0 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 4H17-1-8J [0,0,0,0,0,0|1,0,0]=1 1 B13R2.435 NC(=O)C1CC2=CC=CC=C2O1 4H48-1-03A [0,0,0,0,0,0|2,0,2]=4 2 B13R2.435 O=C(O)C1=CC2=CC=NC=C2O1 4H21-1-75 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.435 O=C(O)C1=NC2=CC=NC=C2S1 8H21-1-83 [0,0,0,0,0,0|2,0,1]=3 4 B12R2.32 NCC1=CC2=CC=CC=C2N1 8H64-1-X6 [1,0,0,0,0,0|1,0,1]=3 5 B12R2.32 O=CC1=NC2=CC=CC=C2O1 4H15-1-1Y [1,0,0,0,0,0|1,0,1]=3 6 B12R2.32 OCC1=CC2=CC=NC=C2N1 4H56-1-0CD [1,0,0,0,0,0|1,0,1]=3 7 B12R2.32 OCC1=CC2=NC=CC=C2N1 4H56-1-0CE [1,0,0,0,0,0|1,0,1]=3 8 B12R2.32 OC[C@H]1CC2=CC=CC=C2N1 4H56-1-R09 [1,0,0,0,0,0|0,0,3]=4 9 B14R2.450 CC(=O)C1=C(Br)C2=CC=CC=C2O1 2H17-9-0E [0,1,0,0,0,0|2,0,0]=3 10 B14R2.450 CC(=O)C1=C(N)C2=CC=CC=C2O1 4H56-1-467 [0,1,0,0,0,0|2,0,0]=3 11 B14R2.450 CC1=C(C(=O)O)CC2=CC=CC=C21 2721-1-3E [0,1,0,0,0,0|1,0,0]=2 12 B14R2.450 FC(F)C1=C(Cl)C2=CC=CC=C2N1 3H31-7-1S [0,1,0,0,0,0|2,0,1]=4 13 B14R2.450 O=C(O)C1=C(I)N2C=CC=CC2=N1 4H21-H-0E [0,1,0,0,0,0|1,0,1]=3 14 B14R2.972 COC(=O)C1=CN2C=CC=CC2=N1 4H23-1-J6 [0,1,0,0,0,0|1,0,1]=3 15 B14R2.972 COC(=O)C1=NC2=CC=CC=C2O1 4H23-1-DR [0,1,0,0,0,0|1,0,1]=3 16 B14R2.972 COC(=O)C1=NN2C=CC=CC2=C1 4H23-1-DN [0,1,0,0,0,0|1,0,1]=3 17 B14R2.972 COC(=O)C1CC2=C(C=CC=C2)C1 2623-1-4S [0,1,0,0,0,0|1,0,2]=4 18 B14R2.972 COC(=O)[C@H]1CC2=C(C=CC=C2)N1 4H23-1-R6 [0,1,0,0,0,0|0,0,2]=3 19 B14R2.4529 CC(=O)C1=CC2=CC(F)=CC=C2N1 4H56-3-4Z [0,1,0,0,0,0|1,0,0]=2 20 B14R2.4529 CC1=CC=C2OC(C(=O)O)=CC2=C1 2H21-1-0P [0,1,0,0,0,0|1,0,0]=2 21 B14R2.4529 CC1=CC=C2OC(C(N)=O)=CC2=C1 4H48-1-03C [0,1,0,0,0,0|2,0,0]=3 22 B14R2.4529 FC(F)C1=CC2=CC=C(Br)C=C2N1 3H31-B-57 [0,1,0,0,0,0|2,0,1]=4 23 B14R2.4529 O=C(O)C1=CN2C=C(F)C=CC2=N1 4H21-3-U9 [0,1,0,0,0,0|1,0,1]=3 24 B14R2.4529 O=C(O)C1=CN2C=CC(Br)=CC2=N1 4H21-9-33 [0,1,0,0,0,0|1,0,1]=3 25 B14R2.4529 O=C(O)C1=NC2=CC(Br)=CC=C2O1 4H58-9-5R [0,1,0,0,0,0|1,0,1]=3 26 B14R2.4529 O=C(O)C1=NC2=CC(F)=CC=C2O1 4H21-3-85 [0,1,0,0,0,0|1,0,1]=3 27 B14R2.4529 O=C(O)C1=NC2=CC=C(F)C=C2O1 4H21-3-86 [0,1,0,0,0,0|1,0,1]=3 28 B14R2.4529 OB(O)C1=CC2=CC=C(F)C=C2N1 8H60-3-33 [0,1,0,0,0,0|1,0,1]=3 29 B14R2.7969 O=C(Cl)C1=CN2C=CC=C(Br)C2N1 4H16-D-05 [0,1,0,0,0,0|2,0,1]=4 