0 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 D74777 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.1 C#CCCC1=CC=C(Cl)C=C1 D75651 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.1 CC1=CC=C(OCC=O)C=C1 H11068 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.91 O=C(O)CCC1=NN=CC=C1 P18641 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.133 N[C@@H](CC1=CN=C(F)C=C1)C(=O)O F16922 [0,1,0,0,0,0|3,0,0]=4 5 B13R1.133 N[C@@H](CC1=NC=C(O)C=C1)C(=O)O D76120 [0,1,0,0,0,0|2,0,0]=3 6 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(I)C=C1 95698 [0,1,0,0,0,0|2,0,0]=3 7 B13R1.512 CS(=O)(=O)CCC1=CC=C(Br)C=C1 D75574 [0,1,0,0,0,0|3,0,0]=4 8 B13R2.147 N[C@H]1C[C@@H](C2=CC=C(Br)C=C2)C1 91845 [0,0,0,1,0,0|2,0,1]=4 9 B13R2.147 N[C@H]1C[C@@H](C2=CC=C(F)C=C2)C1 91844 [0,0,0,1,0,0|2,0,1]=4 10 B13R2.147 N[C@H]1C[C@H](C2=CC=C(Br)C=C2)C1 91828 [0,0,0,1,0,0|2,0,1]=4 11 B13R2.147 N[C@H]1C[C@H](C2=CC=C(F)C=C2)C1 91827 [0,0,0,1,0,0|2,0,1]=4 12 B13R2.155 O=C1CCC2=NC=C(Br)C=C2N1 AC3428 [0,0,0,1,0,0|2,0,0]=3 13 B13R2.155 O=C1COC2=C(C=C(Br)C=C2)C1 D76117 [0,0,0,1,0,0|3,0,0]=4 14 B13R2.155 O=C1COC2=C(N=C(Cl)C=C2)N1 84507 [0,0,0,1,0,0|3,0,0]=4 15 B13R2.155 O=C1COC2=NC=C(Cl)C=C2N1 AC2820 [0,0,0,1,0,0|3,0,0]=4 16 B13R2.155 O=C1COC2=NC=C(I)C=C2N1 D74427 [0,0,0,1,0,0|3,0,0]=4 17 B13R2.4930 CC1=CC2=C(C=C1)C[C@H]2C(=O)O E73127 [0,0,0,1,0,0|2,0,0]=3 18 B13R2.4930 O=C(O)[C@@H]1CC2=C1C=C(Cl)C=C2 AT20396 [0,0,0,1,0,0|2,0,0]=3 19 B11R1.20 C[C@H](N)CC1=CC=C(I)C=C1 A10374 [0,0,0,0,1,0|2,0,1]=4 20 B11R1.20 O=C(O)CC1=CN=C(F)C=C1 AT23306 [0,0,0,0,1,0|3,0,0]=4 21 B11R1.20 O=C(O)CC1=CNC(=O)C=C1 D86041 [0,0,0,0,1,0|2,0,1]=4 22 B13R1.513 O=C(O)CSCC1=CC=C(Br)C=C1 D85996 [0,0,0,0,0,1|2,0,0]=3 23 B10R1.1 NCCC1=CNC(=O)C=C1 FD7157 [2,0,0,0,0,0|1,0,1]=4 24 B10R1.1 O=CCC1=CN=C(Br)C=C1 AC9639 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.71 C#CCCC1=CC=C(OC)C=C1 D75652 [1,1,0,0,0,0|1,0,1]=4 26 B12R1.27 NC[C@@H](F)CCC1=CC=CC=C1 D76606 [1,1,0,0,0,0|1,0,1]=4 27 B12R1.43 N[13C@@H](CC1=CC=CC=C1)C(=O)O D98682 [1,1,0,0,0,0|1,0,0]=3 28 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 C11623 [1,1,0,0,0,0|1,0,0]=3 29 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 75062 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.125 