0 B10R0.19 CCCCC(=O)C(=O)OCC PB13106 [1,0,0,0,0,0|1,0,1]=3 1 B12R1.16 CCOC(=O)C1CCC(=O)CO1 PB36315 [0,0,0,1,0,0|2,0,1]=4 2 B12R1.16 CCOC(=O)C1CCC(CO1)N PB37624 [0,0,0,1,0,0|2,0,0]=3 3 B12R1.16 CCOC(=O)C1CCC(CO1)O PB38135 [0,0,0,1,0,0|2,0,0]=3 4 B12R1.16 CCOC(=O)C1CCN(CC1)C AB03667 [0,0,0,1,0,0|1,0,0]=2 5 B12R1.16 CCOC(=O)N1CCC(=O)CC1 CB10038 [0,0,0,1,0,0|2,0,1]=4 6 B12R1.16 CCOC(=O)N1CCC(CC1)O MB00603 [0,0,0,1,0,0|2,0,0]=3 7 B12R1.16 CCOC(=O)[C@@H]1CC[C@H](CO1)N PB38851 [0,0,0,1,0,0|2,0,0]=3 8 B12R1.16 CCOC(=O)[C@H]1CC[C@@H](CO1)O PB38413 [0,0,0,1,0,0|2,0,0]=3 9 B12R1.16 CCOC(=O)[C@H]1CC[C@H](CO1)N PB38818 [0,0,0,1,0,0|2,0,0]=3 10 B12R1.16 CCOC(=O)[C@H]1CC[C@H](CO1)O PB37019 [0,0,0,1,0,0|2,0,0]=3 11 B12R1.308 CCOC(=O)C1C(=O)CCCN1 AB50141 [0,0,0,1,0,0|2,0,1]=4 12 B12R1.308 CCOC(=O)C1CCCNC1=O PB30527 [0,0,0,1,0,0|2,0,1]=4 13 B12R1.308 CCOC(=O)C1CNCCC1=O PB25923 [0,0,0,1,0,0|2,0,1]=4 14 B12R1.308 CCOC(=O)C1COCCC1=O AB69571 [0,0,0,1,0,0|2,0,1]=4 15 B12R1.308 CCOC(=O)[C@@H]1CC=CC[C@@H]1N AB49821 [0,0,0,1,0,0|1,0,2]=4 16 B12R1.308 CCOC(=O)[C@@H]1CC=CC[C@H]1N AB10343 [0,0,0,1,0,0|1,0,2]=4 17 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N AB03904 [0,0,0,1,0,0|1,0,0]=2 18 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N AB08707 [0,0,0,1,0,0|1,0,0]=2 19 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1N AB04133 [0,0,0,1,0,0|1,0,0]=2 20 B12R1.308 CCOC(=O)[C@H]1CC=CC[C@H]1N AB03906 [0,0,0,1,0,0|1,0,2]=4 21 B12R1.3395 CCOC(=O)C1(CCCC1)CN MB05703 [0,0,0,1,0,0|1,0,0]=2 22 B9R0.35 CCCC(=O)C(=O)OCC AB25061 [2,0,0,0,0,0|1,0,1]=4 23 B11R0.247 CCCCC(C(=O)OCC)(F)F MB08995 [1,1,0,0,0,0|1,0,0]=3 24 B11R1.15 CCOC(=O)C1CCN(C1)C AB65422 [1,0,0,1,0,0|1,0,0]=3 25 B11R1.16 CCOC(=O)C1CNCCN1 AB13833 [1,0,0,1,0,0|2,0,0]=4 26 B11R1.16 CCOC(=O)C1CSCCN1 AB03439 [1,0,0,1,0,0|2,0,0]=4 27 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 PB32324 [1,0,0,1,0,0|1,0,0]=3 28 B11R1.16 CCOC(=O)[C@H]1CCCNC1 PB24683 [1,0,0,1,0,0|1,0,0]=3 29 B11R1.199 CCOC(=O)C1C(CCN1)N AB50131 [1,0,0,1,0,0|2,0,0]=4 30 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N AB50600 [1,0,0,1,0,0|1,0,0]=3 31 B11R1.22 COC(=O)[C@@H]1CC[C@@H](CN1)O PB13872 [1,0,0,1,0,0|2,0,0]=4 32 B11R1.22 COC(=O)[C@H]1CC[C@@H](CC1)N PB17505 [1,0,0,1,0,0|1,0,0]=3 33 B11R1.22 COC(=O)[C@H]1CC[C@H](CC1)N PB31055 [1,0,0,1,0,0|1,0,0]=3 34 B11R1.22 C[C@@H]1CC[C@@H](CN1)C(=O)OC PB35041 [1,0,0,1,0,0|1,0,0]=3 35 B11R1.222 C[C@H]1[C@H](CCCN1)C(=O)OC AB19340 [1,0,0,1,0,0|1,0,0]=3 36 B11R1.852 COC(=O)C1CCCNCC1 PB28813 [1,0,0,1,0,0|1,0,0]=3 37 B13R1.19 CCOC(=O)CN1CCN(CC1)C AB09905 [0,0,0,1,0,1|2,0,0]=4 38 B13R1.463 CCOC(=O)C1CCOCCC1=O AB77314 [0,1,0,1,0,0|1,0,1]=4 39 B13R1.466 CCOC(=O)[C@@H]1CC[C@@H]([C@H](C1)N)O PB37306 [0,1,0,1,0,0|1,0,0]=3 40 B13R1.466 CCOC(=O)[C@@H]1CC[C@H]([C@H](C1)N)O PB38973 [0,1,0,1,0,0|1,0,0]=3 41 B13R1.466 CCOC(=O)[C@H]1CC[C@H]([C@@H](C1)N)O PB37498 [0,1,0,1,0,0|1,0,0]=3 42 B13R1.1512 CCOC(=O)C1CCC(CC1)(F)F PB20846 [0,1,0,1,0,0|1,0,0]=3 43 B13R1.452 CCOC(=O)N1CCC(CC1)C#N AB16708 [0,1,0,1,0,0|1,0,1]=4 44 B13R1.4472 CCOC(=O)C1(CCOCC1)C#N PB10816 [0,1,0,1,0,0|1,0,1]=4 45 B13R2.844 CCOC(=O)[C@@H]1CC[C@H]2[C@@H](C1)O2 PB35207 [0,0,0,2,0,0|1,0,0]=3 46 B13R2.844 CCOC(=O)[C@H]1CC[C@@H]2[C@H](C1)O2 PB30472 [0,0,0,2,0,0|1,0,0]=3 47 B13R2.14797 CCOC(=O)[C@@]12CN(CC1)CC2 MB06037 [0,0,0,2,0,0|1,0,0]=3 48 B13R2.856 CCOC(=O)C1C[C@H]2CCN1C2 MB08779 [0,0,0,2,0,0|1,0,0]=3 49 B13R2.856 CCOC(=O)[C@H]1C[C@H]2CC[C@@H]1N2 MB12292 [0,0,0,2,0,0|1,0,0]=3