0 B8R1.21 CC1OC1P(O)(O)=O Amb22730952 [0,0,0,0,0,0|0,0,0]=0 1 B8R1.21 CC1OC1S(N)(=O)=O Amb25189035 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.21 C[C@@H]1O[C@@H]1P(=O)([O-])[O-] Amb17614610 [0,0,0,0,0,0|0,0,2]=2 3 B8R1.21 C[C@@H]1O[C@@H]1P(O)(=O)=O Amb22801578 [0,0,0,0,0,0|0,0,2]=2 4 B8R1.21 C[C@@H]1O[C@@H]1P(O)(O)=O Amb22167220 [0,0,0,0,0,0|0,0,0]=0 5 B8R1.21 C[C@@H]1O[C@@H]1P(O)(O)=O Amb25328384 [0,0,0,0,0,0|0,0,0]=0 6 B8R1.21 C[C@@H]1O[C@@H]1S(N)(=O)=O Amb24423507 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.21 C[C@H]1O[C@H]1P([O-])([O-])=O Amb20242706 [0,0,0,0,0,0|0,0,2]=2 8 B8R1.21 [13CH3][13CH]1O[13CH]1P(=O)(O)O Amb17614611 [0,0,0,0,0,0|0,0,0]=0 9 B7R1.12 CC1CC1C(C)=O Amb25720437 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.12 CC1CC1C(C)O Amb25849677 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.12 CC1CC1[C@@H](C)O Amb24683424 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.12 CC1CC1[C@H](C)O Amb25271040 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.12 CC1OC1C(=O)O Amb17593088 [1,0,0,0,0,0|1,0,0]=2 14 B7R1.12 CC1OC1C(C)O Amb24687071 [1,0,0,0,0,0|2,0,0]=3 15 B7R1.12 CC1OC1[C@H](C)O Amb24529514 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.12 CC1SC1C(C)=O Amb24333031 [1,0,0,0,0,0|2,1,0]=4 17 B7R1.12 C[C@@H]1C[C@@H]1B(O)O Amb24329037 [1,0,0,0,0,0|2,0,0]=3 18 B7R1.12 C[C@@H]1C[C@@H]1C(C)=O Amb24670522 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.12 C[C@@H]1C[C@@H]1C(N)=O Amb25745425 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.12 C[C@@H]1C[C@@H]1C(O)=O Amb25851678 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.12 C[C@@H]1C[C@H]1B(O)O Amb24330179 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl Amb13883573 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.12 C[C@@H]1C[C@H]1C(C)O Amb24714696 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.12 C[C@@H]1C[C@H]1C(O)=O Amb22735875 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.12 C[C@@H]1N[C@H]1C(O)=O Amb24120621 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.12 C[C@@H]1O[C@@H]1[C@@H](C)O Amb24630796 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.12 C[C@@H]1O[C@@H]1[C@H](C)O Amb25176663 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.12 C[C@@H]1O[C@H]1C(C)Br Amb25179247 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.12 C[C@@H]1O[C@H]1C(O)=O Amb25738149 [1,0,0,0,0,0|1,0,0]=2 30 B7R1.12 C[C@@H]1O[C@H]1[C@@H](C)O Amb24570001 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.12 C[C@@H]1S[C@H]1C(C)=O Amb24374150 [1,0,0,0,0,0|2,1,0]=4 32 B7R1.12 C[C@H]1C[C@@H]1B(O)O Amb24608885 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.12 C[C@H]1C[C@@H]1C(O)=O Amb22735974 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.12 C[C@H]1C[C@H]1B(O)O Amb24515113 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.12 C[C@H]1C[C@H]1C(=O)O Amb16233326 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.12 C[C@H]1C[C@H]1C(C)=O Amb25236374 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.12 C[C@H]1C[C@H]1C(C)O Amb24593507 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.12 C[C@H]1C[C@H]1[C@@H](C)O Amb25026747 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.12 C[C@H]1O[C@@H]1C(C)O Amb25173891 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.12 C[C@H]1O[C@H]1C(C)Br Amb24710261 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.12 C[C@H]1O[C@H]1C(C)O Amb24597224 