0 B8R1.4 C[C@H]1CC=CC(=O)O1 DB14121 [0,0,0,0,0,0|1,0,2]=3 1 B8R1.4 O=C1CCNC(=O)N1 DB01849 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.3 O=C1CCCCC1 DB02060 [1,0,0,0,0,0|0,0,0]=1 3 B7R1.3 OC1CCCCC1 DB03703 [1,0,0,0,0,0|0,0,2]=3 4 B7R1.3 [C@@H]1(N)CCC=NC1 DB04504 [1,0,0,0,0,0|2,0,1]=4 5 B7R1.3 [NH3+]C1CCCCC1 DB02995 [1,0,0,0,0,0|1,0,1]=3 6 B9R1.69 [C@H]1(O)CC[C@H](O)O[C@@H]1C DB03872 [0,1,0,0,0,0|1,0,2]=4 7 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [0,0,1,0,0,0|3,0,0]=4 8 B7R0.4 O=C(O)CCCCO DB04781 [0,0,1,0,0,0|2,0,0]=3 9 B7R0.4 [NH3+]CCCCC(=O)O DB02068 [0,0,1,0,0,0|2,0,0]=3 10 B7R0.7 CCO[PH](=O)OCC DB02811 [0,0,1,0,0,0|3,0,0]=4 11 B9R2.39 [C@H]12CC[C@H](C1)C(=O)C2 DB03540 [0,0,0,1,0,0|0,0,0]=1 12 B7R1.4 N[C@@H]1CCOC1=O DB02624 [0,0,0,0,1,0|2,0,0]=3 13 B6R0.1 CCNC(=O)OC DB03919 [1,0,1,0,0,0|2,0,0]=4 14 B6R0.1 CCOC(=O)NC DB02856 [1,0,1,0,0,0|2,0,0]=4 15 B6R0.2 CC(C)CC(=O)O DB03750 [1,0,1,0,0,0|1,0,0]=3 16 B6R0.2 CC(C)C[C@@H](C)N DB02107 [1,0,1,0,0,0|1,0,1]=4 17 B6R0.2 CN(C)CC(=O)O DB02083 [1,0,1,0,0,0|2,0,0]=4 18 B6R0.4 CCCCC(=O)O DB02406 [1,0,1,0,0,0|1,0,0]=3 19 B6R0.4 CCCOC(C)=O DB01670 [1,0,1,0,0,0|1,0,0]=3 20 B6R0.6 O=CCCCC=O DB03266 [1,0,1,0,0,0|1,0,1]=4 21 B6R1.1 C1CCOCC1 DB02412 [2,0,0,0,0,0|1,0,0]=3 22 B6R1.1 C1COCCO1 DB03316 [2,0,0,0,0,0|2,0,0]=4 23 B8R0.2 CC(C)[C@@H](N)C(=O)NO DB02697 [0,1,1,0,0,0|2,0,0]=4 24 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O DB01739 [0,1,1,0,0,0|1,0,0]=3 25 B8R0.23 CC(C)CC(=O)C(=O)O DB03229 [0,1,1,0,0,0|1,0,1]=4 26 B8R0.7 CCCCCCC(=O)O DB02938 [0,1,1,0,0,0|1,0,0]=3 27 B8R0.7 CCCCCCC(N)=O DB02641 [0,1,1,0,0,0|1,0,0]=3 28 B8R0.8 CCCC[C@@H](N)C(=O)O DB04419 [0,1,1,0,0,0|1,0,0]=3 29 B8R0.8 CSCCC(N)C(=O)O DB13972 [0,1,1,0,0,0|2,0,0]=4 30 B8R0.8 CSCC[C@@H](N)C(=O)O DB02893 [0,1,1,0,0,0|2,0,0]=4 31 B8R0.8 N[C@@H](CCCO)C(=O)O DB03105 [0,1,1,0,0,0|2,0,0]=4 32 B8R0.9 [C@@H](N)(CC)CCC(=O)O DB04235 [0,1,1,0,0,0|1,0,0]=3 33 B8R1.2 O=CN1CCCCC1 DB04113 [1,1,0,0,0,0|1,0,0]=3 34 B8R1.2 [NH3+]CC1CCCCC1 DB02435 [1,1,0,0,0,0|0,0,1]=3 35 B10R1.113 CC(=O)N1CCC[C@@H](C)C1 DB01742 [0,2,0,0,0,0|1,0,0]=3 36 B8R1.7 O=C(O)[C@H]1CCCN1 DB02853 [0,0,1,1,0,0|2,0,0]=4 37 B8R1.7 O=C(O)[C@H]1CCCO1 DB03051 [0,0,1,1,0,0|2,0,0]=4 38 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,0,1,0,1,0|1,0,0]=3 39 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,0,1,0,1,0|2,0,0]=4 40 B6R0.3 C[C@H](CN)C(=O)[O-] DB03432 [0,0,1,0,1,0|2,0,0]=4 41 B6R1.2 O=C1CCCO1 DB04699 [1,0,0,0,1,0|1,0,0]=3