0 B9R0.14 CCCC(=CC(=O)O)CC S361712 [1,0,0,0,0,0|1,0,2]=4 1 B9R0.14 CCCC(CC)NC(=O)N S502553 [1,0,0,0,0,0|3,0,0]=4 2 B9R0.53 CC(=O)SC(C)CC(=O)O S357278 [1,0,0,0,0,0|2,0,1]=4 3 B9R0.53 CC(C)C[C@@H](N)CC(=O)O CDS008875 [1,0,0,0,0,0|0,0,0]=1 4 B11R0.32 CC(=O)NC(CC(C)C)C(=O)N S782882 [0,1,0,0,0,0|2,0,1]=4 5 B11R0.32 [C@@H](CC(C)C)(NC(=O)C)C(=O)N S776254 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.157 CC1CCCN(C1)CC(=O)O CBR00247 [0,0,0,1,0,0|2,0,0]=3 7 B11R1.157 O=C(O)CC1CCCC(=O)C1 PH018197 [0,0,0,1,0,0|2,0,1]=4 8 B8R0.5 CCCC(N)CC(=O)O BBO000362 [2,0,0,0,0,0|0,0,0]=2 9 B8R0.16 CCC(CO)NC(C)C PH010632 [2,0,0,0,0,0|2,0,0]=4 10 B8R0.16 CCN(CC)CC(=O)O PH011958 [2,0,0,0,0,0|2,0,0]=4 11 B8R0.28 CC(=O)CCCC(C)C CDS000306 [2,0,0,0,0,0|1,0,0]=3 12 B8R0.28 CC(=O)CCCN(C)C PH014778 [2,0,0,0,0,0|2,0,0]=4 13 B8R0.28 CC(=O)CSCC(C)C EME00074 [2,0,0,0,0,0|2,0,0]=4 14 B8R0.28 CC(C)CCCC(=O)O CDS003381 [2,0,0,0,0,0|0,0,0]=2 15 B8R0.28 CC(C)COCC(=O)O CDS014100 [2,0,0,0,0,0|1,0,0]=3 16 B8R0.28 CC(C)NCCC(=O)N CDS021106 [2,0,0,0,0,0|2,0,0]=4 17 B10R0.31 CC(CC(=O)O)CC(C)(C)C S415006 [1,1,0,0,0,0|0,0,0]=2 18 B10R0.44 CC[C@@H](C)C[C@H](N)CC(=O)O PH001846 [1,1,0,0,0,0|0,0,0]=2 19 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [1,0,0,1,0,0|2,0,0]=4 20 B10R1.18 O=C(O)CC1CCCCN1 R409952 [1,0,0,1,0,0|2,0,0]=4 21 B10R1.18 O=C(O)CC1CCCNC1 PH010234 [1,0,0,1,0,0|0,0,0]=2 22 B10R1.18 O=C(O)CC1CCNCC1 CBR01414 [1,0,0,1,0,0|2,0,0]=4 23 B10R1.18 O=C(O)CC1CCNCC1 CDS007853 [1,0,0,1,0,0|2,0,0]=4 24 B10R1.18 O=C(O)CC1CCNCC1 CDS021798 [1,0,0,1,0,0|2,0,0]=4 25 B10R1.18 O=C(O)CC1CCOCC1 CDS006056 [1,0,0,1,0,0|2,0,0]=4 26 B10R1.18 O=C(O)CN1CCCCC1 CDS005123 [1,0,0,1,0,0|2,0,0]=4 27 B10R1.18 O=C(O)CN1CCCCC1 L481130 [1,0,0,1,0,0|2,0,0]=4 28 B10R1.39 CCN1CCC[C@H]1C(=O)O CBR01772 [1,0,0,1,0,0|2,0,0]=4 29 B10R1.54 CN1CCC(C1)CC(=O)O CBR02303 [1,0,0,1,0,0|2,0,0]=4 30 B10R1.64 CC(C)C[C@H]1CCC[C@H]1N PH018575 [1,0,0,1,0,0|1,0,1]=4 31 B10R1.64 CN1CCCC1CC(=O)O