0 B13R1.718 CCC(=O)COCC1=CC=CC=C1 B54766 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.718 COC(=O)CCNC1=CC=CC=C1 M52952 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.718 COC(=O)CNCC1=CC=CC=C1 M52944 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.8 CCCCCCC1=CC=NC=C1 H54975 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.252 CC(C)OCCC1=NC=CC=C1 P63699 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.252 O=C(O)CCCC1=NC=CC=C1 P50052 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.252 O=C(O)CCNC1=CC=CC=C1 P50051 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.252 O=C(O)COCC1=CC=CC=C1 B67512 [1,0,0,0,0,0|3,0,0]=4 9 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 M67740 [0,1,0,0,0,0|2,0,0]=3 10 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 E53049 [0,1,0,0,0,0|3,0,0]=4 11 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 E65599 [0,1,0,0,0,0|2,0,0]=3 12 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 E68308 [0,1,0,0,0,0|2,0,0]=3 13 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 E54787 [0,1,0,0,0,0|2,0,0]=3 14 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 E54861 [0,1,0,0,0,0|1,0,0]=2 15 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 M54573 [0,1,0,0,0,0|2,0,1]=4 16 B14R1.756 COC(=O)[C@@H](C)OCC1=CC=CC=C1 M67097 [0,1,0,0,0,0|3,0,0]=4 17 B14R1.837 COC(=O)CCCC1=C(O)C=CC=C1 M54799 [0,1,0,0,0,0|2,0,0]=3 18 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 B6949 [0,0,0,1,0,0|2,0,0]=3 19 B14R2.19 O=C1C[C@H](CC2=CC=CC=C2)CO1 B54554 [0,0,0,1,0,0|2,0,0]=3 20 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B27980 [0,0,0,1,0,0|2,0,0]=3 21 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 B52611 [0,0,0,1,0,0|2,1,0]=4 22 B14R2.31 O=C1CC[C@@H]1OCC2=CC=CC=C2 B13430 [0,0,0,1,0,0|2,0,0]=3 23 B14R2.68 C[C@H]1CN[C@@H](C2=CC=CC=C2)CO1 M55498 [0,0,0,1,0,0|2,0,1]=4 24 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 P39676 [0,0,0,1,0,0|1,0,0]=2 25 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 P54629 [0,0,0,1,0,0|2,0,0]=3 26 B14R2.68 O=C1CCN(C2=CC=NC=C2)CC1 P52686 [0,0,0,1,0,0|3,0,0]=4 27 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 P19914 [0,0,0,1,0,0|1,0,0]=2 28 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 P54109 [0,0,0,1,0,0|1,0,0]=2 29 B14R2.68 O=C1COC(C2=CC=CC=C2)OC1 P52455 [0,0,0,1,0,0|3,0,0]=4 30 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 B52541 [0,0,0,0,1,0|1,0,2]=4 31 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B52417 [0,0,0,0,1,0|0,0,2]=3 32 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M53792 [0,0,0,0,1,0|1,0,2]=4 33 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [0,0,0,0,1,0|1,0,0]=2 34 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [0,0,0,0,1,0|2,0,0]=3 35 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [0,0,0,0,1,0|2,0,0]=3 36 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 B53085 [0,0,0,0,1,0|2,0,1]=4 37 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B67680 [0,0,0,0,1,0|1,0,0]=2 38 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B68841 [0,0,0,0,1,0|2,0,0]=3 39 