0 B8R1.2 C#CC1=CN=CN=C1 Z1080385536 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.2 C=CC1=CC=CC=C1 Z104474664 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.2 C=CC1=NC=CC=C1 Z104495554 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.2 CCC1=CC=CC=C1 Z104473632 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.2 CCC1=CC=NC=C1 Z1251171246 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.2 CCC1=CN=CC=C1 Z104476778 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.2 CCC1=NC=CC=C1 Z113558650 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.2 CCC1=NC=CC=N1 Z1198725952 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.2 CCC1=NC=NC=C1 Z1198725956 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 CCC1=NN=CC=C1 Z1222425026 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 CNC1=CC=CC=C1 Z104472478 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 CNC1=CN=CC=C1 Z1082871080 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.2 CNC1=NC=CC=N1 Z54628578 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.2 CNC1=NC=NC=C1 Z800212728 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.2 CNC1=NN=CC=C1 Z991530894 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.2 CNC1=NN=CC=N1 Z1198323671 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.2 COC1=CC=CC=C1 Z53833865 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.2 COC1=NCCCC1 Z729471270 [0,0,0,0,0,0|1,0,3]=4 18 B8R1.2 COC1CCC=CO1 Z995169098 [0,0,0,0,0,0|2,0,2]=4 19 B8R1.2 CSC1=CC=NC=C1 Z1376456468 [0,0,0,0,0,0|3,1,0]=4 20 B8R1.2 CSC1=NC=CN=C1 Z1203162104 [0,0,0,0,0,0|0,1,0]=1 21 B8R1.2 Cl[Se]C1=CC=CC=C1 Z1255485131 [0,0,0,0,0,0|3,1,0]=4 22 B8R1.2 N#CC1=CC=CC=C1 Z104473628 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.2 N#CC1=CN=CC=C1 Z57899719 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.2 N#CC1=CN=CN=C1 Z1201619938 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.2 N#CC1=NC=CC=N1 Z441820390 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.2 N#CC1=NC=CN=C1 Z448103898 [0,0,0,0,0,0|2,0,0]=2 27 B8R1.2 N#CC1=NC=NC=C1 Z1116387809 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.2 N#CC1=NN=CC=C1 Z1198236174 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.2 NCC1=CC=CC=C1 Z54748260 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.2 NCC1=CN=CC=C1 Z104474366 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.2 NCC1=CN=CN=C1 Z3244401628 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.2 NCC1=NC=CC=C1 Z104474352 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.2 NCC1=NC=CC=N1 Z1463350843 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.2 NCC1=NC=CN=C1 Z241059702 [0,0,0,0,0,0|2,0,0]=2 35 B8R1.2 NCC1=NC=NC=C1 Z254526552 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.2 NCC1=NN=CC=C1 Z1198165902 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.2 NNC1=CC=CC=C1 Z104472442 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.2 NNC1=NC=CC=C1 Z56887722 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.2 O=CC1=CN=CC=C1 Z104472124 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.2 O=CC1=CN=CN=C1 Z1013450426 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.2 O=CC1=CN=NC=C1 Z1255435509 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.2 O=CC1=NC=CC=C1 Z104472152 [0,0,0,0,0,0|3,0,0]=3 43 B8R1.2 O=CC1=NC=CN=C1 Z1013412214 [0,0,0,0,0,0|2,0,0]=2 44 B8R1.2 O=CC1=NN=CC=C1 Z1198165301 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.2 OCC1=CC=CC=C1 Z104476418 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.2 OCC1=CN=CC=C1 Z104495622 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.2 OCC1=NC=CC=C1 Z57921252 [0,0,0,0,0,0|3,0,0]=3 48 B7R1.3 BrC1=CN=CN=C1 Z285136922 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.3 BrC1=NC=CC=N1 Z415645012 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.3 BrC1=NC=CN=C1 Z415645016 [1,0,0,0,0,0|1,0,0]=2 51 B7R1.3 BrC1=NN=CC=C1 Z425821176 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.3 CC1=CN=CC=C1 Z104475010 [1,0,0,0,0,0|1,0,0]=2 53 B7R1.3 CC1=CN=NC=C1 Z1255398931 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.3 CC1=NC=CC=C1 Z104472800 [1,0,0,0,0,0|1,0,0]=2 55 B7R1.3 CC1=NC=CN=C1 Z415628164 [1,0,0,0,0,0|0,0,0]=1 56 B7R1.3 CC1=NN=CC=C1 Z1245648324 [1,0,0,0,0,0|2,0,0]=3 57 B7R1.3 C[N+]1=CC=CC=C1 Z57947843 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.3 ClC1=NC=CC=N1 Z104477694 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.3 ClC1=NC=CN=C1 Z104490192 [1,0,0,0,0,0|1,0,0]=2 60 B7R1.3 ClC1=NC=NC=C1 Z1962223597 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.3 ClC1=NN=CC=C1 Z3225948108 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.3 IC1=CN=CN=C1 Z1259106172 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.3 IC1=NC=CN=C1 Z1235940810 [1,0,0,0,0,0|1,0,0]=2 64 B7R1.3 NC1=CC=CC=C1 Z2301541997 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.3 NC1=CN=CC=C1 Z104494800 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.3 NC1=CN=CN=C1 Z800187814 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.3 NC1=NC=CC=C1 Z104472278 [1,0,0,0,0,0|2,0,0]=3 68 B7R1.3 NC1=NC=CC=N1 Z2895177097 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.3 NC1=NC=CN=C1 Z56899063 [1,0,0,0,0,0|1,0,0]=2 70 B7R1.3 NC1=NC=NC=C1 Z3244659415 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.3 NC1=NC=NN=C1 Z1203581736 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.3 NC1=NN=CC=C1 Z991531024 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.3 NC1=NN=CC=N1 Z104477884 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.3 O=C1C=CC=CN1 Z1245646663 [1,0,0,0,0,0|1,0,2]=4 75 B7R1.3 O=C1C=CC=NN1 Z803153778 [1,0,0,0,0,0|2,0,1]=4 76 B7R1.3 O=C1C=NC=CN1 Z3225868124 [1,0,0,0,0,0|0,0,2]=3 77 B7R1.3 O=C1N=CC=CN1 Z1201023052 [1,0,0,0,0,0|2,0,1]=4 78 B7R1.3 OC1=CC=CC=C1 Z104473830 [1,0,0,0,0,0|2,0,0]=3 79 B7R1.3 OC1=CN=CC=C1 Z104476790 [1,0,0,0,0,0|1,0,0]=2 80 B7R1.3 OC1=CN=CN=C1 Z1116372083 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.3 OC1=CN=NC=C1 Z2235790619 [1,0,0,0,0,0|2,0,0]=3 82 B7R1.3 OC1=NC=NC=C1 Z314605438 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.3 S=C1C=CNC=N1 Z1258992452 [1,0,0,0,0,0|2,1,0]=4 84 B7R1.3 SC1=NC=CC=C1 Z203045372 [1,0,0,0,0,0|1,1,0]=3 85 B7R1.3 SC1=NC=CC=N1 Z87001196 [1,0,0,0,0,0|2,1,0]=4 86 B7R1.3 SC1=NC=CN=C1 Z239089534 [1,0,0,0,0,0|0,1,0]=2 87 B9R1.1 BrCC1=NC=C(N=C1)Br Z3244822385 [0,1,0,0,0,0|2,0,0]=3 88 B9R1.1 C#CC1=CN=C(C=N1)Cl Z1255362190 [0,1,0,0,0,0|1,0,1]=3 89 B9R1.1 C=CC1=CN=C(C=C1)Cl Z4879401150 [0,1,0,0,0,0|2,0,1]=4 90 B9R1.1 C=CC1=CN=C(C=C1)F Z1255363901 [0,1,0,0,0,0|2,0,1]=4 91 B9R1.1 C=CC1=NC=C(C=C1)C Z1198181628 [0,1,0,0,0,0|2,0,1]=4 92 B9R1.1 CC1=CN=C(C=C1)C=O Z1198172069 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.1 CC1=CN=C(C=C1)CO Z1198270889 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.1 CC1=NC=C(C=C1)C#N Z362778572 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.1 CC1=NC=C(C=C1)C=O Z744849420 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.1 CC1=NC=C(C=C1)CN Z444349734 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.1 CC1=NC=C(C=C1)CO Z397587474 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.1 CC1=NC=C(N=C1)C#N Z1198164470 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.1 CC1=NC=C(N=C1)C=O Z1079442402 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.1 CC1=NC=C(N=C1)CN Z3271770568 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.1 CC1=NC=C(N=C1)CO Z397587476 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.1 CCC1=CC=C(C=C1)I Z381540768 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.1 CCC1=CC=C(C=C1)N Z104477836 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.1 CCC1=CC=C(C=C1)O Z104479728 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.1 CCC1=CN=C(C=C1)N Z1198224278 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.1 CCC1=CN=C(N=C1)Br Z1255367602 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.1 CCC1=CN=C(N=C1)Cl Z1255423971 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.1 CCC1=CN=C(N=C1)N Z1137168329 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.1 CCC1=NC=C(C=N1)N Z381402598 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.1 CCC1=NC=C(N=C1)Br Z1198319305 [0,1,0,0,0,0|1,0,0]=2 111 B9R1.1 CNC1=CC=C(C=C1)I Z744582716 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.1 CNC1=CC=C(C=C1)O Z940713298 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.1 CNC1=NC=C(C=C1)Br Z359297630 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.1 CNC1=NC=C(C=C1)C Z359297596 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.1 CNC1=NC=C(C=C1)Cl Z359297632 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.1 CNC1=NC=C(C=C1)F Z802823886 [0,1,0,0,0,0|2,0,0]=3 117 B9R1.1 CNC1=NC=C(C=N1)Br Z801570098 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.1 CNC1=NC=C(C=N1)F Z1203821135 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.1 CNC1=NC=C(C=N1)I Z1342834460 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.1 CNC1=NC=C(C=N1)N Z760033016 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.1 CNC1=NN=C(C=C1)C Z802821708 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.1 COC1=CC=C(C=C1)C Z53834227 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.1 COC1=CC=C(C=C1)F Z53834743 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.1 COC1=CC=C(C=C1)N Z56938150 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.1 COC1=CC=C(C=C1)O Z104474598 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.1 COC1=CN=C(C=C1)C Z1198232754 [0,1,0,0,0,0|1,0,0]=2 127 B9R1.1 COC1=CN=C(N=C1)N Z56767572 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.1 COC1=NC=C(C=C1)Br Z808608370 [0,1,0,0,0,0|1,0,0]=2 129 B9R1.1 COC1=NC=C(C=C1)Cl Z1094698482 [0,1,0,0,0,0|1,0,0]=2 130 B9R1.1 COC1=NC=C(C=C1)N Z56899049 [0,1,0,0,0,0|1,0,0]=2 131 B9R1.1 COC1=NC=C(C=C1)O Z1201623942 [0,1,0,0,0,0|1,0,0]=2 132 B9R1.1 COC1=NN=C(C=C1)N Z1201621262 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.1 COC1=NNC(=O)C=C1 Z1255391084 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.1 CSC1=CC=C(C=C1)N Z104511114 [0,1,0,0,0,0|2,1,0]=4 135 B9R1.1 CSC1=CN=C(C=C1)N Z412025068 [0,1,0,0,0,0|1,1,0]=3 136 B9R1.1 CSC1=NC=C(C=C1)N Z412022842 [0,1,0,0,0,0|1,1,0]=3 137 B9R1.1 CSC1=NC=C(C=N1)Br Z729560458 [0,1,0,0,0,0|2,1,0]=4 138 B9R1.1 CSC1=NC=C(C=N1)O Z1198152371 [0,1,0,0,0,0|2,1,0]=4 139 B9R1.1 CSC1=NN=C(C=C1)Br Z1269231852 [0,1,0,0,0,0|2,1,0]=4 140 B9R1.1 CSC1=NN=C(C=C1)Cl Z732207922 [0,1,0,0,0,0|2,1,0]=4 141 B9R1.1 CSC1=NN=C(C=N1)C Z1255500736 [0,1,0,0,0,0|1,1,0]=3 142 B9R1.1 CSC1=NNC(=O)C=C1 Z3300726140 [0,1,0,0,0,0|2,1,0]=4 143 B9R1.1 ClCC1=NC=C(N=C1)Cl Z1198277950 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.1 N#CC1=CN=C(C=C1)N Z295203362 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.1 N#CC1=CN=C(C=C1)S Z271138138 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.1 N#CC1=CN=C(C=N1)Cl Z1095350204 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.1 N#CC1=CN=C(C=N1)F Z1681360151 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.1 N#CC1=NC=C(C=C1)Br Z1079179246 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.1 N#CC1=NC=C(C=C1)N Z1065674734 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.1 NC1=NC=C(C=C1)CO Z960446254 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.1 NC1=NC=C(N=C1)CO Z1203583050 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.1 NCC1=CN=C(C=C1)Cl Z247612574 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.1 NCC1=CN=C(C=C1)F Z1198311144 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.1 NCC1=CN=C(C=C1)O Z1269638445 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.1 NCC1=NC=C(C=C1)Br Z3241254216 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.1 NCC1=NC=C(C=C1)Cl Z636367336 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.1 NCC1=NC=C(C=C1)F Z1198277779 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.1 NCC1=NC=C(C=C1)N Z3244746175 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.1 NCC1=NC=C(C=C1)O Z3324887230 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.1 NCC1=NC=C(N=C1)Br Z1416181963 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.1 NCC1=NC=C(N=C1)Cl Z1198278893 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.1 O=CC1=CN=C(C=C1)O Z1741969170 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.1 O=CC1=NC=C(C=C1)Br Z1079442796 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.1 O=CC1=NC=C(C=C1)Cl Z1198177123 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.1 O=CC1=NC=C(C=C1)F Z1201624239 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.1 O=CC1=NC=C(C=C1)O Z1741979912 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.1 OCC1=NC=C(C=C1)Br Z1065600752 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.1 OCC1=NC=C(C=C1)Cl Z1198272591 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.1 OCC1=NC=C(C=C1)O Z1217915045 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.1 OCC1=NC=C(N=C1)Br Z1255381074 [0,1,0,0,0,0|2,0,0]=3 171 B9R1.2 C#CC1=CC=CC(=N1)C Z1198181708 [0,1,0,0,0,0|2,0,1]=4 172 B9R1.2 C#CC1=CC=CC(=N1)Cl Z1255447720 [0,1,0,0,0,0|2,0,1]=4 173 B9R1.2 C#CC1=CC=CC(=N1)F Z1551923578 [0,1,0,0,0,0|2,0,1]=4 174 B9R1.2 C#CC1=CN=CC(=C1)Br Z1198278451 [0,1,0,0,0,0|2,0,1]=4 175 B9R1.2 C#CC1=CN=CC(=C1)Cl Z1198232594 [0,1,0,0,0,0|2,0,1]=4 176 B9R1.2 C#CC1=CN=CC(=C1)F Z1080385592 [0,1,0,0,0,0|2,0,1]=4 177 B9R1.2 CC1=CC(=CN=C1)C#N Z1203162272 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.2 CC1=CC(=CN=C1)C=O Z1198176743 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.2 CC1=CC(=CN=C1)CN Z1198167984 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.2 CC1=CC(=CN=C1)CO Z4562296729 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.2 CC1=CC(=NC=C1)C#N Z1160863237 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.2 CC1=CC(=NC=C1)C=O Z1201624018 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.2 CC1=NC(=CC=C1)C#N Z445153364 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.2 CC1=NC(=CC=C1)C=O Z1079442396 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.2 CC1=NC(=CC=C1)CN Z291234028 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.2 CC1=NC(=CC=C1)CO Z397587486 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.2 CC1=NC(=CN=C1)C#N Z1198181973 [0,1,0,0,0,0|2,0,0]=3 188 B9R1.2 CCC1=CC(=CC=C1)Br Z1201619408 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.2 CCC1=CC(=CC=C1)N Z104478688 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.2 CCC1=NC(=CC=C1)C Z1255485781 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.2 CCC1=NC(=CC=N1)Cl Z445153086 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.2 CCC1=NC(=NC=C1)Cl Z1198279743 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.2 CCC1=NC(=NC=C1)N Z1203579436 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.2 CCC1=NC=NC(=C1)Br Z798339806 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.2 CCC1=NC=NC(=C1)Cl Z798251108 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.2 CCC1=NC=NC(=C1)N Z798339040 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.2 CCC1=NC=NC(=C1)O Z798251110 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.2 CNC1=CC(=CC=C1)F Z335274194 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.2 CNC1=CC(=CC=C1)I Z4085232023 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.2 CNC1=CC(=CC=C1)N Z376447548 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.2 CNC1=CC(=CC=C1)O Z1082872246 [0,1,0,0,0,0|3,0,0]=4 202 B9R1.2 CNC1=CC(=CN=C1)Br Z1255444030 [0,1,0,0,0,0|2,0,0]=3 203 B9R1.2 CNC1=CC(=O)NN=C1 Z1270443752 [0,1,0,0,0,0|3,0,0]=4 204 B9R1.2 CNC1=NC(=CC=C1)C Z600403388 [0,1,0,0,0,0|2,0,0]=3 205 B9R1.2 CNC1=NC(=NC=C1)C Z960796268 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.2 CNC1=NC(=O)NC=C1 Z1762997321 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.2 COC1=CC(=CC=C1)C Z53834440 [0,1,0,0,0,0|2,0,0]=3 208 B9R1.2 COC1=CC(=CC=C1)N Z104472536 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.2 COC1=CC(=CC=C1)O Z104478798 [0,1,0,0,0,0|2,0,0]=3 210 B9R1.2 COC1=CC(=NC=C1)N Z1201624123 [0,1,0,0,0,0|3,0,0]=4 211 B9R1.2 COC1=CC(=O)NC=C1 Z1741975851 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.2 COC1=NC(=CC=C1)O Z1198172138 [0,1,0,0,0,0|1,0,0]=2 213 B9R1.2 COC1=NC(=CC=N1)N Z56773387 [0,1,0,0,0,0|2,0,0]=3 214 B9R1.2 COC1=NC(=CN=C1)N Z1198261569 [0,1,0,0,0,0|0,0,0]=1 215 B9R1.2 COC1=NC(=NC=C1)Cl Z56767615 [0,1,0,0,0,0|2,0,0]=3 216 B9R1.2 COC1=NC(=NC=C1)N Z1198154284 [0,1,0,0,0,0|2,0,0]=3 217 B9R1.2 COC1=NC(=NC=N1)N Z1203579080 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.2 COC1=NC=CC(=C1)Cl Z1201623697 [0,1,0,0,0,0|1,0,0]=2 219 B9R1.2 COC1=NC=NC(=C1)N Z1203578175 [0,1,0,0,0,0|2,0,0]=3 220 B9R1.2 CSC1=CC(=CC=C1)N Z104472758 [0,1,0,0,0,0|2,1,0]=4 221 B9R1.2 CSC1=CC(=CN=C1)N Z2239020735 [0,1,0,0,0,0|1,1,0]=3 222 B9R1.2 CSC1=NC(=CC=N1)C Z275763960 [0,1,0,0,0,0|2,1,0]=4 223 B9R1.2 CSC1=NC(=CC=N1)Cl Z1255485306 [0,1,0,0,0,0|2,1,0]=4 224 B9R1.2 CSC1=NC(=CC=N1)O Z54178262 [0,1,0,0,0,0|2,1,0]=4 225 B9R1.2 CSC1=NC(=CN=C1)Cl Z732207920 [0,1,0,0,0,0|0,1,0]=2 226 B9R1.2 CSC1=NC(=CN=N1)C Z1255426895 [0,1,0,0,0,0|1,1,0]=3 227 B9R1.2 CSC1=NC(=NC=C1)Cl Z976663640 [0,1,0,0,0,0|2,1,0]=4 228 B9R1.2 CSC1=NC(=NC=C1)I Z1269214861 [0,1,0,0,0,0|2,1,0]=4 229 B9R1.2 CSC1=NC(=NC=C1)N Z1203583461 [0,1,0,0,0,0|2,1,0]=4 230 B9R1.2 CSC1=NC(=O)NC=C1 Z1203731116 [0,1,0,0,0,0|2,1,0]=4 231 B9R1.2 CSC1=NC=CC(=C1)N Z851811592 [0,1,0,0,0,0|1,1,0]=3 232 B9R1.2 CSC1=NC=CC(=C1)O Z1255421960 [0,1,0,0,0,0|1,1,0]=3 233 B9R1.2 CSC1=NC=NC(=C1)Br Z1269212935 [0,1,0,0,0,0|2,1,0]=4 234 B9R1.2 CSC1=NC=NC(=C1)N Z1203579768 [0,1,0,0,0,0|2,1,0]=4 235 B9R1.2 CSC1=NN=CC(=O)N1 Z276550462 [0,1,0,0,0,0|1,1,1]=4 236 B9R1.2 ClCC1=CC(=CN=C1)Br Z381037204 [0,1,0,0,0,0|3,0,0]=4 237 B9R1.2 ClCC1=NC(=CN=C1)Cl Z1255357868 [0,1,0,0,0,0|2,0,0]=3 238 B9R1.2 N#CC1=CC=CC(=N1)Br Z1238671786 [0,1,0,0,0,0|3,0,0]=4 239 B9R1.2 N#CC1=CC=CC(=N1)Cl Z1162911438 [0,1,0,0,0,0|3,0,0]=4 240 B9R1.2 N#CC1=CC=CC(=N1)F Z1255391482 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.2 N#CC1=CN=CC(=C1)Br Z1079179144 [0,1,0,0,0,0|3,0,0]=4 242 B9R1.2 N#CC1=CN=CC(=C1)Cl Z1198162033 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.2 N#CC1=CN=CC(=C1)F Z1201624890 [0,1,0,0,0,0|3,0,0]=4 244 B9R1.2 N#CC1=CN=CC(=C1)O Z1198307115 [0,1,0,0,0,0|3,0,0]=4 245 B9R1.2 N#CC1=CN=CC(=N1)Br Z1165304242 [0,1,0,0,0,0|2,0,0]=3 246 B9R1.2 N#CC1=CN=CC(=N1)Cl Z1165304152 [0,1,0,0,0,0|2,0,0]=3 247 B9R1.2 N#CC1=CN=CC(=N1)F Z1681360134 [0,1,0,0,0,0|2,0,0]=3 248 B9R1.2 N#CC1=NC=CC(=C1)Cl Z979444862 [0,1,0,0,0,0|3,0,0]=4 249 B9R1.2 N#CC1=NC=CC(=C1)N Z1041131844 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.2 NC1=CC(=NC=C1)CO Z1198310848 [0,1,0,0,0,0|3,0,0]=4 251 B9R1.2 NC1=NC(=CC=C1)CO Z154209994 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.2 NC1=NC(=CN=C1)CO Z1203641562 [0,1,0,0,0,0|2,0,0]=3 253 B9R1.2 NCC1=CC(=CN=C1)Br Z2692250391 [0,1,0,0,0,0|3,0,0]=4 254 B9R1.2 NCC1=CC(=CN=C1)Cl Z3244925674 [0,1,0,0,0,0|3,0,0]=4 255 B9R1.2 NCC1=CC(=CN=C1)O Z2310701794 [0,1,0,0,0,0|3,0,0]=4 256 B9R1.2 NCC1=NC(=CC=C1)N Z2310698959 [0,1,0,0,0,0|3,0,0]=4 257 B9R1.2 NCC1=NC(=CN=C1)Cl Z3235038825 [0,1,0,0,0,0|2,0,0]=3 258 B9R1.2 NCC1=NC=CC(=C1)Cl Z1198173013 [0,1,0,0,0,0|3,0,0]=4 259 B9R1.2 NCC1=NC=CC(=C1)N Z2310678270 [0,1,0,0,0,0|3,0,0]=4 260 B9R1.2 NNC1=NC(=CN=C1)Cl Z319443864 [0,1,0,0,0,0|2,0,0]=3 261 B9R1.2 O=CC1=CN=CC(=C1)Br Z1079442626 [0,1,0,0,0,0|3,0,0]=4 262 B9R1.2 O=CC1=CN=CC(=C1)Cl Z1198179591 [0,1,0,0,0,0|3,0,0]=4 263 B9R1.2 O=CC1=CN=CC(=C1)F Z1183458945 [0,1,0,0,0,0|3,0,0]=4 264 B9R1.2 O=CC1=NC=CC(=C1)Br Z1198180938 [0,1,0,0,0,0|3,0,0]=4 265 B9R1.2 O=CC1=NC=CC(=C1)Cl Z1198173296 [0,1,0,0,0,0|3,0,0]=4 266 B9R1.2 O=CC1=NC=CC(=C1)F Z1255396820 [0,1,0,0,0,0|3,0,0]=4 267 B9R1.2 OCC1=CC(=CN=C1)Br Z381037198 [0,1,0,0,0,0|3,0,0]=4 268 B9R1.2 OCC1=NC(=CC=C1)O Z1198343459 [0,1,0,0,0,0|3,0,0]=4 269 B9R1.2 OCC1=NC=CC(=C1)Cl Z979714554 [0,1,0,0,0,0|3,0,0]=4 270 B9R1.6 CC(=O)C1=CC=CC=C1 Z57127548 [0,1,0,0,0,0|3,0,0]=4 271 B9R1.6 CC(=O)C1=CN=CC=C1 Z104474436 [0,1,0,0,0,0|2,0,0]=3 272 B9R1.6 CC(=O)C1=CN=CN=C1 Z992240312 [0,1,0,0,0,0|3,0,0]=4 273 B9R1.6 CC(=O)C1=NC=CC=C1 Z104474432 [0,1,0,0,0,0|2,0,0]=3 274 B9R1.6 CC(=O)C1=NC=CC=N1 Z513735982 [0,1,0,0,0,0|3,0,0]=4 275 B9R1.6 CC(=O)C1=NC=CN=C1 Z513735920 [0,1,0,0,0,0|1,0,0]=2 276 B9R1.6 CC(=O)C1=NN=CC=C1 Z1255432788 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.6 CC(C)C1=NC=CC=C1 Z1198148831 [0,1,0,0,0,0|2,0,0]=3 278 B9R1.6 CC(N)C1=CC=CC=C1 Z57102377 [0,1,0,0,0,0|3,0,0]=4 279 B9R1.6 CC(N)C1=CN=CC=C1 Z85921957 [0,1,0,0,0,0|2,0,0]=3 280 B9R1.6 CC(N)C1=NC=CC=C1 Z56347059 [0,1,0,0,0,0|2,0,0]=3 281 B9R1.6 CC(N)C1=NC=CC=N1 Z2945456281 [0,1,0,0,0,0|3,0,0]=4 282 B9R1.6 CC(O)C1=CC=CC=C1 Z104494956 [0,1,0,0,0,0|3,0,0]=4 283 B9R1.6 CC(O)C1=CN=CC=C1 Z335245084 [0,1,0,0,0,0|2,0,0]=3 284 B9R1.6 