0 B9R1.23 CC1=C(C)NC(C=O)=N1 MC427115 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.23 CC1=C(C)SC(C#N)=N1 MC115733 [0,0,0,0,0,0|1,1,1]=3 2 B9R1.23 CC1=C(C)SC(NN)=N1 MC431528 [0,0,0,0,0,0|2,1,0]=3 3 B9R1.23 CC1=CC(CO)=NN1C MC429810 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.23 CN1N=C(CO)C=C1Br MC429813 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.1 BrCC1=NC(Br)=NO1 MC115168 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.1 CC1=CC(CO)=NN1 CS17779 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.1 CC1=CN=C(C=O)S1 MC425517 [1,0,0,0,0,0|1,1,1]=4 8 B8R1.1 CC1=CNC(C#N)=N1 CS17142 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.1 CC1=COC(C=O)=C1 MC104341 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.1 CC1=COC(C=O)=N1 MC104070 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.1 CC1=COC(CN)=C1 MC105034 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.1 CC1=CSC(C#N)=N1 MC425479 [1,0,0,0,0,0|1,1,1]=4 13 B8R1.1 CC1=CSC(C=O)=N1 MC431095 [1,0,0,0,0,0|1,1,1]=4 14 B8R1.1 CC1=NC(CCl)=CS1 MC442177 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.1 CC1=NC(CN)=CN1 MC107345 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.1 CC1=NC(CO)=CS1 MC430697 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.1 CC1=NN=C(CO)S1 MC107561 [1,0,0,0,0,0|2,1,0]=4 18 B8R1.1 CCC1=NNC(N)=C1 CS18101 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.1 CCN1C=C(N)C=N1 MC21175 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.1 CN1C=NC(CN)=C1 MC103434 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.1 CN1C=NC(CN)=C1 MC444306 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.1 CN1C=NC(CO)=C1 CS18049 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.1 CN1C=NC(CO)=N1 CS14509 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.1 CNC1=NC(N)=CS1 MC102822 [1,0,0,0,0,0|2,1,0]=4 25 B8R1.1 COC1=NN=C(C)S1 MC107310 [1,0,0,0,0,0|2,1,0]=4 26 B8R1.1 NCC1=CC=C(Br)O1 MC432586 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.1 