30 B14R2.7969 O=C(O)C1=CC2=C(Cl)N=CN=C2S1 8H21-5-02 [0,1,0,0,0,0|3,0,0]=4 31 B14R2.7969 O=C(O)C1=CC2=CC=CC(O)=C2N1 4H29-1-3H [0,1,0,0,0,0|0,0,0]=1 32 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 2629-1-2Q [0,0,1,0,0,0|1,0,1]=3 33 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Cl 2916-5-01 [0,0,1,0,0,0|2,0,0]=3 34 B14R2.781 NC(=O)C1=CC2=CC=CC=C2OC1 4H48-1-039 [0,0,0,0,0,1|2,0,0]=3 35 B14R2.781 O=C(O)C1=CC2=CC=NC=C2N=C1 4H21-1-NZ [0,0,0,0,0,1|1,0,1]=3 36 B14R2.781 O=C(O)C1=CN=C2C=CN=CC2=C1 4H21-1-XD [0,0,0,0,0,1|1,0,1]=3 37 B14R2.781 O=C(O)C1=NC2=CC=CN=C2C=C1 4H21-1-Z1 [0,0,0,0,0,1|1,0,1]=3 38 B14R2.781 O=C(O)C1CC2=CC=CC=C2CO1 2H21-1-0U [0,0,0,0,0,1|1,0,2]=4 39 B14R2.781 O=[N+]([O-])C1=CC2=CC=CC=C2N=C1 4H54-1-LV [0,0,0,0,0,1|1,0,2]=4 40 B14R2.781 OB(O)C1=NC2=CC=CC=C2C=C1 8H60-1-J5 [0,0,0,0,0,1|1,0,2]=4 41 B11R1.91 O=C(Cl)CNC1=CC=CC=C1 4631-5-00 [1,0,1,0,0,0|1,0,1]=4 42 B11R2.10 BrC1=CC2=CC=NC=C2N1 3H31-9-0F [2,0,0,0,0,0|2,0,0]=4 43 B11R2.10 CC1=CC2=CC=NC=C2N1 3H32-1-A0 [2,0,0,0,0,0|1,0,1]=4 44 B11R2.10 ClC1=CC2=CC=CC=C2N1 3H32-5-MH [2,0,0,0,0,0|1,0,0]=3 45 B11R2.10 ClC1=CC2=CC=CC=C2O1 2H10-5-0N [2,0,0,0,0,0|2,0,0]=4 46 B11R2.10 IC1=CC2=CC=CC=C2N1 3H31-H-01 [2,0,0,0,0,0|1,0,0]=3 47 B11R2.10 O=C1CC2=C(C=NC=C2)N1 4H48-5-69 [2,0,0,0,0,0|1,0,1]=4 48 B13R1.133 CC(=O)C(=O)NC1=CC=C(Cl)C=C1 4648-5-0F [0,1,1,0,0,0|2,0,0]=4 49 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O 4657-1-56 [0,1,1,0,0,0|0,0,2]=4 50 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 4658-1-R1A [0,1,1,0,0,0|0,0,2]=4 51 B13R1.135 COC(=O)\C(C)=C\C1=CC=CC=C1 2623-1-EB [0,1,1,0,0,0|1,0,0]=3 52 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 4657-5-S0 [0,1,1,0,0,0|0,0,2]=4 53 B13R1.164 O=C(O)\C=C\C1=CC=C(O)C=C1F 2621-3-5U [0,1,1,0,0,0|1,0,0]=3 54 B13R1.528 COC(=O)CNC1=C(F)C=CC=C1 4631-3-0C [0,1,1,0,0,0|1,0,1]=4 55 B13R1.528 COC(=O)\C=C\C1=CC=CC=C1Cl 2624-5-E0 [0,1,1,0,0,0|1,0,0]=3 56 B13R1.893 CC(=O)\C=C\C1=C(F)C=CC(F)=C1 2617-3-EA [0,1,1,0,0,0|2,0,0]=4 57 B13R2.26 OCCC1=NC2=CC=CC=C2N1 4H56-1-0J2 [1,1,0,0,0,0|1,0,1]=4 58 B13R2.43 NCC1=CC2=CC(Cl)=CC=C2N1 3H31-5-6T [1,1,0,0,0,0|1,0,1]=4 59 B13R2.43 O=CC1=CC2=CC=C(F)C=C2S1 6H15-3-0D [1,1,0,0,0,0|1,0,0]=3 60 B13R2.43 OCC1=CC2=CC(Cl)=CC=C2S1 8H01-5-00 [1,1,0,0,0,0|1,0,1]=4 61 B13R2.43 OCC1=CC2=CC(F)=CC=C2O1 2H10-3-26 [1,1,0,0,0,0|1,0,1]=4 62 B13R2.43 OCC1=NC2=CC(Cl)=CC=C2N1 4H01-5-2M [1,1,0,0,0,0|1,0,1]=4 63 B13R2.43 OCC1=NC2=CC(I)=CC=C2N1 4H56-H-62 [1,1,0,0,0,0|1,0,1]=4 64 B13R2.43 OCC1=NC2=CC(O)=CC=C2N1 4H56-1-0P0 [1,1,0,0,0,0|1,0,1]=4 65 B13R2.45 CC1=C(C=O)OC2=CC=CC=C21 2H15-1-0A [1,1,0,0,0,0|1,0,0]=3 66 B13R2.45 N#CC1=C(Cl)C2=CC=CC=C2N1 3H37-5-1A [1,1,0,0,0,0|1,0,1]=4 67 B13R2.45 O=CC1=C(Br)N2C=CC=CC2=N1 4H15-9-0R [1,1,0,0,0,0|1,0,1]=4 68 B13R2.54 CC1=C2N=C(CO)NC2=CC=C1 4H56-1-0N9 [1,1,0,0,0,0|1,0,1]=4 69 B13R2.54 N#CC1=CC2=C(Cl)C=CC=C2N1 3H37-5-2H [1,1,0,0,0,0|1,0,1]=4 70 B13R2.54 O=CC1=CC2=CN=CC(I)=C2O1 4H56-H-63 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.54 O=CC1=CN2C(F)=CC=CC2=N1 4H15-3-Z1 [1,1,0,0,0,0|1,0,1]=4 72 B13R2.54 OCC1=CC2=C(Br)C=CC=C2S1 6H01-9-X0 [1,1,0,0,0,0|1,0,1]=4 73 B13R2.54 OCC1=NC2=C(Br)C=CC=C2N1 4H56-9-8Q [1,1,0,0,0,0|1,0,1]=4 74 B13R2.54 OCC1=NC2=C(Cl)C=CC=C2N1 4H56-5-KL [1,1,0,0,0,0|1,0,1]=4 75 B13R2.54 OCC1=NC2=C(F)C=CC=C2N1 4H56-3-EK [1,1,0,0,0,0|1,0,1]=4 76 B15R2.7252 O=C(O)CC1=CC2=CC(Br)=CC=C2O1 2H21-9-0G [0,1,0,0,0,1|1,0,0]=3 77 B15R2.984 CC(=O)C1=C(C)NC2=CC=CC=C2S1 8H17-1-0B [0,1,0,0,0,1|2,0,0]=4 78 B15R2.984 CC1=NC2=CC=CC=C2N=C1C(=O)[O-] 4157-1-38 [0,1,0,0,0,1|0,0,2]=4 79 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2OC1 2H23-1-0D [0,1,0,0,0,1|1,0,0]=3 80 B15R2.1601 COC(=O)C1CC2=CC=CC=C2CN1 4H23-1-FB [0,1,0,0,0,1|0,0,2]=4 81 B15R2.7174 O=C(O)C1=CC2=NC(O)=CC=C2C=C1 4H29-1-3Y [0,1,0,0,0,1|2,0,0]=4 82 B15R2.7180 CC(=O)C1=CC2=CC=C(O)C=C2C=C1 2617-1-0P [0,1,0,0,0,1|2,0,0]=4 83 B15R2.7180 CC1=CC2=NC=C(C(=O)O)C=C2C=C1 4H58-1-MJ [0,1,0,0,0,1|0,0,1]=3 84 B15R2.7180 O=C(O)C1=CC2=CC=C(Br)C=C2N=C1 4H21-9-19 [0,1,0,0,0,1|0,0,1]=3 85 B15R2.13598 CC1=CC=CC2=CC(C(=O)O)=CN=C12 4H58-1-MN [0,1,0,0,0,1|0,0,1]=3 86 B15R2.13598 O=C(O)C1=CC2=CC=CC(Br)=C2N=C1 4H21-9-27 [0,1,0,0,0,1|0,0,1]=3 87 B15R2.13598 O=C(O)C1=CC2=CC=NC(O)=C2C=C1 4H29-1-24 [0,1,0,0,0,1|2,0,0]=4 88 B15R2.61353 O=C(O)C1=CC2=C(Br)C=NC=C2C=C1 4H21-9-1L [0,1,0,0,0,1|2,0,0]=4 89 B15R2.61353 