CC(O)C1=NC=CC=C1 Z335244914 [0,1,0,0,0,0|2,0,0]=3 285 B9R1.6 CC(O)C1=NC=CN=C1 Z513751834 [0,1,0,0,0,0|1,0,0]=2 286 B9R1.6 CN(C)C1=CN=CC=C1 Z1201619922 [0,1,0,0,0,0|2,0,0]=3 287 B9R1.6 CN(N)C1=CC=CC=C1 Z57985384 [0,1,0,0,0,0|3,0,0]=4 288 B9R1.6 C[C@@H](N)C1=CC=CC=C1 Z1079183182 [0,1,0,0,0,0|3,0,0]=4 289 B9R1.6 C[C@@H](O)C1=CC=CC=C1 Z360055166 [0,1,0,0,0,0|3,0,0]=4 290 B9R1.6 C[C@H](N)C1=CC=CC=C1 Z1079131570 [0,1,0,0,0,0|3,0,0]=4 291 B9R1.6 C[C@H](O)C1=CC=CC=C1 Z360055168 [0,1,0,0,0,0|3,0,0]=4 292 B9R1.6 N=C(N)C1=CN=CC=C1 Z444349586 [0,1,0,0,0,0|3,0,0]=4 293 B9R1.6 N=C(N)C1=NC=CC=C1 Z540728738 [0,1,0,0,0,0|3,0,0]=4 294 B9R1.6 N=C(N)C1=NC=CN=C1 Z1741973428 [0,1,0,0,0,0|2,0,0]=3 295 B9R1.6 NC(=O)C1=CN=CC=C1 Z33546463 [0,1,0,0,0,0|3,0,0]=4 296 B9R1.6 NC(=O)C1=NC=CC=C1 Z33546380 [0,1,0,0,0,0|3,0,0]=4 297 B9R1.6 NC(=O)C1=NC=CN=C1 Z33546644 [0,1,0,0,0,0|2,0,0]=3 298 B9R1.6 NC(=S)C1=CN=CC=C1 Z56960184 [0,1,0,0,0,0|3,0,0]=4 299 B9R1.6 NC(=S)C1=NC=CC=C1 Z56956073 [0,1,0,0,0,0|3,0,0]=4 300 B9R1.6 NC(=S)C1=NC=CN=C1 Z234895463 [0,1,0,0,0,0|2,0,0]=3 301 B9R1.6 O=C(O)C1=CN=CC=C1 Z56755709 [0,1,0,0,0,0|3,0,0]=4 302 B9R1.6 O=C(O)C1=NC=CC=C1 Z57968195 [0,1,0,0,0,0|3,0,0]=4 303 B9R1.6 O=C(O)C1=NC=CN=C1 Z104476002 [0,1,0,0,0,0|2,0,0]=3 304 B9R1.6 O=[N+]([O-])C1=NC=CC=C1 Z361899950 [0,1,0,0,0,0|3,0,0]=4 305 B9R1.6 OB(O)C1=CN=CC=C1 Z608482642 [0,1,0,0,0,0|3,0,0]=4 306 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [0,1,0,0,0,0|3,0,0]=4 307 B9R1.8 CCCC1=NC=CC=C1 Z1255434741 [0,1,0,0,0,0|2,0,0]=3 308 B9R1.8 CCCC1=NN=CC=C1 Z1486025396 [0,1,0,0,0,0|3,0,0]=4 309 B9R1.8 CCNC1=CC=CC=C1 Z104472482 [0,1,0,0,0,0|3,0,0]=4 310 B9R1.8 CCNC1=CN=CC=C1 Z334882416 [0,1,0,0,0,0|2,0,0]=3 311 B9R1.8 CCNC1=NN=CC=C1 Z991530898 [0,1,0,0,0,0|3,0,0]=4 312 B9R1.8 CNCC1=CN=CC=C1 Z56963341 [0,1,0,0,0,0|2,0,0]=3 313 B9R1.8 CNCC1=NC=CC=N1 Z2310727788 [0,1,0,0,0,0|3,0,0]=4 314 B9R1.8 CNCC1=NC=CN=C1 Z385447136 [0,1,0,0,0,0|1,0,0]=2 315 B9R1.8 CNCC1=NC=NC=C1 Z2871313713 [0,1,0,0,0,0|3,0,0]=4 316 B9R1.8 CSCC1=CN=CC=C1 Z599631354 [0,1,0,0,0,0|1,1,0]=3 317 B9R1.8 N#CCC1=CN=CC=C1 Z239871646 [0,1,0,0,0,0|2,0,1]=4 318 B9R1.8 N#CCC1=NC=CC=C1 Z104476888 [0,1,0,0,0,0|2,0,1]=4 319 B9R1.8 N#CCC1=NC=CN=C1 Z1098233793 [0,1,0,0,0,0|1,0,1]=3 320 B9R1.8 N#COC1=CC=CC=C1 Z1198165353 [0,1,0,0,0,0|2,0,1]=4 321 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [0,1,0,0,0,0|2,0,0]=3 322 B9R1.8 NCCC1=CN=NC=C1 Z3070743015 [0,1,0,0,0,0|3,0,0]=4 323 B9R1.8 NCCC1=NC=CC=C1 Z104478200 [0,1,0,0,0,0|2,0,0]=3 324 B9R1.8 NCCC1=NC=CN=C1 Z1925930460 [0,1,0,0,0,0|1,0,0]=2 325 B9R1.8 NCCC1=NC=NC=C1 Z2935002210 [0,1,0,0,0,0|3,0,0]=4 326 B9R1.8 NNCC1=CN=CC=C1 Z370706826 [0,1,0,0,0,0|3,0,0]=4 327 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [0,1,0,0,0,0|3,0,0]=4 328 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [0,1,0,0,0,0|3,0,0]=4 329 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [0,1,0,0,0,0|2,0,0]=3 330 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [0,1,0,0,0,0|2,0,0]=3 331 B9R1.8 OCCC1=NC=CN=C1 Z234895105 [0,1,0,0,0,0|1,0,0]=2 332 B9R1.8 OCCC1=NC=NC=C1 Z1250886882 [0,1,0,0,0,0|3,0,0]=4 333 B9R1.15 C#CC1=C(N=CC=N1)Cl Z1258977238 [0,1,0,0,0,0|1,0,1]=3 334 B9R1.15 CC1=C(C=CC=N1)C#N Z1198168592 [0,1,0,0,0,0|3,0,0]=4 335 B9R1.15 CC1=C(C=CC=N1)C=O Z1104852897 [0,1,0,0,0,0|3,0,0]=4 336 B9R1.15 CC1=C(C=NC=C1)C=O Z1198173330 [0,1,0,0,0,0|3,0,0]=4 337 B9R1.15 CC1=C(C=NC=C1)CO Z1198156922 [0,1,0,0,0,0|3,0,0]=4 338 B9R1.15 CC1=C(N=CC=C1)C#N Z382716046 [0,1,0,0,0,0|3,0,0]=4 339 B9R1.15 CC1=C(N=CC=C1)C=O Z1079442732 [0,1,0,0,0,0|3,0,0]=4 340 B9R1.15 CC1=C(N=CC=C1)CO Z976637084 [0,1,0,0,0,0|3,0,0]=4 341 B9R1.15 CC1=C(N=CC=N1)C#N Z1198181979 [0,1,0,0,0,0|2,0,0]=3 342 B9R1.15 CC1=C(N=CC=N1)C=O Z1198233269 [0,1,0,0,0,0|2,0,0]=3 343 B9R1.15 CC1=C(N=CC=N1)CN Z3671696702 [0,1,0,0,0,0|2,0,0]=3 344 B9R1.15 CCC1=C(C=CC=C1)Br Z1255457372 [0,1,0,0,0,0|3,0,0]=4 345 B9R1.15 CCC1=C(C=CC=C1)O Z104477226 [0,1,0,0,0,0|3,0,0]=4 346 B9R1.15 CCC1=C(C=NC=N1)O Z1618133826 [0,1,0,0,0,0|3,0,0]=4 347 B9R1.15 CCC1=C(N=CC=C1)N Z1192017773 [0,1,0,0,0,0|2,0,0]=3 348 B9R1.15 CCC1=C(N=CC=C1)O Z1198266674 [0,1,0,0,0,0|2,0,0]=3 349 B9R1.15 CCC1=C(N=CC=N1)Cl Z1198149374 [0,1,0,0,0,0|1,0,0]=2 350 B9R1.15 CCC1=C(N=CC=N1)N Z1203580180 [0,1,0,0,0,0|1,0,0]=2 351 B9R1.15 CCC1=CNC=CC1=N Z1525649973 [0,1,0,0,0,0|2,0,1]=4 352 B9R1.15 CCC1=NC=CNC1=O Z3274889193 [0,1,0,0,0,0|1,0,1]=3 353 B9R1.15 CCC1=NNC=NC1=O Z1201628993 [0,1,0,0,0,0|2,0,0]=3 354 B9R1.15 CNC1=C(C=CC=C1)Br Z2588063702 [0,1,0,0,0,0|3,0,0]=4 355 B9R1.15 CNC1=C(C=CC=C1)F Z335276746 [0,1,0,0,0,0|3,0,0]=4 356 B9R1.15 CNC1=C(C=CC=C1)N Z57472969 [0,1,0,0,0,0|3,0,0]=4 357 B9R1.15 CNC1=C(C=CC=N1)Br Z808603280 [0,1,0,0,0,0|2,0,0]=3 358 B9R1.15 CNC1=C(C=CC=N1)C Z968907582 [0,1,0,0,0,0|2,0,0]=3 359 B9R1.15 CNC1=C(C=CC=N1)F Z997723632 [0,1,0,0,0,0|2,0,0]=3 360 B9R1.15 CNC1=C(C=CC=N1)N Z803145504 [0,1,0,0,0,0|2,0,0]=3 361 B9R1.15 CNC1=C(C=CN=C1)C Z1124504699 [0,1,0,0,0,0|2,0,0]=3 362 B9R1.15 CNC1=C(C=NC=N1)F Z1681383887 [0,1,0,0,0,0|3,0,0]=4 363 B9R1.15 CNC1=C(C=NC=N1)I Z1269149847 [0,1,0,0,0,0|3,0,0]=4 364 B9R1.15 CNC1=C(C=NN=C1)Br Z3665297219 [0,1,0,0,0,0|3,0,0]=4 365 B9R1.15 CNC1=C(N=CC=C1)C Z1295808975 [0,1,0,0,0,0|2,0,0]=3 366 B9R1.15 CNC1=C(N=CC=C1)N Z1203578357 [0,1,0,0,0,0|2,0,0]=3 367 B9R1.15 CNC1=C(N=CC=N1)C Z2768516750 [0,1,0,0,0,0|1,0,0]=2 368 B9R1.15 CNC1=CNC=CC1=N Z2130740350 [0,1,0,0,0,0|2,0,1]=4 369 B9R1.15 COC1=C(C=CC=C1)F Z54600290 [0,1,0,0,0,0|2,0,0]=3 370 B9R1.15 COC1=C(C=CC=C1)O Z104474028 [0,1,0,0,0,0|2,0,0]=3 371 B9R1.15 COC1=C(C=CC=N1)N Z240084308 [0,1,0,0,0,0|1,0,0]=2 372 B9R1.15 COC1=C(C=CC=N1)O Z1255423921 [0,1,0,0,0,0|1,0,0]=2 373 B9R1.15 COC1=C(C=CN=N1)N Z2146515312 [0,1,0,0,0,0|2,0,0]=3 374 B9R1.15 COC1=C(C=NC=C1)Br Z1198165840 [0,1,0,0,0,0|3,0,0]=4 375 B9R1.15 COC1=C(C=NC=C1)N Z359373528 [0,1,0,0,0,0|3,0,0]=4 376 B9R1.15 COC1=C(C=NC=N1)Br Z1272130999 [0,1,0,0,0,0|2,0,0]=3 377 B9R1.15 COC1=C(C=NC=N1)I Z1269172401 [0,1,0,0,0,0|2,0,0]=3 378 B9R1.15 COC1=C(C=NC=N1)N Z1198222304 [0,1,0,0,0,0|2,0,0]=3 379 B9R1.15 COC1=C(N=CC=C1)C Z1198150814 [0,1,0,0,0,0|1,0,0]=2 380 B9R1.15 COC1=C(N=CC=C1)N Z362783902 [0,1,0,0,0,0|1,0,0]=2 381 B9R1.15 COC1=C(N=CC=N1)N Z1198166025 [0,1,0,0,0,0|0,0,0]=1 382 B9R1.15 COC1=C(N=CN=C1)N Z1201621261 [0,1,0,0,0,0|2,0,0]=3 383 B9R1.15 COC1=CC=CNC1=O Z2678251321 [0,1,0,0,0,0|1,0,1]=3 384 B9R1.15 CSC1=C(C=CC=C1)C Z785054008 [0,1,0,0,0,0|2,1,0]=4 385 B9R1.15 CSC1=C(C=CC=C1)N Z104478220 [0,1,0,0,0,0|2,1,0]=4 386 B9R1.15 CSC1=C(C=CC=N1)Br Z808605456 [0,1,0,0,0,0|1,1,0]=3 387 B9R1.15 CSC1=C(N=CC=C1)N Z1203640622 [0,1,0,0,0,0|1,1,0]=3 388 B9R1.15 ClCC1=C(N=CC=N1)Cl Z934373154 [0,1,0,0,0,0|2,0,0]=3 389 B9R1.15 N#CC1=C(C=CC=N1)N Z2756841900 [0,1,0,0,0,0|3,0,0]=4 390 B9R1.15 N#CC1=C(C=CN=C1)Cl Z1198176516 [0,1,0,0,0,0|3,0,0]=4 391 B9R1.15 N#CC1=C(C=CN=C1)N Z1083213944 [0,1,0,0,0,0|3,0,0]=4 392 B9R1.15 N#CC1=C(C=CN=C1)S Z2513333613 [0,1,0,0,0,0|3,0,0]=4 393 B9R1.15 N#CC1=C(N=CC=C1)N Z295203364 [0,1,0,0,0,0|3,0,0]=4 394 B9R1.15 N#CC1=C(N=CC=N1)Br Z995020080 [0,1,0,0,0,0|2,0,0]=3 395 B9R1.15 N#CC1=C(N=CC=N1)Cl Z992759282 [0,1,0,0,0,0|2,0,0]=3 396 B9R1.15 N#CC1=C(N=CC=N1)N Z995018904 [0,1,0,0,0,0|2,0,0]=3 397 B9R1.15 N#CC1=C(N=CC=N1)O Z995023286 [0,1,0,0,0,0|2,0,0]=3 398 B9R1.15 NC1=C(C=CC=N1)C=O Z787969952 [0,1,0,0,0,0|3,0,0]=4 399 B9R1.15 NC1=C(C=NC=C1)C=O Z1157726300 [0,1,0,0,0,0|3,0,0]=4 400 B9R1.15 NC1=C(N=CC=N1)CO Z1198237691 [0,1,0,0,0,0|2,0,0]=3 401 B9R1.15 NCC1=C(C=CC=N1)F Z1575304378 [0,1,0,0,0,0|3,0,0]=4 402 B9R1.15 NCC1=C(C=CC=N1)N Z1198181626 [0,1,0,0,0,0|3,0,0]=4 403 B9R1.15 NCC1=C(C=CC=N1)O Z1198156472 [0,1,0,0,0,0|3,0,0]=4 404 B9R1.15 NCC1=C(C=CN=C1)Cl Z3386909551 [0,1,0,0,0,0|3,0,0]=4 405 B9R1.15 NCC1=C(C=CN=C1)N Z1742055036 [0,1,0,0,0,0|3,0,0]=4 406 B9R1.15 NCC1=C(N=CC=N1)Cl Z2472857434 [0,1,0,0,0,0|2,0,0]=3 407 B9R1.15 NNC1=C(C=CC=N1)N Z1203148325 [0,1,0,0,0,0|3,0,0]=4 408 B9R1.15 O=CC1=C(C=CC=N1)Br Z1201624233 [0,1,0,0,0,0|3,0,0]=4 409 B9R1.15 O=CC1=C(C=CC=N1)Cl Z1198267206 [0,1,0,0,0,0|3,0,0]=4 410 B9R1.15 O=CC1=C(C=CC=N1)F Z1201624236 [0,1,0,0,0,0|3,0,0]=4 411 B9R1.15 O=CC1=C(C=CC=N1)O Z1201623419 [0,1,0,0,0,0|3,0,0]=4 412 B9R1.15 O=CC1=C(C=CN=C1)Br Z1201623579 [0,1,0,0,0,0|3,0,0]=4 413 B9R1.15 O=CC1=C(C=CN=C1)Cl Z1198164100 [0,1,0,0,0,0|3,0,0]=4 414 B9R1.15 O=CC1=C(C=CN=C1)O Z1198277591 [0,1,0,0,0,0|3,0,0]=4 415 B9R1.15 OCC1=C(C=CN=C1)Cl Z1741982140 [0,1,0,0,0,0|3,0,0]=4 416 B9R1.15 OCC1=C(N=CC=C1)Cl Z979431808 [0,1,0,0,0,0|3,0,0]=4 417 B7R1.1 C#CC1=NC=CS1 Z1255400696 [0,0,0,0,1,0|2,0,1]=4 418 B7R1.1 C#CC1=NNC=C1 Z1868316810 [0,0,0,0,1,0|2,0,1]=4 419 B7R1.1 CCC1=CC=CO1 Z640169748 [0,0,0,0,1,0|2,0,0]=3 420 B7R1.1 CCC1=CNC=N1 Z1203731354 [0,0,0,0,1,0|1,0,1]=3 421 B7R1.1 CCC1=CNN=C1 Z1139192482 [0,0,0,0,1,0|2,0,0]=3 422 B7R1.1 CCC1=NC=CN1 Z803154382 [0,0,0,0,1,0|1,0,1]=3 423 B7R1.1 CCC1=NN=CN1 Z2065464313 [0,0,0,0,1,0|2,0,1]=4 424 B7R1.1 CCC1=NN=NN1 Z335291070 [0,0,0,0,1,0|3,0,0]=4 425 B7R1.1 CCC1=NNC=C1 Z1238571110 [0,0,0,0,1,0|2,0,0]=3 426 B7R1.1 CCN1C=CC=N1 Z600618624 [0,0,0,0,1,0|2,0,0]=3 427 B7R1.1 CCN1C=CN=C1 Z286789018 [0,0,0,0,1,0|2,0,0]=3 428 B7R1.1 CCN1C=CN=N1 Z4497103939 [0,0,0,0,1,0|3,0,0]=4 429 B7R1.1 CNC1=CNN=C1 Z1313483441 [0,0,0,0,1,0|2,0,0]=3 430 B7R1.1 CNC1=CNN=N1 Z5069198351 [0,0,0,0,1,0|2,0,1]=4 431 B7R1.1 CNC1=NC=CS1 Z336483296 [0,0,0,0,1,0|2,0,0]=3 432 B7R1.1 CNC1=NN=CO1 Z235540568 [0,0,0,0,1,0|3,0,0]=4 433 B7R1.1 CNC1=NN=CS1 Z1082870996 [0,0,0,0,1,0|3,0,0]=4 434 B7R1.1 CNC1=NN=NN1 Z2572821634 [0,0,0,0,1,0|3,0,0]=4 435 B7R1.1 CNC1=NOC=C1 Z2489381644 [0,0,0,0,1,0|2,0,0]=3 436 B7R1.1 COC1=CNN=C1 Z2525138345 [0,0,0,0,1,0|1,0,0]=2 437 B7R1.1 COC1=NCCC1 Z147641734 [0,0,0,0,1,0|0,0,3]=4 438 B7R1.1 COC1=NN=CS1 Z1642058386 [0,0,0,0,1,0|2,0,0]=3 439 B7R1.1 COC1=NNC=C1 Z2130657375 [0,0,0,0,1,0|1,0,0]=2 440 B7R1.1 COC1=NSC=C1 Z1198333966 [0,0,0,0,1,0|1,0,0]=2 441 B7R1.1 CSC1=NC=CN1 Z1203730949 [0,0,0,0,1,0|0,1,1]=3 442 B7R1.1 CSC1=NN=NN1 Z821307136 [0,0,0,0,1,0|2,1,0]=4 443 B7R1.1 N#CC1=CC=CS1 Z56946090 [0,0,0,0,1,0|3,0,0]=4 444 B7R1.1 N#CC1=CC=NN1 Z1082448654 [0,0,0,0,1,0|3,0,0]=4 445 B7R1.1 N#CC1=CN=CS1 Z1160900223 [0,0,0,0,1,0|3,0,0]=4 446 B7R1.1 N#CC1=CNC=C1 Z1198155834 [0,0,0,0,1,0|2,0,1]=4 447 B7R1.1 N#CC1=CNN=C1 Z1082448648 [0,0,0,0,1,0|3,0,0]=4 448 B7R1.1 N#CC1=COC=C1 Z1079178908 [0,0,0,0,1,0|3,0,0]=4 449 B7R1.1 N#CC1=COC=N1 Z1143441220 [0,0,0,0,1,0|3,0,0]=4 450 B7R1.1 N#CC1=CSC=C1 Z57900046 [0,0,0,0,1,0|3,0,0]=4 451 B7R1.1 N#CC1=CSC=N1 Z1079456078 [0,0,0,0,1,0|3,0,0]=4 452 B7R1.1 