0 B11R2.106 BrC1=C2C=CNC2=CC=C1 Z1255488032 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.106 BrC1=C2C=CNC2=NC=N1 Z1198178310 [0,0,0,0,0,0|2,0,1]=3 2 B11R2.106 BrC1=C2C=NNC2=CC=C1 Z952016260 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.106 BrC1=C2C=NSC2=CC=C1 Z1269142041 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.106 BrC1=C2N=CNC2=NC=N1 Z2685927705 [0,0,0,0,0,0|3,0,1]=4 5 B11R2.106 CC1=C2C=CNC2=CC=C1 Z384970526 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.106 CC1=C2C=CNC2=NC=C1 Z1198155764 [0,0,0,0,0,0|3,0,1]=4 7 B11R2.106 CC1=C2C=NNC2=CC=C1 Z1198166368 [0,0,0,0,0,0|3,0,0]=3 8 B11R2.106 CC1=C2N=NNC2=CC=C1 Z1198147968 [0,0,0,0,0,0|4,0,0]=4 9 B11R2.106 ClC1=C2C=CNC2=CC=C1 Z1203162552 [0,0,0,0,0,0|4,0,0]=4 10 B11R2.106 ClC1=C2C=CNC2=NC=N1 Z857668178 [0,0,0,0,0,0|2,0,1]=3 11 B11R2.106 ClC1=C2C=COC2=CC=N1 Z234894281 [0,0,0,0,0,0|4,0,0]=4 12 B11R2.106 ClC1=C2C=CSC2=CC=N1 Z425813692 [0,0,0,0,0,0|4,0,0]=4 13 B11R2.106 ClC1=C2C=CSC2=NC=N1 Z56899146 [0,0,0,0,0,0|3,0,1]=4 14 B11R2.106 ClC1=C2C=NNC2=CC=C1 Z1116312852 [0,0,0,0,0,0|3,0,0]=3 15 B11R2.106 ClC1=C2C=NNC2=NC=N1 Z1741971778 [0,0,0,0,0,0|1,0,1]=2 16 B11R2.106 ClC1=C2N=NNC2=CC=C1 Z3227153221 [0,0,0,0,0,0|4,0,0]=4 17 B11R2.106 ClC1=NC=CN2C1=CN=C2 Z1263714580 [0,0,0,0,0,0|4,0,0]=4 18 B11R2.106 FC1=C2C=CNC2=CC=C1 Z1203161966 [0,0,0,0,0,0|4,0,0]=4 19 B11R2.106 FC1=C2C=NNC2=CC=C1 Z1198172357 [0,0,0,0,0,0|3,0,0]=3 20 B11R2.106 NC1=C2C=CNC2=CC=C1 Z970344664 [0,0,0,0,0,0|4,0,0]=4 21 B11R2.106 NC1=C2C=CNC2=NC=C1 Z3242404317 [0,0,0,0,0,0|3,0,1]=4 22 B11R2.106 NC1=C2C=COC2=CC=N1 Z1198233274 [0,0,0,0,0,0|4,0,0]=4 23 B11R2.106 NC1=C2C=CSC2=NC=N1 Z316122296 [0,0,0,0,0,0|3,0,1]=4 24 B11R2.106 NC1=C2C=NNC2=CC=C1 Z381673574 [0,0,0,0,0,0|3,0,0]=3 25 B11R2.106 NC1=C2C=NNC2=NC=N1 Z57101323 [0,0,0,0,0,0|1,0,1]=2 26 B11R2.106 NC1=C2N=CC=C2NC=N1 Z2312286840 [0,0,0,0,0,0|4,0,0]=4 27 B11R2.106 