0 B14R2.1 CNC1=CC=C(C=C1)C2=NC=CS2 Z1082870870 [0,0,0,0,0,0|3,0,0]=3 1 B14R2.1 COC1=CC=C(C=C1)C2=NC=CN2 Z2472856666 [0,0,0,0,0,0|4,0,0]=4 2 B14R2.1 COC1=CC=C(C=C1)C2=NNC=C2 Z815437682 [0,0,0,0,0,0|4,0,0]=4 3 B14R2.1 COC1=CC=C(C=C1)N2C=CC=N2 Z1096154108 [0,0,0,0,0,0|4,0,0]=4 4 B14R2.1 ClCC1=CC=C(C=C1)N2C=CC=N2 Z104343042 [0,0,0,0,0,0|3,0,0]=3 5 B14R2.1 ClCC1=CC=C(C=C1)N2C=CN=C2 Z111874942 [0,0,0,0,0,0|4,0,0]=4 6 B14R2.1 N#CC1=CC=C(C=C1)C2=CC=NN2 Z381429042 [0,0,0,0,0,0|2,0,2]=4 7 B14R2.1 NCC1=CC=C(C=C1)C2=CC=CO2 Z3003010079 [0,0,0,0,0,0|0,1,0]=1 8 B14R2.1 NCC1=CC=C(C=C1)C2=CC=CS2 Z756110816 [0,0,0,0,0,0|0,0,0]=0 9 B14R2.1 NCC1=CC=C(C=C1)C2=CC=NN2 Z3017773512 [0,0,0,0,0,0|2,0,0]=2 10 B14R2.1 NCC1=CC=C(C=C1)C2=CN=CO2 Z2408399172 [0,0,0,0,0,0|1,1,0]=2 11 B14R2.1 NCC1=CC=C(C=C1)C2=CN=CS2 Z5025649931 [0,0,0,0,0,0|1,0,0]=1 12 B14R2.1 NCC1=CC=C(C=C1)C2=CNC=N2 Z2379802711 [0,0,0,0,0,0|2,0,0]=2 13 B14R2.1 NCC1=CC=C(C=C1)C2=NC=CN2 Z3400142503 [0,0,0,0,0,0|2,0,0]=2 14 B14R2.1 NCC1=CC=C(C=C1)C2=NC=CS2 Z1198182400 [0,0,0,0,0,0|1,0,0]=1 15 B14R2.1 NCC1=CC=C(C=C1)C2=NN=CO2 Z1973465502 [0,0,0,0,0,0|2,1,0]=3 16 B14R2.1 NCC1=CC=C(C=C1)C2=NN=NN2 Z1263820307 [0,0,0,0,0,0|4,0,0]=4 17 B14R2.1 NCC1=CC=C(C=C1)C2=NNC=N2 Z3190317789 [0,0,0,0,0,0|3,0,0]=3 18 B14R2.1 NCC1=CC=C(C=C1)N2C=CC=N2 Z406679990 [0,0,0,0,0,0|2,0,0]=2 19 B14R2.1 NCC1=CC=C(C=C1)N2C=CN=C2 Z1267773801 [0,0,0,0,0,0|3,0,0]=3 20 B14R2.1 NCC1=CC=C(C=C1)N2C=CN=N2 Z2515203806 [0,0,0,0,0,0|3,0,0]=3 21 B14R2.1 NCC1=CC=C(C=C1)N2C=NC=N2 Z857667046 [0,0,0,0,0,0|3,0,0]=3 22 B14R2.1 NCC1=CN=C(C=C1)N2C=CC=N2 Z220442156 [0,0,0,0,0,0|3,0,0]=3 23 B14R2.1 NCC1=CN=C(C=C1)N2C=CN=C2 Z223042496 [0,0,0,0,0,0|4,0,0]=4 24 B14R2.1 NCC1=CN=C(C=C1)N2C=NC=N2 Z4967699646 [0,0,0,0,0,0|4,0,0]=4 25 B14R2.1 O=CC1=CC=C(C=C1)C2=CC=CO2 Z1179935673 [0,0,0,0,0,0|1,1,1]=3 26 B14R2.1 O=CC1=CC=C(C=C1)C2=CC=CS2 Z756110738 [0,0,0,0,0,0|1,0,1]=2 27 B14R2.1 O=CC1=CC=C(C=C1)C2=CN=CO2 Z1198180713 [0,0,0,0,0,0|2,1,1]=4 28 B14R2.1 O=CC1=CC=C(C=C1)C2=CSC=C2 Z1201622737 [0,0,0,0,0,0|3,0,1]=4 29 B14R2.1 O=CC1=CC=C(C=C1)C2=NNC=C2 Z3300394022 [0,0,0,0,0,0|3,0,1]=4 30 B14R2.1 O=CC1=CC=C(C=C1)N2C=CC=C2 Z1201622518 [0,0,0,0,0,0|3,0,1]=4 31 B14R2.1 O=CC1=CC=C(C=C1)N2C=CC=N2 Z235340061 [0,0,0,0,0,0|3,0,1]=4 32 B14R2.1 O=CC1=CN=C(N=C1)C2=CC=CS2 Z1013714058 [0,0,0,0,0,0|3,0,1]=4 33 B14R2.1 OCC1=CC=C(C=C1)C2=CNN=C2 Z2467455315 [0,0,0,0,0,0|4,0,0]=4 34 B14R2.1 OCC1=CC=C(C=C1)C2=CSC=C2 Z1201623386 [0,0,0,0,0,0|3,0,0]=3 35 B14R2.1 OCC1=CC=C(C=C1)C2=NNC=C2 Z1255495909 [0,0,0,0,0,0|3,0,0]=3 36 B14R2.1 OCC1=CC=C(C=C1)N2C=CC=N2 Z96091883 [0,0,0,0,0,0|3,0,0]=3 37 B14R2.1 OCC1=CN=C(C=C1)N2C=CC=N2 Z800282552 [0,0,0,0,0,0|4,0,0]=4 38 B13R2.12 BrC1=CC=C(C=C1)C2=CC=NO2 Z1258991018 [1,0,0,0,0,0|2,1,0]=4 39 B13R2.12 BrC1=CC=C(C=C1)C2=CN=CS2 Z1269211869 [1,0,0,0,0,0|2,0,0]=3 40 B13R2.12 BrC1=CC=C(C=C1)C2=CNC=N2 Z1269191577 [1,0,0,0,0,0|3,0,0]=4 41 B13R2.12 BrC1=CC=C(C=C1)C2=CSC=N2 Z1210306692 [1,0,0,0,0,0|3,0,0]=4 42 B13R2.12 BrC1=CC=C(C=C1)C2=NC=CN2 Z728187810 [1,0,0,0,0,0|3,0,0]=4 43 B13R2.12 BrC1=CC=C(C=C1)C2=NC=CS2 Z1210297690 [1,0,0,0,0,0|2,0,0]=3 44 B13R2.12 BrC1=CC=C(C=C1)C2=NNC=C2 Z815437630 [1,0,0,0,0,0|3,0,0]=4 45 B13R2.12 BrC1=CC=C(C=C1)N2C=CC=N2 Z295443784 [1,0,0,0,0,0|3,0,0]=4 46 B13R2.12 CC1=CC=C(C=C1)C2=CN=CO2 Z1201618984 [1,0,0,0,0,0|1,1,0]=3 47 B13R2.12 CC1=CC=C(C=C1)C2=CNN=C2 Z959165490 [1,0,0,0,0,0|3,0,0]=4 48 B13R2.12 CC1=CC=C(C=C1)C2=NC=CS2 Z381429032 [1,0,0,0,0,0|1,0,0]=2 49 B13R2.12 CC1=CC=C(C=C1)C2=NNN=C2 Z1255400292 [1,0,0,0,0,0|3,0,0]=4 50 B13R2.12 CC1=CC=C(C=C1)N2C=CC=C2 Z55669144 [1,0,0,0,0,0|2,0,0]=3 51 B13R2.12 CC1=CN=C(C=C1)C2=NC=CN2 Z2417853471 [1,0,0,0,0,0|3,0,0]=4 52 B13R2.12 ClC1=CC=C(C=C1)C2=CNC=N2 Z2239077877 [1,0,0,0,0,0|3,0,0]=4 53 B13R2.12 ClC1=CC=C(C=C1)C2=NNC=C2 Z3247494392 [1,0,0,0,0,0|3,0,0]=4 54 B13R2.12 FC1=CC=C(C=C1)C2=CNC=N2 Z94601534 [1,0,0,0,0,0|3,0,0]=4 55 B13R2.12 FC1=CC=C(C=C1)C2=NNC=C2 Z336079900 [1,0,0,0,0,0|3,0,0]=4 56 B13R2.12 FC1=CC=C(C=C1)N2C=CC=N2 Z431509854 [1,0,0,0,0,0|3,0,0]=4 57 B13R2.12 IC1=CC=C(C=C1)C2=NNC=C2 Z1269127795 [1,0,0,0,0,0|3,0,0]=4 58 B13R2.12 NC1=CC=C(C=C1)C2=CC=CN2 Z1262575581 [1,0,0,0,0,0|1,0,0]=2 59 B13R2.12 NC1=CC=C(C=C1)C2=CC=CO2 Z1742055083 [1,0,0,0,0,0|0,1,0]=2 60 B13R2.12 NC1=CC=C(C=C1)C2=CN=CO2 Z478697638 [1,0,0,0,0,0|1,1,0]=3 61 B13R2.12 NC1=CC=C(C=C1)C2=CNC=C2 Z1277281155 [1,0,0,0,0,0|2,0,0]=3 62 B13R2.12 NC1=CC=C(C=C1)C2=CSN=N2 Z335450270 [1,0,0,0,0,0|3,0,0]=4 63 B13R2.12 NC1=CC=C(C=C1)C2=NC=CN2 Z992717176 [1,0,0,0,0,0|2,0,0]=3 64 B13R2.12 NC1=CC=C(C=C1)C2=NC=CO2 Z815304296 [1,0,0,0,0,0|1,1,0]=3 65 B13R2.12 NC1=CC=C(C=C1)C2=NC=CS2 Z1272949044 [1,0,0,0,0,0|1,0,0]=2 66 B13R2.12 NC1=CC=C(C=C1)C2=NC=NO2 Z760031264 [1,0,0,0,0,0|2,1,0]=4 67 B13R2.12 NC1=CC=C(C=C1)C2=NN=CN2 Z1266933857 [1,0,0,0,0,0|3,0,0]=4 68 B13R2.12 NC1=CC=C(C=C1)C2=NN=CO2 Z228586394 [1,0,0,0,0,0|2,1,0]=4 69 B13R2.12 NC1=CC=C(C=C1)C2=NN=CS2 Z1262646760 [1,0,0,0,0,0|2,0,0]=3 70 B13R2.12 NC1=CC=C(C=C1)C2=NNC=C2 Z320949640 [1,0,0,0,0,0|2,0,0]=3 71 B13R2.12 NC1=CC=C(C=C1)C2=NOC=C2 Z2901974733 [1,0,0,0,0,0|2,0,0]=3 72 B13R2.12 NC1=CC=C(C=C1)C2=NOC=N2 Z1263820479 [1,0,0,0,0,0|3,0,0]=4 73 B13R2.12 NC1=CC=C(C=C1)N2C=CC=N2 Z235347027 [1,0,0,0,0,0|2,0,0]=3 74 B13R2.12 NC1=CC=C(C=C1)N2C=CN=C2 Z235348111 [1,0,0,0,0,0|3,0,0]=4 75 B13R2.12 NC1=CC=C(C=C1)N2C=CN=N2 