0 B4R0.1 C=C(Br)CO DB04320 [0,0,0,0,0,0|1,0,2]=3 1 B4R0.1 C=CC(=O)O DB02579 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.1 CC(=O)C=O DB03587 [0,0,0,0,0,0|0,0,4]=4 3 B4R0.1 CC(=O)O[Hg+] DB02176 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 CCC(N)=O DB04161 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.1 CC[C@@H](C)O DB02606 [0,0,0,0,0,0|1,0,0]=1 6 B4R0.1 CN(C)C=O DB01844 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.1 C[C@@H](Cl)CCl DB01701 [0,0,0,0,0,0|2,0,0]=2 8 B4R0.1 C[C@@H](O)CO DB02159 [0,0,0,0,0,0|0,0,0]=0 9 B4R0.1 C[C@H](O)C=O DB03776 [0,0,0,0,0,0|0,0,2]=2 10 B4R0.1 C[C@H](O)CBr DB03335 [0,0,0,0,0,0|1,0,0]=1 11 B4R0.1 C[C@H](O)CO DB04349 [0,0,0,0,0,0|0,0,0]=0 12 B4R0.1 C[C@H](O)C[NH3+] DB02576 [0,0,0,0,0,0|1,0,0]=1 13 B4R0.1 N=C(N)NO DB03770 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 NCC(N)=O DB03636 [0,0,0,0,0,0|2,0,2]=4 15 B4R0.1 O=C(O)CBr DB02198 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.1 O=CC(=O)O DB04343 [0,0,0,0,0,0|1,0,3]=4 17 B3R0.1 C#[N+]CC DB03399 [1,0,0,0,0,0|2,0,0]=3 18 B3R0.1 CCCO DB03175 [1,0,0,0,0,0|0,0,0]=1 19 B3R0.1 CCN=O DB02646 [1,0,0,0,0,0|1,0,1]=3 20 B3R0.1 CCNC DB02396 [1,0,0,0,0,0|2,0,0]=3 21 B3R0.1 ClCCCl DB03733 [1,0,0,0,0,0|2,0,0]=3 22 B3R0.1 N=CCN DB02108 [1,0,0,0,0,0|2,0,1]=4 23 B3R0.1 NCCN DB14189 [1,0,0,0,0,0|2,0,0]=3 24 B3R0.1 NCCO DB03994 [1,0,0,0,0,0|1,0,0]=2 25 B3R0.1 OCCS DB03345 [1,0,0,0,0,0|0,1,0]=2 26 B3R0.2 BrC(Br)Br DB03054 [1,0,0,0,0,0|3,0,0]=4 27 B3R0.2 C(I)(I)I DB13813 [1,0,0,0,0,0|3,0,0]=4 28 B3R0.2 CC(N)=O DB02736 [1,0,0,0,0,0|1,0,2]=4 29 B3R0.2 C[P@@H](=O)[O-] DB02825 [1,0,0,0,0,0|1,0,2]=4 30 B3R0.2 C[P@H](=O)O DB02845 [1,0,0,0,0,0|1,0,1]=3 31 B3R0.2 NC(=O)O DB04261 [1,0,0,0,0,0|1,0,2]=4 32 B3R0.2 O=[Mo+6](O)O DB04494 [1,0,0,0,0,0|2,0,0]=3 33 B3R0.2 OCl(=O)=O DB14150 [1,0,0,0,0,0|2,0,1]=4 34 B3R0.2 O[As](O)O DB04456 [1,0,0,0,0,0|2,0,0]=3 35 B3R0.2 O[Sb](O)O DB02453 [1,0,0,0,0,0|2,0,0]=3 36 B3R0.2 O[Zn-](O)O DB02165 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.1 C=C(Br)CCO DB04592 [0,1,0,0,0,0|1,0,2]=4 38 B5R0.1 CC(=O)CCO DB04094 [0,1,0,0,0,0|0,0,2]=3 39 B5R0.1 CC(C)CCO DB02296 [0,1,0,0,0,0|1,0,0]=2 40 B5R0.1 CC(O)CCO DB14110 [0,1,0,0,0,0|0,0,0]=1 41 B5R0.1 CCCC(=O)O DB03568 [0,1,0,0,0,0|2,0,1]=4 42 B5R0.1 CN(C)CCO DB13352 [0,1,0,0,0,0|2,0,0]=3 43 B5R0.1 CSC[S@](C)=O DB02311 [0,1,0,0,0,0|1,1,1]=4 44 B5R0.1 C[C@H](O)CCO DB02202 [0,1,0,0,0,0|0,0,0]=1 45 B5R0.1 NCCC(=O)O DB03107 [0,1,0,0,0,0|2,0,1]=4 46 B5R0.1 NOCC(=O)O DB02079 [0,1,0,0,0,0|1,0,1]=3 47 B5R0.1 O=C(O)CCO DB03688 [0,1,0,0,0,0|1,0,1]=3 48 B5R0.3 