PH018759 [1,0,0,1,0,0|2,0,0]=4 32 B10R1.64 CN1CCC[C@H]1CC(=O)O PH018830 [1,0,0,1,0,0|2,0,0]=4 33 B10R1.329 CC1=CC(=O)OC(C1)(C)C S346292 [1,0,0,1,0,0|0,0,2]=4 34 B10R1.329 CC1CC(CC(C1)(C)C)O S419001 [1,0,0,1,0,0|1,0,1]=4 35 B10R1.113 CC(C)C1CCCC(=O)C1 S883786 [0,0,0,1,1,0|2,0,0]=4 36 B10R1.113 CC(C)[C@@H]1CCOC(=O)C1 T253251 [0,0,0,1,1,0|1,0,0]=3 37 B10R1.113 CN1CCCC(C1)C(=O)O CDS003577 [0,0,0,1,1,0|2,0,0]=4 38 B10R1.113 CN1CCCC(C1)C(=O)O CDS015858 [0,0,0,1,1,0|2,0,0]=4 39 B10R1.113 NC1CCCC(C1)C(=O)O CDS000338 [0,0,0,1,1,0|2,0,0]=4 40 B10R1.113 O=C(O)C1CNCC(C1)O CDS021813 [0,0,0,1,1,0|1,0,0]=3 41 B10R1.359 CC1(NC(CS1)C(=O)O)C S71006 [0,0,0,1,1,0|2,0,0]=4 42 B10R1.359 CC1(NC(CS1)C(=O)O)C S942316 [0,0,0,1,1,0|2,0,0]=4 43 B12R1.226 CN1CCCC(C1)CCC(=O)O CBR01268 [0,0,0,1,0,1|2,0,0]=4 44 B12R1.392 CC(C)CN1CCC[C@@H]1C(=O)O PH015820 [0,1,0,1,0,0|2,0,0]=4 45 B12R1.4126 CC1(CC(CC(C1)(C)CN)O)C R260460 [0,1,0,1,0,0|1,0,1]=4 46 B12R2.1145 O=C(O)[C@@H]1CC2CC1[C@@H](C2)O T309389 [0,0,0,2,0,0|1,0,0]=3 47 B12R2.1661 O=C(O)C[C@@H]1C[C@@H]2C=C[C@H]1C2 CDS008399 [0,0,0,2,0,0|1,0,1]=4 48 B8R0.23 C/C(=C\C(C)C)/C(=O)O CDS001260 [1,0,0,0,1,0|0,0,2]=4 49 B8R0.23 CC(=O)C(C)CC(=O)O CDS000200 [1,0,0,0,1,0|1,0,1]=4 50 B8R0.23 CC(C)CC(N)C(=O)N S788902 [1,0,0,0,1,0|1,0,0]=3 51 B8R0.23 CC(C)C[C@@H](O)C(=O)O CDS006369 [1,0,0,0,1,0|1,0,0]=3 52 B8R0.23 CC(C)C[C@H](N)C(=O)N CDS003478 [1,0,0,0,1,0|1,0,0]=3 53 B8R0.23 CC(C)NC(C)C(=O)O PH010417 [1,0,0,0,1,0|1,0,0]=3 54 B8R0.23 CC(C)OC(C)C(=O)O CBR00291 [1,0,0,0,1,0|1,0,0]=3 55 B8R0.23 CC(C)[C@@H](N)CC(=O)O CDS005723 [1,0,0,0,1,0|0,0,0]=2 56 B8R0.23 CC(C)[C@H](N)CC(=O)O CDS005722 [1,0,0,0,1,0|0,0,0]=2 57 B8R0.23 CC(CC(=O)O)N(C)C CBR00883 [1,0,0,0,1,0|1,0,0]=3 58 B8R0.23 CC(CN(C)C)C(=O)O CBR01551 [1,0,0,0,1,0|1,0,0]=3 59 B8R0.18 CCC(C(=O)C)C(C)C S373559 [0,0,0,0,2,0|2,0,0]=4 60 B10R0.96 CC(C)CC(=O)NCC(=O)O CDS000049 [1,0,0,0,0,1|1,0,1]=4 61 B10R0.84 CCC(CCC(C)C)C(=O)N PH008853 [0,0,0,0,1,1|2,0,0]=4