0 B12R1.43 CN(C)C(=O)OC1=CC=CC=C1 BB32-3884 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O BB31-3006 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.43 O=C(O)[C@H](Br)CC1=CC=CC=C1 BB31-7674 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.40 NCC(=O)CC1=CC=CC=C1 BB31-4674 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.40 NNC(=O)OC1=CC=CC=C1 BB31-5306 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.40 O=C(CO)NC1=CC=CC=C1 BB32-2558 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.91 NC(=O)CCC1=CN=CC=C1 BB31-6760 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.91 NC(=O)CNC1=CC=CC=C1 BB32-1447 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.91 O=C(O)C#CC1=CC=NC=C1 BB31-5726 [1,0,0,0,0,0|1,0,2]=4 9 B11R1.91 O=C(O)C#CC1=CN=CC=C1 BB32-3318 [1,0,0,0,0,0|1,0,2]=4 10 B11R1.91 O=C(O)CCC1=CC=NC=C1 BB52-8563 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.91 O=C(O)CCC1=NC=CC=C1 BB52-8590 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.91 O=C(O)COC1=CN=CC=C1 BB31-6546 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.91 O=C(O)CSC1=NC=CC=C1 BB52-3334 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)O BB32-0888 [0,1,0,0,0,0|1,0,1]=3 15 B13R1.133 O=C(O)C(O)CC1=CC=C(Cl)C=C1 BB31-4228 [0,1,0,0,0,0|0,0,2]=3 16 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 BB31-1106 [0,1,0,0,0,0|0,0,2]=3 17 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 BB31-5428 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.135 COC(=O)C(Br)CC1=CC=CC=C1 BB32-1982 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.135 COC(=O)C(Cl)CC1=CC=CC=C1 BB31-4052 [0,1,0,0,0,0|1,0,1]=3 20 B13R1.148 N[C@@H](CC1=CC=CC(I)=C1)C(=O)O BB31-4114 [0,1,0,0,0,0|1,0,1]=3 21 B13R1.418 N#CC(CC1=CC=CC=C1)C(=O)O BB32-2248 [0,1,0,0,0,0|1,0,1]=3 22 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O BB31-3737 [0,1,0,0,0,0|1,0,1]=3 23 B13R1.418 O=C(O)[C@@H](CO)CC1=CC=CC=C1 BB31-0992 [0,1,0,0,0,0|0,0,2]=3 24 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O BB12-7957 [0,1,0,0,0,0|2,0,1]=4 25 B13R2.369 CC1=CC2=CC=CC=C2C=C1O BB31-5686 [0,0,0,1,0,0|2,0,1]=4 26 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Br BB31-7389 [0,0,0,1,0,0|1,0,1]=3 27 B13R2.369 OC1=NC2=CC=CC=C2C=C1Br BB31-7203 [0,0,0,1,0,0|2,0,1]=4 28 B13R2.435 NC(=O)C1=CC2=C(C=CC=C2)N1 BB32-0448 [0,0,0,1,0,0|2,0,1]=4 29 B13R2.435 NC(=O)C1=CC2=CC=CC=C2O1 BB52-4124 [0,0,0,1,0,0|1,0,2]=4 30 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 BB31-5523 [0,0,0,1,0,0|3,0,0]=4 31 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 BB32-0944 [0,0,0,1,0,0|2,0,1]=4 32 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)S1 BB31-4928 [0,0,0,1,0,0|1,1,1]=4 33 B13R2.435 O=C(O)C1=CN2C=CC=CC2=C1 BB32-1633 [0,0,0,1,0,0|2,0,1]=4 34 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 