N#CC1=CSN=C1 Z1216812452 [0,0,0,0,1,0|3,0,0]=4 453 B7R1.1 N#CC1=NC=CN1 Z1198180312 [0,0,0,0,1,0|2,0,1]=4 454 B7R1.1 N#CC1=NC=CS1 Z1198221374 [0,0,0,0,1,0|3,0,0]=4 455 B7R1.1 N#CC1=NOC=N1 Z1813175777 [0,0,0,0,1,0|3,0,0]=4 456 B7R1.1 N#CC1=NSC=C1 Z1255498705 [0,0,0,0,1,0|3,0,0]=4 457 B7R1.1 N#CN1C=CN=C1 Z1255365116 [0,0,0,0,1,0|3,0,0]=4 458 B7R1.1 NCC1=CC=CN1 Z976631692 [0,0,0,0,1,0|2,0,1]=4 459 B7R1.1 NCC1=CC=CS1 Z104485908 [0,0,0,0,1,0|3,0,0]=4 460 B7R1.1 NCC1=CC=NO1 Z1964347782 [0,0,0,0,1,0|3,0,0]=4 461 B7R1.1 NCC1=CC=NS1 Z2310716170 [0,0,0,0,1,0|3,0,0]=4 462 B7R1.1 NCC1=CN=CN1 Z1250100778 [0,0,0,0,1,0|2,0,1]=4 463 B7R1.1 NCC1=CNC=C1 Z1203586194 [0,0,0,0,1,0|2,0,1]=4 464 B7R1.1 NCC1=CNN=C1 Z1198394221 [0,0,0,0,1,0|3,0,0]=4 465 B7R1.1 NCC1=COC=C1 Z406680098 [0,0,0,0,1,0|3,0,0]=4 466 B7R1.1 NCC1=CSN=C1 Z2310727787 [0,0,0,0,1,0|3,0,0]=4 467 B7R1.1 NCC1=NC=CN1 Z1962341939 [0,0,0,0,1,0|2,0,1]=4 468 B7R1.1 NCC1=NC=CO1 Z4774639311 [0,0,0,0,1,0|3,0,0]=4 469 B7R1.1 NCC1=NC=CS1 Z1198107502 [0,0,0,0,1,0|3,0,0]=4 470 B7R1.1 NCC1=NC=NO1 Z2310727797 [0,0,0,0,1,0|3,0,0]=4 471 B7R1.1 NCC1=NOC=C1 Z802903300 [0,0,0,0,1,0|3,0,0]=4 472 B7R1.1 NCC1=NOC=N1 Z1266854926 [0,0,0,0,1,0|3,0,0]=4 473 B7R1.1 NCC1=NON=C1 Z2944173400 [0,0,0,0,1,0|3,0,0]=4 474 B7R1.1 O=CC1=CC=CN1 Z104478580 [0,0,0,0,1,0|2,0,1]=4 475 B7R1.1 O=CC1=CC=CO1 Z57161925 [0,0,0,0,1,0|3,0,0]=4 476 B7R1.1 O=CC1=CC=CS1 Z104472120 [0,0,0,0,1,0|3,0,0]=4 477 B7R1.1 O=CC1=CNC=C1 Z1154253206 [0,0,0,0,1,0|2,0,1]=4 478 B7R1.1 O=CC1=CNN=C1 Z275127960 [0,0,0,0,1,0|3,0,0]=4 479 B7R1.1 O=CC1=COC=C1 Z1065630348 [0,0,0,0,1,0|3,0,0]=4 480 B7R1.1 O=CC1=COC=N1 Z1255431640 [0,0,0,0,1,0|3,0,0]=4 481 B7R1.1 O=CC1=CSC=C1 Z57887873 [0,0,0,0,1,0|3,0,0]=4 482 B7R1.1 O=CC1=CSC=N1 Z734052598 [0,0,0,0,1,0|3,0,0]=4 483 B7R1.1 O=CC1=NNC=C1 Z234896951 [0,0,0,0,1,0|3,0,0]=4 484 B7R1.1 OCC1=CC=CO1 Z104472794 [0,0,0,0,1,0|3,0,0]=4 485 B7R1.1 OCC1=CC=CS1 Z104478586 [0,0,0,0,1,0|3,0,0]=4 486 B7R1.1 OCC1=CNC=N1 Z234898057 [0,0,0,0,1,0|2,0,1]=4 487 B7R1.1 OCC1=CNN=C1 Z812520032 [0,0,0,0,1,0|3,0,0]=4 488 B7R1.1 OCC1=COC=C1 Z397587426 [0,0,0,0,1,0|3,0,0]=4 489 B7R1.1 OCC1=NC=CN1 Z825761068 [0,0,0,0,1,0|2,0,1]=4 490 B7R1.1 OCC1=NC=CS1 Z57161013 [0,0,0,0,1,0|3,0,0]=4 491 B7R1.1 OCC1=NOC=C1 Z875021162 [0,0,0,0,1,0|3,0,0]=4 492 B7R1.1 OCN1C=CC=N1 Z1198155714 [0,0,0,0,1,0|3,0,0]=4 493 B7R1.1 OCN1C=NC=N1 Z57071658 [0,0,0,0,1,0|3,0,0]=4 494 B6R1.1 C1=CC=CC=C1 Z57120059 [2,0,0,0,0,0|2,0,0]=4 495 B6R1.1 C1=CC=NC=C1 Z56899837 [2,0,0,0,0,0|1,0,0]=3 496 B8R1.3 BrC1=CN=C(C=C1)I Z1269172302 [1,1,0,0,0,0|2,0,0]=4 497 B8R1.3 CC1=CC=C(C=C1)C Z199056432 [1,1,0,0,0,0|2,0,0]=4 498 B8R1.3 CC1=CC=C(C=C1)Cl Z56924546 [1,1,0,0,0,0|2,0,0]=4 499 B8R1.3 CC1=CC=C(C=C1)F Z104473648 [1,1,0,0,0,0|2,0,0]=4 500 B8R1.3 CC1=CC=C(C=C1)N Z57127875 [1,1,0,0,0,0|2,0,0]=4 501 B8R1.3 CC1=CC=C(C=C1)O Z104473818 [1,1,0,0,0,0|2,0,0]=4 502 B8R1.3 CC1=CN=C(C=C1)Br Z415645054 [1,1,0,0,0,0|1,0,0]=3 503 B8R1.3 CC1=CN=C(C=C1)N Z104475374 [1,1,0,0,0,0|1,0,0]=3 504 B8R1.3 CC1=CN=C(C=C1)O Z1255523405 [1,1,0,0,0,0|1,0,0]=3 505 B8R1.3 CC1=CN=C(C=C1)S Z271138132 [1,1,0,0,0,0|1,0,0]=3 506 B8R1.3 CC1=CN=C(N=C1)Br Z1098236936 [1,1,0,0,0,0|2,0,0]=4 507 B8R1.3 CC1=CN=C(N=C1)Cl Z1098236276 [1,1,0,0,0,0|2,0,0]=4 508 B8R1.3 CC1=CN=C(N=C1)F Z1198266630 [1,1,0,0,0,0|2,0,0]=4 509 B8R1.3 CC1=CN=C(N=C1)N Z801565598 [1,1,0,0,0,0|2,0,0]=4 510 B8R1.3 CC1=CN=C(N=C1)S Z1868163321 [1,1,0,0,0,0|2,0,0]=4 511 B8R1.3 CC1=CNC(=O)N=C1 Z1098236277 [1,1,0,0,0,0|2,0,0]=4 512 B8R1.3 CC1=NC=C(C=C1)N Z425834586 [1,1,0,0,0,0|1,0,0]=3 513 B8R1.3 CC1=NC=C(C=C1)O Z838078132 [1,1,0,0,0,0|1,0,0]=3 514 B8R1.3 CC1=NC=C(N=C1)Br Z1198181968 [1,1,0,0,0,0|0,0,0]=2 515 B8R1.3 CC1=NC=C(N=C1)Cl Z1198149378 [1,1,0,0,0,0|0,0,0]=2 516 B8R1.3 CC1=NC=C(N=C1)N Z1198177429 [1,1,0,0,0,0|0,0,0]=2 517 B8R1.3 CC1=NN=C(C=C1)Br Z802822146 [1,1,0,0,0,0|2,0,0]=4 518 B8R1.3 CC1=NN=C(C=C1)Cl Z432063474 [1,1,0,0,0,0|2,0,0]=4 519 B8R1.3 CC1=NN=C(C=C1)F Z1251352426 [1,1,0,0,0,0|2,0,0]=4 520 B8R1.3 CC1=NN=C(C=C1)I Z1209436744 [1,1,0,0,0,0|2,0,0]=4 521 B8R1.3 CC1=NN=C(N=C1)N Z1203578846 [1,1,0,0,0,0|1,0,0]=3 522 B8R1.3 CC1=NNC(=O)C=C1 Z1201023044 [1,1,0,0,0,0|2,0,0]=4 523 B8R1.3 ClC1=CN=C(C=C1)Br Z415645024 [1,1,0,0,0,0|2,0,0]=4 524 B8R1.3 ClC1=CN=C(C=N1)Cl Z1198164590 [1,1,0,0,0,0|1,0,0]=3 525 B8R1.3 ClC1=NC=C(C=C1)Br Z239604476 [1,1,0,0,0,0|2,0,0]=4 526 B8R1.3 ClC1=NC=C(N=C1)Br Z1198179757 [1,1,0,0,0,0|1,0,0]=3 527 B8R1.3 ClC1=NC=C(N=C1)I Z1269194601 [1,1,0,0,0,0|1,0,0]=3 528 B8R1.3 FC1=CN=C(C=C1)Cl Z1238544557 [1,1,0,0,0,0|2,0,0]=4 529 B8R1.3 FC1=NC=C(C=C1)Br Z977035742 [1,1,0,0,0,0|2,0,0]=4 530 B8R1.3 FC1=NC=C(N=C1)Cl Z1198220735 [1,1,0,0,0,0|1,0,0]=3 531 B8R1.3 NC1=CC=C(C=C1)O Z57127517 [1,1,0,0,0,0|2,0,0]=4 532 B8R1.3 NC1=CN=C(C=C1)Cl Z335436282 [1,1,0,0,0,0|2,0,0]=4 533 B8R1.3 NC1=CN=C(C=C1)I Z56788762 [1,1,0,0,0,0|2,0,0]=4 534 B8R1.3 NC1=CN=C(C=C1)N Z385438796 [1,1,0,0,0,0|2,0,0]=4 535 B8R1.3 NC1=CN=C(C=C1)O Z385458150 [1,1,0,0,0,0|1,0,0]=3 536 B8R1.3 NC1=NC=C(C=C1)Br Z57073814 [1,1,0,0,0,0|2,0,0]=4 537 B8R1.3 NC1=NC=C(C=C1)Cl Z104475596 [1,1,0,0,0,0|2,0,0]=4 538 B8R1.3 NC1=NC=C(C=C1)F Z223120142 [1,1,0,0,0,0|2,0,0]=4 539 B8R1.3 NC1=NC=C(C=N1)O Z1198175903 [1,1,0,0,0,0|2,0,0]=4 540 B8R1.3 OC1=CC=C(C=C1)Br Z57127362 [1,1,0,0,0,0|2,0,0]=4 541 B8R1.3 OC1=CC=C(C=C1)Cl Z104473434 [1,1,0,0,0,0|2,0,0]=4 542 B8R1.3 OC1=CC=C(C=C1)I Z104496300 [1,1,0,0,0,0|2,0,0]=4 543 B8R1.3 OC1=CC=C(C=C1)O Z57127551 [1,1,0,0,0,0|2,0,0]=4 544 B8R1.3 OC1=CN=C(C=C1)Br Z1201622821 [1,1,0,0,0,0|1,0,0]=3 545 B8R1.3 OC1=CN=C(C=C1)I Z1269183606 [1,1,0,0,0,0|1,0,0]=3 546 B8R1.3 OC1=CN=C(C=C1)O Z1198152559 [1,1,0,0,0,0|1,0,0]=3 547 B8R1.3 OC1=NC=C(C=C1)Cl Z2235409237 [1,1,0,0,0,0|1,0,0]=3 548 B8R1.3 OC1=NC=C(C=C1)F Z594267896 [1,1,0,0,0,0|1,0,0]=3 549 B8R1.3 OC1=NC=C(C=C1)I Z1269227573 [1,1,0,0,0,0|1,0,0]=3 550 B8R1.3 SC1=NC=C(C=C1)Cl Z271138142 [1,1,0,0,0,0|1,1,0]=4 551 B8R1.4 BrC1=CC(=CN=C1)I Z1269188472 [1,1,0,0,0,0|2,0,0]=4 552 B8R1.4 BrC1=CN=CC(=C1)Br Z57070461 [1,1,0,0,0,0|2,0,0]=4 553 B8R1.4 CC1=CC(=CC=C1)F Z104474044 [1,1,0,0,0,0|2,0,0]=4 554 B8R1.4 CC1=CC(=CC=C1)N Z57127904 [1,1,0,0,0,0|2,0,0]=4 555 B8R1.4 CC1=CC(=CC=C1)O Z104473820 [1,1,0,0,0,0|2,0,0]=4 556 B8R1.4 CC1=CC(=CN=C1)Br Z1255461727 [1,1,0,0,0,0|1,0,0]=3 557 B8R1.4 CC1=CC(=NC=C1)Br Z851792570 [1,1,0,0,0,0|2,0,0]=4 558 B8R1.4 CC1=CC(=NC=C1)N Z203045032 [1,1,0,0,0,0|2,0,0]=4 559 B8R1.4 CC1=CC(=NC=C1)S Z851791760 [1,1,0,0,0,0|1,1,0]=4 560 B8R1.4 CC1=CC(=NN=C1)Cl Z1201625142 [1,1,0,0,0,0|2,0,0]=4 561 B8R1.4 CC1=CC(=NN=C1)N Z1198278271 [1,1,0,0,0,0|2,0,0]=4 562 B8R1.4 CC1=CC(=NN=C1)O Z1198278270 [1,1,0,0,0,0|2,0,0]=4 563 B8R1.4 CC1=CC=CC(=C1)C Z199056430 [1,1,0,0,0,0|2,0,0]=4 564 B8R1.4 CC1=CC=CC(=N1)C Z104472820 [1,1,0,0,0,0|1,0,0]=3 565 B8R1.4 CC1=CC=CC(=O)N1 Z600389900 [1,1,0,0,0,0|1,0,1]=4 566 B8R1.4 CC1=NC(=CC=C1)Br Z600403652 [1,1,0,0,0,0|1,0,0]=3 567 B8R1.4 CC1=NC(=CC=C1)N Z104476000 [1,1,0,0,0,0|1,0,0]=3 568 B8R1.4 CC1=NC(=CC=N1)Br Z1013760006 [1,1,0,0,0,0|2,0,0]=4 569 B8R1.4 CC1=NC(=CC=N1)Cl Z445153084 [1,1,0,0,0,0|2,0,0]=4 570 B8R1.4 CC1=NC(=CN=C1)Br Z1255361267 [1,1,0,0,0,0|0,0,0]=2 571 B8R1.4 CC1=NC(=CN=C1)Cl Z1162448376 [1,1,0,0,0,0|0,0,0]=2 572 B8R1.4 CC1=NC(=CN=C1)F Z1862003526 [1,1,0,0,0,0|0,0,0]=2 573 B8R1.4 CC1=NC(=CN=C1)N Z1203578408 [1,1,0,0,0,0|0,0,0]=2 574 B8R1.4 CC1=NC(=N)C=CN1 Z2092177023 [1,1,0,0,0,0|2,0,0]=4 575 B8R1.4 CC1=NC(=NC=C1)Br Z1065587482 [1,1,0,0,0,0|2,0,0]=4 576 B8R1.4 CC1=NC(=NC=C1)Cl Z1065586248 [1,1,0,0,0,0|2,0,0]=4 577 B8R1.4 CC1=NC(=NC=C1)N Z104500640 [1,1,0,0,0,0|2,0,0]=4 578 B8R1.4 CC1=NC(=NN=C1)N Z381019664 [1,1,0,0,0,0|1,0,0]=3 579 B8R1.4 CC1=NC(=O)C=CN1 Z1269638492 [1,1,0,0,0,0|2,0,0]=4 580 B8R1.4 CC1=NC(=O)NC=C1 Z1065584884 [1,1,0,0,0,0|2,0,0]=4 581 B8R1.4 CC1=NC=CC(=C1)[S-] Z3014227847 [1,1,0,0,0,0|1,0,0]=3 582 B8R1.4 CC1=NC=NC(=C1)Br Z787349642 [1,1,0,0,0,0|2,0,0]=4 583 B8R1.4 CC1=NC=NC(=C1)Cl Z787326738 [1,1,0,0,0,0|2,0,0]=4 584 B8R1.4 CC1=NC=NC(=C1)N Z787349196 [1,1,0,0,0,0|2,0,0]=4 585 B8R1.4 CC1=NC=NC(=C1)O Z314661966 [1,1,0,0,0,0|2,0,0]=4 586 B8R1.4 CC1=NN=CC(=C1)N Z2462827969 [1,1,0,0,0,0|2,0,0]=4 587 B8R1.4 ClC1=CN=CC(=N1)Cl Z217291786 [1,1,0,0,0,0|1,0,0]=3 588 B8R1.4 ClC1=NC=CC(=C1)Br Z1255461858 [1,1,0,0,0,0|2,0,0]=4 589 B8R1.4 FC1=CC(=CN=C1)I Z1269109329 [1,1,0,0,0,0|2,0,0]=4 590 B8R1.4 FC1=NC(=CN=C1)Cl Z1255444361 [1,1,0,0,0,0|1,0,0]=3 591 B8R1.4 NC1=CC(=CC=C1)O Z104473438 [1,1,0,0,0,0|2,0,0]=4 592 B8R1.4 NC1=CC(=CN=C1)Cl Z2830704581 [1,1,0,0,0,0|2,0,0]=4 593 B8R1.4 NC1=CC(=CN=C1)F Z1201619910 [1,1,0,0,0,0|2,0,0]=4 594 B8R1.4 NC1=CC(=NC=C1)Cl Z217306542 [1,1,0,0,0,0|2,0,0]=4 595 B8R1.4 NC1=CC(=NC=C1)N Z851810344 [1,1,0,0,0,0|2,0,0]=4 596 B8R1.4 NC1=CC(=NC=C1)O Z851811376 [1,1,0,0,0,0|1,0,0]=3 597 B8R1.4 NC1=CC=CC(=N1)N Z104495224 [1,1,0,0,0,0|2,0,0]=4 598 B8R1.4 NC1=CN=CC(=C1)N Z3158827045 [1,1,0,0,0,0|2,0,0]=4 599 B8R1.4 NC1=CN=CC(=O)N1 Z2756879989 [1,1,0,0,0,0|0,0,2]=4 600 B8R1.4 NC1=NC(=CC=C1)Br Z425864750 [1,1,0,0,0,0|2,0,0]=4 601 B8R1.4 NC1=NC(=CN=C1)Cl Z850999210 [1,1,0,0,0,0|1,0,0]=3 602 B8R1.4 NC1=NC(=NC=C1)O Z203045338 [1,1,0,0,0,0|2,0,0]=4 603 B8R1.4 NC1=NC(=O)C=NN1 Z1203579074 [1,1,0,0,0,0|1,0,1]=4 604 B8R1.4 NC1=NC=CC(=C1)F Z2513334082 [1,1,0,0,0,0|2,0,0]=4 605 B8R1.4 NC1=NC=CC(=C1)O Z1198164201 [1,1,0,0,0,0|2,0,0]=4 606 B8R1.4 O=C1C=C(C=NN1)O Z1198169122 [1,1,0,0,0,0|2,0,0]=4 607 B8R1.4 O=C1C=COC(=C1)O Z1198306031 [1,1,0,0,0,0|2,0,0]=4 608 B8R1.4 O=C1C=NNC(=N1)S Z2867502109 [1,1,0,0,0,0|1,0,1]=4 609 B8R1.4 OC1=CC(=CC=C1)Br Z104473834 [1,1,0,0,0,0|2,0,0]=4 610 B8R1.4 OC1=CC(=CC=C1)Cl Z104473668 [1,1,0,0,0,0|2,0,0]=4 611 B8R1.4 OC1=CC(=CC=C1)I Z104485566 [1,1,0,0,0,0|2,0,0]=4 612 B8R1.4 OC1=CC(=CN=C1)Br Z1172207821 [1,1,0,0,0,0|1,0,0]=3 613 B8R1.4 OC1=CC(=CN=C1)I Z1269207182 [1,1,0,0,0,0|1,0,0]=3 614 B8R1.4 OC1=CC(=NC=C1)O Z3225946514 [1,1,0,0,0,0|1,0,0]=3 615 B8R1.4 OC1=CC=CC(=C1)O Z104474576 [1,1,0,0,0,0|2,0,0]=4 616 B8R1.4 OC1=CN=CC(=C1)O Z1198158915 [1,1,0,0,0,0|1,0,0]=3 617 B8R1.4 [O-][N+]1=CC(=NC=C1)Cl Z1255465409 [1,1,0,0,0,0|1,0,1]=4 618 B8R1.5 BrC1=C(C=CN=C1)I Z1269120686 [1,1,0,0,0,0|2,0,0]=4 619 B8R1.5 CC1=C(C=CC=C1)C Z212053190 [1,1,0,0,0,0|2,0,0]=4 620 B8R1.5 CC1=C(C=CC=C1)F Z104474026 [1,1,0,0,0,0|2,0,0]=4 621 B8R1.5 CC1=C(C=CC=C1)N Z57127943 [1,1,0,0,0,0|2,0,0]=4 622 B8R1.5 CC1=C(C=CC=C1)O Z104473822 [1,1,0,0,0,0|2,0,0]=4 623 B8R1.5 CC1=C(C=CC=N1)I Z1269190410 [1,1,0,0,0,0|1,0,0]=3 624 B8R1.5 CC1=C(C=CN=C1)Br Z1201621264 [1,1,0,0,0,0|1,0,0]=3 625 B8R1.5 CC1=C(C=CN=N1)N Z1964347676 [1,1,0,0,0,0|2,0,0]=4 626 B8R1.5 CC1=C(C=NC=C1)Br Z1255379175 [1,1,0,0,0,0|2,0,0]=4 627 B8R1.5 CC1=C(C=NC=C1)N Z625801040 [1,1,0,0,0,0|2,0,0]=4 628 B8R1.5 CC1=C(C=NN=C1)N Z1203587249 [1,1,0,0,0,0|2,0,0]=4 629 B8R1.5 CC1=C(N=CC=C1)Br Z968908232 [1,1,0,0,0,0|1,0,0]=3 630 B8R1.5 CC1=C(N=CC=C1)C Z104472816 [1,1,0,0,0,0|1,0,0]=3 631 B8R1.5 CC1=C(N=CC=C1)N Z203045034 [1,1,0,0,0,0|1,0,0]=3 632 B8R1.5 CC1=C(N=CC=C1)S Z968907338 [1,1,0,0,0,0|1,0,0]=3 633 B8R1.5 CC1=C(N=CC=N1)Br Z1198181977 [1,1,0,0,0,0|0,0,0]=2 634 B8R1.5 CC1=C(N=CC=N1)C Z448248230 [1,1,0,0,0,0|0,0,0]=2 635 B8R1.5 CC1=C(N=CC=N1)Cl Z1198147877 [1,1,0,0,0,0|0,0,0]=2 636 B8R1.5 CC1=C(N=CC=N1)F Z1551948468 [1,1,0,0,0,0|0,0,0]=2 637 B8R1.5 CC1=C(N=CC=N1)N Z3068686273 [1,1,0,0,0,0|0,0,0]=2 638 B8R1.5 CC1=C(N=CC=N1)O Z1198157257 [1,1,0,0,0,0|0,0,0]=2 639 B8R1.5 CC1=C(N=CN=C1)C Z2760929781 [1,1,0,0,0,0|2,0,0]=4 640 B8R1.5 CC1=C(N=CN=C1)Cl Z1198176691 [1,1,0,0,0,0|2,0,0]=4 641 B8R1.5 CC1=C(N=NC=C1)Cl Z1198179855 [1,1,0,0,0,0|2,0,0]=4 642 B8R1.5 CC1=CC=CNC1=O Z1013766914 [1,1,0,0,0,0|1,0,1]=4 643 B8R1.5 CC1=CNC=CC1=N Z1263529539 [1,1,0,0,0,0|1,0,1]=4 644 B8R1.5 CC1=[N+](C=CC=C1)C Z56791140 [1,1,0,0,0,0|1,0,1]=4 645 B8R1.5 CC1=[N+](C=CC=C1)N Z57931449 [1,1,0,0,0,0|1,0,1]=4 646 B8R1.5 CN1C=CC=NC1=O Z1198218328 [1,1,0,0,0,0|2,0,0]=4 647 B8R1.5 ClC1=C(C=CC=N1)Br Z808600354 [1,1,0,0,0,0|2,0,0]=4 648 B8R1.5 ClC1=C(C=NC=C1)Cl Z1575308475 [1,1,0,0,0,0|2,0,0]=4 649 B8R1.5 ClC1=C(N=CC=C1)Br Z415645050 [1,1,0,0,0,0|2,0,0]=4 650 B8R1.5 ClC1=C(N=CC=C1)Cl Z164708870 [1,1,0,0,0,0|2,0,0]=4 651 B8R1.5 ClC1=C(N=CC=N1)Br Z1255362476 [1,1,0,0,0,0|1,0,0]=3 652 B8R1.5 ClC1=C(N=CC=N1)Cl Z850504018 [1,1,0,0,0,0|1,0,0]=3 653 B8R1.5 ClC1=C(N=CC=N1)I Z1813099369 [1,1,0,0,0,0|1,0,0]=3 654 B8R1.5 FC1=C(C=CC=N1)I Z1238548161 [1,1,0,0,0,0|2,0,0]=4 655 B8R1.5 FC1=C(C=CN=C1)I Z1269153298 [1,1,0,0,0,0|2,0,0]=4 656 B8R1.5 FC1=C(N=CC=C1)Br Z997724396 [1,1,0,0,0,0|2,0,0]=4 657 B8R1.5 FC1=C(N=CC=C1)Cl Z850328566 [1,1,0,0,0,0|2,0,0]=4 658 B8R1.5 FC1=C(N=CC=N1)Cl Z1551935456 [1,1,0,0,0,0|1,0,0]=3 659 B8R1.5 NC1=C(C=CC=C1)O Z57127952 [1,1,0,0,0,0|2,0,0]=4 660 B8R1.5 NC1=C(C=CC=N1)I Z363805876 [1,1,0,0,0,0|2,0,0]=4 661 B8R1.5 NC1=C(C=CC=N1)O Z104495292 [1,1,0,0,0,0|1,0,0]=3 662 B8R1.5 NC1=C(C=CN=C1)Cl Z1198095644 [1,1,0,0,0,0|2,0,0]=4 663 B8R1.5 NC1=C(C=CN=C1)O Z370653926 [1,1,0,0,0,0|2,0,0]=4 664 B8R1.5 NC1=C(C=NC=C1)Cl Z56914824 [1,1,0,0,0,0|2,0,0]=4 665 B8R1.5 NC1=C(C=NC=C1)N Z385438794 [1,1,0,0,0,0|2,0,0]=4 666 B8R1.5 NC1=C(C=NC=C1)O Z1664348606 [1,1,0,0,0,0|1,0,0]=3 667 B8R1.5 NC1=C(N=CC=C1)Cl Z104475710 [1,1,0,0,0,0|2,0,0]=4 668 B8R1.5 NC1=C(N=CC=C1)N Z385438806 [1,1,0,0,0,0|2,0,0]=4 669 B8R1.5 NC1=C(N=CC=C1)O Z969560564 [1,1,0,0,0,0|1,0,0]=3 670 B8R1.5 NC1=C(N=CC=C1)S Z411993618 [1,1,0,0,0,0|1,1,0]=4 671 B8R1.5 NC1=C(N=CC=N1)N Z1198174211 [1,1,0,0,0,0|1,0,0]=3 672 B8R1.5 NC1=C(N=CC=N1)S Z1203579756 [1,1,0,0,0,0|0,1,0]=3 673 B8R1.5 NC1=NC=CNC1=O Z3225902419 [1,1,0,0,0,0|0,0,2]=4 674 B8R1.5 O=C1C=COC=C1O Z1198235068 [1,1,0,0,0,0|2,0,0]=4 675 B8R1.5 O=C1NC=CC=C1O Z104495360 [1,1,0,0,0,0|1,0,1]=4 676 B8R1.5 O=C1OC=CC=C1O Z1198156687 [1,1,0,0,0,0|2,0,0]=4 677 B8R1.5 OC1=C(C=CC=C1)Br Z56347198 [1,1,0,0,0,0|2,0,0]=4 678 B8R1.5 OC1=C(C=CC=C1)Cl Z104473270 [1,1,0,0,0,0|2,0,0]=4 679 B8R1.5 OC1=C(C=CC=C1)I Z384970702 [1,1,0,0,0,0|2,0,0]=4 680 B8R1.5 OC1=C(C=CC=C1)O Z104473810 [1,1,0,0,0,0|2,0,0]=4 681 B8R1.5 OC1=C(C=CC=N1)F Z850327726 [1,1,0,0,0,0|1,0,0]=3 682 B8R1.5 OC1=C(C=NC=N1)Cl Z1198222685 [1,1,0,0,0,0|2,0,0]=4 683 B8R1.5 OC1=C(N=CC=C1)F Z1198164106 [1,1,0,0,0,0|1,0,0]=3 684 B8R1.5 SC1=C(C=CC=N1)Br Z808603100 [1,1,0,0,0,0|1,1,0]=4 685 B8R1.5 SC1=C(C=CC=N1)Cl Z220567008 [1,1,0,0,0,0|1,1,0]=4 686 B8R1.1 CCC1=CC(=CS1)Br Z1255374735 [0,1,0,0,1,0|2,0,0]=4 687 B8R1.1 CCC1=CC(=NN1)O Z1198163105 [0,1,0,0,1,0|2,0,0]=4 688 B8R1.1 CCC1=CN=C(O1)N Z994289172 [0,1,0,0,1,0|2,0,0]=4 689 B8R1.1 CCC1=CN=C(S1)N Z851799002 [0,1,0,0,1,0|2,0,0]=4 690 B8R1.1 CCC1=CSC(=N1)Cl Z1037582854 [0,1,0,0,1,0|2,0,0]=4 691 B8R1.1 CCC1=CSC(=N1)N Z1263824431 [0,1,0,0,1,0|2,0,0]=4 692 B8R1.1 CCC1=NC(=NS1)N Z1203581808 [0,1,0,0,1,0|2,0,0]=4 693 B8R1.1 CCC1=NNC(=C1)N Z360168062 [0,1,0,0,1,0|2,0,0]=4 694 B8R1.1 CCC1=NNC(=N1)C Z1271843082 [0,1,0,0,1,0|2,0,0]=4 695 B8R1.1 CCC1=NNC(=N1)N Z1431904363 [0,1,0,0,1,0|2,0,0]=4 696 B8R1.1 CCC1=NNC(=N1)S Z55982179 [0,1,0,0,1,0|2,0,0]=4 697 B8R1.1 CCC1=NOC(=C1)N Z360168622 [0,1,0,0,1,0|2,0,0]=4 698 B8R1.1 CCC1=NOC(=N1)N Z991477732 [0,1,0,0,1,0|2,0,0]=4 699 B8R1.1 CCN1C=C(C=N1)O Z1165304366 [0,1,0,0,1,0|2,0,0]=4 700 B8R1.1 CCN1C=CC(=N1)C Z2696515582 [0,1,0,0,1,0|2,0,0]=4 701 B8R1.1 CCN1C=CC(=N1)O Z2941655720 [0,1,0,0,1,0|2,0,0]=4 702 B8R1.1 CCN1C=NC(=C1)N Z2313530831 [0,1,0,0,1,0|2,0,0]=4 703 B8R1.1 CCN1C=NC(=N1)N Z600615070 [0,1,0,0,1,0|2,0,0]=4 704 B8R1.1 CCN1N=CC(=N1)N Z3244908712 [0,1,0,0,1,0|2,0,0]=4 705 B8R1.1 CNC1=CN(N=C1)C Z1255523371 [0,1,0,0,1,0|2,0,0]=4 706 B8R1.1 CNC1=NC(=CS1)C Z48860943 [0,1,0,0,1,0|2,0,0]=4 707 B8R1.1 CNC1=NC(=NN1)N Z1483956641 [0,1,0,0,1,0|2,0,0]=4 708 B8R1.1 CNC1=NC(=NS1)C Z1203731956 [0,1,0,0,1,0|2,0,0]=4 709 B8R1.1 CNC1=NC=C(S1)C Z3333486563 [0,1,0,0,1,0|2,0,0]=4 710 B8R1.1 CNC1=NN(C=C1)C Z1723633645 [0,1,0,0,1,0|2,0,0]=4 711 B8R1.1 CNC1=NOC(=C1)C Z3069017324 [0,1,0,0,1,0|2,0,0]=4 712 B8R1.1 COC1=CC(=NN1)C Z1813157463 [0,1,0,0,1,0|1,0,0]=3 713 B8R1.1 COC1=CC(=O)CC1 Z871868704 [0,1,0,0,1,0|1,0,1]=4 714 B8R1.1 COC1=CC(=O)NC1 Z1203730872 [0,1,0,0,1,0|0,0,2]=4 715 B8R1.1 COC1=NC(=NN1)N Z1203581724 [0,1,0,0,1,0|1,0,0]=3 716 B8R1.1 COC1=NNC(=C1)N Z2658869770 [0,1,0,0,1,0|1,0,0]=3 717 B8R1.1 COC1=NSC(=C1)N Z3004727765 [0,1,0,0,1,0|1,0,0]=3 718 B8R1.1 CSC1=NC(=NN1)C Z3223608753 [0,1,0,0,1,0|1,1,0]=4 719 B8R1.1 CSC1=NSC(=N1)N Z96092037 [0,1,0,0,1,0|1,1,0]=4 720 B8R1.7 CC(=O)C1=CC=CN1 Z56899162 [0,1,0,0,1,0|1,0,1]=4 721 B8R1.7 CC(=O)C1=CC=CS1 Z57127896 [0,1,0,0,1,0|2,0,0]=4 722 B8R1.7 CC(=O)C1=CN=CO1 Z1255430875 [0,1,0,0,1,0|2,0,0]=4 723 B8R1.7 CC(=O)C1=CNC=C1 Z1154253452 [0,1,0,0,1,0|1,0,1]=4 724 B8R1.7 CC(=O)C1=CNC=N1 Z1198183596 [0,1,0,0,1,0|1,0,1]=4 725 B8R1.7 CC(=O)C1=CNN=C1 Z1966569327 [0,1,0,0,1,0|2,0,0]=4 726 B8R1.7 CC(=O)C1=COC=C1 Z1137167495 [0,1,0,0,1,0|2,0,0]=4 727 B8R1.7 CC(=O)C1=COC=N1 Z1255437997 [0,1,0,0,1,0|2,0,0]=4 728 B8R1.7 CC(=O)C1=CSC=C1 Z513734012 [0,1,0,0,1,0|2,0,0]=4 729 B8R1.7 CC(=O)C1=CSC=N1 Z1198162939 [0,1,0,0,1,0|2,0,0]=4 730 B8R1.7 CC(=O)C1=NC=CN1 Z2768175711 [0,1,0,0,1,0|1,0,1]=4 731 B8R1.7 CC(=O)C1=NC=CO1 Z1198173545 [0,1,0,0,1,0|2,0,0]=4 732 B8R1.7 CC(=O)C1=NC=CS1 Z1069877574 [0,1,0,0,1,0|2,0,0]=4 733 B8R1.7 CC(=O)C1=NNC=C1 Z1201023059 [0,1,0,0,1,0|2,0,0]=4 734 B8R1.7 CC(=O)C1=NNC=N1 Z1216858052 [0,1,0,0,1,0|2,0,0]=4 735 B8R1.7 CC(=O)C1=NSC=C1 Z1513630804 [0,1,0,0,1,0|2,0,0]=4 736 B8R1.7 CC(=O)N1C=CN=C1 Z1255402643 [0,1,0,0,1,0|2,0,0]=4 737 B8R1.7 CC(C)C1=CC=CS1 Z1198727220 [0,1,0,0,1,0|2,0,0]=4 738 B8R1.7 CC(C)C1=CNN=C1 Z2418194166 [0,1,0,0,1,0|2,0,0]=4 739 B8R1.7 CC(C)C1=NC=CN1 Z335243296 [0,1,0,0,1,0|1,0,1]=4 740 B8R1.7 CC(C)C1=NNC=C1 Z815437700 [0,1,0,0,1,0|2,0,0]=4 741 B8R1.7 CC(C)N1C=CC=N1 Z802540402 [0,1,0,0,1,0|2,0,0]=4 742 B8R1.7 CC(N)C1=CC=CN1 Z1198171808 [0,1,0,0,1,0|1,0,1]=4 743 B8R1.7 CC(N)C1=CC=CO1 Z89283368 [0,1,0,0,1,0|2,0,0]=4 744 B8R1.7 CC(N)C1=CC=CS1 Z119974474 [0,1,0,0,1,0|2,0,0]=4 745 B8R1.7 CC(N)C1=CC=NN1 Z362020428 [0,1,0,0,1,0|2,0,0]=4 746 B8R1.7 CC(N)C1=CC=NS1 Z2687575410 [0,1,0,0,1,0|2,0,0]=4 747 B8R1.7 CC(N)C1=CNC=N1 Z1198180341 [0,1,0,0,1,0|1,0,1]=4 748 B8R1.7 CC(N)C1=CNN=C1 Z4606013370 [0,1,0,0,1,0|2,0,0]=4 749 B8R1.7 CC(N)C1=COC=C1 Z1436472920 [0,1,0,0,1,0|2,0,0]=4 750 B8R1.7 CC(N)C1=COC=N1 Z3629373018 [0,1,0,0,1,0|2,0,0]=4 751 B8R1.7 CC(N)C1=CSC=C1 Z513796194 [0,1,0,0,1,0|2,0,0]=4 752 B8R1.7 CC(N)C1=CSN=C1 Z3486644530 [0,1,0,0,1,0|2,0,0]=4 753 B8R1.7 CC(N)C1=NC=CO1 Z1962224571 [0,1,0,0,1,0|2,0,0]=4 754 B8R1.7 CC(N)C1=NC=CS1 Z803082278 [0,1,0,0,1,0|2,0,0]=4 755 B8R1.7 CC(N)C1=NNC=N1 Z1274177567 [0,1,0,0,1,0|2,0,0]=4 756 B8R1.7 CC(O)C1=CC=CS1 Z335245078 [0,1,0,0,1,0|2,0,0]=4 757 B8R1.7 CC(O)C1=CNC=N1 Z1198180340 [0,1,0,0,1,0|1,0,1]=4 758 B8R1.7 CC(O)C1=NC=CN1 Z4326395573 [0,1,0,0,1,0|1,0,1]=4 759 B8R1.7 CC(O)C1=NC=CS1 Z1069884516 [0,1,0,0,1,0|2,0,0]=4 760 B8R1.7 CC(O)C1=NNC=C1 Z655071084 [0,1,0,0,1,0|2,0,0]=4 761 B8R1.7 C[C@@H](N)C1=NC=CN1 Z2472857467 [0,1,0,0,1,0|1,0,1]=4 762 B8R1.7 C[C@@H](O)C1=CN=CS1 Z1217177234 [0,1,0,0,1,0|2,0,0]=4 763 B8R1.7 C[C@H](N)C1=CC=CO1 Z1407007556 [0,1,0,0,1,0|2,0,0]=4 764 B8R1.7 C[C@H](N)C1=NC=CN1 Z2205958486 [0,1,0,0,1,0|1,0,1]=4 765 B8R1.8 CCCC1=CNN=C1 Z1263714332 [0,1,0,0,1,0|2,0,0]=4 766 B8R1.8 CCCC1=NC=CN1 Z1201043633 [0,1,0,0,1,0|1,0,1]=4 767 B8R1.8 CCCC1=NNC=N1 Z803077816 [0,1,0,0,1,0|2,0,0]=4 768 B8R1.8 CCNC1=NC=CN1 Z1463350447 [0,1,0,0,1,0|1,0,1]=4 769 B8R1.8 CCNC1=NC=CS1 Z86243266 [0,1,0,0,1,0|2,0,0]=4 770 B8R1.8 CCNC1=NC=NN1 Z1203735308 [0,1,0,0,1,0|2,0,0]=4 771 B8R1.8 CCOC1=CNN=C1 Z1726113833 [0,1,0,0,1,0|1,0,0]=3 772 B8R1.8 CCOC1=NNC=C1 Z1416187675 [0,1,0,0,1,0|1,0,0]=3 773 B8R1.8 CNCC1=CC=CN1 Z102767010 [0,1,0,0,1,0|1,0,1]=4 774 B8R1.8 CNCC1=CC=CO1 Z57051072 [0,1,0,0,1,0|2,0,0]=4 775 B8R1.8 CNCC1=CC=CS1 Z56948283 [0,1,0,0,1,0|2,0,0]=4 776 B8R1.8 CNCC1=CNN=C1 Z1267881670 [0,1,0,0,1,0|2,0,0]=4 777 B8R1.8 CNCC1=COC=C1 Z385447092 [0,1,0,0,1,0|2,0,0]=4 778 B8R1.8 CNCC1=CSC=C1 Z57206125 [0,1,0,0,1,0|2,0,0]=4 779 B8R1.8 CNCC1=CSC=N1 Z138108610 [0,1,0,0,1,0|2,0,0]=4 780 B8R1.8 CNCC1=NC=CN1 Z445210554 [0,1,0,0,1,0|1,0,1]=4 781 B8R1.8 CNCC1=NC=CO1 Z5810628036 [0,1,0,0,1,0|2,0,0]=4 782 B8R1.8 CNCC1=NC=CS1 Z802607826 [0,1,0,0,1,0|2,0,0]=4 783 B8R1.8 CNCC1=NNC=C1 Z445185804 [0,1,0,0,1,0|2,0,0]=4 784 B8R1.8 CNCC1=NOC=C1 Z802903302 [0,1,0,0,1,0|2,0,0]=4 785 B8R1.8 CNCC1=NOC=N1 Z2143572220 [0,1,0,0,1,0|2,0,0]=4 786 B8R1.8 COCC1=CNC=N1 Z1203733599 [0,1,0,0,1,0|0,0,1]=3 787 B8R1.8 COCC1=NC=CN1 Z1203733422 [0,1,0,0,1,0|0,0,1]=3 788 B8R1.8 COCC1=NN=NN1 Z1000888 [0,1,0,0,1,0|2,0,0]=4 789 B8R1.8 COCC1=NNC=C1 Z1270114780 [0,1,0,0,1,0|1,0,0]=3 790 B8R1.8 COCC1=NNC=N1 Z1201627056 [0,1,0,0,1,0|1,0,0]=3 791 B8R1.8 ClCCN1C=CN=C1 Z94599643 [0,1,0,0,1,0|2,0,0]=4 792 B8R1.8 NCCC1=CC=CN1 Z810507730 [0,1,0,0,1,0|1,0,1]=4 793 B8R1.8 NCCC1=CC=CO1 Z1694636467 [0,1,0,0,1,0|2,0,0]=4 794 B8R1.8 NCCC1=CC=CS1 Z90662945 [0,1,0,0,1,0|2,0,0]=4 795 B8R1.8 NCCC1=CC=NS1 Z2768432862 [0,1,0,0,1,0|2,0,0]=4 796 B8R1.8 NCCC1=CNC=N1 Z1267773750 [0,1,0,0,1,0|1,0,1]=4 797 B8R1.8 NCCC1=CNN=C1 Z336080532 [0,1,0,0,1,0|2,0,0]=4 798 B8R1.8 NCCC1=COC=C1 Z2310701825 [0,1,0,0,1,0|2,0,0]=4 799 B8R1.8 NCCC1=NC=CO1 