0 B8R1.22 C1CC(=O)CCNC1 PB26051 [1,0,0,0,0,0|2,0,1]=4 1 B8R1.22 C1CC(=O)CCOC1 AB76453 [1,0,0,0,0,0|2,0,1]=4 2 B8R1.22 C1CNCC(=O)NC1 AB30280 [1,0,0,0,0,0|2,0,1]=4 3 B8R1.22 C1CNCCNC1=O AB07054 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.5 CCOC(=O)CC(=O)O AB01280 [0,0,1,0,0,0|3,0,0]=4 5 B8R0.5 CCOC(=O)CC(=O)[O-] AB01563 [0,0,1,0,0,0|3,0,0]=4 6 B10R2.71 C1CC2CC(=O)CC1O2 PB37880 [0,0,0,1,0,0|1,0,2]=4 7 B10R2.71 C1C[C@H]2CC(=O)C[C@@H]1N2 PB18614 [0,0,0,1,0,0|2,0,1]=4 8 B8R1.4 C1C(=O)COCC1=O PB14653 [0,0,0,0,1,0|2,0,0]=3 9 B8R1.4 C1C(=O)CSCC1=O PB15832 [0,0,0,0,1,0|2,0,0]=3 10 B8R1.4 C1CC(=CC(=O)C1)I MB07038 [0,0,0,0,1,0|2,0,0]=3 11 B8R1.4 C1CNC(=O)CC1=O PB20308 [0,0,0,0,1,0|2,0,0]=3 12 B8R1.4 C1CNC(=O)OC1=O AB27597 [0,0,0,0,1,0|1,0,0]=2 13 B8R1.4 CN1CCCC(=O)C1 AB39316 [0,0,0,0,1,0|3,0,0]=4 14 B8R1.5 C1CCC(=O)C(C1)F MB01688 [0,0,0,0,1,0|1,0,1]=3 15 B8R1.5 C1CNCC(C1=O)F PB20587 [0,0,0,0,1,0|2,0,1]=4 16 B8R1.5 C1COCC(C1=O)Br PB18064 [0,0,0,0,1,0|2,0,1]=4 17 B8R1.5 C1COCC(C1=O)F PB28362 [0,0,0,0,1,0|2,0,1]=4 18 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [0,0,0,0,1,0|2,0,1]=4 19 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [0,0,0,0,1,0|2,0,1]=4 20 B8R1.5 CC1CCNCC1=O PB36769 [0,0,0,0,1,0|2,0,1]=4 21 B8R1.5 CC1CNCCC1=O PB23474 [0,0,0,0,1,0|2,0,1]=4 22 B8R1.5 CC1COCCC1=O PB26907 [0,0,0,0,1,0|2,0,1]=4 23 B8R1.5 CN1CCNCC1=O PB24934 [0,0,0,0,1,0|3,0,0]=4 24 B7R0.3 COC(=O)CCCO AB65249 [1,0,1,0,0,0|1,0,1]=4 25 B9R1.69 C1CC(=O)NC(=O)C1N PB14928 [0,1,0,0,1,0|1,0,0]=3 26 B9R1.15 CCC1CCCCC1=O AB02693 [0,1,0,0,1,0|1,0,1]=4 27 B9R1.137 CC(C)OC(=O)C1CC1 AB21119 [0,0,1,1,0,0|1,0,1]=4 28 B9R1.6 C1CC(COC1)C(=O)O PB24847 [0,0,1,1,0,0|2,0,0]=4 29 B9R1.6 C1CC(CSC1)C(=O)O PB33209 [0,0,1,1,0,0|2,0,0]=4 30 B9R1.6 C1CCN[C@@H](C1)C(=O)O AB00554 [0,0,1,1,0,0|1,0,1]=4 31 B9R1.6 C1CCN[C@H](C1)C(=O)O AB07110 [0,0,1,1,0,0|1,0,1]=4 32 B9R1.6 C1C[C@@H](CC=C1)C(=O)O PB18863 [0,0,1,1,0,0|1,0,1]=4 33 B9R1.6 C1C[C@@H](CNC1)C(=O)O PB29158 [0,0,1,1,0,0|2,0,0]=4 34 B9R1.6 C1C[C@H](CC=C1)C(=O)O PB29511 [0,0,1,1,0,0|1,0,1]=4 35 B9R1.6 C1C[C@H](CNC1)C(=O)O PB30681 [0,0,1,1,0,0|2,0,0]=4 36 B9R1.96 C1CN([C@@H]1C(=O)O)N=O MB03151 [0,0,1,1,0,0|2,0,0]=4 37 B7R0.5 CCOC(=O)C(=O)N AB00911 [0,0,1,0,1,0|2,0,0]=4 38 B7R1.3 C1CC(=O)CNC1 AB27650 [1,0,0,0,1,0|1,0,1]=4 39 B7R1.3 C1CC(=O)CNC1 PB26241 [1,0,0,0,1,0|1,0,1]=4 40 B7R1.3 C1CC(=O)COC1 PB27461 [1,0,0,0,1,0|1,0,1]=4 41 B7R1.3 C1CC(=O)CSC1 PB28980 [1,0,0,0,1,0|1,0,1]=4 42 B7R1.3 C1CCO[C@@H](C1)N MB06981 [1,0,0,0,1,0|1,0,1]=4 43 B7R1.3 C1CCO[C@H](C1)N MB06978 [1,0,0,0,1,0|1,0,1]=4 44 B7R1.3 C1CNC(=O)CN1 PB23229 [1,0,0,0,1,0|2,0,0]=4 45 B7R1.3 C1CNCCC1=O PB32095 [1,0,0,0,1,0|1,0,1]=4 46 B7R1.3 C1COC(=O)CN1 AB71646 [1,0,0,0,1,0|1,0,0]=3 47 B7R1.3 C1COCC(=O)N1 PB29100 [1,0,0,0,1,0|2,0,0]=4 48 B7R1.3 C1COCC=C1I AB69543 [1,0,0,0,1,0|2,0,0]=4 49 B7R1.3 C1COCCC1=O PB24536 [1,0,0,0,1,0|1,0,1]=4 50 B7R1.3 C1CSCCC1=O PB25896 [1,0,0,0,1,0|1,0,1]=4