BB51-0827 [0,0,0,1,0,0|2,0,1]=4 35 B13R2.435 O=C(O)C1=NN2C=CC=CC2=N1 BB31-6515 [0,0,0,1,0,0|3,0,0]=4 36 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O BB32-1298 [0,0,0,0,1,0|2,0,1]=4 37 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 BB32-1369 [0,0,0,0,1,0|2,0,1]=4 38 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 BB31-5646 [0,0,0,0,1,0|2,0,1]=4 39 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 BB32-1690 [0,0,0,0,0,1|1,0,0]=2 40 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 BB31-4405 [0,0,0,0,0,1|1,0,1]=3 41 B13R1.351 CC(CCC1=CC=CC=C1)C(=O)O BB32-0518 [0,0,0,0,0,1|1,0,1]=3 42 B13R1.351 CC(CSC1=NC=CC=C1)C(=O)O BB53-0290 [0,0,0,0,0,1|2,0,1]=4 43 B13R1.351 C[C@@H](O)C(=O)OCC1=CC=CC=C1 BB31-6885 [0,0,0,0,0,1|1,0,1]=3 44 B13R1.351 O=C(O)C(=O)NCC1=CC=CN=C1 BB52-9157 [0,0,0,0,0,1|1,0,0]=2 45 B13R1.351 O=C(O)C(=O)NCC1=CC=NC=C1 BB52-9602 [0,0,0,0,0,1|1,0,0]=2 46 B13R1.351 O=C(O)C(=O)NCC1=NC=CC=C1 BB53-0207 [0,0,0,0,0,1|1,0,0]=2 47 B13R1.351 O=C(O)C(Br)CCC1=CC=CC=C1 BB31-3255 [0,0,0,0,0,1|1,0,1]=3 48 B10R1.18 CC(=O)CC1=CN=CC=C1 BB32-2986 [2,0,0,0,0,0|1,0,1]=4 49 B10R1.18 O=C(O)CC1=NC=CN=C1 BB31-2541 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 BB12-7973 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 BB05-3247 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.49 C=CC(=O)NC1=CC=C(Cl)C=C1 BB32-2622 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 BB31-5466 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 BB31-7651 [1,1,0,0,0,0|0,0,2]=4 55 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 BB12-5413 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.21 NC(=O)CCC1=CC=C(O)C=C1 BB31-8097 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB12-5412 [1,1,0,0,0,0|0,0,1]=3 58 B12R1.21 O=C(O)\C=C\C1=NC=C(F)C=C1 BB31-7518 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 BB31-2799 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.27 COC(=O)CCC1=NC=CC=C1 BB31-4510 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB32-1728 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 BB31-5440 [1,1,0,0,0,0|0,0,1]=3 63 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 BB31-5414 [1,1,0,0,0,0|0,0,1]=3 64 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 BB31-8714 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 BB31-8656 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.125 O=C(O)C#CC1=C(F)C=CC=C1 BB32-3709 [1,1,0,0,0,0|0,0,2]=4 67 B12R1.226 O=C(O)C#CC1=CC=CC(Cl)=C1 BB31-6988 [1,1,0,0,0,0|0,0,2]=4 68 B12R1.20 CC(C(=O)O)C1=CC=C(Br)C=C1 BB32-2376 [0,1,0,0,1,0|1,0,1]=4 69 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 BB32-3174 [0,1,0,0,1,0|1,0,1]=4 70 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 BB32-0141 [0,1,0,0,1,0|1,0,1]=4 71 B12R1.20 O=C(C1=CC=C(O)C=C1)C(O)O BB31-3862 [0,1,0,0,1,0|0,0,2]=4 72 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 BB32-3698 [0,1,0,0,1,0|0,0,0]=2 73 B12R1.20 O=C(O)C(=O)C1=CC=C(O)C=C1 BB31-2963 [0,1,0,0,1,0|0,0,0]=2 74 B12R1.124 CC(C(=O)O)C1=C(Cl)C=CC=C1 BB31-8139 [0,1,0,0,1,0|1,0,1]=4 75 B12R1.124 NC(C(=O)O)C1=C(O)C=CC=C1 BB31-4343 [0,1,0,0,1,0|1,0,1]=4 76 B12R1.124 NC1=C(C(=O)C(=O)[O-])C=CC=C1 BB31-3615 [0,1,0,0,1,0|0,0,1]=3 77 B12R1.124 O=C(O)C(=O)C1=C(Cl)C=CC=C1 BB31-4381 [0,1,0,0,1,0|0,0,0]=2 78 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 BB32-0915 [0,1,0,0,1,0|1,0,1]=4 79 B12R1.478 CN[C@H](C(=O)O)C1=CC=CC=C1 BB31-4378 [0,1,0,0,1,0|1,0,1]=4 80 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 BB31-2435 [0,1,0,0,1,0|1,0,1]=4 81 B12R1.478 O=C(O)[C@@H](CO)C1=CC=CC=C1 BB32-0839 [0,1,0,0,1,0|0,0,2]=4 82 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 BB32-0834 [0,1,0,0,1,0|0,0,2]=4 83 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 BB32-0893 [0,1,0,0,0,1|1,0,1]=4 84 B14R1.5978 N[C@H](CC(=O)O)CC1=CC=CC(Cl)=C1 BB32-1950 [0,1,0,0,0,1|1,0,1]=4 85 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(Br)C=C1 BB31-2342 [0,2,0,0,0,0|1,0,1]=4 86 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(F)C=C1 BB31-1105 [0,2,0,0,0,0|0,0,2]=4 87 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O BB31-5790 [0,2,0,0,0,0|1,0,1]=4 88 B14R1.686 N[C@H](CC1=CC(F)=C(F)C=C1)C(=O)O BB31-4315 [0,2,0,0,0,0|1,0,1]=4 89 B14R1.686 O=C(O)C(=O)CC1=CC(O)=C(O)C=C1 BB32-1699 [0,2,0,0,0,0|0,0,0]=2 90 B14R1.6049 CC1=CC(C)=C(C[C@@H](N)C(=O)O)C=C1 BB31-7720 [0,2,0,0,0,0|1,0,1]=4 91 B14R1.6049 NC(CC1=C(F)C=C(Br)C=C1)C(=O)O BB32-2870 [0,2,0,0,0,0|1,0,1]=4 92 B14R1.7626 C[C@@](N)(CC1=CC=C(O)C=C1)C(=O)O BB31-7077 [0,2,0,0,0,0|1,0,1]=4 93 B14R1.135 COC(=O)C(O)CC1=CC(O)=CC=C1 BB31-2929 [0,2,0,0,0,0|0,0,2]=4 94 B14R1.1031 CN[C@@H](CC1=CC=CC=C1)C(=O)OC BB31-3544 [0,2,0,0,0,0|1,0,1]=4 95 B14R1.75 NCC1=CC=CC(C[C@H](N)C(=O)O)=C1 BB32-3224 [0,2,0,0,0,0|1,0,1]=4 96 B14R1.4257 CC1=CC(C)=CC(CC(N)C(=O)O)=C1 BB31-9386 [0,2,0,0,0,0|1,0,1]=4 97 B14R1.4257 N[C@@H](CC1=CC(Cl)=CC(Cl)=C1)C(=O)O BB31-2471 [0,2,0,0,0,0|1,0,1]=4 98 B14R1.5971 O=C(O)C(=O)NC1=C(F)C=CC=C1F BB31-9395 [0,2,0,0,0,0|1,0,0]=3 99 B12R2.18 O=C1SC2=C(C=CC=C2)C1=O BB31-7685 [1,0,0,1,0,0|1,0,0]=3 100 B12R2.32 O=CC1CC2=C(C=CC=C2)C1 BB32-1577 [1,0,0,1,0,0|1,0,1]=4 101 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 BB32-3180 [1,0,0,1,0,0|1,0,1]=4 102 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 BB31-2766 [1,0,0,1,0,0|0,0,1]=3 103 B14R2.598 O=C1CC(=O)N(C2=CC=CC=C2)N1 BB52-7546 [0,0,0,1,0,1|2,0,0]=4 104 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2N1 BB52-0905 [0,0,0,1,0,1|2,0,0]=4 105 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 BB32-3835 [0,0,0,1,0,1|1,0,1]=4 106 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 