0 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 CN(C)CCOC1=CC=CC=C1 D53142 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 B37631 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.252 O=C(O)CCCC1=NC=CC=C1 P50052 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.252 O=C(O)CCNC1=CC=CC=C1 P50051 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.252 O=C(O)COCC1=CC=CC=C1 B67512 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.28 BrCCCCC1=CC=CC=C1 B52867 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.28 BrCCCOC1=CC=CC=C1 B39545 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.28 BrCCOCC1=CC=CC=C1 B19978 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.28 C#CCOCC1=CC=CC=C1 P52414 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.28 C=CCOCC1=CC=CC=C1 A52780 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.28 CCCCCC1=CC=CN=C1 P53110 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 CCCCCC1=NC=CC=C1 P53109 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.28 N#CCNCC1=CC=CC=C1 B49709 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.28 NCCOCC1=CC=CC=C1 B50339 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.28 NCCOCC1=CC=CC=C1 B52169 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.28 O=CCCOC1=CC=CC=C1 P49880 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.28 O=CCOCC1=CC=CC=C1 B24494 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.28 OCCCCC1=CC=CC=C1 P69087 [1,0,0,0,0,0|0,0,1]=2 20 B11R1.28 OCCCCC1=CC=NC=C1 P50342 [1,0,0,0,0,0|1,0,1]=3 21 B11R1.28 OCCCCC1=CN=CC=C1 P50341 [1,0,0,0,0,0|1,0,1]=3 22 B11R1.28 OCCCCC1=NC=CC=C1 P50340 [1,0,0,0,0,0|1,0,1]=3 23 B11R1.28 OCCOCC1=CC=CC=C1 B24595 [1,0,0,0,0,0|1,0,1]=3 24 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 P52966 [0,1,0,0,0,0|1,0,0]=2 25 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 P52967 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 A54160 [0,1,0,0,0,0|0,0,0]=1 27 B13R1.45 O=C(Cl)COC(=O)C1=CC=CC=C1 B2755 [0,1,0,0,0,0|2,0,1]=4 28 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 B61392 [0,1,0,0,0,0|0,0,3]=4 29 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 B52614 [0,1,0,0,0,0|0,0,0]=1 30 B13R1.149 O=C(O)CCOC1=CC=CC(F)=C1 F51992 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 F52641 [0,1,0,0,0,0|0,0,0]=1 32 B13R1.158 O=C(O)CCOC1=C(F)C=CC=C1 F51991 [0,1,0,0,0,0|1,0,0]=2 33 B13R1.158 O=C(O)C\C=C\C1=C(F)C=CC=C1 F65412 [0,1,0,0,0,0|0,0,2]=3 34 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)O B67100 [0,1,0,0,0,0|1,0,0]=2 35 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O B52822 [0,1,0,0,0,0|1,0,0]=2 36 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O B65085 [0,1,0,0,0,0|1,0,0]=2 37 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O A38614 [0,1,0,0,0,0|0,0,0]=1 38 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O A61136 [0,1,0,0,0,0|1,0,0]=2 39 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 X52456 [0,1,0,0,0,0|0,0,1]=2 40 B13R1.351 O=C(O)[C@@H](Br)CCC1=CC=CC=C1 B65537 [0,1,0,0,0,0|0,0,0]=1 41 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 H52834 [0,1,0,0,0,0|0,0,0]=1 42 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 H61047 [0,1,0,0,0,0|0,0,0]=1 43 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 P54767 [0,1,0,0,0,0|0,0,0]=1 44 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 A68979 [0,1,0,0,0,0|0,0,0]=1 45 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 B52615 [0,1,0,0,0,0|0,0,0]=1 46 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 C38697 [0,1,0,0,0,0|0,0,0]=1 47 B13R1.513 O=C(O)CCCC1=CC=C(I)C=C1 K52648 [0,1,0,0,0,0|0,0,0]=1 48 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 H69215 [0,1,0,0,0,0|0,0,0]=1 49 B13R1.513 O=C(O)CCNC1=CC=C(Br)C=C1 B49795 [0,1,0,0,0,0|1,0,0]=2 50 B13R1.718 CCC(=O)COCC1=CC=CC=C1 B54766 [0,1,0,0,0,0|2,0,0]=3 51 B13R1.718 COC(=O)CCNC1=CC=CC=C1 M52952 [0,1,0,0,0,0|1,0,0]=2 52 B13R1.718 COC(=O)CNCC1=CC=CC=C1 M52944 [0,1,0,0,0,0|1,0,0]=2 53 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 A54199 [0,1,0,0,0,0|2,0,1]=4 54 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 B53094 [0,1,0,0,0,0|1,0,2]=4 55 B13R1.718 O[C@@H](CCl)CNCC1=CC=CC=C1 B67106 [0,1,0,0,0,0|2,0,1]=4 56 B13R1.718 O[C@H](CCl)CNCC1=CC=CC=C1 B67107 [0,1,0,0,0,0|2,0,1]=4 57 B13R1.718 O[C@H](CCl)COCC1=CC=CC=C1 C60793 [0,1,0,0,0,0|2,0,1]=4 58 B13R1.3523 CC(C)(O)CNCC1=CC=CC=C1 B54991 [0,1,0,0,0,0|2,0,1]=4 59 B13R1.3523 CS(=O)(=O)OCCC1=CC=CC=C1 P50302 [0,1,0,0,0,0|2,0,1]=4 60 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 M30077 [0,0,0,1,0,0|2,0,1]=4 61 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 P37550 [0,0,0,1,0,0|1,0,1]=3 62 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 P32385 [0,0,0,1,0,0|2,0,0]=3 63 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P61078 [0,0,0,1,0,0|2,0,0]=3 64 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 P11961 [0,0,0,1,0,0|2,0,0]=3 65 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 P51871 [0,0,0,1,0,0|2,1,0]=4 66 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 P16573 [0,0,0,1,0,0|2,1,0]=4 67 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 P13335 [0,0,0,1,0,0|2,0,0]=3 68 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 B0168 [0,0,0,1,0,0|2,0,1]=4 69 B13R2.72 CC(=O)N1CCC2=C1C=CC=C2 K52542 [0,0,0,1,0,0|2,0,0]=3 70 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 B50992 [0,0,0,1,0,0|1,0,2]=4 71 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 B37963 [0,0,0,1,0,0|1,0,2]=4 72 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 I1543 [0,0,0,1,0,0|2,0,1]=4 73 B13R2.72 O=C(O)[C@@H]1CCC2=C1C=CC=C2 K52427 [0,0,0,1,0,0|0,0,0]=1 74 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 K52237 [0,0,0,1,0,0|1,0,0]=2 75 B13R2.72 O=C(O)[C@H]1NCC2=C1C=CC=C2 K52238 [0,0,0,1,0,0|1,0,0]=2 76 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 D52553 [0,0,0,1,0,0|1,0,0]=2 77 B13R2.163 O=C1CCCC2=CC=CN=C2N1 D49730 [0,0,0,1,0,0|2,0,0]=3 78 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 P38188 [0,0,0,1,0,0|0,0,0]=1 79 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 P51791 [0,0,0,1,0,0|1,0,0]=2 80 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 P30012 [0,0,0,1,0,0|0,0,0]=1 81 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 P30011 [0,0,0,1,0,0|0,0,0]=1 82 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 B52803 [0,0,0,1,0,0|2,0,1]=4 83 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 B37857 [0,0,0,1,0,0|2,0,1]=4 84 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 B52802 [0,0,0,1,0,0|2,0,1]=4 85 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [0,0,0,0,1,0|3,0,0]=4 86 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [0,0,0,0,1,0|1,0,2]=4 87 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [0,0,0,0,1,0|2,0,0]=3 88 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [0,0,0,0,1,0|2,0,0]=3 89 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 C61979 [0,0,0,0,1,0|1,0,2]=4 90 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [0,0,0,0,1,0|1,0,0]=2 91 B11R1.91 O=C(O)C#CC1=CC=CC=C1 P67832 [0,0,0,0,1,0|0,0,2]=3 92 B11R1.91 O=C(O)C#CC1=CN=CC=C1 P47713 [0,0,0,0,1,0|1,0,2]=4 93 B11R1.91 O=C(O)C=CC1=CN=CC=C1 P48460 [0,0,0,0,1,0|1,0,2]=4 94 B11R1.91 O=C(O)C=CC1=NC=CC=C1 P48456 [0,0,0,0,1,0|1,0,2]=4 95 B11R1.91 O=C(O)CCC1=CN=NC=C1 P60455 [0,0,0,0,1,0|2,0,0]=3 96 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [0,0,0,0,1,0|1,0,0]=2 97 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [0,0,0,0,1,0|1,0,0]=2 98 B11R1.91 O=C(O)CNC1=CN=CC=C1 P46005 [0,0,0,0,1,0|2,0,0]=3 99 B11R1.91 O=C(O)COC1=CC=NC=C1 P45840 [0,0,0,0,1,0|2,0,0]=3 100 B11R1.91 O=C(O)COC1=CN=CC=C1 P45834 [0,0,0,0,1,0|2,0,0]=3 101 B11R1.91 O=C(O)CSC1=CC=NC=C1 P68840 [0,0,0,0,1,0|2,0,0]=3 102 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C37831 [0,0,0,0,1,0|0,0,2]=3 103 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 P69501 [0,0,0,0,1,0|1,0,2]=4 104 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 P48463 [0,0,0,0,1,0|1,0,2]=4 105 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [0,0,0,0,1,0|1,0,1]=3 106 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [0,0,0,0,1,0|1,0,1]=3 107 B11R1.172 O=C(O)CCCC1=CC=CS1 T69302 [0,0,0,0,1,0|1,0,0]=2 108 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [2,0,0,0,0,0|1,0,0]=3 109 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [2,0,0,0,0,0|0,0,2]=4 111 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [2,0,0,0,0,0|1,0,1]=4 112 B10R1.17 C=COCC1=CC=CC=C1 B26636 [2,0,0,0,0,0|1,0,1]=4 113 B10R1.17 CCCCC1=CC=NC=C1 B50306 [2,0,0,0,0,0|1,0,1]=4 114 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [2,0,0,0,0,0|1,0,1]=4 115 B10R1.17 CCCOC1=CC=CC=C1 P50263 [2,0,0,0,0,0|1,0,1]=4 116 B10R1.17 CCNCC1=CC=CC=C1 B39547 [2,0,0,0,0,0|1,0,1]=4 117 B10R1.17 CCOCC1=CC=CC=C1 E50267 [2,0,0,0,0,0|1,0,1]=4 118 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.17 NCCCC1=CC=NC=C1 P46966 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.17 NCCNC1=CC=CC=C1 P61733 [2,0,0,0,0,0|2,0,0]=4 122 B10R1.17 NCCOC1=CC=CC=C1 P46889 [2,0,0,0,0,0|2,0,0]=4 123 B10R1.17 O=CC#CC1=CC=CC=C1 P68152 [2,0,0,0,0,0|0,0,2]=4 124 B10R1.17 OCC#CC1=CC=CC=C1 P51545 [2,0,0,0,0,0|0,0,2]=4 125 B10R1.17 OCCCC1=CC=NC=C1 P46905 [2,0,0,0,0,0|1,0,0]=3 126 B10R1.17 OCCCC1=NC=CC=C1 P62447 [2,0,0,0,0,0|1,0,0]=3 127 B10R1.17 OCCCC1=NC=CC=C1 P7829 [2,0,0,0,0,0|1,0,0]=3 128 B10R1.17 OCCSC1=NC=CC=C1 P46439 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [2,0,0,0,0,0|1,0,0]=3 130 B12R1.1 CCCCCC1=CC=C(Br)C=C1 B4837 [1,1,0,0,0,0|1,0,1]=4 131 B12R1.1 CCCCCC1=CC=C([Mg+])C=C1 P31797 [1,1,0,0,0,0|1,0,1]=4 132 B12R1.1 FC1=CC=C(CCCCCl)C=C1 C52680 [1,1,0,0,0,0|1,0,1]=4 133 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 C53068 [1,1,0,0,0,0|1,0,1]=4 134 B12R1.8 BrCCCCOC1=CC=CC=C1 B53012 [1,1,0,0,0,0|1,0,1]=4 135 B12R1.8 BrCCCOCC1=CC=CC=C1 B53016 [1,1,0,0,0,0|1,0,1]=4 136 B12R1.8 NCCCNCC1=CC=CC=C1 B53178 [1,1,0,0,0,0|1,0,1]=4 137 B12R1.8 NCCCOCC1=CC=CC=C1 B53135 [1,1,0,0,0,0|1,0,1]=4 138 B12R1.8 O=CCCOCC1=CC=CC=C1 B1995 [1,1,0,0,0,0|0,0,0]=2 139 B12R1.8 OCCCNCC1=CC=CC=C1 B53134 [1,1,0,0,0,0|0,0,1]=3 140 B12R1.8 OCCCOCC1=CC=CC=C1 B53086 [1,1,0,0,0,0|0,0,1]=3 141 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B53141 [1,1,0,0,0,0|1,0,1]=4 142 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B67328 [1,1,0,0,0,0|1,0,1]=4 143 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 B53085 [1,1,0,0,0,0|1,0,1]=4 144 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 B53140 [1,1,0,0,0,0|1,0,1]=4 145 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A54196 [1,1,0,0,0,0|0,0,1]=3 146 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A60951 [1,1,0,0,0,0|0,0,1]=3 147 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 X51780 [1,1,0,0,0,0|1,0,1]=4 148 B12R1.32 CN(CCO)CC1=CC=CC=C1 B39619 [1,1,0,0,0,0|1,0,1]=4 149 B12R1.267 C=CCCOC1=C(Br)C=CC=C1 B65350 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.21 CC1=CC=C(C=CC(=O)O)C=C1 T52428 [0,1,0,0,1,0|0,0,2]=4 151 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 T39588 [0,1,0,0,1,0|0,0,2]=4 152 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 A50056 [0,1,0,0,1,0|0,0,0]=2 153 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 A49317 [0,1,0,0,1,0|1,0,0]=3 154 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 A46681 [0,1,0,0,1,0|1,0,0]=3 155 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 C50769 [0,1,0,0,1,0|0,0,2]=4 156 B12R1.21 O=C(O)C=CC1=CC=C(Br)C=C1 B39566 [0,1,0,0,1,0|0,0,2]=4 157 B12R1.21 O=C(O)C=CC1=CC=C(Cl)C=C1 C39568 [0,1,0,0,1,0|0,0,2]=4 158 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C51922 [0,1,0,0,1,0|0,0,0]=2 159 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F51936 [0,1,0,0,1,0|0,0,0]=2 160 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 K51958 [0,1,0,0,1,0|0,0,0]=2 161 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B39587 [0,1,0,0,1,0|0,0,1]=3 162 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [0,1,0,0,1,0|1,0,0]=3 163 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)Cl P51914 [0,1,0,0,1,0|2,0,0]=4 164 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O P69450 [0,1,0,0,1,0|1,0,0]=3 165 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 A67883 [0,1,0,0,1,0|1,0,0]=3 166 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [0,1,0,0,1,0|0,0,0]=2 167 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [0,1,0,0,1,0|0,0,0]=2 168 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49500 [0,1,0,0,1,0|1,0,0]=3 169 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49660 [0,1,0,0,1,0|1,0,0]=3 170 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O A49659 [0,1,0,0,1,0|1,0,0]=3 171 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A46684 [0,1,0,0,1,0|1,0,0]=3 172 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O A61463 [0,1,0,0,1,0|1,0,0]=3 173 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O A60776 [0,1,0,0,1,0|1,0,0]=3 174 B12R1.43 O=C(Cl)[C@@H](Br)CC1=CC=CC=C1 B6285 [0,1,0,0,1,0|1,0,0]=3 175 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [0,1,0,0,1,0|0,0,0]=2 176 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [0,1,0,0,1,0|0,0,0]=2 177 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [0,1,0,0,1,0|0,0,0]=2 178 B12R1.43 O=C([O-])N(O)CC1=CC=CC=C1 B49301 [0,1,0,0,1,0|1,0,1]=4 179 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [0,1,0,0,1,0|1,0,1]=4 180 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 P65406 [0,1,0,0,1,0|2,0,0]=4 181 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 P38479 [0,1,0,0,1,0|2,0,0]=4 182 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M52117 [0,1,0,0,1,0|1,0,0]=3 183 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [0,1,0,0,1,0|0,0,0]=2 184 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 P65387 [0,1,0,0,1,0|2,0,0]=4 185 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 P65388 [0,1,0,0,1,0|2,0,0]=4 186 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [0,1,0,0,1,0|0,0,0]=2 187 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [0,1,0,0,1,0|0,0,0]=2 188 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [0,1,0,0,1,0|0,0,0]=2 189 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 A46676 [0,1,0,0,1,0|1,0,0]=3 190 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [0,1,0,0,1,0|0,0,0]=2 191 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [0,1,0,0,1,0|0,0,0]=2 192 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [0,1,0,0,1,0|0,0,0]=2 193 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 S52053 [0,1,0,0,1,0|0,0,2]=4 194 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 H50049 [0,1,0,0,1,0|2,0,0]=4 195 B12R1.125 CC1=C(C=CC(=O)O)C=CC=C1 M52420 [0,1,0,0,1,0|0,0,2]=4 196 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [0,1,0,0,1,0|0,0,0]=2 197 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 M62392 [0,1,0,0,1,0|1,0,0]=3 198 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [0,1,0,0,1,0|0,0,0]=2 199 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [0,1,0,0,1,0|0,0,0]=2 200 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [0,1,0,0,1,0|0,0,0]=2 201 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [0,1,0,0,1,0|0,0,0]=2 202 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 F48669 [0,1,0,0,1,0|1,0,0]=3 203 B12R1.125 O=C(O)CSC1=C(Cl)C=CC=C1 C64672 [0,1,0,0,1,0|1,0,0]=3 204 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 B62216 [0,1,0,0,1,0|0,0,2]=4 205 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 C6638 [0,1,0,0,1,0|0,0,2]=4 206 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 F68685 [0,1,0,0,1,0|0,0,2]=4 207 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H68558 [0,1,0,0,1,0|0,0,2]=4 208 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 M52805 [0,1,0,0,1,0|0,0,0]=2 209 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 T69043 [0,1,0,0,1,0|1,0,0]=3 210 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 M66326 [0,1,0,0,1,0|0,0,2]=4 211 B12R1.226 O=C(O)C=CC1=CC=CC(Cl)=C1 C39567 [0,1,0,0,1,0|0,0,2]=4 212 B12R1.226 O=C(O)C=CC1=CC=CC(I)=C1 K51272 [0,1,0,0,1,0|0,0,2]=4 213 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H67695 [0,1,0,0,1,0|0,0,0]=2 214 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B51889 [0,1,0,0,1,0|0,0,0]=2 215 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 C51921 [0,1,0,0,1,0|0,0,0]=2 216 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F51935 [0,1,0,0,1,0|0,0,0]=2 217 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 B63813 [0,1,0,0,1,0|1,0,0]=3 218 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 F48670 [0,1,0,0,1,0|1,0,0]=3 219 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 P38151 [0,1,0,0,1,0|1,0,1]=4 220 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 T49110 [0,1,0,0,1,0|1,0,1]=4 221 B14R1.148 O=C(O)CCCCC1=CC=CC(Br)=C1 B54667 [0,1,0,0,0,1|0,0,0]=2 222 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 A55506 [0,1,0,0,0,1|0,0,0]=2 223 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 X67662 [0,1,0,0,0,1|0,0,0]=2 224 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 P38680 [0,1,0,0,0,1|0,0,1]=3 225 B14R1.677 O=C(O)CCCOC1=CC=C(Br)C=C1 B52653 [0,1,0,0,0,1|0,0,0]=2 226 B14R1.677 O=C(O)CCCOC1=CC=C(Cl)C=C1 C52659 [0,1,0,0,0,1|0,0,0]=2 227 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 M54865 [0,1,0,0,0,1|0,0,0]=2 228 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 M54788 [0,1,0,0,0,1|0,0,0]=2 229 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 B68819 [0,1,0,0,0,1|1,0,1]=4 230 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O A54864 [0,1,0,0,0,1|0,0,0]=2 231 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O A54867 [0,1,0,0,0,1|0,0,0]=2 232 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O A68012 [0,1,0,0,0,1|0,0,0]=2 233 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O B52975 [0,1,0,0,0,1|0,0,0]=2 234 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O B68301 [0,1,0,0,0,1|0,0,0]=2 235 B14R1.149 O=C(O)CCC(=O)C1=CC=CC(F)=C1 F65477 [0,2,0,0,0,0|0,0,1]=3 236 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O A54115 [0,2,0,0,0,0|0,0,1]=3 237 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 X54572 [0,2,0,0,0,0|0,0,1]=3 238 B14R1.678 CC1=CC=C([C@@H](N)CCC(=O)O)C=C1 A55505 [0,2,0,0,0,0|0,0,0]=2 239 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 B54020 [0,2,0,0,0,0|0,0,1]=3 240 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 F68300 [0,2,0,0,0,0|0,0,1]=3 241 B14R1.813 O=C(O)CCS(=O)(=O)C1=CC=CC=C1 P49952 [0,2,0,0,0,0|1,0,0]=3 242 B14R1.813 O=C(O)CC[P@@](=O)(O)C1=CC=CC=C1 H50141 [0,2,0,0,0,0|1,0,0]=3 243 B14R1.687 O=C(O)CNCC1=CC(Cl)=C(Cl)C=C1 D51799 [0,2,0,0,0,0|1,0,0]=3 244 B14R1.5978 N[C@H](CC(=O)O)CC1=CC=CC(Cl)=C1 A52761 [0,2,0,0,0,0|0,0,0]=2 245 B14R1.5978 N[C@H](CC(=O)O)CC1=CC=CC(Cl)=C1 A52762 [0,2,0,0,0,0|0,0,0]=2 246 B14R1.337 CC1=C(C[C@@H](N)CC(=O)O)C=CC=C1 A54871 [0,2,0,0,0,0|0,0,0]=2 247 B14R1.837 COC(=O)CCCC1=C(O)C=CC=C1 M54799 [0,2,0,0,0,0|0,0,0]=2 248 B14R1.425 N[C@@H](CC1=CC=CC=C1)[C@@H](O)C(=O)O A62968 [0,2,0,0,0,0|0,0,0]=2 249 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O A52987 [0,2,0,0,0,0|0,0,0]=2 250 B14R1.549 CC(=O)N[C@H](CO)CC1=CC=CC=C1 H54874 [0,2,0,0,0,0|2,0,0]=4 251 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 M54573 [0,2,0,0,0,0|0,0,1]=3 252 B14R1.756 COC(=O)[C@@H](C)OCC1=CC=CC=C1 M67097 [0,2,0,0,0,0|1,0,0]=3 253 B14R1.4194 O=C(O)[C@@H](CO)NCC1=CC=CC=C1 B52984 [0,2,0,0,0,0|1,0,0]=3 254 B14R1.4 CCC1=CC=C(CCCC(=O)O)C=C1 E38126 [0,2,0,0,0,0|0,0,0]=2 255 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 M54789 [0,2,0,0,0,0|0,0,0]=2 256 B14R1.4 COC1=CC=C(COCC(=O)O)C=C1 M52856 [0,2,0,0,0,0|1,0,0]=3 257 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 M52855 [0,2,0,0,0,0|1,0,0]=3 258 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 M67740 [0,2,0,0,0,0|0,0,0]=2 259 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 E53049 [0,2,0,0,0,0|2,0,0]=4 260 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 E65599 [0,2,0,0,0,0|1,0,0]=3 261 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 E68308 [0,2,0,0,0,0|1,0,0]=3 262 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 E54787 [0,2,0,0,0,0|1,0,0]=3 263 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 E54861 [0,2,0,0,0,0|1,0,0]=3 264 B12R2.1 C#C[C@H]1CCC2=C1C=CC=C2 E64384 [1,0,0,1,0,0|1,0,1]=4 265 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P15957 [1,0,0,1,0,0|1,0,1]=4 266 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P24436 [1,0,0,1,0,0|1,0,1]=4 267 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P54138 [1,0,0,1,0,0|1,0,1]=4 268 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 P1193 [1,0,0,1,0,0|0,0,1]=3 269 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 P24304 [1,0,0,1,0,0|1,0,1]=4 270 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P24713 [1,0,0,1,0,0|2,0,0]=4 271 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25684 [1,0,0,1,0,0|2,0,0]=4 272 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25740 [1,0,0,1,0,0|2,0,0]=4 273 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P26657 [1,0,0,1,0,0|2,0,0]=4 274 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [1,0,0,1,0,0|0,0,0]=2 275 B12R2.27 OCC1CC1C2=CC=CC=C2 P52781 [1,0,0,1,0,0|0,0,1]=3 276 B12R2.41 C1=CC2=C(C=C1)CNCCC2 T69161 [1,0,0,1,0,0|2,0,0]=4 277 B12R2.41 C1=CC2=C(C=C1)NCCCC2 T32455 [1,0,0,1,0,0|1,0,1]=4 278 B12R2.41 C1=CC2=C(C=C1)OCCNC2 T50030 [1,0,0,1,0,0|1,0,1]=4 279 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 T22529 [1,0,0,1,0,0|1,0,1]=4 280 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 T22530 [1,0,0,1,0,0|1,0,1]=4 281 B12R2.1081 O=C1CCCC2=C1C=CC=N2 D0654 [1,0,0,1,0,0|1,0,0]=3 282 B12R2.1081 O=C1CCCC2=C1C=CN=C2 D69568 [1,0,0,1,0,0|1,0,0]=3 283 B12R2.1081 O=C1CCCC2=C1C=NC=C2 D52235 [1,0,0,1,0,0|1,0,0]=3 284 B12R2.1081 O=C1CCCC2=CC=CN=C12 D51765 [1,0,0,1,0,0|1,0,0]=3 285 B12R2.1081 O=C1CCNC2=C1C=CC=C2 D39113 [1,0,0,1,0,0|1,0,0]=3 286 B12R2.1081 O=C1CCOC2=C1C=CC=C2 C67858 [1,0,0,1,0,0|1,0,0]=3 287 B12R2.1081 O=C1CCOC2=CC=CN=C12 P48464 [1,0,0,1,0,0|2,0,0]=4 288 B12R2.1081 O=C1COCC2=C1C=CC=C2 I4950 [1,0,0,1,0,0|1,0,0]=3 289 B12R2.1081 O=C1CSCC2=C1C=CC=C2 T62209 [1,0,0,1,0,0|1,0,0]=3 290 B12R2.1081 O=C1NCCC2=C1C=CC=C2 D37571 [1,0,0,1,0,0|1,0,0]=3 291 B12R2.1081 O=C1NCCC2=C1C=CC=N2 D48818 [1,0,0,1,0,0|2,0,0]=4 292 B12R2.1081 O=C1NCCC2=C1C=NC=C2 D13447 [1,0,0,1,0,0|2,0,0]=4 293 B12R2.1081 O=C1NCCC2=CC=CN=C12 D48817 [1,0,0,1,0,0|2,0,0]=4 294 B12R2.1081 O=C1OCCC2=C1C=CC=C2 C51549 [1,0,0,1,0,0|1,0,0]=3 295 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T67609 [1,0,0,1,0,0|0,0,1]=3 296 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 T50023 [1,0,0,1,0,0|1,0,1]=4 297 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 T50022 [1,0,0,1,0,0|1,0,1]=4 298 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 G49884 [1,0,0,1,0,0|1,0,1]=4 299 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [0,0,0,1,1,0|1,0,0]=3 300 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C39572 [0,0,0,1,1,0|2,0,0]=4 301 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [0,0,0,1,1,0|1,0,0]=3 302 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 D13325 [0,0,0,1,1,0|2,0,0]=4 303 B12R2.24 O=C1CCC2=CC=CN=C2N1 D0689 [0,0,0,1,1,0|2,0,0]=4 304 B12R2.24 O=C1COC2=C(C=CC=C2)N1 B48457 [0,0,0,1,1,0|2,0,0]=4 305 B12R2.24 O=C1COC2=C(C=CC=C2)O1 B62111 [0,0,0,1,1,0|1,0,0]=3 