0 B12R2.1081 BrC1=CC=CC2=CN=CC=C12 7213750057 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 4005684 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.1081 CC1=C2C=CC=CC2=NC=C1 2827940 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.1081 CC1=C2N=CC=CC2=CC=C1 2827942 [0,0,0,0,0,0|1,0,0]=1 4 B12R2.1081 ClC1=C2C=CC=CC2=NC=C1 2823586 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.1081 ClC1=C2C=CC=CC2=NC=N1 2833074 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.1081 ClC1=C2C=CN=CC2=CC=N1 5730887 [0,0,0,0,0,0|4,0,0]=4 7 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 2212834 [0,0,0,0,0,0|4,0,0]=4 8 B12R2.1081 NC1=CC=CC2=CC=CC=C12 1507828 [0,0,0,0,0,0|2,0,0]=2 9 B12R2.1081 NC1=CC=CC2=CC=CN=C12 1232989 [0,0,0,0,0,0|1,0,0]=1 10 B12R2.1081 NC1=NC=CC2=CC=CC=C21 1055516 [0,0,0,0,0,0|3,0,0]=3 11 B12R2.1081 O=C1C=CNC2=CC=CC=C12 3644587 [0,0,0,0,0,0|2,0,1]=3 12 B12R2.1081 O=C1C=NNC2=CC=CC=C12 7020542795 [0,0,0,0,0,0|3,0,1]=4 13 B12R2.1081 O=C1NC=CC2=CC=CC=C12 1522001 [0,0,0,0,0,0|2,0,1]=3 14 B12R2.1081 O=C1NC=NC2=CC=CC=C12 7010010203 [0,0,0,0,0,0|3,0,1]=4 15 B12R2.1081 O=C1NN=CC2=C1C=CC=C2 3463424 [0,0,0,0,0,0|3,0,1]=4 16 B12R2.1081 OC1=C2C=CC=CC2=NC=C1 2819403 [0,0,0,0,0,0|2,0,0]=2 17 B12R2.1081 OC1=C2CCCCC2=CC=C1 2819875 [0,0,0,0,0,0|1,0,3]=4 18 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 2828333 [0,0,0,0,0,0|0,0,0]=0 19 B12R2.1081 OC1=CC=CC2=CC=CC=C12 1507830 [0,0,0,0,0,0|1,0,0]=1 20 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 2826575 [1,0,0,0,0,0|0,0,0]=1 21 B11R2.20 C1=CC=C2C=CC=CC2=C1 2826500 [1,0,0,0,0,0|1,0,0]=2 22 B11R2.20 C1=CC=C2C=NC=CC2=C1 2826576 [1,0,0,0,0,0|2,0,0]=3 23 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 3358330 [0,1,0,0,0,0|2,0,0]=3 24 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O 2821948 [0,1,0,0,0,0|1,0,1]=3 25 B13R2.162 CC1=CC=C2N=CC=C(O)C2=C1 3463635 [0,1,0,0,0,0|2,0,0]=3 26 B13R2.162 CC1=CC=C2N=NC=C(O)C2=C1 6466404 [0,1,0,0,0,0|3,0,0]=4 27 B13R2.162 NC1=C2NC(=O)C=CC2=CC=C1 