NCC1=NC=C(Br)S1 MC103526 [1,0,0,0,0,0|2,1,0]=4 28 B8R1.1 NCC1=NC=C(Br)S1 MC104137 [1,0,0,0,0,0|2,1,0]=4 29 B8R1.1 NCC1=NC=C(Cl)S1 MC104486 [1,0,0,0,0,0|2,1,0]=4 30 B8R1.1 OCC1=CC=C(Br)O1 CS15423 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.1 OCC1=NC(Br)=CS1 MC103530 [1,0,0,0,0,0|2,1,0]=4 32 B8R1.18 CC1=C(Br)N=C(Br)S1 MC442181 [1,0,0,0,0,0|2,1,0]=4 33 B8R1.18 CC1=C(Br)NC(Br)=N1 CS19876 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.18 CC1=C(Br)SC(N)=N1 CS15953 [1,0,0,0,0,0|2,1,0]=4 35 B8R1.18 CC1=C(Br)SC(N)=N1 CS21269 [1,0,0,0,0,0|2,1,0]=4 36 B8R1.18 CC1=C(C)OC(=O)O1 CS18029 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.18 CC1=C(C)SC(Br)=N1 CS13229 [1,0,0,0,0,0|1,1,0]=3 38 B8R1.18 CC1=C(C)SC(N)=N1 CS21234 [1,0,0,0,0,0|1,1,0]=3 39 B8R1.18 CC1=C(Cl)N=C(Cl)S1 CS16846 [1,0,0,0,0,0|2,1,0]=4 40 B8R1.18 CC1=C(I)NC(I)=N1 CS19843 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.18 CC1=CC(C)=NN1C CS19810 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.18 CC1=CC(I)=C(C)S1 MC425075 [1,0,0,0,0,0|2,1,0]=4 43 B8R1.18 CC1=CC(N)=NN1C CS13792 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.18 CC1=NC(Br)=CN1C MC107044 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.18 CC1=NN(C)C(=O)C1 CS17716 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.18 CC1=NN(C)C=C1I MC431130 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.35 CCN1C=C(Cl)C(CN)=N1 MC110918 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.58 CC1=C(C)SC(C(=O)O)=N1 MC425658 [0,1,0,0,0,0|1,1,1]=4 49 B10R1.8 CC1=CC(C#N)=NC(C)=C1 MC111080 [0,0,0,0,0,1|2,0,1]=4 50 B10R1.8 CC1=CC(C)=CC(CBr)=C1 CS18923 [0,0,0,0,0,1|3,0,0]=4 51 B10R1.8 CC1=CC(C)=CC(CO)=C1 MC40707 [0,0,0,0,0,1|3,0,0]=4 52 B10R1.8 CC1=CC(C)=NC(C#N)=N1 CS12267 [0,0,0,0,0,1|2,0,1]=4 53 B10R1.8 CC1=CC(C)=NC(CCl)=N1 CS14603 [0,0,0,0,0,1|2,0,0]=3 54 B10R1.8 CC1=CC(CCl)=NC(C)=C1 CS17890 [0,0,0,0,0,1|2,0,0]=3 55 B10R1.8 CC1=CC(CO)=CC(C)=N1 CS20117 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.8 CC1=CC(Cl)=CC(CO)=N1 