0 B5R0.5 CC(=O)C(=O)[O-] AC-20029 [0,0,0,0,0,0|0,0,1]=1 1 B5R0.5 CC(Br)C(=O)O AC-190 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.5 C[C@@H](O)[C@@H](C)O AC-26496 [0,0,0,0,0,0|1,0,3]=4 3 B5R0.5 C[C@H](Br)C(=O)O AC-28136 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.5 C[C@H](N)C(=O)O AC-014 [0,0,0,0,0,0|1,0,1]=2 5 B5R0.5 C[C@H](N)C(=O)O AC-24031 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.5 C[C@H](N)C(N)=O AC-24033 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.5 C[C@H](O)C(=O)[O-] AC-14439 [0,0,0,0,0,0|0,0,3]=3 8 B5R0.5 C[C@H](O)[C@H](C)O AC-26495 [0,0,0,0,0,0|1,0,3]=4 9 B4R0.1 CC(N)CO AC-24046 [1,0,0,0,0,0|1,0,2]=4 10 B4R0.1 CCC(=N)N AC-6582 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 CSC(=N)N AC-16449 [1,0,0,0,0,0|3,0,0]=4 12 B4R0.1 C[C@@H](N)CO AC-24153 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.1 C[C@@H](O)CO AC-14032 [1,0,0,0,0,0|0,0,3]=4 14 B4R0.1 C[C@H](N)CO AC-1565 [1,0,0,0,0,0|1,0,2]=4 15 B4R0.1 C[C@H](N)CO AC-24154 [1,0,0,0,0,0|1,0,2]=4 16 B4R0.1 C[C@H](O)CO AC-14033 [1,0,0,0,0,0|0,0,3]=4 17 B4R0.1 NC(=O)NO AC-22674 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.1 NCC(N)=O AC-7069 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.3 C=C[C@H](N)C(=O)O AC-22586 [0,1,0,0,0,0|1,0,2]=4 20 B6R0.3 CC(C)C(=O)NN AC-1522 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.3 CCC(=O)C(=O)O AC-37023 [0,1,0,0,0,0|0,0,0]=1 22 B6R0.3 CCC(=O)C(=O)[O-] AC-37022 [0,1,0,0,0,0|0,0,1]=2 23 B6R0.3 CC[C@@H](N)C(=O)O AC-1209 [0,1,0,0,0,0|1,0,1]=3 24 B6R0.3 CC[C@H](N)C(=O)O AC-23985 [0,1,0,0,0,0|1,0,1]=3 25 B6R0.3 CC[C@H](N)C(N)=O AC-23986 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.3 CN[C@@H](C)C(C)=O AC-24164 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.3 CN[C@H](C)C(=O)O AC-24129 [0,1,0,0,0,0|1,0,1]=3 28 B6R0.3 COC(=O)[C@@H](C)N AC-8640 [0,1,0,0,0,0|1,0,1]=3 29 B6R0.3 COC(=O)[C@H](C)N AC-36702 [0,1,0,0,0,0|1,0,1]=3 30 B6R0.3 CO[C@H](C)C(=O)O AC-31869 [0,1,0,0,0,0|0,0,2]=3 31 B6R0.3 C[C@H](CO)C(=O)O AC-9519 [0,1,0,0,0,0|0,0,2]=3 32 B6R0.3 C\C=C(\C)C(=O)O AC-30733 [0,1,0,0,0,0|1,0,0]=2 33 B6R0.3 NC(=O)C(Br)CBr AC-19535 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.3 NC(=O)[C@@H](N)CO AC-16681 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.3 