0 B12R1.252 O=C(O)CCSC1=NC=CC=C1 BB53-1033 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.252 O=C(O)CNCC1=CC=NC=C1 BB52-9214 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.252 O=C(O)CNCC1=CN=CC=C1 BB52-9756 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.252 O=C(O)CNCC1=NC=CC=C1 BB52-9714 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.28 CCCCCC1=CC=NC=C1 BB31-4566 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.45 NC(=O)OCC(O)C1=CC=CC=C1 BB31-5091 [0,1,0,0,0,0|1,0,0]=2 6 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 BB32-3372 [0,1,0,0,0,0|2,0,0]=3 7 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 BB31-0164 [0,1,0,0,0,0|2,0,0]=3 8 B13R1.149 O=C(O)CCOC1=CC=CC(Cl)=C1 BB31-6956 [0,1,0,0,0,0|3,0,0]=4 9 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 BB32-0723 [0,1,0,0,0,0|2,0,0]=3 10 B13R1.158 O=C(O)CCCC1=C(O)C=CC=C1 BB32-1832 [0,1,0,0,0,0|2,0,0]=3 11 B13R1.158 O=C(O)CCOC1=C(Br)C=CC=C1 BB31-3294 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 BB32-1690 [0,1,0,0,0,0|1,0,1]=3 13 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 BB31-4405 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.351 CC(CCC1=CC=CC=C1)C(=O)O BB32-0518 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.351 O=C(O)C(Br)CCC1=CC=CC=C1 BB31-3255 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.718 COC(=O)CCNC1=NC=CC=C1 BB32-2272 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.3523 CS(=O)(=O)OCCC1=CC=CC=C1 BB31-3921 [0,1,0,0,0,0|1,0,0]=2 18 B13R2.10 O=C1N=C(C2=CC=CC=C2)NO1 BB31-2554 [0,0,0,1,0,0|2,0,1]=4 19 B13R2.72 CC(=O)C1=CSC2=C1C=CC=C2 BB31-5757 [0,0,0,1,0,0|2,0,1]=4 20 B13R2.72 CC(=O)N1N=CC2=C1C=CC=C2 BB31-9673 [0,0,0,1,0,0|2,0,1]=4 21 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 BB31-7561 [0,0,0,1,0,0|3,0,0]=4 22 B13R2.163 O=C1CC2=C(C=CC=C2)C=CN1 BB31-5524 [0,0,0,1,0,0|1,0,2]=4 23 B13R2.163 O=C1CCCC2=C(C=CC=C2)O1 BB31-4594 [0,0,0,1,0,0|2,0,0]=3 24 B13R2.163 O=C1CCCC2=CC=CN=C2N1 BB31-7293 [0,0,0,1,0,0|3,0,0]=4 25 B11R1.91 NC(=O)CCC1=CN=CC=C1 BB31-6760 [0,0,0,0,1,0|2,0,0]=3 26 B11R1.91 NC(=O)CNC1=CC=CC=C1 BB32-1447 [0,0,0,0,1,0|2,0,0]=3 27 B11R1.91 O=C(O)CCC1=CC=NC=C1 BB52-8563 [0,0,0,0,1,0|2,0,0]=3 28 B11R1.91 O=C(O)CCC1=NC=CC=C1 BB52-8590 [0,0,0,0,1,0|2,0,0]=3 29 B11R1.91 O=C(O)COC1=CN=CC=C1 BB31-6546 [0,0,0,0,1,0|3,0,0]=4 30 B11R1.91 O=C(O)CSC1=NC=CC=C1 BB52-3334 [0,0,0,0,1,0|3,0,0]=4 31 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 BB31-2717 [0,0,0,0,0,1|1,0,0]=2 32 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 BB31-3639 [0,0,0,0,0,1|2,0,0]=3 33 B13R1.337 O=C(O)CCNCC1=CC=CN=C1 BB52-9061 [0,0,0,0,0,1|3,0,0]=4 34 B13R1.337 O=C(O)CCNCC1=CC=NC=C1 BB52-9205 [0,0,0,0,0,1|3,0,0]=4 35 B13R1.337 O=C(O)CCNCC1=NC=CC=C1 BB52-8938 [0,0,0,0,0,1|3,0,0]=4 36 B13R1.337 O=C(O)\C=C\CCC1=CC=CC=C1 BB32-2862 [0,0,0,0,0,1|2,0,0]=3 37 B13R1.337 O=C(O)\C=N\OCC1=CC=CC=C1 BB31-8681 [0,0,0,0,0,1|3,0,0]=4 38 B10R1.17 CCCCC1=CC=CN=C1 BB31-4701 [2,0,0,0,0,0|1,0,1]=4 39 B12R1.8 NCCCCCC1=CC=CC=C1 BB31-3637 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 BB32-3592 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 BB12-5413 [0,1,0,0,1,0|1,0,0]=3 42 B12R1.21 NC(=O)CCC1=CC=C(O)C=C1 BB31-8097 [0,1,0,0,1,0|1,0,0]=3 43 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB12-5412 [0,1,0,0,1,0|1,0,0]=3 44 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O BB31-3006 [0,1,0,0,1,0|2,0,0]=4 45 B12R1.43 