0 B11R2.1 BrC1=CNC2=C1C=CC=N2 Z1665033561 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.1 IC1=CNC2=C1C=CC=N2 Z1269158296 [0,0,0,0,0,0|4,0,0]=4 2 B11R2.1 IC1=CNC2=C1C=NC=C2 Z1154254658 [0,0,0,0,0,0|4,0,0]=4 3 B10R2.7 C1=CC2=C(C=CN2)C=N1 Z1079456082 [1,0,0,0,0,0|3,0,0]=4 4 B10R2.7 C1=CC2=C(C=CO2)N=C1 Z2831987589 [1,0,0,0,0,0|3,0,0]=4 5 B10R2.7 C1=CC2=C(C=CS2)C=N1 Z810507710 [1,0,0,0,0,0|3,0,0]=4 6 B10R2.7 C1=CC2=C(C=N1)NC=C2 Z871773918 [1,0,0,0,0,0|3,0,0]=4 7 B10R2.7 C1=CC2=C(N1)N=CN=C2 Z1741974263 [1,0,0,0,0,0|2,0,0]=3 8 B10R2.7 C1=CC2=C(N=C1)NC=C2 Z271099378 [1,0,0,0,0,0|3,0,0]=4 9 B10R2.7 C1=CC2=C(N=N1)NC=C2 Z1198313815 [1,0,0,0,0,0|2,0,1]=4 10 B10R2.7 C1=NC=NC2=C1C=NN2 Z1198168658 [1,0,0,0,0,0|3,0,0]=4 11 B10R2.7 C1=NC=NC2=C1NC=N2 Z1203730725 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.1 O=CC1=CNC2=C1C=NC=N2 Z1255425239 [0,1,0,0,0,0|2,0,1]=4 13 B12R2.203 CC1=CSC2=C1C(=NC=N2)Cl Z1201619764 [0,1,0,0,0,0|3,0,0]=4 14 B12R2.203 CN1C=CC2=C1C(=NC=N2)Cl Z1255380437 [0,1,0,0,0,0|3,0,0]=4 15 B12R2.203 ClC1=C2C(=CNC2=NC=N1)I Z1269153491 [0,1,0,0,0,0|3,0,0]=4 16 B12R2.203 ClC1=C2C(=CSC2=NC=N1)Br Z1269232182 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.203 ClC1=C2C(=CSC2=NC=N1)I Z1618023575 [0,1,0,0,0,0|3,0,0]=4 18 B12R2.203 NC1=C2C(=CNC2=NC=N1)I Z1269137020 [0,1,0,0,0,0|3,0,0]=4 19 B12R2.612 CC1=CSC2=C1C=NC(=N2)Cl Z1198329579 [0,1,0,0,0,0|3,0,0]=4 20 B12R2.612 ClC1=NC2=C(C=N1)C(=CN2)Br Z1269128289 [0,1,0,0,0,0|3,0,0]=4 21 B12R2.612 ClC1=NC2=C(C=N1)C(=CN2)I Z1269130924 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.17 O=C/C=C/C1=CC=NC=C1 Z2417822722 [0,0,1,0,0,0|2,0,1]=4 23 B10R1.17 O=C/C=C/C1=NC=CC=C1 Z1255366309 [0,0,1,0,0,0|2,0,1]=4 24 B10R1.20 C=CC1=C(C=CC=N1)C=O Z1198169175 [0,0,1,0,0,0|2,0,1]=4 25 B10R1.61 CC1=C(C=NC=N1)C(=O)O Z444878404 [0,0,1,0,0,0|2,0,1]=4 26 B10R1.61 NC1=C(C=NC=N1)C(=O)O Z56755621 [0,0,1,0,0,0|3,0,0]=4 27 B10R2.32 CC1=CCN2C1=CN=N2 Z1255366153 [0,0,0,0,1,0|2,0,1]=4 28 B12R2.24 BrC1=CC2=C(C=C1)N=CC=C2 Z732220500 [0,0,0,0,0,1|3,0,0]=4 29 B12R2.24 BrC1=CC2=C(C=C1)N=CN=C2 Z1263714006 [0,0,0,0,0,1|2,0,0]=3 