NC1=C2N=CNC2=NC=N1 Z104498572 [0,0,0,0,0,0|3,0,1]=4 28 B11R2.106 NC1=C2N=NNC2=CC=C1 Z1198155806 [0,0,0,0,0,0|4,0,0]=4 29 B11R2.106 O=C1CCCC2=C1C=NN2 Z336080982 [0,0,0,0,0,0|2,1,1]=4 30 B11R2.106 O=C1N=CNC2=C1NC=C2 Z1198184375 [0,0,0,0,0,0|3,1,0]=4 31 B11R2.106 O=C1NC=NC2=C1C=NN2 Z104486670 [0,0,0,0,0,0|0,1,2]=3 32 B11R2.106 O=C1NCCC2=C1C=NN2 Z4500898722 [0,0,0,0,0,0|1,1,2]=4 33 B11R2.106 OC1=C2C=CNC2=CC=C1 Z1203730747 [0,0,0,0,0,0|3,1,0]=4 34 B11R2.106 OC1=C2C=CNC2=NC=C1 Z1198176784 [0,0,0,0,0,0|2,1,1]=4 35 B11R2.106 OC1=C2C=NNC2=CC=C1 Z596251856 [0,0,0,0,0,0|2,1,0]=3 36 B11R2.106 OC1=C2CCNC2=CC=N1 Z3033557931 [0,0,0,0,0,0|2,1,1]=4 37 B11R2.106 OC1=C2NN=CC2=NC=N1 Z1198176380 [0,0,0,0,0,0|2,1,1]=4 38 B11R2.106 S=C1N=CNC2=C1NC=N2 Z2569252111 [0,0,0,0,0,0|2,0,1]=3 39 B11R2.106 SC1=C2C=COC2=CC=N1 Z3401842123 [0,0,0,0,0,0|3,0,1]=4 40 B11R2.106 SC1=C2C=CSC2=NC=N1 Z203045820 [0,0,0,0,0,0|2,0,2]=4 41 B10R2.7 C1=CC2=C(C=C1)NC=C2 Z57833933 [1,0,0,0,0,0|3,0,0]=4 42 B10R2.7 C1=CC2=C(C=C1)NN=C2 Z276614452 [1,0,0,0,0,0|2,0,0]=3 43 B10R2.7 C1=CC2=C(C=C1)NN=N2 Z57127352 [1,0,0,0,0,0|3,0,0]=4 44 B10R2.7 C1=CC2=C(C=C1)ON=C2 Z220335556 [1,0,0,0,0,0|3,0,0]=4 45 B10R2.7 C1=CC2=C(C=CN2)C=N1 Z1079456082 [1,0,0,0,0,0|2,0,0]=3 46 B10R2.7 C1=CC2=C(C=CS2)C=N1 Z810507710 [1,0,0,0,0,0|3,0,0]=4 47 B10R2.7 C1=CC2=C(C=N1)C=NN2 Z1157651607 [1,0,0,0,0,0|1,0,0]=2 48 B10R2.7 C1=CC2=C(C=N1)CCN2 Z1650168304 [1,0,0,0,0,0|2,0,1]=4 49 B10R2.7 C1=CC2=C(N1)N=CN=C2 Z1741974263 [1,0,0,0,0,0|1,0,1]=3 50 B10R2.7 C1=CC2=C(N=C1)NC=C2 Z271099378 [1,0,0,0,0,0|2,0,1]=4 51 B10R2.7 C1=CC2=C(N=C1)NN=C2 Z1147474011 [1,0,0,0,0,0|1,0,1]=3 52 B10R2.7 C1=CC2=C(N=C1)NN=N2 Z3235024586 [1,0,0,0,0,0|2,0,1]=4 53 B10R2.7 C1=CN2C=NC=C2C=N1 Z1198219267 [1,0,0,0,0,0|3,0,0]=4 54 B10R2.7 C1=NC=C2N=NNC2=C1 Z56777354 [1,0,0,0,0,0|2,0,0]=3 55 B10R2.7 C1=NC=NC2=C1C=NN2 Z1198168658 [1,0,0,0,0,0|0,0,1]=2 56 B12R2.82 ClC1=C2C=NNC2=CC=C1Br