0 B6R0.5 C=CCS(=O)(=O)Cl AMY26582 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.5 CC(C)(O)CCN AMY42489 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.5 CCCS(=O)(=O)Cl AMY39421 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.5 CCCS(N)(=O)=O AMY27802 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.5 CCOS(C)(=O)=O AMY38422 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.5 CS(=O)(=O)CCBr AMY20175 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.5 CS(=O)(=O)CCCl AM803975 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.5 CS(=O)(=O)CCN AM20070694 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.5 NCCP(=O)(O)O AMY31171 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.5 NCCS(=O)(=O)O AM20080018 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.5 O=P(O)(O)CCBr AMY31194 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.5 O=S(=O)(Cl)CCBr AMY20174 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.5 O=S(=O)(Cl)CCCl AMY11389 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.5 O=S(=O)(Cl)OCCl AM1030 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.1 C#CCC(=O)O AMY19285 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CC(=O)CCO AMY31061 [1,0,0,0,0,0|2,1,0]=4 16 B5R0.1 CCCB(O)O AMY987 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CCCC(C)=O AMY25524 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 CNCC(=O)O AM20080021 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 COCC(=O)O AMY4059 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 C[C@@H](O)CCO AMY25740 [1,0,0,0,0,0|2,1,0]=4 21 B5R0.1 NCCC(=O)O AM20080020 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 NCCC(=O)O AMY22128 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 NCCC(N)=O AM20100576 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 NCCC(N)=O AMY6958 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 NNCC(=O)O AMY202100023 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 NOCC(=O)O AMY19484 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 O=C(Cl)CCBr AM90184 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.1 O=C(O)CCBr AM20100434 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 O=C(O)CCF AM803932 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.1 O=C(O)CCO AM85796 [1,0,0,0,0,0|1,1,0]=3 31 B5R0.1 O=C(O)CCS AMY27767 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.4 C=CS(=O)(=O)Cl AMY31444 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.4 C=CS(=O)(=O)[O-] AMY22517 [1,0,0,0,0,0|0,0,3]=4 34 B5R0.4 CCC(C)(C)O AMY11089 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.4 CCS(N)(=O)=O AMY33485 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.4 CNS(=O)(=O)Cl AMY20578 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.4 CNS(C)(=O)=O AMY40669 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.4 