0 B13R1.42 C=CNC(=O)OCC1=CC=CC=C1 BB31-5020 [0,0,0,0,0,0|1,0,2]=3 1 B13R1.42 O=C(CCBr)OCC1=CC=CC=C1 BB31-7456 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.42 O=C(CCCl)NCC1=CC=CN=C1 BB52-9649 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.42 O=C(CCCl)NCC1=CC=NC=C1 BB52-8927 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.42 O=C(CCCl)NCC1=NC=CC=C1 BB52-9996 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.8 CCCCCCC1=CC=NC=C1 BB32-1186 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.8 NCCCCCC1=CC=CC=C1 BB31-3637 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 BB31-2799 [1,0,0,0,0,0|0,0,2]=3 8 B12R1.27 COC(=O)CCC1=NC=CC=C1 BB31-4510 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB32-1728 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 BB32-1672 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.27 O=C(CBr)NCC1=CC=CN=C1 BB52-9526 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.27 O=C(CBr)NCC1=CC=NC=C1 BB53-0757 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.27 O=C(CBr)NCC1=NC=CC=C1 BB53-1125 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.27 O=C(CCl)NCC1=CC=NC=C1 BB53-1145 [1,0,0,0,0,0|3,0,0]=4 15 B14R1.32 CCOC(=O)CCC1=CC(C)=CC=C1 BB31-7208 [0,1,0,0,0,0|2,0,0]=3 16 B14R1.32 CCOC(=O)CCC1=CC(O)=CC=C1 BB32-1696 [0,1,0,0,0,0|2,0,0]=3 17 B14R1.32 CCOC(=O)CNC1=CC=CC(Br)=C1 BB31-4352 [0,1,0,0,0,0|3,0,0]=4 18 B14R1.502 CCOC(=O)C#CC1=CC=C(F)C=C1 BB31-3401 [0,1,0,0,0,0|2,0,1]=4 19 B14R1.502 CCOC(=O)COC1=CC=C(F)C=C1 BB31-6869 [0,1,0,0,0,0|3,0,0]=4 20 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 BB32-1011 [0,1,0,0,0,0|3,0,0]=4 21 B14R1.502 CCOC(=O)CSC1=CC=C(Cl)C=C1 BB32-2445 [0,1,0,0,0,0|3,0,0]=4 22 B14R1.598 CCOC(=O)CCC1=C(Cl)C=CC=C1 BB32-1467 [0,1,0,0,0,0|2,0,0]=3 23 B14R1.598 CCOC(=O)CCC1=C(O)C=CC=C1 BB31-4130 [0,1,0,0,0,0|2,0,0]=3 24 B14R1.598 CCOC(=O)\C=C\C1=C(F)C=CC=C1 BB31-6357 [0,1,0,0,0,0|2,0,1]=4 25 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 BB32-1877 [0,0,0,1,0,0|1,0,0]=2 26 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 BB31-2627 [0,0,0,1,0,0|2,0,0]=3 27 B14R2.21 O=C1COC[C@H](C2=CC=CC=C2)N1 BB31-8770 [0,0,0,1,0,0|2,0,0]=3 28 B14R2.30 O=C1C=CCN1CC2=CC=CC=C2 