306 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 D48807 [0,0,0,1,1,0|2,0,0]=4 307 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 T38300 [0,0,0,1,1,0|1,0,1]=4 308 B14R2.2 CC(=O)O[C@H]1CCC2=CC=CN=C21 D60958 [0,0,0,1,0,1|2,0,0]=4 309 B14R2.2 O=C(O)CC1=C2C=CC=CC2=CO1 B53806 [0,0,0,1,0,1|0,0,2]=4 310 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 B24693 [0,0,0,1,0,1|0,0,2]=4 311 B14R2.2 O=C(O)CC1=NNC2=C1C=CC=C2 K51377 [0,0,0,1,0,1|1,0,1]=4 312 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 B51206 [0,0,0,1,0,1|1,0,1]=4 313 B14R2.2 O=C(O)CN1C=CC2=C1C=CC=C2 I28232 [0,0,0,1,0,1|0,0,2]=4 314 B14R2.2 O=C(O)CN1C=NC2=C1C=CC=C2 B61726 [0,0,0,1,0,1|1,0,1]=4 315 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 B6949 [0,0,0,1,0,1|1,0,0]=3 316 B14R2.19 O=C1C[C@H](CC2=CC=CC=C2)CO1 B54554 [0,0,0,1,0,1|1,0,0]=3 317 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B27980 [0,0,0,1,0,1|1,0,0]=3 318 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 B52611 [0,0,0,1,0,1|1,1,0]=4 319 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 P52557 [0,0,0,1,0,1|1,0,0]=3 320 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 B8236 [0,0,0,1,0,1|1,0,0]=3 321 B14R2.436 OC1CC(OCC2=CC=CC=C2)C1 B11665 [0,0,0,1,0,1|1,0,1]=4 322 B14R2.436 O[C@H]1C[C@@H](OCC2=CC=CC=C2)C1 B22528 [0,0,0,1,0,1|1,0,1]=4 323 B14R2.436 O[C@H]1C[C@H](OCC2=CC=CC=C2)C1 B19268 [0,0,0,1,0,1|1,0,1]=4 324 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 T54559 [0,0,0,1,0,1|0,0,0]=2 325 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 T54563 [0,0,0,1,0,1|0,0,0]=2 326 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 T20153 [0,0,0,1,0,1|0,0,0]=2 327 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 T54111 [0,0,0,1,0,1|0,0,0]=2 328 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 T60531 [0,0,0,1,0,1|0,0,0]=2 329 B14R2.31359 O=C(O)[C@@H]1OCCC2=C1C=CC=C2 C62395 [0,0,0,1,0,1|0,0,0]=2 330 B14R2.31359 O=C(O)[C@H]1CCCC2=C1C=CC=C2 T54560 [0,0,0,1,0,1|0,0,0]=2 331 B14R2.31359 O=C(O)[C@H]1NCCC2=C1C=CC=C2 T52581 [0,0,0,1,0,1|0,0,0]=2 332 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 P39676 [0,1,0,1,0,0|1,0,0]=3 333 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 P54629 [0,1,0,1,0,0|2,0,0]=4 334 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 P19914 [0,1,0,1,0,0|1,0,0]=3 335 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 P54109 [0,1,0,1,0,0|1,0,0]=3 336 B14R2.68 O=C1COC(C2=CC=CC=C2)OC1 P52455 [0,1,0,1,0,0|1,0,0]=3 337 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 D12993 [0,1,0,1,0,0|1,0,1]=4 338 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 P24775 [0,1,0,1,0,0|0,0,0]=2 339 B14R2.22 O=C1C[C@H](C2=CC=CC(Br)=C2)CN1 B5360 [0,1,0,1,0,0|2,0,0]=4 340 B14R2.300 CC(=O)N1CCC2=C1C=CC(O)=C2 H52564 [0,1,0,1,0,0|2,0,0]=4 341 B14R2.390 O=C1CCCC2=CC=CC(F)=C2N1 F52403 [0,1,0,1,0,0|1,0,0]=3 342 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Cl)=C2 C53996 [0,1,0,1,0,0|0,0,0]=2 343 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC=CC(F)=C2 F61658 [0,1,0,1,0,0|0,0,0]=2 344 B14R2.7974 NC1=CC2=C(C=C1)NC(=O)CCC2 A14224 [0,1,0,1,0,0|1,0,0]=3 345 B14R2.256 O=C1CC[C@H](C2=C(F)C=CC=C2)C1 F37688 [0,1,0,1,0,0|1,0,0]=3 346 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 I38816 [0,1,0,1,0,0|0,0,2]=4 347 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)S1 B53803 [0,1,0,1,0,0|0,0,2]=4 348 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)N1 B37433 [0,1,0,1,0,0|1,0,1]=4 349 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 P64908 [0,1,0,1,0,0|1,0,0]=3 350 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 T54113 [0,1,0,1,0,0|1,0,0]=3 351 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 T67672 [0,1,0,1,0,0|1,0,0]=3 352 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 T54110 [0,1,0,1,0,0|0,0,0]=2 353 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 C37839 [0,1,0,1,0,0|0,0,0]=2 354 