Z234898089 [1,0,0,0,0,0|3,0,0]=4 76 B13R2.12 NC1=CC=C(C=C1)N2C=NC=N2 Z235362773 [1,0,0,0,0,0|3,0,0]=4 77 B13R2.12 NC1=CC=C(C=C1)N2N=CC=N2 Z415636606 [1,0,0,0,0,0|3,0,0]=4 78 B13R2.12 NC1=CN=C(C=C1)N2C=CC=N2 Z239137400 [1,0,0,0,0,0|3,0,0]=4 79 B13R2.12 OC1=CC=C(C=C1)C2=CSC=N2 Z1147474009 [1,0,0,0,0,0|3,0,0]=4 80 B13R2.12 OC1=CC=C(C=C1)C2=NC=CN2 Z234896375 [1,0,0,0,0,0|3,0,0]=4 81 B13R2.12 OC1=CC=C(C=C1)C2=NC=CS2 Z808598598 [1,0,0,0,0,0|2,0,0]=3 82 B13R2.12 OC1=CC=C(C=C1)C2=NN=CS2 Z1513857420 [1,0,0,0,0,0|3,0,0]=4 83 B13R2.12 OC1=CC=C(C=C1)C2=NNC=C2 Z1737940715 [1,0,0,0,0,0|3,0,0]=4 84 B13R2.12 OC1=CC=C(C=C1)N2C=CC=C2 Z55669212 [1,0,0,0,0,0|3,0,0]=4 85 B13R2.12 OC1=CC=C(C=C1)N2C=CC=N2 Z1182328284 [1,0,0,0,0,0|3,0,0]=4 86 B15R2.2 CC1=CC=C(S1)C2=CC=C(C=C2)C=O Z1267558910 [0,1,0,0,0,0|1,0,1]=3 87 B15R2.2 CC1=CC=C(S1)C2=CC=C(C=C2)CN Z4461323212 [0,1,0,0,0,0|0,0,0]=1 88 B15R2.2 CC1=NC(=NN1)C2=CC=C(C=C2)CN Z3218022261 [0,1,0,0,0,0|3,0,0]=4 89 B15R2.2 CC1=NN(C=C1)C2=NC=C(C=C2)CN Z3074381618 [0,1,0,0,0,0|3,0,0]=4 90 B15R2.2 CC1=NOC(=N1)C2=CC=C(C=C2)CN Z1473029613 [0,1,0,0,0,0|2,1,0]=4 91 B15R2.2 CCC1=CC=C(C=C1)C2=CSC(=N2)N Z48847651 [0,1,0,0,0,0|3,0,0]=4 92 B15R2.2 CCC1=CC=C(C=C1)C2=NOC(=C2)N Z335438954 [0,1,0,0,0,0|3,0,0]=4 93 B15R2.2 COC1=CC=C(C=C1)C2=CSC(=O)S2 Z173808386 [0,1,0,0,0,0|3,0,0]=4 94 B15R2.2 NCC1=CC=C(C=C1)N2C=C(C=N2)Cl Z2934468213 [0,1,0,0,0,0|2,0,0]=3 95 B15R2.7 CNCC1=CC=C(C=C1)C2=CSC=C2 Z3178891123 [0,1,0,0,0,0|2,0,0]=3 96 B15R2.7 CNCC1=CC=C(C=C1)N2C=NC=N2 Z5228817312 [0,1,0,0,0,0|3,0,0]=4 97 B15R2.7 N#CCC1=CC=C(C=C1)N2C=CC=N2 Z220327460 [0,1,0,0,0,0|2,0,1]=4 98 B15R2.36 CC1=C(SC=N1)C2=CC=C(C=C2)C=O Z2491494366 [0,1,0,0,0,0|2,0,1]=4 99 B15R2.36 CC1=C(SC=N1)C2=CC=C(C=C2)CN Z2671752048 [0,1,0,0,0,0|1,0,0]=2 100 B15R2.36 CC1=C(SC=N1)C2=CC=C(C=C2)CO Z2520728625 [0,1,0,0,0,0|2,0,0]=3 101 B15R2.60 CC(=O)C1=CC=C(C=C1)C2=CC=CS2 Z234809820 [0,1,0,0,0,0|1,0,1]=3 102 B15R2.60 CC(N)C1=CC=C(C=C1)N2C=CC=N2 Z332383424 [0,1,0,0,0,0|2,0,0]=3 103 B15R2.60 CC(N)C1=CC=C(C=C1)N2C=CN=N2 Z1514049455 [0,1,0,0,0,0|3,0,0]=4 104 B15R2.60 CC(N)C1=CC=C(C=C1)N2C=NC=N2 Z85956709 [0,1,0,0,0,0|3,0,0]=4 105 B15R2.60 CC(O)C1=CC=C(C=C1)N2C=CC=N2 Z425773826 [0,1,0,0,0,0|3,0,0]=4 106 B15R2.60 N=C(N)C1=CC=C(C=C1)N2C=CC=N2 Z331857142 [0,1,0,0,0,0|2,0,1]=4 107 B15R2.60 NC(=O)C1=CC=C(C=C1)C2=CNC=N2 Z3026293004 [0,1,0,0,0,0|2,0,1]=4 108 B15R2.60 NC(=O)C1=CC=C(C=C1)C2=CSC=C2 Z1509405965 [0,1,0,0,0,0|2,0,1]=4 109 B15R2.60 NC(=O)C1=CC=C(C=C1)N2C=CC=C2 Z135897628 [0,1,0,0,0,0|2,0,1]=4 110 B15R2.60 NC(=O)C1=CC=C(C=C1)N2C=CC=N2 Z82670287 [0,1,0,0,0,0|2,0,1]=4 111 B15R2.60 O=C(O)C1=CC=C(C=C1)C2=NC=CS2 Z803330510 [0,1,0,0,0,0|2,0,1]=4 112 B15R2.2111 OCC1=CC(=C(C=C1)N2C=CC=N2)F Z362022458 [0,1,0,0,0,0|3,0,0]=4 113 B15R2.2206 CC1=C(C=CC(=C1)N2C=CC=N2)CN Z3004627042 [0,1,0,0,0,0|2,0,0]=3 114 B15R2.2206 N#CC1=CC=C(NC1=O)C2=CC=CS2 Z810411394 [0,1,0,0,0,0|1,0,2]=4 115 B15R2.2206 NCC1=C(C=C(C=C1)N2C=NC=N2)Cl Z1042081452 [0,1,0,0,0,0|3,0,0]=4 116 B15R2.2206 O=CC1=C(C=C(C=C1)C2=CC=CS2)F Z363993640 [0,1,0,0,0,0|1,0,1]=3 117 B13R1.452 CCC1=CC=C(C=C1)C(=O)/C=C/[O-] Z1097067713 [0,0,1,0,0,0|2,1,0]=4 118 B13R2.4 ClCC1=COC(=N1)C2=CC=CS2 Z57036330 [0,0,0,0,1,0|3,0,0]=4 119 B13R2.4 ClCC1=CSC(=N1)C2=CC=CS2 Z57046961 [0,0,0,0,1,0|3,0,0]=4 120 B13R2.4 ClCC1=NOC(=C1)C2=CC=CS2 Z99599686 [0,0,0,0,1,0|3,0,0]=4 121 B13R2.4 NCC1=CC(=CS1)C2=CC=NN2 Z3183252740 [0,0,0,0,1,0|3,0,0]=4 122 B13R2.4 NCC1=CC=C(O1)C2=CC=CO2 Z1436111474 [0,0,0,0,1,0|1,1,0]=3 123 B13R2.4 NCC1=CSC(=N1)C2=CC=CO2 Z802601532 [0,0,0,0,1,0|2,1,0]=4 124 B13R2.4 NCC1=NC(=NN1)C2=CC=CS2 Z1266854872 [0,0,0,0,1,0|3,0,0]=4 125 B13R2.4 NCC1=NC(=NO1)C2=CC=CS2 Z105197244 [0,0,0,0,1,0|3,0,0]=4 126 B13R2.4 NCC1=NOC(=C1)C2=CC=CO2 Z2106603143 [0,0,0,0,1,0|2,1,0]=4 127 B13R2.4 NCC1=NOC(=N1)C2=CC=CS2 Z1881598825 [0,0,0,0,1,0|3,0,0]=4 128 B13R2.4 O=CC1=CC(=CS1)C2=CC=CS2 Z359517750 [0,0,0,0,1,0|2,0,1]=4 129 B13R2.4 O=CC1=CC=C(N1)C2=CC=CS2 Z1198155318 [0,0,0,0,1,0|2,0,1]=4 130 B13R2.4 O=CC1=CC=C(S1)C2=CC=CS2 Z235539706 [0,0,0,0,1,0|2,0,1]=4 131 B13R2.4 OCC1=CN=C(O1)C2=CC=CS2 Z1209979959 [0,0,0,0,1,0|3,0,0]=4 132 B13R2.4 OCC1=CSC(=N1)C2=CC=CS2 Z1255361038 [0,0,0,0,1,0|3,0,0]=4 133 B13R2.4 OCC1=NOC(=C1)C2=CC=CS2 Z431952948 [0,0,0,0,1,0|3,0,0]=4 134 B15R2.1 CNC1=CC=C(C=C1)C2=CC=CC=C2 Z968905522 [0,0,0,0,0,1|3,0,0]=4 135 B15R2.1 ClCC1=CC=C(C=C1)C2=CC=CC=C2 Z56347092 [0,0,0,0,0,1|2,0,0]=3 136 B15R2.1 N#CC1=CC=C(C=C1)C2=CC=CC=C2 Z57900333 [0,0,0,0,0,1|1,0,2]=4 137 B15R2.1 NCC1=CC=C(C=C1)C2=CC=CC=C2 Z2574926617 [0,0,0,0,0,1|1,0,0]=2 138 B15R2.1 NCC1=CC=C(C=C1)C2=CC=NC=C2 Z756099180 [0,0,0,0,0,1|1,0,0]=2 139 B15R2.1 NCC1=CC=C(C=C1)C2=CN=CC=C2 Z3302817320 [0,0,0,0,0,1|1,0,0]=2 140 B15R2.1 NCC1=CC=C(C=C1)C2=CN=CN=C2 Z2867580585 [0,0,0,0,0,1|2,0,0]=3 141 B15R2.1 NCC1=CC=C(C=C1)C2=NC=CC=C2 Z2737262041 [0,0,0,0,0,1|1,0,0]=2 142 B15R2.1 NCC1=CN=C(C=C1)C2=CC=NC=C2 Z4881506896 [0,0,0,0,0,1|2,0,0]=3 143 B15R2.1 O=CC1=CC=C(C=C1)C2=CC=CC=C2 Z104477048 [0,0,0,0,0,1|2,0,1]=4 144 B15R2.1 O=CC1=CC=C(C=C1)C2=CC=NC=C2 Z756099106 [0,0,0,0,0,1|2,0,1]=4 145 B15R2.1 O=CC1=CC=C(C=C1)C2=NC=CC=C2 Z1143356169 [0,0,0,0,0,1|2,0,1]=4 146 B15R2.1 OCC1=CC=C(C=C1)C2=CC=CC=C2 Z104492482 [0,0,0,0,0,1|2,0,0]=3 147 B15R2.1 OCC1=CN=C(C=C1)C2=NC=CC=C2 Z1896565508 [0,0,0,0,0,1|3,0,0]=4 148 B15R2.34 CCC1=CC=C(C=C1)NC2=NC=CS2 