0 B12R2.246 CC1=CC(=O)C2=C(N1)C=CS2 Z1274223291 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.246 CC1=CC(=O)N2N=CN=C2N1 Z57722870 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.246 CC1=CC(=O)NC2=NC=CN12 Z1509211267 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.246 CC1=CC2=C(NC=C2)C(=O)N1 Z1255368377 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.246 CC1=CC2=C(NC=N2)C(=C1)N Z1551929441 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.246 CC1=CN2N=CC=C2C(=O)N1 Z3301681831 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.246 CC1=NC(=C2C=CN=C2N1)Cl Z1696822330 [0,0,0,0,0,0|3,0,1]=4 7 B12R2.246 CC1=NC(=O)C2=C(N1)C=CS2 Z3221367258 [0,0,0,0,0,0|3,0,1]=4 8 B12R2.246 ClC1=NC2=C(NC=N2)C(=N1)Cl Z1198147229 [0,0,0,0,0,0|2,0,2]=4 9 B12R2.246 NC1=C2NC=NC2=NC(=N1)Cl Z1741971500 [0,0,0,0,0,0|2,0,2]=4 10 B12R2.246 NC1=C2NC=NC2=NC(=N1)F Z1198269560 [0,0,0,0,0,0|2,0,2]=4 11 B12R2.246 NC1=NC(=O)C2=C(N1)N=CN2 Z256709612 [0,0,0,0,0,0|1,0,1]=2 12 B12R2.246 NC1=NC(=S)C2=C(N1)N=CN2 Z2299468139 [0,0,0,0,0,0|1,1,1]=3 13 B12R2.246 NC1=NC2=C(NC=N2)C(=N1)Cl Z2472857685 [0,0,0,0,0,0|2,0,2]=4 14 B12R2.246 O=C1C=C(C2=C(N1)SC=C2)O Z1198181643 [0,0,0,0,0,0|3,0,1]=4 15 B12R2.246 O=C1CC2=C(C=CN2)C(=O)N1 Z1201626909 [0,0,0,0,0,0|2,0,1]=3 16 B12R2.246 O=C1CN2N=CC=C2C(=O)N1 Z4286165160 [0,0,0,0,0,0|3,0,0]=3 17 B12R2.246 O=C1NC(=NC2=C1C=CS2)S Z126620918 [0,0,0,0,0,0|2,1,1]=4 18 B12R2.246 O=C1NC(=NC2=C1SC=C2)S Z315923754 [0,0,0,0,0,0|2,1,1]=4 19 B12R2.246 O=C1NC(=O)C2=C(N1)C=CN2 Z1198175553 [0,0,0,0,0,0|1,0,0]=1 20 B12R2.246 O=C1NC(=O)C2=C(N1)C=CS2 Z287017748 [0,0,0,0,0,0|2,0,0]=2 21 B12R2.246 O=C1NC(=O)C2=C(N1)CCC2 Z56871938 [0,0,0,0,0,0|2,0,1]=3 22 B12R2.246 O=C1NC(=O)C2=C(N1)NC=N2 Z57825360 [0,0,0,0,0,0|0,0,2]=2 23 B12R2.246 O=C1NC(=O)C2=C(N1)SC=N2 Z3241252485 [0,0,0,0,0,0|1,0,1]=2 24 B12R2.246 O=C1NC2=C(C=CS2)C(=O)O1 Z1094751150 [0,0,0,0,0,0|3,0,0]=3 25 B12R2.246 O=C1NC2=C(SC=C2)C(=O)O1 Z1120981370 [0,0,0,0,0,0|3,0,0]=3 26 B11R2.36 BrC1=CC2=C(C=C1)NC=N2 Z382822766 [1,0,0,0,0,0|3,0,0]=4 27 B11R2.36 ClC1=NC2=C(C=N1)NC=N2 Z2895166358 [1,0,0,0,0,0|1,0,2]=4 