0 B5R0.1 C=C(Br)CCO DB04592 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 CC(=O)CCO DB04094 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 CC(C)CCO DB02296 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 CC(O)CCO DB14110 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CCCC(=O)O DB03568 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.1 CCCC(N)=O DB02121 [0,0,0,0,0,0|0,0,0]=0 6 B5R0.1 CCSC(=N)N DB02234 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 CC[Se]C(=N)N DB02589 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.1 CN(C)CCO DB13352 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.1 CSCC(=O)[O-] DB03517 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.1 CSC[S@](C)=O DB02311 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.1 C[C@H](O)CCO DB02202 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.1 C[Se]CC(=O)[O-] DB03098 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.1 C[Te]CC(=O)[O-] DB01918 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.1 C\C=C\C(=O)O DB02074 [0,0,0,0,0,0|1,0,2]=3 15 B5R0.1 NCCC(=O)O DB03107 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.1 NOCC(=O)O DB02079 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.1 O=C(O)CCO DB03688 [0,0,0,0,0,0|2,0,0]=2 18 B4R0.1 C=C(Br)CO DB04320 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.1 C=CC(=O)O DB02579 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.1 CC(=O)C=O DB03587 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 CC(=O)O[Hg+] DB02176 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.1 CCC(N)=O DB04161 [1,0,0,0,0,0|0,0,0]=1 23 B4R0.1 CC[C@@H](C)O DB02606 [1,0,0,0,0,0|1,0,2]=4 24 B4R0.1 N=C(N)NO DB03770 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 NCC(N)=O DB03636 [1,0,0,0,0,0|1,0,0]=2 26 B4R0.1 O=C(O)CBr DB02198 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 O=CC(=O)O DB04343 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.2 CCCCN DB03659 [1,0,0,0,0,0|0,0,1]=2 29 B4R0.2 CCCCO DB02145 [1,0,0,0,0,0|0,0,2]=3 30 B4R0.2 COCCO DB02806 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.2 C\C=C\C=O DB04381 [1,0,0,0,0,0|0,0,2]=3 32 B4R0.2 O=CCC=O DB03057 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.2 OCCCO DB02774 [1,0,0,0,0,0|1,0,2]=4 34 B4R0.2 [C-]#[N+]CCC DB04050 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.1 CCNC(=O)OC DB03919 [0,1,0,0,0,0|2,0,0]=3 36 B6R0.1 CCOC(=O)NC DB02856 [0,1,0,0,0,0|1,0,0]=2 37 B6R0.2 CC(=O)CC(=O)O DB01762 [0,1,0,0,0,0|1,0,1]=3 38 B6R0.2 CC(C)CC(=O)O DB03750 [0,1,0,0,0,0|1,0,0]=2 39 B6R0.2 CC(C)C[C@@H](C)N DB02107 [0,1,0,0,0,0|1,0,1]=3 40 B6R0.2 CC(C)SC(=N)N DB04018 [0,1,0,0,0,0|2,0,0]=3 41 B6R0.2 CN(C)CC(=O)O DB02083 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.2 