0 B8R1.18 CC1=C(SC(=N1)Cl)C Z1037582644 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.18 CC1=C(SC(=N1)N)C Z48847528 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.18 CC1=C(SC(=N1)S)C Z1198148053 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.18 CC1=C(SC(=O)N1)C Z409413538 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.18 CC1=CC(=C(S1)Br)C Z1255397918 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.18 CC1=CC(=C(S1)C)Br Z1198655269 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.18 CC1=CC(=C(S1)C)I Z1347205942 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.18 CC1=CC(=C(S1)C)N Z3013884071 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.18 CC1=CC(=NN1C)C Z1201023055 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.18 CC1=CC(=NN1C)N Z995041200 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.18 CC1=CC(=O)NN1C Z56822474 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.18 CC1=CN(C(=O)N1)C Z1486021538 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.18 CC1=NC(=NN1C)N Z1198175662 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.18 CC1=NN(C(=C1)N)C Z55423092 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.18 CC1=NN(C(=N1)N)C Z56757682 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.18 CC1=NN(C(=O)C1)C Z50146885 [0,0,0,0,0,0|2,0,1]=3 16 B8R1.18 CC1CC(=O)NC1=O Z729209272 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.18 CC1NC(=O)NC1=O Z56862247 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.18 CC1SC(=NC1=O)N Z57104427 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.18 CN1C=C(C=C1N)Br Z4121492788 [0,0,0,0,0,0|2,1,0]=3 20 B8R1.18 CN1C=C(N=C1N)O Z104500556 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.18 CN1CC(=NC1=O)N Z1203653661 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.18 CN1CC(=O)NC1=O Z104473250 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.18 CN1CC(CC1=O)O Z1201051099 [0,0,0,0,0,0|2,0,2]=4 24 B8R1.18 CN1N=C(SC1=O)N Z1203580580 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.18 CN1NC(=N)CC1=O Z1197987885 [0,0,0,0,0,0|2,0,1]=3 26 B8R1.18 CN1NC(=O)C=C1N Z361888728 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.18 CN1NC(=O)N=C1S Z217165566 [0,0,0,0,0,0|3,1,0]=4 28 B8R1.18 CN1NC(=O)NC1=O Z1262691921 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.18 CN1OC(=O)C=C1N Z1203586099 [0,0,0,0,0,0|2,1,0]=3 30 B8R1.18 NC1=C(SC(=C1)Cl)Cl Z1509459810 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.2 BrC1=CSC(=C1)Br Z1245646694 [1,0,0,0,0,0|2,1,0]=4 32 B7R1.2 CC1=CC(=NN1)C Z50145988 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.2 CC1=CC(=NS1)N Z1198165856 [1,0,0,0,0,0|2,0,1]=4 34 B7R1.2 CC1=CC(=O)NO1 Z56761467 [1,0,0,0,0,0|1,1,0]=3 35 B7R1.2 CC1=CC=C(S1)Br Z1255383262 [1,0,0,0,0,0|1,1,0]=3 36 B7R1.2 CC1=CN=C(S1)N Z104500072 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.2 CC1=NC(=O)NN1 Z2234631231 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.2 