3671265 [0,1,0,0,0,0|1,0,1]=3 28 B13R2.162 NC1=C2OC(=O)C=CC2=CC=C1 2204903 [0,1,0,0,0,0|2,0,0]=3 29 B13R2.162 NC1=CC=C2OC=CC(=O)C2=C1 5973141 [0,1,0,0,0,0|2,0,1]=4 30 B13R2.162 OC1=C2C=C(Cl)C=CC2=NN=C1 6596464 [0,1,0,0,0,0|3,0,0]=4 31 B13R2.162 OC1=CC=NC2=CC=C(Cl)C=C12 1197568 [0,1,0,0,0,0|2,0,0]=3 32 B13R2.328 CC1=CC(=O)C2=CC=CC=C2N1 2822318 [0,1,0,0,0,0|2,0,1]=4 33 B13R2.328 CC1=NC(O)=C2C=CC=CC2=N1 7119572490 [0,1,0,0,0,0|3,0,0]=4 34 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 1088486 [0,1,0,0,0,0|2,0,0]=3 35 B13R2.328 O=C1C=C(O)C2=CC=CC=C2N1 7020542827 [0,1,0,0,0,0|2,0,0]=3 36 B13R2.342 CC1=C2OC=CC(=O)C2=CC=C1 5899706 [0,1,0,0,0,0|2,0,0]=3 37 B13R2.342 NC1=C2C=CC=C(O)C2=CC=C1 2831464 [0,1,0,0,0,0|1,0,0]=2 38 B13R2.342 NC1=C2C=CNC(=O)C2=CC=C1 6850009 [0,1,0,0,0,0|2,0,1]=4 39 B13R2.342 O=C1NC=NC2=C(Br)C=CC=C12 6849451 [0,1,0,0,0,0|2,0,0]=3 40 B13R2.342 O=C1NC=NC2=C(F)C=CC=C12 5946917 [0,1,0,0,0,0|2,0,0]=3 41 B13R2.342 OC1=CC=CC2=C(O)C=CC=C12 2822755 [0,1,0,0,0,0|1,0,0]=2 42 B13R2.371 BrC1=C2C=CN=CC2=C(Br)C=C1 7213750059 [0,1,0,0,0,0|3,0,0]=4 43 B13R2.371 CC1=CC=C(N)C2=CC=CC=C12 1507923 [0,1,0,0,0,0|2,0,0]=3 44 B13R2.371 O=C1C=CC(=O)C2=C1C=CC=C2 2831014 [0,1,0,0,0,0|1,0,1]=3 45 B13R2.371 OC1=C2C=CC=CC2=C(O)C=C1 2822756 [0,1,0,0,0,0|1,0,0]=2 46 B13R2.1613 ClCC1=CC=CC2=CC=CC=C21 2083808 [0,1,0,0,0,0|2,0,0]=3 47 B13R2.1613 N#CC1=CC=CC2=CC=CC=C12 1507829 [0,1,0,0,0,0|2,0,0]=3 48 B13R2.1613 O=CC1=CC=CC2=CC=CC=C12 2083827 [0,1,0,0,0,0|1,0,1]=3 49 B13R2.4818 CC1=CN=CC2=C1C(Br)=CC=C2 4383043 [0,1,0,0,0,0|3,0,0]=4 50 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 22430517 [0,1,0,0,0,0|1,0,0]=2 51 B13R2.5179 OC1=CN=CC2=C1C=CC(Cl)=C2 4401431 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.53 COC1=CC=CN=C1C(=O)O 22430297 [0,0,1,0,0,0|2,0,1]=4 53 B11R1.53 O=CC1=CC=CC=C1C(=O)O 7018801964 [0,0,1,0,0,0|3,0,0]=4 54 B11R2.1 CN1C=CC2=C1C=CC=C2 2826786 [0,0,0,0,1,0|3,0,0]=4 55 B11R2.1 OC1=NNC2=CC=CC=C21 7020542804 [0,0,0,0,1,0|3,0,0]=4 56 