NC(CO)C(=O)O AC-24074 [0,1,0,0,0,0|1,0,1]=3 36 B6R0.3 NCC(N)C(=O)O AC-22379 [0,1,0,0,0,0|1,0,1]=3 37 B6R0.3 NCC(N)C(=O)O AC-5659 [0,1,0,0,0,0|1,0,1]=3 38 B6R0.3 NC[C@@H](N)C(=O)O AC-5660 [0,1,0,0,0,0|1,0,1]=3 39 B6R0.3 NC[C@H](N)C(=O)O AC-5654 [0,1,0,0,0,0|1,0,1]=3 40 B6R0.3 N[C@@H](CCl)C(=O)O AC-22368 [0,1,0,0,0,0|1,0,1]=3 41 B6R0.3 N[C@@H](CCl)C(=O)O AC-8102 [0,1,0,0,0,0|1,0,1]=3 42 B6R0.3 N[C@@H](CS)C(=O)O AC-12796 [0,1,0,0,0,0|1,0,1]=3 43 B6R0.3 N[C@H](CO)C(=O)O AC-24073 [0,1,0,0,0,0|1,0,1]=3 44 B6R0.3 N[C@H](CS)C(=O)O AC-7470 [0,1,0,0,0,0|1,0,1]=3 45 B6R0.3 N[C@H](CS)C(=O)O AC-7471 [0,1,0,0,0,0|1,0,1]=3 46 B6R0.3 OC(=O)[C@H](CO)N AC-1190 [0,1,0,0,0,0|1,0,1]=3 47 B6R0.3 [C@H](N)(CC)C(=O)O AC-1817 [0,1,0,0,0,0|1,0,1]=3 48 B6R0.7 CC(C)(Cl)C(=O)O AC-5641 [0,1,0,0,0,0|1,0,1]=3 49 B6R0.7 CC(C)(N)C(=O)O AC-2694 [0,1,0,0,0,0|1,0,1]=3 50 B6R0.7 O=C([O-])P(=O)([O-])[O-] AC-19808 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.7 O=C([O-])P(=O)([O-])[O-] AC-2085 [0,1,0,0,0,0|2,0,1]=4 52 B6R1.11 NC(=O)C1CC1 AC-13088 [0,0,0,1,0,0|2,0,1]=4 53 B6R1.11 O=C([O-])C1CO1 AC-30693 [0,0,0,1,0,0|0,0,3]=4 54 B6R1.11 O=C([O-])[C@@H]1CO1 AC-30695 [0,0,0,1,0,0|0,0,3]=4 55 B6R1.11 O=C([O-])[C@H]1CO1 AC-30694 [0,0,0,1,0,0|0,0,3]=4 56 B6R0.2 CC(=O)\C=C(\C)[O-] AC-1042 [0,0,0,0,0,1|1,0,1]=3 57 B6R0.2 CC(=O)\C=C(\C)[O-] AC-24213 [0,0,0,0,0,1|1,0,1]=3 58 B6R0.2 CC(=O)\C=C(\C)[O-] AC-24214 [0,0,0,0,0,1|1,0,1]=3 59 B6R0.2 CC(=O)\C=C(\C)[O-] AC-24217 [0,0,0,0,0,1|1,0,1]=3 60 B6R0.2 CC(=O)\C=C(\C)[O-] AC-5526 [0,0,0,0,0,1|1,0,1]=3 61 B6R0.2 CC(=O)\C=C(\C)[O-] AC-5536 [0,0,0,0,0,1|1,0,1]=3 62 B6R0.2 CC(C)=CB(O)O AC-33882 [0,0,0,0,0,1|2,0,1]=4 63 B6R0.2 CC(O)CC(=O)O AC-5701 [0,0,0,0,0,1|0,0,2]=3 64 B6R0.2 CN(C)CC(=O)O AC-30735 [0,0,0,0,0,1|2,0,0]=3 65 B6R0.2 C[C@@H](N)CC(=O)O AC-22067 [0,0,0,0,0,1|1,0,1]=3 66 B6R0.2 C[C@H](N)CC(=O)O AC-5698 [0,0,0,0,0,1|1,0,1]=3 67 B6R0.2 C[C@H](O)CC(=O)[O-] AC-13946 [0,0,0,0,0,1|0,0,3]=4 68 B3R0.2 CC(=N)N AC-22530 [2,0,0,0,0,0|2,0,0]=4 69 B3R0.2 CC(=O)O AC-19080 [2,0,0,0,0,0|0,0,0]=2 70 B3R0.2 CC(=O)[O-] AC-18132 [2,0,0,0,0,0|0,0,1]=3 71 B3R0.2 CC(=O)[O-] AC-677 [2,0,0,0,0,0|0,0,1]=3 72 B3R0.2 CS(=O)[O-] AC-1087 [2,0,0,0,0,0|1,0,1]=4 73 B3R0.2 O=[Sb](=O)[O-] AC-35170 [2,0,0,0,0,0|1,0,1]=4 74 B5R0.1 C#CCC(=O)O AC-30551 [1,1,0,0,0,0|0,0,2]=4 75 B5R0.1 C(Cl)CC(=O)O AC-16131 [1,1,0,0,0,0|0,0,1]=3 76 B5R0.1 O=C(O)CCS AC-4722 [1,1,0,0,0,0|0,0,1]=3 77 B5R0.3 C(=O)C(=O)OC AC-591 [1,1,0,0,0,0|0,0,0]=2 78 B5R0.3 COC(=O)CF AC-590 [1,1,0,0,0,0|1,0,1]=4 79 B5R0.3 COC(=O)CN AC-19215 [1,1,0,0,0,0|1,0,1]=4 80 B7R0.2 CC[C@@H](N)CC(=O)O AC-9143 [0,1,0,0,0,1|1,0,1]=4 81 B7R0.2 COC(=O)C[C@@H](C)O AC-25565 [0,1,0,0,0,1|0,0,2]=4 82 B7R0.2 COC(=O)C[C@H](C)O AC-25566 [0,1,0,0,0,1|0,0,2]=4 83 B7R0.2 NC[C@@H](O)CC(=O)O AC-13943 [0,1,0,0,0,1|0,0,2]=4 84 B7R0.2 NC[C@H](O)CC(=O)O AC-13944 [0,1,0,0,0,1|0,0,2]=4 85 B7R0.2 N[C@@H](CO)CC(=O)O AC-22091 [0,1,0,0,0,1|1,0,1]=4 86 B7R0.2 N[C@H](CO)CC(=O)O AC-22092 [0,1,0,0,0,1|1,0,1]=4 87 B7R0.9 C[N+](C)(C)CC(=O)O AC-34957 [0,1,0,0,0,1|2,0,0]=4 88 B7R0.16 CC(C)C(N)C(=O)O AC-24062 [0,1,0,0,0,1|1,0,1]=4 89 B7R0.16 CC(C)[C@@H](Br)C(=O)O AC-23805 [0,1,0,0,0,1|1,0,1]=4 90 B7R0.16 CC(C)[C@@H](Br)C(=O)O AC-5643 [0,1,0,0,0,1|1,0,1]=4 91 B7R0.16 CC(C)[C@@H](N)C(=O)O AC-24061 [0,1,0,0,0,1|1,0,1]=4 92 B7R0.16 CN(C)C(=O)C(=O)O AC-29211 [0,1,0,0,0,1|2,0,0]=4 93 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O AC-10526 [0,1,0,0,0,1|0,0,2]=4 94 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AC-11296 [0,1,0,0,0,1|0,0,2]=4 95 B7R0.16 C[C@H](N)[C@H](O)C(=O)O AC-9105 [0,1,0,0,0,1|1,0,1]=4 96 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O AC-24067 [0,1,0,0,0,1|0,0,2]=4 97 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AC-22377 [0,1,0,0,0,1|0,0,2]=4 98 B7R0.5 C#CCC(N)C(=O)O AC-9946 [0,2,0,0,0,0|1,0,1]=4 99 B7R0.5 C#CC[C@@H](N)C(=O)O AC-7947 [0,2,0,0,0,0|1,0,1]=4 100 B7R0.5 C#CC[C@H](N)C(=O)O AC-9947 [0,2,0,0,0,0|1,0,1]=4 101 B7R0.5 C=CC[C@@H](N)C(=O)O AC-25008 [0,2,0,0,0,0|1,0,1]=4 102 B7R0.5 C=CC[C@@H](N)C(=O)O AC-4462 [0,2,0,0,0,0|1,0,1]=4 103 B7R0.5 CCCC(N)C(=O)O AC-24060 [0,2,0,0,0,0|1,0,1]=4 104 B7R0.5 CCC[C@@H](N)C(=O)O AC-24059 [0,2,0,0,0,0|1,0,1]=4 105 B7R0.5 CCC[C@H](N)C(=O)O AC-31149 [0,2,0,0,0,0|1,0,1]=4 106 B7R0.5 CCOC(=O)C(N)=S AC-7151 [0,2,0,0,0,0|1,1,0]=4 107 B7R0.5 COCC(Cl)C(=O)O AC-2410 [0,2,0,0,0,0|1,0,1]=4 108 B7R0.5 COCC(N)C(=O)O AC-26598 [0,2,0,0,0,0|1,0,1]=4 109 B7R0.5 COC[C@@H](N)C(=O)O AC-1108 [0,2,0,0,0,0|1,0,1]=4 110 B7R0.5 COC[C@@H](N)C(=O)O AC-25779 [0,2,0,0,0,0|1,0,1]=4 111 B7R0.5 COC[C@H](N)C(=O)O AC-1107 [0,2,0,0,0,0|1,0,1]=4 112 B7R0.5 COC[C@H](N)C(=O)O AC-25783 [0,2,0,0,0,0|1,0,1]=4 113 B7R0.5 NC(CCO)C(=O)O AC-5670 [0,2,0,0,0,0|1,0,1]=4 114 B7R0.5 NCCC(N)C(=O)O AC-23758 [0,2,0,0,0,0|1,0,1]=4 115 B7R0.5 NCCC(O)C(=O)O AC-2929 [0,2,0,0,0,0|0,0,2]=4 116 B7R0.5 NCC[C@@H](N)C(=O)O AC-23757 [0,2,0,0,0,0|1,0,1]=4 117 B7R0.5 NCC[C@@H](N)C(=O)O AC-5661 [0,2,0,0,0,0|1,0,1]=4 118 B7R0.5 NCC[C@H](N)C(=O)O AC-5662 [0,2,0,0,0,0|1,0,1]=4 119 B7R0.5 NCC[C@H](O)C(=O)O AC-1318 [0,2,0,0,0,0|0,0,2]=4 120 B7R0.5 N[C@@H](CCBr)C(=O)O AC-5638 [0,2,0,0,0,0|1,0,1]=4 121 B7R0.5 N[C@@H](CCO)C(=O)O AC-5665 [0,2,0,0,0,0|1,0,1]=4 122 B7R0.5 N[C@H](CCO)C(=O)O AC-5666 [0,2,0,0,0,0|1,0,1]=4 123 B7R0.5 [C@@H](N)(CC=C)C(=O)O AC-877 [0,2,0,0,0,0|1,0,1]=4 124 B7R0.5 [C@H](N)(CC=C)C(=O)O AC-9624 [0,2,0,0,0,0|1,0,1]=4 125 B7R0.10 COC(=O)C(N)CO AC-24068 [0,2,0,0,0,0|1,0,1]=4 126 B7R0.10 COC(=O)C(O)CO AC-33823 [0,2,0,0,0,0|0,0,2]=4 127 B7R0.10 COC(=O)[C@@H](C)CO AC-31279 [0,2,0,0,0,0|0,0,2]=4 128 B7R0.10 COC(=O)[C@@H](N)CS AC-8650 [0,2,0,0,0,0|1,0,1]=4 129 B7R0.10 COC(=O)[C@@H](O)CO AC-33821 [0,2,0,0,0,0|0,0,2]=4 130 B7R0.10 COC(=O)[C@H](C)CO AC-31278 [0,2,0,0,0,0|0,0,2]=4 131 B7R0.10 COC(=O)[C@H](N)CCl AC-26976 [0,2,0,0,0,0|1,0,1]=4 132 B7R0.10 COC(=O)[C@H](N)CO AC-22365 [0,2,0,0,0,0|1,0,1]=4 133 B7R0.10 COC(=O)[C@H](N)CO AC-22366 [0,2,0,0,0,0|1,0,1]=4 134 B7R0.10 COC(=O)[C@H](O)CO AC-33822 [0,2,0,0,0,0|0,0,2]=4 135 B7R0.10 CON(C)C(=O)CCl AC-28975 [0,2,0,0,0,0|2,0,0]=4 136 B7R0.13 CC(=O)C(C)(C)CO AC-30558 [0,2,0,0,0,0|1,0,1]=4 137 B7R0.13 CC(C)(CO)C(=O)O AC-29208 [0,2,0,0,0,0|0,0,2]=4 138 B7R0.13 CC(C)(ON)C(=O)O AC-5592 [0,2,0,0,0,0|0,0,2]=4 139 B7R0.13 CC[C@@](C)(N)C(=O)O AC-4457 [0,2,0,0,0,0|1,0,1]=4 140 B7R0.13 CC[C@](C)(N)C(=O)O AC-4458 [0,2,0,0,0,0|1,0,1]=4 141 B7R0.13 C[C@@](N)(CO)C(=O)O AC-3443 [0,2,0,0,0,0|0,0,2]=4 142 B7R0.13 C[C@](N)(CO)C(=O)O AC-2370 [0,2,0,0,0,0|0,0,2]=4 143 B7R0.14 COC(=O)C(C)(C)N AC-6771 [0,2,0,0,0,0|1,0,1]=4 144 B7R0.15 CC[C@H](CO)C(=O)O AC-9520 [0,2,0,0,0,0|0,0,2]=4 145 B5R1.2 O=C1CSC1 AC-33700 [1,0,0,1,0,0|0,1,1]=4 146 B7R1.2 CC1=CC(=O)NN1 AC-624 [0,0,0,1,0,1|2,0,0]=4 147 B7R1.2 CC1=CC(C)=NO1 AC-19469 [0,0,0,1,0,1|2,0,0]=4 148 B7R1.2 CC1=NNC(=O)C1 AC-4810 [0,0,0,1,0,1|2,0,0]=4 149 B7R1.2 CC1=NOC(N)=C1 AC-4824 [0,0,0,1,0,1|2,0,0]=4 