Z1269146209 [0,1,0,0,0,0|3,0,0]=4 57 B12R2.82 NC1=C(C2=C(C=C1)NN=C2)Br Z2732978967 [0,1,0,0,0,0|3,0,0]=4 58 B12R2.82 OC1=C(C2=C(C=C1)NN=C2)Br Z1486007507 [0,1,0,0,0,0|3,0,0]=4 59 B12R2.196 CN1C=CC2=C1N=CN=C2Cl Z1198154285 [0,1,0,0,0,0|2,0,1]=4 60 B12R2.196 CN1C=CC2=C1N=CN=C2N Z1203579776 [0,1,0,0,0,0|2,0,1]=4 61 B12R2.196 CN1N=CC2=C1C=NN=C2N Z1198165884 [0,1,0,0,0,0|3,0,0]=4 62 B12R2.196 CN1N=CC2=C1N=CN=C2Br Z415645046 [0,1,0,0,0,0|1,0,1]=3 63 B12R2.196 CN1N=CC2=C1N=CN=C2Cl Z220518426 [0,1,0,0,0,0|1,0,1]=3 64 B12R2.196 CN1N=CC2=C1N=CN=C2S Z221603856 [0,1,0,0,0,0|0,0,2]=3 65 B12R2.196 CN1N=CC2=C1N=CNC2=O Z220383472 [0,1,0,0,0,0|0,1,2]=4 66 B12R2.196 CN1N=CC2=C1NC=CC2=O Z1201627649 [0,1,0,0,0,0|1,1,0]=3 67 B12R2.196 CN1N=NC2=C1N=CN=C2Cl Z1198173483 [0,1,0,0,0,0|2,0,1]=4 68 B12R2.196 CN1N=NC2=C1N=CN=C2N Z1216815470 [0,1,0,0,0,0|2,0,1]=4 69 B12R2.196 CN1NC=C2C1=NC=NC2=N Z1263714050 [0,1,0,0,0,0|1,0,2]=4 70 B12R2.202 CC1=CC2=C(N1)N=CN=C2Cl Z1255379822 [0,1,0,0,0,0|2,0,1]=4 71 B12R2.202 CC1=CC2=C(S1)NC=NC2=O Z1715337269 [0,1,0,0,0,0|2,1,0]=4 72 B12R2.202 CC1=CC2=C(S1)NC=NC2=S Z1889902514 [0,1,0,0,0,0|2,0,0]=3 73 B12R2.202 ClC1=C2C=C(NC2=NC=N1)Br Z1269220114 [0,1,0,0,0,0|2,0,1]=4 74 B12R2.202 ClC1=C2C=C(NC2=NC=N1)I Z1269127386 [0,1,0,0,0,0|2,0,1]=4 75 B12R2.202 ClC1=CC2=C(N1)N=CN=C2Cl Z1198329536 [0,1,0,0,0,0|2,0,1]=4 76 B12R2.203 CC1=NNC2=C1C(=NC=N2)Cl Z1255463449 [0,1,0,0,0,0|1,0,1]=3 77 B12R2.203 CC1=NNC2=C1C(=NC=N2)O Z1201627820 [0,1,0,0,0,0|0,1,1]=3 78 B12R2.203 CC1=NOC2=C1C(=NC=N2)Cl Z1117909975 [0,1,0,0,0,0|2,0,1]=4 79 B12R2.203 CC1=NOC2=C1C(=NC=N2)N Z1255400773 [0,1,0,0,0,0|2,0,1]=4 80 B12R2.203 ClC1=C2C(=CNC2=NC=N1)I Z1269153491 [0,1,0,0,0,0|2,0,1]=4 81 B12R2.203 ClC1=C2C(=NNC2=NC=N1)Br Z1139751358 [0,1,0,0,0,0|1,0,1]=3 82 B12R2.203 NC1=C2C(=CNC2=NC=N1)I Z1269137020 [0,1,0,0,0,0|2,0,1]=4 83 B12R2.203 NC1=NNC2=C1C(=CC=C2)Br Z1269220695 [0,1,0,0,0,0|3,0,0]=4 