0 B13R1.45 CN(C)C=CC(=O)C1=CC=CC=C1 D54632 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.45 CN(C)C=CC(=O)C1=CN=CC=C1 P39599 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.45 CN(C)\C=C\C(=O)C1=CC=NC=C1 E28466 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.45 CN(C)\C=C\C(=O)C1=CN=CC=C1 D52694 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.45 O=C(Cl)COC(=O)C1=CC=CC=C1 B2755 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.30 CNCCC(=O)C1=CC=CC=C1 M54151 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.30 NCCNC(=O)C1=CN=CC=C1 A64779 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.30 O=C(NCCO)C1=NC=CC=C1 H46674 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [1,0,0,0,0,0|1,0,2]=4 9 B12R1.252 CN(C)CCOC1=CC=CC=C1 D53142 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 B37631 [1,0,0,0,0,0|1,0,1]=3 11 B14R1.540 CC(C)CC=C(C=O)C1=CC=CC=C1 M39706 [0,1,0,0,0,0|1,0,0]=2 12 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 D55512 [0,1,0,0,0,0|2,0,0]=3 13 B14R1.813 C[C@H](O)CNS(=O)(=O)C1=CC=CC=C1 H50380 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.68 O[C@H]1CO[C@@H](C2=CC=CC=C2)OC1 P52818 [0,0,0,1,0,0|1,0,2]=4 15 B14R2.29285 CC1(C)CCC(=O)C2=C1C=CC=C2 D55916 [0,0,0,1,0,0|1,0,0]=2 16 B14R2.29285 C[Si]1(C)CNC(=O)C2=C1C=CC=C2 D61914 [0,0,0,1,0,0|1,1,0]=3 17 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 D52186 [0,0,0,0,1,0|3,0,0]=4 18 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [0,0,0,0,1,0|1,0,1]=3 19 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 M63385 [0,0,0,0,1,0|1,0,1]=3 20 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 A53182 [0,0,0,0,1,0|2,0,1]=4 21 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 S52053 [0,0,0,0,1,0|2,0,1]=4 22 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P68339 [2,0,0,0,0,0|0,0,2]=4 23 B11R1.16 CCCC(=O)C1=CN=CC=C1 P50020 [2,0,0,0,0,0|1,0,0]=3 24 B11R1.16 CCCC(=O)C1=NC=CC=C1 B50017 [2,0,0,0,0,0|1,0,0]=3 25 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 P54182 [2,0,0,0,0,0|1,0,1]=4 26 B11R1.16 CCOC(=N)C1=CC=NC=C1 E46648 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.16 CCOC(=O)C1=CC=NC=C1 E69401 [2,0,0,0,0,0|1,0,0]=3 28 B11R1.16 CCOC(=O)C1=CN=CC=C1 E68695 [2,0,0,0,0,0|1,0,0]=3 29 B11R1.16 CCOC(=O)C1=CN=NC=C1 E23449 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.16 CCOC(=O)C1=NC=CC=C1 E67964 [2,0,0,0,0,0|1,0,0]=3 31 B11R1.16 CCOC(=O)C1=NC=CC=N1 E46004 [2,0,0,0,0,0|2,0,0]=4 32 B11R1.16 CCOC(=O)C1=NC=CN=C1 