CS(=O)(=O)NN AM85458 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.4 CSS(C)(=O)=O AM20080910 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.4 NCS(=O)(=O)O AMY8974 [1,0,0,0,0,0|1,0,0]=2 41 B5R0.4 NOS(=O)(=O)O AMY13359 [1,0,0,0,0,0|2,0,0]=3 42 B7R0.8 C=CCCS(N)(=O)=O AMY27858 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.8 CCCNS(N)(=O)=O AMY40359 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.8 CCCNS([NH-])(=O)=O AMY3332 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.8 CCCOS(C)(=O)=O AMY3885 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.8 COCCS(=O)(=O)Cl AMY20215 [0,1,0,0,0,0|1,1,0]=3 47 B7R0.8 COCCS(=O)(=O)[O-] AMY20619 [0,1,0,0,0,0|0,1,1]=3 48 B7R0.8 CS(=O)(=O)CCCO AMY42220 [0,1,0,0,0,0|1,1,0]=3 49 B7R0.8 NCCCP(=O)(O)O AM20080224 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.8 NCCCS(=O)(=O)O AMY23443 [0,1,0,0,0,0|1,0,0]=2 51 B7R0.8 NCCCS(=O)(=O)[O-] AMY41221 [0,1,0,0,0,0|1,0,1]=3 52 B7R0.8 O=P(O)(O)CCCBr AMY31193 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.8 O=S(=O)(Cl)CCCCl AM20080454 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.8 O=S(=O)(O)CCCO AMY41222 [0,1,0,0,0,0|0,1,0]=2 55 B7R0.8 O=S(=O)([O-])CCCO AMY41223 [0,1,0,0,0,0|0,1,1]=3 56 B7R0.9 CC(C)CS(=O)(=O)Cl AMY3057 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.9 CS(=O)(=O)CC(=O)O AMY14249 [0,1,0,0,0,0|1,1,1]=4 58 B7R0.11 CCCS(=O)(=O)OC AMY7723 [0,1,0,0,0,0|1,0,0]=2 59 B7R0.14 CCN(C)S(N)(=O)=O AMY30403 [0,1,0,0,0,0|3,0,0]=4 60 B7R1.14 O=S1(=O)C=CCO1 AMY28660 [0,0,0,1,0,0|1,0,2]=4 61 B7R1.14 O=S1(=O)CCC=N1 AMY34126 [0,0,0,1,0,0|2,0,0]=3 62 B7R1.14 O=S1(=O)CCCC1 AMY33385 [0,0,0,1,0,0|2,0,0]=3 63 B7R1.14 O=S1(=O)CCCN1 AMY9120 [0,0,0,1,0,0|2,0,0]=3 64 B7R1.14 O=S1(=O)NCCN1 AMY9350 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.14 O=S1(=O)OCCO1 AMY21937 [0,0,0,1,0,0|2,0,0]=3 66 B7R1.16 O=C1CS(=O)(=O)C1 AMY32266 [0,0,0,1,0,0|1,1,1]=4 67 B7R1.16 O=S1(=O)CC(Br)C1 AM20100451 [0,0,0,1,0,0|2,0,0]=3 68 B7R1.16 O=S1(=O)CC(Cl)C1 AM20080429 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.26 NS(=O)(=O)C1CC1 AM20080396 [0,0,0,1,0,0|2,0,0]=3 70 B7R1.26 O=S(=O)(Cl)C1CC1 AM20080295 [0,0,0,1,0,0|2,0,0]=3 71 B4R0.1 CCB(O)O AM80871 [2,0,0,0,0,0|1,0,1]=4 72 B4R0.1 CCC(=O)Cl AMY4112 [2,0,0,0,0,0|2,0,0]=4 73 B4R0.1 CCC(=O)O AMY4114 [2,0,0,0,0,0|1,0,0]=3 74 B4R0.1 CCC(=O)[O-] AMY22300 [2,0,0,0,0,0|1,0,1]=4 75 B4R0.1 CCC(=O)[O-] AMY37013 [2,0,0,0,0,0|1,0,1]=4 76 B4R0.1 CC[C@H](C)O AMY11001 [2,0,0,0,0,0|2,0,0]=4 77 B4R0.1 CC[S@](=O)[O-] AMY15674 [2,0,0,0,0,0|0,0,2]=4 78 B4R0.1 NCC(=O)O AM81781 [2,0,0,0,0,0|2,0,0]=4 79 B4R0.1 O=C([O-])CS AMY25320 [2,0,0,0,0,0|1,0,1]=4 80 B4R0.2 OCCCBr AM20100533 [2,0,0,0,0,0|2,0,0]=4 81 B4R0.2 OCCCCl AMY9478 [2,0,0,0,0,0|2,0,0]=4 82 B4R0.2 OCCCF AM1014 [2,0,0,0,0,0|2,0,0]=4 83 B4R0.2 SCCCBr AM806637 [2,0,0,0,0,0|2,0,0]=4 84 B4R0.3 