O=C(CO)CO DB01775 [0,1,0,0,0,0|0,0,2]=3 49 B5R0.3 O=C[C@H](O)CO DB02536 [0,1,0,0,0,0|0,0,1]=2 50 B5R0.3 OC[C@@H](O)CS DB03864 [0,1,0,0,0,0|0,0,0]=1 51 B5R0.4 CC(C)(O)C#N DB02203 [0,1,0,0,0,0|1,0,1]=3 52 B5R0.4 CCS(=O)(=O)O DB03635 [0,1,0,0,0,0|3,0,0]=4 53 B5R0.4 CC[Si](C)(C)C DB02265 [0,1,0,0,0,0|2,1,0]=4 54 B5R0.4 OCC(F)(F)F DB03226 [0,1,0,0,0,0|2,0,0]=3 55 B5R0.5 CC(=O)[C@@H](C)O DB04364 [0,1,0,0,0,0|0,0,2]=3 56 B5R0.5 CC(=O)[C@H](C)O DB02788 [0,1,0,0,0,0|0,0,2]=3 57 B5R0.5 CC(C)C(=O)O DB02531 [0,1,0,0,0,0|1,0,1]=3 58 B5R0.5 C[C@@H](N)C(=O)O DB01786 [0,1,0,0,0,0|1,0,1]=3 59 B5R0.5 C[C@@H](O)C(=O)O DB03066 [0,1,0,0,0,0|0,0,1]=2 60 B5R0.5 C[C@H](O)[C@@H](C)O DB02418 [0,1,0,0,0,0|0,0,0]=1 61 B5R0.5 O=C(O)C(=O)O DB03902 [0,1,0,0,0,0|1,0,2]=4 62 B2R0.1 CCCl DB13259 [2,0,0,0,0,0|1,0,0]=3 63 B2R0.1 N=N/C DB04361 [2,0,0,0,0,0|2,0,0]=4 64 B2R0.1 O=CO DB01942 [2,0,0,0,0,0|0,0,2]=4 65 B2R0.1 [C-]#[N+]C DB04337 [2,0,0,0,0,0|1,0,1]=4 66 B4R0.2 CCCCN DB03659 [1,1,0,0,0,0|1,0,0]=3 67 B4R0.2 CCCCO DB02145 [1,1,0,0,0,0|0,0,0]=2 68 B4R0.2 COCCO DB02806 [1,1,0,0,0,0|0,0,0]=2 69 B4R0.2 OCCCO DB02774 [1,1,0,0,0,0|0,0,0]=2 70 B4R0.2 [C-]#[N+]CCC DB04050 [1,1,0,0,0,0|1,0,0]=3 71 B4R0.3 CC(C)(C)O DB03900 [1,1,0,0,0,0|0,0,0]=2 72 B4R0.3 CS(C)(=O)=O DB14090 [1,1,0,0,0,0|1,0,1]=4 73 B4R0.3 C[As](C)(=O)O DB02994 [1,1,0,0,0,0|1,0,0]=3 74 B4R0.3 C[N+](C)(C)C DB03095 [1,1,0,0,0,0|2,0,0]=4 75 B4R0.3 OP(=O)([O-])O DB02831 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.1 OC[C@@H](O)CSO DB01684 [0,2,0,0,0,0|0,0,0]=2 77 B6R0.2 CC(=O)CC(=O)O DB01762 [0,2,0,0,0,0|0,0,2]=4 78 B6R0.2 CC(C)CC(=O)O DB03750 [0,2,0,0,0,0|1,0,0]=3 79 B6R0.2 CC(C)C[C@@H](C)N DB02107 [0,2,0,0,0,0|2,0,0]=4 80 B6R0.2 CN(C)CC(=O)O DB02083 [0,2,0,0,0,0|2,0,0]=4 81 B6R0.2 O=C(O)CC(=O)O DB02175 [0,2,0,0,0,0|1,0,1]=4 82 B6R0.3 CC(C)[C@H](N)CO DB04383 [0,2,0,0,0,0|1,0,0]=3 83 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,2,0,0,0,0|1,0,0]=3 84 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,2,0,0,0,0|1,0,1]=4 85 B6R0.3 C[C@H](CN)C(=O)[O-] DB03432 [0,2,0,0,0,0|1,0,1]=4 86 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [0,2,0,0,0,0|1,0,1]=4 87 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [0,2,0,0,0,0|1,0,1]=4 88 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,2,0,0,0,0|1,0,0]=3 89 B6R0.3 N[C@H](CS)C(=O)O DB03201 [0,2,0,0,0,0|1,0,1]=4 90 B6R0.3 O=C(O)C(=O)CO DB02951 [0,2,0,0,0,0|1,0,1]=4 91 B6R0.3 [C@H](C)(O)[C@H](N)CO DB01724 [0,2,0,0,0,0|0,0,0]=2 92 B6R0.3 [C@H](N)(CS)C(=N)O DB03275 [0,2,0,0,0,0|1,0,1]=4 93 B6R0.7 CC(C)(N)C(=O)O DB02952 [0,2,0,0,0,0|1,0,1]=4