CC1=NC=C(S1)N Z951517342 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.2 CC1=NNC(=C1)N Z55423088 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.2 CC1=NNC(=O)C1 Z50145989 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.2 CC1=NNC(=O)O1 Z1198174319 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.2 CC1=NSC(=C1)N Z204042038 [1,0,0,0,0,0|2,0,1]=4 43 B7R1.2 CC1=NSC(=N1)Cl Z368555490 [1,0,0,0,0,0|2,0,1]=4 44 B7R1.2 CN1C=C(C=N1)Br Z337709426 [1,0,0,0,0,0|2,1,0]=4 45 B7R1.2 CN1C=C(C=N1)I Z957334240 [1,0,0,0,0,0|2,1,0]=4 46 B7R1.2 CN1C=C(C=N1)N Z1741968059 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.2 CN1C=C(C=N1)O Z1258763763 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.2 CN1C=CC(=N1)O Z1343577415 [1,0,0,0,0,0|2,0,0]=3 49 B7R1.2 CN1C=NC(=C1)N Z2472857442 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.2 CN1C=NC(=N1)N Z57466217 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.2 CN1C=NC(=O)N1 Z1777885320 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.2 ClC1=CC=C(S1)Br Z1203161749 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.2 NC1=CC(=O)NN1 Z1245635875 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.2 NC1=NC(=O)CS1 Z57104428 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.2 O=C1CC(=O)NN1 Z1278925673 [1,0,0,0,0,0|2,0,1]=4 57 B7R1.2 O=C1CNC(=O)N1 Z57131035 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.2 O=C1CSC(=O)N1 Z57131032 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.2 O=C1CSC(=S)N1 Z57127468 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.2 O=C1N=C(NN1)S Z1723849188 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.2 O=C1NC=C(S1)Cl Z1270529019 [1,0,0,0,0,0|2,0,0]=3 62 B7R1.2 O=C1NNC(=O)N1 Z1255461133 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.4 CC1=C(C=CS1)Br Z1201624904 [1,0,0,0,0,0|2,0,0]=3 64 B7R1.4 CC1=CC=NN1C Z826535916 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.4 CN1C=CN=C1Br Z959380970 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.4 CN1C=CN=C1N Z2309759326 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.4 CN1C=CN=C1S Z57901905 [1,0,0,0,0,0|2,1,0]=4 68 B7R1.4 CN1C=CNC1=O Z1198329852 [1,0,0,0,0,0|2,0,0]=3 69 B7R1.4 CN1C=COC1=O Z2732441923 [1,0,0,0,0,0|2,0,0]=3 70 B7R1.4 CN1C=NC=C1Cl Z168874650 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.4 CN1C=NNC1=O Z1526503443 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.4 CN1CCCC1=O Z104478382 [1,0,0,0,0,0|1,0,2]=4 73 B7R1.4 CN1CCNC1=O Z336079928 [1,0,0,0,0,0|2,0,1]=4 74 B7R1.4 CN1CNCC1=O Z1601562352 [1,0,0,0,0,0|2,0,1]=4 75 B7R1.4 CN1N=CC=C1N Z415654476 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.4 CN1N=CN=C1N Z56757681 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.4 CN1N=CN=C1S Z1655141058 [1,0,0,0,0,0|2,1,0]=4 78 B7R1.4 CN1N=NC=C1N Z4351247746 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.4 CN1N=NC=C1O Z4561746935 [1,0,0,0,0,0|2,0,1]=4 