30 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 Z277960616 [0,0,0,0,0,1|3,0,0]=4 31 B12R2.24 CC1=CC2=C(C=CN=C2)C=C1 Z1198320696 [0,0,0,0,0,1|3,0,0]=4 32 B12R2.24 ClC1=CC2=C(C=C1)N=CC=C2 Z425469218 [0,0,0,0,0,1|3,0,0]=4 33 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 Z1198150534 [0,0,0,0,0,1|3,0,0]=4 34 B12R2.24 FC1=CC2=C(C=C1)N=CC=C2 Z361878560 [0,0,0,0,0,1|3,0,0]=4 35 B12R2.24 IC1=CC2=C(C=C1)N=CC=C2 Z993990690 [0,0,0,0,0,1|3,0,0]=4 36 B12R2.24 NC1=CC2=C(C=C1)N=CC=C2 Z255114686 [0,0,0,0,0,1|3,0,0]=4 37 B12R2.24 NC1=NC2=C(C=C1)N=CC=C2 Z1198156324 [0,0,0,0,0,1|3,0,0]=4 38 B12R2.24 OC1=CC2=C(C=C1)C=NC=C2 Z2753800586 [0,0,0,0,0,1|2,0,1]=4 39 B12R2.24 OC1=CC2=C(C=C1)CNCC2 Z3018438111 [0,0,0,0,0,1|2,0,1]=4 40 B12R2.24 OC1=CC2=C(C=C1)N=CC=C2 Z759294450 [0,0,0,0,0,1|2,0,0]=3 41 B12R2.24 OC1=CC2=C(C=C1)N=CC=N2 Z636018680 [0,0,0,0,0,1|3,0,0]=4 42 B12R2.24 OC1=CC2=C(C=C1)N=CN=C2 Z1255435182 [0,0,0,0,0,1|1,0,0]=2 43 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 Z57127515 [0,0,0,0,0,1|3,0,0]=4 44 B12R2.24 OC1=CC2=C(C=CN=C2)C=C1 Z56928661 [0,0,0,0,0,1|2,0,0]=3 45 B12R2.1081 BrC1=C2C=NC=CC2=CC=C1 Z1269224644 [0,0,0,0,0,1|3,0,0]=4 46 B12R2.1081 ClC1=C2C=NC=CC2=CC=C1 Z1201624136 [0,0,0,0,0,1|3,0,0]=4 47 B12R2.1081 FC1=C2C=NC=CC2=CC=C1 Z916812496 [0,0,0,0,0,1|3,0,0]=4 48 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 Z381540734 [0,0,0,0,0,1|3,0,0]=4 49 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 Z56919160 [0,0,0,0,0,1|3,0,0]=4 50 B12R2.1081 NC1=C2C=NC=CC2=CC=C1 Z1201619572 [0,0,0,0,0,1|3,0,0]=4 51 B12R2.1081 NC1=C2C=NC=CC2=NC=C1 Z1198157283 [0,0,0,0,0,1|3,0,0]=4 52 B12R2.1081 NC1=C2C=NN=CC2=CC=C1 Z1198176739 [0,0,0,0,0,1|2,0,1]=4 53 B12R2.1081 O=C1NC=CC2=C1C=CC=N2 Z3227107005 [0,0,0,0,0,1|2,0,1]=4 54 B12R2.1081 O=C1NC=CC2=C1C=NC=C2 Z1203731790 [0,0,0,0,0,1|2,0,1]=4 55 B12R2.1081 O=C1NC=CC2=C1C=NC=N2 Z1203746699 [0,0,0,0,0,1|1,0,1]=3 56 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 Z104474036 [0,0,0,0,0,1|3,0,0]=4 57 B12R2.1081 OC1=C2C=CC=CC2=CN=C1 Z1198152661 [0,0,0,0,0,1|3,0,0]=4 58 B12R2.1081 