0,0,0,0|3,0,0]=4 22 B6R1.2 IC1=NNC=C1 BML00254 [1,0,0,0,0,0|3,0,0]=4 23 B6R1.2 N1C=CN=C1N CDS020502 [1,0,0,0,0,0|1,0,1]=3 24 B6R1.2 NC1=CSC=C1 PHB00043 [1,0,0,0,0,0|3,0,0]=4 25 B6R1.2 NC1=NC=CS1 R646520 [1,0,0,0,0,0|2,0,1]=4 26 B6R1.2 NC1=NN=CN1 CDS019982 [1,0,0,0,0,0|2,0,1]=4 27 B6R1.2 NN1C=CC=C1 CDS000078 [1,0,0,0,0,0|2,0,0]=3 28 B6R1.2 O=C1CC=CC1 CDS003851 [1,0,0,0,0,0|2,1,0]=4 29 B6R1.2 O=C1NC=CN1 CBR02030 [1,0,0,0,0,0|0,1,0]=2 30 B6R1.2 S=C1NC=CS1 PH000321 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.11 C(=O)C1=C(C=CN1)Cl T266418 [0,1,0,0,0,0|2,1,0]=4 32 B8R1.11 C=CN1C=CN=C1C S463205 [0,1,0,0,0,0|1,0,2]=4 33 B8R1.11 CC1=C(C=CO1)CN CDS019848 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.11 CC1=C(NC=N1)CN CBR01683 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [0,1,0,0,0,0|2,1,0]=4 36 B8R1.11 CC1=C(SC=C1)CN CDS015230 [0,1,0,0,0,0|3,0,0]=4 37 B8R1.11 CCN1C=CN=C1Br CBR01693 [0,1,0,0,0,0|1,0,1]=3 38 B8R1.11 CCN1C=NN=C1S CDS013450 [0,1,0,0,0,0|1,0,2]=4 39 B8R1.11 CCN1N=CN=C1Br CBR01775 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.11 CCN1N=CN=C1N CBR00782 [0,1,0,0,0,0|2,0,1]=4 41 B8R1.11 CN1C=CN=C1CN CDS002678 [0,1,0,0,0,0|1,0,1]=3 42 B8R1.11 CN1C=CN=C1CO CDS014909 [0,1,0,0,0,0|0,1,1]=3 43 B8R1.11 CN1C=NN=C1CCl CBR02431 [0,1,0,0,0,0|2,0,1]=4 44 B8R1.11 CN1C=NN=C1CO CBR02167 [0,1,0,0,0,0|1,1,1]=4 45 B8R1.11 CN1N=CC=C1CBr CDS023901 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,1,0,0,0,0|1,1,0]=3 47 B8R1.18 CC1=NC(=CN1C)Br CDS007637 [0,1,0,0,0,0|1,0,1]=3 48 B8R1.18 CC1=NC(=NN1C)Br CBR02160 [0,1,0,0,0,0|2,0,1]=4 49 B8R1.18 CC1=NC(=NN1C)Cl CBR02191 [0,1,0,0,0,0|2,0,1]=4 50 B8R1.18 CC1=NN(C(=C1)Br)C PHB00168 [0,1,0,0,0,0|3,0,0]=4 51 B8R1.18 CC1=NN(C(=C1)Cl)C R435937 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.18 CC1=NN(C(=N1)Br)C CBR02189 [0,1,0,0,0,0|2,0,1]=4 53 B8R1.18 CC1=NN(C(=N1)Cl)C CBR02184 [0,1,0,0,0,0|2,0,1]=4 54 B8R1.18 CN1N=C(N=C1N)Cl CBR01692 [0,1,0,0,0,0|2,0,1]=4 55 B8R1.18 CN1N=C(NC1=O)Br CDS021279 [0,1,0,0,0,0|1,1,0]=3 56 B8R1.50 CC1=CC=[N+](N1C)C R461717 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.50 CC1=NNC(=C1C)C CBR00071 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.50 CN1C(=CN=C1I)I SYX00402 [0,1,0,0,0,0|1,0,1]=3 59 B8R1.50 CN1CCN(C1=S)C