28 B11R2.36 NC1=CC2=C(C=C1)NC=N2 Z1741960823 [1,0,0,0,0,0|3,0,0]=4 29 B11R2.36 NC1=NC2=C(C=N1)NC=N2 Z2786042704 [1,0,0,0,0,0|1,0,2]=4 30 B11R2.36 O=C1C=CN2N=CN=C2N1 Z234896779 [1,0,0,0,0,0|2,0,1]=4 31 B11R2.36 OC1=CC2=C(C=C1)NC=N2 Z1042386518 [1,0,0,0,0,0|2,0,1]=4 32 B11R2.106 ClC1=C2NC=NC2=NC=N1 Z295458158 [1,0,0,0,0,0|1,0,2]=4 33 B11R2.106 O=C1C=CN=C2N1NC=N2 Z1198279685 [1,0,0,0,0,0|2,0,1]=4 34 B11R2.106 O=C1C=CNC2=C1SC=C2 Z1948933786 [1,0,0,0,0,0|3,0,0]=4 35 B11R2.106 O=C1N=CNC2=C1NC=C2 Z1198184375 [1,0,0,0,0,0|1,0,1]=3 36 B11R2.106 O=C1NC=CC2=C1NC=C2 Z1065582766 [1,0,0,0,0,0|2,0,0]=3 37 B11R2.106 O=C1NC=CC2=C1NN=C2 Z1203746870 [1,0,0,0,0,0|3,0,0]=4 38 B11R2.106 O=C1NC=CC2=C1SC=C2 Z1216812547 [1,0,0,0,0,0|3,0,0]=4 39 B11R2.106 O=C1NC=CC2=NC=CN12 Z1198149460 [1,0,0,0,0,0|3,0,0]=4 40 B11R2.106 O=C1NC=NC2=C1C=CS2 Z56761824 [1,0,0,0,0,0|2,0,1]=4 41 B11R2.106 O=C1NC=NC2=C1N=CN2 Z1954805546 [1,0,0,0,0,0|0,0,3]=4 42 B11R2.106 O=C1NC=NC2=C1N=CS2 Z2757095244 [1,0,0,0,0,0|1,0,2]=4 43 B11R2.106 O=C1NC=NC2=C1SC=C2 Z166665672 [1,0,0,0,0,0|2,0,1]=4 44 B11R2.106 O=C1NCCC2=C1NC=N2 Z1416161289 [1,0,0,0,0,0|1,0,1]=3 45 B11R2.106 O=C1NN=CC2=C1NC=C2 Z2732447311 [1,0,0,0,0,0|3,0,0]=4 46 B11R2.106 O=C1NN=CC2=C1SC=N2 Z2871986826 [1,0,0,0,0,0|3,0,0]=4 47 B11R2.106 OC1=C2NC=NC2=CC=N1 Z2692093689 [1,0,0,0,0,0|1,0,2]=4 48 B11R2.106 S=C1N=CNC2=C1NC=N2 Z2569252111 [1,0,0,0,0,0|0,1,1]=3 49 B13R2.3742 CC1=NC2=C(NC=C2Br)C(=O)N1 Z1269222567 [0,1,0,0,0,0|2,0,1]=4 50 B13R2.4899 CN1C(=O)NC2=C(C1=O)C=CS2 Z1503743424 [0,1,0,0,0,0|2,0,0]=3 51 B13R2.4899 CN1C(=O)NC2=C(C1=O)NC=N2 Z1741978160 [0,1,0,0,0,0|0,0,0]=1 52 B13R2.5393 CN1C(=O)NC(=O)C2=C1N=CN2 Z1741977122 [0,1,0,0,0,0|0,0,0]=1 53 B13R2.5393 CN1C(=O)OC(=O)C2=C1C=CS2 Z2718777052 [0,1,0,0,0,0|3,0,0]=4 54 B13R2.5397 CC1=CC2=C(S1)NC(=O)NC2=O Z1255440908 [0,1,0,0,0,0|2,0,0]=3 55 B13R2.5397 O=C1NC(=O)C2=C(N1)C=C(S2)Cl Z4410565990 [0,1,0,0,0,0|2,0,0]=3 56 B13R2.5397 O=C1NC(=O)C2=C(N1)NC(=O)N2 Z104473370 [0,1,0,0,0,0|0,0,1]=2 57 B13R2.11642 CC1=CC2=C(C(=O)N1)N(C=C2)C Z1268632942 [0,1,0,0,0,0|3,0,0]=4 58 B13R2.11642 