O=C(O)CCC1=CC=CN=C1Br F30825 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.226 N=C(N)NCC1=CC=CC(Br)=C1 A10379 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.4 CC(=O)NC1=CC=C(O[13CH3])C=C1 41458 [0,1,0,0,1,0|2,0,0]=4 33 B12R1.20 CC1=CC=C([C@@H](C)C(=O)O)C=C1 Y11047 [0,1,0,0,1,0|2,0,0]=4 34 B12R1.20 CC1=CC=C([C@@H](F)C(=O)O)C=C1 AC9335 [0,1,0,0,1,0|2,0,0]=4 35 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D85983 [0,1,0,0,1,0|2,0,0]=4 36 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D86053 [0,1,0,0,1,0|2,0,0]=4 37 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D87730 [0,1,0,0,1,0|2,0,0]=4 38 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 N14372 [0,1,0,0,1,0|2,0,0]=4 39 B12R1.233 O=C(O)CC1=C(I)C=C(Br)C=C1 D85730 [0,1,0,0,1,0|2,0,0]=4 40 B12R1.233 O=C(O)CC1=C(I)C=C(Cl)C=C1 D85731 [0,1,0,0,1,0|2,0,0]=4 41 B12R1.233 O=C(O)CC1=C(I)C=C(F)C=C1 AT25194 [0,1,0,0,1,0|2,0,0]=4 42 B14R1.687 CC1=C(F)C=CC(CCCC(=O)O)=C1 75927 [0,1,0,0,0,1|2,0,0]=4 43 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 AC6182 [0,1,0,0,0,1|2,0,0]=4 44 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Br)C=C1 AC3569 [0,1,0,0,0,1|2,0,0]=4 45 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(F)C=C1 AC6608 [0,1,0,0,0,1|2,0,0]=4 46 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(I)C=C1 AC4113 [0,1,0,0,0,1|2,0,0]=4 47 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(O)C=C1 FD10308 [0,1,0,0,0,1|1,0,0]=3 48 B14R1.3 CSC1=CC=C(C[C@H](N)C(=O)O)C=C1 D74869 [0,2,0,0,0,0|1,1,0]=4 49 B14R1.3 N[C@@H](CC1=CC=C(CO)C=C1)C(=O)O A11473 [0,2,0,0,0,0|1,0,0]=3 50 B14R1.3 N[C@@H](CC1=CC=C(CO)C=C1)C(=O)O N14380 [0,2,0,0,0,0|1,0,0]=3 51 B14R1.685 N[C@@H](CC(=O)O)C1=CC(Cl)=C(Cl)C=C1 D96418 [0,2,0,0,0,0|2,0,0]=4 52 B14R1.1019 NC[C@H](CC(=O)O)C1=CC=C(O)C=C1 88390 [0,2,0,0,0,0|1,0,0]=3 53 B14R1.686 NC(=O)[C@@H](N)CC1=CC(O)=C(O)C=C1 A11536 [0,2,0,0,0,0|0,0,0]=2 54 B14R1.686 NC1=C(O)C=C(C[C@H](N)C(=O)O)C=C1 Y14756 [0,2,0,0,0,0|2,0,0]=4 55 B14R1.6049 NC1=C(C[C@H](N)C(=O)O)C=CC(F)=C1 Y11484 [0,2,0,0,0,0|2,0,0]=4 56 B14R1.6049 O=C(O)[C@@H](O)CC1=C(Cl)C=C(Cl)C=C1 D75513 [0,2,0,0,0,0|2,0,0]=4 57 B14R1.42 COC1=C(Br)C=CC(CCC(=O)O)=C1 C90969 [0,2,0,0,0,0|2,0,0]=4 58 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 