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.12 C[C@H]1O[C@H]1[C@H](C)O Amb24671875 [1,0,0,0,0,0|2,0,0]=3 43 B7R1.12 N[C@@H]1C[C@@H]1C(O)=O Amb25708637 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.12 N[C@@H]1C[C@H]1C(=O)O Amb2372566 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.12 N[C@H]1C[C@@H]1C(O)=O Amb25204284 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.12 OB(O)C1CC1Br Amb24314265 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.12 OC(=O)C1CC1F Amb22490547 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.12 OC(=O)C1CC1S Amb20246988 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.12 OC(=O)[C@@H]1C[C@@H]1Cl Amb25209184 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.12 OC(=O)[C@@H]1C[C@@H]1F Amb22737600 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.12 OC(=O)[C@@H]1C[C@@H]1I Amb22756600 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.12 OC(=O)[C@@H]1C[C@H]1Br Amb24570997 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.12 OC(=O)[C@@H]1C[C@H]1F Amb22737604 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.12 OC(=O)[C@H]1C[C@@H]1F Amb22736113 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.12 OC(=O)[C@H]1C[C@H]1F Amb22738580 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.12 OC(=O)[C@H]1C[C@H]1I Amb22736654 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.12 OC1CC1C(O)=O Amb24360896 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.26 CC(C)(O)C1CO1 Amb24504945 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.26 OP(O)(=O)C1CN1 Amb22053806 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.65 C[C@H]1C[C@]1(N)P(O)(O)=O Amb25233026 [0,1,0,0,0,0|1,0,0]=2 61 B9R1.87 NCC1CC1S(O)(=O)=O Amb24513720 [0,1,0,0,0,0|2,0,1]=4 62 B9R1.87 NC[C@@H]1C[C@H]1S(O)(=O)=O Amb25307974 [0,1,0,0,0,0|2,0,1]=4 63 B9R1.87 NC[C@H]1C[C@H]1S(O)(=O)=O Amb24562931 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.142 CC1(C)OC1S(C)(=O)=O Amb23585100 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.8 CCCCB(O)(O)O Amb24422846 [0,0,1,0,0,0|2,0,1]=4 66 B7R0.8 CCCCP(O)(O)=O Amb22053921 [0,0,1,0,0,0|1,0,0]=2 67 B7R0.8 CCCCS(=O)(=O)O Amb10844727 [0,0,1,0,0,0|2,0,1]=4 68 B7R0.8 CCCCS(O)(=O)=O Amb22269868 [0,0,1,0,0,0|2,0,1]=4 69 B7R0.8 CCCC[B-](O)(O)O Amb24457030 [0,0,1,0,0,0|2,0,1]=4 70 B7R0.8 CCCC[Sn](O)(O)Cl Amb19894194 [0,0,1,0,0,0|3,0,0]=4 71 B7R0.8 CCCOP(C)(O)=O Amb24553958 [0,0,1,0,0,0|3,0,0]=4 72 B7R0.8 CCNCP(=O)(O)O Amb2233009 [0,0,1,0,0,0|1,0,0]=2 73 B7R0.8 CCNCS(O)(=O)=O Amb25324324 [0,0,1,0,0,0|2,0,1]=4 74 B7R0.8 CCOCC(C)(C)O Amb17940394 [0,0,1,0,0,0|3,0,0]=4 75 B7R0.8 CC\C=C\P(O)(O)=O Amb22388769 [0,0,1,0,0,0|1,0,1]=3 76 B7R0.8 CP(O)(=O)CCCO Amb24448096 [0,0,1,0,0,0|3,0,0]=4 77 B7R0.8 NCCNP(O)(O)=O Amb25313431 [0,0,1,0,0,0|3,0,0]=4 78 B7R0.8 NCCSP(O)(O)=O Amb22349664 [0,0,1,0,0,0|3,0,0]=4 79 B7R0.8 NC\C=C\P(O)(O)=O Amb24385147 [0,0,1,0,0,0|2,0,1]=4 80 B7R0.8 NNCCP(O)(O)=O Amb25784125 [0,0,1,0,0,0|3,0,0]=4 81 B7R0.8 OCCNP(O)(O)=O Amb25831960 [0,0,1,0,0,0|3,0,0]=4 82 B7R0.8 OP(O)(=O)CCC=O Amb25350486 [0,0,1,0,0,0|2,0,1]=4 83 B7R0.8 OP(O)(=O)CCCCl Amb22388825 [0,0,1,0,0,0|2,0,0]=3 84 B7R0.8 OP(O)(=O)CNC=O Amb24452772 [0,0,1,0,0,0|2,0,1]=4 85 B7R0.8 OP(O)(=O)OCCBr Amb24724146 [0,0,1,0,0,0|3,0,0]=4 86 B7R0.8 OP(O)(=O)OCCCl Amb22228751 [0,0,1,0,0,0|3,0,0]=4 87 B7R0.8 OP(O)(=O)OCCCl Amb24481418 [0,0,1,0,0,0|3,0,0]=4 88 B7R0.9 CC(=O)CP(O)(O)=O Amb24706713 [0,0,1,0,0,0|0,0,2]=3 89 B7R0.9 CC(=O)OP(O)(O)=O Amb17673331 [0,0,1,0,0,0|1,0,2]=4 90 B7R0.9 CC(=O)OP(O)(O)=O Amb22733227 [0,0,1,0,0,0|1,0,2]=4 91 B7R0.9 CC(C)OP(O)(O)=O Amb22493772 [0,0,1,0,0,0|2,0,0]=3 92 B7R0.9 CC(CS(=O)(=O)O)O Amb17593541 [0,0,1,0,0,0|1,0,1]=3 93 B7R0.9 CC(Cl)CP(=O)(Cl)Cl Amb24373200 [0,0,1,0,0,0|3,0,0]=4 94 B7R0.9 CC(Cl)CP(O)(O)=O Amb25169519 [0,0,1,0,0,0|1,0,0]=2 95 B7R0.9 CC(N)=NP(O)(O)=O Amb25339526 [0,0,1,0,0,0|2,0,1]=4 96 B7R0.9 CC(N)CP(C)(O)=O Amb24482995 [0,0,1,0,0,0|2,0,0]=3 97 B7R0.9 CC(O)CS(=O)(=O)Cl Amb25032356 [0,0,1,0,0,0|2,0,1]=4 98 B7R0.9 CC(O)CS(C)(=O)=O Amb21988449 [0,0,1,0,0,0|2,0,1]=4 99 B7R0.9 CC(OP(=O)(O)C)C Amb10842159 [0,0,1,0,0,0|3,0,0]=4 100 B7R0.9 CC(S)CS(O)(=O)=O Amb24543740 [0,0,1,0,0,0|1,1,1]=4 101 B7R0.9 C[C@@H](N)CP(C)(O)=O Amb24460368 [0,0,1,0,0,0|2,0,0]=3 102 B7R0.9 C[C@@H](N)CP(O)(O)=O Amb25338674 [0,0,1,0,0,0|1,0,0]=2 103 B7R0.9 C[C@@H](N)CS(O)(=O)=O Amb24670475 [0,0,1,0,0,0|2,0,1]=4 104 B7R0.9 C[C@@H](O)CP(O)(O)=O Amb24334038 [0,0,1,0,0,0|0,0,0]=1 105 B7R0.9 C[C@H](CC(O)(C)C)O Amb10606102 [0,0,1,0,0,0|3,0,0]=4 106 B7R0.9 C[C@H](N)CS(O)(=O)=O Amb25760668 [0,0,1,0,0,0|2,0,1]=4 107 B7R0.9 C[C@H](O)CC(C)(C)O Amb20669803 [0,0,1,0,0,0|3,0,0]=4 108 B7R0.9 C[C@H](O)CP(O)(O)=O Amb25715996 [0,0,1,0,0,0|0,0,0]=1 109 B7R0.9 NC(=O)CP(O)(O)=O Amb24481466 [0,0,1,0,0,0|1,0,2]=4 110 B7R0.9 OB(O)CP(O)(O)=O Amb25852887 [0,0,1,0,0,0|2,0,0]=3 111 B7R0.14 C=C(CN)P(O)(O)=O Amb25113500 [0,0,1,0,0,0|2,0,1]=4 112 B7R0.14 CC(C=O)P(O)(O)=O Amb24481584 [0,0,1,0,0,0|2,0,1]=4 113 B7R0.14 CC(CO)P(O)(O)=O Amb25135495 [0,0,1,0,0,0|2,0,0]=3 114 B7R0.14 CCC(=C)P(O)(O)=O Amb22831916 [0,0,1,0,0,0|1,0,1]=3 115 B7R0.14 CCC(C)S(O)(=O)=O Amb22372234 [0,0,1,0,0,0|2,0,1]=4 116 B7R0.14 CCC(Cl)P(C)(C)=O Amb24457975 [0,0,1,0,0,0|3,0,0]=4 117 B7R0.14 CCC(Cl)S(O)(=O)=O Amb24627108 [0,0,1,0,0,0|2,0,1]=4 118 B7R0.14 CCC(N)C(N)(O)O Amb25810948 [0,0,1,0,0,0|3,0,0]=4 119 B7R0.14 CCC(N)S(O)(=O)=O Amb24558367 [0,0,1,0,0,0|2,0,1]=4 120 B7R0.14 CCC(O)C(N)(O)O Amb24445181 [0,0,1,0,0,0|2,0,0]=3 121 B7R0.14 CCC(O)P(O)(O)=O Amb24354457 [0,0,1,0,0,0|0,0,0]=1 122 B7R0.14 CCC(P(=O)(O)O)C Amb10560197 [0,0,1,0,0,0|1,0,0]=2 123 B7R0.14 CCC(S(=O)(=O)[O-])O Amb2196490 [0,0,1,0,0,0|1,0,2]=4 124 B7R0.14 CC[C@@H](Cl)P(O)(O)=O Amb24332616 [0,0,1,0,0,0|1,0,0]=2 125 B7R0.14 CC[C@H](O)C(C)(C)O Amb24615386 [0,0,1,0,0,0|3,0,0]=4 126 B7R0.14 CNC(=O)P(O)(O)=O Amb24715894 [0,0,1,0,0,0|1,0,2]=4 127 B7R0.14 CNC(C)P(O)(O)=O Amb25223984 [0,0,1,0,0,0|2,0,0]=3 128 B7R0.14 COC(=O)P(O)(O)=O Amb22388745 [0,0,1,0,0,0|1,0,2]=4 129 B7R0.14 CP(O)(=O)C(N)CO Amb25809584 [0,0,1,0,0,0|3,0,0]=4 130 B7R0.14 ClCC(S(=O)(=O)O)O Amb17594012 [0,0,1,0,0,0|2,0,1]=4 131 B7R0.14 N#CC(O)P(O)(O)=O Amb24502251 [0,0,1,0,0,0|1,0,1]=3 132 B7R0.14 NC(CBr)P(O)(O)=O Amb24374007 [0,0,1,0,0,0|2,0,0]=3 133 B7R0.14 NC(CF)P(O)(O)=O Amb25117594 [0,0,1,0,0,0|2,0,0]=3 134 B7R0.14 NC(CS)P(O)(O)=O Amb24740823 [0,0,1,0,0,0|2,0,0]=3 135 B7R0.14 NC[C@@H](O)P(O)(O)=O Amb25293388 [0,0,1,0,0,0|1,0,0]=2 136 B7R0.14 NC[C@H](Br)P(O)(O)=O Amb24401576 [0,0,1,0,0,0|2,0,0]=3 137 B7R0.14 NC[C@H](O)P(O)(O)=O Amb24333105 [0,0,1,0,0,0|1,0,0]=2 138 B7R0.14 N[C@@H](CO)P(O)(O)=O Amb25211599 [0,0,1,0,0,0|2,0,0]=3 139 B7R0.14 OC(C=O)P(O)(O)=O Amb25081170 [0,0,1,0,0,0|1,0,1]=3 140 B7R0.14 OP(O)(=O)C(Cl)C=O Amb25783928 [0,0,1,0,0,0|2,0,1]=4 141 B9R2.120 CC1(C)OCC2OC12 Amb24061720 [0,0,0,1,0,0|3,0,0]=4 142 B9R1.47 CC1OC1CS(=O)(=O)Cl Amb24716553 [0,0,0,0,0,1|2,0,1]=4 143 B9R1.51 NC1CC(C1)P(O)(O)=O Amb25328470 [0,0,0,0,0,1|2,0,0]=3 144 B6R0.4 CCCCB(O)O Amb2447142 [1,0,1,0,0,0|2,0,0]=4 145 B6R0.4 CCCCC(O)O Amb24687253 [1,0,1,0,0,0|2,0,0]=4 146 B6R0.4 CCCC[13C](O)=O Amb22367454 [1,0,1,0,0,0|2,0,0]=4 147 B6R0.4 CCCC[Sn](O)=O Amb22336393 [1,0,1,0,0,0|2,0,0]=4 148 B6R0.4 CCCOP(O)=O Amb25366595 [1,0,1,0,0,0|2,0,0]=4 149 B6R0.4 CCNCC(=O)O Amb10609667 [1,0,1,0,0,0|2,0,0]=4 150 B6R0.4 CCOCB(O)O Amb25356792 [1,0,1,0,0,0|1,0,0]=3 151 B6R0.4 CCOC[C@H](C)O Amb25067464 [1,0,1,0,0,0|2,0,0]=4 152 B6R0.4 CCSCC(=O)O Amb1125185 [1,0,1,0,0,0|1,1,0]=4 153 B6R0.4 CNOCC(O)=O Amb25104714 [1,0,1,0,0,0|2,0,0]=4 154 B6R0.4 NCCCP(O)=O Amb22370049 [1,0,1,0,0,0|2,0,0]=4 155 B6R0.5 C=CCP(O)(O)=O Amb24120618 [1,0,1,0,0,0|0,0,2]=4 156 B6R0.5 C=COP(O)(O)=O Amb24599401 [1,0,1,0,0,0|0,0,2]=4 157 B6R0.5 CCCC(N)(O)O Amb24480396 [1,0,1,0,0,0|2,0,0]=4 158 B6R0.5 CCCP(=O)(Cl)Cl Amb22053922 [1,0,1,0,0,0|2,0,0]=4 159 B6R0.5 CCCP(O)(O)=O Amb22230045 [1,0,1,0,0,0|0,0,0]=2 160 B6R0.5 CCOC(C)(O)O Amb25367123 [1,0,1,0,0,0|2,0,0]=4 161 B6R0.5 CCOP(=O)(C)[S-] Amb15772345 [1,0,1,0,0,0|1,1,0]=4 162 B6R0.5 CCOP(C)(O)=O Amb17673498 [1,0,1,0,0,0|1,0,0]=3 163 B6R0.5 CCOP(C)(O)=S Amb22366929 [1,0,1,0,0,0|1,1,0]=4 164 B6R0.5 CCOP(O)(=O)F Amb24609989 [1,0,1,0,0,0|1,0,0]=3 165 B6R0.5 CCOP(O)(O)=O Amb22230660 [1,0,1,0,0,0|0,0,0]=2 166 B6R0.5 COCP(O)(O)=O Amb24580709 [1,0,1,0,0,0|0,0,0]=2 167 B6R0.5 CP(O)(=O)CCO Amb25085578 [1,0,1,0,0,0|1,0,0]=3 168 B6R0.5 C\C=C/P(O)(O)=O Amb22234303 [1,0,1,0,0,0|0,0,2]=4 169 B6R0.5 C\C=C\P(O)(O)=O Amb24480500 [1,0,1,0,0,0|0,0,2]=4 170 B6R0.5 NNCP(O)(O)=O Amb25708740 [1,0,1,0,0,0|2,0,0]=4 171 B6R0.5 NP(O)(=O)NCO Amb24675238 [1,0,1,0,0,0|2,0,0]=4 172 B6R0.5 OCCP(O)(O)=O Amb22388824 [1,0,1,0,0,0|0,0,0]=2 173 B6R0.5 OCCS(O)(=O)=O Amb22274016 [1,0,1,0,0,0|1,0,1]=4 174 B6R0.5 OCCS(O)(=O)=O Amb22360755 [1,0,1,0,0,0|1,0,1]=4 175 B6R0.5 OCCS(O)(=O)=O Amb22751389 [1,0,1,0,0,0|1,0,1]=4 176 B6R0.5 OP(O)(=S)CCCl Amb24364807 [1,0,1,0,0,0|1,1,0]=4 177 B6R0.2 CC(C)C[13C](O)=O Amb22336513 [1,0,1,0,0,0|2,0,0]=4 178 B6R0.2 CC(CC(=O)C)O Amb17593091 [1,0,1,0,0,0|2,0,0]=4 179 B6R0.2 CC(CC(O)C)O Amb10068523 [1,0,1,0,0,0|2,0,0]=4 180 B6R0.2 CC(Cl)CP(O)O Amb25061243 [1,0,1,0,0,0|1,0,1]=4 181 B6R0.2 CC(F)CC(O)=O Amb24561809 [1,0,1,0,0,0|2,0,0]=4 182 B6R0.2 CC(N)CC(O)=O Amb19888354 [1,0,1,0,0,0|2,0,0]=4 183 B6R0.2 CC(O)CC(O)=O Amb22348403 [1,0,1,0,0,0|1,0,0]=3 184 B6R0.2 CC(O)CC(O)O Amb25716084 [1,0,1,0,0,0|1,0,0]=3 185 B6R0.2 CC(O)CP(O)=O Amb24406357 [1,0,1,0,0,0|0,0,0]=2 186 B6R0.2 CC(S)CC(O)=O Amb18281031 [1,0,1,0,0,0|1,1,0]=4 187 B6R0.2 CN(O)CC(O)=O Amb24732008 [1,0,1,0,0,0|2,0,0]=4 188 B6R0.2 C[13CH](O)C[13C]([O-])=O Amb22338641 [1,0,1,0,0,0|1,0,1]=4 189 B6R0.2 C[C@@H](CC(=O)O)N Amb16184012 [1,0,1,0,0,0|2,0,0]=4 190 B6R0.2 C[C@@H](O)CC(C)O Amb25083401 [1,0,1,0,0,0|2,0,0]=4 191 B6R0.2 C[C@@H](O)CC(N)=O Amb25746564 [1,0,1,0,0,0|2,0,0]=4 192 B6R0.2 C[C@@H](S)CC(O)=O Amb24480921 [1,0,1,0,0,0|1,1,0]=4 193 B6R0.2 C[C@H](Br)CC(O)=O Amb24432019 [1,0,1,0,0,0|2,0,0]=4 194 B6R0.2 C[C@H](CC(=O)O)N Amb16184009 [1,0,1,0,0,0|2,0,0]=4 195 B6R0.2 C[C@H](Cl)CC(O)=O Amb25259323 [1,0,1,0,0,0|2,0,0]=4 196 B6R0.2 C[C@H](F)CC(O)=O Amb24586490 [1,0,1,0,0,0|2,0,0]=4 197 B6R0.2 C[C@H](O)CC(C)=O Amb24334071 [1,0,1,0,0,0|2,0,0]=4 198 B6R0.2 C[C@H](O)CC(C)O Amb25381310 [1,0,1,0,0,0|2,0,0]=4 199 B6R0.2 C[C@H](O)CC(O)=O Amb22232025 [1,0,1,0,0,0|1,0,0]=3 200 B6R0.2 C[C@H](O)C[C@H](C)O Amb20242416 [1,0,1,0,0,0|2,0,0]=4 201 B6R0.2 C[C@H](S)CC(O)=O Amb25190038 [1,0,1,0,0,0|1,1,0]=4 202 B6R0.2 N[C@@H](CC(=O)O)O Amb16232006 [1,0,1,0,0,0|2,0,0]=4 203 B6R0.2 OB(CC(C)C)O Amb2447316 [1,0,1,0,0,0|2,0,0]=4 204 B6R0.2 [13CH3]C(O)[13CH2]C([O-])=O Amb22351144 [1,0,1,0,0,0|1,0,1]=4 205 B6R0.2 [O-]C(=O)C[C@@H](O)C Amb10844672 [1,0,1,0,0,0|1,0,1]=4 206 B6R0.3 CCC(B(O)O)C Amb10071974 [1,0,1,0,0,0|2,0,0]=4 207 B6R0.3 CCC(C(=O)O)S Amb17501370 [1,0,1,0,0,0|1,1,0]=4 208 B6R0.3 CCC(C(O)C)O Amb2227553 [1,0,1,0,0,0|2,0,0]=4 209 B6R0.3 CCC(F)C(O)=O Amb25716167 [1,0,1,0,0,0|2,0,0]=4 210 B6R0.3 CCC(N)P(O)=O Amb25269903 [1,0,1,0,0,0|1,0,0]=3 211 B6R0.3 CCC(O)C(C)=O Amb25336501 [1,0,1,0,0,0|2,0,0]=4 212 B6R0.3 CCC(O)C(N)=O Amb24116514 [1,0,1,0,0,0|2,0,0]=4 213 B6R0.3 CCC(O)C(O)=O Amb22352315 [1,0,1,0,0,0|1,0,0]=3 214 B6R0.3 CCC(O)C(O)=O Amb22360643 [1,0,1,0,0,0|1,0,0]=3 215 B6R0.3 CCC(O)C([O-])=O Amb17943026 [1,0,1,0,0,0|1,0,1]=4 216 B6R0.3 CCC(O)C([O-])=O Amb24325325 [1,0,1,0,0,0|1,0,1]=4 217 B6R0.3 CCC(O)P(O)=O Amb25169578 [1,0,1,0,0,0|0,0,0]=2 218 B6R0.3 CC[C@@H](Cl)C(O)=O Amb22800493 [1,0,1,0,0,0|2,0,0]=4 219 B6R0.3 CC[C@@H](F)C(O)=O Amb24669143 [1,0,1,0,0,0|2,0,0]=4 220 B6R0.3 CC[C@@H](O)C(C)=O Amb25108045 [1,0,1,0,0,0|2,0,0]=4 221 B6R0.3 CC[C@@H](O)C(O)=O Amb22369401 [1,0,1,0,0,0|1,0,0]=3 222 B6R0.3 CC[C@H](Br)C(O)=O Amb20242441 [1,0,1,0,0,0|2,0,0]=4 223 B6R0.3 CC[C@H](C(=O)O)N Amb16233349 [1,0,1,0,0,0|2,0,0]=4 224 B6R0.3 CC[C@H](C)B(O)O Amb25746615 [1,0,1,0,0,0|2,0,0]=4 225 B6R0.3 CC[C@H](Cl)C(O)=O Amb25190040 [1,0,1,0,0,0|2,0,0]=4 226 B6R0.3 CC[C@H](F)C(O)=O Amb24479776 [1,0,1,0,0,0|2,0,0]=4 227 B6R0.3 CC[C@H](O)C(C)=O Amb24332700 [1,0,1,0,0,0|2,0,0]=4 228 B6R0.3 CC[C@H](O)C(N)=O Amb25858046 [1,0,1,0,0,0|2,0,0]=4 229 B6R0.3 COC(O)C(O)=O Amb24479754 [1,0,1,0,0,0|2,0,0]=4 230 B6R0.3 NC(CS)P(O)=O Amb25772157 [1,0,1,0,0,0|2,0,0]=4 231 B6R0.3 NCC(O)C(O)O Amb24597415 [1,0,1,0,0,0|2,0,0]=4 232 B6R0.3 NC[C@@H](O)C(O)=O Amb22169412 [1,0,1,0,0,0|2,0,0]=4 233 B6R0.3 OC(CBr)C(O)=O Amb24061932 [1,0,1,0,0,0|2,0,0]=4 234 B6R0.3 OC(CCl)P(O)=O Amb25069434 [1,0,1,0,0,0|1,0,0]=3 235 B6R0.3 OC(CS)C(O)=O Amb18642053 [1,0,1,0,0,0|2,0,0]=4 236 B6R0.3 OC(O)[C@@H](O)CO Amb24480839 [1,0,1,0,0,0|2,0,0]=4 237 B6R0.3 OC(O)[C@H](O)CO Amb25317667 [1,0,1,0,0,0|2,0,0]=4 238 B6R0.3 OCC(C(=O)O)O Amb17593103 [1,0,1,0,0,0|2,0,0]=4 239 B6R0.3 OC[C@H](O)C(O)=O Amb22226732 [1,0,1,0,0,0|2,0,0]=4 240 B6R0.3 O[C@@H](CCl)C(O)=O Amb22225325 [1,0,1,0,0,0|2,0,0]=4 241 B6R0.3 O[C@@H](CF)C(O)=O Amb24117272 [1,0,1,0,0,0|2,0,0]=4 242 B6R0.3 O[C@@H](CS)C(O)=O Amb24428282 [1,0,1,0,0,0|2,0,0]=4 243 B6R0.3 O[C@H](CCl)C(O)=O Amb22388611 [1,0,1,0,0,0|2,0,0]=4 244 B6R0.3 [13CH3][13CH2][13CH](O)[13C](O)=O Amb22350316 [1,0,1,0,0,0|1,0,0]=3 245 B6R0.7 CC(=C)P(O)(O)=O Amb22388780 [1,0,1,0,0,0|1,0,1]=4 246 B6R0.7 CC(=O)P(O)(O)=O Amb25229259 [1,0,1,0,0,0|0,0,2]=4 247 B6R0.7 CC(Cl)P(O)(O)=O Amb25774503 [1,0,1,0,0,0|1,0,0]=3 248 B6R0.7 CC(O)P(O)(O)=O Amb22832005 [1,0,1,0,0,0|0,0,0]=2 249 B6R0.7 CN(C)P(O)(O)=O Amb24604756 [1,0,1,0,0,0|2,0,0]=4 250 B6R0.7 OC(O)P(O)(O)=O Amb24333815 [1,0,1,0,0,0|1,0,0]=3 251 B6R0.7 OP(O)(=O)C(Cl)Cl Amb25286944 [1,0,1,0,0,0|2,0,0]=4 252 B6R1.8 CC1CC1C=O Amb20622289 [2,0,0,0,0,0|2,0,0]=4 253 B6R1.8 CC1OC1C=O Amb24728876 [2,0,0,0,0,0|1,0,0]=3 254 B6R1.8 CC1OC1CBr Amb25275044 [2,0,0,0,0,0|2,0,0]=4 255 B6R1.8 CC1OC1CCl Amb24478412 [2,0,0,0,0,0|2,0,0]=4 256 B6R1.8 CC1OC1CN Amb25139473 [2,0,0,0,0,0|2,0,0]=4 257 B6R1.8 CC1O[C@H]1CO Amb25146658 [2,0,0,0,0,0|1,0,0]=3 258 B6R1.8 CCC1OC1C Amb1141391 [2,0,0,0,0,0|2,0,0]=4 259 B6R1.8 C[C@@H]1C[C@@H]1C=O Amb25662825 [2,0,0,0,0,0|2,0,0]=4 260 B6R1.8 C[C@@H]1C[C@@H]1CO Amb24519750 [2,0,0,0,0,0|2,0,0]=4 261 B6R1.8 C[C@@H]1C[C@H]1C=O Amb24569326 [2,0,0,0,0,0|2,0,0]=4 262 B6R1.8 C[C@@H]1C[C@H]1CO Amb22886842 [2,0,0,0,0,0|2,0,0]=4 263 B6R1.8 C[C@@H]1O[C@H]1CCl Amb24760813 [2,0,0,0,0,0|2,0,0]=4 264 B6R1.8 C[C@H]1C[C@@H]1C=O Amb24617263 [2,0,0,0,0,0|2,0,0]=4 265 B6R1.8 C[C@H]1O[C@@H]1C=O Amb25025768 [2,0,0,0,0,0|1,0,0]=3 266 B6R1.8 C[C@H]1O[C@H]1C=O Amb25207058 [2,0,0,0,0,0|1,0,0]=3 267 B6R1.8 C[C@H]1O[C@H]1CO Amb24514794 [2,0,0,0,0,0|1,0,0]=3 268 B6R1.11 CC(=O)[C@H]1CO1 Amb24628197 [2,0,0,0,0,0|2,0,0]=4 269 B6R1.11 CC(C1CO1)O Amb17593033 [2,0,0,0,0,0|2,0,0]=4 270 B6R1.11 CC(O)[C@H]1CO1 Amb24531369 [2,0,0,0,0,0|2,0,0]=4 271 B6R1.11 C[C@@H](O)C1CO1 Amb25146411 [2,0,0,0,0,0|2,0,0]=4 272 B6R1.11 C[C@H](O)[C@@H]1CO1 Amb25176470 [2,0,0,0,0,0|2,0,0]=4 273 B6R1.11 N[13C](=O)[13CH]1[13CH2]O1 Amb17614804 [2,0,0,0,0,0|2,0,0]=4 274 B6R1.11 OB(C1CC1)O Amb2455832 [2,0,0,0,0,0|2,0,0]=4 275 B6R1.11 OC(=O)C1CN1 Amb21864773 [2,0,0,0,0,0|2,0,0]=4 276 B6R1.11 OC(=O)C1CS1 Amb24641854 [2,0,0,0,0,0|1,1,0]=4 277 B6R1.11 OC(=O)[C@@H]1CN1 Amb22745452 [2,0,0,0,0,0|2,0,0]=4 278 B6R1.11 OS(=O)C1CC1 Amb24334290 [2,0,0,0,0,0|2,0,0]=4 279 B6R1.11 [O-]C(=O)C1CO1 Amb22492453 [2,0,0,0,0,0|1,0,1]=4 280 B6R1.11 [O-]C(=O)[C@@H]1CO1 Amb22503671 [2,0,0,0,0,0|1,0,1]=4 281 B6R1.11 [O-]C(=O)[C@H]1CO1 Amb22503672 [2,0,0,0,0,0|1,0,1]=4 282 B8R0.14 CCCC(Cl)P(O)(O)=O Amb25810769 [0,1,1,0,0,0|1,0,0]=3 283 B8R0.14 CCC[C@@H](Cl)P(O)(O)=O Amb24649962 [0,1,1,0,0,0|1,0,0]=3 284 B8R0.14 CCC[C@@H](N)P(O)(O)=O Amb25097147 [0,1,1,0,0,0|1,0,0]=3 285 B8R0.14 CCC[C@H](O)P(O)(O)=O Amb25052190 [0,1,1,0,0,0|1,0,0]=3 286 B8R0.14 CCOC(=O)P(=O)(O)[O-] Amb2242146 [0,1,1,0,0,0|0,0,2]=4 287 B8R0.14 CNCC(N)P(O)(O)=O Amb25829146 [0,1,1,0,0,0|2,0,0]=4 288 B8R0.14 CNC[C@@H](N)P(O)(O)=O Amb25118760 [0,1,1,0,0,0|2,0,0]=4 289 B8R0.14 COCC(N)P(O)(O)=O Amb25682729 [0,1,1,0,0,0|2,0,0]=4 290 B8R0.14 C\C=C\C(O)P(O)(O)=O Amb24749797 [0,1,1,0,0,0|1,0,1]=4 291 B8R0.14 NC(CCS)P(O)(O)=O Amb25088296 [0,1,1,0,0,0|2,0,0]=4 292 B8R0.14 N[C@H](CCO)P(O)(O)=O Amb24443042 [0,1,1,0,0,0|2,0,0]=4 293 B8R0.14 OC(CCF)P(O)(O)=O Amb24395313 [0,1,1,0,0,0|2,0,0]=4 294 B8R0.14 OCCC(Cl)P(O)(O)=O Amb24528737 [0,1,1,0,0,0|2,0,0]=4 295 B8R0.21 CCCCNP(O)(O)=S Amb24612022 [0,1,1,0,0,0|1,1,0]=4 296 B8R0.21 CCCCOP(C)(O)=O Amb25249300 [0,1,1,0,0,0|2,0,0]=4 297 B8R0.21 CCCCOP(O)(O)=O Amb24419212 [0,1,1,0,0,0|1,0,0]=3 298 B8R0.21 CCCNCP(C)(O)=O Amb25109293 [0,1,1,0,0,0|2,0,0]=4 299 B8R0.21 CCCNCP(O)(O)=O Amb25691405 [0,1,1,0,0,0|1,0,0]=3 300 B8R0.21 CNCCOP(O)(O)=O Amb25785079 [0,1,1,0,0,0|2,0,0]=4 301 B8R0.21 COCCOP(O)(O)=O Amb25366442 [0,1,1,0,0,0|2,0,0]=4 302 B8R0.21 NCCCOP(O)(O)=O Amb20242514 [0,1,1,0,0,0|2,0,0]=4 303 B8R0.21 NCCNCP(O)(O)=O Amb24479949 [0,1,1,0,0,0|1,0,0]=3 304 B8R0.21 OCCCCP(O)(O)=O Amb25188984 [0,1,1,0,0,0|1,0,0]=3 305 B8R0.21 OCCNCP(O)(O)=O Amb24479951 [0,1,1,0,0,0|1,0,0]=3 306 B8R0.21 OCC\C=C\P(O)(O)=O Amb24698618 [0,1,1,0,0,0|1,0,1]=4 307 B8R0.21 ONCCCP(=O)(O)O Amb17615049 [0,1,1,0,0,0|2,0,0]=4 308 B8R0.21 OP(O)(=O)CCCCBr Amb22832006 [0,1,1,0,0,0|1,0,0]=3 309 B8R0.21 OP(O)(=O)CCCCCl Amb22388731 [0,1,1,0,0,0|1,0,0]=3 310 B8R0.21 OP(O)(=O)OCCCCl Amb24602485 [0,1,1,0,0,0|2,0,0]=4 311 B8R0.24 CCC(=O)OP(O)(O)=O Amb25251397 [0,1,1,0,0,0|2,0,0]=4 312 B8R0.24 CCC(Cl)CP(O)(O)=O Amb25724957 [0,1,1,0,0,0|1,0,0]=3 313 