0 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O DB02556 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.43 N\C(=C/C1=CC=CC=C1)C(=O)O DB04584 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 DB03884 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.43 [C@@H](C)(O)[C@@H](N)CC1=CC=CC=C1 DB08428 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.43 [C@H](C)(CC1=CC=CC=C1)C(=O)O DB07673 [0,0,0,0,0,0|1,0,1]=2 5 B12R1.43 [C@H](N)(CC1=CC=CC=C1)B(O)O DB07411 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O DB04029 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(O)O DB07910 [0,0,0,0,0,0|1,0,3]=4 8 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(=O)O DB02494 [0,0,0,0,0,0|0,0,2]=2 9 B11R1.40 NOC(=O)NC1=CC=CC=C1 DB04157 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 DB04484 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 DB02803 [1,0,0,0,0,0|0,0,3]=4 12 B11R1.91 O=C(O)CCC1=CC=CC=C1 DB02024 [1,0,0,0,0,0|0,0,1]=2 13 B11R1.91 OB(O)CCC1=CC=CC=C1 DB01963 [1,0,0,0,0,0|1,0,2]=4 14 B13R1.133 C(C1=CC=C([O-])C=C1)=C(/F)C(=O)O DB02384 [0,1,0,0,0,0|1,0,1]=3 15 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O DB03839 [0,1,0,0,0,0|1,0,1]=3 16 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 DB07718 [0,1,0,0,0,0|0,0,0]=1 17 B13R1.133 [C@@H](N)(CC1=CC=C(I)C=C1)C(=O)O DB04713 [0,1,0,0,0,0|1,0,1]=3 18 B13R1.133 [C@H](N)(CC1=CC=C(I)C=C1)C(=O)O DB03660 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.133 [C@H](N)(CC1=CC=C(O)C=C1)C(N)=O DB03380 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.133 [C@H](S)(CC1=CC=C(I)C=C1)C(=O)O DB02570 [0,1,0,0,0,0|0,1,1]=3 21 B13R1.135 [C@H](N)(CC1=CC=CC=C1)C(=O)CCl DB08374 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.135 [C@H](N)(CC1=CC=CC=C1)C(=O)OC DB06838 [0,1,0,0,0,0|1,0,1]=3 23 B13R1.148 CC1=CC=CC(C[C@H](N)C(=O)O)=C1 DB02685 [0,1,0,0,0,0|1,0,1]=3 24 B13R1.148 N[C@@H](CC1=CC=CC(O)=C1)C(=O)O DB03552 [0,1,0,0,0,0|1,0,1]=3 25 B13R1.202 [C@@H](C)(CC1=CC=CC=C1O)C(=O)O DB01662 [0,1,0,0,0,0|1,0,1]=3 26 B13R1.418 [C@@H](CI)(CC1=CC=CC=C1)C(=O)O DB03441 [0,1,0,0,0,0|1,0,1]=3 27 B13R1.418 [C@H](CS)(CC1=CC=CC=C1)C(=O)O DB02953 [0,1,0,0,0,0|0,1,1]=3 28 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 DB03028 [0,0,0,1,0,0|2,0,0]=3 29 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O DB03673 [0,0,0,0,1,0|2,0,1]=4 30 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 DB02279 [0,0,0,0,1,0|0,0,0]=1 31 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 DB03357 [0,0,0,0,1,0|0,0,2]=3 32 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 DB02280 [0,0,0,0,1,0|0,0,2]=3 33 B13R1.351 [C@H](N)(CCC1=CC=CC=C1)C(C)=O DB07913 [0,0,0,0,0,1|2,0,1]=4 34 B10R1.17 O=CNCC1=CC=CC=C1 DB02481 [2,0,0,0,0,0|1,0,0]=3 35 B10R1.17 O=COCC1=CC=CC=C1 DB04569 [2,0,0,0,0,0|1,0,0]=3 36 B10R1.17 O=C\C=C\C1=CC=CC=C1 DB14184 [2,0,0,0,0,0|0,0,1]=3 37 B10R1.17 OC\C=C\C1=CC=CC=C1 DB14186 [2,0,0,0,0,0|0,0,2]=4 38 B12R1.34 [C@H](C)(C1=CC=CC=C1)N(C)C=O DB04379 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.49 [C@@H](N)(C=O)CC1=CC=C(O)C=C1 DB03978 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 DB03400 [1,1,0,0,0,0|0,0,1]=3 41 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 DB03210 [1,1,0,0,0,0|0,0,1]=3 42 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 DB03897 [1,1,0,0,0,0|0,0,1]=3 43 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 DB04066 [1,1,0,0,0,0|0,0,1]=3 44 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O DB01650 [1,1,0,0,0,0|0,0,1]=3 45 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 DB02601 [0,1,0,0,1,0|1,0,1]=4 46 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 DB04291 [0,1,0,0,1,0|1,0,1]=4 47 B12R1.20 [C@@H](O)(C(=O)O)C1=CC=C(O)C=C1 DB07896 [0,1,0,0,1,0|0,0,2]=4 48 B12R1.20 [C@H](N)(C(=O)O)C1=CC=C(O)C=C1 DB04308 [0,1,0,0,1,0|1,0,1]=4 49 B12R1.253 C[C@@](O)(C(=O)O)C1=CC=CC=C1 DB07381 [0,1,0,0,1,0|0,0,2]=4 50 B14R1.161 O=C(O)C(=O)\C=C\C1=CC=CC=C1O DB08636 [0,1,0,0,0,1|0,0,1]=3 51 B14R1.3 NCC1=CC=C(NC(=O)C(=O)O)C=C1 DB02420 [0,2,0,0,0,0|1,0,0]=3 52 B14R1.132 [C@@H](O)(C(=O)O)[C@@H](O)C1=CC=C(F)C=C1 DB06946 [0,2,0,0,0,0|0,0,2]=4 53 B14R1.134 [C@@H](N)(CC1=CC=C(I)C=C1)C(=O)NO DB01980 [0,2,0,0,0,0|1,0,1]=4 54 B14R1.686 N=C(/CC1=CC(O)=C(O)C=C1)C(=O)O DB07979 [0,2,0,0,0,0|1,0,0]=3 55 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O DB04436 [0,2,0,0,0,0|1,0,1]=4 56 B14R1.686 N[C@@H](CC1=CC=C(O)C(I)=C1)C(=O)O DB01758 [0,2,0,0,0,0|1,0,1]=4 57 B12R2.18 O=C1NC2=CC=CC=C2C1=O DB02095 [1,0,0,1,0,0|1,0,0]=3 58 B12R2.24 O=C1C=CC2=CC=CC=C2N1 DB04745 [1,0,0,1,0,0|2,0,0]=4 59 B12R2.24 O=C1C=CC2=CC=CC=C2O1 DB04665 [1,0,0,1,0,0|2,0,0]=4 60 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)C=C1 DB02428 [0,0,0,1,0,1|1,0,1]=4 61 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [1,0,0,0,1,0|1,0,0]=3 62 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O DB04531 [0,0,0,0,0,2|1,0,1]=4 63 B14R1.6449 O=C(O)C(=O)CCCC1=CC=CC=C1 DB08050 [0,0,0,0,0,2|0,0,0]=2