E24926 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.16 CCOC(=O)C1=NC=NC=C1 E46000 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.16 CCO[P@@H](=O)C1=CC=CC=C1 E46942 [2,0,0,0,0,0|1,0,0]=3 35 B11R1.16 N#CCC(=O)C1=CC=CC=C1 X67635 [2,0,0,0,0,0|1,0,1]=4 36 B11R1.16 O=C(OCCl)C1=CC=CC=C1 C48587 [2,0,0,0,0,0|1,0,0]=3 37 B11R1.28 BrCCOCC1=CC=CC=C1 B19978 [2,0,0,0,0,0|1,0,1]=4 38 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [2,0,0,0,0,0|1,0,1]=4 39 B11R1.28 NCCOCC1=CC=CC=C1 B50339 [2,0,0,0,0,0|1,0,1]=4 40 B11R1.28 NCCOCC1=CC=CC=C1 B52169 [2,0,0,0,0,0|1,0,1]=4 41 B11R1.28 OCCOCC1=CC=CC=C1 B24595 [2,0,0,0,0,0|1,0,1]=4 42 B13R1.17 CCCCC(=O)C1=CC=C(Br)C=C1 B54688 [1,1,0,0,0,0|1,0,0]=3 43 B13R1.17 CCCCC(=O)C1=CC=C(C)C=C1 T56075 [1,1,0,0,0,0|1,0,0]=3 44 B13R1.17 CCCCC(=O)C1=CC=C(Cl)C=C1 C39653 [1,1,0,0,0,0|1,0,0]=3 45 B13R1.17 CCCCC(=O)C1=CC=C(O)C=C1 H39654 [1,1,0,0,0,0|1,0,0]=3 46 B13R1.17 O=C(CCCCl)C1=CC=C(Cl)C=C1 C52497 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 C39593 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.17 O=C(CCCCl)C1=CC=C(O)C=C1 C52637 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 H56071 [1,1,0,0,0,0|1,0,0]=3 50 B13R1.122 CCCOS(=O)(=O)C1=CC=CC=C1 P50300 [1,1,0,0,0,0|1,0,0]=3 51 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 M56079 [1,1,0,0,0,0|1,0,1]=4 52 B13R1.718 C[C@H](CBr)COCC1=CC=CC=C1 B54911 [1,1,0,0,0,0|0,0,1]=3 53 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 A54199 [1,1,0,0,0,0|1,0,1]=4 54 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 B53094 [1,1,0,0,0,0|1,0,1]=4 55 B13R1.718 O[C@H](CCl)COCC1=CC=CC=C1 C60793 [1,1,0,0,0,0|1,0,1]=4 56 B13R1.3523 CC(C)(O)CNCC1=CC=CC=C1 B54991 [1,1,0,0,0,0|1,0,1]=4 57 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 F62044 [0,1,0,0,1,0|1,0,1]=4 58 B13R1.132 CC(C)NC(=O)C1=CC=C(N)C=C1 A53033 [0,1,0,0,1,0|1,0,0]=3 59 B13R1.147 CC(C)OC(=O)C1=CC(N)=CC=C1 P52939 [0,1,0,0,1,0|0,0,0]=2 60 B13R1.152 CC(=O)[C@H](C)C(=O)C1=CC=CC=C1 M54555 [0,1,0,0,1,0|1,0,1]=4 61 B13R1.201 CC(C)C[C@H](C)C1=C(N)C=CC=C1 D61048 [0,1,0,0,1,0|1,0,1]=4 62 B13R1.347 CC(C)NS(=O)(=O)C1=CC=CC=C1 P50368 [0,1,0,0,1,0|2,0,0]=4 63 B13R1.347 CC(C)OS(=O)(=O)C1=CC=CC=C1 P50301 [0,1,0,0,1,0|1,0,0]=3 64 B13R1.352 C=C(O[Si](C)(C)C)C1=CC=CC=C1 T54974 [0,1,0,0,1,0|1,1,0]=4 65 B13R1.352 CC(C)(C)OC(=O)C1=CC=NC=C1 B52938 [0,1,0,0,1,0|1,0,0]=3 66 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CC=C1 M62452 [0,1,0,0,1,0|2,0,0]=4 67 B15R1.3675 CC(C)C(=O)CC(=O)NC1=CC=CC=C1 