O=C(O)C1=CC2=C(O)N=CC=C2C=C1 4H29-1-23 [0,1,0,0,0,1|2,0,0]=4 90 B15R2.7203 O=C(O)C1=C(Cl)N2C=C(Cl)C=CC2=N1 4H21-5-2B [0,2,0,0,0,0|1,0,1]=4 91 B15R2.13629 O=C(O)C1=C(Br)N2C(Cl)=CC=CC2=N1 4H58-D-14 [0,2,0,0,0,0|1,0,1]=4 92 B15R2.13629 O=C(O)C1=C(Cl)N2C(Cl)=CC=CC2=N1 4H58-5-6W [0,2,0,0,0,0|1,0,1]=4 93 B15R2.14758 CC1=C(C(=O)O)SC2=CC(F)=CC=C21 6H21-3-05 [0,2,0,0,0,0|1,0,0]=3 94 B15R2.1356 CCOC(=O)C1=CC2=CC=NC=C2O1 4H23-1-8X [0,2,0,0,0,0|2,0,0]=4 95 B15R2.1590 COC(=O)C1=CC2=CC=C(F)C=C2N1 4H58-3-3S [0,2,0,0,0,0|0,0,0]=2 96 B15R2.1590 COC(=O)C1=CC2=CN=C(Cl)C=C2N1 4H58-5-4J [0,2,0,0,0,0|1,0,0]=3 97 B15R2.1590 COC(=O)C1=CN2C=CC(C)=CC2=N1 4H23-1-J8 [0,2,0,0,0,0|1,0,1]=4 98 B15R2.1590 COC(=O)C1=NC2=CC(F)=CC=C2O1 4H23-3-51 [0,2,0,0,0,0|1,0,1]=4 99 B15R2.1590 COC(=O)C1=NC2=CC=C(F)C=C2N1 4H23-3-30 [0,2,0,0,0,0|1,0,0]=3 100 B15R2.1590 COC(=O)C1=NC2=CC=C(F)C=C2O1 4H23-3-50 [0,2,0,0,0,0|1,0,1]=4 101 B15R2.1598 COC(=O)C1=CC2=CC=CC(Br)=C2O1 2H23-9-08 [0,2,0,0,0,0|1,0,0]=3 102 B15R2.1598 COC(=O)C1=CN2C(C)=CC=CC2=N1 4H23-1-JB [0,2,0,0,0,0|1,0,1]=4 103 B15R2.7254 CC1=CC=C2C=C(C(=O)O)NC2=C1C 4H21-1-LD [0,2,0,0,0,0|0,0,0]=2 104 B15R2.15633 CC1=CC(Br)=CN2C=C(C(=O)O)N=C12 4H21-9-0P [0,2,0,0,0,0|1,0,1]=4 105 B15R2.15633 CC1=CC2=NC(C(=O)O)=CN2C(Br)=C1 4H58-9-3P [0,2,0,0,0,0|1,0,1]=4 106 B15R2.15633 O=C(O)C1=CC2=C(Br)C=C(F)C=C2S1 6H66-B-04 [0,2,0,0,0,0|1,0,0]=3 107 B15R2.15633 O=C(O)C1=CC2=NC(Cl)=NC(Cl)=C2N1 4H58-5-8P [0,2,0,0,0,0|2,0,0]=4 108 B15R2.20824 CCC1=C2NC(C(=O)O)=CC2=CC=C1 4H21-1-LB [0,2,0,0,0,0|0,0,0]=2 109 B13R2.369 CC1=NC2=CC=CC=C2C=C1N 3H30-5-2G [0,0,1,1,0,0|2,0,0]=4 110 B13R2.369 OC1=NC2=CC=CC=C2C=C1Cl 4H01-5-2R [0,0,1,1,0,0|2,0,0]=4 111 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2N1 4H17-9-51 [0,0,1,1,0,0|2,0,0]=4 112 B13R2.72 O=C(O)C1=NOC2=CC=CC=C21 4H58-1-MP [0,0,1,1,0,0|1,0,1]=4 113 B13R2.430 O=C(O)C1=CC=C2NC=CC2=N1 4H58-1-Q9 [0,0,1,1,0,0|1,0,1]=4 114 B13R2.5569 O=C(O)C1=C2NC=CC2=CC=N1 4H58-1-DP [0,0,1,1,0,0|1,0,1]=4 115 B11R1.36 NC(C(=O)O)C1=CC=CC=N1 4H57-5-24 [0,0,1,0,1,0|1,0,1]=4 116 B15R2.1668 NC(=O)CC1=CC2=CC=CC=C2C=C1 4648-1-1X [0,0,0,0,0,2|2,0,0]=4 117 B15R2.1668 O=C(O)CC1=CC2=CC=CN=C2C=C1 4H58-1-015 [0,0,0,0,0,2|2,0,0]=4