B11R2.1 OC1=NOC2=CC=CC=C21 5011377 [0,0,0,0,1,0|3,0,0]=4 57 B11R2.106 CC1=C2NN=CC2=CC=C1 5052268 [0,0,0,0,1,0|2,0,1]=4 58 B11R2.106 C[N+]1=C2C=CNC2=CC=C1 9078846 [0,0,0,0,1,0|3,0,0]=4 59 B11R2.106 ClC1=C2C=NNC2=CC=C1 6850312 [0,0,0,0,1,0|3,0,0]=4 60 B11R2.106 ClC1=C2NC=CC2=CC=C1 4061562 [0,0,0,0,1,0|1,0,1]=3 61 B11R2.106 NC1=C2C=CNC2=CC=C1 15386188 [0,0,0,0,1,0|2,0,0]=3 62 B11R2.106 NC1=CC=CC2=NON=C12 2204781 [0,0,0,0,1,0|3,0,0]=4 63 B11R2.106 NC1=CC=CC2=NSN=C12 1233064 [0,0,0,0,1,0|3,0,0]=4 64 B11R2.106 OC1=NC=NC2=C1SC=C2 9078756 [0,0,0,0,1,0|3,0,0]=4 65 B10R1.4 C=CCC1=C(O)C=CC=C1 2827010 [1,0,1,0,0,0|0,0,1]=3 66 B10R1.10 C\N=C\C1=CC=CC(O)=C1 3644500 [1,0,1,0,0,0|1,0,1]=4 67 B10R1.17 ClC\C=C\C1=CC=CC=C1 5970146 [1,0,1,0,0,0|1,0,1]=4 68 B10R1.17 O=C\C=C\C1=CC=CC=C1 1778825 [1,0,1,0,0,0|1,0,0]=3 69 B10R1.61 CC1=C(C(=O)O)N=CC=C1 2818254 [1,0,1,0,0,0|1,0,1]=4 70 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 3686191 [1,0,1,0,0,0|2,0,0]=4 71 B10R1.245 O=CC1=C(Br)C=CC=C1O 5918061 [1,0,1,0,0,0|2,0,0]=4 72 B12R1.280 C=CCC1=CC=CC(OC)=C1O 7118560687 [0,1,1,0,0,0|1,0,1]=4 73 B12R1.226 NC1=CC(\C=C\C(=O)O)=CC=C1 0125160265 [0,1,1,0,0,0|2,0,0]=4 74 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 7017655176 [0,1,1,0,0,0|2,0,0]=4 75 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 1512411 [0,1,1,0,0,0|2,0,0]=4 76 B12R1.261 O=C(O)C1=C(C(=O)O)N=CC=C1 2842272 [0,1,1,0,0,0|2,0,0]=4 77 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 1361118 [1,1,0,0,0,0|0,0,0]=2 78 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 6871429 [1,1,0,0,0,0|0,0,0]=2 79 B12R2.24 BrC1=CC=C2N=NC=NC2=C1 5977239 [1,1,0,0,0,0|2,0,0]=4 80 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 5012760 [1,1,0,0,0,0|1,0,0]=3 81 B12R2.24 CC1=CC2=C(C=CC=C2)C=C1 2827789 [1,1,0,0,0,0|1,0,0]=3 82 B12R2.24 CC1=NC2=C(C=CC=C2)C=C1 2827938 [1,1,0,0,0,0|0,0,0]=2 83 B12R2.24 FC1=CC2=CC=CC=C2C=C1 5011242 [1,1,0,0,0,0|1,0,0]=3 84 B12R2.24 NC1=NC2=CC=CC=C2CS1 5009562 [1,1,0,0,0,0|1,0,1]=4 85 