Z4925106850 [0,1,0,0,1,0|2,0,0]=4 800 B8R1.8 NCCC1=NC=CS1 Z2724334997 [0,1,0,0,1,0|2,0,0]=4 801 B8R1.8 NCCC1=NNC=C1 Z2867120994 [0,1,0,0,1,0|2,0,0]=4 802 B8R1.8 NCCC1=NOC=N1 Z1262691677 [0,1,0,0,1,0|2,0,0]=4 803 B8R1.8 NCCN1C=CC=N1 Z271005714 [0,1,0,0,1,0|2,0,0]=4 804 B8R1.8 NCCN1C=CN=C1 Z147642864 [0,1,0,0,1,0|2,0,0]=4 805 B8R1.8 NCCN1C=NC=N1 Z381061410 [0,1,0,0,1,0|2,0,0]=4 806 B8R1.8 OCCC1=CC=CO1 Z1179944660 [0,1,0,0,1,0|2,0,0]=4 807 B8R1.8 OCCC1=CC=CS1 Z397587354 [0,1,0,0,1,0|2,0,0]=4 808 B8R1.8 OCCC1=CN=CS1 Z1198334159 [0,1,0,0,1,0|2,0,0]=4 809 B8R1.8 OCCC1=CNN=C1 Z1333876037 [0,1,0,0,1,0|2,0,0]=4 810 B8R1.8 OCCC1=COC=C1 Z1179944659 [0,1,0,0,1,0|2,0,0]=4 811 B8R1.8 OCCC1=CSC=C1 Z397587098 [0,1,0,0,1,0|2,0,0]=4 812 B8R1.8 OCCC1=CSC=N1 Z1263714384 [0,1,0,0,1,0|2,0,0]=4 813 B8R1.8 OCCN1C=CC=N1 Z425794824 [0,1,0,0,1,0|2,0,0]=4 814 B8R1.8 OCCN1C=NC=N1 Z234898253 [0,1,0,0,1,0|2,0,0]=4 815 B8R1.11 CCC1=CNN=C1N Z1741979116 [0,1,0,0,1,0|2,0,0]=4 816 B8R1.11 CCC1=CSC=C1N Z4935394961 [0,1,0,0,1,0|2,0,0]=4 817 B8R1.11 CCC1=NON=C1N Z359374178 [0,1,0,0,1,0|2,0,0]=4 818 B8R1.11 CCC1=NSC=C1N Z5711193458 [0,1,0,0,1,0|2,0,0]=4 819 B8R1.11 CCN1C=CN=C1N Z594268182 [0,1,0,0,1,0|2,0,0]=4 820 B8R1.11 CCN1C=CN=C1S Z220434788 [0,1,0,0,1,0|2,0,0]=4 821 B8R1.11 CCN1N=CC=C1N Z56347291 [0,1,0,0,1,0|2,0,0]=4 822 B8R1.11 CNC1=CC=NN1C Z1259162018 [0,1,0,0,1,0|2,0,0]=4 823 B8R1.11 COC1=C(C=NN1)N Z3243444154 [0,1,0,0,1,0|1,0,0]=3 824 B8R1.11 COC1=NNC=C1C Z2943419549 [0,1,0,0,1,0|1,0,0]=3 825 B8R1.11 COC1=NSC=C1N Z2768512024 [0,1,0,0,1,0|1,0,0]=3 826 B8R1.11 CSC1=CNN=C1N Z802600050 [0,1,0,0,1,0|1,1,0]=4 827 B8R1.11 CSC1=NC=CN1C Z18499760 [0,1,0,0,1,0|0,1,1]=4 828 B10R1.1 CC1=NC=C(C=C1)CCN Z600584220 [0,2,0,0,0,0|2,0,0]=4 829 B10R1.1 CC1=NC=C(N=C1)CCO Z1504684184 [0,2,0,0,0,0|1,0,0]=3 830 B10R1.1 CCNC1=NC=C(C=C1)Br Z359297778 [0,2,0,0,0,0|2,0,0]=4 831 B10R1.1 CCNC1=NC=C(C=C1)I Z2233927789 [0,2,0,0,0,0|2,0,0]=4 832 B10R1.1 CCOC1=CC=C(C=C1)C Z53834228 [0,2,0,0,0,0|2,0,0]=4 833 B10R1.1 CCOC1=CC=C(C=C1)N Z57127438 [0,2,0,0,0,0|2,0,0]=4 834 B10R1.1 CCOC1=CC=C(C=C1)S Z166646982 [0,2,0,0,0,0|2,0,0]=4 835 B10R1.1 CCOC1=NC=C(C=C1)N Z240084310 [0,2,0,0,0,0|1,0,0]=3 836 B10R1.1 CCOC1=NC=C(C=N1)Cl Z1222423631 [0,2,0,0,0,0|2,0,0]=4 837 B10R1.1 CCOC1=NN=C(C=C1)Cl Z291235530 [0,2,0,0,0,0|2,0,0]=4 838 B10R1.1 CCSC1=NC=C(C=C1)Br Z742922262 [0,2,0,0,0,0|1,1,0]=4 839 B10R1.1 CCSC1=NC=C(C=C1)N Z332377604 [0,2,0,0,0,0|1,1,0]=4 840 B10R1.1 CNCC1=CN=C(C=C1)Cl Z265498862 [0,2,0,0,0,0|2,0,0]=4 841 B10R1.1 CNCC1=CN=C(C=C1)F Z1745074466 [0,2,0,0,0,0|2,0,0]=4 842 B10R1.1 CNCC1=CN=C(C=C1)N Z1255388567 [0,2,0,0,0,0|2,0,0]=4 843 B10R1.1 CNCC1=NC=C(C=C1)Br Z5436471179 [0,2,0,0,0,0|2,0,0]=4 844 B10R1.1 CNCC1=NC=C(C=C1)C Z1255425232 [0,2,0,0,0,0|2,0,0]=4 845 B10R1.1 CNCC1=NC=C(N=C1)C Z2310677427 [0,2,0,0,0,0|1,0,0]=3 846 B10R1.1 COCC1=CC=C(C=C1)N Z240084568 [0,2,0,0,0,0|2,0,0]=4 847 B10R1.1 COCC1=NC=C(C=N1)N Z825741952 [0,2,0,0,0,0|2,0,0]=4 848 B10R1.1 CSCC1=CN=C(C=C1)Cl Z732206922 [0,2,0,0,0,0|1,1,0]=4 849 B10R1.1 NC1=CN=C(C=C1)CCO Z1898597735 [0,2,0,0,0,0|2,0,0]=4 850 B10R1.1 NCCC1=CN=C(C=C1)Cl Z1198178633 [0,2,0,0,0,0|2,0,0]=4 851 B10R1.1 NCCC1=NC=C(C=C1)F Z2238508662 [0,2,0,0,0,0|2,0,0]=4 852 B10R1.1 NCCC1=NC=C(C=C1)O Z2350909287 [0,2,0,0,0,0|2,0,0]=4 853 B10R1.3 C#CC1=NC=C(C=C1)OC Z1255436508 [0,2,0,0,0,0|1,0,0]=3 854 B10R1.3 CCC1=CN=C(C=C1)C=O Z1198235245 [0,2,0,0,0,0|2,0,0]=4 855 B10R1.3 CCC1=NC=C(C=C1)C=O Z1255494858 [0,2,0,0,0,0|2,0,0]=4 856 B10R1.3 CNC1=CC=C(C=C1)OC Z335282780 [0,2,0,0,0,0|2,0,0]=4 857 B10R1.3 CNC1=CN=C(C=C1)OC Z335249570 [0,2,0,0,0,0|1,0,0]=3 858 B10R1.3 CNC1=NC=C(C=C1)C#N Z281802064 [0,2,0,0,0,0|2,0,0]=4 859 B10R1.3 CNC1=NC=C(C=C1)OC Z1255359415 [0,2,0,0,0,0|1,0,0]=3 860 B10R1.3 CNC1=NC=C(C=N1)OC Z1203748902 [0,2,0,0,0,0|2,0,0]=4 861 B10R1.3 CNC1=NC=C(N=C1)C#N Z1217199212 [0,2,0,0,0,0|1,0,0]=3 862 B10R1.3 CNC1=NC=C(N=C1)CN Z3324787427 [0,2,0,0,0,0|1,0,0]=3 863 B10R1.3 COC1=CC=C(C=C1)C#N Z53834531 [0,2,0,0,0,0|2,0,0]=4 864 B10R1.3 COC1=CC=C(C=C1)C=O Z53833125 [0,2,0,0,0,0|2,0,0]=4 865 B10R1.3 COC1=CC=C(C=C1)CO Z54603098 [0,2,0,0,0,0|2,0,0]=4 866 B10R1.3 COC1=CC=C(C=C1)CS Z1255360358 [0,2,0,0,0,0|2,0,0]=4 867 B10R1.3 COC1=CC=C(C=C1)OC Z53833835 [0,2,0,0,0,0|2,0,0]=4 868 B10R1.3 COC1=CN=C(C=C1)C=O Z1198176556 [0,2,0,0,0,0|1,0,0]=3 869 B10R1.3 COC1=CN=C(N=C1)C=O Z1198277529 [0,2,0,0,0,0|2,0,0]=4 870 B10R1.3 COC1=CN=C(N=C1)CN Z4084793393 [0,2,0,0,0,0|2,0,0]=4 871 B10R1.3 COC1=NC=C(C=C1)C#N Z212050236 [0,2,0,0,0,0|1,0,0]=3 872 B10R1.3 COC1=NC=C(C=C1)C=O Z1255356725 [0,2,0,0,0,0|1,0,0]=3 873 B10R1.3 COC1=NC=C(C=C1)CO Z800297984 [0,2,0,0,0,0|1,0,0]=3 874 B10R1.3 COC1=NC=C(C=N1)C=O Z274574980 [0,2,0,0,0,0|2,0,0]=4 875 B10R1.3 COC1=NC=C(N=C1)C#N Z1198277942 [0,2,0,0,0,0|0,0,0]=2 876 B10R1.3 COC1=NN=C(C=C1)C#N Z1262250318 [0,2,0,0,0,0|2,0,0]=4 877 B10R1.3 COC1=NN=C(C=C1)C=O Z1198278266 [0,2,0,0,0,0|2,0,0]=4 878 B10R1.3 CSC1=CN=C(C=C1)C#N Z1498951501 [0,2,0,0,0,0|1,1,0]=4 879 B10R1.13 C=C(C)C1=CN=C(C=C1)Br Z1999517490 [0,2,0,0,0,0|2,0,0]=4 880 B10R1.13 CC(=O)C1=CN=C(C=C1)Br Z1269224642 [0,2,0,0,0,0|2,0,0]=4 881 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl Z1201622182 [0,2,0,0,0,0|2,0,0]=4 882 B10R1.13 CC(=O)C1=CN=C(C=C1)F Z1198173101 [0,2,0,0,0,0|2,0,0]=4 883 B10R1.13 CC(=O)C1=NC=C(C=C1)Br Z1945984212 [0,2,0,0,0,0|2,0,0]=4 884 B10R1.13 CC(=O)C1=NC=C(C=C1)Cl Z1198173098 [0,2,0,0,0,0|2,0,0]=4 885 B10R1.13 CC(=O)C1=NC=C(C=C1)F Z1575143877 [0,2,0,0,0,0|2,0,0]=4 886 B10R1.13 CC(N)C1=CN=C(C=C1)O Z4423361180 [0,2,0,0,0,0|2,0,0]=4 887 B10R1.13 CC(N)C1=NC=C(N=C1)Cl Z4188952637 [0,2,0,0,0,0|1,0,0]=3 888 B10R1.13 CC(O)C1=NC=C(C=C1)F Z1255406174 [0,2,0,0,0,0|2,0,0]=4 889 B10R1.13 CC1=NC=C(N=C1)C(=O)O Z104478058 [0,2,0,0,0,0|2,0,0]=4 890 B10R1.13 CN(C)C1=NC=C(C=C1)Br Z808607100 [0,2,0,0,0,0|2,0,0]=4 891 B10R1.13 C[C@H](N)C1=NC=C(C=C1)Cl Z1753033020 [0,2,0,0,0,0|2,0,0]=4 892 B10R1.13 FC(F)C1=NC=C(N=C1)Cl Z2944520663 [0,2,0,0,0,0|2,0,0]=4 893 B10R1.13 NC(=O)C1=NC=C(N=C1)Cl Z362781434 [0,2,0,0,0,0|2,0,0]=4 894 B10R1.13 O=C(O)C1=NC=C(N=C1)Br Z1269171110 [0,2,0,0,0,0|2,0,0]=4 895 B10R1.13 O=C(O)C1=NC=C(N=C1)Cl Z1201624906 [0,2,0,0,0,0|2,0,0]=4 896 B10R1.25 CC1=NC(=C(N=C1)C=O)C Z1255418740 [0,2,0,0,0,0|2,0,0]=4 897 B10R1.25 CCC1=C(C=C(N=C1)C)N Z1198157196 [0,2,0,0,0,0|2,0,0]=4 898 B10R1.25 CCC1=C(N=C(C=C1)C)N Z1201619216 [0,2,0,0,0,0|2,0,0]=4 899 B10R1.25 CNC1=C(C=C(C=N1)Br)N Z784893422 [0,2,0,0,0,0|2,0,0]=4 900 B10R1.25 CNC1=C(C=C(C=N1)Cl)Cl Z54160747 [0,2,0,0,0,0|2,0,0]=4 901 B10R1.25 CNC1=C(C=C(C=N1)F)F Z1982493995 [0,2,0,0,0,0|2,0,0]=4 902 B10R1.25 COC1=C(C=C(C=C1)Br)F Z54183592 [0,2,0,0,0,0|2,0,0]=4 903 B10R1.25 COC1=C(C=C(C=C1)Br)N Z330803600 [0,2,0,0,0,0|2,0,0]=4 904 B10R1.25 COC1=C(C=C(C=C1)Br)S Z367661854 [0,2,0,0,0,0|2,0,0]=4 905 B10R1.25 COC1=C(C=C(C=C1)C)N Z104477476 [0,2,0,0,0,0|2,0,0]=4 906 B10R1.25 COC1=C(C=C(C=C1)Cl)I Z1269181635 [0,2,0,0,0,0|2,0,0]=4 907 B10R1.25 COC1=C(C=C(C=C1)Cl)N Z56782009 [0,2,0,0,0,0|2,0,0]=4 908 B10R1.25 COC1=C(C=C(C=C1)F)N Z332375930 [0,2,0,0,0,0|2,0,0]=4 909 B10R1.25 COC1=C(C=C(C=C1)I)Br Z362776936 [0,2,0,0,0,0|2,0,0]=4 910 B10R1.25 COC1=C(C=C(C=C1)I)F Z57073900 [0,2,0,0,0,0|2,0,0]=4 911 B10R1.25 COC1=C(C=C(C=C1)N)Br Z57450975 [0,2,0,0,0,0|2,0,0]=4 912 B10R1.25 COC1=C(C=C(C=C1)N)C Z385462626 [0,2,0,0,0,0|2,0,0]=4 913 B10R1.25 COC1=C(C=C(C=C1)N)F Z362635046 [0,2,0,0,0,0|2,0,0]=4 914 B10R1.25 COC1=C(C=C(C=C1)N)O Z104494830 [0,2,0,0,0,0|2,0,0]=4 915 B10R1.25 COC1=C(C=C(C=C1)O)F Z415739536 [0,2,0,0,0,0|2,0,0]=4 916 B10R1.25 COC1=C(C=C(C=C1)O)I Z1269222013 [0,2,0,0,0,0|2,0,0]=4 917 B10R1.25 COC1=C(C=C(C=N1)Br)Cl Z1269109728 [0,2,0,0,0,0|1,0,0]=3 918 B10R1.25 COC1=C(C=C(C=N1)Cl)Br Z1269201911 [0,2,0,0,0,0|1,0,0]=3 919 B10R1.25 COC1=C(C=C(N=C1)C)Br Z2327128840 [0,2,0,0,0,0|1,0,0]=3 920 B10R1.25 COC1=C(N=C(C=C1)C)N Z955136104 [0,2,0,0,0,0|1,0,0]=3 921 B10R1.25 COC1=C(N=C(N=C1)C)N Z1203587404 [0,2,0,0,0,0|2,0,0]=4 922 B10R1.25 COC1=C(N=C(N=C1)S)O Z1201619066 [0,2,0,0,0,0|2,0,0]=4 923 B10R1.25 COC1=CNC(=CC1=O)C Z1203745936 [0,2,0,0,0,0|1,0,1]=4 924 B10R1.25 COC1=CNC(=NC1=O)C Z1255359661 [0,2,0,0,0,0|2,0,0]=4 925 B10R1.25 ClC1=NC(=C(N=C1)CBr)Cl Z1486028094 [0,2,0,0,0,0|2,0,0]=4 926 B10R1.25 NCC1=C(N=C(C=N1)Cl)Cl Z2568737584 [0,2,0,0,0,0|2,0,0]=4 927 B10R1.176 COC1=CC(=C(C=C1)Br)N Z406520438 [0,2,0,0,0,0|2,0,0]=4 928 B10R1.176 COC1=CC(=C(C=C1)C)N Z1203578033 [0,2,0,0,0,0|2,0,0]=4 929 B10R1.176 COC1=CC(=C(C=C1)C)O Z1255384359 [0,2,0,0,0,0|2,0,0]=4 930 B10R1.176 COC1=CC(=C(C=C1)Cl)C Z54850187 [0,2,0,0,0,0|2,0,0]=4 931 B10R1.176 COC1=CC(=C(C=C1)Cl)N Z1259341039 [0,2,0,0,0,0|2,0,0]=4 932 B10R1.176 COC1=CC(=C(C=C1)F)Br Z1269188737 [0,2,0,0,0,0|2,0,0]=4 933 B10R1.176 COC1=CC(=C(C=C1)F)N Z1198319952 [0,2,0,0,0,0|2,0,0]=4 934 B10R1.176 COC1=CC(=C(C=C1)I)C Z1269244593 [0,2,0,0,0,0|2,0,0]=4 935 B10R1.176 COC1=CC(=C(C=C1)N)Br Z425366392 [0,2,0,0,0,0|2,0,0]=4 936 B10R1.176 COC1=CC(=C(C=C1)N)C Z239604794 [0,2,0,0,0,0|2,0,0]=4 937 B10R1.176 COC1=CC(=C(C=C1)N)Cl Z425366376 [0,2,0,0,0,0|2,0,0]=4 938 B10R1.176 COC1=CC(=C(C=C1)N)F Z425366382 [0,2,0,0,0,0|2,0,0]=4 939 B10R1.176 COC1=CC(=C(C=C1)N)I Z1868316833 [0,2,0,0,0,0|2,0,0]=4 940 B10R1.176 COC1=CC(=C(C=C1)O)C Z1198310476 [0,2,0,0,0,0|2,0,0]=4 941 B10R1.176 COC1=CC(=C(C=C1)O)N Z57727878 [0,2,0,0,0,0|2,0,0]=4 942 B10R1.176 COC1=CC(=C(N=C1)C)Br Z1269227186 [0,2,0,0,0,0|1,0,0]=3 943 B10R1.176 COC1=CC(=C(N=C1)N)F Z1255367183 [0,2,0,0,0,0|1,0,0]=3 944 B10R1.176 COC1=NC(=C(C=C1)N)Br Z1269148967 [0,2,0,0,0,0|1,0,0]=3 945 B10R1.176 COC1=NC(=C(C=C1)N)C Z1198161549 [0,2,0,0,0,0|1,0,0]=3 946 B10R1.176 COC1=NC(=C(C=C1)N)N Z1198169423 [0,2,0,0,0,0|1,0,0]=3 947 B10R1.176 COC1=NC(=C(C=C1)O)C Z1255447798 [0,2,0,0,0,0|1,0,0]=3 948 B10R1.176 COC1=NC(=O)C(=CN1)F Z1354416067 [0,2,0,0,0,0|2,0,0]=4 949 B10R1.176 COC1=NC=C(C(=C1)Cl)I Z1269230786 [0,2,0,0,0,0|1,0,0]=3 950 B10R1.176 COC1=NC=C(C(=C1)N)Cl Z3690357349 [0,2,0,0,0,0|1,0,0]=3 951 B10R1.176 CSC1=NC(=C(N=N1)C)C Z821284212 [0,2,0,0,0,0|1,1,0]=4 952 B10R1.176 CSC1=NC(=O)C(=NN1)C Z90122581 [0,2,0,0,0,0|1,1,0]=4 953 B10R1.176 CSC1=NC=C(C(=C1)C)Br Z1551929697 [0,2,0,0,0,0|1,1,0]=4 954 B10R1.2 CNC1=C(C(=CC=N1)Br)F Z5349335476 [0,2,0,0,0,0|2,0,0]=4 955 B10R1.2 CNC1=C(C(=CC=N1)C)N Z1203638672 [0,2,0,0,0,0|2,0,0]=4 956 B10R1.2 COC1=C(C(=CC=C1)Br)O Z1269110250 [0,2,0,0,0,0|2,0,0]=4 957 B10R1.2 COC1=C(C(=CC=C1)C)N Z421792238 [0,2,0,0,0,0|2,0,0]=4 958 B10R1.2 COC1=C(C(=CC=C1)F)N Z451392160 [0,2,0,0,0,0|2,0,0]=4 959 B10R1.2 COC1=C(C(=CC=C1)F)O Z850124378 [0,2,0,0,0,0|2,0,0]=4 960 B10R1.2 COC1=C(C(=CC=C1)I)C Z1269190043 [0,2,0,0,0,0|2,0,0]=4 961 B10R1.2 COC1=C(C(=CC=C1)I)F Z1269143141 [0,2,0,0,0,0|2,0,0]=4 962 B10R1.2 COC1=C(C(=CC=C1)N)Br Z1269199811 [0,2,0,0,0,0|2,0,0]=4 963 B10R1.2 COC1=C(C(=CC=C1)N)F Z1198306024 [0,2,0,0,0,0|2,0,0]=4 964 B10R1.2 COC1=C(C(=CC=C1)N)N Z1198177096 [0,2,0,0,0,0|2,0,0]=4 965 B10R1.2 COC1=C(C(=CC=C1)N)O Z1623872003 [0,2,0,0,0,0|2,0,0]=4 966 B10R1.2 COC1=C(C(=CC=C1)O)N Z4658970175 [0,2,0,0,0,0|2,0,0]=4 967 B10R1.2 COC1=C(C(=CN=C1)Br)Cl Z1269193893 [0,2,0,0,0,0|1,0,0]=3 968 B10R1.2 COC1=C(C(=NC=N1)N)Br Z1269120648 [0,2,0,0,0,0|2,0,0]=4 969 B10R1.2 COC1=C(C(=NC=N1)N)C Z1203653028 [0,2,0,0,0,0|2,0,0]=4 970 B10R1.2 COC1=C(C(=NC=N1)N)Cl Z1947962291 [0,2,0,0,0,0|2,0,0]=4 971 B10R1.2 COC1=C(C(=NC=N1)N)I Z3766051250 [0,2,0,0,0,0|2,0,0]=4 972 B10R1.2 COC1=C(C(=NC=N1)N)N Z1020850472 [0,2,0,0,0,0|2,0,0]=4 973 B10R1.2 COC1=C(C(=O)NN=C1)Cl Z127501802 [0,2,0,0,0,0|2,0,0]=4 974 B10R1.8 COC1=CC(=CC(=C1)N)Br Z1065885484 [0,2,0,0,0,0|2,0,0]=4 975 B10R1.8 COC1=CC(=CC(=C1)N)F Z1201618813 [0,2,0,0,0,0|2,0,0]=4 976 B10R1.8 COC1=CC(=CC(=C1)N)O Z1203579402 [0,2,0,0,0,0|2,0,0]=4 977 B10R1.8 COC1=CC(=CC(=C1)O)Br Z1269138872 [0,2,0,0,0,0|2,0,0]=4 978 B10R1.8 COC1=CC(=CC(=C1)O)Cl Z1079209556 [0,2,0,0,0,0|2,0,0]=4 979 B10R1.8 COC1=NC(=CC(=C1)C)C Z1255389258 [0,2,0,0,0,0|1,0,0]=3 980 B10R1.8 COC1=NC(=CC(=O)N1)C Z1192378567 [0,2,0,0,0,0|2,0,0]=4 981 B10R1.8 COC1=NC(=NC(=C1)N)N Z1198159436 [0,2,0,0,0,0|2,0,0]=4 982 B10R1.8 COC1=NC(=O)C=C(N1)N Z2944342057 [0,2,0,0,0,0|2,0,0]=4 983 B10R1.10 CC1=NC(=CC=C1)CCN Z1098234194 [0,2,0,0,0,0|2,0,0]=4 984 B10R1.10 CCOC1=CC(=CC=C1)Br Z53833934 [0,2,0,0,0,0|2,0,0]=4 985 B10R1.10 CCOC1=CC(=CC=C1)I Z54181578 [0,2,0,0,0,0|2,0,0]=4 986 B10R1.10 CCOC1=NC(=CC=C1)C Z1198168604 [0,2,0,0,0,0|1,0,0]=3 987 B10R1.10 CCOC1=NC(=CC=C1)N Z1139188017 [0,2,0,0,0,0|1,0,0]=3 988 B10R1.10 CCOC1=NC(=CN=C1)Cl Z291235528 [0,2,0,0,0,0|0,0,0]=2 989 B10R1.10 CCOC1=NC(=CN=C1)N Z1198727889 [0,2,0,0,0,0|0,0,0]=2 990 B10R1.10 CCOC1=NC(=NC=C1)N Z1203581620 [0,2,0,0,0,0|2,0,0]=4 991 B10R1.10 CCSC1=NC(=CN=C1)Cl Z408197356 [0,2,0,0,0,0|0,1,0]=3 992 B10R1.10 CNCC1=CC(=CN=C1)Br Z5095377359 [0,2,0,0,0,0|2,0,0]=4 993 B10R1.10 CNCC1=NC(=CC=C1)C Z1255523287 [0,2,0,0,0,0|2,0,0]=4 994 B10R1.10 CNCC1=NC=CC(=C1)C Z5443664854 [0,2,0,0,0,0|2,0,0]=4 995 B10R1.10 CNCC1=NC=CC(=C1)Cl Z3214695745 [0,2,0,0,0,0|2,0,0]=4 996 B10R1.10 COCC1=CC(=CC=C1)N Z285163816 [0,2,0,0,0,0|2,0,0]=4 997 B10R1.10 COCC1=CC(=CC=C1)O Z821093526 [0,2,0,0,0,0|2,0,0]=4 998 B10R1.10 COCC1=NC(=CC=N1)Cl Z825742010 [0,2,0,0,0,0|2,0,0]=4 999 B10R1.10 COCC1=NC(=CC=N1)N Z960787432 [0,2,0,0,0,0|2,0,0]=4 1000 B10R1.10 COCC1=NC(=NC=C1)N Z1203583301 [0,2,0,0,0,0|2,0,0]=4 1001 B10R1.10 COCC1=NC(=O)C=CN1 Z3023823655 [0,2,0,0,0,0|2,0,0]=4 1002 B10R1.10 COCC1=NC=NC(=C1)Cl Z975855190 [0,2,0,0,0,0|2,0,0]=4 1003 B10R1.10 COCC1=NC=NC(=C1)N Z975850638 [0,2,0,0,0,0|2,0,0]=4 1004 B10R1.10 COCC1=NC=NC(=C1)O Z1459946056 [0,2,0,0,0,0|2,0,0]=4 1005 B10R1.10 NCCC1=CC(=CN=C1)O Z1504671788 [0,2,0,0,0,0|2,0,0]=4 1006 B10R1.30 CC1=NC(=C(N=C1)Cl)C#N Z1551942864 [0,2,0,0,0,0|2,0,0]=4 1007 B10R1.30 CCC1=C(C=CC(=N1)C)O Z1741975119 [0,2,0,0,0,0|2,0,0]=4 1008 B10R1.30 CCC1=C(N=CC(=C1)Cl)N Z1197892627 [0,2,0,0,0,0|2,0,0]=4 1009 B10R1.30 CCC1=C(N=CC(=C1)N)C Z3033333120 [0,2,0,0,0,0|2,0,0]=4 1010 B10R1.30 COC1=C(C=CC(=C1)C)N Z607822396 [0,2,0,0,0,0|2,0,0]=4 1011 B10R1.30 COC1=C(C=CC(=C1)Cl)N Z851801172 [0,2,0,0,0,0|2,0,0]=4 1012 B10R1.30 COC1=C(C=CC(=C1)F)N Z240869728 [0,2,0,0,0,0|2,0,0]=4 1013 B10R1.30 COC1=C(C=CC(=C1)I)Br Z1269142199 [0,2,0,0,0,0|2,0,0]=4 1014 B10R1.30 COC1=C(C=CC(=C1)I)N Z2230911387 [0,2,0,0,0,0|2,0,0]=4 1015 B10R1.30 COC1=C(C=CC(=C1)N)Br Z1269152504 [0,2,0,0,0,0|2,0,0]=4 1016 B10R1.30 COC1=C(C=CC(=C1)N)Cl Z586249876 [0,2,0,0,0,0|2,0,0]=4 1017 B10R1.30 COC1=C(C=CC(=C1)N)N Z1147221600 [0,2,0,0,0,0|2,0,0]=4 1018 B10R1.30 COC1=C(C=CC(=C1)N)O Z3244869289 [0,2,0,0,0,0|2,0,0]=4 1019 B10R1.30 COC1=C(C=CC(=C1)O)Br Z1258567775 [0,2,0,0,0,0|2,0,0]=4 1020 B10R1.30 COC1=C(C=CC(=C1)O)N Z2574932955 [0,2,0,0,0,0|2,0,0]=4 1021 B10R1.30 COC1=C(C=CC(=N1)C)O Z1255397596 [0,2,0,0,0,0|1,0,0]=3 1022 B10R1.30 COC1=C(C=CC(=N1)N)Br Z1269195904 [0,2,0,0,0,0|1,0,0]=3 1023 B10R1.30 COC1=C(N=CC(=C1)Br)C Z1269222409 [0,2,0,0,0,0|1,0,0]=3 1024 B10R1.30 COC1=C(N=CC(=C1)Br)N Z1269156807 [0,2,0,0,0,0|1,0,0]=3 1025 B10R1.30 COC1=CC(=CNC1=O)Br Z1269163743 [0,2,0,0,0,0|1,0,1]=4 1026 B10R1.30 N#CC1=C(N=CC(=N1)Cl)Cl Z1386995279 [0,2,0,0,0,0|2,0,0]=4 1027 B10R1.30 N#CC1=C(N=CC(=N1)F)F Z1469138425 [0,2,0,0,0,0|2,0,0]=4 1028 B10R1.30 NC1=C(N=C(C=N1)Br)C=O Z1269237769 [0,2,0,0,0,0|2,0,0]=4 1029 B10R1.113 CC(=O)C1=CC(=CN=C1)C Z1198331406 [0,2,0,0,0,0|2,0,0]=4 1030 B10R1.113 CC(=O)C1=CC(=CN=C1)Cl Z1255491584 [0,2,0,0,0,0|2,0,0]=4 1031 B10R1.113 CC(=O)C1=NC(=CC=C1)Br Z1269164937 [0,2,0,0,0,0|2,0,0]=4 1032 B10R1.113 CC(=O)C1=NC(=CC=C1)Cl Z1198173097 [0,2,0,0,0,0|2,0,0]=4 1033 B10R1.113 CC(=O)C1=NC(=CC=C1)F Z1198219245 [0,2,0,0,0,0|2,0,0]=4 1034 B10R1.113 CC(=O)C1=NC(=CN=C1)Cl Z1681347110 [0,2,0,0,0,0|1,0,0]=3 1035 B10R1.113 CC(=O)C1=NC=CC(=C1)Br Z1269133346 [0,2,0,0,0,0|2,0,0]=4 1036 B10R1.113 CC(C)C1=NC=CC(=C1)N Z4438672474 [0,2,0,0,0,0|2,0,0]=4 1037 B10R1.113 CC(C)C1=NC=CC(=C1)O Z1255384308 [0,2,0,0,0,0|2,0,0]=4 1038 B10R1.113 CC(N)C1=NC=CC(=C1)Br Z4573023597 [0,2,0,0,0,0|2,0,0]=4 1039 B10R1.113 CC(O)C1=CC(=CN=C1)F Z823275188 [0,2,0,0,0,0|2,0,0]=4 1040 B10R1.113 CC1=CC=CC(=N1)[C@@H](C)N Z1492797078 [0,2,0,0,0,0|2,0,0]=4 1041 B10R1.113 CN(C)C1=CC(=CN=C1)Br Z1269162558 [0,2,0,0,0,0|2,0,0]=4 1042 B10R1.113 CN(C)C1=CC(=CN=C1)I Z5109364806 [0,2,0,0,0,0|2,0,0]=4 1043 B10R1.113 CN(C)C1=CC(=CN=C1)N Z1203580695 [0,2,0,0,0,0|2,0,0]=4 1044 B10R1.113 CN(C)C1=NC(=CN=C1)Cl Z850998362 [0,2,0,0,0,0|1,0,0]=3 1045 B10R1.113 CN(C)C1=NC=CC(=C1)Cl Z1198183149 [0,2,0,0,0,0|2,0,0]=4 1046 B10R1.113 CN(C)C1=NC=CC(=C1)N Z851809480 [0,2,0,0,0,0|2,0,0]=4 1047 B10R1.113 NC(=O)C1=NC(=CN=C1)Cl Z1079442100 [0,2,0,0,0,0|2,0,0]=4 1048 B10R1.113 NC1=NC(=CN=C1)C(=O)O Z1198277982 [0,2,0,0,0,0|2,0,0]=4 1049 B10R1.113 O=C(Cl)C1=NC(=CN=C1)Cl Z1255466600 [0,2,0,0,0,0|2,0,0]=4 1050 B10R1.113 O=C(O)C1=NC(=CN=C1)Br Z1269117178 [0,2,0,0,0,0|2,0,0]=4 1051 B10R1.113 O=C(O)C1=NC(=CN=C1)Cl Z1198155331 [0,2,0,0,0,0|2,0,0]=4 1052 B10R1.113 O=C(O)C1=NC(=CN=C1)F Z1551922856 [0,2,0,0,0,0|2,0,0]=4 1053 B10R1.172 C#CC1=CC=CC(=N1)OC Z1198312689 [0,2,0,0,0,0|1,0,0]=3 1054 B10R1.172 CCC1=CC(=CN=C1)C=O Z1255382321 [0,2,0,0,0,0|2,0,0]=4 1055 B10R1.172 CCC1=CC(=CN=C1)CN Z2310718462 [0,2,0,0,0,0|2,0,0]=4 1056 B10R1.172 CCC1=NC(=CC=C1)C=O Z1255375781 [0,2,0,0,0,0|2,0,0]=4 1057 B10R1.172 CCC1=NC=CC(=C1)C=O Z1255362037 [0,2,0,0,0,0|2,0,0]=4 1058 B10R1.172 CNC1=CC(=CC=C1)OC Z3013892520 [0,2,0,0,0,0|2,0,0]=4 1059 B10R1.172 CNC1=CC=CC(=N1)NC Z1203731164 [0,2,0,0,0,0|2,0,0]=4 1060 B10R1.172 CNC1=NC(=CC=C1)C#N Z1238670210 [0,2,0,0,0,0|2,0,0]=4 1061 B10R1.172 CNC1=NC(=CC=C1)OC Z104494274 [0,2,0,0,0,0|1,0,0]=3 1062 B10R1.172 CNC1=NC(=CN=C1)OC Z1431178752 [0,2,0,0,0,0|0,0,0]=2 1063 B10R1.172 COC1=CC(=CC=C1)C=O Z53836050 [0,2,0,0,0,0|2,0,0]=4 1064 B10R1.172 COC1=CC(=CC=C1)CCl Z104486106 [0,2,0,0,0,0|2,0,0]=4 1065 B10R1.172 COC1=CC(=CC=C1)CO Z90121251 [0,2,0,0,0,0|2,0,0]=4 1066 B10R1.172 COC1=CC(=CC=C1)NN Z94599902 [0,2,0,0,0,0|2,0,0]=4 1067 B10R1.172 COC1=CC(=CN=C1)C=O Z1255365477 [0,2,0,0,0,0|1,0,0]=3 1068 B10R1.172 COC1=CN=CC(=C1)OC Z1198157277 [0,2,0,0,0,0|1,0,0]=3 1069 B10R1.172 COC1=NC(=CC=C1)C=O Z1160906077 [0,2,0,0,0,0|1,0,0]=3 1070 B10R1.172 COC1=NC(=CC=C1)CCl Z969097374 [0,2,0,0,0,0|1,0,0]=3 1071 B10R1.172 COC1=NC(=CC=C1)CN Z875024662 [0,2,0,0,0,0|1,0,0]=3 1072 B10R1.172 COC1=NC(=CC=C1)CO Z969097688 [0,2,0,0,0,0|1,0,0]=3 1073 B10R1.172 COC1=NC(=CN=C1)CN Z2944291893 [0,2,0,0,0,0|0,0,0]=2 1074 B10R1.172 COC1=NC(=NC=C1)C=O Z1198330110 [0,2,0,0,0,0|2,0,0]=4 1075 B10R1.172 COC1=NC=CC(=C1)C#N Z235344767 [0,2,0,0,0,0|1,0,0]=3 1076 B10R1.172 COC1=NC=NC(=C1)C#N Z1736793829 [0,2,0,0,0,0|2,0,0]=4 1077 B10R1.172 COC1=NC=NC(=C1)C=O Z2178582106 [0,2,0,0,0,0|2,0,0]=4 1078 B10R1.172 COC1=NC=NC(=C1)CN Z3675381988 [0,2,0,0,0,0|2,0,0]=4 1079 B10R1.172 COC1=NC=NC(=C1)CO Z2178583053 [0,2,0,0,0,0|2,0,0]=4 1080 B10R1.172 CSC1=NC(=CC=C1)C#N Z1198314572 [0,2,0,0,0,0|1,1,0]=4 1081 B10R1.172 CSC1=NC=CC(=C1)CN Z732208356 [0,2,0,0,0,0|1,1,0]=4 1082 B10R1.15 C/N=C(\N)/C1=CN=CC=C1 Z2528328215 [0,2,0,0,0,0|2,0,0]=4 1083 B10R1.15 CNC(=N)C1=NC=CC=C1 Z2735598147 [0,2,0,0,0,0|2,0,0]=4 1084 B10R1.15 CNC(=O)C1=NC=CC=C1 Z32016284 [0,2,0,0,0,0|2,0,0]=4 1085 B10R1.15 CNC(C)C1=CN=CC=C1 Z451350188 [0,2,0,0,0,0|2,0,0]=4 1086 B10R1.15 CNC(C)C1=NC=CC=C1 Z451350194 [0,2,0,0,0,0|2,0,0]=4 1087 B10R1.15 COC(=O)C1=CC=CC=C1 Z19825577 [0,2,0,0,0,0|2,0,0]=4 1088 B10R1.15 COC(=O)C1=CN=CC=C1 Z57036282 [0,2,0,0,0,0|1,0,0]=3 1089 B10R1.15 COC(=O)C1=NC=CC=C1 Z19673259 [0,2,0,0,0,0|1,0,0]=3 1090 B10R1.15 COC(=O)C1=NC=CN=C1 Z18351140 [0,2,0,0,0,0|0,0,0]=2 1091 B10R1.15 NC(CO)C1=CN=CC=C1 Z2350903961 [0,2,0,0,0,0|2,0,0]=4 1092 B10R1.15 NCC(O)C1=CN=CC=C1 Z336086578 [0,2,0,0,0,0|2,0,0]=4 1093 B10R1.15 NCC(O)C1=NC=CC=C1 Z802671456 [0,2,0,0,0,0|2,0,0]=4 1094 B10R1.15 NNC(=O)C1=NC=CN=C1 Z58981894 [0,2,0,0,0,0|2,0,0]=4 1095 B10R1.15 O=C(CCl)C1=CN=CC=C1 Z2768198137 [0,2,0,0,0,0|2,0,0]=4 1096 B10R1.15 O=C(CCl)C1=NC=CC=C1 Z1205657985 [0,2,0,0,0,0|2,0,0]=4 1097 B10R1.15 OCC(O)C1=NC=CC=C1 Z4985119178 [0,2,0,0,0,0|2,0,0]=4 1098 B10R1.28 CS(=O)(=O)C1=CN=CC=C1 Z425810472 [0,2,0,0,0,0|1,1,0]=4 1099 B10R1.28 NS(=O)(=O)C1=NC=CN=C1 Z854066840 [0,2,0,0,0,0|1,1,0]=4 1100 B10R1.61 CC(=O)C1=C(C=CC=N1)O Z1198175942 [0,2,0,0,0,0|2,0,0]=4 1101 B10R1.61 CC(=O)C1=C(C=CN=C1)C Z1198178359 [0,2,0,0,0,0|2,0,0]=4 1102 B10R1.61 CC(=O)C1=C(C=CN=C1)N Z1192043585 [0,2,0,0,0,0|2,0,0]=4 1103 B10R1.61 CC(=O)C1=C(N=CC=C1)Br Z1269140470 [0,2,0,0,0,0|2,0,0]=4 1104 B10R1.61 CC(=O)C1=C(N=CC=C1)Cl Z1154360549 [0,2,0,0,0,0|2,0,0]=4 1105 B10R1.61 CC(=O)C1=C(N=CC=N1)Cl Z1198277886 [0,2,0,0,0,0|1,0,0]=3 1106 B10R1.61 CC(C)C1=C(C=CC=N1)N Z1416177001 [0,2,0,0,0,0|2,0,0]=4 1107 B10R1.61 CC(C)C1=C(C=CN=C1)N Z1192004736 [0,2,0,0,0,0|2,0,0]=4 1108 B10R1.61 CC(C)C1=C(C=CN=C1)O Z1255421924 [0,2,0,0,0,0|2,0,0]=4 1109 B10R1.61 CC(C)C1=C(N=CC=C1)N Z1192017957 [0,2,0,0,0,0|2,0,0]=4 1110 B10R1.61 CC(C)C1=C(N=CC=N1)Cl Z1255497724 [0,2,0,0,0,0|1,0,0]=3 1111 B10R1.61 CC(C)C1=NC=CNC1=O Z1203732938 [0,2,0,0,0,0|1,0,1]=4 1112 B10R1.61 CC(N)C1=C(C=CC=N1)Br Z3925841137 [0,2,0,0,0,0|2,0,0]=4 1113 B10R1.61 CC(N)C1=C(C=CC=N1)F Z2284396256 [0,2,0,0,0,0|2,0,0]=4 