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [0,0,0,0,1,0|1,0,0]=2 40 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 B68284 [0,0,0,0,1,0|1,0,0]=2 41 B12R1.27 O=C(CO)OCC1=CC=CC=C1 B22937 [0,0,0,0,1,0|1,0,0]=2 42 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 M54865 [0,0,0,0,0,1|2,0,0]=3 43 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 M54788 [0,0,0,0,0,1|2,0,0]=3 44 B11R1.28 BrCCCCC1=CC=CC=C1 B52867 [2,0,0,0,0,0|1,0,1]=4 45 B11R1.28 BrCCOCC1=CC=CC=C1 B19978 [2,0,0,0,0,0|1,0,1]=4 46 B11R1.28 CCCCCC1=CC=CN=C1 P53110 [2,0,0,0,0,0|1,0,1]=4 47 B11R1.28 CCCCCC1=NC=CC=C1 P53109 [2,0,0,0,0,0|1,0,1]=4 48 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [2,0,0,0,0,0|1,0,1]=4 49 B11R1.28 CCOC=NC1=CC=CC=C1 E50019 [2,0,0,0,0,0|1,0,1]=4 50 B11R1.28 CCOCCC1=NC=CC=C1 E69081 [2,0,0,0,0,0|1,0,0]=3 51 B11R1.28 NCCOCC1=CC=CC=C1 B50339 [2,0,0,0,0,0|1,0,1]=4 52 B11R1.28 NCCOCC1=CC=CC=C1 B52169 [2,0,0,0,0,0|1,0,1]=4 53 B11R1.28 O=CCCOC1=CC=CC=C1 P49880 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.28 O=CCOCC1=CC=CC=C1 B24494 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.28 OCCCCC1=CC=CC=C1 P69087 [2,0,0,0,0,0|1,0,1]=4 56 B11R1.28 OCCOCC1=CC=CC=C1 B24595 [2,0,0,0,0,0|1,0,1]=4 57 B13R1.9 CCCCCCC1=CC=C(Br)C=C1 B56113 [1,1,0,0,0,0|1,0,1]=4 58 B13R1.9 CCCCCCC1=CC=C(N)C=C1 H56227 [1,1,0,0,0,0|1,0,1]=4 59 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 P56074 [1,1,0,0,0,0|1,0,1]=4 60 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 A54160 [1,1,0,0,0,0|2,0,0]=4 61 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 B52614 [1,1,0,0,0,0|2,0,0]=4 62 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 F52641 [1,1,0,0,0,0|2,0,0]=4 63 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O A38614 [1,1,0,0,0,0|2,0,0]=4 64 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 X52456 [1,1,0,0,0,0|2,0,0]=4 65 B13R1.351 O=C(O)[C@@H](Br)CCC1=CC=CC=C1 B65537 [1,1,0,0,0,0|2,0,0]=4 66 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 H52834 [1,1,0,0,0,0|2,0,0]=4 67 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 H61047 [1,1,0,0,0,0|2,0,0]=4 68 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 P54767 [1,1,0,0,0,0|2,0,0]=4 69 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 A68979 [1,1,0,0,0,0|2,0,0]=4 70 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 B52615 [1,1,0,0,0,0|2,0,0]=4 71 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 C38697 [1,1,0,0,0,0|2,0,0]=4 72 B13R1.513 O=C(O)CCCC1=CC=C(I)C=C1 K52648 [1,1,0,0,0,0|2,0,0]=4 73 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 H69215 [1,1,0,0,0,0|2,0,0]=4 74 B13R1.3523 CS(=O)(=O)OCCC1=CC=CC=C1 P50302 [1,1,0,0,0,0|1,0,0]=3 75 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 M52457 [0,1,0,0,1,0|1,0,1]=4 76 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 M54166 [0,1,0,0,1,0|1,0,0]=3 77 B13R1.11 COC(=O)C[C@H](N)C1=NC=CC=C1 M52253 [0,1,0,0,1,0|2,0,0]=4 78 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 M52626 [0,1,0,0,1,0|1,0,0]=3 79 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 M52652 [0,1,0,0,1,0|1,0,0]=3 80 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 M38944 [0,1,0,0,1,0|1,0,0]=3 