0 B11R1.40 NNC(=O)CC1=CC=CC=C1 3002732 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.40 O=C(CBr)NC1=CC=CC=C1 4023663 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 O=C(CCl)NC1=CC=CC=C1 3002954 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.17 NC\C=C\C1=CC=CC=C1 4027604 [1,0,0,0,0,0|1,0,1]=3 4 B10R1.18 CC(=O)CC1=CC=CN=C1 4301933 [1,0,0,0,0,0|1,0,1]=3 5 B10R1.18 CC(=O)CC1=NC=CC=C1 4301932 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.18 CC(=O)CC1=NC=CN=C1 4003592 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O 3001886 [0,1,0,0,0,0|1,0,1]=3 8 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O 4400386 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N 4015994 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N 4090580 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.43 CN(CC1=CC=CC=C1)C(N)=S 4009975 [0,1,0,0,0,0|1,1,1]=4 12 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4027804 [0,1,0,0,0,0|2,0,0]=3 13 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 4108320 [0,0,0,1,0,0|3,0,0]=4 14 B12R2.24 NC1=CC=C2C=CC=NC2=C1 4018528 [0,0,0,1,0,0|3,0,0]=4 15 B12R2.32 C=CC1=NC2=C(C=CC=C2)N1 4025542 [0,0,0,1,0,0|3,0,0]=4 16 B12R2.32 NCC1=CC2=CC=CC=C2N1 4085479 [0,0,0,1,0,0|2,0,1]=4 17 B12R2.32 NCC1=CC2=CC=CC=C2N1 4087983 [0,0,0,1,0,0|2,0,1]=4 18 B12R2.32 NCC1=CC2=CC=CC=C2N1 4110841 [0,0,0,1,0,0|2,0,1]=4 19 B12R2.32 NCC1=CC2=CC=CC=C2O1 4102882 [0,0,0,1,0,0|2,0,1]=4 20 B12R2.32 NCC1=CC2=CC=CC=C2S1 4100819 [0,0,0,1,0,0|2,0,1]=4 21 B12R2.32 O=CC1=CC2=CC=CC=C2N1 4130840 [0,0,0,1,0,0|1,0,0]=2 22 B12R2.32 O=CC1=CC2=CC=CC=C2S1 4300821 [0,0,0,1,0,0|1,0,0]=2 23 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 4300303 [0,0,0,1,0,0|2,0,0]=3 24 B11R1.20 CC(=O)CC1=CC=C(C)C=N1 4002457 [1,1,0,0,0,0|1,0,1]=4 25 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 4006878 [1,1,0,0,0,0|1,0,1]=4 26 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 4033333 [1,1,0,0,0,0|1,0,1]=4 27 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 4034823 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 4087936 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.86 CC(=O)CC1=C(C)C=CC=N1 4002455 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.86 CC(=O)NC1=CC=CN=C1Cl 9070591 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.86 CC(=O)NC1=NC=CC=C1O 4032188 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.157 CC(=O)CC1=CC(C)=CC=N1 4002456 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.157 CC(=O)CC1=CC=CC(C)=N1 4000002 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 5475603 [1,1,0,0,0,0|1,0,0]=3 35 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 4033483 [1,1,0,0,0,0|1,0,1]=4 36 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O 6933119 [0,1,0,0,0,1|0,0,2]=4 37 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 4013598 [0,1,0,0,0,1|1,0,1]=4 38 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 4110663 [0,2,0,0,0,0|1,0,1]=4 39 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 4027608 [0,2,0,0,0,0|2,0,0]=4 40 B13R1.152 CN(C(=O)C(=O)O)C1=CC=CC=C1 4028185 [0,2,0,0,0,0|2,0,0]=4 41 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(N)=O 7778925 [0,2,0,0,0,0|1,0,1]=4 42 B13R1.133 CC1=CC=C(NC(=O)C(=O)O)C=C1 4031042 [0,2,0,0,0,0|2,0,0]=4 43 B13R1.133 CC1=CC=C(SC(C)C(=O)O)C=C1 4002685 [0,2,0,0,0,0|1,0,1]=4 44 B13R1.133 O=C(O)C(=O)NC1=CC=C(F)C=C1 4027133 [0,2,0,0,0,0|2,0,0]=4 45 B13R1.148 CC(OC1=CC=CC(Br)=C1)C(=O)O 3013973 [0,2,0,0,0,0|1,0,1]=4 46 B13R1.148 CC(OC1=CC=CC(Br)=C1)C(N)=O 