B8R0.24 CNC(=N)CP(O)(O)=O Amb25055801 [0,1,1,0,0,0|2,0,0]=4 314 B8R0.24 CNC(C)CP(O)(O)=O Amb24381561 [0,1,1,0,0,0|2,0,0]=4 315 B8R0.24 NCC(O)CP(O)(O)=O Amb24376767 [0,1,1,0,0,0|2,0,0]=4 316 B8R0.24 NC[C@@H](O)CP(O)(O)=O Amb24443084 [0,1,1,0,0,0|2,0,0]=4 317 B8R0.25 CCCCP(=O)(Cl)OC Amb25288638 [0,1,1,0,0,0|2,0,0]=4 318 B8R0.25 CCOCC(C)(O)CO Amb25705873 [0,1,1,0,0,0|2,0,0]=4 319 B8R0.25 COP(O)(=O)CCCN Amb24353336 [0,1,1,0,0,0|2,0,0]=4 320 B8R0.25 COP(O)(=O)CCCO Amb25317434 [0,1,1,0,0,0|2,0,0]=4 321 B8R0.29 CC(C)=CCP(O)(O)=O Amb25308177 [0,1,1,0,0,0|1,0,1]=4 322 B8R0.29 CC(C)COP(O)(O)=O Amb25264732 [0,1,1,0,0,0|2,0,0]=4 323 B8R0.29 CC(N)CCP(C)(O)=O Amb25765644 [0,1,1,0,0,0|2,0,0]=4 324 B8R0.29 CC(N)CSP(O)(O)=O Amb24649696 [0,1,1,0,0,0|2,0,0]=4 325 B8R0.29 CC(N)\C=C\P(O)(O)=O Amb24606523 [0,1,1,0,0,0|1,0,1]=4 326 B8R0.29 CC(O)COP(O)(O)=O Amb17673332 [0,1,1,0,0,0|2,0,0]=4 327 B8R0.29 C[C@H](O)COP(O)(O)=O Amb25687780 [0,1,1,0,0,0|2,0,0]=4 328 B8R0.27 CC(=C)C(O)P(O)(O)=O Amb25098555 [0,1,1,0,0,0|1,0,1]=4 329 B8R0.27 CC(C)C(N)P(C)(O)=O Amb25784649 [0,1,1,0,0,0|2,0,0]=4 330 B8R0.27 CC(C)C(N)P(O)(O)=S Amb24443105 [0,1,1,0,0,0|1,1,0]=4 331 B8R0.27 CC(C)[C@H](O)P(O)(O)=O Amb25681151 [0,1,1,0,0,0|1,0,0]=3 332 B8R0.27 CC(Cl)C(O)P(O)(O)=O Amb25227137 [0,1,1,0,0,0|1,0,0]=3 333 B8R0.27 CC(O)C(N)P(O)(O)=O Amb24524174 [0,1,1,0,0,0|0,0,0]=2 334 B8R0.27 CC(O)C(O)P(O)(O)=O Amb25235589 [0,1,1,0,0,0|0,0,0]=2 335 B8R0.27 C[C@@H](N)[C@H](O)P(O)(O)=O Amb24390259 [0,1,1,0,0,0|1,0,0]=3 336 B8R0.27 C[C@@H](O)[C@@H](O)P(O)(O)=O Amb25226258 [0,1,1,0,0,0|0,0,0]=2 337 B8R0.27 C[C@@H](O)[C@H](N)P(O)(O)=O Amb24391488 [0,1,1,0,0,0|0,0,0]=2 338 B8R0.27 C[C@@H](O)[C@H](O)P(O)(O)=O Amb25219228 [0,1,1,0,0,0|0,0,0]=2 339 B8R0.27 C[C@H](Cl)[C@@H](O)P(O)(O)=O Amb24480009 [0,1,1,0,0,0|1,0,0]=3 340 B8R0.27 C[C@H](N)[C@@H](O)P(O)(O)=O Amb24427545 [0,1,1,0,0,0|1,0,0]=3 341 B8R0.27 C[C@H](O)[C@@H](Cl)P(O)(O)=O Amb25858138 [0,1,1,0,0,0|0,0,0]=2 342 B8R0.27 C[C@H](O)[C@H](O)P(O)(O)=O Amb25136255 [0,1,1,0,0,0|0,0,0]=2 343 B8R0.27 NC(C(Cl)Cl)P(O)(O)=O Amb25092293 [0,1,1,0,0,0|2,0,0]=4 344 B8R0.27 OC(=O)C(F)P(O)(O)=O Amb24520819 [0,1,1,0,0,0|1,0,1]=4 345 B8R0.27 OC(C(O)=O)P(O)(O)=O Amb24117287 [0,1,1,0,0,0|1,0,1]=4 346 B8R0.33 CC(C)(N)CP(O)(O)=O Amb24527536 [0,1,1,0,0,0|1,0,0]=3 347 B8R0.33 OP(=O)(CP(=O)(O)O)O Amb1198689 [0,1,1,0,0,0|2,0,0]=4 348 B8R0.33 OP(O)(=O)CP(O)(O)=O Amb22360737 [0,1,1,0,0,0|2,0,0]=4 349 B8R0.34 CC(O)CC(C)(O)CO Amb25306407 [0,1,1,0,0,0|2,0,0]=4 350 B8R0.34 CN(C)CP(O)(=O)CO Amb25769359 [0,1,1,0,0,0|2,0,0]=4 351 B8R0.34 COP(O)(=O)CC(C)=O Amb25320077 [0,1,1,0,0,0|0,0,2]=4 352 B8R0.34 COP(O)(=O)CC(O)=O Amb24732061 [0,1,1,0,0,0|1,0,1]=4 353 B8R0.34 C[C@@H](O)C[C@](C)(O)CO Amb25356228 [0,1,1,0,0,0|2,0,0]=4 354 B8R0.34 OOP(O)(=O)CC(O)=O Amb22230756 [0,1,1,0,0,0|1,0,1]=4 355 B8R0.13 CCC(O)C(C)(O)CO Amb25792394 [0,1,1,0,0,0|2,0,0]=4 356 B8R0.13 CC[C@@H](O)[C@@](C)(O)CO Amb25280015 [0,1,1,0,0,0|2,0,0]=4 357 B8R0.17 CC(C)(CN)P(O)(O)=O Amb25779955 [0,1,1,0,0,0|2,0,0]=4 358 B8R0.17 CC(N)(CO)P(O)(O)=O Amb25055174 [0,1,1,0,0,0|2,0,0]=4 359 B8R0.17 CC(O)(CCl)P(O)(O)=O Amb24480095 [0,1,1,0,0,0|1,0,0]=3 360 B8R0.17 CC(S)(CO)P(O)(O)=O Amb24532915 [0,1,1,0,0,0|1,1,0]=4 361 B8R0.17 CCC(C)(N)P(O)(O)=O Amb22734487 [0,1,1,0,0,0|1,0,0]=3 362 B8R0.17 CC[C@](C)(N)P(O)(O)=O Amb24727195 [0,1,1,0,0,0|1,0,0]=3 363 B8R0.17 CNC(C)(C)P(O)(O)=O Amb24524176 [0,1,1,0,0,0|2,0,0]=4 364 B8R0.17 NCC(F)(F)P(O)(O)=O Amb25053388 [0,1,1,0,0,0|2,0,0]=4 