CN1N=CC2=C1C(=O)NC(=O)N2 Z1255429801 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.57 CC(=O)NC1=C(SC=C1)C=O Z1222343812 [0,0,1,0,0,0|3,0,0]=4 60 B11R1.199 CCOC(=O)C1=C(N=CN1)N Z1318147494 [0,0,1,0,0,0|2,0,1]=4 61 B11R1.464 CC1=C(C(=O)NC(=O)N1)C#N Z111869236 [0,0,1,0,0,0|3,0,0]=4 62 B11R1.464 CNC1=C(NC(=O)NC1=O)C Z1198169416 [0,0,1,0,0,0|1,0,1]=3 63 B11R2.202 O=C1NC(=O)C2=C1CCC2 Z1255428736 [0,0,0,0,1,0|2,0,1]=4 64 B11R2.202 O=C1NC(=O)C2=CSC=C12 Z1262693419 [0,0,0,0,1,0|3,0,0]=4 65 B13R2.328 CC1=NC2=C(C=CN=C2)C(=O)N1 Z1216862026 [0,0,0,0,0,1|2,0,1]=4 66 B13R2.328 NC1=CC(=O)NC2=C1C=CN=C2 Z4494016044 [0,0,0,0,0,1|3,0,0]=4 67 B13R2.328 O=C1C=C(C2=C(N1)N=CC=C2)Cl Z1509169150 [0,0,0,0,0,1|3,0,0]=4 68 B13R2.328 O=C1C=C(C2=C(N1)N=CC=C2)O Z1198156321 [0,0,0,0,0,1|2,0,1]=4 69 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Z133528266 [0,0,0,0,0,1|3,0,0]=4 70 B13R2.328 O=C1N=C2N=CNC=C2C(=O)N1 Z2732088541 [0,0,0,0,0,1|0,0,1]=2 71 B13R2.328 O=C1N=C2NC=CN=C2C(=O)N1 Z104494912 [0,0,0,0,0,1|0,0,3]=4 72 B13R2.328 O=C1NC(=NC2=C1N=CC=N2)S Z3300501458 [0,0,0,0,0,1|0,1,2]=4 73 B13R2.328 O=C1NC(=O)C2=C(N1)C=CC=C2 Z57177786 [0,0,0,0,0,1|2,0,0]=3 74 B13R2.328 O=C1NC(=O)C2=C(N1)C=CC=N2 Z1201626990 [0,0,0,0,0,1|1,0,1]=3 75 B13R2.328 O=C1NC(=O)C2=C(N1)C=NC=C2 Z1198173337 [0,0,0,0,0,1|1,0,0]=2 76 B13R2.328 O=C1NC(=O)C2=C(N1)CCCC2 Z1201626926 [0,0,0,0,0,1|2,0,1]=4 77 B13R2.328 O=C1NC(=O)C2=C(N1)CCNC2 Z3013892330 [0,0,0,0,0,1|1,0,1]=3 78 B13R2.328 O=C1NC(=O)C2=C(N1)CNCC2 Z3234815953 [0,0,0,0,0,1|1,0,2]=4 79 B13R2.328 O=C1NC(=O)C2=C(O1)C=CC=C2 Z1255365144 [0,0,0,0,0,1|3,0,0]=4 80 B13R2.328 O=C1NC(=O)C2=C(S1)C=CC=C2 Z1649390235 [0,0,0,0,0,1|3,0,0]=4 81 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 Z104472968 [0,0,0,0,0,1|3,0,0]=4 82 B10R1.8 CCC1=CC(=O)NC(=O)N1 Z1255402371 [1,0,1,0,0,0|1,0,1]=4 83 B10R1.8 NCC1=CC(=O)NC(=O)N1 Z2375508286 [1,0,1,0,0,0|0,0,1]=3 84 B10R1.22 CC1=C(C(=O)NC(=O)N1)Cl Z56871944 [1,0,1,0,0,0|1,0,1]=4 85 B10R1.22 CC1=C(C(=O)NC(=O)N1)N Z1365534353 [1,0,1,0,0,0|0,0,1]=3 86 B10R1.22 NC1=C(C(=O)NC(=O)N1)Br Z1269134599 [1,0,1,0,0,0|1,0,1]=4 87 