0 B14R2.781 CC(C)C1=CC2=CC=CN=C2C=C1 3H32-1-KS [0,0,0,0,0,0|2,0,1]=3 1 B14R2.781 C[C@H](N)C1=CC2=CC=NC=C2C=C1 3H30-1-S9 [0,0,0,0,0,0|2,0,1]=3 2 B14R2.781 NC(=O)C1=CC2=CC=CC=C2OC1 4H48-1-039 [0,0,0,0,0,0|2,0,1]=3 3 B14R2.781 O=C(O)C1=CC2=CC=NC=C2N=C1 4H21-1-NZ [0,0,0,0,0,0|3,0,0]=3 4 B14R2.781 O=C(O)C1=CN=C2C=CN=CC2=C1 4H21-1-XD [0,0,0,0,0,0|3,0,0]=3 5 B14R2.781 O=C(O)C1=NC2=CC=CN=C2C=C1 4H21-1-Z1 [0,0,0,0,0,0|3,0,0]=3 6 B14R2.781 O=[N+]([O-])C1=CC2=CC=CC=C2N=C1 4H54-1-LV [0,0,0,0,0,0|3,0,0]=3 7 B14R2.781 OB(O)C1=NC2=CC=CC=C2C=C1 8H60-1-J5 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.57 BrCC1=CC2=CC=CN=C2C=C1 3H32-9-AB [1,0,0,0,0,0|2,0,1]=4 9 B13R2.57 COC1=CC2=NC=NC=C2C=C1 4H07-1-1U [1,0,0,0,0,0|3,0,0]=4 10 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 3H32-5-LM [1,0,0,0,0,0|2,0,1]=4 11 B13R2.57 NCC1=CC2=CC=NC=C2C=C1 3H30-5-6G [1,0,0,0,0,0|2,0,1]=4 12 B13R2.57 NCC1=CC2=NC=CC=C2C=C1 3H30-1-6U [1,0,0,0,0,0|2,0,1]=4 13 B15R2.984 CC(=O)C1=C(C)NC2=CC=CC=C2S1 8H17-1-0B [0,1,0,0,0,0|2,0,0]=3 14 B15R2.984 CC1=NC2=CC=CC=C2N=C1C(=O)[O-] 4157-1-38 [0,1,0,0,0,0|3,0,0]=4 15 B15R2.984 O=[N+]([O-])C1=CC2=CC=CN=C2C=C1Cl 4H55-5-0M [0,1,0,0,0,0|3,0,0]=4 16 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2OC1 2H23-1-0D [0,1,0,0,0,0|1,0,1]=3 17 B15R2.1601 NCC(O)C1=CC2=CC=CC=C2C=C1 4656-1-T0 [0,1,0,0,0,0|0,0,2]=3 18 B15R2.7174 O=C(O)C1=CC2=NC(O)=CC=C2C=C1 4H29-1-3Y [0,1,0,0,0,0|2,0,0]=3 19 B15R2.7174 O=[N+]([O-])C1=CC2=CC(Cl)=NC=C2C=C1 4H54-5-1Z [0,1,0,0,0,0|3,0,0]=4 20 B15R2.7180 CC(=O)C1=CC2=CC=C(O)C=C2C=C1 2617-1-0P [0,1,0,0,0,0|0,0,0]=1 21 B15R2.7180 CC1=CC2=NC=C(C(=O)O)C=C2C=C1 4H58-1-MJ [0,1,0,0,0,0|2,0,0]=3 22 B15R2.7180 O=C(O)C1=CC2=CC=C(Br)C=C2N=C1 4H21-9-19 [0,1,0,0,0,0|2,0,0]=3 23 B15R2.7180 O=[N+]([O-])C1=CC=C2N=C(O)C=CC2=C1 4H54-1-LM [0,1,0,0,0,0|3,0,0]=4 24 B15R2.13598 CC1=CC=CC2=CC(C(=O)O)=CN=C12 4H58-1-MN [0,1,0,0,0,0|2,0,0]=3 25 B15R2.13598 O=C(O)C1=CC2=CC=CC(Br)=C2N=C1 4H21-9-27 [0,1,0,0,0,0|2,0,0]=3 26 B15R2.13598 O=C(O)C1=CC2=CC=NC(O)=C2C=C1 4H29-1-24 [0,1,0,0,0,0|2,0,0]=3 27 B15R2.61353 O=C(O)C1=CC2=C(Br)C=NC=C2C=C1 4H21-9-1L [0,1,0,0,0,0|2,0,0]=3 28 B15R2.61353 O=C(O)C1=CC2=C(O)N=CC=C2C=C1 4H29-1-23 [0,1,0,0,0,0|2,0,0]=3 29 B13R2.72 O=C(Cl)C1=NNC2=CC=CC=C21 4H16-5-0J [0,0,0,0,1,0|3,0,0]=4 30 B13R2.72 O=C(O)C1=NOC2=CC=CC=C21 4H58-1-MP [0,0,0,0,1,0|3,0,0]=4 31 B13R2.430 CC(=O)C1=CC=C2C=NNC2=C1 4H56-1-F3 [0,0,0,0,1,0|2,0,0]=3 32 B13R2.430 CC(=O)C1=CC=C2NC=NC2=C1 4H17-1-34 [0,0,0,0,1,0|2,0,0]=3 33 B13R2.430 CC(=O)C1=CC=C2NCCC2=C1 4H17-1-8E [0,0,0,0,1,0|1,0,2]=4 34 B13R2.430 CC(=O)C1=CC=C2SC=CC2=C1 6H17-1-0E [0,0,0,0,1,0|1,0,0]=2 35 B13R2.430 O=C(Cl)C1=CC=C2OC=CC2=C1 2H16-5-15 [0,0,0,0,1,0|2,0,0]=3 36 B13R2.430 O=C(O)C1=CC=C2NC=CC2=N1 4H58-1-Q9 [0,0,0,0,1,0|3,0,0]=4 37 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 4H17-1-8J [0,0,0,0,1,0|1,0,0]=2 38 B13R2.435 O=C(O)C1=CC2=CC=NC=C2O1 4H21-1-75 [0,0,0,0,1,0|3,0,0]=4 39 B15R2.1668 NC(=O)CC1=CC2=CC=CC=C2C=C1 4648-1-1X [0,0,0,0,0,1|1,0,0]=2 40 B15R2.1668 O=C(O)CC1=CC2=CC=CN=C2C=C1 4H58-1-015 [0,0,0,0,0,1|2,0,0]=3 41 B12R1.121 COC1=CC=CC=C1\C=C\C=O 2615-1-1F [1,0,1,0,0,0|1,0,1]=4 42 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Cl 2916-5-01 [1,0,1,0,0,0|2,0,0]=4 43 B12R2.24 FC1=CC2=CC=CC=C2C=N1 3H32-3-CE [2,0,0,0,0,0|2,0,0]=4 44 B14R1.5956 O=C(O)C(=O)\C=C\C1=CC=CC(Cl)=C1 2629-5-0B [0,1,1,0,0,0|2,0,0]=4 45 B14R2.92 COC1=C(O)C2=CC=CC=C2C=C1 2607-1-2X [1,1,0,0,0,0|1,0,0]=3 46 B14R2.92 O=CC1=C(Cl)C2=CC=CC=C2N=C1 4H15-5-13 [1,1,0,0,0,0|1,0,0]=3 47 B14R2.92 O=CC1=CC=C2C=CC=NC2=C1O 4H15-1-33 [1,1,0,0,0,0|1,0,0]=3 48 B14R2.134 COC1=CC2=CC(Br)=CC=C2C=C1 2607-9-32 [1,1,0,0,0,0|1,0,0]=3 49 B14R2.134 COC1=CC2=CC(Br)=CC=C2C=N1 4H07-9-11 [1,1,0,0,0,0|2,0,0]=4 50 B14R2.134 COC1=CC2=CC(Br)=CN=C2C=C1 4H07-9-15 [1,1,0,0,0,0|2,0,0]=4 51 B14R2.134 COC1=CC2=CC(C)=CC=C2C=C1 2707-1-51 [1,1,0,0,0,0|1,0,0]=3 52 B14R2.134 COC1=CC2=CC(N)=CN=C2C=C1 4H56-5-86 [1,1,0,0,0,0|2,0,0]=4 53 B14R2.134 COC1=CC2=NC(C)=CC=C2C=C1 4H56-1-549 [1,1,0,0,0,0|2,0,0]=4 54 B14R2.134 O=CC1=CC=C2C=NC(Cl)=CC2=C1 4H15-5-12 [1,1,0,0,0,0|1,0,0]=3 55 B14R2.142 COC1=CC2=C(Cl)N=CC=C2C=C1 4H07-5-11 [1,1,0,0,0,0|2,0,0]=4 56 B14R2.142 COC1=CC2=C(I)N=CC=C2C=C1 4H07-H-04 [1,1,0,0,0,0|2,0,0]=4 57 B14R2.142 O=CC1=CC=C2C=CC=C(Cl)C2=N1 4H15-5-0Y [1,1,0,0,0,0|1,0,0]=3 58 B14R2.1019 COC1=CC2=CC=CN=C2C(Cl)=C1 4H07-5-0N [1,1,0,0,0,0|2,0,0]=4 59 B14R2.1128 COC1=CC2=NC=CC=C2C=C1C 5H07-1-00 [1,1,0,0,0,0|2,0,0]=4 60 B14R2.1128 COC1=NC2=CC=CC=C2C=C1O 4H07-1-5R [1,1,0,0,0,0|2,0,0]=4 61 B14R2.1128 N#CC1=CC2=CC=CC=C2C=C1O 4H37-1-3E [1,1,0,0,0,0|1,0,1]=4 62 B14R2.1801 COC1=CC2=NC=CC(Br)=C2C=C1 4H07-9-39 [1,1,0,0,0,0|2,0,0]=4 63 B14R2.1801 O=CC1=CC=C2C(=C1)C=CN=C2Cl 4H15-5-08 [1,1,0,0,0,0|1,0,0]=3 64 B14R2.2332 CCC1=CC2=CC=C(O)C=C2C=C1 2701-1-1C [1,1,0,0,0,0|0,0,1]=3 65 B14R2.2332 COC1=CC2=CC=C(Br)C=C2C=N1 4H07-9-13 [1,1,0,0,0,0|2,0,0]=4 66 B14R2.2332 COC1=CC2=CC=C(Cl)C=C2C=C1 2607-5-1U [1,1,0,0,0,0|1,0,0]=3 67 B14R2.2332 COC1=CC2=NC=C(N)C=C2C=C1 4H56-5-87 [1,1,0,0,0,0|2,0,0]=4 68 B14R2.2332 COC1=NC2=CC=C(N)C=C2C=C1 4H30-1-8K [1,1,0,0,0,0|2,0,0]=4 69 B14R2.2332 O=CC1=CC=C2C=C(Cl)N=CC2=C1 4H15-5-10 [1,1,0,0,0,0|1,0,0]=3 70 B14R2.2332 O=CC1=CN=C2C=C(O)C=CC2=C1 4H15-1-32 [1,1,0,0,0,0|1,0,0]=3 71 B14R2.95 COC(=O)C1=C2C=CC=CN2C=N1 4H23-1-G4 [0,1,0,0,1,0|2,0,0]=4 72 B14R2.95 O=C(CCl)C1=CNC2=NC=CC=C12 4H33-5-1T [0,1,0,0,1,0|2,0,0]=4 73 B14R2.5816 CC(=O)C1=CSC2=CC=C(F)C=C21 6H17-3-01 [0,1,0,0,1,0|1,0,0]=3 74 B14R2.5816 O=C(O)C1=CNC2=CC=C(F)C=C21 4H21-3-77 [0,1,0,0,1,0|2,0,0]=4 75 B14R2.8032 O=C(O)C1=CSC2=C(F)C=CC=C12 6H21-3-0Q [0,1,0,0,1,0|2,0,0]=4 76 B14R2.8053 O=C(O)C1=CNC2=CC=CC(F)=C21 4H21-3-65 [0,1,0,0,1,0|2,0,0]=4 77 B14R2.25733 CC(=O)C1=CN(C)C2=CC=CC=C12 4H58-1-527 [0,1,0,0,1,0|1,0,0]=3 78 B14R2.601 O=C(O)C1=CC=C2C=C(Br)NC2=C1 4H21-9-0G [0,1,0,0,1,0|2,0,0]=4 79 B14R2.966 COC(=O)C1=CN=C2C=CNC2=C1 4H58-1-P3 [0,1,0,0,1,0|2,0,0]=4 80 B14R2.966 COC(=O)C1=NC=C2C=CNC2=C1 4H23-1-8R [0,1,0,0,1,0|2,0,0]=4 81 B14R2.3125 CS(=O)(=O)C1=CC=C2C=CNC2=C1 8H63-1-Y1 [0,1,0,0,1,0|2,0,0]=4 82 B14R2.5998 O=C(O)C1=CC=C2C=CNC2=C1Cl 4H58-5-1A [0,1,0,0,1,0|2,0,0]=4 