84 B12R2.203 NC1=NNC2=C1C(=CC=C2)F Z381676076 [0,1,0,0,0,0|3,0,0]=4 85 B12R2.203 NC1=NNC2=C1C(=CC=C2)I Z1269133602 [0,1,0,0,0,0|3,0,0]=4 86 B12R2.203 NC1=NNC2=C1C(=NC=C2)O Z1255429876 [0,1,0,0,0,0|1,1,0]=3 87 B12R2.221 CC1=C2C=NNC2=C(C=C1)N Z381673576 [0,1,0,0,0,0|3,0,0]=4 88 B12R2.221 CN1C=NC(=O)C2=C1NC=N2 Z3068661277 [0,1,0,0,0,0|2,1,0]=4 89 B12R2.221 ClC1=C2C=NNC2=C(C=C1)Br Z1269130858 [0,1,0,0,0,0|3,0,0]=4 90 B12R2.221 NC1=C2C=NNC2=C(C=N1)Br Z2311353961 [0,1,0,0,0,0|2,0,0]=3 91 B12R2.221 NC1=C2NN=CC2=C(C=C1)Br Z1269212713 [0,1,0,0,0,0|3,0,0]=4 92 B12R2.221 NC1=C2NN=CC2=C(C=C1)F Z1198163163 [0,1,0,0,0,0|3,0,0]=4 93 B12R2.246 CC1=C2C=NNC2=CC(=C1)N Z1198174638 [0,1,0,0,0,0|3,0,0]=4 94 B12R2.246 CC1=C2C=NNC2=NC(=N1)Cl Z2418413986 [0,1,0,0,0,0|1,0,1]=3 95 B12R2.246 CC1=NC(=C2C=CN=C2N1)Cl Z1696822330 [0,1,0,0,0,0|2,0,1]=4 96 B12R2.246 CC1=NC2=C(C=CN2)C(=N1)N Z1203587571 [0,1,0,0,0,0|2,0,1]=4 97 B12R2.246 CC1=NC2=C(C=NN2)C(=N1)Cl Z382820170 [0,1,0,0,0,0|1,0,1]=3 98 B12R2.246 CC1=NC2=C(C=NN2)C(=N1)N Z57101151 [0,1,0,0,0,0|1,0,1]=3 99 B12R2.246 CC1=NC2=C(C=NN2)C(=O)N1 Z732618066 [0,1,0,0,0,0|0,1,2]=4 100 B12R2.246 ClC1=NC2=C(C=CN2)C(=N1)Cl Z1741972597 [0,1,0,0,0,0|2,0,1]=4 101 B12R2.246 ClC1=NC2=C(C=NN2)C(=N1)Cl Z959275470 [0,1,0,0,0,0|1,0,1]=3 102 B12R2.246 FC1=C2C=NNC2=CC(=C1)Br Z1269137546 [0,1,0,0,0,0|3,0,0]=4 103 B12R2.246 FC1=CC2=C(C=NN2)C(=C1)F Z1198174629 [0,1,0,0,0,0|3,0,0]=4 104 B12R2.246 NC1=C2C=NNC2=CC(=C1)O Z1198174597 [0,1,0,0,0,0|3,0,0]=4 105 B12R2.246 NC1=C2C=NNC2=NC(=N1)Cl Z1198309741 [0,1,0,0,0,0|1,0,1]=3 106 B12R2.246 NC1=CC2=C(C=NN2)C(=C1)Br Z1269182536 [0,1,0,0,0,0|3,0,0]=4 107 B12R2.246 NC1=NC(=S)C2=C(N1)N=CN2 Z2299468139 [0,1,0,0,0,0|2,0,1]=4 108 B12R2.246 NC1=NC2=C(C=CN2)C(=N1)N Z3211701771 [0,1,0,0,0,0|2,0,1]=4 109 B12R2.246 NC1=NC2=C(C=CN2)C(=N1)O Z1198150171 [0,1,0,0,0,0|1,1,1]=4 110 B12R2.246 O=C1NC(=NC2=C1C=NN2)Cl Z1587294678 [0,1,0,0,0,0|0,1,2]=4 111 B12R2.246 O=C1NC(=NC2=C1C=NN2)S Z198750874 [0,1,0,0,0,0|0,1,2]=4 112 B12R2.246 OC1=NC2=C(C=NN2)C(=N1)O Z3015154132 [0,1,0,0,0,0|0,1,1]=3 113 B12R2.315 C#CC1=C2C=NNC2=CC=C1 Z1322793831 [0,1,0,0,0,0|3,0,0]=4 114 B12R2.315 CNC1=C2C=NNC2=NC=N1 Z57101324 [0,1,0,0,0,0|1,0,1]=3 115 B12R2.315 CSC1=C2C=CNC2=NC=N1 Z1039088584 [0,1,0,0,0,0|1,0,2]=4 116 B12R2.315 O=CC1=C2C=NNC2=CC=C1 Z1198169738 [0,1,0,0,0,0|2,1,0]=4 117 B10R1.4 O/N=C/C1=C(N=CC=C1)Cl Z89270863 [0,0,1,0,0,0|3,0,0]=4 118 B10R1.245 NC1=C(C(=NC=N1)Cl)C=O Z1201622488 [0,0,1,0,0,0|2,0,1]=4 119 B12R2.1081 ClC1=C2C=CN=CC2=NC=N1 Z1198269948 [0,0,0,0,0,1|2,0,1]=4 120 B12R2.1081 O=C1C=CNC2=C1C=CN=C2 Z4513281563 [0,0,0,0,0,1|2,1,0]=4 121 B12R2.1081 O=C1N=CNC2=C1N=CC=C2 Z3037257396 [0,0,0,0,0,1|2,1,0]=4 122 B12R2.1081 S=C1C=CNC2=C1C=CC=C2 Z1258992692 [0,0,0,0,0,1|3,0,0]=4 123 B12R2.1081 SC1=C2C=NC=NC2=NC=N1 Z1209434362 [0,0,0,0,0,1|0,0,3]=4 124 B9R1.3 CC1=C(NC=NC1=O)N Z2216303046 [1,0,1,0,0,0|0,1,1]=4 125 B9R1.3 NC1=C(C(=O)N=CN1)Cl Z1945706336 [1,0,1,0,0,0|1,1,0]=4 126 B9R1.3 NC1=C(C(=O)N=CN1)I Z2218556128 [1,0,1,0,0,0|1,1,0]=4 127 B9R1.15 NC1=C(C=NC=C1)C=O Z1157726300 [1,0,1,0,0,0|2,0,0]=4 128 B9R1.15 NC1=C(C=NC=N1)C=O Z3244817347 [1,0,1,0,0,0|1,0,1]=4 129 B9R1.41 NC(=O)C1=C(NN=C1)N Z300087852 [1,0,1,0,0,0|0,1,1]=4 130 B9R1.41 NC1=C(C=NN1)C(=O)O Z221429196 [1,0,1,0,0,0|1,1,0]=4 131 B11R2.1 BrC1=NNC2=C1C=CC=C2 Z56791616 [1,1,0,0,0,0|2,0,0]=4 132 B11R2.1 CC1=NNC2=C1C=CC=N2 Z1198220784 [1,1,0,0,0,0|1,0,1]=4 133 B11R2.1 CC1=NNC2=C1C=NC=C2 Z1198341461 [1,1,0,0,0,0|1,0,0]=3 134 B11R2.1 CN1C=CC2=C1C=CN=C2 Z1255373921 [1,1,0,0,0,0|2,0,0]=4 135 B11R2.1 CN1N=NC2=C1C=CN=C2 Z1255379635 [1,1,0,0,0,0|2,0,0]=4 136 B11R2.1 IC1=CNC2=C1C=NC=C2 Z1154254658 [1,1,0,0,0,0|2,0,0]=4 137 B11R2.1 NC1=NNC2=C1C=CC=C2 Z56820416 [1,1,0,0,0,0|2,0,0]=4 138 B11R2.10 CC1=CC2=C(N1)C=CN=C2 Z1255388194 [1,1,0,0,0,0|2,0,0]=4 