CP(=O)(O)O AM20120404 [2,0,0,0,0,0|1,0,1]=4 85 B4R0.3 CS(=O)(=O)O AMY32450 [2,0,0,0,0,0|0,0,0]=2 86 B4R0.3 CS(=O)(=O)[O-] AMY11772 [2,0,0,0,0,0|0,0,1]=3 87 B4R0.3 CS(C)(=N)=O AMY3326 [2,0,0,0,0,0|2,0,0]=4 88 B4R0.3 CS(C)(=O)=O AMY25756 [2,0,0,0,0,0|1,0,0]=3 89 B4R0.3 NS(=O)(=O)Cl AMY9077 [2,0,0,0,0,0|2,0,0]=4 90 B4R0.3 O=S(=O)(Cl)Cl AMY27828 [2,0,0,0,0,0|2,0,0]=4 91 B4R0.3 O=S(=O)(O)O AMY39406 [2,0,0,0,0,0|0,1,0]=3 92 B4R0.3 O=S(=O)(O)O AMY8941 [2,0,0,0,0,0|0,1,0]=3 93 B4R0.3 O=S(=O)([O-])[O-] AMY13697 [2,0,0,0,0,0|0,1,1]=4 94 B4R0.3 O=[Cr](=O)(O)O AMY22327 [2,0,0,0,0,0|1,1,0]=4 95 B6R0.1 COC(=O)CCBr AMY21872 [1,1,0,0,0,0|2,0,0]=4 96 B6R0.1 COC(=O)CCN AM20090461 [1,1,0,0,0,0|2,0,0]=4 97 B6R0.1 COC(=O)CCO AM85845 [1,1,0,0,0,0|1,1,0]=4 98 B6R0.2 CC(C)CC(=O)O AMY40214 [1,1,0,0,0,0|2,0,0]=4 99 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [1,1,0,0,0,0|1,1,0]=4 100 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [1,1,0,0,0,0|2,0,0]=4 101 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [1,1,0,0,0,0|2,0,0]=4 102 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [1,1,0,0,0,0|2,0,0]=4 103 B6R0.2 C[C@H](N)CC(=O)O AM804090 [1,1,0,0,0,0|2,0,0]=4 104 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [1,1,0,0,0,0|1,1,0]=4 105 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [1,1,0,0,0,0|1,1,0]=4 106 B6R0.2 O=C(O)CC(F)F AMY6157 [1,1,0,0,0,0|2,0,0]=4 107 B6R0.3 CC[C@@H](Br)C(=O)O AMY2458 [1,1,0,0,0,0|2,0,0]=4 108 B6R0.3 CC[C@H](Br)C(=O)O AM81433 [1,1,0,0,0,0|2,0,0]=4 109 B6R0.3 CC[C@H](C)C(=O)O AM802977 [1,1,0,0,0,0|2,0,0]=4 110 B6R0.3 CC[C@H](N)C(=O)O AM20080375 [1,1,0,0,0,0|2,0,0]=4 111 B6R0.3 CC[C@H](N)C(=O)O AM20090323 [1,1,0,0,0,0|2,0,0]=4 112 B6R0.3 CC[C@H](N)C(=O)O AM20090360 [1,1,0,0,0,0|2,0,0]=4 113 B6R0.3 CC[C@H](S)C(=O)O AMY2446 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.3 C[C@@H](CN)C(=O)O AMY22008 [1,1,0,0,0,0|2,0,0]=4 115 B6R0.3 C[C@@H](CO)C(=O)O AMY18825 [1,1,0,0,0,0|1,1,0]=4 116 B6R0.3 NC[C@H](N)C(=O)O AM20080367 [1,1,0,0,0,0|2,0,0]=4 117 B6R0.3 NC[C@H](N)C(=O)O AM20100354 [1,1,0,0,0,0|2,0,0]=4 118 B6R0.3 NC[C@H](N)C(=O)O AM20100470 [1,1,0,0,0,0|2,0,0]=4 119 B6R0.3 NC[C@H](O)C(=O)O AM1113 [1,1,0,0,0,0|2,0,0]=4 120 B6R0.3 NC[C@H](O)C(=O)O AM82574 [1,1,0,0,0,0|2,0,0]=4 121 B6R0.3 N[C@@H](CCl)C(=O)O AMY22074 [1,1,0,0,0,0|2,0,0]=4 122 B6R0.3 N[C@@H](CCl)C(=O)O AMY22075 [1,1,0,0,0,0|2,0,0]=4 123 B6R0.3 N[C@@H](CO)C(=O)O AM20090412 [1,1,0,0,0,0|1,1,0]=4 124 B6R0.3 N[C@@H](CO)C(=O)O AM20090441 [1,1,0,0,0,0|1,1,0]=4 125 B6R0.3 N[C@@H](CO)C(=O)O AM20100375 [1,1,0,0,0,0|1,1,0]=4 126 B6R0.3 N[C@@H](CS)C(=O)O AM20070682 [1,1,0,0,0,0|1,0,0]=3 127 B6R0.3 N[C@@H](CS)C(=O)O AM81647 [1,1,0,0,0,0|1,0,0]=3 128 B6R0.3 N[C@@H](CS)C(=O)O AM81648 [1,1,0,0,0,0|1,0,0]=3 129 B6R0.3 N[C@@H](CS)C(=O)O AM81649 [1,1,0,0,0,0|1,0,0]=3 130 B6R0.3 N[C@@H](CS)C(=O)O AM81651 [1,1,0,0,0,0|1,0,0]=3 131 B6R0.3 N[C@H](CCl)C(=O)O AMY19767 [1,1,0,0,0,0|2,0,0]=4 132 B6R0.3 O=C(O)[C@@H](Br)CBr AM20100466 [1,1,0,0,0,0|2,0,0]=4 133 B6R0.4 C=CCCC(=O)O AMY12553 [1,1,0,0,0,0|2,0,0]=4 134 B6R0.4 CCOCC(=O)O AMY4062 [1,1,0,0,0,0|2,0,0]=4 135 B6R0.4 CCSCC(=O)O AM20100532 [1,1,0,0,0,0|2,0,0]=4 136 B6R0.4 CNCCC(=O)O AM84855 [1,1,0,0,0,0|2,0,0]=4 137 B6R0.4 COCCC(=O)O AMY2689 [1,1,0,0,0,0|1,1,0]=4 138 B6R0.4 NCCCC(=O)O AM20100372 [1,1,0,0,0,0|2,0,0]=4 139 B6R0.4 O=C(O)CCCS AM20080221 [1,1,0,0,0,0|1,0,0]=3 140 B6R0.7 CN(C)S(=O)(=O)Cl AM20080241 [1,1,0,0,0,0|2,0,0]=4 141 B6R0.7 CN(C)S(N)(=O)=O AM20100051 [1,1,0,0,0,0|2,0,0]=4 142 B6R0.7 O=S(=O)([O-])C(F)F AMY37980 [1,1,0,0,0,0|1,0,1]=4 143 B6R0.8 C=CS(=O)(=O)CC AMY31560 [1,1,0,0,0,0|1,0,0]=3 144 B6R0.8 COS(=O)(=O)OC AMY40210 [1,1,0,0,0,0|1,0,0]=3 145 B8R0.21 CCCCCS(N)(=O)=O AMY35753 [0,2,0,0,0,0|2,0,0]=4 146 B8R0.21 CCCCOS(C)(=O)=O AMY3886 [0,2,0,0,0,0|2,0,0]=4 147 B8R0.21 CCOCCS(=O)(=O)Cl AMY41002 [0,2,0,0,0,0|1,1,0]=4 148 B8R0.21 COCCOS(C)(=O)=O AM778 [0,2,0,0,0,0|1,1,0]=4 149 B8R0.21 CS(=O)(=O)SCCC#N AM806671 [0,2,0,0,0,0|2,0,0]=4 150 B8R0.21 O=S(=O)(O)CCCCO AM9862 [0,2,0,0,0,0|0,1,0]=3 151 B8R0.21 O=S(=O)([O-])CCCCO AM10009 [0,2,0,0,0,0|0,1,1]=4 152 B8R0.24 CC[C@H](C)CS(=O)(=O)[O-] AMY3853 [0,2,0,0,0,0|1,0,1]=4 153 B8R0.24 O=S(=O)([O-])C[C@@H](S)CS AMY22488 [0,2,0,0,0,0|0,0,1]=3 154 B8R0.29 CS(=O)(=O)CCC(=O)O AM804191 [0,2,0,0,0,0|1,1,0]=4 155 B8R0.29 NS(=O)(=O)CCC(=O)O AM20080397 [0,2,0,0,0,0|1,1,0]=4 156 B6R1.2 O=C1CCSC1 AMY23378 [1,0,0,1,0,0|2,0,0]=4 157 B6R1.2 O[C@H]1CCSC1 AM20090505 [1,0,0,1,0,0|2,0,0]=4 158 B6R1.10 O=S1(=O)CCC1 AM20100397 [1,0,0,1,0,0|1,0,0]=3 159 B6R1.11 O=C(O)C1CC1 AM83282 [1,0,0,1,0,0|2,0,0]=4 160 B8R1.51 C[C@@H]1COS(=O)(=O)O1 AMY30214 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.51 C[C@H]1CCS(=O)(=O)O1 AMY1253 [0,1,0,1,0,0|1,0,0]=3 162 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 AMY37457 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.51 N[C@H]1CCS(=O)(=O)C1 AM85058 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.51 N[C@H]1CCS(=O)(=O)C1 AMY37458 [0,1,0,1,0,0|2,0,0]=4 165 B8R1.55 CS(=O)(=O)C1CNC1 AMY1813 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.55 CS(=O)(=O)C1CNC1 AMY1850 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.55 NS(=O)(=O)N1CCC1 AMY16895 [0,1,0,1,0,0|2,0,0]=4 168 B8R1.55 O=S(=O)(Cl)C1CCC1 AMY38409 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.55 O=S(=O)(Cl)N1CCC1 AMY39269 [0,1,0,1,0,0|2,0,0]=4 170 B8R1.56 NS(=O)(=O)CC1CC1 AMY7736 [0,1,0,1,0,0|2,0,0]=4 171 B8R1.72 O=S1(=O)CCCCN1 AM803804 [0,1,0,1,0,0|2,0,0]=4 172 B8R1.72 O=S1(=O)CCNCC1 AM20100461 [0,1,0,1,0,0|2,0,0]=4 173 B8R1.72 O=S1(=O)CCNCC1 AM84924 [0,1,0,1,0,0|2,0,0]=4 174 B8R1.70 CC1(S(N)(=O)=O)CC1 AMY5902 [0,1,0,1,0,0|2,0,0]=4 175 B8R1.70 NS(=O)(=O)C1(F)CC1 AMY5903 [0,1,0,1,0,0|2,0,0]=4