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 OCC(O)CO DB09462 [0,0,0,0,0,0|0,0,0]=0 3 B5R0.3 OCC(S)CS DB06782 [0,0,0,0,0,0|0,2,0]=2 4 B5R0.3 OC[C@@H](O)CS DB03864 [0,0,0,0,0,0|0,1,0]=1 5 B4R0.1 C=C(Br)CO DB04320 [1,0,0,0,0,0|1,0,2]=4 6 B4R0.1 CC(=O)NO DB00551 [1,0,0,0,0,0|1,0,2]=4 7 B4R0.1 CC(O)CO DB01839 [1,0,0,0,0,0|0,0,0]=1 8 B4R0.1 CCC(=O)O DB03766 [1,0,0,0,0,0|1,0,2]=4 9 B4R0.1 CC[C@@H](C)O DB02606 [1,0,0,0,0,0|1,0,0]=2 10 B4R0.1 C[C@@H](Cl)CCl DB01701 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 C[C@@H](O)CO DB02159 [1,0,0,0,0,0|0,0,0]=1 12 B4R0.1 C[C@H](O)C=O DB03776 [1,0,0,0,0,0|0,0,2]=3 13 B4R0.1 C[C@H](O)CBr DB03335 [1,0,0,0,0,0|1,0,0]=2 14 B4R0.1 C[C@H](O)CO DB04349 [1,0,0,0,0,0|0,0,0]=1 15 B4R0.1 C[C@H](O)C[NH3+] DB02576 [1,0,0,0,0,0|1,0,0]=2 16 B4R0.1 NCC(=O)O DB00145 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.1 O=C(O)CBr DB02198 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 O=C(O)CO DB03085 [1,0,0,0,0,0|0,0,2]=3 19 B4R0.2 CCCCN DB03659 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.2 CCCCO DB02145 [1,0,0,0,0,0|1,0,0]=2 21 B4R0.2 COCCO DB02806 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.2 OCCCO DB02774 [1,0,0,0,0,0|0,0,0]=1 23 B4R0.2 [C-]#[N+]CCC DB04050 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.1 OC[C@@H](O)CSO DB01684 [0,1,0,0,0,0|0,0,0]=1 25 B6R0.3 CC(C)[C@H](N)CO DB04383 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.3 N[C@@H](CO)C(=O)O DB00133 [0,1,0,0,0,0|1,0,1]=3 29 B6R0.3 N[C@@H](CS)C(=O)O DB00151 [0,1,0,0,0,0|1,1,1]=4 30 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [0,1,0,0,0,0|1,1,1]=4 32 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,1,0,0,0,0|1,0,1]=3 33 B6R0.3 N[C@H](CS)C(=O)O DB03201 [0,1,0,0,0,0|1,1,1]=4 34 B6R0.3 O=C(O)C(=O)CO DB02951 [0,1,0,0,0,0|0,0,3]=4 35 B6R0.3 [C@H](C)(O)[C@H](N)CO DB01724 [0,1,0,0,0,0|1,0,0]=2 36 B6R0.3 [C@H](N)(CS)C(=N)O DB03275 [0,1,0,0,0,0|1,1,1]=4 37 B6R0.3 [C@H](N)(CS)C(=O)O DB11197 [0,1,0,0,0,0|1,1,1]=4 38 B3R0.1 C#[N+]CC DB03399 [2,0,0,0,0,0|2,0,0]=4 39 B3R0.1 CCCO DB03175 [2,0,0,0,0,0|0,0,0]=2 40 B3R0.1 CCN=O DB02646 [2,0,0,0,0,0|1,0,1]=4 41 B3R0.1 CCNC DB02396 [2,0,0,0,0,0|2,0,0]=4 42 B3R0.1 ClCCCl DB03733 [2,0,0,0,0,0|2,0,0]=4 43 B3R0.1 NCCN DB14189 [2,0,0,0,0,0|2,0,0]=4 44 B3R0.1 NCCO DB03994 [2,0,0,0,0,0|1,0,0]=3 45 B3R0.1 NCCS DB00847 [2,0,0,0,0,0|1,1,0]=4 46 B3R0.1 OCCS DB03345 [2,0,0,0,0,0|0,1,0]=3 47 B3R0.2 CC(=O)O DB03166 [2,0,0,0,0,0|0,0,2]=4 48 B3R0.2 CC(C)O DB02325 [2,0,0,0,0,0|0,0,0]=2 49 B3R0.2 CS(C)=O DB01093 [2,0,0,0,0,0|1,0,1]=4 50 B3R0.2 C[P@H](=O)O DB02845 [2,0,0,0,0,0|1,0,1]=4 51 B3R0.2 O=[Mo+6](O)O DB04494 [2,0,0,0,0,0|1,0,1]=4 52 B3R0.2 O=[Se](O)O DB11127 [2,0,0,0,0,0|1,0,1]=4 53 B3R0.2 OB(O)O DB11326 [2,0,0,0,0,0|1,0,0]=3 54 B3R0.2 O[As](O)O DB04456 [2,0,0,0,0,0|1,0,0]=3 55 B3R0.2 O[Sb](O)O DB02453 [2,0,0,0,0,0|1,0,0]=3 56 B3R0.2 O[Zn-](O)O DB02165 [2,0,0,0,0,0|1,0,0]=3 57 B5R0.1 CC(=O)CCO DB04094 [1,1,0,0,0,0|0,0,2]=4 58 B5R0.1 CC(C)CCO DB02296 [1,1,0,0,0,0|1,0,0]=3 59 B5R0.1 CC(O)CCO DB14110 [1,1,0,0,0,0|0,0,0]=2 60 B5R0.1 CN(C)CCO DB13352 [1,1,0,0,0,0|2,0,0]=4 61 B5R0.1 C[C@H](O)CCO DB02202 [1,1,0,0,0,0|0,0,0]=2 62 B5R0.1 NOCC(=O)O DB02079 [1,1,0,0,0,0|0,0,2]=4 63 B5R0.1 O=C(O)CCO DB03688 [1,1,0,0,0,0|0,0,2]=4 64 B5R0.4 CC(C)(O)C#N DB02203 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.4 OCC(F)(F)F DB03226 [1,1,0,0,0,0|2,0,0]=4 66 B5R0.5 CC(=O)[C@@H](C)O DB04364 [1,1,0,0,0,0|0,0,2]=4 67 B5R0.5 CC(=O)[C@H](C)O DB02788 [1,1,0,0,0,0|0,0,2]=4 68 B5R0.5 CC(C)C(=O)O DB02531 [1,1,0,0,0,0|1,0,1]=4 69 B5R0.5 CC(O)C(=O)O DB04398 [1,1,0,0,0,0|0,0,1]=3 70 B5R0.5 CC(O)C(=O)[O-] DB06768 [1,1,0,0,0,0|0,0,2]=4 71 B5R0.5 CC(O)C(=O)[O-] DB13231 [1,1,0,0,0,0|0,0,2]=4 72 B5R0.5 C[C@@H](N)C(=O)O DB01786 [1,1,0,0,0,0|1,0,1]=4 73 B5R0.5 C[C@@H](O)C(=O)O DB03066 [1,1,0,0,0,0|0,0,1]=3 74 B5R0.5 C[C@H](N)C(=O)O DB00160 [1,1,0,0,0,0|1,0,1]=4 75 B5R0.5 C[C@H](O)[C@@H](C)O DB02418 [1,1,0,0,0,0|0,0,0]=2 76 B5R0.2 CCCCC=O DB01919 [1,1,0,0,0,0|1,0,1]=4 77 B5R0.2 CCCCCN DB02045 [1,1,0,0,0,0|2,0,0]=4 78 B5R0.2 CCOCCO DB02249 [1,1,0,0,0,0|1,0,0]=3 79 B5R0.2 COCCOC DB01749 [1,1,0,0,0,0|2,0,0]=4 80 B5R0.2 NCCCCN DB01917 [1,1,0,0,0,0|2,0,0]=4 81 B5R0.2 OCCCCO DB01955 [1,1,0,0,0,0|0,0,0]=2 82 B5R0.2 [C-]#[N+]CCCC DB01826 [1,1,0,0,0,0|2,0,0]=4 83 B5R0.2 [NH3+]CCCCO DB02541 [1,1,0,0,0,0|1,0,0]=3 84 B7R0.2 NC[C@@H](F)C[PH](=O)O DB11920 [0,2,0,0,0,0|2,0,0]=4 85 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [0,2,0,0,0,0|1,1,0]=4 86 B7R0.3 CCCCC(O)CO DB14108 [0,2,0,0,0,0|1,0,0]=3 87 B7R0.5 N[C@@H](CCO)C(=O)O DB04193 [0,2,0,0,0,0|1,0,1]=4 88 B7R0.5 N[C@@H](CSO)C(=O)O DB01915 [0,2,0,0,0,0|1,0,1]=4 89 B7R0.10 OC[C@H](O)[C@@H](O)CO DB03278 [0,2,0,0,0,0|0,0,0]=2 90 B7R0.10 OC[C@H](O)[C@H](O)CO DB04481 [0,2,0,0,0,0|0,0,0]=2 91 B7R0.10 O[C@@H](CS)[C@@H](O)CS DB04447 [0,2,0,0,0,0|0,1,0]=3 92 B7R0.10 O[C@H](CS)[C@H](O)CS DB02184 [0,2,0,0,0,0|0,1,0]=3 93 B7R0.10 [C@@H](O)(CS)[C@@H](O)CS DB01692 [0,2,0,0,0,0|0,1,0]=3 94 B7R0.13 [C@H](C)(O)[C@@](C)(O)CN DB02847 [0,2,0,0,0,0|1,0,0]=3 95 B7R0.15 [C@H](CN)(CO)C(=O)O DB02904 [0,2,0,0,0,0|1,0,0]=3 96 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O DB03700 [0,2,0,0,0,0|1,0,1]=4 97 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O DB00156 [0,2,0,0,0,0|1,0,1]=4 98 B7R0.18 C[N+](CO)(CO)CO DB03570 [0,2,0,0,0,0|1,0,0]=3 99 B7R0.18 NC(CO)(CO)CO DB03754 [0,2,0,0,0,0|0,0,0]=2 100 B5R1.3 ClCC1CO1 DB00658 [1,0,0,1,0,0|1,0,0]=3 101 B7R1.3 OC1CCCCC1 DB03703 [0,1,0,1,0,0|2,0,0]=4