BB32-3374 [0,0,0,1,0,0|1,0,2]=4 29 B14R2.101 C1=CC=C(CNC2CCCC2)C=C1 BB31-7581 [0,0,0,1,0,0|2,0,1]=4 30 B14R2.436 BrC1CC(OCC2=CC=CC=C2)C1 BB31-2787 [0,0,0,1,0,0|2,0,1]=4 31 B14R2.436 N[C@H]1C[C@@H](OCC2=CC=CC=C2)C1 BB31-4085 [0,0,0,1,0,0|2,0,1]=4 32 B14R2.436 O[C@H]1C[C@@H](OCC2=CC=CC=C2)C1 BB31-4221 [0,0,0,1,0,0|2,0,1]=4 33 B14R2.436 O[C@H]1C[C@H](OCC2=CC=CC=C2)C1 BB31-2392 [0,0,0,1,0,0|2,0,1]=4 34 B12R1.32 CCOC(=O)CC1=NC=NC=C1 BB31-1022 [0,0,0,0,1,0|3,0,0]=4 35 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 BB32-3592 [0,0,0,0,1,0|2,0,1]=4 36 B12R1.51 O=C(CCCl)NCC1=CC=CO1 BB52-8951 [0,0,0,0,1,0|3,0,0]=4 37 B14R1.520 CCOC(=O)C\N=C\C1=CC=CC=C1 BB32-1957 [0,0,0,0,0,1|2,0,1]=4 38 B14R1.520 CCOC(=O)NOCC1=CC=CC=C1 BB32-2867 [0,0,0,0,0,1|1,0,0]=2 39 B11R1.28 CCCC#CC1=CC=CC=C1 BB31-3592 [2,0,0,0,0,0|0,0,2]=4 40 B11R1.28 CCCCCC1=CC=NC=C1 BB31-4566 [2,0,0,0,0,0|1,0,1]=4 41 B11R1.28 NCCCOC1=CC=CC=C1 BB31-8683 [2,0,0,0,0,0|1,0,1]=4 42 B13R1.6 CCCCCCC1=CC=CC(N)=C1 BB32-2021 [1,1,0,0,0,0|1,0,1]=4 43 B13R1.28 OCCCCCCC1=CC=CC=C1 BB31-6056 [1,1,0,0,0,0|1,0,1]=4 44 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 BB32-3522 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 BB31-4540 [1,1,0,0,0,0|2,0,0]=4 46 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 BB32-1808 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 BB31-9102 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.15 COC(=O)CCC1=CC=CC(F)=C1 BB32-2078 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 BB31-5428 [1,1,0,0,0,0|2,0,0]=4 50 B13R1.135 COC(=O)C(Br)CC1=CC=CC=C1 BB32-1982 [1,1,0,0,0,0|2,0,0]=4 51 B13R1.135 COC(=O)C(Cl)CC1=CC=CC=C1 BB31-4052 [1,1,0,0,0,0|2,0,0]=4 52 B13R1.351 CC(Br)C(=O)NCC1=CC=CN=C1 BB53-0024 [1,1,0,0,0,0|2,0,0]=4 53 B13R1.351 CC(Br)C(=O)NCC1=CC=NC=C1 BB52-9340 [1,1,0,0,0,0|2,0,0]=4 54 B13R1.351 CC(Br)C(=O)NCC1=NC=CC=C1 BB52-9901 [1,1,0,0,0,0|2,0,0]=4 55 B13R1.351 CC(Cl)C(=O)NCC1=CC=CN=C1 BB52-9801 [1,1,0,0,0,0|2,0,0]=4 56 B13R1.351 CC(Cl)C(=O)NCC1=CC=NC=C1 BB53-0945 [1,1,0,0,0,0|2,0,0]=4 57 B13R1.351 CC(Cl)C(=O)NCC1=NC=CC=C1 BB53-0856 [1,1,0,0,0,0|2,0,0]=4 58 B13R1.351 C[C@@H](O)C(=O)OCC1=CC=CC=C1 BB31-6885 [1,1,0,0,0,0|0,0,0]=2 59 B13R1.19 CCNC(=O)NC1=CC=C(Br)C=C1 