80 B7R1.4 CN1NC=NC1=O Z1582263737 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.4 CN1SC=CC1=O Z3227502095 [1,0,0,0,0,0|0,0,0]=1 82 B9R1.22 CC1=C(C=C(S1)Cl)C=O Z2732477786 [0,1,0,0,0,0|1,0,0]=2 83 B9R1.22 CC1=C(N=C(S1)Br)C=O Z1269219955 [0,1,0,0,0,0|2,1,0]=4 84 B9R1.22 CC1=C(SC(=N1)Cl)C=O Z1198727731 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.22 CC1=CC(=C(N1)C)C=O Z85921954 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.22 CC1=CC(=C(O1)C)C=O Z57500361 [0,1,0,0,0,0|2,1,0]=4 87 B9R1.22 CC1=CC(=C(S1)C)C=O Z336080308 [0,1,0,0,0,0|2,0,0]=3 88 B9R1.22 CC1=CC(=C(S1)C)CN Z825742654 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.22 CC1=CC(=C(S1)C)CO Z385370378 [0,1,0,0,0,0|2,0,1]=4 90 B9R1.22 CC1=CC(=C(S1)CN)C Z4739472615 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.22 CC1=CC(=NN1CO)C Z1255427262 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.22 CC1=CN(C(=N1)C=O)C Z1198279983 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.22 CC1=NC(=C(S1)C)C=O Z1216842195 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.22 CC1=NN(C(=C1)C=O)C Z1201621821 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.22 CC1=NN(C(=C1)CN)C Z803051054 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.22 CC1=NN(C(=C1)CO)C Z1201621842 [0,1,0,0,0,0|2,0,1]=4 97 B9R1.22 CC1=NN(C(=N1)C=O)C Z2684283565 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.22 CCC1=CC(=NN1C)N Z995041682 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.22 CCC1SC(=NC1=O)N Z57148419 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.22 CCN1N=C(C=C1N)C Z802540754 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.22 CCN1N=C(CC1=O)C Z277112236 [0,1,0,0,0,0|2,0,1]=4 102 B9R1.22 CN1C=C(C=C1C#N)Br Z1238571568 [0,1,0,0,0,0|2,1,0]=4 103 B9R1.22 CN1C=C(C=C1C#N)Cl Z1813195699 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.22 CN1C=C(C=C1C#N)I Z1813117629 [0,1,0,0,0,0|2,1,0]=4 105 B9R1.22 CN1C=C(C=C1C=O)Br Z1511750481 [0,1,0,0,0,0|1,1,0]=3 106 B9R1.22 CN1C=C(C=C1CN)Br Z3628999432 [0,1,0,0,0,0|2,1,0]=4 107 B9R1.22 CN1C=C(C=C1CN)Cl Z5291276313 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.22 CN1C=C(N=C1C=O)Br Z1504670188 [0,1,0,0,0,0|2,1,0]=4 109 B9R1.22 CN1N=C(C=C1C#N)N Z3326499277 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.22 CN1N=C(C=C1C=O)Br Z1416170989 [0,1,0,0,0,0|1,1,0]=3 111 B9R1.22 COC1=CC(=NN1C)C Z1416158332 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.22 COC1=CC(=NN1C)N Z1741785970 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.22 NCC1=C(C=C(S1)Cl)Br Z4951080071 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.22 NCC1=C(SC(=C1)Cl)Cl Z1696822384 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.22 O=CC1=C(C=C(S1)Cl)Br Z2733250867 [0,1,0,0,0,0|2,0,1]=4 116 B9R1.22 O=CC1=C(C=C(S1)Cl)Cl Z1511762355 [0,1,0,0,0,0|2,0,1]=4 117 B9R1.22 O=CC1=C(SC(=C1)Br)Br Z1190318840 [0,1,0,0,0,0|2,1,0]=4 118 B9R1.22 O=CC1=C(SC(=C1)Br)I Z4359811567 [0,1,0,0,0,0|2,1,0]=4 119 B9R1.22 O=CC1=C(SC(=C1)Cl)Cl Z1190318839 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.22 O=CC1=C(SC(=N1)Cl)Cl Z1511895012 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.22 OCC1=C(SC(=C1)Cl)Cl Z1190319462 [0,1,0,0,0,0|2,0,1]=4 122 B9R1.23 CC1=C(C=C(S1)C=O)Br Z1269128772 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.23 CC1=C(SC(=C1)C=O)C Z1255488969 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.23 CC1=C(SC(=C1)CN)C Z1258578420 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.23 CC1=CC(=NN1C)C#N Z1198164901 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.23 CC1=CC(=NN1C)C=O Z1201623008 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.23 CC1=CC(=NN1C)CN Z3243684506 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.23 CCC1=NN(C(=C1)N)C Z385401436 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.23 CCC1=NN(C(=O)C1)C Z50146895 [0,1,0,0,0,0|2,0,1]=4 130 B9R1.23 CN1N=C(C=C1Cl)C=O Z3243520469 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.23 CN1N=C(C=C1N)CO Z1726083922 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.23 CN1N=C(CC1=O)CN Z1992316430 [0,1,0,0,0,0|2,0,1]=4 133 B9R1.23 COC1=NN(C(=C1)N)C Z2792040941 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.37 CC1=C(C(=C(S1)C)Br)Br Z2889976897 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.37 CC1=C(C(=N)N(N1)C)C Z1266823229 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.37 CC1=CC(=O)N(C1=O)C Z390458732 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.37 CC1=NN(C(=C1Br)C)C Z381353824 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.37 CC1=NN(C(=C1Br)N)C Z854056186 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.37 CC1=NN(C(=C1N)C)C Z57980325 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.37 CC1=NN(C(=C1O)C)C Z1255606287 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.37 CC1=NN(C(=O)C1C)C Z727720668 [0,1,0,0,0,0|2,0,1]=4 142 B9R1.37 CC1C(=O)NC(=O)N1C Z993897304 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.37 CN1C(=O)NC(=O)C1=O Z56963356 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.37 CN1N=C(N(C1=O)C)N Z1203589982 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.37 CN1NC(=O)N(C1=O)C Z2511803350 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.38 CC1(SC(=O)NC1=O)C Z1262691814 [0,1,0,0,0,0|3,0,0]=4 147 B7R0.2 CNC(=O)CC(=N)N Z3024198799 [0,0,1,0,0,0|2,0,1]=4 148 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,0,1,0,0,0|1,1,1]=4 149 B7R0.2 CNC(=O)NC(=O)N Z56755567 [0,0,1,0,0,0|2,1,0]=4 150 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [0,0,1,0,0,0|3,0,0]=4 151 B9R1.34 CC1=CC(=CC(=C1)O)Cl Z1198176469 [0,0,0,0,0,1|2,0,1]=4 152 B9R1.34 CC1=CC(=CC(=O)O1)O Z104477314 [0,0,0,0,0,1|3,0,0]=4 153 B9R1.34 CC1=CC(=O)C=C(N1)C Z56754506 [0,0,0,0,0,1|3,0,0]=4 154 B9R1.34 CC1=CC(=O)C=C(O1)C Z104477080 [0,0,0,0,0,1|2,1,0]=4 155 B9R1.34 CC1=NC(=CC(=N1)Cl)Cl Z916979388 [0,0,0,0,0,1|3,0,0]=4 