0 B13R1.21 CN[C@H](C)[C@H](O)C1=CC=C(O)C=C1 DY569883 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.16 CCCC(C)C1=CC=C(O)C=C1 DY822171 [1,0,0,0,0,0|3,0,0]=4 2 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 DY459216 [1,0,0,0,0,0|3,0,0]=4 3 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 NO11969 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 NO14753 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 NO19558 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 DY625183 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.16 OC(CCCl)C1=CC=C(Br)C=C1 DY745909 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 DY460716 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 DY822085 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 NO20354 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 DY796635 [1,0,0,0,0,0|1,0,0]=2 12 B14R1.7 CSC1=CC=C([C@H](O)[C@@H](N)CO)C=C1 DY530637 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.1 CCCCC1=CC=C(C)C=C1 DY791931 [2,0,0,0,0,0|2,0,0]=4 14 B11R1.1 CCOCC1=CC=C(N)C=C1 DY575247 [2,0,0,0,0,0|2,0,0]=4 15 B11R1.1 NCCCC1=CC=C(F)C=C1 DY501891 [2,0,0,0,0,0|2,0,0]=4 16 B11R1.1 OCCCC1=CC=C(Cl)C=C1 DY797043 [2,0,0,0,0,0|1,0,0]=3 17 B11R1.1 OCCCC1=CC=C(O)C=C1 DY502467 [2,0,0,0,0,0|1,0,0]=3 18 B11R1.16 CNCC(O)C1=CC=CC=C1 DY446674 [2,0,0,0,0,0|2,0,0]=4 19 B11R1.16 ClCCC(Cl)C1=CC=CC=C1 DY522237 [2,0,0,0,0,0|2,0,0]=4 20 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 NO21217 [2,0,0,0,0,0|1,0,0]=3 21 B11R1.16 OC(CCCl)C1=CC=CC=C1 NO22197 [2,0,0,0,0,0|1,0,0]=3 22 B11R1.16 OCCC(O)C1=CC=NC=C1 DY548901 [2,0,0,0,0,0|1,0,0]=3 23 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 NO10897 [2,0,0,0,0,0|1,0,0]=3 24 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 DY20313 [2,0,0,0,0,0|1,0,0]=3 25 B11R1.22 CC(CO)C1=CC=C(Br)C=C1 DY454677 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 DY584618 [2,0,0,0,0,0|0,0,2]=4 27 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 NO18281 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.22 CCC(N)C1=CC=C(O)C=C1 DY605123 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 DY621657 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.22 CC[C@H](O)C1=CC=C(F)C=C1 DY623735 [2,0,0,0,0,0|1,0,0]=3 31 B11R1.22 C[C@H](CO)C1=CC=C(F)C=C1 DY624193 [2,0,0,0,0,0|2,0,0]=4 32 B11R1.22 NCC(O)C1=CC=C(F)C=C1 DY746641 [2,0,0,0,0,0|1,0,0]=3 33 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 DY507920 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 DY433485 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.20 CC(C)OC1=CC=C(N)C=C1 NO10912 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 NO21002 [2,0,0,0,0,0|1,0,1]=4 37 B11R1.36 CC(C)C(O)C1=CC=NC=C1 DY531375 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.36 CC(C)C(O)c1ccccc1 DY822221 [2,0,0,0,0,0|1,0,0]=3 39 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 DY567369 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.36 