Z57053502 [0,0,0,0,0,1|2,0,0]=3 149 B15R2.34 N#CC1=CN=C(C=C1)SC2=CC=CS2 Z335437836 [0,0,0,0,0,1|1,0,2]=4 150 B15R2.34 NCC1=CC=C(C=C1)CN2C=CC=N2 Z135300966 [0,0,0,0,0,1|2,0,0]=3 151 B15R2.34 NCC1=CC=C(C=C1)CN2C=CN=C2 Z199409062 [0,0,0,0,0,1|3,0,0]=4 152 B15R2.34 NCC1=CC=C(C=C1)CN2C=NC=N2 Z188745070 [0,0,0,0,0,1|3,0,0]=4 153 B15R2.34 O=CC1=CC=C(C=C1)CC2=NC=CS2 Z1346127395 [0,0,0,0,0,1|2,0,1]=4 154 B12R1.16 CC1=CC=C(C=C1)C(=O)/C=C/[O-] Z199534162 [1,0,1,0,0,0|1,1,0]=4 155 B12R2.2 C1=CC=C(C=C1)C2=CC=CN2 Z1198155817 [2,0,0,0,0,0|1,0,0]=3 156 B12R2.2 C1=CC=C(C=C1)C2=CC=CS2 Z57040506 [2,0,0,0,0,0|0,0,0]=2 157 B12R2.2 C1=CC=C(C=C1)C2=CC=NN2 Z1224534135 [2,0,0,0,0,0|2,0,0]=4 158 B12R2.2 C1=CC=C(C=C1)C2=CN=CO2 Z1201618668 [2,0,0,0,0,0|1,1,0]=4 159 B12R2.2 C1=CC=C(C=C1)C2=CN=NS2 Z1198147414 [2,0,0,0,0,0|2,0,0]=4 160 B12R2.2 C1=CC=C(C=C1)C2=NC=CN2 Z104492164 [2,0,0,0,0,0|2,0,0]=4 161 B12R2.2 C1=CC=C(C=C1)C2=NC=CS2 Z1198153051 [2,0,0,0,0,0|1,0,0]=3 162 B12R2.2 C1=CC=C(C=C1)N2C=CC=C2 Z55669104 [2,0,0,0,0,0|2,0,0]=4 163 B12R2.2 C1=CC=C(C=C1)N2C=CC=N2 Z188745060 [2,0,0,0,0,0|2,0,0]=4 164 B14R2.20 CC1=CC=C(C=C1)C2=CC(=NO2)O Z1862002575 [1,1,0,0,0,0|1,1,0]=4 165 B14R2.20 CC1=CC=C(C=C1)C2=CN=C(S2)N Z57212937 [1,1,0,0,0,0|1,0,0]=3 166 B14R2.20 CC1=CC=C(C=C1)C2=CSC(=N2)C Z48850615 [1,1,0,0,0,0|2,0,0]=4 167 B14R2.20 CC1=CC=C(C=C1)C2=CSC(=N2)Cl Z1037582804 [1,1,0,0,0,0|2,0,0]=4 168 B14R2.20 CC1=CC=C(C=C1)C2=CSC(=N2)N Z48847560 [1,1,0,0,0,0|2,0,0]=4 169 B14R2.20 CC1=CC=C(C=C1)C2=CSC(=N2)S Z56347422 [1,1,0,0,0,0|2,0,0]=4 170 B14R2.20 CC1=CC=C(C=C1)C2=CSC(=O)N2 Z409413362 [1,1,0,0,0,0|2,0,0]=4 171 B14R2.20 CC1=CC=C(C=C1)C2=CSC(=O)S2 Z212050922 [1,1,0,0,0,0|1,0,0]=3 172 B14R2.20 CC1=CC=C(C=C1)C2=CSC(=S)S2 Z212050924 [1,1,0,0,0,0|1,0,0]=3 173 B14R2.20 CC1=CC=C(C=C1)C2=NNC(=C2)N Z56921093 [1,1,0,0,0,0|2,0,0]=4 174 B14R2.20 CC1=CC=C(C=C1)C2=NOC(=C2)N Z57990855 [1,1,0,0,0,0|2,0,0]=4 175 B14R2.20 CC1=CN=C(N1)C2=CC=C(C=C2)N Z2466682032 [1,1,0,0,0,0|2,0,0]=4 176 B14R2.20 CC1=CSC(=N1)C2=CC=C(C=C2)Cl Z48867288 [1,1,0,0,0,0|2,0,0]=4 177 B14R2.20 CC1=CSC(=N1)C2=CC=C(C=C2)N Z445210000 [1,1,0,0,0,0|1,0,0]=3 178 B14R2.20 CC1=CSC(=N1)C2=CC=C(C=C2)O Z199512996 [1,1,0,0,0,0|2,0,0]=4 179 B14R2.20 CC1=NC(=CO1)C2=CC=C(C=C2)N Z235352191 [1,1,0,0,0,0|2,0,0]=4 180 B14R2.20 CC1=NC(=CS1)C2=CC=C(C=C2)N Z56762308 [1,1,0,0,0,0|2,0,0]=4 181 B14R2.20 CC1=NC=C(O1)C2=CC=C(C=C2)N Z235352197 [1,1,0,0,0,0|1,1,0]=4 182 B14R2.20 CC1=NN(C=C1)C2=CC=C(C=C2)N Z316174658 [1,1,0,0,0,0|2,0,0]=4 183 B14R2.20 NC1=CC=C(C=C1)C2=CNC(=O)N2 Z3243071740 [1,1,0,0,0,0|2,0,0]=4 184 B14R2.20 NC1=CC=C(C=C1)C2=CSC(=N2)N Z56799453 [1,1,0,0,0,0|2,0,0]=4 185 