156 B9R1.34 CC1=NC(=CC(=N1)F)Cl Z2680367272 [0,0,0,0,0,1|3,0,0]=4 157 B9R1.34 CC1=NC(=CC(=O)N1)N Z217102808 [0,0,0,0,0,1|3,0,0]=4 158 B9R1.34 CC1=NC(=NC(=C1)Cl)C Z275019766 [0,0,0,0,0,1|3,0,0]=4 159 B9R1.34 CC1CC(=CC(=O)O1)O Z1255485574 [0,0,0,0,0,1|3,0,0]=4 160 B9R1.34 O=C1C=C(C=C(O1)Cl)Cl Z1258763548 [0,0,0,0,0,1|3,0,0]=4 161 B9R1.69 CC1=C(C=C(C=C1)Cl)N Z104479890 [0,0,0,0,0,1|3,0,0]=4 162 B9R1.69 CC1=C(C=C(C=C1)Cl)O Z384970604 [0,0,0,0,0,1|2,0,1]=4 163 B9R1.69 CC1=C(C=C(N=N1)Cl)Cl Z1258850959 [0,0,0,0,0,1|3,0,0]=4 164 B9R1.69 CC1=C(C=CC(=C1)Cl)N Z104474180 [0,0,0,0,0,1|3,0,0]=4 165 B9R1.69 CC1=C(C=CC(=C1)Cl)O Z104477908 [0,0,0,0,0,1|2,0,1]=4 166 B9R1.69 CC1=C(C=CC(=N1)Cl)I Z1269206091 [0,0,0,0,0,1|3,0,0]=4 167 B9R1.69 CC1=C(C=NC(=N1)Cl)Br Z1269140027 [0,0,0,0,0,1|3,0,0]=4 168 B9R1.69 CC1=C(C=NC(=N1)Cl)F Z1255366771 [0,0,0,0,0,1|3,0,0]=4 169 B9R1.69 CC1=C(C=NC(=N1)Cl)I Z2313106174 [0,0,0,0,0,1|3,0,0]=4 170 B9R1.69 CC1=C(N=C(C=N1)Cl)C Z1255462913 [0,0,0,0,0,1|3,0,0]=4 171 B9R1.69 CC1=C(N=C(N=C1)Cl)C Z1255505274 [0,0,0,0,0,1|3,0,0]=4 172 B9R1.69 CC1=C(N=NC(=C1)Cl)C Z1013743394 [0,0,0,0,0,1|3,0,0]=4 173 B9R1.69 CC1=CC(=CNC1=O)Br Z1251353012 [0,0,0,0,0,1|2,1,0]=4 174 B9R1.69 CC1=CC(=CNC1=O)I Z1258842308 [0,0,0,0,0,1|2,1,0]=4 175 B9R1.69 CC1=CC(=O)C=CC1=O Z57248271 [0,0,0,0,0,1|3,0,0]=4 176 B9R1.69 CC1=CNC(=O)C(=C1)C Z1203732572 [0,0,0,0,0,1|3,0,0]=4 177 B9R1.69 CN1C=C(C=CC1=O)Br Z360013150 [0,0,0,0,0,1|1,1,0]=3 178 B9R1.69 CN1C=C(C=CC1=O)N Z594413772 [0,0,0,0,0,1|2,0,0]=3 179 B9R1.69 CN1C=CC(=CC1=O)N Z2235810134 [0,0,0,0,0,1|2,0,0]=3 180 B9R1.69 CN1C=CC(=NC1=O)N Z1198148063 [0,0,0,0,0,1|3,0,0]=4 181 B9R1.69 CN1C=CC(=O)NC1=O Z154666196 [0,0,0,0,0,1|3,0,0]=4 182 B9R1.69 CN1C=NC(=CC1=O)N Z1203580737 [0,0,0,0,0,1|2,0,0]=3 183 B9R1.69 CN1CC(=O)NCC1=O Z1203730954 [0,0,0,0,0,1|2,0,1]=4 184 B9R1.69 CN1CCC(=NC1=O)N Z2289798132 [0,0,0,0,0,1|3,0,0]=4 185 B9R1.69 CN1CCC(=O)NC1=O Z852405042 [0,0,0,0,0,1|3,0,0]=4 186 B9R1.69 CN1N=CC(=CC1=O)I Z1618126523 [0,0,0,0,0,1|1,1,0]=3 187 B6R0.1 CNC(=O)CCCl Z239813512 [1,0,1,0,0,0|0,0,2]=4 188 B6R0.2 CC(=CC(=O)N)C Z33546934 [1,0,1,0,0,0|2,0,0]=4 189 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [1,0,1,0,0,0|2,0,0]=4 190 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [1,0,1,0,0,0|2,0,0]=4 191 B6R1.2 CC1=CC=CN1 Z594218440 [2,0,0,0,0,0|2,0,0]=4 192 B6R1.2 CC1=CC=CO1 Z104472456 [2,0,0,0,0,0|1,1,0]=4 193 B6R1.2 CC1=CNC=C1 Z1203730789 [2,0,0,0,0,0|2,0,0]=4 194 B6R1.2 CC1=NNC=C1 Z450469310 [2,0,0,0,0,0|2,0,0]=4 195 B6R1.2 CN1C=CC=C1 Z57127895 [2,0,0,0,0,0|1,0,0]=3 196 B6R1.2 CN1C=CC=N1 Z336081430 [2,0,0,0,0,0|1,0,0]=3 197 B6R1.2 CN1C=CN=C1 Z104506032 [2,0,0,0,0,0|2,0,0]=4 198 B6R1.2 CN1C=CN=N1 Z1198221873 [2,0,0,0,0,0|2,0,0]=4 199 B6R1.2 CN1C=NC=N1 Z237493308 [2,0,0,0,0,0|2,0,0]=4 200 B6R1.2 ClC1=CNN=C1 Z275169786 [2,0,0,0,0,0|2,0,0]=4 201 B6R1.2 ClC1=NNC=C1 Z1255493581 [2,0,0,0,0,0|1,0,0]=3 202 B6R1.2 NC1=CC=NS1 Z2568737642 [2,0,0,0,0,0|1,0,1]=4 