BB51-1488 [0,0,0,1,0,1|1,0,0]=3 107 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 BB31-0567 [0,0,0,1,0,1|1,0,1]=4 108 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)O2 BB31-7591 [0,1,0,1,0,0|0,0,2]=4 109 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 BB31-0318 [0,1,0,1,0,0|0,0,2]=4 110 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 BB32-2611 [0,1,0,1,0,0|0,0,2]=4 111 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 BB31-4369 [0,1,0,1,0,0|0,0,2]=4 112 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)O1 BB31-4948 [0,1,0,1,0,0|0,0,2]=4 113 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Cl)=C2)S1 BB32-1381 [0,1,0,1,0,0|1,1,0]=4 114 B14R2.4529 O=C(O)C1=NC2=CC(Cl)=CC=C2N1 BB52-8433 [0,1,0,1,0,0|2,0,0]=4 115 B14R2.4529 O=C(O)C1=NC2=CC(F)=CC=C2N1 BB52-8434 [0,1,0,1,0,0|2,0,0]=4 116 B14R2.4529 O=C(O)C1CC2=C(C=CC(Cl)=C2)N1 BB31-0317 [0,1,0,1,0,0|1,0,1]=4 117 B14R2.8239 O=C1NC2=C(C=C(F)C=C2)NC1=O BB32-3579 [0,1,0,1,0,0|2,0,0]=4 118 B14R2.1128 O=C1NC2=C(C=CC=C2)C=C1CO BB31-7473 [0,1,0,1,0,0|2,0,0]=4 119 B14R2.1128 O=CC1=CC2=C(C=CC=C2)OC1=O BB52-7366 [0,1,0,1,0,0|0,0,1]=3 120 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O BB31-5796 [0,1,0,1,0,0|1,0,1]=4 121 B14R2.8188 CC1=C(O)C2=C(C=CC=C2)NC1=O BB32-0539 [0,1,0,1,0,0|2,0,0]=4 122 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)S2 BB31-3400 [0,1,0,1,0,0|0,1,1]=4 123 B14R2.7969 CC1=CC=CC2=C1OC(C(=O)O)=C2 BB32-0840 [0,1,0,1,0,0|0,0,2]=4 124 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 BB52-6028 [0,1,0,1,0,0|1,0,1]=4 125 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 BB31-6787 [0,1,0,1,0,0|1,0,1]=4 126 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 BB52-6029 [0,1,0,1,0,0|1,0,1]=4 127 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 BB52-6030 [0,1,0,1,0,0|1,0,1]=4 128 B14R2.7969 O=C(O)C1CC2=CC=CC(Br)=C2C1 BB31-4132 [0,1,0,1,0,0|1,0,1]=4 129 B14R2.450 CC1=C(C(=O)O)CC2=C1C=CC=C2 BB31-5807 [0,1,0,1,0,0|1,0,0]=3 130 B14R2.450 NC1=C(C(=O)O)SC2=C1C=CC=C2 BB32-1371 [0,1,0,1,0,0|0,1,1]=4 131 B14R2.789 NC1(C(=O)O)CC2=C(C=CC=C2)C1 BB31-8045 [0,1,0,1,0,0|1,0,1]=4 132 B10R1.66 O=C(O)CCC1=CC=CN1 BB32-1801 [1,0,0,0,1,0|1,0,1]=4 133 B10R1.23 O=C(O)C(=O)N1C=CN=C1 BB52-9126 [0,0,0,0,2,0|2,0,0]=4 134 B12R1.252 O=C(O)CCSC1=NC=CC=C1 BB53-1033 [1,0,0,0,0,1|1,0,1]=4 135 B12R1.252 O=C(O)CNCC1=CC=NC=C1 BB52-9214 [1,0,0,0,0,1|1,0,1]=4 136 B12R1.252 O=C(O)CNCC1=CN=CC=C1 BB52-9756 [1,0,0,0,0,1|1,0,1]=4 137 B12R1.252 O=C(O)CNCC1=NC=CC=C1 BB52-9714 [1,0,0,0,0,1|1,0,1]=4 138 B12R1.252 OB(O)\C=C\CC1=CC=CC=C1 BB31-8109 [1,0,0,0,0,1|1,0,1]=4 139 B12R1.260 O=C(O)CS(=O)CC1=CC=CO1 BB31-7906 [0,0,0,0,1,1|2,0,0]=4 140 B14R1.423 O=C(O)\C=C/C(=O)NC1=CC=CC=C1 BB32-2219 [0,0,0,0,0,2|1,0,0]=3 141 B14R1.6449 N[C@@H](C\C=C\C1=CC=CC=C1)C(=O)O BB32-0889 [0,0,0,0,0,2|1,0,1]=4