0 B5R0.1 C=C(Br)CCO DB04592 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 CC(=O)CCO DB04094 [0,0,0,0,0,0|0,0,2]=2 2 B5R0.1 CC(C)CCO DB02296 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.1 CC(O)CCO DB14110 [0,0,0,0,0,0|0,0,0]=0 4 B5R0.1 CCCC(=O)O DB03568 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CCCC(N)=O DB02121 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 CN(C)CCO DB13352 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 CSC[S@](C)=O DB02311 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 C[C@H](O)CCO DB02202 [0,0,0,0,0,0|0,0,0]=0 9 B5R0.1 NCCC(=O)O DB03107 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.1 NOCC(=O)O DB02079 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 O=C(O)CCO DB03688 [0,0,0,0,0,0|1,0,1]=2 12 B4R0.1 C=C(Br)CO DB04320 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.1 CCC(N)=O DB04161 [1,0,0,0,0,0|1,0,2]=4 14 B4R0.1 CC[C@@H](C)O DB02606 [1,0,0,0,0,0|0,0,0]=1 15 B4R0.1 C[C@@H](Cl)CCl DB01701 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 C[C@@H](O)CO DB02159 [1,0,0,0,0,0|0,0,0]=1 17 B4R0.1 C[C@H](O)C=O DB03776 [1,0,0,0,0,0|0,0,2]=3 18 B4R0.1 C[C@H](O)CBr DB03335 [1,0,0,0,0,0|1,0,0]=2 19 B4R0.1 C[C@H](O)CO DB04349 [1,0,0,0,0,0|0,0,0]=1 20 B4R0.1 C[C@H](O)C[NH3+] DB02576 [1,0,0,0,0,0|1,0,0]=2 21 B4R0.1 O=C(O)CBr DB02198 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.2 CCCCN DB03659 [1,0,0,0,0,0|1,0,0]=2 23 B4R0.2 CCCCO DB02145 [1,0,0,0,0,0|0,0,0]=1 24 B4R0.2 COCCO DB02806 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.2 OCCCO DB02774 [1,0,0,0,0,0|0,0,0]=1 26 B4R0.2 [C-]#[N+]CCC DB04050 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.1 OC[C@@H](O)CSO DB01684 [0,1,0,0,0,0|1,0,0]=2 28 B6R0.2 CC(=O)CC(=O)O DB01762 [0,1,0,0,0,0|0,0,3]=4 29 B6R0.2 CC(C)CC(=O)O DB03750 [0,1,0,0,0,0|1,0,1]=3 30 B6R0.2 CC(C)C[C@@H](C)N DB02107 [0,1,0,0,0,0|2,0,0]=3 31 B6R0.2 CN(C)CC(=O)O DB02083 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.2 O=C(O)CC(=O)O DB02175 [0,1,0,0,0,0|1,0,2]=4 33 B6R0.3 CC(C)[C@H](N)CO DB04383 [0,1,0,0,0,0|1,0,0]=2 34 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [0,1,0,0,0,0|1,1,1]=4 38 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,1,0,0,0,0|1,0,1]=3 39 B6R0.3 N[C@H](CS)C(=O)O DB03201 [0,1,0,0,0,0|1,1,1]=4 40 B6R0.3 O=C(O)C(=O)CO DB02951 [0,1,0,0,0,0|1,0,2]=4 41 B6R0.3 [C@H](C)(O)[C@H](N)CO DB01724 [0,1,0,0,0,0|0,0,0]=1 42 B6R0.3 [C@H](N)(CS)C(=N)O DB03275 [0,1,0,0,0,0|1,1,1]=4 43 B6R0.4 CCCCB(O)O DB02664 [0,1,0,0,0,0|3,0,0]=4 44 B6R0.4 CCCCC(=O)O DB02406 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.4 CCCOC(C)=O DB01670 [0,1,0,0,0,0|1,0,2]=4 46 B6R0.5 C[N+](C)(C)CCS DB01803 [0,1,0,0,0,0|2,1,0]=4 47 B6R1.2 O=C1CCCO1 DB04699 [0,0,0,1,0,0|2,0,1]=4 48 B3R0.1 C#[N+]CC DB03399 [2,0,0,0,0,0|1,0,1]=4 49 B3R0.1 CCCO DB03175 [2,0,0,0,0,0|0,0,0]=2 50 B3R0.1 CCN=O DB02646 [2,0,0,0,0,0|1,0,1]=4 51 B3R0.1 CCNC DB02396 [2,0,0,0,0,0|1,0,0]=3 52 B3R0.1 ClCCCl