B14R2.781 O=C(O)[C@@H]1CNC2=C(C=CC=C2)C1 T64049 [0,1,0,1,0,0|1,0,0]=3 355 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 D9562 [0,1,0,1,0,0|1,0,0]=3 356 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 T52580 [0,1,0,1,0,0|1,0,0]=3 357 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)C1 T54558 [0,1,0,1,0,0|0,0,0]=2 358 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=N2)C1 T52577 [0,1,0,1,0,0|1,0,0]=3 359 B14R2.5443 O=C(O)C1CC1C2=C(Br)C=CC=C2 B53989 [0,1,0,1,0,0|0,0,0]=2 360 B14R2.5443 O=C(O)C1CC1C2=C(Cl)C=CC=C2 C17014 [0,1,0,1,0,0|0,0,0]=2 361 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(Br)C=CC=C2 B61659 [0,1,0,1,0,0|0,0,0]=2 362 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(F)C=CC=C2 F61868 [0,1,0,1,0,0|0,0,0]=2 363 B14R2.8032 CC(=O)N1CCC2=C1C=CC=C2N A52687 [0,1,0,1,0,0|2,0,0]=4 364 B14R2.8032 CC(=O)N1CCC2=C1C=CC=C2O H52563 [0,1,0,1,0,0|2,0,0]=4 365 B14R2.28454 O=C1CCCC2=C(F)C=CC=C2N1 F52402 [0,1,0,1,0,0|1,0,0]=3 366 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 M52572 [0,1,0,1,0,0|1,0,0]=3 367 B14R2.31 O=C1CC[C@@H]1OCC2=CC=CC=C2 B13430 [0,1,0,1,0,0|2,0,0]=4 368 B14R2.741 CN1CCC2=C(C=CC=C2)CC1=O M64138 [0,1,0,1,0,0|2,0,0]=4 369 B14R2.741 N[C@H]1CCC2=C(C=CC=C2)NC1=O A52692 [0,1,0,1,0,0|1,0,0]=3 370 B14R2.741 O=C1NC2=C(C=CC=C2)CC[C@@H]1Br B52396 [0,1,0,1,0,0|1,0,0]=3 371 B14R2.20 O=C1CC[C@@H](C2=CC=C(Br)C=C2)N1 B52394 [0,1,0,1,0,0|1,0,0]=3 372 B14R2.20 O=C1CC[C@@H](C2=CC=C(O)C=C2)N1 H52567 [0,1,0,1,0,0|1,0,0]=3 373 B14R2.20 O=C1C[C@H](C2=CC=C(Cl)C=C2)CN1 C52398 [0,1,0,1,0,0|2,0,0]=4 374 B14R2.20 O=C1C[C@H](C2=CC=C(F)C=C2)CN1 F52400 [0,1,0,1,0,0|2,0,0]=4 375 B14R2.20 O=C1NC[C@@H](C2=CC=C(Br)C=C2)O1 B61250 [0,1,0,1,0,0|1,0,0]=3 376 B14R2.380 NC1=CC2=C(C=C1)CCCC(=O)N2 A1769 [0,1,0,1,0,0|1,0,0]=3 377 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 B38910 [0,1,0,1,0,0|0,0,0]=2 378 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 C53997 [0,1,0,1,0,0|0,0,0]=2 379 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 F54003 [0,1,0,1,0,0|0,0,0]=2 380 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(F)C=C2 F61869 [0,1,0,1,0,0|0,0,0]=2 381 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(O)C=C2 H29928 [0,1,0,1,0,0|0,0,0]=2 382 B14R2.5816 O=C(O)[C@@H]1CCC2=C1C=C(Br)C=C2 B38090 [0,1,0,1,0,0|0,0,0]=2 383 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [0,0,0,0,2,0|2,0,0]=4 384 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [0,0,0,0,2,0|2,0,0]=4 385 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [0,0,0,0,2,0|2,0,0]=4 386 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [0,0,0,0,2,0|2,0,0]=4 387 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [0,0,0,0,2,0|1,0,0]=3 388 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [0,0,0,0,2,0|2,0,0]=4 389 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [0,0,0,0,2,0|2,0,0]=4 390 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [0,0,0,0,2,0|1,0,0]=3 391 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [0,0,0,0,2,0|1,0,0]=3 392 B10R1.18 O=C(O)CC1=CN=CN=C1 P12239 [0,0,0,0,2,0|2,0,0]=4 393 B10R1.18 O=C(O)CC1=CN=NC=C1 P10225 [0,0,0,0,2,0|2,0,0]=4 394 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [0,0,0,0,2,0|1,0,0]=3 395 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [0,0,0,0,2,0|1,0,0]=3 396 B10R1.18 O=C(O)CC1=NC=CC=N1 P0756 [0,0,0,0,2,0|2,0,0]=4 397 B10R1.18 O=C(O)CC1=NC=CN=C1 P12241 [0,0,0,0,2,0|2,0,0]=4 398 B10R1.18 O=C(O)CC1=NC=NC=C1 P12245 [0,0,0,0,2,0|2,0,0]=4 399 B10R1.18 O=C(O)CC1=NN=CC=C1 P12243 [0,0,0,0,2,0|2,0,0]=4 400 B10R1.66 O=C(O)CCC1=CC=CN1 P46404 [0,0,0,0,2,0|1,0,0]=3 401 B10R1.66 O=C(O)CCC1=CC=CO1 F46252 [0,0,0,0,2,0|1,0,0]=3 402 B10R1.66 O=C(O)CCC1=CC=CS1 T46244 [0,0,0,0,2,0|1,0,0]=3 403 B10R1.66 O=C(O)CCC1=NC=CN1 I38399 [0,0,0,0,2,0|2,0,0]=4 404 B10R1.66 O=C(O)CCN1C=CC=N1 P67578 [0,0,0,0,2,0|2,0,0]=4 405 B14R1.422 O=C(O)CCCOCC1=CC=CC=C1 B69525 [0,0,0,0,0,2|0,0,0]=2