0 B12R2.252 O=C(O)C1=CC2=C(SC=C2)S1 33366 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.252 O=C(O)C1=CC2=CSC=C2S1 33367 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.3678 O=C(O)C1=CC2=C(N1)C(Br)=CS2 17854 [0,1,0,0,0,0|0,0,0]=1 3 B11R1.35 NC(CC1=CC=CS1)C(=O)O 34969 [0,0,1,0,0,0|0,0,2]=3 4 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O 18715 [0,0,1,0,0,0|0,0,2]=3 5 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O 29873 [0,0,1,0,0,0|2,0,1]=4 6 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O 18712 [0,0,1,0,0,0|0,0,2]=3 7 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O 29874 [0,0,1,0,0,0|2,0,1]=4 8 B13R2.430 CC(=O)C1=CC=C2C=CNC2=C1 16447 [0,0,0,0,0,1|3,0,0]=4 9 B13R2.430 CC(=O)C1=CC=C2NC=CC2=C1 13403 [0,0,0,0,0,1|3,0,0]=4 10 B13R2.430 CC(=O)C1=CN=C2C=COC2=C1 27249 [0,0,0,0,0,1|1,1,1]=4 11 B13R2.430 CC(=O)C1=CN=C2NC=CC2=C1 26760 [0,0,0,0,0,1|3,0,0]=4 12 B13R2.430 O=C(Cl)C1=CC2=C(C=C1)OC=C2 7017 [0,0,0,0,0,1|2,1,0]=4 13 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CN2 19532 [0,0,0,0,0,1|3,0,0]=4 14 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 9871 [0,0,0,0,0,1|2,0,0]=3 15 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 7018 [0,0,0,0,0,1|1,1,0]=3 16 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=N2 19084 [0,0,0,0,0,1|2,1,0]=4 17 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 20599 [0,0,0,0,0,1|1,0,0]=2 18 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=N2 10453 [0,0,0,0,0,1|2,0,0]=3 19 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=C1 28024 [0,0,0,0,0,1|1,1,0]=3 20 B13R2.430 O=C(O)C1=CC2=C(C=CS2)C=C1 28001 [0,0,0,0,0,1|1,0,0]=2 21 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 34263 [0,0,0,0,0,1|3,0,0]=4 22 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 1695 [0,0,0,0,0,1|2,0,0]=3 23 B13R2.430 O=C(O)C1=CC=C2NC=CC2=C1 1694 [0,0,0,0,0,1|2,0,0]=3 24 B13R2.430 O=C(O)C1=CC=C2NN=CC2=C1 23851 [0,0,0,0,0,1|3,0,0]=4 25 B13R2.430 O=C(O)C1=CN2C=CN=C2C=N1 32161 [0,0,0,0,0,1|3,0,0]=4 26 B13R2.430 O=C(O)C1=CN=C2C=CNC2=C1 26800 [0,0,0,0,0,1|1,0,1]=3 27 B13R2.430 O=C(O)C1=CN=C2NC=CC2=C1 16605 [0,0,0,0,0,1|2,0,0]=3 28 B13R2.430 O=C(O)C1=CN=C2NN=CC2=C1 26734 [0,0,0,0,0,1|3,0,0]=4 29 B13R2.430 O=C(O)c1cc2cccn2cn1 17868 [0,0,0,0,0,1|2,0,1]=4 30 B13R2.430 O=C(O)c1ccc2nccn2c1 23163 [0,0,0,0,0,1|3,0,0]=4 31 B13R2.430 OB(O)C1=CC2=C(C=C1)SC=C2 33911 [0,0,0,0,0,1|2,0,1]=4 32 B13R2.430 OB(O)C1=CC2=C(C=CS2)C=C1 33912 [0,0,0,0,0,1|2,0,1]=4 33 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 6959 [0,0,0,0,0,1|3,0,0]=4 34 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 9425 [0,0,0,0,0,1|3,0,0]=4 35 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 7586 [0,0,0,0,0,1|3,0,0]=4 36 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 9409 [0,0,0,0,0,1|3,0,0]=4 37 B13R2.435 NC(=O)C1=CC2=CC=CC=C2N1 20200 [0,0,0,0,0,1|2,0,0]=3 38 B13R2.435 O=C(Cl)C1=CC2=C(C=CC=C2)O1 7016 [0,0,0,0,0,1|3,0,0]=4 39 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 7019 [0,0,0,0,0,1|2,0,0]=3 40 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 28045 [0,0,0,0,0,1|2,0,0]=3 41 B13R2.435 