MC110838 [0,0,0,0,0,1|3,0,0]=4 57 B10R1.8 CC1=CC(N)=NC(CO)=N1 MC425247 [0,0,0,0,0,1|3,0,0]=4 58 B10R1.8 CC1=CC(O)=NC(CN)=N1 MC106273 [0,0,0,0,0,1|3,0,0]=4 59 B10R1.8 CC1=NC(N)=CC(CO)=N1 MC121184 [0,0,0,0,0,1|3,0,0]=4 60 B10R1.8 CCC1=CC(Cl)=NC(N)=N1 CS22775 [0,0,0,0,0,1|3,0,0]=4 61 B10R1.8 CCC1=CC(N)=NC(C)=N1 MC425886 [0,0,0,0,0,1|2,0,0]=3 62 B10R1.8 CCC1=NC(=O)C=C(O)N1 CS22424 [0,0,0,0,0,1|3,0,0]=4 63 B10R1.8 CCC1=NC(Cl)=CC(Cl)=N1 CS17845 [0,0,0,0,0,1|3,0,0]=4 64 B10R1.8 CCC1=NC(Cl)=CC(N)=N1 CS19692 [0,0,0,0,0,1|3,0,0]=4 65 B10R1.8 COC1=CC(C)=CC(C)=C1 MC41339 [0,0,0,0,0,1|3,0,0]=4 66 B10R1.8 COC1=CC(Cl)=NC(C)=N1 CS12795 [0,0,0,0,0,1|3,0,0]=4 67 B10R1.8 COC1=NC(Br)=NC(C)=C1 CS18105 [0,0,0,0,0,1|3,0,0]=4 68 B10R1.8 COC1=NC(Cl)=NC(C)=C1 MC442783 [0,0,0,0,0,1|3,0,0]=4 69 B10R1.8 COC1=NC(N)=NC(C)=C1 CS19550 [0,0,0,0,0,1|3,0,0]=4 70 B10R1.8 COC1=NC(N)=NC(C)=N1 CS21810 [0,0,0,0,0,1|3,0,0]=4 71 B10R1.8 CSC1=CC(C)=NC(Cl)=N1 MC20936 [0,0,0,0,0,1|3,0,0]=4 72 B10R1.8 CSC1=CC(Cl)=NC(C)=N1 MC444335 [0,0,0,0,0,1|3,0,0]=4 73 B10R1.176 CC1=C(C)C=C(CBr)C=C1 CS14390 [0,0,0,0,0,1|3,0,0]=4 74 B10R1.176 CC1=C(C)C=C(CN)C=C1 MC40823 [0,0,0,0,0,1|3,0,0]=4 75 B10R1.176 CC1=C(C)C=C(CO)C=C1 MC40706 [0,0,0,0,0,1|3,0,0]=4 76 B10R1.176 CC1=C(Cl)N=CC(CO)=C1 CS16130 [0,0,0,0,0,1|3,0,0]=4 77 B10R1.176 CC1=CN=C(CO)C=C1Br MC106975 [0,0,0,0,0,1|3,0,0]=4 78 B10R1.176 CCC1=CN=C(C)C(C)=N1 CS21048 [0,0,0,0,0,1|1,0,0]=2 79 B10R1.176 COC1=CC(C)=C(N)C=N1 CS19252 [0,0,0,0,0,1|3,0,0]=4 80 B10R1.176 COC1=CC=C(Br)C(C)=N1 CS13578 [0,0,0,0,0,1|3,0,0]=4 81 B10R1.176 COC1=CC=C(Cl)C(C)=N1 MC33479 [0,0,0,0,0,1|3,0,0]=4 82 B10R1.176 COC1=CC=C(N)C(C)=N1 CS19107 [0,0,0,0,0,1|3,0,0]=4 83 B10R1.176 COC1=CC=C(N)C(C)=N1 MC20014 [0,0,0,0,0,1|3,0,0]=4 84 B10R1.176 COC1=CN=C(C)C(Br)=C1 MC104304 [0,0,0,0,0,1|3,0,0]=4 85 B10R1.176 COC1=CN=C(N)C(C)=C1 MC110629 [0,0,0,0,0,1|3,0,0]=4 86 B10R1.176 COC1=NC(C)=C(F)C=C1 MC20372 [0,0,0,0,0,1|3,0,0]=4 87 B10R1.176 COC1=NC=C(Br)C(C)=C1 MC20371 [0,0,0,0,0,1|3,0,0]=4 88 B10R1.176 COC1=NC=C(Br)C(C)=N1 