OC1=C2C=CC=CC2=NC=C1 Z818727120 [0,0,0,0,0,1|3,0,0]=4 59 B12R2.1081 OC1=C2C=CC=NC2=NC=C1 Z1198181777 [0,0,0,0,0,1|2,0,0]=3 60 B12R2.1081 OC1=C2C=NC=CC2=CC=C1 Z5141131098 [0,0,0,0,0,1|2,0,0]=3 61 B12R2.1081 OC1=C2C=NC=CC2=NC=C1 Z1335657679 [0,0,0,0,0,1|2,0,0]=3 62 B12R2.1081 OC1=C2C=NC=NC2=CC=C1 Z1198155756 [0,0,0,0,0,1|1,0,0]=2 63 B12R2.1081 OC1=C2CCNCC2=CC=C1 Z2313108218 [0,0,0,0,0,1|2,0,1]=4 64 B12R2.1081 SC1=C2C=NC=NC2=NC=N1 Z1209434362 [0,0,0,0,0,1|2,1,0]=4 65 B9R1.6 O=C(O)C1=CN=CN=C1 Z336079948 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 Z2315575398 [0,1,1,0,0,0|2,0,0]=4 67 B11R1.91 O=C(O)/C=C/C1=NC=CC=C1 Z57069085 [0,1,1,0,0,0|2,0,0]=4 68 B11R1.91 O=C(O)/C=C/C1=NC=NC=C1 Z1184882069 [0,1,1,0,0,0|1,0,0]=3 69 B11R2.10 CC1=CC2=C(N1)C=NC=N2 Z1255417566 [1,1,0,0,0,0|2,0,0]=4 70 B11R2.36 CC1=NC2=C(C=CN2)C=N1 Z1198729301 [1,1,0,0,0,0|2,0,0]=4 71 B11R2.36 ClC1=NC2=C(C=CN2)C=N1 Z1198175094 [1,1,0,0,0,0|2,0,0]=4 72 B11R2.36 ClC1=NC2=C(C=CS2)C=N1 Z1255357890 [1,1,0,0,0,0|2,0,0]=4 73 B11R2.36 ClC1=NC2=C(C=N1)SC=C2 Z1201626541 [1,1,0,0,0,0|2,0,0]=4 74 B11R2.36 FC1=NC2=C(C=N1)SC=C2 Z2568988298 [1,1,0,0,0,0|2,0,0]=4 75 B11R2.106 BrC1=C2C=CNC2=NC=N1 Z1198178310 [1,1,0,0,0,0|2,0,0]=4 76 B11R2.106 BrC1=C2SC=CC2=NC=N1 Z415645034 [1,1,0,0,0,0|2,0,0]=4 77 B11R2.106 ClC1=C2C=CNC2=NC=N1 Z857668178 [1,1,0,0,0,0|2,0,0]=4 78 B11R2.106 ClC1=C2C=CSC2=NC=N1 Z56899146 [1,1,0,0,0,0|2,0,0]=4 79 B11R2.106 ClC1=C2NC=CC2=NC=N1 Z1198169463 [1,1,0,0,0,0|2,0,0]=4 80 B11R2.106 ClC1=C2OC=CC2=NC=N1 Z1198233275 [1,1,0,0,0,0|2,0,0]=4 81 B11R2.106 ClC1=C2SC=CC2=NC=N1 Z169853972 [1,1,0,0,0,0|2,0,0]=4 82 B11R2.106 ClC1=NC=NN2C1=CC=C2 Z1198329757 [1,1,0,0,0,0|2,0,0]=4 83 B11R2.106 NC1=C2C=CSC2=NC=N1 Z316122296 [1,1,0,0,0,0|2,0,0]=4 84 B11R2.106 NC1=C2SC=CC2=NC=N1 Z390143644 [1,1,0,0,0,0|2,0,0]=4 85 B11R2.106 NC1=NC=NN2C1=CC=C2 Z1198176468 [1,1,0,0,0,0|2,0,0]=4 86 B11R2.106 O=C1NN=CC2=C1C=CS2 Z2718939004 [1,1,0,0,0,0|2,0,0]=4 87 B11R2.106 O=C1NN=CC2=C1NC=C2 Z2732447311 [1,1,0,0,0,0|2,0,0]=4 88 B11R2.106 O=C1NN=CN2C1=CC=C2 Z991517164 [1,1,0,0,0,0|2,0,0]=4 89 B11R2.106 SC1=C2C=CSC2=NC=N1 