B14R2.20 NC1=CC=C(C=C1)N2C=CC(=O)N2 Z2678251956 [1,1,0,0,0,0|2,0,0]=4 186 B14R2.20 NC1=CN=C(C=C1)C2=CC=C(S2)Cl Z1521396648 [1,1,0,0,0,0|1,0,0]=3 187 B14R2.20 NC1=CN=C(N=C1)C2=CC=C(S2)Br Z381402686 [1,1,0,0,0,0|2,0,0]=4 188 B14R2.20 NC1=NC=C(C=C1)C2=CC=C(S2)Cl Z1395085505 [1,1,0,0,0,0|1,0,0]=3 189 B14R2.20 NC1=NC=C(N=C1)C2=CC=C(S2)Cl Z1395085564 [1,1,0,0,0,0|2,0,0]=4 190 B14R2.20 NC1=NC=C(S1)C2=CC=C(C=C2)Br Z57969174 [1,1,0,0,0,0|2,0,0]=4 191 B14R2.20 NC1=NC=C(S1)C2=CC=C(C=C2)Cl Z732776068 [1,1,0,0,0,0|2,0,0]=4 192 B14R2.20 NC1=NC=C(S1)C2=CC=C(C=C2)F Z732776460 [1,1,0,0,0,0|2,0,0]=4 193 B14R2.20 NC1=NC=C(S1)C2=CC=C(C=C2)O Z4500306976 [1,1,0,0,0,0|2,0,0]=4 194 B14R2.20 NC1=NN=C(C=C1)C2=CC=C(S2)Br Z960884734 [1,1,0,0,0,0|2,0,0]=4 195 B14R2.20 O=C1SC=C(S1)C2=CC=C(C=C2)Br Z212050918 [1,1,0,0,0,0|2,0,0]=4 196 B14R2.20 O=C1SC=C(S1)C2=CC=C(C=C2)F Z173808382 [1,1,0,0,0,0|2,0,0]=4 197 B14R2.20 OC1=CC=C(C=C1)C2=CC(=CS2)F Z4662119441 [1,1,0,0,0,0|1,0,0]=3 198 B14R2.70 CC1=C(C=C(C=C1)C2=NC=CN2)N Z815309788 [1,1,0,0,0,0|2,0,0]=4 199 B14R2.70 CC1=C(C=C(C=C1)C2=NC=CO2)N Z815304284 [1,1,0,0,0,0|1,1,0]=4 200 B14R2.70 CC1=C(C=C(C=C1)N2C=CC=N2)N Z1416158735 [1,1,0,0,0,0|2,0,0]=4 201 B14R2.70 CC1=C(C=CC(=C1)C2=NC=CN2)N Z815309794 [1,1,0,0,0,0|2,0,0]=4 202 B14R2.70 NC1=C(C=C(C=C1)C2=CC=CO2)F Z1179935542 [1,1,0,0,0,0|0,1,0]=3 203 B14R2.70 NC1=C(C=C(C=C1)C2=CC=CS2)N Z1262633780 [1,1,0,0,0,0|0,0,0]=2 204 B14R2.70 NC1=C(C=C(C=C1)C2=NC=CN2)Cl Z1198261348 [1,1,0,0,0,0|2,0,0]=4 205 B14R2.70 NC1=C(C=CC(=C1)C2=CC=CO2)F Z802894448 [1,1,0,0,0,0|1,1,0]=4 206 B14R2.739 NC1=CC(=C(C=C1)C2=CC=CS2)F Z839161492 [1,1,0,0,0,0|0,0,0]=2 207 B14R2.739 NC1=CC(=C(C=C1)N2C=CC=N2)Cl Z239137410 [1,1,0,0,0,0|2,0,0]=4 208 B14R2.739 NC1=CC(=C(C=C1)N2C=CC=N2)F Z594413600 [1,1,0,0,0,0|2,0,0]=4 209 B14R2.926 CC1=CC=C(C=C1)C2=C(C=NN2)Br Z1416200934 [1,1,0,0,0,0|2,0,0]=4 210 B14R2.926 CN1C=CN=C1C2=CC=C(C=C2)N Z728189734 [1,1,0,0,0,0|2,0,0]=4 211 B14R2.926 NC1=C(SC=C1)C2=CC=C(C=C2)Cl Z3537237409 [1,1,0,0,0,0|1,0,0]=3 212 B16R2.1 OCC1=CC=C(C=C1)C2=CC(=CN=C2)O Z3244919620 [0,1,0,0,0,1|2,0,0]=4 213 B16R2.1 OCC1=CC=C(C=C1)C2=NC=CC(=C2)Cl Z1509657701 [0,1,0,0,0,1|2,0,0]=4 214 B16R2.7 CCOC1=CC=C(C=C1)C2=CC=CC=C2 Z53835558 [0,1,0,0,0,1|2,0,0]=4 215 B16R2.7 CNCC1=CC=C(C=C1)C2=CC=CC=C2 Z102766988 [0,1,0,0,0,1|1,0,0]=3 216 B16R2.7 CNCC1=CC=C(C=C1)C2=NC=CC=C2 Z5214959480 [0,1,0,0,0,1|1,0,0]=3 217 B16R2.7 NCCC1=CC=C(C=C1)C2=CC=CC=C2 Z1695709423 [0,1,0,0,0,1|1,0,0]=3 218 B16R2.7 O=CCC1=CC=C(C=C1)C2=CC=CC=C2 Z1198160281 [0,1,0,0,0,1|2,0,0]=4 219 B16R2.13 CC1=NN=C(C=C1)C2=CC=C(C=C2)CO Z1509672731 [0,1,0,0,0,1|2,0,0]=4 220 B16R2.13 NCC1=CC=C(C=C1)C2=CC=C(C=C2)O