M55977 [0,1,0,0,0,1|1,0,1]=4 68 B13R2.371 C[C@H]1CCC(=O)C2=C1C=CC=C2 M54548 [1,0,0,1,0,0|1,0,0]=3 69 B13R2.371 O=C1CC[C@H](O)C2=C1C=CC=C2 H69542 [1,0,0,1,0,0|2,0,0]=4 70 B13R2.371 O=C1COC(=O)C2=C1C=CC=C2 C50991 [1,0,0,1,0,0|1,0,1]=4 71 B13R2.2931 CO[IH2]1OC(=O)C2=C1C=CC=C2 M28000 [1,0,0,1,0,0|2,0,0]=4 72 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 T16671 [1,0,0,1,0,0|2,0,0]=4 73 B13R2.5252 O=C1CCNCC2=C1C=CC=C2 D64500 [1,0,0,1,0,0|2,0,0]=4 74 B13R2.5252 O=C1NCCCC2=C1C=CC=C2 T52555 [1,0,0,1,0,0|1,0,0]=3 75 B13R2.5252 O=C1NCCNC2=C1C=CC=C2 D69503 [1,0,0,1,0,0|2,0,0]=4 76 B13R2.8137 O=C(C1=CC=CC=C1)C2CCC2 C62224 [1,0,0,1,0,0|1,0,0]=3 77 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 B52803 [1,0,0,1,0,0|1,0,1]=4 78 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 B37857 [1,0,0,1,0,0|1,0,1]=4 79 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 B52802 [1,0,0,1,0,0|1,0,1]=4 80 B13R2.3122 CC1(C)CNCC2=C1C=CC=C2 D55485 [1,0,0,1,0,0|1,0,1]=4 81 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 M51186 [0,0,0,1,1,0|1,0,1]=4 82 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 C68327 [0,0,0,1,1,0|1,0,1]=4 83 B13R2.12159 CC1(C)CC(=O)C2=C1C=CC=C2 D54541 [0,0,0,1,1,0|0,0,0]=2 84 B13R2.12159 CC1(C)NC(=O)C2=C1C=CC=C2 D10521 [0,0,0,1,1,0|1,0,0]=3 85 B13R2.12159 CC1(C)OB(O)C2=C1C=CC=C2 D50121 [0,0,0,1,1,0|1,0,1]=4 86 B15R2.59 CC(C)[C@@H]1COC(C2=NC=CC=C2)=N1 D62704 [0,0,0,1,0,1|2,0,0]=4 87 B15R2.59 CC(C)[C@H]1COC(C2=NC=CC=C2)=N1 D62658 [0,0,0,1,0,1|2,0,0]=4 88 B15R2.612 O=C1CC(OC(=O)C2=CC=CC=C2)C1 O5728 [0,0,0,1,0,1|1,0,1]=4 89 B15R2.33 CN1CCC(=O)[C@@H](C2=CC=CC=C2)C1 M65129 [0,0,0,1,0,1|2,0,0]=4 90 B15R2.7494 CC1(C)CCC(=O)C2=C1C=CC(Br)=C2 B62964 [0,1,0,1,0,0|1,0,0]=3 91 B15R2.61763 CC1(C)C(=O)OC(=O)C2=C1C=CC=C2 D36749 [0,1,0,1,0,0|0,0,1]=3 92 B15R2.14787 CC1(C)CCC(=O)C2=C1C=C(Br)C=C2 B55850 [0,1,0,1,0,0|1,0,0]=3 93 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P69231 [0,0,0,0,2,0|1,0,1]=4 94 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 B39601 [0,0,0,0,2,0|0,0,0]=2 95 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 M39089 [0,0,0,0,2,0|1,0,1]=4 96 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M36968 [0,0,0,0,2,0|1,0,1]=4 97 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M53117 [0,0,0,0,2,0|1,0,1]=4 98 B11R1.36 C[C@H](Br)C(=O)C1=CC=CC=C1 B52026 [0,0,0,0,2,0|1,0,0]=3 99 B11R1.36 O=C(C1=CC=CC=C1)C(F)F D63183 [0,0,0,0,2,0|2,0,0]=4 100 B13R1.44 C=CCOC(=O)OC1=CC=CC=C1 A52450 [1,0,0,0,0,1|0,0,2]=4