0 B7R0.1 CCCCCON=O DB01612 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.1 NCCCCCCN DB03260 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 OCCCCCCBr DB04637 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.1 OCCCCCCO DB02210 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.6 NCCCCCN DB03854 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.6 O=CCCCC=O DB03266 [1,0,0,0,0,0|1,0,1]=3 6 B8R0.4 CCCCCCCCO DB12452 [0,1,0,0,0,0|0,0,2]=3 7 B8R0.4 COCCOCCOC DB02935 [0,1,0,0,0,0|3,0,0]=4 8 B8R0.6 C=C[C@@H](O)CCCCC DB03025 [0,1,0,0,0,0|1,0,0]=2 9 B8R0.7 CCCCCCC(=O)O DB02938 [0,1,0,0,0,0|0,0,0]=1 10 B8R0.7 CCCCCCC(N)=O DB02641 [0,1,0,0,0,0|0,0,0]=1 11 B8R0.7 N=C(N)NCCCCN DB08838 [0,1,0,0,0,0|3,0,0]=4 12 B8R0.7 NCCCCCC(=O)O DB00513 [0,1,0,0,0,0|1,0,0]=2 13 B8R1.2 O=CN1CCCCC1 DB04113 [0,0,0,1,0,0|1,0,0]=2 14 B8R1.2 [NH3+]CC1CCCCC1 DB02435 [0,0,0,1,0,0|1,0,1]=3 15 B5R0.2 CCCCC=O DB01919 [2,0,0,0,0,0|0,0,0]=2 16 B5R0.2 CCCCCN DB02045 [2,0,0,0,0,0|1,0,0]=3 17 B5R0.2 CCOCCO DB02249 [2,0,0,0,0,0|1,0,1]=4 18 B5R0.2 COCCOC DB01749 [2,0,0,0,0,0|2,0,0]=4 19 B5R0.2 NCCCCN DB01917 [2,0,0,0,0,0|2,0,0]=4 20 B5R0.2 OCCCCO DB01955 [2,0,0,0,0,0|1,0,1]=4 21 B5R0.2 [C-]#[N+]CCCC DB01826 [2,0,0,0,0,0|1,0,1]=4 22 B5R0.2 [NH3+]CCCCO DB02541 [2,0,0,0,0,0|1,0,1]=4 23 B7R0.3 CCCCC(O)CO DB14108 [1,1,0,0,0,0|0,0,1]=3 24 B7R0.3 [C@@H](N)(C=O)CCCC DB03241 [1,1,0,0,0,0|0,0,0]=2 25 B7R0.4 O=C(O)CCCCO DB04781 [1,1,0,0,0,0|1,0,0]=3 26 B7R0.4 [NH3+]CCCCC(=O)O DB02068 [1,1,0,0,0,0|1,0,0]=3 27 B9R0.5 CCCCC[C@H](C)NC=O DB03061 [0,2,0,0,0,0|0,0,0]=2 28 B9R0.5 O=CCCSC(=O)CC[S-] DB04749 [0,2,0,0,0,0|1,0,1]=4 29 B9R0.8 [C@@H](O)(CO)[C@H](O)CCCC DB04079 [0,2,0,0,0,0|0,0,2]=4 30 B9R0.2 CCCCCCCC(=O)O DB04519 [0,2,0,0,0,0|0,0,0]=2 31 B9R0.45 CCCCCCCCCO DB03143 [0,2,0,0,0,0|0,0,2]=4 32 B9R0.45 CCCCCCCNC=O DB04105 [0,2,0,0,0,0|0,0,0]=2 33 B9R0.45 CCOCCOCCOC DB03508 [0,2,0,0,0,0|2,0,0]=4 34 B9R0.45 NCCCCCCCCN DB04333 [0,2,0,0,0,0|1,0,1]=4 35 B9R0.45 NCCCCNCCCN DB03566 [0,2,0,0,0,0|1,0,1]=4 36 B9R0.46 CCCCCCC(C)NN DB09249 [0,2,0,0,0,0|1,0,1]=4 37 B9R0.46 [C@@H](N)(C=O)CSSCCC DB03654 [0,2,0,0,0,0|1,0,0]=3 38 B9R0.47 NC(=O)[C@@H](N)CCCC[NH3+] DB03988 [0,2,0,0,0,0|1,0,0]=3 39 B9R0.47 NCCCC[C@@H](N)C(=O)O DB03252 [0,2,0,0,0,0|1,0,0]=3 40 B9R0.47 NCCCC[C@H](N)C(=O)O DB00123 [0,2,0,0,0,0|1,0,0]=3 41 B9R0.47 N[C@@H](CCCC=O)C(=O)O DB02571 [0,2,0,0,0,0|1,0,1]=4 42 B9R0.47 N[C@@H](CCCCO)C(=O)O DB03412 [0,2,0,0,0,0|1,0,0]=3 43 B9R0.47 N[C@@H](CSCCO)C(=O)O DB02413 [0,2,0,0,0,0|2,0,0]=4 44 B9R0.47 [C@@H](N)(CCCCO)C(=O)O DB02233 [0,2,0,0,0,0|1,0,0]=3 45 B7R1.1 NC[C@@H]1CCCN1 DB03253 [1,0,0,1,0,0|2,0,0]=4 46 B7R1.3 NC1CCCCC1 DB04996 [1,0,0,1,0,0|1,0,0]=3 47 B7R1.3 O=C1CCCCC1 DB02060 [1,0,0,1,0,0|0,0,0]=2 48 B7R1.3 OC1CCCCC1 DB03703 [1,0,0,1,0,0|0,0,1]=3 49 B7R1.3 [NH3+]C1CCCCC1 DB02995 [1,0,0,1,0,0|1,0,0]=3 50 B7R1.4 CN1CCCC1=O DB12521 [1,0,0,1,0,0|1,0,0]=3 51 B7R1.4 N[C@@H]1CCOC1=O DB02624 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.8 O=CNC1CCCCC1 DB03559 [0,1,0,1,0,0|0,0,0]=2 53 B9R1.27 CCN1C(=O)CCC1=O DB01902 [0,1,0,1,0,0|1,0,1]=4 54 B9R2.39 [C@H]12CC[C@H](C1)C(=O)C2 DB03540 [0,0,0,2,0,0|0,0,0]=2