CC(C)[C@H](O)C1=CC=CC=C1 DY625015 [2,0,0,0,0,0|1,0,0]=3 41 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 DY620130 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 NO15279 [2,0,0,0,0,0|1,0,1]=4 43 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 NO10862 [2,0,0,0,0,0|1,0,1]=4 44 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 NO10861 [2,0,0,0,0,0|1,0,1]=4 45 B11R1.40 CCC(N)CC1=CC=CC=C1 DY538887 [2,0,0,0,0,0|1,0,0]=3 46 B11R1.40 N#CC(N)CC1=CC=CC=C1 DY581085 [2,0,0,0,0,0|1,0,1]=4 47 B11R1.40 N#C[C@@H](N)CC1=CC=CC=C1 DY569337 [2,0,0,0,0,0|1,0,1]=4 48 B11R1.40 NCC(O)CC1=CC=CC=C1 DY745903 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 DY425862 [2,0,0,0,0,0|0,0,0]=2 50 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 NO21216 [2,0,0,0,0,0|0,0,0]=2 51 B13R1.17 NC1=CC=C(C(=O)NCCO)C=C1 DY746995 [1,1,0,0,0,0|0,0,2]=4 52 B13R1.1511 N[C@@H](CCO)C1=C(F)C=C(F)C=C1 DY625177 [1,1,0,0,0,0|2,0,0]=4 53 B13R1.263 CC(C)(CO)[C@H](N)C1=CC=CC=C1 DY115534 [1,1,0,0,0,0|2,0,0]=4 54 B13R1.133 Cc1ccc(CC(N)C(=O)O)cc1 DY555471 [1,1,0,0,0,0|1,0,1]=4 55 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O DY703045 [1,1,0,0,0,0|1,0,1]=4 56 B13R1.133 N[13C@@H]([13CH2][13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1)[13C](=O)O DY454737 [1,1,0,0,0,0|1,0,1]=4 57 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O NO10882 [1,1,0,0,0,0|1,0,1]=4 58 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O NO10886 [1,1,0,0,0,0|1,0,1]=4 59 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O NO22841 [1,1,0,0,0,0|1,0,1]=4 60 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O NO10887 [1,1,0,0,0,0|1,0,1]=4 61 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O NO19180 [1,1,0,0,0,0|1,0,1]=4 62 B13R1.133 N[C@@H](Cc1ccc(Cl)cc1)C(=O)O DY436856 [1,1,0,0,0,0|1,0,1]=4 63 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O NO10883 [1,1,0,0,0,0|1,0,1]=4 64 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O DY428053 [1,1,0,0,0,0|1,0,1]=4 65 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O NO19139 [1,1,0,0,0,0|1,0,1]=4 66 B13R1.133 Nc1ccc(C[C@H](N)C(=O)O)cc1 DY436187 [1,1,0,0,0,0|0,0,1]=3 67 B15R1.1333 N[C@@H](CO)[C@@H](O)C1=CC=C([N+](=O)[O-])C=C1 NO20104 [0,2,0,0,0,0|0,0,1]=3 68 B15R1.1333 N[C@H](CO)[C@H](O)C1=CC=C([N+](=O)[O-])C=C1 DY21060 [0,2,0,0,0,0|0,0,1]=3 69 B13R2.5179 NC1CCOC2=CC(Br)=CC=C21 DY680523 [1,0,0,1,0,0|2,0,0]=4 70 B13R2.5179 NC1CCOC2=CC(F)=CC=C21 DY680817 [1,0,0,1,0,0|2,0,0]=4 71 B13R2.5179 N[C@@H]1CCOC2=CC(F)=CC=C21 NO15089 [1,0,0,1,0,0|2,0,0]=4 72 B13R2.5179 N[C@H]1CCOC2=CC(F)=CC=C21 DY625501 [1,0,0,1,0,0|2,0,0]=4 73 B13R2.15 N[C@H]1CCC[C@@H]1C2=CC=CC=C2 DY620298 [1,0,0,1,0,0|2,0,0]=4 74 B13R2.32 O[C@H]1CCC2=CC=CC=C2[C@@H]1O DY765425 [1,0,0,1,0,0|2,0,0]=4 75 B13R2.148 CC1=CC=C(CC2(N)CC2)C=C1 DY605784 [1,0,0,1,0,0|2,0,0]=4 76 B13R2.3683 N[C@H]1CCC2=CC(F)=CC=C2C1 DY765155 [1,0,0,1,0,0|2,0,0]=4 77 B13R1.14 OCC(O)COC1=CC=C(Cl)C=C1 DY34150 [1,0,0,0,0,1|2,0,0]=4