R366706 [0,1,0,0,0,0|0,0,2]=3 60 B8R1.4 CC1=CC(=O)NC=C1 T162655 [0,0,0,0,0,1|1,1,0]=3 61 B8R1.4 CC1=CC=CC(=C1)N R647047 [0,0,0,0,0,1|3,0,0]=4 62 B8R1.4 CC1=CC=CC(=O)N1 S766364 [0,0,0,0,0,1|2,1,0]=4 63 B8R1.4 CC1=CC=NC(=O)C1 S681601 [0,0,0,0,0,1|1,1,1]=4 64 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [0,0,0,0,0,1|2,0,1]=4 65 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [0,0,0,0,0,1|2,1,0]=4 66 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [0,0,0,0,0,1|2,0,1]=4 67 B8R1.5 CC1=CC=NN=C1Cl PHB00234 [0,0,0,0,0,1|2,0,1]=4 68 B8R1.5 CC1=CN=CC=C1N CDS003217 [0,0,0,0,0,1|3,0,0]=4 69 B8R1.5 CC1=NC=CN=C1Cl CDS013629 [0,0,0,0,0,1|2,0,1]=4 70 B8R1.5 CC1=NC=CN=C1S PH014228 [0,0,0,0,0,1|1,0,2]=4 71 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [0,0,0,0,0,1|2,0,1]=4 72 B8R1.5 C[N+]1=CC=CN=C1N S142433 [0,0,0,0,0,1|1,0,2]=4 73 B8R1.5 O=C1C=CC=CN1[K] T160997 [0,0,0,0,0,1|2,1,0]=4 74 B8R1.5 O=C1NC=CC=C1Cl T161063 [0,0,0,0,0,1|2,1,0]=4 75 B5R0.1 C=COC(=O)C S458201 [1,0,1,0,0,0|1,1,0]=4 76 B5R0.1 CC(=O)/C=C\N S312274 [1,0,1,0,0,0|1,1,0]=4 77 B5R0.3 CNC(=O)NN CDS019843 [1,0,1,0,0,0|1,1,0]=4 78 B5R0.3 CSC(=S)NN PH008635 [1,0,1,0,0,0|2,0,0]=4 79 B5R0.5 CC(=S)N(C)C S622877 [1,0,1,0,0,0|0,0,2]=4 80 B5R0.5 CC(C)C(=S)N PH006913 [1,0,1,0,0,0|1,0,1]=4 81 B7R0.2 CNC(=O)NC(=O)C S411868 [0,1,1,0,0,0|0,1,1]=4 82 B7R0.2 CSC(=S)NC(=S)N PH008773 [0,1,1,0,0,0|2,0,0]=4 83 B7R0.3 CCCNC(=S)NC S512176 [0,1,1,0,0,0|0,0,2]=4 84 B7R1.1 BrCC1=CSC=C1 CDS022029 [1,1,0,0,0,0|2,0,0]=4 85 B7R1.1 CCC1=CNN=C1 CBR01738 [1,1,0,0,0,0|2,0,0]=4 86 B7R1.1 ClCC1=CNC=N1 CBR00821 [1,1,0,0,0,0|2,0,0]=4 87 B7R1.1 N#CN1C=CN=C1 CDS017338 [1,1,0,0,0,0|0,0,2]=4 88 B7R1.1 NCC1=COC=C1 CDS008929 [1,1,0,0,0,0|2,0,0]=4 89 B7R1.1 OCC1=CC=CN1 CDS009556 [1,1,0,0,0,0|1,1,0]=4 90 B7R1.1 OCC1=CNN=C1 CDS015812 [1,1,0,0,0,0|2,0,0]=4 91 B7R1.2 CC1=NC=C(N1)I ANV00066 [1,1,0,0,0,0|1,0,1]=4 92 B7R1.2 CC1=NNC(=C1)N CDS004036 [1,1,0,0,0,0|2,0,0]=4 93 B7R1.2 CN1C=C(C=N1)N CDS019978 [1,1,0,0,0,0|2,0,0]=4 94 B7R1.2 CN1C=CC(=N1)Br SYX00074 [1,1,0,0,0,0|2,0,0]=4 95 B7R1.2 CN1C=CC(=N1)N CDS013782 [1,1,0,0,0,0|2,0,0]=4 96 B7R1.2 CN1C=NC(=N1)Br CBR01814 [1,1,0,0,0,0|1,0,1]=4 97 B7R1.2 CN1C=NC(=N1)Cl CBR02195 [1,1,0,0,0,0|1,0,1]=4 98 B7R1.2 CN1C=NC(=N1)N CBR00751 [1,1,0,0,0,0|1,0,1]=4 99 B7R1.2 N=C1NC(=S)SS1 S64662 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.34 CC1=CC(=NC(=O)N1)C PH000309 [0,1,0,0,0,1|1,1,0]=4 101 B9R1.34 N1C(=S)C=C(NC1=S)C S70662 [0,1,0,0,0,1|1,0,0]=3 102 B9R1.34 N1C(=S)N=C(C=C1C)C S25004 [0,1,0,0,0,1|1,0,0]=3 103 B9R1.34 NC1=CC(=O)NC(=S)N1 OTV000203 [0,1,0,0,0,1|2,0,0]=4 104 B9R1.69 CC1=CNC(=S)NC1=O R427195 [0,1,0,0,0,1|2,0,0]=4 105 B9R1.69 CN1CC(=O)NCC1=O PH008413 [0,1,0,0,0,1|0,1,1]=4 106 B9R1.69 CN1N=C(C=CC1=O)Br CBR00173 [0,1,0,0,0,1|2,0,0]=4 107 B9R1.15 CCN1C=CC=CC1=O S683159 [0,1,0,0,0,1|1,1,0]=4 108 B9R1.14 CCN1C=CN=C1CO CBR00306 [0,2,0,0,0,0|0,1,1]=4 109 B9R1.22 CN1C=C(C=C1C#N)Br CBR01807 [0,2,0,0,0,0|2,0,0]=4 110 B9R1.27 CCN1C(=O)CSC1=S PH009981 [0,2,0,0,0,0|1,0,1]=4 111 B9R1.27 O=C1C=CC(=O)N1CO PH006878 [0,2,0,0,0,0|1,1,0]=4 112 B9R1.33 CC1=NC=CN1CCBr CBR01703 [0,2,0,0,0,0|1,0,1]=4 113 B9R1.33 CC1=NC=CN1CCCl CBR00884 [0,2,0,0,0,0|1,0,1]=4 114 B9R1.33 CC1=NC=CN1CCO CBR00018 [0,2,0,0,0,0|1,0,1]=4 115 B9R1.33 CCCN1CCNC1=S S762059 [0,2,0,0,0,0|0,0,2]=4 116 B9R1.33 CN1C=CC=C1CC#N CBR02122 [0,2,0,0,0,0|2,0,0]=4 117 B9R1.33 CN1C=CC=C1CCN CBR01483 [0,2,0,0,0,0|2,0,0]=4 118 B9R1.33 CN1C=CN=C1CC#N CBR02405 [0,2,0,0,0,0|1,0,1]=4 119 B9R1.33 CN1C=CN=C1CCCl CBR01829 [0,2,0,0,0,0|1,0,1]=4 120 B9R1.33 CN1C=CN=C1CCN CBR02384 [0,2,0,0,0,0|1,0,1]=4 121 B9R1.33 CN1C=CN=C1CCO CDS023208 [0,2,0,0,0,0|0,1,1]=4 122 B9R1.33 N(C)CC1=CC=CN1C T316350 [0,2,0,0,0,0|2,0,0]=4 123 B9R1.33 OCCN1CCNC1=S S372102 [0,2,0,0,0,0|0,0,2]=4 124 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [0,2,0,0,0,0|1,1,0]=4 125 B9R1.41 CN1C=CC=C1C(=O)Cl PH016725 [0,2,0,0,0,0|1,1,0]=4 126 B9R1.41 CN1C=CN=C1C(=O)Cl PH018704 [0,2,0,0,0,0|0,1,1]=4 127 B9R1.41 CN1C=CN=C1C(=O)[O-] CDS003312 [0,2,0,0,0,0|0,1,1]=4 128 B9R1.132 C/N=C/1\SSC(=S)N1C PH005151 [0,2,0,0,0,0|2,0,0]=4 129 B9R1.37 CC1=C(N(C(=O)N1)C)C CBR02435 [0,2,0,0,0,0|0,1,0]=3 130 B9R1.37 CC1=NC(=C(N1C)I)I PH002915 [0,2,0,0,0,0|1,0,1]=4 131 B9R1.37 CC1NC(=O)N(C1=O)C CBR02204 [0,2,0,0,0,0|0,1,1]=4 132 B9R1.37 CC1NC(=S)N(C1=O)C PH002723 [0,2,0,0,0,0|0,0,1]=3 133 B9R1.37 CN1C(=O)NC(=O)C1=O CBR02185 [0,2,0,0,0,0|0,1,0]=3 134 B9R1.37 CN1C(=S)SC(=S)N1C S274046 [0,2,0,0,0,0|2,0,0]=4 135 B9R1.37 CN1CC(=O)N(C1=S)C S986208 [0,2,0,0,0,0|0,0,1]=3