150 B7R1.2 C[C@H]1COC(=O)O1 AC-26820 [0,0,0,1,0,1|1,0,1]=4 151 B7R1.2 NC1=NC(=O)CS1 AC-33843 [0,0,0,1,0,1|1,1,0]=4 152 B7R1.2 O=C1CCC(=O)C1 AC-1796 [0,0,0,1,0,1|1,0,0]=3 153 B7R1.2 O=C1CSC(=O)N1 AC-3453 [0,0,0,1,0,1|0,1,0]=3 154 B7R1.2 O=C1CSC(=S)N1 AC-18191 [0,0,0,1,0,1|0,2,0]=4 155 B7R1.2 O=C1C[C@@H](O)CO1 AC-13892 [0,0,0,1,0,1|0,0,2]=4 156 B7R1.2 O=C1C[C@H](O)CO1 AC-13891 [0,0,0,1,0,1|0,0,2]=4 157 B7R1.12 CC1CC1C(=O)O AC-26542 [0,0,0,1,0,1|1,0,1]=4 158 B7R1.12 O=C(O)C1CC1F AC-31184 [0,0,0,1,0,1|1,0,1]=4 159 B7R1.12 O=C(O)C1CC1S AC-6276 [0,0,0,1,0,1|0,1,1]=4 160 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F AC-31170 [0,0,0,1,0,1|1,0,1]=4 161 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F AC-31172 [0,0,0,1,0,1|1,0,1]=4 162 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I AC-31167 [0,0,0,1,0,1|1,0,1]=4 163 B7R1.12 O=C(O)[C@@H]1C[C@H]1F AC-31173 [0,0,0,1,0,1|1,0,1]=4 164 B7R1.12 O=C(O)[C@H]1C[C@H]1F AC-31171 [0,0,0,1,0,1|1,0,1]=4 165 B7R1.12 O=C(O)[C@H]1C[C@H]1I AC-31163 [0,0,0,1,0,1|1,0,1]=4 166 B7R1.20 O=C(O)CC1CC1 AC-1476 [0,0,0,1,0,1|1,0,1]=4 167 B7R1.4 CC1OCCC1=O AC-8268 [0,1,0,1,0,0|1,0,1]=4 168 B7R1.4 NN1CCOC1=O AC-33916 [0,1,0,1,0,0|2,0,0]=4 169 B7R1.4 N[C@@H]1CCOC1=O AC-23765 [0,1,0,1,0,0|1,0,1]=4 170 B7R1.4 N[C@@H]1CONC1=O AC-4721 [0,1,0,1,0,0|1,0,1]=4 171 B7R1.4 N[C@H]1CCOC1=O AC-5669 [0,1,0,1,0,0|1,0,1]=4 172 B7R1.4 O=C1NCC[C@@H]1O AC-24360 [0,1,0,1,0,0|1,0,1]=4 173 B7R1.4 O=C1OCCC1Br AC-18401 [0,1,0,1,0,0|1,0,1]=4 174 B7R1.18 O=C(O)C1CCC1 AC-27351 [0,1,0,1,0,0|1,0,1]=4 175 B7R1.18 O=C(O)C1CCN1 AC-23205 [0,1,0,1,0,0|1,0,1]=4 176 B7R1.18 O=C(O)C1CCN1 AC-23581 [0,1,0,1,0,0|1,0,1]=4 177 B7R1.18 O=C(O)C1CCN1 AC-5888 [0,1,0,1,0,0|1,0,1]=4 178 B7R1.18 O=C(O)C1CCO1 AC-28801 [0,1,0,1,0,0|0,0,2]=4 179 B7R1.18 O=C(O)C1CNC1 AC-5893 [0,1,0,1,0,0|1,0,1]=4 180 B7R1.18 O=C(O)[C@@H]1CCN1 AC-5699 [0,1,0,1,0,0|1,0,1]=4 181 B7R1.19 CC1(C(=O)O)CC1 AC-5063 [0,1,0,1,0,0|1,0,1]=4 182 B7R1.19 NC1(C(=O)O)CC1 AC-1835 [0,1,0,1,0,0|1,0,1]=4 183 B7R1.19 NC1(C(=O)O)CC1 AC-2698 [0,1,0,1,0,0|1,0,1]=4 184 B7R1.19 O=C(O)C1(Br)CC1 AC-29641 [0,1,0,1,0,0|1,0,1]=4 185 B7R1.19 O=C(O)C1(F)CC1 AC-31160 [0,1,0,1,0,0|1,0,1]=4 186 B7R1.19 O=C(O)C1(O)CC1 AC-497 [0,1,0,1,0,0|0,0,2]=4 187 B7R0.6 CC(=O)NCC(=O)O AC-24104 [0,0,0,0,0,2|0,0,0]=2