81 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 M54163 [0,1,0,0,1,0|1,0,0]=3 82 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 M68976 [0,1,0,0,1,0|1,0,0]=3 83 B13R1.14 COC(=O)COC1=CC=C(Cl)C=C1 M51987 [0,1,0,0,1,0|2,0,0]=4 84 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 M52841 [0,1,0,0,1,0|1,0,0]=3 85 B13R1.15 COC(=O)CCC1=CC=CC(Br)=C1 M38076 [0,1,0,0,1,0|1,0,0]=3 86 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 A53040 [0,1,0,0,1,0|1,0,0]=3 87 B13R1.135 COC(=O)[C@@H](Br)CC1=CC=CC=C1 M52623 [0,1,0,0,1,0|1,0,0]=3 88 B13R1.135 COC(=O)[C@@H](Cl)CC1=CC=CC=C1 M22031 [0,1,0,0,1,0|1,0,0]=3 89 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 M69265 [0,1,0,0,1,0|1,0,0]=3 90 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M37251 [0,1,0,0,1,0|1,0,0]=3 91 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M52845 [0,1,0,0,1,0|1,0,0]=3 92 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 M52844 [0,1,0,0,1,0|1,0,0]=3 93 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 M52625 [0,1,0,0,1,0|1,0,0]=3 94 B15R1.778 CCOC(=O)CCNCC1=CC=CC=C1 E22546 [0,1,0,0,0,1|1,0,0]=3 95 B15R1.959 COC(=O)CCCC(=O)C1=CC=CC=C1 M55924 [0,1,0,0,0,1|2,0,0]=4 96 B15R1.11 CCOC(=O)CCCC1=CC=C(Br)C=C1 E37053 [0,2,0,0,0,0|1,0,0]=3 97 B15R1.112 CC(C)C(=O)NCCC1=CC=C(Br)C=C1 B56064 [0,2,0,0,0,0|1,0,0]=3 98 B15R1.206 COC(=O)CCCC1=CC=C(OC)C=C1 M56099 [0,2,0,0,0,0|2,0,0]=4 99 B15R1.809 CCOC(=O)CC(=O)CC1=CC=CC=C1 E55926 [0,2,0,0,0,0|1,0,1]=4 100 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 E67497 [0,2,0,0,0,0|1,0,0]=3 101 B15R1.826 CCOC(=O)[C@H](N)CCC1=CC=CC=C1 H56622 [0,2,0,0,0,0|1,0,0]=3 102 B15R1.826 CCOC(=O)[C@H](O)CCC1=CC=CC=C1 E68769 [0,2,0,0,0,0|1,0,0]=3 103 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 C68848 [1,0,0,1,0,0|1,0,1]=4 104 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 P28437 [1,0,0,1,0,0|2,0,0]=4 105 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 P13331 [1,0,0,1,0,0|1,0,1]=4 106 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 P52920 [1,0,0,1,0,0|1,0,1]=4 107 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 P23480 [1,0,0,1,0,0|1,0,1]=4 108 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 P23657 [1,0,0,1,0,0|1,0,1]=4 109 B13R2.3 C1=CC=C([C@H]2COCCN2)C=C1 P61270 [1,0,0,1,0,0|1,0,1]=4 110 B13R2.15 OC1COCC1C2=CC=CC=C2 P52796 [1,0,0,1,0,0|1,0,1]=4 111 B13R2.1613 CCC1=NCCC2=C1C=CC=C2 E54603 [1,0,0,1,0,0|1,0,0]=3 112 B13R2.1613 CC[C@@H]1NCCC2=C1C=CC=C2 E54823 [1,0,0,1,0,0|1,0,1]=4 113 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 P32385 [1,0,0,1,0,0|1,0,0]=3 114 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P61078 [1,0,0,1,0,0|1,0,0]=3 115 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 P11961 [1,0,0,1,0,0|1,1,0]=4 116 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 P13335 [1,0,0,1,0,0|2,0,0]=4 117 B13R2.72 CC(=O)N1CCC2=C1C=CC=C2 K52542 [1,0,0,1,0,0|1,0,0]=3 118 B13R2.72 O=C(O)[C@@H]1CCC2=C1C=CC=C2 K52427 [1,0,0,1,0,0|2,0,0]=4 119 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 D52553 [1,0,0,1,0,0|2,0,0]=4 120 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 P38188 [1,0,0,1,0,0|2,0,0]=4 