Z203045820 [1,1,0,0,0,0|2,0,0]=4 90 B11R2.106 SC1=C2SC=CC2=NC=N1 Z169851152 [1,1,0,0,0,0|2,0,0]=4 91 B13R2.32 CC1=C2C=CC=NC2=CC=C1O Z3511186693 [0,1,0,0,0,1|2,0,0]=4 92 B13R2.32 OC1=C(C2=C(C=C1)N=CC=C2)Br Z3483423016 [0,1,0,0,0,1|2,0,0]=4 93 B13R2.32 OC1=C(C2=C(C=C1)N=CC=C2)O Z3490235350 [0,1,0,0,0,1|2,0,0]=4 94 B13R2.32 OC1=C(C2=C(C=CN=C2)C=C1)Br Z4912586679 [0,1,0,0,0,1|2,0,0]=4 95 B13R2.57 COC1=CC2=C(C=C1)N=CC=C2 Z166628264 [0,1,0,0,0,1|2,0,0]=4 96 B13R2.57 COC1=CC2=C(C=CN=C2)C=C1 Z839575220 [0,1,0,0,0,1|2,0,0]=4 97 B13R2.57 OCC1=CC2=C(C=C1)N=CC=C2 Z431951974 [0,1,0,0,0,1|2,0,0]=4 98 B13R2.155 CC1=CC2=C(C=CC(=C2)O)N=C1 Z5038876053 [0,1,0,0,0,1|2,0,0]=4 99 B13R2.155 OC1=CC2=C(C=C1)N=CC(=C2)Br Z1269182939 [0,1,0,0,0,1|2,0,0]=4 100 B13R2.155 OC1=CC2=C(C=C1)N=CC(=C2)I Z1269226225 [0,1,0,0,0,1|2,0,0]=4 101 B13R2.162 CC1=C2C=C(C=CC2=NC=N1)Br Z1269235208 [0,1,0,0,0,1|2,0,0]=4 102 B13R2.162 CC1=CC2=C(C=C1)N=CN=C2Cl Z727600030 [0,1,0,0,0,1|2,0,0]=4 103 B13R2.162 CC1=CC2=C(C=C1)N=CN=C2O Z381363646 [0,1,0,0,0,1|2,0,0]=4 104 B13R2.162 ClC1=C2C=C(C=CC2=NC=N1)Br Z316118462 [0,1,0,0,0,1|2,0,0]=4 105 B13R2.162 ClC1=C2C=C(C=CC2=NC=N1)I Z1222427648 [0,1,0,0,0,1|2,0,0]=4 106 B13R2.162 ClC1=CC2=C(C=C1)N=CN=C2Cl Z119990034 [0,1,0,0,0,1|2,0,0]=4 107 B13R2.162 FC1=CC2=C(C=C1)N=CN=C2Cl Z727597198 [0,1,0,0,0,1|2,0,0]=4 108 B13R2.162 NC1=C2C=C(C=CC2=CC=N1)O Z1255359472 [0,1,0,0,0,1|2,0,0]=4 109 B13R2.162 NC1=C2C=C(C=CC2=NC=C1)O Z1255422789 [0,1,0,0,0,1|2,0,0]=4 110 B13R2.162 NC1=C2C=C(C=CC2=NC=N1)Br Z727614732 [0,1,0,0,0,1|2,0,0]=4 111 B13R2.162 NC1=C2C=C(C=CC2=NC=N1)Cl Z727613554 [0,1,0,0,0,1|2,0,0]=4 112 B13R2.162 NC1=C2C=C(C=CC2=NC=N1)F Z727615778 [0,1,0,0,0,1|2,0,0]=4 113 B13R2.162 O=C1N=CNC2=C1C=C(C=C2)O Z1198165599 [0,1,0,0,0,1|1,0,1]=4 114 B13R2.162 OC1=CC2=C(C=C1)N=CN=C2Cl Z1198177079 [0,1,0,0,0,1|1,0,0]=3 115 B13R2.162 SC1=C2C=C(C=CC2=NC=N1)Br Z316118492 [0,1,0,0,0,1|2,0,0]=4 116 B13R2.328 NC1=C2N=CC=CC2=NC(=C1)O Z2235822612 [0,1,0,0,0,1|2,0,0]=4 117 B13R2.328 O=C1C=C(NC2=C1N=CC=C2)O Z2211231693 [0,1,0,0,0,1|2,0,0]=4 118 B13R2.328 OC1=CC(=NC2=C1C=CN=C2)O