0 B7R0.1 NCCCCCCN DB03260 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 OCCCCCCBr DB04637 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.1 OCCCCCCO DB02210 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.6 NCCCCCN DB03854 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.6 O=CCCCC=O DB03266 [1,0,0,0,0,0|1,0,1]=3 5 B8R0.4 COCCOCCOC DB02935 [0,1,0,0,0,0|3,0,0]=4 6 B8R0.6 C=C[C@@H](O)CCCCC DB03025 [0,1,0,0,0,0|1,0,0]=2 7 B8R0.7 CCCCCCC(=O)O DB02938 [0,1,0,0,0,0|0,0,0]=1 8 B8R0.7 CCCCCCC(N)=O DB02641 [0,1,0,0,0,0|0,0,0]=1 9 B8R0.7 N=C(N)NCCCCN DB08838 [0,1,0,0,0,0|3,0,0]=4 10 B8R1.2 O=CN1CCCCC1 DB04113 [0,0,0,1,0,0|1,0,0]=2 11 B8R1.2 [NH3+]CC1CCCCC1 DB02435 [0,0,0,1,0,0|1,0,1]=3 12 B5R0.2 CCCCC=O DB01919 [2,0,0,0,0,0|0,0,0]=2 13 B5R0.2 CCCCCN DB02045 [2,0,0,0,0,0|1,0,0]=3 14 B5R0.2 CCOCCO DB02249 [2,0,0,0,0,0|1,0,1]=4 15 B5R0.2 COCCOC DB01749 [2,0,0,0,0,0|2,0,0]=4 16 B5R0.2 NCCCCN DB01917 [2,0,0,0,0,0|2,0,0]=4 17 B5R0.2 OCCCCO DB01955 [2,0,0,0,0,0|1,0,1]=4 18 B5R0.2 [C-]#[N+]CCCC DB01826 [2,0,0,0,0,0|1,0,1]=4 19 B5R0.2 [NH3+]CCCCO DB02541 [2,0,0,0,0,0|1,0,1]=4 20 B7R0.3 CCCCC(O)CO DB14108 [1,1,0,0,0,0|0,0,1]=3 21 B7R0.3 [C@@H](N)(C=O)CCCC DB03241 [1,1,0,0,0,0|0,0,0]=2 22 B7R0.4 O=C(O)CCCCO DB04781 [1,1,0,0,0,0|1,0,0]=3 23 B7R0.4 [NH3+]CCCCC(=O)O DB02068 [1,1,0,0,0,0|1,0,0]=3 24 B9R0.5 CCCCC[C@H](C)NC=O DB03061 [0,2,0,0,0,0|0,0,0]=2 25 B9R0.5 O=CCCSC(=O)CC[S-] DB04749 [0,2,0,0,0,0|1,0,1]=4 26 B9R0.8 [C@@H](O)(CO)[C@H](O)CCCC DB04079 [0,2,0,0,0,0|0,0,2]=4 27 B9R0.2 CCCCCCCC(=O)O DB04519 [0,2,0,0,0,0|0,0,0]=2 28 B9R0.45 CCCCCCCCCO DB03143 [0,2,0,0,0,0|0,0,2]=4 29 B9R0.45 CCCCCCCNC=O DB04105 [0,2,0,0,0,0|0,0,0]=2 30 B9R0.45 CCOCCOCCOC DB03508 [0,2,0,0,0,0|2,0,0]=4 31 B9R0.45 NCCCCCCCCN DB04333 [0,2,0,0,0,0|1,0,1]=4 32 B9R0.45 NCCCCNCCCN DB03566 [0,2,0,0,0,0|1,0,1]=4 33 B9R0.46 [C@@H](N)(C=O)CSSCCC DB03654 [0,2,0,0,0,0|1,0,0]=3 34 B9R0.47 NC(=O)[C@@H](N)CCCC[NH3+] DB03988 [0,2,0,0,0,0|1,0,0]=3 35 B9R0.47 NCCCC[C@@H](N)C(=O)O DB03252 [0,2,0,0,0,0|1,0,0]=3 36 B9R0.47 N[C@@H](CCCC=O)C(=O)O DB02571 [0,2,0,0,0,0|1,0,1]=4 37 B9R0.47 N[C@@H](CCCCO)C(=O)O DB03412 [0,2,0,0,0,0|1,0,0]=3 38 B9R0.47 N[C@@H](CSCCO)C(=O)O DB02413 [0,2,0,0,0,0|2,0,0]=4 39 B9R0.47 [C@@H](N)(CCCCO)C(=O)O DB02233 [0,2,0,0,0,0|1,0,0]=3 40 B7R1.1 NC[C@@H]1CCCN1 DB03253 [1,0,0,1,0,0|2,0,0]=4 41 B7R1.3 O=C1CCCCC1 DB02060 [1,0,0,1,0,0|0,0,0]=2 42 B7R1.3 OC1CCCCC1 DB03703 [1,0,0,1,0,0|0,0,1]=3 43 B7R1.3 [NH3+]C1CCCCC1 DB02995 [1,0,0,1,0,0|1,0,0]=3 44 B7R1.4 N[C@@H]1CCOC1=O DB02624 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.8 O=CNC1CCCCC1 DB03559 [0,1,0,1,0,0|0,0,0]=2 46 B9R1.27 CCN1C(=O)CCC1=O DB01902 [0,1,0,1,0,0|1,0,1]=4 47 B9R2.39 [C@H]12CC[C@H](C1)C(=O)C2 DB03540 [0,0,0,2,0,0|0,0,0]=2