Z235340113 [0,1,0,0,0,1|1,0,0]=3 221 B16R2.13 NCC1=CC=C(C=C1)C2=CNC(=O)C=C2 Z3325298069 [0,1,0,0,0,1|1,0,0]=3 222 B16R2.47 OCC1=CC=C(C=C1)C2=C(C=CC=C2)O Z1509529495 [0,1,0,0,0,1|2,0,0]=4 223 B16R2.85 CC(N)C1=CC=C(C=C1)C2=CC=CC=C2 Z56347114 [0,1,0,0,0,1|1,0,0]=3 224 B16R2.85 CC(N)C1=CC=C(C=C1)C2=CC=NC=C2 Z756099178 [0,1,0,0,0,1|1,0,0]=3 225 B16R2.85 C[C@@H](O)C1=CC=C(C=C1)C2=CC=CC=C2 Z360055300 [0,1,0,0,0,1|2,0,0]=4 226 B16R2.85 C[C@H](N)C1=CC=C(C=C1)C2=CC=CC=C2 Z1696823682 [0,1,0,0,0,1|1,0,0]=3 227 B16R2.85 C[C@H](O)C1=CC=C(C=C1)C2=CC=CC=C2 Z360055304 [0,1,0,0,0,1|2,0,0]=4 228 B16R2.85 N=C(N)C1=CC=C(C=C1)C2=CC=CC=C2 Z1211228967 [0,1,0,0,0,1|1,0,1]=4 229 B16R2.85 NC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 Z33546675 [0,1,0,0,0,1|1,0,1]=4 230 B16R2.2506 CC1=C(C=CC(=C1)CN)C2=CC=CC=C2 Z1262643850 [0,1,0,0,0,1|1,0,0]=3 231 B16R2.46 CCC1=CC=C(C=C1)C(N)C2=CC=CS2 Z94601340 [0,1,0,0,0,1|1,0,0]=3 232 B16R2.46 COC1=CC=C(C=C1)C(=O)C2=CC=CS2 Z385420850 [0,1,0,0,0,1|2,0,0]=4 233 B16R2.8 CC1=NC(=CS1)C2=CC=C(C=C2)CCN Z123604384 [0,2,0,0,0,0|2,0,0]=4 234 B16R2.48 CCC1=CC=C(C=C1)C2=CC=C(O2)C=O Z385048920 [0,2,0,0,0,0|1,1,0]=4 235 B16R2.48 CCC1=CC=C(C=C1)C2=NC(=CS2)CCl Z57991061 [0,2,0,0,0,0|2,0,0]=4 236 B16R2.48 COC1=CC=C(C=C1)C2=CC=C(S2)CN Z1222330075 [0,2,0,0,0,0|2,0,0]=4 237 B16R2.2827 CC(=O)C1=CC=C(C=C1)C2=CC=C(S2)Br Z235344673 [0,2,0,0,0,0|1,0,1]=4 238 B16R2.2827 CC1=NC(=CS1)C2=CC=C(C=C2)C(C)N Z154666208 [0,2,0,0,0,0|2,0,0]=4 239 B16R2.43 CCC1=CC=C(C=C1)C2=C(N=CS2)CN Z3727462766 [0,2,0,0,0,0|2,0,0]=4 240 B16R2.3126 CC1=CC=C(N1C2=CC=C(C=C2)CN)C Z732210628 [0,2,0,0,0,0|2,0,0]=4 241 B16R2.3212 CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)N Z4104588185 [0,2,0,0,0,0|1,0,0]=3 242 B16R2.2310 CC(C)(N)C1=CC=C(C=C1)C2=CC=NO2 Z4120110302 [0,2,0,0,0,0|1,1,0]=4 243 B16R2.2815 C[C@H](N)C1=CC(=C(C=C1)N2C=CC=N2)F Z2216303088 [0,2,0,0,0,0|2,0,0]=4 244 B16R2.2817 O=C(O)C1=C(C=C(C=C1)C2=CC=CS2)F Z363993302 [0,2,0,0,0,0|1,0,1]=4 245 B14R2.142 NCC1=CC2=C(C=C1)N=CC=C2N Z5405659874 [0,0,1,1,0,0|2,0,0]=4 246 B14R2.1801 NCC1=CC2=C(C=C1)C(=O)C=CN2 Z1836200196 [0,0,1,1,0,0|1,1,0]=4 247 B12R2.6 CC1=NC(=CS1)C2=CC=CS2 Z48850709 [1,0,0,0,1,0|2,0,0]=4 248 B12R2.6 NC1=CC(=NN1)C2=CC=CS2 Z317042252 [1,0,0,0,1,0|2,0,0]=4 249 B12R2.6 NC1=CC(=NO1)C2=CC=CS2 Z255150032 [1,0,0,0,1,0|2,0,0]=4 250 B12R2.6 NC1=NC(=CS1)C2=CC=CS2 Z56766237 [1,0,0,0,1,0|2,0,0]=4 251 B12R2.6 NC1=NOC(=C1)C2=CC=CS2 Z2380404269 [1,0,0,0,1,0|2,0,0]=4 252 B14R2.68 BrC1=CC=C(C=C1)C2=CC=CC=C2 Z57073675 [1,0,0,0,0,1|2,0,0]=4 253 B14R2.68 NC1=CC=C(C=C1)C2=CC=CC=C2 Z56893113 [1,0,0,0,0,1|1,0,0]=3 254 B14R2.68 NC1=CC=C(C=C1)C2=CC=NC=C2 Z756099088 [1,0,0,0,0,1|1,0,0]=3 255 B14R2.68 NC1=CC=C(C=C1)C2=CN=CC=C2 Z732776040 [1,0,0,0,0,1|1,0,0]=3 256 B14R2.68 NC1=CC=C(C=C1)C2=CN=CN=C2 Z992239982 [1,0,0,0,0,1|2,0,0]=4 257 B14R2.68 NC1=CC=C(C=C1)C2=NC=CC=N2 Z1267881702 [1,0,0,0,0,1|1,0,0]=3 258 B14R2.68 NC1=CN=C(C=C1)C2=CC=CC=C2 Z1201622825 [1,0,0,0,0,1|2,0,0]=4 259 B14R2.68 NC1=CN=C(C=C1)C2=CC=NC=C2 Z3989953460 [1,0,0,0,0,1|2,0,0]=4 260 B14R2.68 NC1=NC=C(C=C1)C2=CC=CC=C2 Z363993642 [1,0,0,0,0,1|2,0,0]=4 261 B14R2.68 NC1=NC=C(C=C1)C2=NC=CC=C2 Z1143356138 [1,0,0,0,0,1|2,0,0]=4 262 B14R2.68 OC1=CC=C(C=C1)C2=CC=CC=C2 Z104474848 [1,0,0,0,0,1|2,0,0]=4 263 B14R2.68 OC1=CC=C(C=C1)C2=CC=NC=C2 Z1255396278 [1,0,0,0,0,1|2,0,0]=4 264 B14R2.68 OC1=CC=C(C=C1)C2=CN=CC=C2 Z2967325126 [1,0,0,0,0,1|2,0,0]=4 265 B14R2.68 OC1=CC=C(C=C1)C2=NC=CC=C2 Z1255442675 [1,0,0,0,0,1|2,0,0]=4 266 B14R2.72 NC1=CC=C(C=C1)CC2=NC=CS2 Z5346664207 [1,0,0,0,0,1|1,0,0]=3 267 B14R2.72 NC1=CC=C(C=C1)CN2C=CC=N2 Z239137446 [1,0,0,0,0,1|2,0,0]=4 268 B14R2.72 NC1=CC=C(C=C1)OC2=NC=CS2 Z404017096 [1,0,0,0,0,1|1,0,0]=3 269 B14R2.72 NC1=CC=C(C=C1)SC2=NN=CS2 Z594413674 [1,0,0,0,0,1|2,0,0]=4 270 B14R2.72 NC1=NC=C(C=C1)SC2=CC=CS2 Z335437658 [1,0,0,0,0,1|1,0,0]=3 271 B14R2.72 OC1=CC=C(C=C1)CC2=CC=CS2 Z1513807995 [1,0,0,0,0,1|1,0,0]=3 272 B14R2.72 OC1=CC=C(C=C1)OC2=NC=CS2 Z600416086 [1,0,0,0,0,1|2,0,0]=4 273 B14R2.8 NCC1=CC=C(O1)C2=CC=CC=C2 Z316119992 [0,0,0,0,1,1|2,0,0]=4 274 B14R2.8 NCC1=CC=C(S1)C2=CC=CC=C2 Z2670801365 [0,0,0,0,1,1|2,0,0]=4 275 B14R2.10 N#CC1=CC(=NC=C1)C2=CC=CS2 Z1255440259 [0,0,0,0,1,1|0,0,2]=4 276 B14R2.10 NCC1=CC(=CC=C1)C2=CC=CO2 Z4480681455 [0,0,0,0,1,1|0,1,0]=3 277 B14R2.10 NCC1=CC(=CC=C1)C2=CN=CO2 Z2301516910 [0,0,0,0,1,1|1,1,0]=4 278 B14R2.10 NCC1=CC(=CC=C1)C2=NC=CN2 Z1582263086 [0,0,0,0,1,1|2,0,0]=4 279 B14R2.10 NCC1=CC(=CC=C1)N2C=CC=N2 Z1270210783 [0,0,0,0,1,1|2,0,0]=4 280 B14R2.10 NCC1=CC(=NC=C1)N2C=CC=N2 Z239137426 [0,0,0,0,1,1|2,0,0]=4 281 B16R2.2 CCC1=CC=C(C=C1)OC2=NC=CC=N2 Z53831384 [0,0,0,0,0,2|2,0,0]=4 282 B16R2.2 NCC1=CC=C(C=C1)CC2=CC=CC=C2 Z3480656936 [0,0,0,0,0,2|1,0,0]=3 283 B16R2.2 NCC1=CC=C(C=C1)SC2=CC=CC=C2 Z429582962 [0,0,0,0,0,2|1,0,0]=3 284 B16R2.2 NCC1=CN=C(C=C1)OC2=CC=CC=C2 Z240084234 [0,0,0,0,0,2|2,0,0]=4 285 B16R2.2 NCC1=NC=C(C=C1)OC2=CC=CC=C2 Z2471157077 [0,0,0,0,0,2|2,0,0]=4 286 B16R2.2 OCC1=CC=C(C=C1)CC2=CC=CC=C2 Z1233157998 [0,0,0,0,0,2|2,0,0]=4 287 B16R2.2 OCC1=CC=C(C=C1)OC2=CN=CC=C2 Z381429280 [0,0,0,0,0,2|2,0,0]=4 288 B16R2.42 CCC1=CC=C(C=C1)NCC2=NC=CS2 Z1143220731 [0,0,0,0,0,2|2,0,0]=4 289 B16R2.42 COC1=CC=C(C=C1)NCC2=CC=CS2 Z57052844 [0,0,0,0,0,2|2,0,0]=4 290 B16R2.42 OCC1=CC=C(C=C1)OCC2=CC=CS2 Z111479874 [0,0,0,0,0,2|1,0,0]=3