0 B4R0.1 C=C(Br)CO DB04320 [0,0,0,0,0,0|1,1,1]=3 1 B4R0.1 C=CC(=O)O DB02579 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 CC(=O)C=O DB03587 [0,0,0,0,0,0|0,1,1]=2 3 B4R0.1 CC(=O)O[Hg+] DB02176 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.1 CCC(N)=O DB04161 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.1 CC[C@@H](C)O DB02606 [0,0,0,0,0,0|1,0,2]=3 6 B4R0.1 CN(C)C=O DB01844 [0,0,0,0,0,0|2,1,1]=4 7 B4R0.1 C[C@@H](Cl)CCl DB01701 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 C[C@@H](O)CO DB02159 [0,0,0,0,0,0|0,1,2]=3 9 B4R0.1 C[C@H](O)C=O DB03776 [0,0,0,0,0,0|0,1,3]=4 10 B4R0.1 C[C@H](O)CBr DB03335 [0,0,0,0,0,0|1,0,2]=3 11 B4R0.1 C[C@H](O)CO DB04349 [0,0,0,0,0,0|0,1,2]=3 12 B4R0.1 C[C@H](O)C[NH3+] DB02576 [0,0,0,0,0,0|1,0,2]=3 13 B4R0.1 N=C(N)NO DB03770 [0,0,0,0,0,0|3,1,0]=4 14 B4R0.1 NCC(N)=O DB03636 [0,0,0,0,0,0|2,0,0]=2 15 B4R0.1 O=C(O)CBr DB02198 [0,0,0,0,0,0|2,0,0]=2 16 B4R0.1 O=CC(=O)O DB04343 [0,0,0,0,0,0|1,1,1]=3 17 B3R0.1 C#[N+]CC DB03399 [1,0,0,0,0,0|2,0,1]=4 18 B3R0.1 C(N)=CS DB01968 [1,0,0,0,0,0|1,0,1]=3 19 B3R0.1 CCCO DB03175 [1,0,0,0,0,0|0,1,1]=3 20 B3R0.1 CCN=O DB02646 [1,0,0,0,0,0|2,0,0]=3 21 B3R0.1 CCNC DB02396 [1,0,0,0,0,0|2,0,0]=3 22 B3R0.1 ClCCCl DB03733 [1,0,0,0,0,0|2,0,1]=4 23 B3R0.1 N=CCN DB02108 [1,0,0,0,0,0|2,0,0]=3 24 B3R0.1 NCCN DB14189 [1,0,0,0,0,0|2,0,1]=4 25 B3R0.1 NCCO DB03994 [1,0,0,0,0,0|1,0,2]=4 26 B3R0.1 OCCS DB03345 [1,0,0,0,0,0|0,0,2]=3 27 B3R0.2 CC(N)=O DB02736 [1,0,0,0,0,0|1,0,0]=2 28 B3R0.2 C[P@@H](=O)[O-] DB02825 [1,0,0,0,0,0|1,1,0]=3 29 B3R0.2 C[P@H](=O)O DB02845 [1,0,0,0,0,0|1,1,0]=3 30 B3R0.2 NC(=O)O DB04261 [1,0,0,0,0,0|1,1,0]=3 31 B3R0.2 O=C([O-])[O-] DB13322 [1,0,0,0,0,0|1,1,0]=3 32 B3R0.2 O=[Mo+6](O)O DB04494 [1,0,0,0,0,0|2,1,0]=4 33 B3R0.2 O=[Mo](=O)S DB03328 [1,0,0,0,0,0|2,0,0]=3 34 B3R0.2 O=[Si]([O-])[O-] DB14116 [1,0,0,0,0,0|1,2,0]=4 35 B3R0.2 OCl(=O)=O DB14150 [1,0,0,0,0,0|2,1,0]=4 36 B5R0.1 C=C(Br)CCO DB04592 [0,1,0,0,0,0|1,1,1]=4 37 B5R0.1 CC(=O)CCO DB04094 [0,1,0,0,0,0|0,1,0]=2 38 B5R0.1 CC(C)CCO DB02296 [0,1,0,0,0,0|1,1,1]=4 39 B5R0.1 CC(O)CCO DB14110 [0,1,0,0,0,0|0,1,2]=4 40 B5R0.1 CCCC(=O)O DB03568 [0,1,0,0,0,0|2,0,0]=3 41 B5R0.1 CCCC(N)=O DB02121 [0,1,0,0,0,0|2,0,0]=3 42 B5R0.1 CCSC(=N)N DB02234 [0,1,0,0,0,0|3,0,0]=4 43 B5R0.1 CC[Se]C(=N)N DB02589 [0,1,0,0,0,0|3,0,0]=4 44 B5R0.1 CN(C)CCO DB13352 [0,1,0,0,0,0|2,1,0]=4 45 B5R0.1 CSCC(=O)[O-] DB03517 [0,1,0,0,0,0|1,0,0]=2 46 B5R0.1 CSC[S@](C)=O DB02311 [0,1,0,0,0,0|1,0,0]=2 47 B5R0.1 C[C@H](O)CCO DB02202 [0,1,0,0,0,0|0,1,2]=4 48 B5R0.1 C[Se]CC(=O)[O-] DB03098 [0,1,0,0,0,0|1,1,0]=3 49 B5R0.1 C[Te]CC(=O)[O-] DB01918 [0,1,0,0,0,0|1,1,0]=3 50 B5R0.1 C\C=C\C(=O)O DB02074 [0,1,0,0,0,0|2,0,1]=4 51 B5R0.1 NCCC(=O)O DB03107 [0,1,0,0,0,0|2,0,0]=3 52 B5R0.1 NOCC(=O)O DB02079 [0,1,0,0,0,0|1,1,0]=3 53 B5R0.1 O=C(O)CCO DB03688 [0,1,0,0,0,0|1,1,0]=3 54 B5R0.3 O=C(CO)CO DB01775 [0,1,0,0,0,0|0,1,0]=2 55 B5R0.3 O=C[C@H](O)CO DB02536 [0,1,0,0,0,0|1,1,1]=4 56 B5R0.3 OC[C@@H](O)CS DB03864 [0,1,0,0,0,0|0,0,2]=3 57 B5R0.4 CCS(=O)(=O)O DB03635 [0,1,0,0,0,0|3,0,0]=4 58 B5R0.4 CC[Si](C)(C)C DB02265 [0,1,0,0,0,0|2,1,0]=4 59 B5R0.4 O=P([O-])([O-])CS DB03498 [0,1,0,0,0,0|2,0,0]=3 60 B5R0.5 C=C(N)C(=O)O DB02688 [0,1,0,0,0,0|2,0,1]=4 61 B5R0.5 C=C(N)C(N)=O DB02002 [0,1,0,0,0,0|2,0,1]=4 62 B5R0.5 CC(=O)C(N)=O DB03578 [0,1,0,0,0,0|0,1,1]=3 63 B5R0.5 CC(=O)[C@@H](C)O DB04364 [0,1,0,0,0,0|0,1,0]=2 64 B5R0.5 CC(=O)[C@H](C)O DB02788 [0,1,0,0,0,0|0,1,0]=2 65 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [0,1,0,0,0,0|1,1,1]=4 66 B5R0.5 CC(C)C(=O)O DB02531 [0,1,0,0,0,0|2,0,0]=3 67 B5R0.5 C[C@@H](N)C(=O)O DB01786 [0,1,0,0,0,0|2,0,0]=3 68 B5R0.5 C[C@@H](O)C(=O)O DB03066 [0,1,0,0,0,0|1,1,0]=3 69 B5R0.5 C[C@H](O)[C@@H](C)O DB02418 [0,1,0,0,0,0|0,1,2]=4 70 B5R0.5 NC(=O)C(=O)O DB03940 [0,1,0,0,0,0|1,1,1]=4 71 B5R0.5 O=C(O)C(=O)O DB03902 [0,1,0,0,0,0|1,1,1]=4 72 B2R0.1 CCCl DB13259 [2,0,0,0,0,0|1,0,0]=3 73 B2R0.1 N=N/C DB04361 [2,0,0,0,0,0|2,0,0]=4 74 B2R0.1 O=CO DB01942 [2,0,0,0,0,0|0,1,0]=3 75 B2R0.1 O=P[O-] DB04053 [2,0,0,0,0,0|1,1,0]=4 76 B2R0.1 O=[Si]=O DB13654 [2,0,0,0,0,0|0,2,0]=4 77 B2R0.1 O=[Si]=O DB14138 [2,0,0,0,0,0|0,2,0]=4 78 B2R0.1 [C-]#[N+]C DB04337 [2,0,0,0,0,0|1,0,1]=4 79 B4R0.2 CCCCN DB03659 [1,1,0,0,0,0|1,0,1]=4 80 B4R0.2 CCCCO DB02145 [1,1,0,0,0,0|0,1,1]=4 81 