NC(=O)CC(=O)O DB02649 [0,1,0,0,0,0|1,0,1]=3 43 B6R0.2 O=C(O)CC(=O)O DB02175 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.2 O=C([O-])CC(=O)[O-] DB02201 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.3 C#C[C@H](N)C(=O)O DB04217 [0,1,0,0,0,0|1,0,2]=4 46 B6R0.3 C=C(NC)C(=O)O DB03920 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.3 C=C[C@@H]([NH3+])C(=O)[O-] DB01804 [0,1,0,0,0,0|1,0,2]=4 48 B6R0.3 C=C[C@H](N)C(=O)O DB03214 [0,1,0,0,0,0|1,0,2]=4 49 B6R0.3 CCC(=O)C(=O)O DB04553 [0,1,0,0,0,0|1,0,1]=3 50 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,1,0,0,0,0|1,0,0]=2 51 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,1,0,0,0,0|1,0,0]=2 52 B6R0.3 C[C@H](CN)C(=O)[O-] DB03432 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.3 C\C=C(/N)C(=O)O DB03720 [0,1,0,0,0,0|1,0,2]=4 54 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [0,1,0,0,0,0|2,0,0]=3 56 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.3 N[C@H](CS)C(=O)O DB03201 [0,1,0,0,0,0|2,0,0]=3 58 B6R0.3 O=C(O)C(=O)CO DB02951 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.3 [C@H](N)(CS)C(=N)O DB03275 [0,1,0,0,0,0|1,0,2]=4 60 B6R0.3 [NH3+][C@H](CCl)C(=O)[O-] DB01735 [0,1,0,0,0,0|2,0,0]=3 61 B6R0.4 CCCCB(O)O DB02664 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.4 CCCCC(=O)O DB02406 [0,1,0,0,0,0|1,0,0]=2 63 B6R0.4 CCCOC(C)=O DB01670 [0,1,0,0,0,0|1,0,0]=2 64 B6R0.5 CCOP(=O)(O)O DB03822 [0,1,0,0,0,0|3,0,0]=4 65 B6R1.2 NC1=NCCS1 DB02335 [0,0,0,1,0,0|1,1,0]=3 66 B6R1.2 O=C1CCCO1 DB04699 [0,0,0,1,0,0|1,0,0]=2 67 B3R0.1 C#[N+]CC DB03399 [2,0,0,0,0,0|1,0,1]=4 68 B3R0.1 C(N)=CS DB01968 [2,0,0,0,0,0|1,0,1]=4 69 B3R0.1 CCCO DB03175 [2,0,0,0,0,0|0,0,1]=3 70 B3R0.1 CCN=O DB02646 [2,0,0,0,0,0|1,0,0]=3 71 B3R0.1 CCNC DB02396 [2,0,0,0,0,0|1,0,1]=4 72 B3R0.1 ClCCCl DB03733 [2,0,0,0,0,0|2,0,0]=4 73 B3R0.1 N=CCN DB02108 [2,0,0,0,0,0|1,0,1]=4 74 B3R0.1 NCCN DB14189 [2,0,0,0,0,0|1,0,0]=3 75 B3R0.1 NCCO DB03994 [2,0,0,0,0,0|1,0,0]=3 76 B3R0.1 OCCS DB03345 [2,0,0,0,0,0|1,0,1]=4 77 B3R0.2 CC(N)=O DB02736 [2,0,0,0,0,0|0,0,0]=2 78 B3R0.2 C[P@@H](=O)[O-] DB02825 [2,0,0,0,0,0|2,0,0]=4 79 B3R0.2 C[P@H](=O)O DB02845 [2,0,0,0,0,0|2,0,0]=4 80 B3R0.2 NC(=O)O DB04261 [2,0,0,0,0,0|1,0,0]=3 81 B3R0.2 O=C([O-])[O-] DB13322 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.3 O=C(CO)CO DB01775 [1,1,0,0,0,0|2,0,0]=4 83 B5R0.4 CCS(=O)(=O)O DB03635 [1,1,0,0,0,0|2,0,0]=4 84 B5R0.5 C=C(N)C(N)=O DB02002 [1,1,0,0,0,0|0,0,2]=4 85 B5R0.5 CC(=O)C(N)=O DB03578 [1,1,0,0,0,0|0,0,1]=3 86 B5R0.5 CC(=O)[C@@H](C)O DB04364 [1,1,0,0,0,0|1,0,0]=3 87 B5R0.5 CC(=O)[C@H](C)O DB02788 [1,1,0,0,0,0|1,0,0]=3 88 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [1,1,0,0,0,0|1,0,1]=4 89 B5R0.5 CC(C)C(=O)O DB02531 [1,1,0,0,0,0|1,0,0]=3 90 B5R0.5 C[C@@H](N)C(=O)O DB01786 [1,1,0,0,0,0|1,0,0]=3 91 B5R0.5 C[C@@H](O)C(=O)O DB03066 [1,1,0,0,0,0|1,0,0]=3 92 B5R0.5 NC(=O)C(=O)O DB03940 [1,1,0,0,0,0|1,0,1]=4 93 B5R0.2 CCCCC=O DB01919 [1,1,0,0,0,0|0,0,0]=2 94 B5R0.2 CCCCCN DB02045 [1,1,0,0,0,0|0,0,1]=3 95 B5R0.2 CCOCCO DB02249 [1,1,0,0,0,0|0,0,2]=4 96 B5R0.2 COCCOC DB01749 [1,1,0,0,0,0|2,0,0]=4 97 B5R0.2 NCCCCN DB01917 [1,1,0,0,0,0|0,0,1]=3 98 B5R0.2 OCCCCO DB01955 [1,1,0,0,0,0|0,0,2]=4 99 B5R0.2 [C-]#[N+]CCCC DB01826 [1,1,0,0,0,0|0,0,2]=4 100 B5R0.2 [NH3+]CCCCO DB02541 [1,1,0,0,0,0|0,0,2]=4 101 B7R0.2 CC(C)NC(=N)NO DB02143 [0,2,0,0,0,0|2,0,0]=4 102 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [0,2,0,0,0,0|1,0,0]=3 103 B7R0.3 [C@@H](N)(C=O)CCCC DB03241 [0,2,0,0,0,0|0,0,1]=3 104 B7R0.5 CCC[C@H](N)C(=O)O DB04185 [0,2,0,0,0,0|0,0,1]=3 105 B7R0.5 CSC[C@H](N)C(=O)O DB02216 [0,2,0,0,0,0|1,0,0]=3 106 B7R0.5 NCC[C@H](N)C(=O)O DB03817 [0,2,0,0,0,0|1,0,0]=3 107 B7R0.5 N[C@@H](CCO)C(=O)O DB04193 [0,2,0,0,0,0|1,0,0]=3 108 B7R0.5 N[C@@H](CCS)C(=O)O DB04422 [0,2,0,0,0,0|1,0,0]=3 109 B7R0.5 N[C@@H](CSO)C(=O)O DB01915 [0,2,0,0,0,0|2,0,0]=4 110 B7R0.5 N[C@@H](CSS)C(=O)O DB02761 [0,2,0,0,0,0|2,0,0]=4 111 B7R0.5 N[C@@H](CS[SeH])C(=O)O DB03049 [0,2,0,0,0,0|2,0,0]=4 112 B7R0.5 S(=O)C[C@H](N)C(=O)O DB03382 [0,2,0,0,0,0|2,0,0]=4 113 B7R0.5 [C@@H](N)(CC=O)C(=O)O DB04498 [0,2,0,0,0,0|1,0,1]=4 114 B7R0.9 C[N+](C)(C)CC(=O)O DB04455 [0,2,0,0,0,0|2,0,0]=4 115 B7R0.16 CC(=O)[C@H](N)C(=O)O DB03915 [0,2,0,0,0,0|1,0,1]=4 116 B7R0.16 CC(C)C(=O)C(=O)O DB04074 [0,2,0,0,0,0|1,0,1]=4 117 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O DB03700 [0,2,0,0,0,0|1,0,0]=3 118 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)N DB04804 [0,2,0,0,0,0|1,0,0]=3 119 B7R0.16 [C@H](C)(C(=O)O)N(C)C DB02167 [0,2,0,0,0,0|2,0,0]=4 120 B7R0.16 [C@H](C)(N)[C@@H](N)C(=O)O DB04802 [0,2,0,0,0,0|1,0,0]=3 121 B7R0.13 CC[C@@](C)(N)C(=O)O DB04171 [0,2,0,0,0,0|1,0,0]=3 122 B7R0.15 [C@H](CN)(CO)C(=O)O DB02904 [0,2,0,0,0,0|2,0,0]=4 123 B7R0.4 NC(=[NH2+])NCCCO DB03637 [0,2,0,0,0,0|1,0,0]=3 124 B7R0.4 O=C(O)CCCCO DB04781 [0,2,0,0,0,0|1,0,0]=3 125 B7R0.4 O=P(=O)OCCC[O-] DB04755 [0,2,0,0,0,0|2,0,0]=4 126 B7R0.4 [NH3+]CCCCC(=O)O DB02068 [0,2,0,0,0,0|1,0,0]=3 127 B7R0.6 CC(=O)CCC(=O)O DB02239 [0,2,0,0,0,0|1,0,0]=3 128 B7R0.6 CC(=O)CCC(=O)[O-] DB13800 [0,2,0,0,0,0|1,0,0]=3 129 B7R0.6 CC(=O)NCC(=O)O DB02713 [0,2,0,0,0,0|1,0,1]=4 130 B7R0.6 CC(C)CCC(=O)O DB03993 [0,2,0,0,0,0|1,0,0]=3 131 B7R0.8 CCCCP(=O)(O)O DB03999 [0,2,0,0,0,0|2,0,0]=4 132 B7R1.1 NC[C@@H]1CCCN1 DB03253 [0,1,0,1,0,0|1,0,1]=4 133 B7R1.3 O=C1CCCCC1 DB02060 [0,1,0,1,0,0|1,0,0]=3 134 B7R1.4 N[C@@H]1CCOC1=O DB02624 [0,1,0,1,0,0|1,0,0]=3 135 B7R1.19 NC1(C(=O)O)CC1 DB02085 [0,1,0,1,0,0|1,0,0]=3