O=C(O)C1=CC2=C(N=CN=C2)N1 15987 [0,0,0,0,0,1|2,0,0]=3 42 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 1690 [0,0,0,0,0,1|1,0,0]=2 43 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 20647 [0,0,0,0,0,1|1,0,0]=2 44 B13R2.435 O=C(O)C1=CC2=CC=CN=C2O1 20928 [0,0,0,0,0,1|2,0,0]=3 45 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 28037 [0,0,0,0,0,1|2,0,0]=3 46 B13R2.435 O=C(O)C1=CC2=CC=NC=C2S1 32509 [0,0,0,0,0,1|2,0,0]=3 47 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 20924 [0,0,0,0,0,1|1,0,0]=2 48 B13R2.435 O=C(O)C1=CC2=NC=CC=C2S1 33061 [0,0,0,0,0,1|2,0,0]=3 49 B13R2.435 O=C(O)C1=CC2=NC=CN=C2S1 9882 [0,0,0,0,0,1|2,0,0]=3 50 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 24236 [0,0,0,0,0,1|2,0,1]=4 51 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 33476 [0,0,0,0,0,1|2,0,1]=4 52 B13R2.435 O=C(O)C1=CN2N=CC=CC2=N1 23197 [0,0,0,0,0,1|2,0,1]=4 53 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 8062 [0,0,0,0,0,1|2,0,0]=3 54 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 15844 [0,0,0,0,0,1|2,0,1]=4 55 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 15887 [0,0,0,0,0,1|2,0,1]=4 56 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 3035 [0,0,0,0,0,1|1,0,2]=4 57 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 6053 [0,0,0,0,0,1|1,0,2]=4 58 B13R2.435 O=C(O)[C@H]1CC2=CC=CC=C2N1 20604 [0,0,0,0,0,1|1,0,2]=4 59 B10R1.66 O=C(O)CCc1cccs1 23928 [1,0,1,0,0,0|0,0,2]=4 60 B10R1.66 O=C(O)\C=C\C1=CC=CO1 6950 [1,0,1,0,0,0|0,1,0]=3 61 B10R1.66 O=C(O)\C=C\C1=CC=CS1 22898 [1,0,1,0,0,0|0,0,0]=2 62 B10R1.66 O=C(O)\C=C\C1=CNC=N1 9875 [1,0,1,0,0,0|2,0,0]=4 63 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CS1 9976 [1,0,1,0,0,0|1,0,1]=4 64 B12R1.104 N[C@@H](Cc1ccc(Br)s1)C(=O)O 29917 [0,1,1,0,0,0|0,0,2]=4 65 B12R1.104 N[C@H](Cc1ccc(Br)s1)C(=O)O 29918 [0,1,1,0,0,0|0,0,2]=4 66 B14R2.601 NC1=NC2=C(C=C(C(=O)O)C=C2)S1 29204 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.601 O=C(O)C1=CC2=C(C=C1)OC(Cl)=C2 17234 [0,1,0,0,0,1|1,1,0]=4 68 B14R2.601 O=C(O)c1ccc2nc(O)sc2c1 29203 [0,1,0,0,0,1|2,0,0]=4 69 B14R2.624 O=C(O)C1=C(Cl)C=C2NC=CC2=C1 20913 [0,1,0,0,0,1|2,0,0]=4 70 B14R2.966 COC(=O)C1=CC2=C(C=C1)OC=C2 25331 [0,1,0,0,0,1|1,1,0]=4 71 B14R2.966 COC(=O)C1=CC2=C(C=CO2)C=C1 32307 [0,1,0,0,0,1|1,1,0]=4 72 B14R2.966 COC(=O)C1=CC=C2C=CNC2=C1 1696 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.966 COC(=O)C1=CC=C2NC=CC2=C1 7248 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.966 COC(=O)C1=CC=C2NC=CC2=N1 26877 [0,1,0,0,0,1|1,0,1]=4 75 B14R2.966 COC(=O)C1=CN=C2C=CNC2=C1 26801 [0,1,0,0,0,1|1,0,1]=4 76 B14R2.966 COC(=O)C1=CN=C2NC=CC2=C1 16627 [0,1,0,0,0,1|2,0,0]=4 77 B14R2.5998 O=C(O)C1=CN=C2NC=CC2=C1Cl 27100 [0,1,0,0,0,1|2,0,0]=4 78 B14R2.5998 O=C(O)C1=CN=C2NC=CC2=C1F 36204 [0,1,0,0,0,1|2,0,0]=4 79 B14R2.5998 O=C(O)C1=CNC2=C(SC=C2)C1=O 31813 [0,1,0,0,0,1|0,0,0]=2 80 B14R2.5998 O=C(O)C1=CNC2=CC=NN2C1=O 20850 [0,1,0,0,0,1|2,0,0]=4 81 B14R2.8824 NC1=C2C=CNC2=CC(C(=O)O)=C1 7195 [0,1,0,0,0,1|2,0,0]=4 82 B14R2.24358 O=C(O)C1=CC2=C(C=C1)OC=C2Cl 17233 [0,1,0,0,0,1|1,1,0]=4 83 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 