B4R0.2 COCCO DB02806 [1,1,0,0,0,0|0,1,1]=4 82 B4R0.2 C\C=C\C=O DB04381 [1,1,0,0,0,0|0,1,1]=4 83 B4R0.2 O=CCC=O DB03057 [1,1,0,0,0,0|0,1,0]=3 84 B4R0.2 OCCCO DB02774 [1,1,0,0,0,0|0,1,1]=4 85 B4R0.2 [C-]#[N+]CCC DB04050 [1,1,0,0,0,0|1,0,1]=4 86 B4R0.3 CC(C)(C)O DB03900 [1,1,0,0,0,0|0,0,2]=4 87 B4R0.3 CS(C)(=O)=O DB14090 [1,1,0,0,0,0|1,0,0]=3 88 B4R0.3 C[As](C)(=O)O DB02994 [1,1,0,0,0,0|1,0,0]=3 89 B4R0.3 C[N+](C)(C)C DB03095 [1,1,0,0,0,0|2,0,0]=4 90 B6R0.1 CCNC(=O)OC DB03919 [0,2,0,0,0,0|1,0,0]=3 91 B6R0.1 CCOC(=O)NC DB02856 [0,2,0,0,0,0|1,0,0]=3 92 B6R0.1 OC[C@@H](O)CSO DB01684 [0,2,0,0,0,0|0,0,2]=4 93 B6R0.2 CC(=O)CC(=O)O DB01762 [0,2,0,0,0,0|0,1,0]=3 94 B6R0.2 CC(C)CC(=O)O DB03750 [0,2,0,0,0,0|2,0,0]=4 95 B6R0.2 CN(C)CC(=O)O DB02083 [0,2,0,0,0,0|2,0,0]=4 96 B6R0.2 NC(=O)CC(=O)O DB02649 [0,2,0,0,0,0|1,1,0]=4 97 B6R0.2 O=C(O)CC(=O)O DB02175 [0,2,0,0,0,0|1,1,0]=4 98 B6R0.2 O=C([O-])CC(=O)[O-] DB02201 [0,2,0,0,0,0|1,1,0]=4 99 B6R0.3 C#C[C@H](N)C(=O)O DB04217 [0,2,0,0,0,0|2,0,0]=4 100 B6R0.3 C=C[C@@H]([NH3+])C(=O)[O-] DB01804 [0,2,0,0,0,0|2,0,0]=4 101 B6R0.3 C=C[C@H](N)C(=O)O DB03214 [0,2,0,0,0,0|2,0,0]=4 102 B6R0.3 CCC(=O)C(=O)O DB04553 [0,2,0,0,0,0|0,1,1]=4 103 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,2,0,0,0,0|1,0,1]=4 104 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,2,0,0,0,0|2,0,0]=4 105 B6R0.3 C[C@H](CN)C(=O)[O-] DB03432 [0,2,0,0,0,0|1,0,1]=4 106 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [0,2,0,0,0,0|2,0,0]=4 107 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [0,2,0,0,0,0|1,1,0]=4 108 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,2,0,0,0,0|1,1,0]=4 109 B6R0.3 N[C@H](CS)C(=O)O DB03201 [0,2,0,0,0,0|1,0,0]=3 110 B6R0.3 O=C(O)C(=O)CO DB02951 [0,2,0,0,0,0|0,1,1]=4 111 B6R0.3 [C@H](N)(CS)C(=N)O DB03275 [0,2,0,0,0,0|1,0,1]=4 112 B6R0.3 [NH3+][C@H](CCl)C(=O)[O-] DB01735 [0,2,0,0,0,0|2,0,0]=4 113 B6R0.4 CCCCC(=O)O DB02406 [0,2,0,0,0,0|2,0,0]=4 114 B6R0.4 CCCOC(C)=O DB01670 [0,2,0,0,0,0|1,0,0]=3 115 B6R0.5 C[N+](C)(C)CCS DB01803 [0,2,0,0,0,0|2,0,0]=4 116 B6R0.7 CC(C)(N)C(=O)O DB02952 [0,2,0,0,0,0|2,0,0]=4 117 B6R1.2 O=C1CCCO1 DB04699 [0,1,0,1,0,0|1,0,0]=3