MC441022 [0,0,0,0,0,1|3,0,0]=4 89 B10R1.176 CSC1=NC=C(C)C(=O)N1 MC103161 [0,0,0,0,0,1|3,0,0]=4 90 B10R1.176 CSC1=NC=C(C)C(Cl)=N1 CS16643 [0,0,0,0,0,1|3,0,0]=4 91 B7R0.2 CCC(=O)OC(C)=O CS16382 [1,0,1,0,0,0|2,0,0]=4 92 B7R1.1 BrCC1=NC=CO1 MC106296 [2,0,0,0,0,0|1,0,0]=3 93 B7R1.1 BrCC1=NC=CS1 CS12090 [2,0,0,0,0,0|1,1,0]=4 94 B7R1.1 CCC1=NC=CN1 CS21533 [2,0,0,0,0,0|1,0,0]=3 95 B7R1.1 CCN1C=CC=N1 CS20681 [2,0,0,0,0,0|2,0,0]=4 96 B7R1.1 CNC1=NC=CS1 CS12598 [2,0,0,0,0,0|1,1,0]=4 97 B7R1.1 COC1=NC=CS1 CS22597 [2,0,0,0,0,0|1,1,0]=4 98 B7R1.1 CSC1=NC=CO1 CS17723 [2,0,0,0,0,0|1,0,0]=3 99 B7R1.1 ClCC1=CC=CO1 CS13429 [2,0,0,0,0,0|2,0,0]=4 100 B7R1.1 ClCC1=NC=CN1 CS20896 [2,0,0,0,0,0|2,0,0]=4 101 B7R1.1 NCC1=CC=CO1 MC41689 [2,0,0,0,0,0|2,0,0]=4 102 B7R1.1 NCC1=NC=CS1 MC444202 [2,0,0,0,0,0|1,1,0]=4 103 B7R1.1 NCC1=NN=CO1 MC103312 [2,0,0,0,0,0|2,0,0]=4 104 B7R1.1 OCC1=CC=CO1 MC41687 [2,0,0,0,0,0|2,0,0]=4 105 B7R1.1 OCC1=NC=CS1 MC113802 [2,0,0,0,0,0|1,1,0]=4 106 B7R1.2 CC1=CC(C)=NN1 CS19982 [2,0,0,0,0,0|2,0,0]=4 107 B7R1.2 CC1=CC(C)=NO1 CS14107 [2,0,0,0,0,0|2,0,0]=4 108 B7R1.2 CC1=CC=C(C)N1 CS21153 [2,0,0,0,0,0|1,0,1]=4 109 B7R1.2 CC1=CN(C)C=N1 MC111221 [2,0,0,0,0,0|2,0,0]=4 110 B7R1.2 CC1=CN(C)N=C1 CS20542 [2,0,0,0,0,0|2,0,0]=4 111 B7R1.2 CC1=CN=C(Br)S1 CS12301 [2,0,0,0,0,0|1,1,0]=4 112 B7R1.2 CC1=CN=C(C)S1 CS22782 [2,0,0,0,0,0|0,1,0]=3 113 B7R1.2 CC1=CN=C(N)S1 CS21821 [2,0,0,0,0,0|1,1,0]=4 114 B7R1.2 CC1=CNC(Br)=N1 MC111806 [2,0,0,0,0,0|2,0,0]=4 115 B7R1.2 CC1=CNC(C)=N1 CS21117 [2,0,0,0,0,0|1,0,0]=3 116 B7R1.2 CC1=COC(Br)=N1 MC113513 [2,0,0,0,0,0|1,0,0]=3 117 B7R1.2 CC1=CSC(Br)=N1 CS18300 [2,0,0,0,0,0|1,1,0]=4 118 B7R1.2 CC1=CSC(C)=N1 CS22781 [2,0,0,0,0,0|0,1,0]=3 119 B7R1.2 CC1=NC(C)CO1 MC428186 [2,0,0,0,0,0|0,0,2]=4 120 B7R1.2 CC1=NC(I)=CS1 MC432141 [2,0,0,0,0,0|1,1,0]=4 121 B7R1.2 CC1=NC=C(I)N1 CS19295 [2,0,0,0,0,0|2,0,0]=4 122 B7R1.2 CC1=NC=C(I)S1 MC441133 [2,0,0,0,0,0|1,1,0]=4 123 B7R1.2 CC1=NC=C(N)N1 MC445566 [2,0,0,0,0,0|2,0,0]=4 124 B7R1.2 CC1=NC=C(N)S1 CS15937 [2,0,0,0,0,0|1,1,0]=4 125 B7R1.2 CC1=NN(C)C=C1 CS20520 [2,0,0,0,0,0|2,0,0]=4 126 B7R1.2 CC1=NN=C(C)O1 CS15161 [2,0,0,0,0,0|1,0,0]=3 127 B7R1.2 CC1=NNC(=O)O1 CS10427 [2,0,0,0,0,0|2,0,0]=4 128 B7R1.2 CC1=NNC(C)=N1 MC444208 [2,0,0,0,0,0|2,0,0]=4 129 B7R1.2 CC1=NSC(=O)O1 MC42245 [2,0,0,0,0,0|2,0,0]=4 130 B7R1.4 CC1=C(C)NC=N1 MC20435 [2,0,0,0,0,0|1,0,0]=3 131 B7R1.4 CC1=C(C)SC=N1 CS22784 [2,0,0,0,0,0|0,1,0]=3 132 B7R1.4 CC1=CC=NN1C CS19266 [2,0,0,0,0,0|2,0,0]=4 133 B7R1.4 CC1=CNN=C1C CS13346 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.7 CC1=NOC(CCN)=N1 MC100122 [1,1,0,0,0,0|1,0,0]=3 135 B9R1.7 CCOC1=NOC(C)=C1 MC427143 [1,1,0,0,0,0|2,0,0]=4 136 B9R1.7 CNCC1=CN(C)C=N1 MC105921 [1,1,0,0,0,0|2,0,0]=4 137 B9R1.21 CCC1=CC(CO)=NO1 MC106101 [1,1,0,0,0,0|2,0,0]=4 138 B9R1.21 CCC1=NC=C(C=O)S1 CS15904 [1,1,0,0,0,0|0,1,1]=4 139 B9R1.21 OCC1=CC=C(CO)O1 CS10151 [1,1,0,0,0,0|2,0,0]=4 140 B9R1.35 CC(=O)C1=NC(C)=CO1 CS16603 [1,1,0,0,0,0|0,0,1]=3 141 B9R1.35 CC(O)C1=CN(C)C=N1 MC103373 [1,1,0,0,0,0|2,0,0]=4 142 B9R1.35 CC1=CN=C(C(=O)O)O1 MC429957 [1,1,0,0,0,0|1,0,1]=4 143 B9R1.35 CC1=COC(C(=O)O)=N1 MC104071 [1,1,0,0,0,0|1,0,1]=4 144 B9R1.37 CC1=C(C)C(I)=C(C)S1 MC425074 [1,1,0,0,0,0|1,1,0]=4 145 B9R1.37 CC1=NN(C)C(C)=C1Br CS22622 [1,1,0,0,0,0|2,0,0]=4 146 B9R1.37 CC1=NN(C)C(C)=C1N CS15695 [1,1,0,0,0,0|2,0,0]=4 147 B11R1.9 CCC1=CC(OC)=CC(=O)O1 MC106605 [0,1,0,0,0,1|2,0,0]=4 148 B11R1.14 COC1=CC(C)=C(Br)C(C)=N1 MC106847 [0,1,0,0,0,1|2,0,0]=4 149 B11R1.34 CCOC1=NC(C)=CC(N)=C1 MC105729 [0,1,0,0,0,1|2,0,0]=4 150 B11R1.74 CC(=O)C1=NC(C)=CC(C)=C1 CS15839 [0,1,0,0,0,1|1,0,1]=4 151 B11R1.74 CC1=CC(N)=NC(C(C)C)=N1 MC425281 [0,1,0,0,0,1|2,0,0]=4 152 B11R1.74 CC1=NC(C(C)C)=CC(N)=N1 MC425907 [0,1,0,0,0,1|2,0,0]=4 153 B9R1.69 CC1=CN=C(C)C(C)=C1 CS20999 [0,0,1,1,0,0|1,0,1]=4 154 B9R1.1 CC1=CC=C(CN)N=N1 MC100078 [1,0,0,0,0,1|2,0,0]=4 155 B9R1.1 CC1=CC=C(CO)C=N1 MC21041 [1,0,0,0,0,1|2,0,0]=4 156 B9R1.1 CC1=CN=C(CCl)C=C1 MC115829 [1,0,0,0,0,1|2,0,0]=4 157 B9R1.1 CC1=CN=C(CCl)C=N1 MC103599 [1,0,0,0,0,1|2,0,0]=4 158 B9R1.1 CC1=CN=C(CCl)N=C1 CS15667 [1,0,0,0,0,1|2,0,0]=4 159 B9R1.1 CC1=CN=C(CCl)N=C1 MC104693 [1,0,0,0,0,1|2,0,0]=4 160 B9R1.1 CC1=CN=C(CN)C=C1 CS18319 [1,0,0,0,0,1|2,0,0]=4 161 B9R1.1 CC1=CN=C(CN)N=C1 MC103801 [1,0,0,0,0,1|2,0,0]=4 162 B9R1.1 CC1=CN=C(CO)C=N1 CS12383 [1,0,0,0,0,1|2,0,0]=4 163 B9R1.1 CC1=CN=C(CO)N=C1 MC102095 [1,0,0,0,0,1|2,0,0]=4 164 B9R1.1 CCC1=CN=C(Br)C=C1 CS13124 [1,0,0,0,0,1|2,0,0]=4 165 B9R1.1 CCC1=CN=C(Br)C=N1 MC443464 [1,0,0,0,0,1|2,0,0]=4 166 B9R1.1 CCC1=CN=C(C)C=C1 MC20566 [1,0,0,0,0,1|1,0,0]=3 167 B9R1.1 CCC1=NC=C(Br)C=C1 CS12376 [1,0,0,0,0,1|2,0,0]=4 168 B9R1.1 CCC1=NC=C(Br)C=N1 CS13125 [1,0,0,0,0,1|2,0,0]=4 169 B9R1.1 CCC1=NC=C(N)C=N1 MC444378 [1,0,0,0,0,1|2,0,0]=4 170 B9R1.1 COC1=NC=C(C)C=C1 CS21644 [1,0,0,0,0,1|2,0,0]=4 171 B9R1.34 CC1=CC(Br)=CC(C)=N1 CS17464 [1,0,0,0,0,1|2,0,0]=4 172 B9R1.34 CC1=CC(Br)=NC(C)=C1 CS14545 [1,0,0,0,0,1|2,0,0]=4 173 B9R1.34 CC1=CC(C)=CC(C)=C1 MC41548 [1,0,0,0,0,1|2,0,0]=4 174 B9R1.34 CC1=CC(C)=NC(C)=C1 MC41641 [1,0,0,0,0,1|1,0,0]=3 175 B9R1.34 CC1=CC(C)=NC(Cl)=N1 CS19469 [1,0,0,0,0,1|2,0,0]=4 176 B9R1.34 CC1=CC(C)=NC(N)=N1 CS19549 [1,0,0,0,0,1|2,0,0]=4 177 B9R1.34 CC1=CC(C)=NC(O)=N1 CS19523 [1,0,0,0,0,1|2,0,0]=4 178 B9R1.34 CC1=CC(C)=NC(S)=N1 CS19545 [1,0,0,0,0,1|2,0,0]=4 179 B9R1.34 CC1=CC(C)=NC(S)=N1 MC41647 [1,0,0,0,0,1|2,0,0]=4 180 B9R1.34 CC1=CC(Cl)=CC(C)=N1 CS17490 [1,0,0,0,0,1|2,0,0]=4 181 B9R1.34 CC1=CC(Cl)=NC(C)=C1 CS18953 [1,0,0,0,0,1|2,0,0]=4 182 B9R1.34 CC1=CC(Cl)=NC(C)=N1 CS19474 [1,0,0,0,0,1|2,0,0]=4 183 B9R1.34 CC1=CC(I)=CC(C)=N1 CS15577 [1,0,0,0,0,1|2,0,0]=4 184 B9R1.34 CC1=CC(N)=CC(C)=N1 CS17195 [1,0,0,0,0,1|2,0,0]=4 185 B9R1.34 CC1=CC(N)=NC(C)=C1 CS19570 [1,0,0,0,0,1|2,0,0]=4 186 B9R1.34 CC1=CC(N)=NC(C)=N1 CS14489 [1,0,0,0,0,1|2,0,0]=4 187 B9R1.34 CC1=CC(O)=CC(C)=N1 CS21802 [1,0,0,0,0,1|2,0,0]=4 188 B9R1.34 CC1=CC(O)=NC(C)=C1 CS18772 [1,0,0,0,0,1|2,0,0]=4 189 B9R1.34 CC1=NC(C)=NC(O)=C1 MC428287 [1,0,0,0,0,1|2,0,0]=4 190 B9R1.34 Cc1cc(C)cc(C)c1 MC444978 [1,0,0,0,0,1|2,0,0]=4