9070477 [0,2,0,0,0,0|1,0,1]=4 47 B13R1.148 O=C(O)C(=O)NC1=CC(Cl)=CC=C1 4030253 [0,2,0,0,0,0|2,0,0]=4 48 B13R1.148 O=C(O)C(=O)NC1=CC=CC(F)=C1 4026865 [0,2,0,0,0,0|2,0,0]=4 49 B13R1.202 CC(OC1=CC=CC=C1Br)C(=O)O 3013972 [0,2,0,0,0,0|1,0,1]=4 50 B13R1.202 CC(OC1=CC=CC=C1Br)C(N)=O 9070681 [0,2,0,0,0,0|1,0,1]=4 51 B13R1.202 CC1=CC=CC=C1NC(=O)C(=O)O 4027011 [0,2,0,0,0,0|2,0,0]=4 52 B13R1.202 CC1=CC=CC=C1OC(C)C(=O)O 3013838 [0,2,0,0,0,0|1,0,1]=4 53 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1Cl 4030004 [0,2,0,0,0,0|2,0,0]=4 54 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1F 4027050 [0,2,0,0,0,0|2,0,0]=4 55 B13R1.1073 CC(C)(NC1=CC=CC=C1)C(=O)O 4140261 [0,2,0,0,0,0|1,0,1]=4 56 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O 3013908 [0,2,0,0,0,0|1,0,1]=4 57 B13R1.2872 C\C(C=O)=C/C1=CC(Cl)=CC=C1O 4012334 [0,2,0,0,0,0|0,0,0]=2 58 B11R2.1 O=C1NCC2=CC=CC=C12 4041876 [1,0,0,1,0,0|1,0,1]=4 59 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 4030068 [0,0,0,1,0,1|2,0,0]=4 60 B13R2.32 CC1=C(O)C2=NC=CC=C2C=C1 5175128 [0,0,0,1,0,1|1,0,1]=4 61 B13R2.32 CC1=C(O)C=CC2=CC=CC=C21 4021629 [0,0,0,1,0,1|2,0,0]=4 62 B13R2.32 ClC1=C2C=CC=CC2=NC=C1Br 4031465 [0,0,0,1,0,1|2,0,0]=4 63 B13R2.32 NC1=CN=C2C=CC=CN2C1=O 4042562 [0,0,0,1,0,1|2,0,0]=4 64 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 4110360 [0,0,0,1,0,1|0,0,2]=4 65 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 4300501 [0,0,0,1,0,1|1,0,1]=4 66 B13R2.15 BrC1=C(C2=CC=CC=C2)N=CN1 6283910 [0,1,0,1,0,0|2,0,0]=4 67 B13R2.15 NC1=C(C2=CC=CC=C2)NN=C1 4019943 [0,1,0,1,0,0|2,0,0]=4 68 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)S1 4012562 [0,1,0,1,0,0|1,0,0]=3 69 B13R2.328 CC1=NC2=C(C=CC=N2)C(=O)N1 4043360 [0,1,0,1,0,0|2,0,0]=4 70 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=N1 4048787 [0,1,0,1,0,0|2,0,0]=4 71 B13R2.328 OC1=CC2=CC=CC=C2C(Br)=C1 4038940 [0,1,0,1,0,0|2,0,0]=4 72 B13R2.45 CC1=C(C=O)NC2=CC=CC=C21 4003347 [0,1,0,1,0,0|1,0,0]=3 73 B13R2.45 CC1=C(C=O)OC2=CC=CC=C21 4002706 [0,1,0,1,0,0|1,0,0]=3 74 B13R2.45 CC1=C(CN)OC2=CC=CC=C21 4041189 [0,1,0,1,0,0|2,0,0]=4 75 B13R2.45 NCC1=C(Cl)C2=CC=CC=C2S1 4006175 [0,1,0,1,0,0|2,0,0]=4 76 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)S1 4004691 [0,1,0,1,0,0|1,0,0]=3 77 B13R2.45 O=CC1=C(Cl)C2=CC=CC=C2N1 4003000 [0,1,0,1,0,0|1,0,0]=3 78 B13R2.369 OC1=NC2=CC=CC=C2C=C1Br 4032198 [0,1,0,1,0,0|1,0,1]=4 79 B13R2.435 CC(=O)C1=CN2C=CC=CC2=C1 4002595 [0,1,0,1,0,0|1,0,1]=4 80 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 4009570 [0,1,0,1,0,0|2,0,0]=4 81 B13R2.435 NC(=O)C1=CC2=CC=CC=C2S1 4045182 [0,1,0,1,0,0|1,0,0]=3 82 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 4088003 [0,1,0,1,0,0|2,0,0]=4 83 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 4089063 [0,1,0,1,0,0|2,0,0]=4 84 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 4401038 [0,1,0,1,0,0|2,0,0]=4 85 B13R2.435 O=C(O)C1=NC2=CC=CC=C2S1 4400806 [0,1,0,1,0,0|2,0,0]=4 86 B13R2.435 O=C([O-])C1=NC2=CC=CC=C2O1 4400848 [0,1,0,1,0,0|2,0,0]=4 87 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 4100117 [0,1,0,1,0,0|2,0,0]=4 88 B13R2.5190 CC1=CC2=C(C=CC(N)=C2)N1C 4006416 [0,1,0,1,0,0|2,0,0]=4 89 B13R2.5190 CC1=CC2=C(C=CC(O)=C2)N1C 4011009 [0,1,0,1,0,0|2,0,0]=4 90 B13R2.5190 CN1CC2=CC(Br)=CC=C2C1=O 4031424 [0,1,0,1,0,0|1,0,1]=4 91 B13R2.162 CC1=CC2=C(C=CC=C2N)N=N1 5256404 [0,1,0,1,0,0|2,0,0]=4 92 B13R2.162 CC1=CC=C2N=CC=C(O)C2=C1 4040203 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.13 CC(=O)CC1=CC=CS1 4041410 [1,0,0,0,1,0|1,0,1]=4