I10856 [1,0,0,1,0,0|1,0,1]=4 59 B12R2.132 O=C1CCC2=C1N=C(Cl)C=C2 C91067 [1,0,0,1,0,0|2,0,0]=4 60 B12R2.2302 BrC1=CC=C([C@@H]2CCN2)C=C1 F53752 [1,0,0,1,0,0|1,0,1]=4 61 B12R2.2302 OC1=CC=C(C2CNC2)C=C1 D75514 [1,0,0,1,0,0|2,0,0]=4 62 B12R2.2302 OC1=CC=C(C2COC2)C=C1 88186 [1,0,0,1,0,0|2,0,0]=4 63 B12R2.22 O=C1CC(C2=CC=NC=C2)C1 F53800 [1,0,0,1,0,0|2,0,0]=4 64 B12R2.3190 CC(=O)[C@@H]1CC2=C1C=CC=C2 E72984 [1,0,0,1,0,0|1,0,0]=3 65 B12R2.3190 O=C(Cl)[C@@H]1CC2=C1C=CC=C2 E73149 [1,0,0,1,0,0|1,0,0]=3 66 B12R2.606 CC1=CC2=C(C=N1)CC(=O)N2 D72985 [0,0,0,1,1,0|2,0,0]=4 67 B12R2.606 O=C1C=C2NC(=O)CC2=CN1 D72982 [0,0,0,1,1,0|1,0,1]=4 68 B12R2.606 O=C1NC2=C(C=C(O)C=C2)S1 AC8237 [0,0,0,1,1,0|2,0,0]=4 69 B14R2.20 O=C1CC[C@H](C2=CC=C(Cl)C=C2)C1 53473 [0,0,0,1,0,1|2,0,0]=4 70 B14R2.20 O=C1CC[C@H](C2=CC=C(F)C=C2)C1 53470 [0,0,0,1,0,1|2,0,0]=4 71 B14R2.380 O=C1CCOC2=C(C=C(Br)C=C2)N1 D76459 [0,0,0,1,0,1|1,0,0]=3 72 B14R2.4402 CC1=CC=C([C@H]2C[C@@H]2C(=O)O)C=C1 AC9626 [0,0,0,1,0,1|2,0,0]=4 73 B14R2.4402 CC1=CC=C([C@H]2C[C@@H]2C(=O)O)C=C1 AC9675 [0,0,0,1,0,1|2,0,0]=4 74 B14R2.4402 CC1=CC=C([C@H]2C[C@H]2C(=O)O)C=C1 AT22295 [0,0,0,1,0,1|2,0,0]=4 75 B14R2.4402 NC1=CC=C([C@H]2C[C@H]2C(=O)O)C=C1 AT22288 [0,0,0,1,0,1|2,0,0]=4 76 B14R2.4402 O=C(O)[C@@H]1C[C@@H]1C2=CC=C(Br)C=C2 AT22286 [0,0,0,1,0,1|2,0,0]=4 77 B14R2.4402 O=C(O)[C@@H]1C[C@@H]1C2=CC=C(Cl)C=C2 AT22284 [0,0,0,1,0,1|2,0,0]=4 78 B14R2.4402 O=C(O)[C@@H]1C[C@@H]1C2=CC=C(F)C=C2 AT22282 [0,0,0,1,0,1|2,0,0]=4 79 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(F)C=C2 96592 [0,0,0,1,0,1|2,0,0]=4 80 B14R2.5816 O=C(O)[C@@H]1COC2=C1C=C(Cl)C=C2 AT21372 [0,0,0,1,0,1|2,0,0]=4 81 B14R2.5816 O=C(O)[C@@H]1COC2=C1C=C(F)C=C2 AT21371 [0,0,0,1,0,1|2,0,0]=4 82 B14R2.134 COC1=CC2=C(C=C1)NCC(=O)N2 AT16885 [0,1,0,1,0,0|1,0,0]=3 83 B14R2.134 COC1=CC2=C(N=C1)NCC(=O)N2 97256 [0,1,0,1,0,0|2,0,0]=4 84 B14R2.29365 CC1=CC(Br)=C2NCC(=O)NC2=C1 C92876 [0,1,0,1,0,0|2,0,0]=4 85 B14R2.8239 O=C1COC2=CC(Br)=C(Cl)C=C2N1 D77089 [0,1,0,1,0,0|2,0,0]=4 86 B10R1.18 O=C(Cl)NC1=CC=CC=C1 D86031 [1,0,0,0,1,0|2,0,0]=4 87 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [1,0,0,0,1,0|1,0,0]=3 88 B10R1.13 O=C(F)C1=CC=C(F)C=C1 AT22483 [0,0,0,0,2,0|2,0,0]=4 89 B12R1.252 C[C@H](N)COCC1=CC=CC=C1 75113 [1,0,0,0,0,1|1,0,1]=4