0 B5R0.2 CCCCC=O DB01919 [0,0,0,0,0,0|1,0,0]=1 1 B5R0.2 CCCCCN DB02045 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.2 CCOCCO DB02249 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.2 COCCOC DB01749 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.2 NCCCCN DB01917 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.2 OCCCCO DB01955 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.2 [C-]#[N+]CCCC DB01826 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.2 [NH3+]CCCCO DB02541 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.2 CCCCN DB03659 [1,0,0,0,0,0|1,0,1]=3 9 B4R0.2 CCCCO DB02145 [1,0,0,0,0,0|0,0,2]=3 10 B4R0.2 COCCO DB02806 [1,0,0,0,0,0|1,0,1]=3 11 B4R0.2 C\C=C\C=O DB04381 [1,0,0,0,0,0|0,0,2]=3 12 B4R0.2 O=CCC=O DB03057 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.2 OCCCO DB02774 [1,0,0,0,0,0|1,0,2]=4 14 B4R0.2 [C-]#[N+]CCC DB04050 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.4 CCCCB(O)O DB02664 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.4 CCCCC(=O)O DB02406 [0,1,0,0,0,0|1,0,0]=2 17 B6R0.4 CCCOC(C)=O DB01670 [0,1,0,0,0,0|0,0,0]=1 18 B6R0.6 NCCCCCN DB03854 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.6 O=CCCCC=O DB03266 [0,1,0,0,0,0|1,0,1]=3 20 B6R1.1 C1CCOCC1 DB02412 [0,0,0,1,0,0|1,0,1]=3 21 B6R1.1 C1COCCO1 DB03316 [0,0,0,1,0,0|2,0,1]=4 22 B6R1.2 NC1=NCCS1 DB02335 [0,0,0,1,0,0|2,1,0]=4 23 B6R1.2 O=C1CCCO1 DB04699 [0,0,0,1,0,0|0,0,0]=1 24 B6R1.2 OB1OCCO1 DB04369 [0,0,0,1,0,0|2,0,1]=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|0,0,0]=2 27 B3R0.1 CCN=O DB02646 [2,0,0,0,0,0|1,0,0]=3 28 B3R0.1 CCNC DB02396 [2,0,0,0,0,0|1,0,1]=4 29 B3R0.1 ClCCCl DB03733 [2,0,0,0,0,0|2,0,0]=4 30 B3R0.1 N=CCN DB02108 [2,0,0,0,0,0|2,0,0]=4 31 B3R0.1 NCCN DB14189 [2,0,0,0,0,0|2,0,0]=4 32 B3R0.1 NCCO DB03994 [2,0,0,0,0,0|1,0,0]=3 33 B3R0.1 OCCS DB03345 [2,0,0,0,0,0|1,0,0]=3 34 B5R0.1 C=C(Br)CCO DB04592 [1,1,0,0,0,0|2,0,0]=4 35 B5R0.1 CC(=O)CCO DB04094 [1,1,0,0,0,0|1,0,0]=3 36 B5R0.1 CC(C)CCO DB02296 [1,1,0,0,0,0|0,0,2]=4 37 B5R0.1 CC(O)CCO DB14110 [1,1,0,0,0,0|0,0,2]=4 38 B5R0.1 CCCC(=O)O DB03568 [1,1,0,0,0,0|0,0,0]=2 39 B5R0.1 CCCC(N)=O DB02121 [1,1,0,0,0,0|0,0,0]=2 40 B5R0.1 CCSC(=N)N DB02234 [1,1,0,0,0,0|1,1,0]=4 41 B5R0.1 CC[Se]C(=N)N DB02589 [1,1,0,0,0,0|1,1,0]=4 42 B5R0.1 CSCC(=O)[O-] DB03517 [1,1,0,0,0,0|1,0,0]=3 43 B5R0.1 CSC[S@](C)=O DB02311 [1,1,0,0,0,0|1,1,0]=4 44 B5R0.1 C[C@H](O)CCO DB02202 [1,1,0,0,0,0|0,0,2]=4 45 B5R0.1 C[Se]CC(=O)[O-] DB03098 [1,1,0,0,0,0|1,0,0]=3 46 B5R0.1 C[Te]CC(=O)[O-] DB01918 [1,1,0,0,0,0|1,0,0]=3 47 B5R0.1 C\C=C\C(=O)O DB02074 [1,1,0,0,0,0|0,0,2]=4 48 B5R0.1 NCCC(=O)O DB03107 [1,1,0,0,0,0|1,0,0]=3 49 B5R0.1 NOCC(=O)O DB02079 [1,1,0,0,0,0|2,0,0]=4 50 B5R0.1 O=C(O)CCO DB03688 [1,1,0,0,0,0|1,0,0]=3 51 B5R0.3 O=C[C@H](O)CO DB02536 [1,1,0,0,0,0|1,0,0]=3 52 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [0,2,0,0,0,0|2,0,0]=4 53 B7R0.3 [C@@H](N)(C=O)CCCC DB03241 [0,2,0,0,0,0|1,0,0]=3 54 B7R0.5 CCC[C@H](N)C(=O)O DB04185 [0,2,0,0,0,0|1,0,0]=3 55 B7R0.5 CSC[C@H](N)C(=O)O DB02216 [0,2,0,0,0,0|2,0,0]=4 56 B7R0.5 NCC[C@H](N)C(=O)O DB03817 [0,2,0,0,0,0|2,0,0]=4 57 B7R0.5 N[C@@H](CCO)C(=O)O DB04193 [0,2,0,0,0,0|2,0,0]=4 58 B7R0.5 N[C@@H](CCS)C(=O)O DB04422 [0,2,0,0,0,0|2,0,0]=4 59 B7R0.4 NC(=[NH2+])NCCCO DB03637 [0,2,0,0,0,0|2,0,0]=4 60 B7R0.4 O=C(O)CCCCO DB04781 [0,2,0,0,0,0|1,0,0]=3 61 B7R0.4 O=P(=O)OCCC[O-] DB04755 [0,2,0,0,0,0|1,0,0]=3 62 B7R0.4 [NH3+]CCCCC(=O)O DB02068 [0,2,0,0,0,0|1,0,0]=3 63 B7R0.6 CC(=O)CCC(=O)O DB02239 [0,2,0,0,0,0|1,0,1]=4 64 B7R0.6 CC(=O)CCC(=O)[O-] DB13800 [0,2,0,0,0,0|1,0,1]=4 65 B7R0.6 CC(C)CCC(=O)O DB03993 [0,2,0,0,0,0|1,0,0]=3 66 B7R0.8 CCCCP(=O)(O)O DB03999 [0,2,0,0,0,0|2,0,0]=4 67 B7R0.8 NCCOP(=O)(O)O DB01738 [0,2,0,0,0,0|2,0,0]=4 68 B7R1.3 O=C1CCCCC1 DB02060 [0,1,0,1,0,0|1,0,0]=3 69 B7R1.3 [C@@H]1(N)CCC=NC1 DB04504 [0,1,0,1,0,0|2,0,0]=4 70 B7R1.4 N[C@@H]1CCOC1=O DB02624 [0,1,0,1,0,0|0,0,0]=2