20609 [0,1,0,0,0,1|1,0,0]=3 84 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 18541 [0,1,0,0,0,1|2,0,0]=4 85 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 7284 [0,1,0,0,0,1|1,0,0]=3 86 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 25119 [0,1,0,0,0,1|1,0,0]=3 87 B14R2.972 COC(=O)C1=CC2=CC=CN=C2O1 20927 [0,1,0,0,0,1|2,0,0]=4 88 B14R2.972 COC(=O)C1=CC2=NC=CC=C2N1 20835 [0,1,0,0,0,1|1,0,0]=3 89 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)O2 32494 [0,1,0,0,0,1|2,0,0]=4 90 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 28967 [0,1,0,0,0,1|2,0,0]=4 91 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 32492 [0,1,0,0,0,1|2,0,0]=4 92 B14R2.4529 CC1=CC=C2C=C(C(=O)O)SC2=N1 32504 [0,1,0,0,0,1|2,0,0]=4 93 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 28835 [0,1,0,0,0,1|1,0,0]=3 94 B14R2.4529 NC1=CC2=C(C=C1)OC(C(=O)O)=C2 20509 [0,1,0,0,0,1|2,0,0]=4 95 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 28020 [0,1,0,0,0,1|2,0,0]=4 96 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 27851 [0,1,0,0,0,1|2,0,0]=4 97 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)O1 32493 [0,1,0,0,0,1|2,0,0]=4 98 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 34487 [0,1,0,0,0,1|2,0,0]=4 99 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)N=C2)N1 14940 [0,1,0,0,0,1|1,0,0]=3 100 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 32495 [0,1,0,0,0,1|2,0,0]=4 101 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)O1 35763 [0,1,0,0,0,1|2,0,0]=4 102 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)O1 28019 [0,1,0,0,0,1|2,0,0]=4 103 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 27990 [0,1,0,0,0,1|2,0,0]=4 104 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 28034 [0,1,0,0,0,1|2,0,0]=4 105 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)S1 27991 [0,1,0,0,0,1|2,0,0]=4 106 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)O1 28035 [0,1,0,0,0,1|2,0,0]=4 107 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)S1 27992 [0,1,0,0,0,1|2,0,0]=4 108 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2N1 1663 [0,1,0,0,0,1|1,0,0]=3 109 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 26739 [0,1,0,0,0,1|1,0,0]=3 110 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2S1 32505 [0,1,0,0,0,1|2,0,0]=4 111 B14R2.4529 O=C(O)C1=CC2=CC(Br)=NC=C2N1 14359 [0,1,0,0,0,1|1,0,0]=3 112 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 1670 [0,1,0,0,0,1|1,0,0]=3 113 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CN=C2N1 14614 [0,1,0,0,0,1|1,0,0]=3 114 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2N1 14379 [0,1,0,0,0,1|1,0,0]=3 115 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 1683 [0,1,0,0,0,1|1,0,0]=3 116 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 14919 [0,1,0,0,0,1|1,0,0]=3 117 B14R2.4529 O=C(O)C1=CC2=CC(O)=CC=C2N1 1716 [0,1,0,0,0,1|1,0,0]=3 118 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 1664 [0,1,0,0,0,1|1,0,0]=3 119 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 1671 [0,1,0,0,0,1|1,0,0]=3 120 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2N1 