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 2828560 [1,1,0,0,0,0|1,0,0]=3 86 B12R2.24 O=C1C=NC2=CC=CC=C2N1 7020204758 [1,1,0,0,0,0|1,0,0]=3 87 B12R2.24 OC1=CC2=C(C=C1)N=CC=C2 2819404 [1,1,0,0,0,0|0,0,0]=2 88 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 2828139 [1,1,0,0,0,0|1,0,0]=3 89 B12R2.24 SC1=CC2=CC=CC=C2C=C1 1556415 [1,1,0,0,0,0|1,0,0]=3 90 B12R2.82 NC1=CC=C2NC=CC2=C1Br 3999966 [0,1,0,0,1,0|2,0,0]=4 91 B12R2.202 CC1=C2N=C(N)SC2=CC=C1 7013060744 [0,1,0,0,1,0|2,0,0]=4 92 B12R2.202 CC1=C2N=C(S)NC2=CC=C1 1434327 [0,1,0,0,1,0|2,0,0]=4 93 B12R2.202 CC1=CC2=C(N)C=CC=C2N1 2204819 [0,1,0,0,1,0|2,0,0]=4 94 B12R2.202 CC1=CN2C=CC=C(O)C2=N1 2030900 [0,1,0,0,1,0|1,0,0]=3 95 B12R2.202 FC1=C2N=C(S)OC2=CC=C1 7010485 [0,1,0,0,1,0|2,0,0]=4 96 B12R2.202 FC1=CC=CC2=C1N=C(Cl)S2 1284551 [0,1,0,0,1,0|2,0,0]=4 97 B12R2.202 NC1=NC2=C(C=CC=C2F)S1 1312713 [0,1,0,0,1,0|2,0,0]=4 98 B12R2.246 ClC1=CN2C=CN=C2C(Cl)=C1 5662486 [0,1,0,0,1,0|2,0,0]=4 99 B12R2.315 COC1=CC=CC2=C1NC=C2 4247506 [0,1,0,0,1,0|0,0,1]=3 100 B12R2.315 O=CC1=CC=CC2=C1C=CN2 3355015 [0,1,0,0,1,0|1,0,1]=4 101 B14R2.203 O=CC1=C(O)C=CC2=CC=CC=C21 2129573 [0,2,0,0,0,0|1,0,1]=4 102 B14R2.7724 CN1C(=O)C=C(O)C2=CC=CC=C21 2193680 [0,2,0,0,0,0|2,0,0]=4 103 B14R2.7724 OC1=C2N=CC=CC2=C(Br)C=C1Br 4434847 [0,2,0,0,0,0|0,0,0]=2 104 B14R2.142 CCC1=CC=C2N=CC=C(O)C2=C1 0109850018 [0,2,0,0,0,0|2,0,0]=4 105 B14R2.8045 CC1=C2OC(=O)C=C(O)C2=CC=C1 6850304 [0,2,0,0,0,0|2,0,0]=4 106 B14R2.8045 CC1=CC(=O)C2=C(N1)C(Cl)=CC=C2 2959158 [0,2,0,0,0,0|1,0,1]=4 107 B14R2.8045 CC1=CC(=O)NC2=C(C)C=CC=C12 7569341 [0,2,0,0,0,0|1,0,1]=4 108 B14R2.8045 CC1=CC(=S)NC2=C(C)C=CC=C12 7020366386 [0,2,0,0,0,0|1,0,1]=4 109 B14R2.8045 CC1=CC(Cl)=NC2=C1C=CC=C2C 7018930012 [0,2,0,0,0,0|1,0,0]=3 110 B14R2.8045 CC1=NC2=C(C)C=CC=C2C(Cl)=C1 7020420363 [0,2,0,0,0,0|1,0,0]=3 111 B14R2.8045 CC1=NC2=C(O)C=CC=C2C(O)=C1 7020542471 [0,2,0,0,0,0|0,0,0]=2 112 B14R2.8235 CC1=CC=C2N=C(C)C=C(O)C2=C1 7011830090 [0,2,0,0,0,0|2,0,0]=4 113 B14R2.8235 CC1=CC=C2OC(=O)C=C(O)C2=C1 