B10R1.22 O=C1NC(=O)C(=O)C(=O)N1 Z104494840 [1,0,1,0,0,0|2,0,0]=4 88 B10R1.25 COC1=CNC(=O)NC1=O Z1198162869 [1,0,1,0,0,0|1,0,1]=4 89 B10R1.25 N#CC1=CNC(=O)NC1=O Z1201618232 [1,0,1,0,0,0|0,0,2]=4 90 B10R1.25 NCC1=CNC(=O)NC1=O Z1262691657 [1,0,1,0,0,0|0,0,2]=4 91 B10R1.25 NNC1=NNC(=O)NC1=O Z56786750 [1,0,1,0,0,0|1,0,1]=4 92 B10R1.25 O=CC1=CNC(=O)NC1=O Z1080487072 [1,0,1,0,0,0|1,0,0]=3 93 B10R1.39 O=CC1=C(NC=C1)C(=O)O Z2894612605 [1,0,1,0,0,0|2,0,0]=4 94 B10R1.39 O=CC1=C(NC=N1)C(=O)O Z2936387970 [1,0,1,0,0,0|1,0,0]=3 95 B10R1.149 CNC(=O)C1=C(N=NN1)N Z2216711589 [1,0,1,0,0,0|1,0,1]=4 96 B10R1.149 COC(=O)C1=C(N=CN1)N Z2009870618 [1,0,1,0,0,0|1,0,1]=4 97 B10R2.7 C1=CC2=C(C=C1)NC=N2 Z57069879 [2,0,0,0,0,0|2,0,0]=4 98 B10R2.7 C1=CC2=C(C=N1)NC=N2 Z1117890443 [2,0,0,0,0,0|1,0,1]=4 99 B10R2.7 C1=NC=NC2=C1NC=N2 Z1203730725 [2,0,0,0,0,0|0,0,2]=4 100 B12R1.511 NC1=C(NC(=O)NC1=O)C(=O)O Z104474086 [0,1,1,0,0,0|2,0,0]=4 101 B12R1.101 O=C(O)CC1=CC(=O)NC(=O)N1 Z57046946 [0,1,1,0,0,0|2,0,0]=4 102 B12R1.15 O=C(CCl)NC(=O)C1=CC=CN1 Z295410654 [0,1,1,0,0,0|2,0,0]=4 103 B12R1.69 O=C1NC=C(C(=O)N1)NCCO Z57283013 [0,1,1,0,0,0|1,0,1]=4 104 B12R2.44 O=CC1=CC2=C(C=C1)NC=N2 Z1021421726 [1,1,0,0,0,0|2,0,0]=4 105 B12R2.196 O=C1NC=NC2=C1NC=C2Br Z1269131065 [1,1,0,0,0,0|1,0,1]=4 106 B12R2.202 CC1=CC2=C(N1)C(=O)NC=N2 Z1203733729 [1,1,0,0,0,0|1,0,1]=4 107 B12R2.203 CN1C=CC2=C1C(=O)NC=C2 Z1170358515 [1,1,0,0,0,0|2,0,0]=4 108 B12R2.203 CN1C=NC2=C1C(=O)NC=N2 Z1694636463 [1,1,0,0,0,0|0,0,1]=3 109 B12R2.203 CN1C=NC2=C1C(=O)NCC2 Z1416186979 [1,1,0,0,0,0|1,0,1]=4 110 B14R2.8045 O=C1NC(=O)C2=CC=CC(=C2N1)F Z1198266470 [0,1,0,0,0,1|2,0,0]=4 111 B14R2.8188 CN1C(=O)NC2=C(C1=O)C=CC=C2 Z164707292 [0,1,0,0,0,1|2,0,0]=4 112 B14R2.8188 NN1C(=O)NC2=C(C1=O)C=CC=C2 Z56928654 [0,1,0,0,0,1|2,0,0]=4 113 B14R2.8188 O=C1NC2=C(C=CC=C2)C(=O)N1O Z1509143415 [0,1,0,0,0,1|2,0,0]=4 114 B14R2.8189 O=C1NC2=C(C=CC=N2)S(=O)(=O)N1 Z1198157758 [0,1,0,0,0,1|2,0,0]=4 115 B14R2.8235 O=C1NC(=O)C2=C(N1)C=CC(=C2)Br Z1269212070 [0,1,0,0,0,1|2,0,0]=4 116 B14R2.8235 O=C1NC(=O)C2=C(N1)C=CC(=C2)Cl Z1201617625 [0,1,0,0,0,1|2,0,0]=4 