Z1409331463 [0,1,0,0,0,1|2,0,0]=4 119 B13R2.369 OC1=C(C=C2C=NC=CC2=C1)O Z3892178991 [0,1,0,0,0,1|2,0,0]=4 120 B13R2.369 OC1=C(C=C2N=CC=CC2=C1)Br Z3463125193 [0,1,0,0,0,1|2,0,0]=4 121 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)O Z1201618122 [0,1,0,0,0,1|2,0,0]=4 122 B13R2.3683 CC1=NC2=C(C=N1)C=C(C=C2)Br Z1269122988 [0,1,0,0,0,1|2,0,0]=4 123 B13R2.3683 CC1=NC=C2C=C(C=CC2=C1)O Z5141162648 [0,1,0,0,0,1|2,0,0]=4 124 B13R2.3683 FC1=CC2=C(C=C1)N=C(N=C2)Cl Z1198329580 [0,1,0,0,0,1|2,0,0]=4 125 B13R2.5179 CC1=C2C=CC(=CC2=CN=C1)O Z5234128300 [0,1,0,0,0,1|2,0,0]=4 126 B13R2.5179 O=C1NN=CC2=C1C=CC(=C2)Cl Z1255374703 [0,1,0,0,0,1|2,0,0]=4 127 B13R2.342 O=C1NN=CC2=C(C=CC=C12)Br Z1999520326 [0,1,0,0,0,1|2,0,0]=4 128 B13R2.342 O=C1NN=CC2=C(C=CC=C12)O Z1513831815 [0,1,0,0,0,1|1,0,0]=3 129 B13R2.342 OC1=C2C=NC=C(C2=NC=C1)Br Z2919644735 [0,1,0,0,0,1|2,0,0]=4 130 B13R2.371 OC1=C2C=CC=NC2=C(C=C1)Br Z1269190754 [0,1,0,0,0,1|2,0,0]=4 131 B13R2.371 OC1=C2C=NC=CC2=C(C=C1)F Z4173150555 [0,1,0,0,0,1|2,0,0]=4 132 B13R2.1613 COC1=C2C=CC=NC2=CC=C1 Z1198161023 [0,1,0,0,0,1|2,0,0]=4 133 B13R2.1613 OCC1=C2C=CC=NC2=CC=C1 Z1021448144 [0,1,0,0,0,1|2,0,0]=4 134 B13R2.4818 CC1=C2C(=CC=C1)N=CN=C2Cl Z1082217448 [0,1,0,0,0,1|2,0,0]=4 135 B13R2.4818 CC1=C2C(=CC=C1)N=CN=C2N Z1251346138 [0,1,0,0,0,1|2,0,0]=4 136 B13R2.4818 ClC1=C2C(=CC=CC2=NC=N1)Br Z316120006 [0,1,0,0,0,1|2,0,0]=4 137 B13R2.4818 ClC1=C2C(=CC=CC2=NC=N1)I Z1269111585 [0,1,0,0,0,1|2,0,0]=4 138 B13R2.4818 ClC1=NC=NC2=CC=CC(=C12)Cl Z1157651620 [0,1,0,0,0,1|2,0,0]=4 139 B13R2.4818 FC1=C2C(=CC=C1)N=CN=C2Cl Z727600806 [0,1,0,0,0,1|2,0,0]=4 140 B13R2.4818 NC1=C2C(=CC=CC2=NC=N1)Cl Z1201621756 [0,1,0,0,0,1|2,0,0]=4 141 B13R2.4818 NC1=C2C(=O)C=CNC2=NC=N1 Z1201621908 [0,1,0,0,0,1|1,0,1]=4 142 B13R2.4818 OC1=C2C(=CC=NC2=NC=N1)Br Z2941798109 [0,1,0,0,0,1|2,0,0]=4 143 B13R2.72 O=C(O)C1=CNC2=C1C=NC=N2 Z1255460317 [0,2,0,0,0,0|2,0,0]=4 144 B9R1.41 CC1=C(C=NN1)C(=O)O Z240985542 [0,0,1,0,1,0|1,0,1]=4 145 B9R1.41 NC1=C(C=NN1)C(=O)O Z221429196 [0,0,1,0,1,0|2,0,0]=4 146 B9R2.3 C1=CC2=C(S1)C=NN2 Z1255441058 [1,0,0,0,1,0|1,0,0]=3