1392626 [0,2,0,0,0,0|2,0,0]=4 114 B14R2.8235 CC1=NC2=CC=C(Br)C=C2C(O)=C1 7013060576 [0,2,0,0,0,0|2,0,0]=4 115 B14R2.8235 CC1=NC2=CC=C(Cl)C=C2C(O)=C1 7011830097 [0,2,0,0,0,0|2,0,0]=4 116 B14R2.8235 CC1=NC2=CC=C(F)C=C2C(O)=C1 7015580001 [0,2,0,0,0,0|2,0,0]=4 117 B14R2.8235 CC1=NC2=CC=C(O)C=C2C(O)=C1 2630822 [0,2,0,0,0,0|2,0,0]=4 118 B14R2.8235 O=C1C=C(O)C2=CC(F)=CC=C2O1 5009339 [0,2,0,0,0,0|2,0,0]=4 119 B14R2.8751 CC1=NC2=C(O)C=CC(Br)=C2C=C1 4396037 [0,2,0,0,0,0|0,0,0]=2 120 B14R2.1146 CC1=NC2=C(C=CC=C2)C(CO)=C1 2659358 [0,2,0,0,0,0|2,0,0]=4 121 B14R2.1073 COC1=CC=CC2=CC(=O)NC=C21 6050975 [0,2,0,0,0,0|2,0,0]=4 122 B14R2.7150 CNCC1=C2C=CC=CC2=CC=C1 2992588 [0,2,0,0,0,0|2,0,0]=4 123 B14R2.7150 S=C=NC1=C2C=CC=CC2=CC=C1 2927729 [0,2,0,0,0,0|1,1,0]=4 124 B14R2.31359 CC(=O)C1=CC=CC2=CC=CC=C21 1312959 [0,2,0,0,0,0|1,0,1]=4 125 B14R2.31359 NC(=S)C1=C2C=CC=CC2=CC=C1 7020331326 [0,2,0,0,0,0|1,1,0]=4 126 B14R2.31359 O=C(O)C1=C2C=CC=CC2=CC=C1 7210540007 [0,2,0,0,0,0|1,0,0]=3 127 B14R2.31359 O=C(O)C1=C2C=CC=CC2=CC=N1 2836564 [0,2,0,0,0,0|2,0,0]=4 128 B12R2.2 C1=CC=C(C2=CC=CS2)C=C1 5980454 [0,0,1,1,0,0|1,1,0]=4 129 B12R2.2 C1=CN=C(C2=NNC=C2)C=C1 2819415 [0,0,1,1,0,0|2,0,0]=4 130 B12R2.32 NNC1=NC2=C(C=CC=C2)O1 0116640014 [0,0,1,1,0,0|2,0,0]=4 131 B12R2.32 O=CC1=CC2=CC=CC=C2O1 1178897 [0,0,1,1,0,0|2,0,0]=4 132 B10R2.7 C1=CC2=CN=CC=C2N1 4061043 [1,0,0,0,1,0|1,0,1]=4 133 B10R2.7 C1=CC2=NC=CN2C=C1 2817228 [1,0,0,0,1,0|1,0,0]=3 134 B10R2.7 C1=CC2=NN=CN2C=C1 6248250 [1,0,0,0,1,0|2,0,0]=4 135 B10R2.7 C1=CC2=NSN=C2C=C1 7020556981 [1,0,0,0,1,0|2,0,0]=4 136 B10R2.7 C1=CC=C2N=S=NC2=C1 7017520014 [1,0,0,0,1,0|2,0,0]=4 137 B10R2.7 C1=CC=C2NC=CC2=C1 2826038 [1,0,0,0,1,0|0,0,1]=3 138 B10R2.7 C1=CC=C2NC=NC2=C1 1234652 [1,0,0,0,1,0|1,0,0]=3 139 B10R2.7 C1=CC=C2NN=CC2=C1 1435639 [1,0,0,0,1,0|1,0,1]=4 140 B10R2.7 C1=CC=C2NN=NC2=C1 2030889 [1,0,0,0,1,0|2,0,0]=4 141 B10R2.7 C1=CN2C=CN=C2N=C1 5918066 [1,0,0,0,1,0|2,0,0]=4 142 B10R2.7 C1=CN=C2C=CNC2=C1 4061045 [1,0,0,0,1,0|1,0,0]=3