83 B14R2.24358 CC1=COC2=CC=C(C(=O)O)C=C12 2H21-1-0N [0,1,0,0,1,0|2,0,0]=4 84 B14R2.450 CC(=O)C1=C(Br)C2=CC=CC=C2O1 2H17-9-0E [0,1,0,0,1,0|1,0,0]=3 85 B14R2.450 CC(=O)C1=C(N)C2=CC=CC=C2O1 4H56-1-467 [0,1,0,0,1,0|1,0,0]=3 86 B14R2.450 CC1=C(C(=O)O)CC2=CC=CC=C21 2721-1-3E [0,1,0,0,1,0|1,0,1]=4 87 B14R2.972 COC(=O)C1=CN2C=CC=CC2=N1 4H23-1-J6 [0,1,0,0,1,0|2,0,0]=4 88 B14R2.972 COC(=O)C1=NC2=CC=CC=C2O1 4H23-1-DR [0,1,0,0,1,0|2,0,0]=4 89 B14R2.972 COC(=O)C1=NN2C=CC=CC2=C1 4H23-1-DN [0,1,0,0,1,0|2,0,0]=4 90 B14R2.4529 CC(=O)C1=CC2=CC(F)=CC=C2N1 4H56-3-4Z [0,1,0,0,1,0|1,0,0]=3 91 B14R2.4529 CC1=CC=C2OC(C(=O)O)=CC2=C1 2H21-1-0P [0,1,0,0,1,0|2,0,0]=4 92 B14R2.4529 CC1=CC=C2OC(C(N)=O)=CC2=C1 4H48-1-03C [0,1,0,0,1,0|2,0,0]=4 93 B14R2.7969 O=C(O)C1=CC2=CC=CC(O)=C2N1 4H29-1-3H [0,1,0,0,1,0|2,0,0]=4 94 B16R2.24933 CC(=O)CC1=NC2=CC=CC=C2C(=O)O1 4H56-1-0GC [0,1,0,0,0,1|2,0,0]=4 95 B16R2.12044 NC1=C(C(=O)O)C=NC2=CC=C(Br)C=C21 4H57-9-00 [0,2,0,0,0,0|2,0,0]=4 96 B16R2.23331 O=C(O)C1=C(O)C2=CC=CC=C2C(O)=N1 4H29-1-3E [0,2,0,0,0,0|2,0,0]=4 97 B16R2.23372 CC(=O)C1=C(Cl)C2=CC=CC=C2N=C1C 4H17-5-12 [0,2,0,0,0,0|1,0,0]=3 98 B16R2.23520 CC1=NC2=CC(Br)=CC=C2C=C1C(=O)O 4H58-9-77 [0,2,0,0,0,0|2,0,0]=4 99 B16R2.23520 CC1=NC2=CC(F)=CC=C2C=C1C(=O)O 4H58-3-0K [0,2,0,0,0,0|2,0,0]=4 100 B16R2.23520 O=C(O)C1=CC2=CC=C(F)C=C2N=C1Cl 4H21-7-18 [0,2,0,0,0,0|2,0,0]=4 101 B16R2.23520 O=C(O)C1=CC2=CC=C(F)C=C2NC1=O 4H29-3-31 [0,2,0,0,0,0|2,0,0]=4 102 B16R2.23521 CC(=O)C1=NC2=CC(C)=CC=C2N=C1C 4H17-1-6Y [0,2,0,0,0,0|2,0,0]=4 103 B16R2.23521 O=C(O)C1=CC2=CC(F)=CC=C2N=C1Cl 4H21-7-19 [0,2,0,0,0,0|2,0,0]=4 104 B16R2.23521 O=C(O)C1=CC2=CC(F)=CC=C2NC1=O 4H29-3-32 [0,2,0,0,0,0|2,0,0]=4 105 B16R2.33941 CC1=NC2=CC=CC=C2N=C1C(=O)CBr 4H17-9-0L [0,2,0,0,0,0|2,0,0]=4 106 B16R2.83668 CC1=C(N)C2=CC=CC=C2C=C1C(=O)O 4757-1-53 [0,2,0,0,0,0|1,0,0]=3 107 B16R2.126889 CC1=NC2=C(Br)C=CC=C2C=C1C(=O)O 4H58-9-83 [0,2,0,0,0,0|2,0,0]=4 108 B16R2.767 CC(NC=O)C1=CC2=CC=CC=C2C=C1 4648-1-0U [0,2,0,0,0,0|0,0,1]=3 109 B16R2.1205 COC(=O)C1=CC2=CC(Cl)=CC=C2OC1 