139 B11R2.36 BrC1=CC2=C(C=C1)NN=C2 Z57192026 [1,1,0,0,0,0|2,0,0]=4 140 B11R2.36 CC1=CC2=C(C=C1)NN=C2 Z276614446 [1,1,0,0,0,0|2,0,0]=4 141 B11R2.36 CC1=NC2=C(C=CN2)C=N1 Z1198729301 [1,1,0,0,0,0|1,0,1]=4 142 B11R2.36 CC1=NC=C2C=CNC2=C1 Z1255420119 [1,1,0,0,0,0|2,0,0]=4 143 B11R2.36 ClC1=NC2=C(C=CN2)C=N1 Z1198175094 [1,1,0,0,0,0|1,0,1]=4 144 B11R2.36 NC1=CC2=C(C=C1)C=NN2 Z104500558 [1,1,0,0,0,0|2,0,0]=4 145 B11R2.36 NC1=CC2=C(C=C1)NN=C2 Z319217146 [1,1,0,0,0,0|2,0,0]=4 146 B11R2.36 NC1=NC2=C(C=NN2)C=N1 Z1198334997 [1,1,0,0,0,0|0,0,1]=3 147 B11R2.36 NC1=NC=C2C=NNC2=C1 Z1255467862 [1,1,0,0,0,0|1,0,0]=3 148 B11R2.36 OC1=CC2=C(C=C1)C=NN2 Z1198147845 [1,1,0,0,0,0|2,0,0]=4 149 B11R2.36 OC1=CC2=C(C=C1)NN=C2 Z1209763128 [1,1,0,0,0,0|2,0,0]=4 150 B11R2.36 OC1=CC2=C(N=C1)NN=C2 Z5930869226 [1,1,0,0,0,0|1,0,1]=4 151 B13R2.9 CCN1N=CC2=C1N=CN=C2Cl Z802541232 [0,2,0,0,0,0|1,0,1]=4 152 B13R2.573 CSC1=C2C=NN(C2=NC=N1)C Z227416804 [0,2,0,0,0,0|0,0,2]=4 153 B13R2.3742 CC1=CC(=O)C2=C(N1)N(N=C2)C Z1509209579 [0,2,0,0,0,0|1,1,0]=4 154 B13R2.3742 CC1=NC2=C(C=NN2C)C(=N1)Cl Z382820146 [0,2,0,0,0,0|1,0,1]=4 155 B13R2.3742 CN1N=CC2=C1N=C(N=C2Cl)Cl Z979749710 [0,2,0,0,0,0|1,0,1]=4 156 B13R2.3742 CN1N=CC2=C1N=C(N=C2O)N Z2630873115 [0,2,0,0,0,0|0,1,1]=4 157 B13R2.4857 CC1=NN(C2=C1C(=O)C=CN2)C Z1918018307 [0,2,0,0,0,0|1,1,0]=4 158 B13R2.4857 CN1N=C(C2=C1N=CN=C2Cl)Br Z992915494 [0,2,0,0,0,0|1,0,1]=4 159 B13R2.2091 CCC1=NNC2=C1C(=NC=N2)Cl Z1255467326 [0,2,0,0,0,0|1,0,1]=4 160 B13R2.2091 N#CC1=NNC2=NC=NC(=C12)N Z1255391362 [0,2,0,0,0,0|1,0,1]=4 161 B13R2.11642 ClC1=NC2=C(C(=NN2)Cl)C(=N1)Cl Z2313097390 [0,2,0,0,0,0|1,0,1]=4 162 B13R2.623 CSC1=C2C=NNC2=NC(=N1)Cl Z1525463648 [0,2,0,0,0,0|0,0,2]=4 163 B13R2.5569 O=C(O)C1=C2C=NNC2=CC=N1 Z4450353192 [0,2,0,0,0,0|1,1,0]=4 164 B11R2.2 C1=CNC(=N1)C2=CNN=C2 Z3271379694 [0,0,1,1,0,0|2,0,0]=4 165 B9R2.3 C1=CC2=C(S1)C=NN2 Z1255441058 [1,0,0,0,1,0|2,0,0]=4