117 B14R2.8235 O=C1NC(=O)C2=C(N1)C=CC(=C2)F Z1503739886 [0,1,0,0,0,1|2,0,0]=4 118 B14R2.28480 NC1=C2C(=O)NC(=O)NC2=CC=C1 Z1262634750 [0,1,0,0,0,1|2,0,0]=4 119 B14R2.28480 O=C1NC(=O)C2=C(C=CC=C2N1)F Z1198266467 [0,1,0,0,0,1|2,0,0]=4 120 B14R2.29365 NC1=NC2=C(C=C1)C(=O)NC(=O)N2 Z1469805187 [0,1,0,0,0,1|1,0,0]=3 121 B14R2.29365 O=C1NC(=O)C2=C(N1)C=C(C=N2)Br Z1269216848 [0,1,0,0,0,1|1,0,1]=4 122 B14R2.587 CCNC1=NC2=C(NC=N2)C(=O)N1 Z2757407117 [0,2,0,0,0,0|1,0,1]=4 123 B14R2.2925 CN1C(=O)NC2=C(C1=O)NC(=N2)Cl Z1278925156 [0,2,0,0,0,0|0,0,0]=2 124 B14R2.5591 CN1C(=O)C2=C(N=CN2)N(C1=O)C Z203045518 [0,2,0,0,0,0|0,0,0]=2 125 B14R2.24376 CN1C=NC2=C1C(=O)N(C(=O)N2)C Z1255430986 [0,2,0,0,0,0|0,0,0]=2 126 B14R2.3994 CCN1C(=O)NC(=O)C2=C1N=CN2 Z1238571221 [0,2,0,0,0,0|0,0,0]=2 127 B14R2.5745 CN1C=NC2=C1C(=O)NC(=O)N2C Z56347209 [0,2,0,0,0,0|0,0,0]=2 128 B14R2.9026 CC1=NC2=C(N1)C(=O)NC(=O)N2C Z1255450597 [0,2,0,0,0,0|0,0,0]=2 129 B14R2.9026 CN1C(=O)NC(=O)C2=C1N=C(N2)N Z1262626804 [0,2,0,0,0,0|0,0,0]=2 130 B14R2.9026 CN1C(=O)NC(=O)C2=C1NC(=N2)Cl Z763361892 [0,2,0,0,0,0|0,0,2]=4 131 B14R2.27750 CC1=C(C2=C(N1)NC(=O)NC2=O)C Z1262692892 [0,2,0,0,0,0|1,0,1]=4 132 B14R2.27750 CN1C(=O)NC2=C1C(=O)NC(=O)N2 Z1198148402 [0,2,0,0,0,0|0,0,1]=3 133 B14R2.38331 CCC1=CC2=C(S1)NC(=O)NC2=O Z1255437195 [0,2,0,0,0,0|2,0,0]=4 134 B12R2.2028 O=C1NC(=O)C2=C1C=CN=C2 Z1123701770 [0,0,1,1,0,0|2,0,0]=4 135 B12R1.107 N=C(N)NC(=O)C1=NC=CN=C1 Z1740753750 [0,0,1,0,0,1|1,0,1]=4 136 B12R2.1081 O=C1C=CNC2=C1C=CN=C2 Z4513281563 [1,0,0,0,0,1|2,0,0]=4 137 B12R2.1081 O=C1NC=CC2=C1C=CC=N2 Z3227107005 [1,0,0,0,0,1|2,0,0]=4 138 B12R2.1081 O=C1NC=CC2=C1C=NC=N2 Z1203746699 [1,0,0,0,0,1|1,0,1]=4 139 B12R2.1081 O=C1NC=CC2=C1N=CC=N2 Z1203732948 [1,0,0,0,0,1|1,0,1]=4 140 B12R2.1081 O=C1NC=NC2=C1C=CC=N2 Z227832770 [1,0,0,0,0,1|1,0,1]=4 141 B12R2.1081 O=C1NC=NC2=C1C=CN=C2 Z1198269947 [1,0,0,0,0,1|1,0,1]=4 142 B12R2.1081 O=C1NC=NC2=C1N=CC=N2 Z303761220 [1,0,0,0,0,1|0,0,2]=4 143 B12R2.18 O=C1NC2=C(C1=O)C=CC=C2 Z57127903 [0,0,0,0,1,1|2,0,0]=4 144 B14R2.287 O=C1CNC(=O)C2=C(N1)C=CC=C2 Z57234677 [0,0,0,0,0,2|2,0,0]=4