O=C(O)[C@H](Br)CC1=CC=CC=C1 BB31-7674 [0,1,0,0,1,0|1,0,0]=3 46 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 BB32-3562 [0,1,0,0,1,0|1,0,1]=4 47 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 BB31-1753 [0,1,0,0,1,0|1,0,1]=4 48 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 BB31-5440 [0,1,0,0,1,0|1,0,0]=3 49 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 BB31-5414 [0,1,0,0,1,0|1,0,0]=3 50 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 BB31-8714 [0,1,0,0,1,0|1,0,0]=3 51 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 BB31-8656 [0,1,0,0,1,0|1,0,0]=3 52 B14R1.677 CC(=O)NCCSC1=CC=C(O)C=C1 BB31-5094 [0,1,0,0,0,1|1,0,0]=3 53 B14R1.677 O=C(O)CCCCC1=CC=C(Br)C=C1 BB32-1099 [0,1,0,0,0,1|2,0,0]=4 54 B14R1.677 O=C(O)CCCCC1=CC=C(Cl)C=C1 BB32-0724 [0,1,0,0,0,1|2,0,0]=4 55 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 BB31-4263 [0,1,0,0,0,1|2,0,0]=4 56 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 BB31-3851 [0,1,0,0,0,1|1,0,0]=3 57 B14R1.687 O=C(O)CCCC1=CC(Cl)=C(Cl)C=C1 BB31-4338 [0,2,0,0,0,0|2,0,0]=4 58 B14R1.5978 N[C@H](CC(=O)O)CC1=CC=CC(Cl)=C1 BB32-1950 [0,2,0,0,0,0|2,0,0]=4 59 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 BB32-0893 [0,2,0,0,0,0|2,0,0]=4 60 B14R1.520 CCOC(=O)NOCC1=CC=CC=C1 BB32-2867 [0,2,0,0,0,0|2,0,0]=4 61 B12R2.23 O=C1CCN1C2=CC=CC=C2 BB32-2781 [1,0,0,1,0,0|2,0,0]=4 62 B12R2.41 C1=CC2=C(C=C1)CCNCC2 BB31-3408 [1,0,0,1,0,0|1,0,1]=4 63 B12R2.1081 O=C1CCCC2=C1C=CN=C2 BB31-7974 [1,0,0,1,0,0|2,0,0]=4 64 B12R2.1081 O=C1COCC2=C1C=CC=C2 BB31-4135 [1,0,0,1,0,0|2,0,0]=4 65 B12R2.1081 OB1OCCC2=C1C=CC=C2 BB31-4013 [1,0,0,1,0,0|1,0,1]=4 66 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 BB31-3001 [0,0,0,1,1,0|1,0,1]=4 67 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 BB32-3180 [0,0,0,1,1,0|1,0,0]=3 68 B12R2.24 CC1=NC2=CC=CC=C2SC1 BB52-7622 [0,0,0,1,1,0|2,0,0]=4 69 B12R2.24 CN1CCC2=C(C=CC=C2)C1 BB32-2641 [0,0,0,1,1,0|2,0,0]=4 70 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 BB31-2766 [0,0,0,1,1,0|1,0,0]=3 71 B14R2.2 O=C(O)CN1CCC2=CC=CC=C21 BB52-9272 [0,0,0,1,0,1|2,0,0]=4 72 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 BB32-1877 [0,0,0,1,0,1|2,0,0]=4 73 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 BB31-2627 [0,0,0,1,0,1|1,0,0]=3 74 B14R2.21 O=C1COC[C@H](C2=CC=CC=C2)N1 BB31-8770 [0,0,0,1,0,1|1,0,0]=3 75 B14R2.31359 O=C(O)C1CCOC2=C1C=CC=C2 BB31-3799 [0,0,0,1,0,1|2,0,0]=4 76 B14R2.31359 O=C(O)C1CNCC2=C1C=CC=C2 BB31-0438 [0,0,0,1,0,1|2,0,0]=4 77 B14R2.31359 O=C(O)C1OCCC2=C1C=CC=C2 BB31-2126 [0,0,0,1,0,1|1,0,0]=3 78 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 BB32-2900 [0,1,0,1,0,0|1,0,0]=3 79 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 BB32-3835 [0,1,0,1,0,0|2,0,0]=4 80 B14R2.300 CC(=O)N1CCC2=C1C=CC(O)=C2 BB32-2883 [0,1,0,1,0,0|1,0,0]=3 81 B14R2.7974 O=C1CCCC2=C(C=CC(Br)=C2)N1 BB32-2505 [0,1,0,1,0,0|2,0,0]=4 82 B14R2.28454 O=C1CCCC2=C(F)C=CC=C2N1 BB31-2549 [0,1,0,1,0,0|2,0,0]=4 83 B14R2.380 NC1=CC2=C(C=C1)CCCC(=O)N2 BB31-7652 [0,1,0,1,0,0|2,0,0]=4 84 B14R2.95 O=C(CBr)N1CCC2=CC=CC=C21 BB53-1072 [0,1,0,1,0,0|1,0,0]=3 85 B14R2.95 O=C(CS)N1CCC2=CC=CC=C21 BB52-7352 [0,1,0,1,0,0|1,0,0]=3 86 B10R1.18 CC(=O)CC1=CN=CC=C1 BB32-2986 [0,0,0,0,2,0|1,0,0]=3 87 B10R1.66 CC(=O)CCN1C=CC=N1 BB52-8699 [0,0,0,0,2,0|2,0,0]=4 88 B10R1.66 O=C(O)CCC1=CC=CN1 BB32-1801 [0,0,0,0,2,0|2,0,0]=4 89 B14R1.422 O=C(O)CCCCOC1=CC=CC=C1 BB31-6026 [0,0,0,0,0,2|2,0,0]=4