203 B6R1.2 NC1=CSC=C1 Z1962138158 [2,0,0,0,0,0|2,0,0]=4 204 B6R1.2 NC1=NNC=C1 Z240126818 [2,0,0,0,0,0|2,0,0]=4 205 B6R1.2 O=C1C=CCO1 Z1219048777 [2,0,0,0,0,0|2,0,0]=4 206 B6R1.2 O=C1C=CNN1 Z1198154338 [2,0,0,0,0,0|1,0,0]=3 207 B6R1.2 O=C1C=CSN1 Z1741980421 [2,0,0,0,0,0|0,0,0]=2 208 B6R1.2 O=C1NC=CN1 Z1198148260 [2,0,0,0,0,0|2,0,0]=4 209 B6R1.2 O=C1NC=CS1 Z445210514 [2,0,0,0,0,0|2,0,0]=4 210 B6R1.2 ON1C=CC=N1 Z1198342489 [2,0,0,0,0,0|2,0,0]=4 211 B8R0.19 CNC(=O)NC(=O)CCl Z56895734 [0,1,1,0,0,0|1,1,0]=4 212 B8R1.1 CC1=CC(=CS1)C=O Z1198175165 [1,1,0,0,0,0|2,0,0]=4 213 B8R1.1 CC1=CC=C(S1)C#N Z336080058 [1,1,0,0,0,0|2,0,0]=4 214 B8R1.1 CC1=CC=C(S1)C=O Z104478048 [1,1,0,0,0,0|2,0,0]=4 215 B8R1.1 CC1=CC=C(S1)CO Z381678056 [1,1,0,0,0,0|2,0,0]=4 216 B8R1.1 CC1=NNC(=C1)C=O Z275128658 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.1 CCN1C=CC(=N1)C Z2696515582 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.1 CCN1C=CC(=N1)O Z2941655720 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.1 CN1C=CC(=C1)C#N Z1198315030 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.1 CN1C=CC(=C1)C=O Z1198160553 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.1 CN1C=CC(=N1)C#N Z1116334547 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.1 CN1C=CC(=N1)C=O Z1065726004 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.1 CN1C=CC(=N1)CN Z2724335171 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.1 CN1C=CC(=N1)CO Z802669186 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.1 CNC1=NN(C=C1)C Z1723633645 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.1 COC1=CC(=O)NC1 Z1203730872 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.1 ClCC1=CC=C(S1)Cl Z57039589 [1,1,0,0,0,0|1,0,0]=3 228 B8R1.1 N#CC1=CC=C(S1)Cl Z381355296 [1,1,0,0,0,0|1,0,1]=4 229 B8R1.1 NCC1=CC=C(S1)Br Z336481666 [1,1,0,0,0,0|1,1,0]=4 230 B8R1.1 NCC1=CC=C(S1)Cl Z426041582 [1,1,0,0,0,0|1,0,0]=3 231 B8R1.1 NCC1=CN=C(S1)Cl Z1741976615 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.1 O=CC1=CC(=CN1)I Z1183442838 [1,1,0,0,0,0|1,1,0]=4 233 B8R1.1 O=CC1=CC(=CS1)Cl Z1198313989 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.1 O=CC1=CC=C(S1)Cl Z220630970 [1,1,0,0,0,0|1,0,1]=4 235 B8R1.1 O=CC1=CSC(=C1)Br Z255102440 [1,1,0,0,0,0|1,1,0]=4 236 B8R1.1 O=CC1=CSC(=C1)Cl Z1255367581 [1,1,0,0,0,0|1,0,0]=3 237 B8R1.1 O=CC1=CSC(=N1)Cl Z1201625112 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.1 OCC1=CC=C(S1)Cl Z381678198 [1,1,0,0,0,0|1,0,0]=3 239 B8R1.50 CC1=C(C(=O)NN1)C Z1198151644 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.50 CC1=C(C(=O)NN1)N Z2205958785 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.50 CN1N=CC(=C1N)Cl Z4947384299 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.50 O=C1OCC(=C1Cl)Cl Z1198160971 [1,1,0,0,0,0|2,0,0]=4 243 B8R1.11 C#CC1=CC=NN1C Z1183446001 [1,1,0,0,0,0|2,0,0]=4 244 B8R1.11 CC1=C(C=CO1)C=O Z1079442526 [1,1,0,0,0,0|1,1,0]=4 245 B8R1.11 CC1=C(C=CS1)C=O