2H23-5-07 [0,2,0,0,0,0|1,0,1]=4 110 B16R2.1205 COC(=O)C1=CC2=CC(Cl)=NC=C2C=C1 4H23-5-12 [0,2,0,0,0,0|1,0,0]=3 111 B16R2.1205 COC(=O)C1=CC2=NC(Cl)=NC=C2C=C1 4H23-5-24 [0,2,0,0,0,0|2,0,0]=4 112 B16R2.1212 COC(=O)C1=CC2=C(Cl)N=CC=C2C=C1 4H23-5-11 [0,2,0,0,0,0|1,0,0]=3 113 B16R2.33799 COC(=O)C1=CC2=CC=C(Br)C=C2C=C1 2623-9-36 [0,2,0,0,0,0|0,0,0]=2 114 B16R2.33799 COC(=O)C1=CC2=CN=C(Cl)N=C2C=C1 4H23-5-23 [0,2,0,0,0,0|2,0,0]=4 115 B16R2.3885 O=C(O)C1=CC2=CC(Cl)=C(Cl)C=C2N=C1 4H58-5-0S [0,2,0,0,0,0|2,0,0]=4 116 B16R2.7476 COC1=CC2=CC(C(N)=O)=CN=C2C=C1 4H56-1-546 [0,2,0,0,0,0|2,0,0]=4 117 B16R2.26103 CC1=CC(Br)=CC2=CC(C(=O)O)=CN=C12 4H58-9-2J [0,2,0,0,0,0|2,0,0]=4 118 B16R2.26103 CC1=CC2=CC(C(=O)O)=CN=C2C(Br)=C1 4H58-9-86 [0,2,0,0,0,0|2,0,0]=4 119 B16R2.26103 CC1=NC2=CC(C(=O)O)=CC=C2C(O)=C1 4H58-1-LD [0,2,0,0,0,0|2,0,0]=4 120 B16R2.26103 O=C(O)C1=CC2=CC(Cl)=NC(Cl)=C2C=C1 4H21-5-33 [0,2,0,0,0,0|2,0,0]=4 121 B16R2.133406 O=C(O)C1=CC(=O)C2=CC=C(F)C=C2N1 4H29-3-27 [0,2,0,0,0,0|2,0,0]=4 122 B16R2.7486 CCC1=CC2=NC=C(C(=O)O)C=C2C=C1 4H58-1-MF [0,2,0,0,0,0|2,0,0]=4 123 B16R2.7486 COC1=CC2=NC=C(C(=O)O)C=C2C=C1 4H21-1-BU [0,2,0,0,0,0|2,0,0]=4 124 B16R2.11989 O=C(O)C1=CC2=CC=C(F)C(F)=C2N=C1 4H21-3-0V [0,2,0,0,0,0|2,0,0]=4 125 B16R2.26112 CC1=NC2=CC=C(C(=O)O)C=C2C(O)=C1 4H58-1-LB [0,2,0,0,0,0|2,0,0]=4 126 B16R2.36806 CCC1=CC=CC2=CC(C(N)=O)=CN=C21 4H48-1-GN [0,2,0,0,0,0|2,0,0]=4 127 B16R2.36806 COC1=CC=CC2=CC(C(=O)O)=CN=C21 4H21-1-BQ [0,2,0,0,0,0|2,0,0]=4 128 B14R2.31359 CC(=O)C1=C2C=NC=CC2=CC=C1 4H17-1-1S [0,0,1,1,0,0|1,0,0]=3 129 B14R2.31359 N=C(N)C1=CC=CC2=CC=CC=C21 3641-1-03 [0,0,1,1,0,0|2,0,0]=4 130 B14R2.31359 NC(=O)C1=CC=NC2=CC=CC=C21 4H48-1-073 [0,0,1,1,0,0|2,0,0]=4 131 B16R3.2620 O=C1COC2=C1C=CC3=CC=CC=C32 2H17-1-0L [0,1,0,1,0,0|0,0,0]=2 132 B12R2.32 O=CC1=NC2=CC=CC=C2O1 4H15-1-1Y [1,0,0,0,1,0|2,0,0]=4 133 B12R2.44 O=CC1=CC=C2C=COC2=C1 2H15-1-31 [1,0,0,0,1,0|1,0,0]=3 134 B12R2.44 O=CC1=CN=C2C=CNC2=C1 4H15-1-4C [1,0,0,0,1,0|2,0,0]=4 135 B12R2.44 O=CC1=CN=C2NC=CC2=C1 4H56-1-079 [1,0,0,0,1,0|2,0,0]=4