0 B5R0.2 CCCCC=O DB01919 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.2 CCCCCN DB02045 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.2 CCOCCO DB02249 [0,0,0,0,0,0|2,1,0]=3 3 B5R0.2 COCCOC DB01749 [0,0,0,0,0,0|2,1,0]=3 4 B5R0.2 NCCCCN DB01917 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.2 OCCCCO DB01955 [0,0,0,0,0,0|4,0,0]=4 6 B5R0.2 [C-]#[N+]CCCC DB01826 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.2 [NH3+]CCCCO DB02541 [0,0,0,0,0,0|4,0,0]=4 8 B4R0.2 CCCCN DB03659 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.2 CCCCO DB02145 [1,0,0,0,0,0|1,1,0]=3 10 B4R0.2 COCCO DB02806 [1,0,0,0,0,0|1,1,0]=3 11 B4R0.2 OCCCO DB02774 [1,0,0,0,0,0|2,1,0]=4 12 B4R0.2 [C-]#[N+]CCC DB04050 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.2 [S-]SSS[S-] DB02956 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.1 CCNC(=O)OC DB03919 [0,1,0,0,0,0|2,1,0]=4 15 B6R0.1 CCOC(=O)NC DB02856 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.1 OC[C@@H](O)CSO DB01684 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.4 CCCCB(O)O DB02664 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.4 CCCCC(=O)O DB02406 [0,1,0,0,0,0|3,0,0]=4 19 B6R0.4 CCCOC(C)=O DB01670 [0,1,0,0,0,0|1,1,0]=3 20 B6R0.6 NCCCCCN DB03854 [0,1,0,0,0,0|3,0,0]=4 21 B6R1.1 C1CCOCC1 DB02412 [0,0,0,1,0,0|1,1,0]=3 22 B6R1.1 C1COCCO1 DB03316 [0,0,0,1,0,0|2,1,0]=4 23 B6R1.2 NC1=NCCS1 DB02335 [0,0,0,1,0,0|3,0,0]=4 24 B6R1.2 O=C1CCCO1 DB04699 [0,0,0,1,0,0|2,1,0]=4 25 B3R0.1 C#[N+]CC DB03399 [2,0,0,0,0,0|1,0,1]=4 26 B3R0.1 CCCO DB03175 [2,0,0,0,0,0|0,1,0]=3 27 B3R0.1 CCN=O DB02646 [2,0,0,0,0,0|1,1,0]=4 28 B3R0.1 CCNC DB02396 [2,0,0,0,0,0|1,0,0]=3 29 B3R0.1 ClCCCl DB03733 [2,0,0,0,0,0|2,0,0]=4 30 B3R0.1 NCCN DB14189 [2,0,0,0,0,0|2,0,0]=4 31 B3R0.1 NCCO DB03994 [2,0,0,0,0,0|1,1,0]=4 32 B3R0.1 OCCS DB03345 [2,0,0,0,0,0|1,0,0]=3 33 B5R0.1 CC(=O)CCO DB04094 [1,1,0,0,0,0|2,0,0]=4 34 B5R0.1 CC(C)CCO DB02296 [1,1,0,0,0,0|1,1,0]=4 35 B5R0.1 CC(O)CCO DB14110 [1,1,0,0,0,0|1,1,0]=4 36 B5R0.1 CCCC(=O)O DB03568 [1,1,0,0,0,0|1,1,0]=4 37 B5R0.1 CCCC(N)=O DB02121 [1,1,0,0,0,0|1,1,0]=4 38 B5R0.1 CCSC(=N)N DB02234 [1,1,0,0,0,0|2,0,0]=4 39 B5R0.1 CN(C)CCO DB13352 [1,1,0,0,0,0|2,0,0]=4 40 B5R0.1 CSCC(=O)[O-] DB03517 [1,1,0,0,0,0|1,0,1]=4 41 B5R0.1 CSC[S@](C)=O DB02311 [1,1,0,0,0,0|1,0,0]=3 42 B5R0.1 C[C@H](O)CCO DB02202 [1,1,0,0,0,0|1,1,0]=4 43 B5R0.3 OC[C@@H](O)CS DB03864 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.3 CCCCC(O)CO DB14108 [0,2,0,0,0,0|2,0,0]=4 45 B7R0.1 NCCCCCCN DB03260 [0,2,0,0,0,0|2,0,0]=4 46 B7R0.1 OCCCCCCBr DB04637 [0,2,0,0,0,0|2,0,0]=4 47 B7R0.1 OCCCCCCO DB02210 [0,2,0,0,0,0|2,0,0]=4 48 B7R0.1 OCCSSCCO DB02486 [0,2,0,0,0,0|1,0,0]=3 49 B7R1.1 NC[C@@H]1CCCN1 DB03253 [0,1,0,1,0,0|2,0,0]=4 50 B7R1.3 O=C1CCCCC1 DB02060 [0,1,0,1,0,0|2,0,0]=4 51 B7R1.3 OC1CCCCC1 DB03703 [0,1,0,1,0,0|2,0,0]=4 52 B7R1.3 [C@@H]1(N)CCC=NC1 DB04504 [0,1,0,1,0,0|2,0,0]=4 53 B7R1.3 [NH3+]C1CCCCC1 DB02995 [0,1,0,1,0,0|2,0,0]=4