BB32-3953 [0,1,0,0,1,0|2,0,0]=4 60 B13R1.19 CCOC(=O)CC1=CN=C(N)C=C1 BB31-0561 [0,1,0,0,1,0|2,0,0]=4 61 B13R1.19 CCOC(=O)CC1=NC=C(F)C=C1 BB31-0108 [0,1,0,0,1,0|2,0,0]=4 62 B13R1.20 CCOC(=O)CC1=CC=CC(Cl)=N1 BB31-3430 [0,1,0,0,1,0|2,0,0]=4 63 B13R1.47 C=C(C(=O)OCC)C1=CC=CC=C1 BB31-6176 [0,1,0,0,1,0|1,0,1]=4 64 B13R1.47 CCOC(=O)C(N)C1=CC=NC=C1 BB31-1071 [0,1,0,0,1,0|2,0,0]=4 65 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 BB32-1690 [0,1,0,0,1,0|0,0,1]=3 66 B15R1.78 C#CCCNC(=O)OCC1=CC=CC=C1 BB32-0485 [0,2,0,0,0,0|0,0,1]=3 67 B15R1.78 CNCCNC(=O)OCC1=CC=CC=C1 BB31-4459 [0,2,0,0,0,0|0,0,0]=2 68 B15R1.741 C[C@H](CN)NC(=O)OCC1=CC=CC=C1 BB32-2059 [0,2,0,0,0,0|1,0,0]=3 69 B15R1.793 CCOC(=O)CCC1=CC=C(OC)C=C1 BB31-7611 [0,2,0,0,0,0|2,0,0]=4 70 B15R1.348 COC(C)(C)C(=O)OCC1=CC=CC=C1 BB31-1967 [0,2,0,0,0,0|1,0,0]=3 71 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 BB52-0645 [1,0,0,1,0,0|1,0,1]=4 72 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 BB51-2840 [1,0,0,1,0,0|1,0,1]=4 73 B13R2.15272 COC(=O)C1CC2=C1C=CC=C2 BB32-2031 [1,0,0,1,0,0|2,0,0]=4 74 B13R2.26 CNCC1=NC2=C(C=CC=C2)O1 BB54-4115 [0,0,0,1,1,0|2,0,0]=4 75 B13R2.163 O=C1CCCC2=C(C=CC=C2)O1 BB31-4594 [0,0,0,1,1,0|0,0,0]=2 76 B13R2.163 O=C1CCCC2=CC=CN=C2N1 BB31-7293 [0,0,0,1,1,0|2,0,0]=4 77 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCO1 BB32-2698 [0,0,0,1,0,1|2,0,0]=4 78 B15R2.31 O=C1COC[C@H](CC2=CC=CC=C2)N1 BB31-0184 [0,0,0,1,0,1|2,0,0]=4 79 B15R2.73 O=C(CCCl)N1CCC2=C1C=CC=C2 BB53-0198 [0,0,0,1,0,1|2,0,0]=4 80 B15R2.27 O=C1CC(=O)NC(C2=CC=CC=C2)C1 BB31-0802 [0,1,0,1,0,0|1,0,1]=4 81 B15R2.38 O=C1CCCC\C1=C\C2=CC=CC=C2 BB31-5660 [0,1,0,1,0,0|1,0,1]=4 82 B15R2.2195 C1=CC=C(COC2CCNCC2)C=C1 BB31-8638 [0,1,0,1,0,0|1,0,1]=4 83 B15R2.24494 O=C(CC1CC1)OCC2=CC=CC=C2 BB32-3525 [0,1,0,1,0,0|0,0,0]=2 84 B15R2.4083 O=C1C(Br)CCN1CC2=CC=CC=C2 BB32-3965 [0,1,0,1,0,0|1,0,0]=3 85 B15R3.2025 O=C1CC2CC(C1)C3=C2C=CC=C3 BB31-9752 [0,0,0,2,0,0|1,0,0]=3 86 B11R1.40 NCC(=O)CC1=CC=CC=C1 BB31-4674 [1,0,0,0,1,0|1,0,0]=3 87 B11R1.40 NNC(=O)OC1=CC=CC=C1 BB31-5306 [1,0,0,0,1,0|2,0,0]=4 88 B11R1.40 O=C(CO)NC1=CC=CC=C1 BB32-2558 [1,0,0,0,1,0|2,0,0]=4 89 B11R1.16 COCC(=O)C1=CC=CC=C1 BB31-5695 [0,0,0,0,2,0|1,0,0]=3