14615 [0,1,0,0,0,1|1,0,0]=3 121 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 1684 [0,1,0,0,0,1|1,0,0]=3 122 B14R2.4529 O=C(O)C1=CC2=CC=C(O)C=C2N1 13369 [0,1,0,0,0,1|1,0,0]=3 123 B14R2.4529 O=C(O)C1=CC2=NC(F)=CN=C2N1 15988 [0,1,0,0,0,1|1,0,0]=3 124 B14R2.4529 O=C(O)C1=NC2=NC(Cl)=CC=C2N1 14929 [0,1,0,0,0,1|2,0,0]=4 125 B14R2.7969 CC1=C2C=C(C(=O)O)NC2=CC=C1 1706 [0,1,0,0,0,1|1,0,0]=3 126 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)S2 27878 [0,1,0,0,0,1|2,0,0]=4 127 B14R2.7969 CC1=CC=CC2=C1OC(C(=O)O)=C2 32491 [0,1,0,0,0,1|2,0,0]=4 128 B14R2.7969 CC1=CC=CC2=C1SC(C(=O)O)=C2 27993 [0,1,0,0,0,1|2,0,0]=4 129 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 9494 [0,1,0,0,0,1|1,0,0]=3 130 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2S1 28039 [0,1,0,0,0,1|2,0,0]=4 131 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)O1 32497 [0,1,0,0,0,1|2,0,0]=4 132 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)S1 27995 [0,1,0,0,0,1|2,0,0]=4 133 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)O1 32496 [0,1,0,0,0,1|2,0,0]=4 134 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)S1 32441 [0,1,0,0,0,1|2,0,0]=4 135 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)O1 32498 [0,1,0,0,0,1|2,0,0]=4 136 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)S1 27997 [0,1,0,0,0,1|2,0,0]=4 137 B14R2.7969 O=C(O)C1=CC2=C(C=CN=C2Cl)S1 32515 [0,1,0,0,0,1|2,0,0]=4 138 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=NC=C2S1 28040 [0,1,0,0,0,1|2,0,0]=4 139 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 2531 [0,1,0,0,0,1|1,0,0]=3 140 B14R2.7969 O=C(O)C1=CC2=C(F)C=NC=C2S1 28041 [0,1,0,0,0,1|2,0,0]=4 141 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)N1 15985 [0,1,0,0,0,1|2,0,0]=4 142 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2F)N1 15986 [0,1,0,0,0,1|2,0,0]=4 143 B14R2.7969 O=C(O)C1=CC2=C(O)C=CC=C2N1 30412 [0,1,0,0,0,1|1,0,0]=3 144 B14R2.7969 O=C(O)C1=CC2=C(O1)C(Br)=CC=C2 32476 [0,1,0,0,0,1|2,0,0]=4 145 B14R2.7969 O=C(O)C1=CC2=C(O1)C(F)=CC=C2 32474 [0,1,0,0,0,1|2,0,0]=4 146 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Br)=CC=C2 27994 [0,1,0,0,0,1|2,0,0]=4 147 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=CC=C2 34191 [0,1,0,0,0,1|2,0,0]=4 148 B14R2.7969 O=C(O)C1=CC2=C(S1)C(F)=CC=C2 27996 [0,1,0,0,0,1|2,0,0]=4 149 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 28833 [0,1,0,0,0,1|1,0,0]=3 150 B14R2.7969 O=C(O)C1=CC2=CC=CC(O)=C2N1 23489 [0,1,0,0,0,1|1,0,0]=3 151 B14R2.7969 O=C(O)C1=CC2=CC=NC(Cl)=C2S1 32511 [0,1,0,0,0,1|2,0,0]=4 152 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)N1 14995 [0,2,0,0,0,0|0,0,0]=2 153 B12R2.1384 O=C(O)C1=CC2=C(C=C1)C=C2 25599 [0,0,1,1,0,0|2,0,0]=4 154 B10R1.23 NC(C(=O)O)C1=CC=CO1 35017 [0,0,1,0,1,0|0,1,1]=4 155 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 29908 [0,0,1,0,1,0|0,0,1]=3 156 B10R1.23 N[C@@H](C(=O)O)c1ccsc1 29914 [0,0,1,0,1,0|1,0,1]=4 157 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 29907 [0,0,1,0,1,0|0,0,1]=3 158 B10R1.23 N[C@H](C(=O)O)c1ccsc1 29913 [0,0,1,0,1,0|1,0,1]=4 159 B10R1.23 O=C(O)C(=O)C1=CC=CS1 