1114 B10R1.61 CC(N)C1=C(C=CN=C1)O Z4515690259 [0,2,0,0,0,0|2,0,0]=4 1115 B10R1.61 CC1=C(C=CC=N1)C(C)N Z4511547602 [0,2,0,0,0,0|2,0,0]=4 1116 B10R1.61 CC1=C(C=CC=N1)C(C)O Z1766930129 [0,2,0,0,0,0|2,0,0]=4 1117 B10R1.61 CC1=C(N=CC=N1)C(=O)O Z1205494130 [0,2,0,0,0,0|2,0,0]=4 1118 B10R1.61 CN(C)C1=C(C=CN=C1)N Z1203580770 [0,2,0,0,0,0|2,0,0]=4 1119 B10R1.61 CN(C)C1=C(N=CC=C1)N Z1203587145 [0,2,0,0,0,0|2,0,0]=4 1120 B10R1.61 C[C@H](N)C1=C(C=CC=N1)F Z1924739255 [0,2,0,0,0,0|2,0,0]=4 1121 B10R1.61 FC(F)C1=C(N=CC=N1)Cl Z1813160247 [0,2,0,0,0,0|2,0,0]=4 1122 B10R1.61 NC(=O)C1=C(N=CC=N1)Cl Z1198235057 [0,2,0,0,0,0|2,0,0]=4 1123 B10R1.61 NC(=O)C1=C(N=CC=N1)N Z1198161815 [0,2,0,0,0,0|2,0,0]=4 1124 B10R1.61 NC(=O)C1=C(N=CC=N1)O Z1201619905 [0,2,0,0,0,0|2,0,0]=4 1125 B10R1.61 NC1=C(N=CC=N1)C(=O)O Z56818526 [0,2,0,0,0,0|2,0,0]=4 1126 B10R1.61 O=C(O)C1=C(N=CC=N1)Br Z1269173189 [0,2,0,0,0,0|2,0,0]=4 1127 B10R1.61 O=C(O)C1=C(N=CC=N1)Cl Z1201620959 [0,2,0,0,0,0|2,0,0]=4 1128 B10R1.4 CC1=C(C=NC=C1)CCN Z1198264124 [0,2,0,0,0,0|2,0,0]=4 1129 B10R1.4 CC1=C(N=CC=C1)CCN Z1098234132 [0,2,0,0,0,0|2,0,0]=4 1130 B10R1.4 CC1=C(N=CC=C1)CCO Z1198169041 [0,2,0,0,0,0|2,0,0]=4 1131 B10R1.4 CC1=C(N=CC=N1)CCO Z1198163945 [0,2,0,0,0,0|1,0,0]=3 1132 B10R1.4 CCCC1=C(N=CC=N1)Cl Z1504680268 [0,2,0,0,0,0|1,0,0]=3 1133 B10R1.4 CCNC1=C(C=CC=N1)C Z968907586 [0,2,0,0,0,0|2,0,0]=4 1134 B10R1.4 CCNC1=C(C=CC=N1)N Z803145254 [0,2,0,0,0,0|2,0,0]=4 1135 B10R1.4 CCNC1=C(C=CN=C1)C Z1946684572 [0,2,0,0,0,0|2,0,0]=4 1136 B10R1.4 CCOC1=C(C=CC=C1)Br Z153728256 [0,2,0,0,0,0|2,0,0]=4 1137 B10R1.4 CCOC1=C(C=CC=C1)I Z406416174 [0,2,0,0,0,0|2,0,0]=4 1138 B10R1.4 CCOC1=C(C=CC=C1)N Z104478442 [0,2,0,0,0,0|2,0,0]=4 1139 B10R1.4 CCOC1=C(C=CC=C1)O Z104480244 [0,2,0,0,0,0|2,0,0]=4 1140 B10R1.4 CCOC1=C(C=CC=N1)N Z240084312 [0,2,0,0,0,0|1,0,0]=3 1141 B10R1.4 CCOC1=C(N=CC=C1)N Z362783900 [0,2,0,0,0,0|1,0,0]=3 1142 B10R1.4 CNCC1=C(C=CC=N1)Cl Z5392638231 [0,2,0,0,0,0|2,0,0]=4 1143 B10R1.4 COCC1=C(C=CC=C1)I Z821093342 [0,2,0,0,0,0|2,0,0]=4 1144 B10R1.4 COCC1=C(C=CC=C1)O Z821093528 [0,2,0,0,0,0|2,0,0]=4 1145 B10R1.4 COCC1=C(N=CC=C1)N Z991490684 [0,2,0,0,0,0|1,0,0]=3 1146 B10R1.4 N#CCC1=C(N=CC=N1)Cl Z1255498354 [0,2,0,0,0,0|1,0,1]=4 1147 B10R1.4 NCCC1=C(N=CC=C1)O Z5862214540 [0,2,0,0,0,0|2,0,0]=4 1148 B10R1.17 BrCCOC1=CC=CC=C1 Z56950513 [0,2,0,0,0,0|2,0,0]=4 1149 B10R1.17 C#CCOC1=NC=CC=N1 Z1198278527 [0,2,0,0,0,0|2,0,0]=4 1150 B10R1.17 CCCNC1=CN=CC=C1 Z334882412 [0,2,0,0,0,0|2,0,0]=4 1151 B10R1.17 CCCOC1=NC=CN=C1 Z2182020100 [0,2,0,0,0,0|0,0,0]=2 1152 B10R1.17 CCNCC1=NC=CC=C1 Z90513146 [0,2,0,0,0,0|2,0,0]=4 1153 B10R1.17 CCSCC1=NC=CC=C1 Z1607601848 [0,2,0,0,0,0|1,1,0]=4 1154 B10R1.17 CNCCC1=CN=CC=C1 Z2418466818 [0,2,0,0,0,0|2,0,0]=4 1155 B10R1.17 CNCCC1=NC=CC=C1 Z2238930991 [0,2,0,0,0,0|2,0,0]=4 1156 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [0,2,0,0,0,0|2,0,0]=4 1157 B10R1.17 N#CCNC1=NC=CC=C1 Z1203732480 [0,2,0,0,0,0|2,0,0]=4 1158 B10R1.17 N#CCOC1=CC=CC=C1 Z53792061 [0,2,0,0,0,0|2,0,0]=4 1159 B10R1.17 N#CCSC1=NC=CC=C1 Z54336898 [0,2,0,0,0,0|1,1,0]=4 1160 B10R1.17 NC/C=C/C1=CN=CC=C1 Z2216303151 [0,2,0,0,0,0|2,0,0]=4 1161 B10R1.17 NCC#CC1=NC=CC=C1 Z1456201642 [0,2,0,0,0,0|2,0,0]=4 1162 B10R1.17 NCCCC1=CN=CC=C1 Z3058301115 [0,2,0,0,0,0|2,0,0]=4 1163 B10R1.17 NCCCC1=NC=CC=C1 Z600381818 [0,2,0,0,0,0|2,0,0]=4 1164 B10R1.17 NCCCC1=NC=CN=C1 Z1474025943 [0,2,0,0,0,0|1,0,0]=3 1165 B10R1.17 NCCNC1=NC=CC=C1 Z85923460 [0,2,0,0,0,0|2,0,0]=4 1166 B10R1.17 NCCOC1=CC=CC=C1 Z355423232 [0,2,0,0,0,0|2,0,0]=4 1167 B10R1.17 NCCOC1=CN=CC=C1 Z429662874 [0,2,0,0,0,0|1,0,0]=3 1168 B10R1.17 NCCOC1=NC=CC=N1 Z4381809298 [0,2,0,0,0,0|2,0,0]=4 1169 B10R1.17 O=CCCC1=CN=CC=C1 Z1198276578 [0,2,0,0,0,0|2,0,0]=4 1170 B10R1.17 O=CCCC1=NC=CC=C1 Z1079158816 [0,2,0,0,0,0|2,0,0]=4 1171 B10R1.17 O=CCOC1=CC=CC=C1 Z854102570 [0,2,0,0,0,0|2,0,0]=4 1172 B10R1.17 O=CCOC1=NC=CC=C1 Z1255434510 [0,2,0,0,0,0|1,0,0]=3 1173 B10R1.17 OCC#CC1=NC=CC=C1 Z1143356057 [0,2,0,0,0,0|2,0,0]=4 1174 B10R1.17 OCC#CC1=NC=CN=C1 Z1183457797 [0,2,0,0,0,0|1,0,0]=3 1175 B10R1.17 OCCCC1=CN=CC=C1 Z104479004 [0,2,0,0,0,0|2,0,0]=4 1176 B10R1.17 OCCNC1=NC=CC=C1 Z31212159 [0,2,0,0,0,0|2,0,0]=4 1177 B10R1.17 OCCNC1=NC=CN=C1 Z31212301 [0,2,0,0,0,0|1,0,0]=3 1178 B10R1.17 OCCOC1=CC=CC=C1 Z104473570 [0,2,0,0,0,0|2,0,0]=4 1179 B10R1.17 OCCOC1=CN=CC=C1 Z1180078238 [0,2,0,0,0,0|1,0,0]=3 1180 B10R1.18 CC(=O)CC1=NC=CN=C1 Z1098219337 [0,2,0,0,0,0|1,0,0]=3 1181 B10R1.18 CC(=O)NC1=CN=CC=C1 Z31791378 [0,2,0,0,0,0|2,0,0]=4 1182 B10R1.18 CC(C)CC1=NC=CC=C1 Z1201621742 [0,2,0,0,0,0|2,0,0]=4 1183 B10R1.18 CC(C)NC1=CN=CC=C1 Z334882282 [0,2,0,0,0,0|2,0,0]=4 1184 B10R1.18 CC(C)OC1=CC=CC=C1 Z53833867 [0,2,0,0,0,0|2,0,0]=4 1185 B10R1.18 CC(O)CC1=NC=CC=C1 Z513750714 [0,2,0,0,0,0|2,0,0]=4 1186 B10R1.18 CN(C)CC1=CN=CC=C1 Z140563088 [0,2,0,0,0,0|2,0,0]=4 1187 B10R1.18 CN(C)CC1=NC=CC=C1 Z4614651190 [0,2,0,0,0,0|2,0,0]=4 1188 B10R1.18 FC(F)OC1=CN=CC=C1 Z808605476 [0,2,0,0,0,0|1,0,0]=3 1189 B10R1.20 CCC1=C(C=CC=N1)C=O Z3241890674 [0,2,0,0,0,0|2,0,0]=4 1190 B10R1.20 CCC1=C(C=CN=C1)C#N Z1255396674 [0,2,0,0,0,0|2,0,0]=4 1191 B10R1.20 CCC1=C(C=CN=C1)C=O Z1255392222 [0,2,0,0,0,0|2,0,0]=4 1192 B10R1.20 CCC1=C(N=CC=C1)C#N Z1198166295 [0,2,0,0,0,0|2,0,0]=4 1193 B10R1.20 CCC1=C(N=CC=C1)C=O Z1255375872 [0,2,0,0,0,0|2,0,0]=4 1194 B10R1.20 CNC1=C(C=CC=N1)C#N Z86242656 [0,2,0,0,0,0|2,0,0]=4 1195 B10R1.20 CNC1=C(C=CC=N1)C=O Z1198166160 [0,2,0,0,0,0|2,0,0]=4 1196 B10R1.20 CNC1=C(C=CC=N1)CN Z4763824006 [0,2,0,0,0,0|2,0,0]=4 1197 B10R1.20 CNC1=C(N=CC=C1)C#N Z1255418794 [0,2,0,0,0,0|2,0,0]=4 1198 B10R1.20 CNC1=C(N=CC=C1)OC Z1082871982 [0,2,0,0,0,0|1,0,0]=3 1199 B10R1.20 CNC1=C(N=CC=N1)C#N Z995018658 [0,2,0,0,0,0|1,0,0]=3 1200 B10R1.20 COC1=C(C=CC=C1)C#N Z51119297 [0,2,0,0,0,0|2,0,0]=4 1201 B10R1.20 COC1=C(C=CC=C1)C=O Z53833342 [0,2,0,0,0,0|2,0,0]=4 1202 B10R1.20 COC1=C(C=CC=C1)CN Z57102476 [0,2,0,0,0,0|2,0,0]=4 1203 B10R1.20 COC1=C(C=CC=C1)CO Z104479146 [0,2,0,0,0,0|2,0,0]=4 1204 B10R1.20 COC1=C(C=CC=C1)OC Z53833941 [0,2,0,0,0,0|2,0,0]=4 1205 B10R1.20 COC1=C(C=CC=N1)C#N Z31131631 [0,2,0,0,0,0|1,0,0]=3 1206 B10R1.20 COC1=C(C=CC=N1)C=O Z1079442776 [0,2,0,0,0,0|1,0,0]=3 1207 B10R1.20 COC1=C(C=CC=N1)CO Z800297974 [0,2,0,0,0,0|1,0,0]=3 1208 B10R1.20 COC1=C(C=CN=C1)C#N Z1255417094 [0,2,0,0,0,0|1,0,0]=3 1209 B10R1.20 COC1=C(C=CN=C1)CN Z1973465553 [0,2,0,0,0,0|1,0,0]=3 1210 B10R1.20 COC1=C(C=NC=N1)C=O Z1216842967 [0,2,0,0,0,0|2,0,0]=4 1211 B10R1.20 COC1=C(N=CC=C1)C=O Z1198165843 [0,2,0,0,0,0|1,0,0]=3 1212 B10R1.20 COC1=C(N=CC=N1)C=O Z1198266659 [0,2,0,0,0,0|0,0,0]=2 1213 B10R1.20 COC1=C(N=CC=N1)CO Z1661095795 [0,2,0,0,0,0|0,0,0]=2 1214 B10R1.20 COC1=C(N=CN=C1)C=O Z2732449060 [0,2,0,0,0,0|2,0,0]=4 1215 B10R1.20 CSC1=C(C=CC=N1)CO Z1198184816 [0,2,0,0,0,0|1,1,0]=4 1216 B10R1.20 CSC1=C(N=CC=C1)C#N Z1216838155 [0,2,0,0,0,0|1,1,0]=4 1217 B10R1.20 CSC1=C(N=CC=N1)C#N Z995023946 [0,2,0,0,0,0|0,1,0]=3 1218 B10R1.245 COC1=C(C=CC=C1N)Cl Z274541918 [0,2,0,0,0,0|2,0,0]=4 1219 B10R2.6 C1=CC(=CN=C1)C2CO2 Z1187818722 [0,1,0,1,0,0|1,0,0]=3 1220 B10R2.6 C1=CC=C(C=C1)C2CO2 Z104486008 [0,1,0,1,0,0|2,0,0]=4 1221 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 Z1255356265 [0,1,0,1,0,0|2,0,0]=4 1222 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 Z1255390768 [0,1,0,1,0,0|2,0,0]=4 1223 B10R2.6 C1=CN=C(C=C1)C2CO2 Z1187818707 [0,1,0,1,0,0|1,0,0]=3 1224 B10R2.7 C1=CC2=C(C=C1)COC2 Z839134770 [0,1,0,1,0,0|2,0,0]=4 1225 B10R2.7 C1=CC2=C(C=C1)OCC2 Z104505448 [0,1,0,1,0,0|2,0,0]=4 1226 B10R2.7 C1=CC2=C(C=CO2)N=C1 Z2831987589 [0,1,0,1,0,0|1,0,1]=4 1227 B10R2.7 C1=CC2=C(C=N1)CCN2 Z1650168304 [0,1,0,1,0,0|2,0,0]=4 1228 B10R2.7 C1=CC2=C(C=N1)CCO2 Z1681336163 [0,1,0,1,0,0|2,0,0]=4 1229 B10R2.7 C1=CC2=C(C=N1)NCC2 Z1603826893 [0,1,0,1,0,0|2,0,0]=4 1230 B10R2.7 C1=CC2=C(CCN2)N=C1 Z1203748137 [0,1,0,1,0,0|2,0,0]=4 1231 B10R2.7 C1=CC2=C(CNC2)N=C1 Z1741974952 [0,1,0,1,0,0|2,0,0]=4 1232 B10R2.7 C1=CC2=C(N1)N=CC=N2 Z1198233190 [0,1,0,1,0,0|1,0,1]=4 1233 B10R2.7 C1=CC2=C(N=C1)NCC2 Z979438826 [0,1,0,1,0,0|2,0,0]=4 1234 B10R2.7 C1=NC2=C(N=C1)NC=N2 Z1198180623 [0,1,0,1,0,0|1,0,1]=4 1235 B10R2.7 C1=NC2=C(N=C1)SC=N2 Z2044801495 [0,1,0,1,0,0|0,1,1]=4 1236 B6R1.2 BrC1=CNC=N1 Z1213725191 [1,0,0,0,1,0|1,0,1]=4 1237 B6R1.2 CC1=CC=CN1 Z594218440 [1,0,0,0,1,0|0,0,1]=3 1238 B6R1.2 CC1=CC=CO1 Z104472456 [1,0,0,0,1,0|1,0,0]=3 1239 B6R1.2 CC1=CN=CN1 Z1945707502 [1,0,0,0,1,0|0,0,1]=3 1240 B6R1.2 CC1=CN=CO1 Z1198180653 [1,0,0,0,1,0|1,0,0]=3 1241 B6R1.2 CC1=CNC=C1 Z1203730789 [1,0,0,0,1,0|0,0,1]=3 1242 B6R1.2 CC1=CNN=C1 Z600419582 [1,0,0,0,1,0|1,0,0]=3 1243 B6R1.2 CC1=CNN=N1 Z1255358215 [1,0,0,0,1,0|1,0,1]=4 1244 B6R1.2 CC1=COC=N1 Z1198313432 [1,0,0,0,1,0|1,0,0]=3 1245 B6R1.2 CC1=NC=CN1 Z104494990 [1,0,0,0,1,0|0,0,1]=3 1246 B6R1.2 CC1=NNC=C1 Z450469310 [1,0,0,0,1,0|1,0,0]=3 1247 B6R1.2 CC1=NNC=N1 Z939944658 [1,0,0,0,1,0|1,0,0]=3 1248 B6R1.2 CN1C=CC=C1 Z57127895 [1,0,0,0,1,0|2,0,0]=4 1249 B6R1.2 CN1C=CC=N1 Z336081430 [1,0,0,0,1,0|1,0,0]=3 1250 B6R1.2 CN1C=CN=C1 Z104506032 [1,0,0,0,1,0|1,0,0]=3 1251 B6R1.2 CN1C=CN=N1 Z1198221873 [1,0,0,0,1,0|2,0,0]=4 1252 B6R1.2 CN1C=NC=N1 Z237493308 [1,0,0,0,1,0|1,0,0]=3 1253 B6R1.2 CN1C=NN=C1 Z2216303087 [1,0,0,0,1,0|2,0,0]=4 1254 B6R1.2 CN1C=NN=N1 Z1198150919 [1,0,0,0,1,0|2,0,0]=4 1255 B6R1.2 ClC1=CNN=C1 Z275169786 [1,0,0,0,1,0|2,0,0]=4 1256 B6R1.2 ClC1=NC=NN1 Z56788868 [1,0,0,0,1,0|2,0,0]=4 1257 B6R1.2 ClC1=NNC=C1 Z1255493581 [1,0,0,0,1,0|2,0,0]=4 1258 B6R1.2 IC1=CNN=C1 Z1203162050 [1,0,0,0,1,0|2,0,0]=4 1259 B6R1.2 NC1=CC=NO1 Z415654518 [1,0,0,0,1,0|2,0,0]=4 1260 B6R1.2 NC1=CC=NS1 Z2568737642 [1,0,0,0,1,0|2,0,0]=4 1261 B6R1.2 NC1=CNC=N1 Z3241270014 [1,0,0,0,1,0|1,0,1]=4 1262 B6R1.2 NC1=CSC=C1 Z1962138158 [1,0,0,0,1,0|2,0,0]=4 1263 B6R1.2 NC1=CSN=C1 Z2467685283 [1,0,0,0,1,0|2,0,0]=4 1264 B6R1.2 NC1=NC=CN1 Z1262237195 [1,0,0,0,1,0|1,0,1]=4 1265 B6R1.2 NC1=NC=CO1 Z939904646 [1,0,0,0,1,0|2,0,0]=4 1266 B6R1.2 NC1=NC=CS1 Z104472798 [1,0,0,0,1,0|2,0,0]=4 1267 B6R1.2 NC1=NC=NS1 Z1827897976 [1,0,0,0,1,0|2,0,0]=4 1268 B6R1.2 NC1=NNC=C1 Z240126818 [1,0,0,0,1,0|2,0,0]=4 1269 B6R1.2 NC1=NON=C1 Z1203638167 [1,0,0,0,1,0|2,0,0]=4 1270 B6R1.2 NC1=NSN=C1 Z2065788230 [1,0,0,0,1,0|2,0,0]=4 1271 B6R1.2 OC1=NN=CS1 Z1238571564 [1,0,0,0,1,0|2,0,0]=4 1272 B6R1.2 OC1=NOC=C1 Z1255501207 [1,0,0,0,1,0|1,0,0]=3 1273 B6R1.2 OC1=NSN=C1 Z119989398 [1,0,0,0,1,0|1,0,0]=3 1274 B6R1.2 ON1C=CC=N1 Z1198342489 [1,0,0,0,1,0|1,0,0]=3 1275 B6R1.2 SC1=NC=CN1 Z1198723329 [1,0,0,0,1,0|0,1,1]=4 1276 B6R1.2 SC1=NC=NN1 Z56871783 [1,0,0,0,1,0|1,1,0]=4