121 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 P30012 [1,0,0,1,0,0|2,0,0]=4 122 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 P30011 [1,0,0,1,0,0|2,0,0]=4 123 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 D54551 [0,0,0,1,1,0|0,0,0]=2 124 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O H51786 [0,0,0,1,1,0|2,0,0]=4 125 B13R2.15272 COC(=O)[C@@H]1CC2=C1C=CC=C2 M52443 [0,0,0,1,1,0|1,0,0]=3 126 B15R2.29 BrC1=CCN(CC2=CC=CC=C2)CC1 B6207 [0,0,0,1,0,1|2,0,0]=4 127 B15R2.29 O=C1CCN(CC2=CC=CC=C2)CC1 B37824 [0,0,0,1,0,1|1,0,0]=3 128 B15R2.29 O=C1CCN(CC2=CC=NC=C2)CC1 P54699 [0,0,0,1,0,1|2,0,0]=4 129 B15R2.3 O=C1CCC(C2=CC=C(Br)C=C2)CC1 B55849 [0,1,0,1,0,0|1,0,0]=3 130 B15R2.3 O=C1CCC(C2=CC=C(Cl)C=C2)CC1 C38089 [0,1,0,1,0,0|1,0,0]=3 131 B15R2.3 O=C1CCC(C2=CC=C(O)C=C2)CC1 H55918 [0,1,0,1,0,0|1,0,0]=3 132 B15R2.98 NC1=CC=C(C[C@H]2COC(=O)N2)C=C1 A52696 [0,1,0,1,0,0|2,0,0]=4 133 B15R2.50022 CN1C(=O)CCCC2=C1C=C(N)C=C2 A14222 [0,1,0,1,0,0|2,0,0]=4 134 B15R2.96 C[C@@]1(C2=CC=CC=C2)C=CC(=O)CC1 M56880 [0,1,0,1,0,0|1,0,1]=4 135 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 B56595 [0,1,0,1,0,0|2,0,0]=4 136 B15R2.325 C[C@H]1CC(=O)CN1CC2=CC=CC=C2 B55973 [0,1,0,1,0,0|2,0,0]=4 137 B15R2.1342 CCOC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 E30019 [0,1,0,1,0,0|1,0,0]=3 138 B15R2.15770 CN1CCC2=C(C=CC=C2)[C@H](N)C1=O A64139 [0,1,0,1,0,0|2,0,0]=4 139 B15R2.15770 CN1CCC2=C(C=CC=C2)[C@H](N)C1=O A64265 [0,1,0,1,0,0|2,0,0]=4 140 B15R2.308 O=C1CCC(C2=C(F)C=CC=C2)CC1 F36654 [0,1,0,1,0,0|1,0,0]=3 141 B15R2.28 O=C1CCC(C2=CC=CC(Cl)=C2)CC1 C55852 [0,1,0,1,0,0|1,0,0]=3 142 B15R2.28 O=C1CCC(C2=CC=CC(F)=C2)CC1 F32089 [0,1,0,1,0,0|1,0,0]=3 143 B15R2.63978 CN1C(=O)CCCC2=C1C=CC(N)=C2 A14223 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [1,0,0,0,1,0|2,0,0]=4 145 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [1,0,0,0,1,0|0,0,2]=4 146 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [1,0,0,0,1,0|2,0,0]=4 147 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [1,0,0,0,1,0|1,0,0]=3 148 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [1,0,0,0,1,0|1,0,0]=3 149 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [1,0,0,0,1,0|2,0,0]=4 150 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [1,0,0,0,1,0|2,0,0]=4 151 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [1,0,0,0,1,0|2,0,0]=4 152 B11R1.25 COC(=O)CCC1=CC=CN1 M32114 [0,0,0,0,2,0|2,0,0]=4 153 B11R1.40 C=CC(=O)OC1=CC=CC=C1 P32241 [0,0,0,0,2,0|0,0,2]=4 154 B11R1.40 CNC(=O)CC1=CN=CC=C1 M46657 [0,0,0,0,2,0|2,0,0]=4 155 B11R1.40 COC(=O)CC1=CC=NC=C1 M22906 [0,0,0,0,2,0|2,0,0]=4 156 B11R1.40 COC(=O)CC1=CN=CC=C1 M12485 [0,0,0,0,2,0|2,0,0]=4 157 B11R1.40 COC(=O)CC1=NC=CC=C1 M12486 [0,0,0,0,2,0|2,0,0]=4 158 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [0,0,0,0,2,0|1,0,0]=3 159 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B49021 [0,0,0,0,2,0|2,0,0]=4 160 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B64861 [0,0,0,0,2,0|2,0,0]=4 161 B11R1.40 O=C(CBr)OC1=CC=CC=C1 P48564 [0,0,0,0,2,0|1,0,0]=3 162 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C38641 [0,0,0,0,2,0|2,0,0]=4