0 B6R0.6 NCCCCCN DB03854 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.2 CCCCC=O DB01919 [1,0,0,0,0,0|1,0,2]=4 2 B5R0.2 CCCCCN DB02045 [1,0,0,0,0,0|2,0,0]=3 3 B5R0.2 CCOCCO DB02249 [1,0,0,0,0,0|1,0,0]=2 4 B5R0.2 NCCCCN DB01917 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.2 OCCCCO DB01955 [1,0,0,0,0,0|0,0,0]=1 6 B5R0.2 [C-]#[N+]CCCC DB01826 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.2 [NH3+]CCCCO DB02541 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.1 NCCCCCCN DB03260 [0,1,0,0,0,0|3,0,0]=4 9 B7R0.1 OCCCCCCBr DB04637 [0,1,0,0,0,0|2,0,0]=3 10 B7R0.1 OCCCCCCO DB02210 [0,1,0,0,0,0|1,0,0]=2 11 B7R0.1 OCCSSCCO DB02486 [0,1,0,0,0,0|1,0,0]=2 12 B7R0.3 CCCCC(O)CO DB14108 [0,1,0,0,0,0|2,0,0]=3 13 B7R0.4 O=C(O)CCCCO DB04781 [0,1,0,0,0,0|1,0,1]=3 14 B7R0.4 [NH3+]CCCCC(=O)O DB02068 [0,1,0,0,0,0|2,0,1]=4 15 B7R0.7 CN(CCCl)CCCl DB00888 [0,1,0,0,0,0|2,0,0]=3 16 B7R1.1 NC[C@@H]1CCCN1 DB03253 [0,0,0,1,0,0|2,0,0]=3 17 B7R1.3 NC1CCCCC1 DB04996 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.3 OC1CCCCC1 DB03703 [0,0,0,1,0,0|2,0,0]=3 19 B7R1.3 [NH3+]C1CCCCC1 DB02995 [0,0,0,1,0,0|3,0,0]=4 20 B4R0.2 CCCCN DB03659 [2,0,0,0,0,0|1,0,0]=3 21 B4R0.2 CCCCO DB02145 [2,0,0,0,0,0|0,0,0]=2 22 B4R0.2 COCCO DB02806 [2,0,0,0,0,0|1,0,0]=3 23 B4R0.2 OCCCO DB02774 [2,0,0,0,0,0|0,0,0]=2 24 B4R0.2 [C-]#[N+]CCC DB04050 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.1 OC[C@@H](O)CSO DB01684 [1,1,0,0,0,0|1,0,0]=3 26 B6R0.4 CCCCB(O)O DB02664 [1,1,0,0,0,0|2,0,0]=4 27 B6R0.4 CCCCC(=O)O DB02406 [1,1,0,0,0,0|1,0,1]=4 28 B6R0.4 NCCCC(=O)O DB02530 [1,1,0,0,0,0|1,0,1]=4 29 B6R0.4 O=C([O-])CCCO DB01440 [1,1,0,0,0,0|0,0,2]=4 30 B6R0.4 O=C([O-])CCCO DB09072 [1,1,0,0,0,0|0,0,2]=4 31 B8R0.4 CCCCCCCCO DB12452 [0,2,0,0,0,0|2,0,0]=4 32 B8R0.4 COCCOCCOC DB02935 [0,2,0,0,0,0|1,0,0]=3 33 B8R0.6 C=C[C@@H](O)CCCCC DB03025 [0,2,0,0,0,0|2,0,0]=4 34 B8R0.7 CCCCCCC(=O)O DB02938 [0,2,0,0,0,0|2,0,0]=4 35 B8R0.7 NCCCCCC(=O)O DB00513 [0,2,0,0,0,0|2,0,0]=4 36 B8R0.8 N[C@@H](CCCO)C(=O)O DB03105 [0,2,0,0,0,0|1,0,1]=4 37 B6R1.1 C1CCOCC1 DB02412 [1,0,0,1,0,0|1,0,0]=3 38 B6R1.1 C1CNCCN1 DB00592 [1,0,0,1,0,0|1,0,0]=3 39 B6R1.1 C1COCCO1 DB03316 [1,0,0,1,0,0|1,0,0]=3 40 B6R1.2 O=C1CCCO1 DB04699 [1,0,0,1,0,0|0,0,2]=4 41 B6R1.2 OB1OCCO1 DB04369 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.5 O[C@H]1CSSC[C@@H]1O DB01822 [0,1,0,1,0,0|1,0,0]=3 43 B8R1.5 [C@@H]1(O)CSSC[C@H]1O DB02693 [0,1,0,1,0,0|1,0,0]=3 44 B8R1.7 O=C(O)[C@@H]1CCCN1 DB00172 [0,1,0,1,0,0|1,0,1]=4 45 B8R1.7 O=C(O)[C@H]1CCCN1 DB02853 [0,1,0,1,0,0|1,0,1]=4 46 B8R1.7 O=C(O)[C@H]1CCCO1 DB03051 [0,1,0,1,0,0|1,0,1]=4