0 B5R0.3 O=C(CO)CO DB01775 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.3 O=C[C@H](O)CO DB02536 [0,0,0,0,0,0|0,0,2]=2 2 B5R0.3 OC[C@@H](O)CS DB03864 [0,0,0,0,0,0|0,1,0]=1 3 B4R0.1 C=C(Br)CO DB04320 [1,0,0,0,0,0|1,0,2]=4 4 B4R0.1 CC[C@@H](C)O DB02606 [1,0,0,0,0,0|1,0,0]=2 5 B4R0.1 C[C@@H](Cl)CCl DB01701 [1,0,0,0,0,0|2,0,0]=3 6 B4R0.1 C[C@@H](O)CO DB02159 [1,0,0,0,0,0|0,0,0]=1 7 B4R0.1 C[C@H](O)C=O DB03776 [1,0,0,0,0,0|0,0,2]=3 8 B4R0.1 C[C@H](O)CBr DB03335 [1,0,0,0,0,0|1,0,0]=2 9 B4R0.1 C[C@H](O)CO DB04349 [1,0,0,0,0,0|0,0,0]=1 10 B4R0.1 C[C@H](O)C[NH3+] DB02576 [1,0,0,0,0,0|1,0,0]=2 11 B4R0.1 O=C(O)CBr DB02198 [1,0,0,0,0,0|1,0,2]=4 12 B4R0.2 CCCCN DB03659 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.2 CCCCO DB02145 [1,0,0,0,0,0|1,0,0]=2 14 B4R0.2 COCCO DB02806 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.2 OCCCO DB02774 [1,0,0,0,0,0|0,0,0]=1 16 B4R0.2 [C-]#[N+]CCC DB04050 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.1 OC[C@@H](O)CSO DB01684 [0,1,0,0,0,0|0,0,0]=1 18 B6R0.3 CC(C)[C@H](N)CO DB04383 [0,1,0,0,0,0|2,0,0]=3 19 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [0,1,0,0,0,0|1,1,1]=4 23 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,1,0,0,0,0|1,0,1]=3 24 B6R0.3 N[C@H](CS)C(=O)O DB03201 [0,1,0,0,0,0|1,1,1]=4 25 B6R0.3 O=C(O)C(=O)CO DB02951 [0,1,0,0,0,0|0,0,3]=4 26 B6R0.3 [C@H](C)(O)[C@H](N)CO DB01724 [0,1,0,0,0,0|1,0,0]=2 27 B6R0.3 [C@H](N)(CS)C(=N)O DB03275 [0,1,0,0,0,0|1,1,1]=4 28 B3R0.1 C#[N+]CC DB03399 [2,0,0,0,0,0|2,0,0]=4 29 B3R0.1 CCCO DB03175 [2,0,0,0,0,0|0,0,0]=2 30 B3R0.1 CCN=O DB02646 [2,0,0,0,0,0|1,0,1]=4 31 B3R0.1 CCNC DB02396 [2,0,0,0,0,0|2,0,0]=4 32 B3R0.1 ClCCCl DB03733 [2,0,0,0,0,0|2,0,0]=4 33 B3R0.1 NCCN DB14189 [2,0,0,0,0,0|2,0,0]=4 34 B3R0.1 NCCO DB03994 [2,0,0,0,0,0|1,0,0]=3 35 B3R0.1 OCCS DB03345 [2,0,0,0,0,0|0,1,0]=3 36 B3R0.2 C[P@H](=O)O DB02845 [2,0,0,0,0,0|1,0,1]=4 37 B3R0.2 O=[Mo+6](O)O DB04494 [2,0,0,0,0,0|1,0,1]=4 38 B3R0.2 O[As](O)O DB04456 [2,0,0,0,0,0|1,0,0]=3 39 B3R0.2 O[Sb](O)O DB02453 [2,0,0,0,0,0|1,0,0]=3 40 B3R0.2 O[Zn-](O)O DB02165 [2,0,0,0,0,0|1,0,0]=3 41 B5R0.1 CC(=O)CCO DB04094 [1,1,0,0,0,0|0,0,2]=4 42 B5R0.1 CC(C)CCO DB02296 [1,1,0,0,0,0|1,0,0]=3 43 B5R0.1 CC(O)CCO DB14110 [1,1,0,0,0,0|0,0,0]=2 44 B5R0.1 CN(C)CCO DB13352 [1,1,0,0,0,0|2,0,0]=4 45 B5R0.1 C[C@H](O)CCO DB02202 [1,1,0,0,0,0|0,0,0]=2 46 B5R0.1 NOCC(=O)O DB02079 [1,1,0,0,0,0|0,0,2]=4 47 B5R0.1 O=C(O)CCO DB03688 [1,1,0,0,0,0|0,0,2]=4 48 B5R0.4 CC(C)(O)C#N DB02203 [1,1,0,0,0,0|1,0,1]=4 49 B5R0.4 OCC(F)(F)F DB03226 [1,1,0,0,0,0|2,0,0]=4 50 B5R0.5 CC(=O)[C@@H](C)O DB04364 [1,1,0,0,0,0|0,0,2]=4 51 B5R0.5 CC(=O)[C@H](C)O DB02788 [1,1,0,0,0,0|0,0,2]=4 52 B5R0.5 CC(C)C(=O)O DB02531 [1,1,0,0,0,0|1,0,1]=4 53 B5R0.5 C[C@@H](N)C(=O)O DB01786 [1,1,0,0,0,0|1,0,1]=4 54 B5R0.5 C[C@@H](O)C(=O)O DB03066 [1,1,0,0,0,0|0,0,1]=3 55 B5R0.5 C[C@H](O)[C@@H](C)O DB02418 [1,1,0,0,0,0|0,0,0]=2 56 B5R0.2 CCCCC=O DB01919 [1,1,0,0,0,0|1,0,1]=4 57 B5R0.2 CCCCCN DB02045 [1,1,0,0,0,0|2,0,0]=4 58 B5R0.2 CCOCCO DB02249 [1,1,0,0,0,0|1,0,0]=3 59 B5R0.2 COCCOC DB01749 [1,1,0,0,0,0|2,0,0]=4 60 B5R0.2 NCCCCN DB01917 [1,1,0,0,0,0|2,0,0]=4 61 B5R0.2 OCCCCO DB01955 [1,1,0,0,0,0|0,0,0]=2 62 B5R0.2 [C-]#[N+]CCCC DB01826 [1,1,0,0,0,0|2,0,0]=4 63 B5R0.2 [NH3+]CCCCO DB02541 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [0,2,0,0,0,0|1,1,0]=4 65 B7R0.3 CCCCC(O)CO DB14108 [0,2,0,0,0,0|1,0,0]=3 66 B7R0.5 N[C@@H](CCO)C(=O)O DB04193 [0,2,0,0,0,0|1,0,1]=4 67 B7R0.5 N[C@@H](CSO)C(=O)O DB01915 [0,2,0,0,0,0|1,0,1]=4 68 B7R0.10 OC[C@H](O)[C@@H](O)CO DB03278 [0,2,0,0,0,0|0,0,0]=2 69 B7R0.10 OC[C@H](O)[C@H](O)CO DB04481 [0,2,0,0,0,0|0,0,0]=2 70 B7R0.10 O[C@@H](CS)[C@@H](O)CS DB04447 [0,2,0,0,0,0|0,1,0]=3 71 B7R0.10 O[C@H](CS)[C@H](O)CS DB02184 [0,2,0,0,0,0|0,1,0]=3 72 B7R0.10 [C@@H](O)(CS)[C@@H](O)CS DB01692 [0,2,0,0,0,0|0,1,0]=3 73 B7R0.13 [C@H](C)(O)[C@@](C)(O)CN DB02847 [0,2,0,0,0,0|1,0,0]=3 74 B7R0.15 [C@H](CN)(CO)C(=O)O DB02904 [0,2,0,0,0,0|1,0,0]=3 75 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O DB03700 [0,2,0,0,0,0|1,0,1]=4 76 B7R0.18 C[N+](CO)(CO)CO DB03570 [0,2,0,0,0,0|1,0,0]=3 77 B7R1.3 OC1CCCCC1 DB03703 [0,1,0,1,0,0|2,0,0]=4