Z1255365611 [1,1,0,0,0,0|1,0,0]=3 246 B8R1.11 CC1=C(C=CS1)CN Z3034293414 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.11 CC1=C(C=NS1)C=O Z1198279981 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.11 CC1=C(N=CS1)C=O Z1198279987 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.11 CC1=C(SC=C1)CN Z235352157 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.11 CCN1C=CNC1=O Z1198329853 [1,1,0,0,0,0|2,0,0]=4 251 B8R1.11 CCN1N=CC=C1N Z56347291 [1,1,0,0,0,0|2,0,0]=4 252 B8R1.11 CCN1N=CCC1=O Z3477438900 [1,1,0,0,0,0|1,0,1]=4 253 B8R1.11 CN1C=CC=C1C#N Z56766658 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.11 CN1C=CC=C1C=O Z104485562 [1,1,0,0,0,0|1,0,0]=3 255 B8R1.11 CN1C=CC=C1CN Z362827744 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.11 CN1C=CN=C1C=O Z363989438 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.11 CN1C=NC=C1C=O Z1065768466 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.11 CN1N=CC=C1C=O Z325191230 [1,1,0,0,0,0|1,0,0]=3 259 B8R1.11 CN1N=CC=C1CN Z316122740 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.11 CN1N=CC=C1CO Z501748978 [1,1,0,0,0,0|1,0,1]=4 261 B8R1.11 CNC1=CC=NN1C Z1259162018 [1,1,0,0,0,0|2,0,0]=4 262 B8R1.11 NCC1=C(C=CS1)Cl Z3244521023 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.11 O=CC1=C(SC=C1)Br Z1198182415 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.11 O=CC1=C(SC=C1)Cl Z1198181306 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.8 CC1=CC(=CC(=C1)Cl)C=O Z1198331552 [0,1,0,0,0,1|2,0,0]=4 266 B10R1.25 CC1=C(C=CC(=C1)Cl)C=O Z1201621733 [0,1,0,0,0,1|2,0,0]=4 267 B10R1.30 CC1=C(C=C(C=C1)Cl)C=O Z871801780 [0,1,0,0,0,1|2,0,0]=4 268 B10R1.30 CCN1C=C(C=CC1=O)N Z285226454 [0,1,0,0,0,1|2,0,0]=4 269 B10R1.118 CC1=CC(=O)N(C=C1Br)C Z1617987084 [0,1,0,0,0,1|1,1,0]=4 270 B10R1.118 CC1=CN(C(=O)NC1=O)C Z821318488 [0,1,0,0,0,1|2,0,0]=4 271 B10R1.118 CC1=NN(C(=O)NC1=O)C Z1262691908 [0,1,0,0,0,1|2,0,0]=4 272 B10R1.118 CN1C=C(C(=CC1=O)N)Br Z2865844689 [0,1,0,0,0,1|1,1,0]=4 273 B10R1.118 CN1C=C(C(=CC1=O)O)Cl Z1258976765 [0,1,0,0,0,1|1,0,0]=3 274 B10R1.118 CN1C=C(C(=O)NC1=O)Br Z57066633 [0,1,0,0,0,1|1,1,0]=4 275 B10R1.118 CN1C=C(C(=O)NC1=O)F Z821318444 [0,1,0,0,0,1|1,1,0]=4 276 B10R1.118 CN1C=C(C(=O)NC1=O)I Z1343912119 [0,1,0,0,0,1|1,1,0]=4 277 B10R1.119 CC1=C(C(=O)N(C=C1)C)N Z1357337344 [0,1,0,0,0,1|2,0,0]=4 278 B10R1.119 CC1=C(C(=O)N(C=N1)C)Br Z1272120433 [0,1,0,0,0,1|2,0,0]=4 279 B10R1.119 CC1=C(C=CC(=O)N1C)Br Z1486265467 [0,1,0,0,0,1|1,1,0]=4 280 B10R1.119 CN1N=CC(=C(C1=O)Br)Br Z364008430 [0,1,0,0,0,1|1,1,0]=4 281 B10R1.119 CN1N=CC(=C(C1=O)Cl)Cl Z53838334 [0,1,0,0,0,1|1,0,0]=3 282 B10R1.176 C#CC1=CC(=O)N(C=C1)C Z2301240099 [0,1,0,0,0,1|2,0,0]=4 283 B10R1.176 C#CC1=CN(C(=O)C=C1)C Z4323136341 [0,1,0,0,0,1|2,0,0]=4 284 B10R1.176 CN1C=C(C=CC1=O)C=O Z1511755966 [0,1,0,0,0,1|2,0,0]=4 285 B10R1.176 CN1C=CC(=CC1=O)C#N Z1862014266 [0,1,0,0,0,1|2,0,0]=4 286 B10R1.176 CN1C=CC(=CC1=O)C=O Z1511751846 [0,1,0,0,0,1|2,0,0]=4 