DB03733 [2,0,0,0,0,0|2,0,0]=4 53 B3R0.1 NCCN DB14189 [2,0,0,0,0,0|2,0,0]=4 54 B3R0.1 NCCO DB03994 [2,0,0,0,0,0|1,0,0]=3 55 B3R0.1 OCCS DB03345 [2,0,0,0,0,0|0,1,0]=3 56 B3R0.2 C[P@H](=O)O DB02845 [2,0,0,0,0,0|1,0,1]=4 57 B3R0.2 O=[Mo+6](O)O DB04494 [2,0,0,0,0,0|2,0,0]=4 58 B3R0.2 O[As](O)O DB04456 [2,0,0,0,0,0|2,0,0]=4 59 B3R0.2 O[Sb](O)O DB02453 [2,0,0,0,0,0|2,0,0]=4 60 B3R0.2 O[Zn-](O)O DB02165 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.3 O=C(CO)CO DB01775 [1,1,0,0,0,0|0,0,2]=4 62 B5R0.3 O=C[C@H](O)CO DB02536 [1,1,0,0,0,0|0,0,1]=3 63 B5R0.3 OC[C@@H](O)CS DB03864 [1,1,0,0,0,0|0,0,0]=2 64 B5R0.4 CC(C)(O)C#N DB02203 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.4 CCS(=O)(=O)O DB03635 [1,1,0,0,0,0|2,0,0]=4 66 B5R0.4 CC[Si](C)(C)C DB02265 [1,1,0,0,0,0|1,1,0]=4 67 B5R0.4 OCC(F)(F)F DB03226 [1,1,0,0,0,0|2,0,0]=4 68 B5R0.5 CC(=O)[C@@H](C)O DB04364 [1,1,0,0,0,0|0,0,1]=3 69 B5R0.5 CC(=O)[C@H](C)O DB02788 [1,1,0,0,0,0|0,0,1]=3 70 B5R0.5 CC(C)C(=O)O DB02531 [1,1,0,0,0,0|1,0,1]=4 71 B5R0.5 C[C@@H](N)C(=O)O DB01786 [1,1,0,0,0,0|1,0,1]=4 72 B5R0.5 C[C@@H](O)C(=O)O DB03066 [1,1,0,0,0,0|0,0,1]=3 73 B5R0.5 C[C@H](O)[C@@H](C)O DB02418 [1,1,0,0,0,0|0,0,0]=2 74 B5R0.2 CCCCC=O DB01919 [1,1,0,0,0,0|0,0,1]=3 75 B5R0.2 CCCCCN DB02045 [1,1,0,0,0,0|1,0,0]=3 76 B5R0.2 CCOCCO DB02249 [1,1,0,0,0,0|0,0,0]=2 77 B5R0.2 COCCOC DB01749 [1,1,0,0,0,0|1,0,0]=3 78 B5R0.2 NCCCCN DB01917 [1,1,0,0,0,0|1,0,0]=3 79 B5R0.2 OCCCCO DB01955 [1,1,0,0,0,0|0,0,0]=2 80 B5R0.2 [C-]#[N+]CCCC DB01826 [1,1,0,0,0,0|1,0,0]=3 81 B5R0.2 [NH3+]CCCCO DB02541 [1,1,0,0,0,0|0,0,0]=2 82 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [0,2,0,0,0,0|1,0,1]=4 83 B7R0.3 CCCCC(O)CO DB14108 [0,2,0,0,0,0|1,0,0]=3 84 B7R0.5 CCC[C@H](N)C(=O)O DB04185 [0,2,0,0,0,0|2,0,0]=4 85 B7R0.5 NCC[C@H](N)C(=O)O DB03817 [0,2,0,0,0,0|2,0,0]=4 86 B7R0.5 N[C@@H](CCO)C(=O)O DB04193 [0,2,0,0,0,0|1,0,0]=3 87 B7R0.5 N[C@@H](CCS)C(=O)O DB04422 [0,2,0,0,0,0|1,1,0]=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 B7R0.11 [C-]#[N+]CC(C)(C)OC DB14106 [0,2,0,0,0,0|2,0,0]=4 95 B7R0.9 C[C@H](O)CC(C)(C)O DB03564 [0,2,0,0,0,0|0,0,0]=2 96 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O DB03700 [0,2,0,0,0,0|0,0,1]=3 97 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)N DB04804 [0,2,0,0,0,0|1,0,1]=4 98 B7R0.16 [C@H](C)(N)[C@@H](N)C(=O)O DB04802 [0,2,0,0,0,0|1,0,1]=4 99 B7R0.13 [C@H](C)(O)[C@@](C)(O)CN DB02847 [0,2,0,0,0,0|1,0,0]=3 100 B7R0.15 [C@H](CN)(CO)C(=O)O DB02904 [0,2,0,0,0,0|1,0,1]=4 101 B7R0.4 O=C(O)CCCCO DB04781 [0,2,0,0,0,0|1,0,1]=4 102 B7R0.6 CC(=O)CCC(=O)O DB02239 [0,2,0,0,0,0|0,0,2]=4 103 B7R0.6 CC(C)CCC(=O)O DB03993 [0,2,0,0,0,0|1,0,0]=3 104 B7R1.1 NC[C@@H]1CCCN1 DB03253 [0,1,0,1,0,0|2,0,0]=4 105 B7R1.3 OC1CCCCC1 DB03703 [0,1,0,1,0,0|1,0,0]=3 106 B7R1.3 [C@@H]1(N)CCC=NC1 DB04504 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.3 [NH3+]C1CCCCC1 DB02995 [0,1,0,1,0,0|2,0,0]=4 108 B7R1.4 N[C@@H]1CCOC1=O DB02624 [0,1,0,1,0,0|1,0,1]=4