5576 [0,0,1,0,1,0|1,0,0]=3 160 B10R1.23 O=C(O)C(O)C1=CC=CS1 23764 [0,0,1,0,1,0|1,0,1]=4 161 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 8190 [0,0,1,0,0,1|2,0,0]=4 162 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 8211 [0,0,1,0,0,1|2,0,0]=4 163 B12R1.125 NC1=C(\C=C\C(=O)O)C=NC=C1 18315 [0,0,1,0,0,1|1,0,0]=3 164 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 3756 [0,0,1,0,0,1|2,0,0]=4 165 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 3628 [0,0,1,0,0,1|2,0,0]=4 166 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 3488 [0,0,1,0,0,1|2,0,0]=4 167 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 8214 [0,0,1,0,0,1|2,0,0]=4 168 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 3757 [0,0,1,0,0,1|2,0,0]=4 169 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 3629 [0,0,1,0,0,1|2,0,0]=4 170 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 3489 [0,0,1,0,0,1|2,0,0]=4 171 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 4346 [0,0,1,0,0,1|2,0,0]=4 172 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 8222 [0,0,1,0,0,1|2,0,0]=4 173 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 7004 [1,0,0,0,0,1|2,0,0]=4 174 B12R2.32 O=CC1=CC2=CC=CC=C2N1 18050 [1,0,0,0,0,1|1,0,0]=3 175 B12R2.32 O=CC1=CC2=CC=NC=C2S1 33028 [1,0,0,0,0,1|2,0,0]=4 176 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 7591 [1,0,0,0,0,1|2,0,0]=4 177 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 7015 [1,0,0,0,0,1|1,1,0]=4 178 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 28005 [1,0,0,0,0,1|1,1,0]=4 179 B12R2.44 O=CC1=CC2=C(C=CS2)C=C1 32443 [1,0,0,0,0,1|1,0,0]=3 180 B12R2.44 O=CC1=CC=C2C=CNC2=C1 7176 [1,0,0,0,0,1|2,0,0]=4 181 B12R2.44 O=CC1=CC=C2NC=CC2=C1 7172 [1,0,0,0,0,1|2,0,0]=4 182 B12R2.44 O=CC1=CN=C2C=CNC2=C1 26816 [1,0,0,0,0,1|1,0,1]=4 183 B12R2.44 O=CC1=CN=C2NC=CC2=C1 16598 [1,0,0,0,0,1|2,0,0]=4 184 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 9417 [0,0,0,0,0,2|2,0,0]=4 185 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 10167 [0,0,0,0,0,2|1,0,1]=4 186 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 16889 [0,0,0,0,0,2|1,0,1]=4 187 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 7517 [0,0,0,0,0,2|1,0,1]=4 188 B14R2.781 O=C(O)C1=CC2=NC=CC=C2N=C1 27138 [0,0,0,0,0,2|1,0,1]=4 189 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 24139 [0,0,0,0,0,2|2,0,0]=4 190 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 7578 [0,0,0,0,0,2|2,0,0]=4 191 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=C1 15419 [0,0,0,0,0,2|2,0,0]=4 192 B14R2.781 O=C(O)C1=CC=C2N=CN=CC2=C1 14632 [0,0,0,0,0,2|2,0,0]=4 193 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 7514 [0,0,0,0,0,2|1,0,1]=4 194 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 9776 [0,0,0,0,0,2|1,0,1]=4 195 B14R2.781 O=C(O)C1=NC2=CN=CC=C2C=C1 33823 [0,0,0,0,0,2|1,0,1]=4 196 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 13907 [0,0,0,0,0,2|1,0,1]=4 197 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 29049 [0,0,0,0,0,2|1,0,0]=3 198 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)N1 36074 [0,0,0,0,0,2|2,0,0]=4