287 B10R1.176 CN1C=CC(=CC1=O)CCl Z431950928 [0,1,0,0,0,1|1,0,0]=3 288 B10R1.32 CCN1N=C(C=C1C=O)C Z1270329988 [0,2,0,0,0,0|2,0,0]=4 289 B10R1.34 CN1C(=CC(=C1Br)Br)C=O Z1725968348 [0,2,0,0,0,0|1,1,0]=4 290 B10R1.34 CN1C(=CC(=C1Cl)Cl)CN Z1407101542 [0,2,0,0,0,0|2,0,0]=4 291 B10R1.35 C#CC1=CN(C(=C1)C=O)C Z4323142431 [0,2,0,0,0,0|2,0,0]=4 292 B10R1.35 CCC1=NN(C(=C1)C=O)C Z1270331882 [0,2,0,0,0,0|2,0,0]=4 293 B10R1.35 COC1=NN(C(=C1)C=O)C Z1726070384 [0,2,0,0,0,0|2,0,0]=4 294 B10R1.35 CSC1=NN(C(=C1)C=O)C Z4497313022 [0,2,0,0,0,0|2,0,0]=4 295 B10R1.59 CC(=O)C1=C(SC(=C1)Br)C Z1259226776 [0,2,0,0,0,0|1,1,0]=4 296 B10R1.59 CC(=O)C1=C(SC(=C1)C)C Z90122410 [0,2,0,0,0,0|2,0,0]=4 297 B10R1.59 CC(=O)C1=C(SC(=C1)Cl)Cl Z89265801 [0,2,0,0,0,0|2,0,0]=4 298 B10R1.59 CC(=O)C1=CC(=NN1C)C Z1198164845 [0,2,0,0,0,0|2,0,0]=4 299 B10R1.59 CC1=C(C=C(S1)Br)C(=O)O Z1267558920 [0,2,0,0,0,0|1,1,0]=4 300 B10R1.59 CC1=C(N=C(S1)Cl)C(=O)O Z1255493333 [0,2,0,0,0,0|2,0,0]=4 301 B10R1.59 CC1=CC(=C(S1)C)C(=O)O Z90121763 [0,2,0,0,0,0|2,0,0]=4 302 B10R1.59 CC1=NN(C(=C1)C(=O)O)C Z639623346 [0,2,0,0,0,0|2,0,0]=4 303 B10R1.59 CN1C=C(C=C1C(=O)N)N Z1262246197 [0,2,0,0,0,0|2,0,0]=4 304 B10R1.59 CN1C=C(C=C1C(=O)O)Br Z164677890 [0,2,0,0,0,0|1,1,0]=4 305 B10R1.59 CN1C=C(C=C1C(=O)O)Cl Z166651272 [0,2,0,0,0,0|1,0,0]=3 306 B10R1.59 CN1C=C(C=C1C(=O)O)N Z3244827169 [0,2,0,0,0,0|2,0,0]=4 307 B10R1.59 CN1N=C(C=C1C(=O)N)N Z4920108844 [0,2,0,0,0,0|2,0,0]=4 308 B10R1.59 CN1N=C(C=C1C(=O)O)Br Z1480640346 [0,2,0,0,0,0|1,1,0]=4 309 B10R1.59 CN1N=C(C=C1C(=O)O)N Z1198171405 [0,2,0,0,0,0|2,0,0]=4 310 B10R1.59 CN1N=C(C=C1C(=O)O)O Z1205496528 [0,2,0,0,0,0|2,0,0]=4 311 B10R1.59 O=C(O)C1=C(SC(=C1)Cl)Cl Z89283593 [0,2,0,0,0,0|2,0,0]=4 312 B10R1.130 CNCC1=CC(=CN1C)Cl Z1379380756 [0,2,0,0,0,0|2,0,0]=4 313 B10R1.256 CC1=C(C(=C(S1)C)C=O)Br Z2182013577 [0,2,0,0,0,0|2,0,0]=4 314 B10R1.256 CC1=NN(C(=C1Br)C=O)C Z1416198537 [0,2,0,0,0,0|2,0,0]=4 315 B10R1.256 CC1=NN(C(=C1Cl)C=O)C Z1255498752 [0,2,0,0,0,0|2,0,0]=4 316 B10R1.256 CN1N=C(C(=C1C=O)Br)Br Z4921619232 [0,2,0,0,0,0|1,1,0]=4 317 B10R1.256 O=CC1=C(SC(=C1Cl)Cl)Cl Z1269229370 [0,2,0,0,0,0|2,0,0]=4 318 B10R1.58 CC(C)C1=CC(=O)N(N1)C Z1787355592 [0,2,0,0,0,0|2,0,0]=4 319 B10R1.58 CN1NC(=CC1=O)C(=O)O Z2236735605 [0,2,0,0,0,0|2,0,0]=4 320 B10R1.58 CN1OC(=CC1=O)C(=O)O Z1824003143 [0,2,0,0,0,0|1,1,0]=4 321 B10R1.191 CN1C(=O)C(=C(C1=O)Cl)Cl Z1255372921 [0,2,0,0,0,0|1,0,0]=3 322 B8R0.9 CCC(=O)NC=C(Cl)Cl Z57906704 [0,0,1,0,0,1|2,0,0]=4 323 B8R1.3 CC1=CC=C(C=C1)Cl Z56924546 [1,0,0,0,0,1|2,0,0]=4 324 B8R1.3 CC1=CNC(=O)N=C1 Z1098236277 [1,0,0,0,0,1|2,0,0]=4 325 B8R1.3 CC1=NN=C(C=C1)Cl Z432063474 [1,0,0,0,0,1|2,0,0]=4 326 B8R1.3 CC1=NNC(=O)C=C1 Z1201023044 [1,0,0,0,0,1|2,0,0]=4 327 B8R1.3 NC1=NNC(=O)C=C1 Z1723418911 [1,0,0,0,0,1|2,0,0]=4 328 B8R1.3 O=C1C=CC(=CN1)Br Z271004874 [1,0,0,0,0,1|1,1,0]=4 329 B8R1.3 O=C1C=CC(=O)NN1 Z57032544 [1,0,0,0,0,1|2,0,0]=4 330 B8R1.3 O=C1N=CC(=CN1)I Z2471547918 [1,0,0,0,0,1|1,1,0]=4