365 B8R0.26 CCC(NC)P(O)(O)=O Amb24479934 [0,1,1,0,0,0|1,0,0]=3 366 B8R0.26 CCC(NN)P(O)(O)=O Amb25685958 [0,1,1,0,0,0|1,0,0]=3 367 B8R0.26 COC(OC)P(O)(O)=O Amb25203118 [0,1,1,0,0,0|1,0,0]=3 368 B8R0.26 OP(O)(=O)C(CO)CO Amb25045680 [0,1,1,0,0,0|1,0,0]=3 369 B8R1.30 CC1(OC1C)C(=O)O Amb17593199 [1,1,0,0,0,0|1,0,0]=3 370 B8R1.30 CC1CC1(Cl)C(O)=O Amb25376529 [1,1,0,0,0,0|2,0,0]=4 371 B8R1.30 CC1CC1(O)C(O)=O Amb24481340 [1,1,0,0,0,0|2,0,0]=4 372 B8R1.30 CC1OC1(C)C(C)=O Amb25745803 [1,1,0,0,0,0|2,0,0]=4 373 B8R1.30 CC1OC1(C)C(N)=O Amb24482460 [1,1,0,0,0,0|2,0,0]=4 374 B8R1.30 CC1OC1(Cl)C(O)=O Amb24604328 [1,1,0,0,0,0|1,0,0]=3 375 B8R1.30 C[C@@H]1C[C@@]1(C)C(O)=O Amb24680945 [1,1,0,0,0,0|2,0,0]=4 376 B8R1.30 C[C@@H]1C[C@@]1(N)C(O)=O Amb23452877 [1,1,0,0,0,0|2,0,0]=4 377 B8R1.30 C[C@@H]1C[C@]1(N)C(O)=O Amb23452872 [1,1,0,0,0,0|2,0,0]=4 378 B8R1.30 C[C@@H]1C[C@]1(O)C(O)=O Amb24630291 [1,1,0,0,0,0|2,0,0]=4 379 B8R1.30 C[C@@H]1O[C@@]1(C)C(N)=O Amb24760855 [1,1,0,0,0,0|2,0,0]=4 380 B8R1.30 C[C@@H]1O[C@@]1(C)C(O)=O Amb25174091 [1,1,0,0,0,0|1,0,0]=3 381 B8R1.30 C[C@@H]1O[C@@]1(C)[C@@H](C)O Amb25351482 [1,1,0,0,0,0|2,0,0]=4 382 B8R1.30 C[C@@H]1O[C@@]1(C)[C@H](C)O Amb24627872 [1,1,0,0,0,0|2,0,0]=4 383 B8R1.30 C[C@@H]1O[C@]1(C)[C@H](C)O Amb25369414 [1,1,0,0,0,0|2,0,0]=4 384 B8R1.30 C[C@H]1CC1(N)C(O)=O Amb25064269 [1,1,0,0,0,0|2,0,0]=4 385 B8R1.30 C[C@H]1C[C@@]1(O)C(O)=O Amb25174792 [1,1,0,0,0,0|2,0,0]=4 386 B8R1.30 C[C@H]1O[C@@]1(C)C(C)=O Amb25207221 [1,1,0,0,0,0|2,0,0]=4 387 B8R1.30 C[C@H]1O[C@]1(C)[C@H](C)O Amb24608061 [1,1,0,0,0,0|2,0,0]=4 388 B8R1.43 CCC1CC1C(O)=O Amb18961272 [1,1,0,0,0,0|2,0,0]=4 389 B8R1.43 CCC1OC1C(O)=O Amb24640795 [1,1,0,0,0,0|1,0,0]=3 390 B8R1.43 CC[C@@H]1C[C@H]1C(O)=O Amb24112910 [1,1,0,0,0,0|2,0,0]=4 391 B8R1.43 CC[C@@H]1O[C@H]1C(O)=O Amb24587605 [1,1,0,0,0,0|1,0,0]=3 392 B8R1.43 COC1CC1C(O)=O Amb25081919 [1,1,0,0,0,0|2,0,0]=4 393 B8R1.43 CO[C@@H]1C[C@H]1C(O)=O Amb24514838 [1,1,0,0,0,0|2,0,0]=4 394 B8R1.43 C[C@H](O)[C@H]1O[C@@H]1CO Amb25177040 [1,1,0,0,0,0|2,0,0]=4 395 B8R1.43 NC(=O)C1OC1CBr Amb25702387 [1,1,0,0,0,0|2,0,0]=4 396 B8R1.43 NC(=O)C1OC1CO Amb25351466 [1,1,0,0,0,0|2,0,0]=4 397 B8R1.43 NC(=O)[C@@H]1O[C@H]1CO Amb25229010 [1,1,0,0,0,0|2,0,0]=4 398 B8R1.43 NC[C@@H]1C[C@@H]1C(O)=O Amb24680970 [1,1,0,0,0,0|2,0,0]=4 399 B8R1.43 OB(O)[C@H]1C[C@@H]1CCl Amb24551898 [1,1,0,0,0,0|2,0,0]=4 400 B8R1.43 OC(=O)[C@@H]1C[C@H]1CCl Amb24698643 [1,1,0,0,0,0|2,0,0]=4 401 B8R1.43 OC(=O)[C@H]1C[C@@H]1CBr Amb24515045 [1,1,0,0,0,0|2,0,0]=4 402 B8R1.43 OC(=O)[C@H]1O[C@@H]1CBr Amb24603042 [1,1,0,0,0,0|1,0,0]=3 403 B8R1.43 OCC1CC1C(O)=O Amb25173469 [1,1,0,0,0,0|2,0,0]=4 404 B8R1.43 OC[C@@H]1C[C@H]1C(O)=O Amb25231147 [1,1,0,0,0,0|2,0,0]=4 405 B8R1.43 OC[C@H]1C[C@@H]1C(O)=O Amb25319844 [1,1,0,0,0,0|2,0,0]=4 406 B8R1.43 [O-]C(=O)C1OC1CO Amb24557010 [1,1,0,0,0,0|1,0,1]=4 407 B8R1.43 [O-]C(=O)[C@@H]1O[C@H]1CO Amb25215740 [1,1,0,0,0,0|1,0,1]=4 408 B8R1.43 [O-]C(=O)[C@H]1O[C@@H]1CO Amb24541614 [1,1,0,0,0,0|1,0,1]=4 409 B8R1.67 CC1C(C1C)C(O)=O Amb25314641 [1,1,0,0,0,0|2,0,0]=4 410 B8R1.67 CC1C(N)C1C(O)=O Amb25764435 [1,1,0,0,0,0|2,0,0]=4 411 B8R1.67 C[C@@H]1[C@H]([C@@H]1C)C(O)=O Amb25378219 [1,1,0,0,0,0|2,0,0]=4 412 B8R1.67 C[C@H]1C([C@@H]1C)C(O)=O Amb25811791 [1,1,0,0,0,0|2,0,0]=4 413 B8R1.67 C[C@H]1[C@H](N)[C@@H]1C(O)=O Amb24698691 [1,1,0,0,0,0|2,0,0]=4 414 B8R1.77 CC1(C)NC1C(O)=O Amb23401629 [1,1,0,0,0,0|2,0,0]=4 415 B8R1.77 CC1(C)OC1C(N)=O Amb25324328 [1,1,0,0,0,0|2,0,0]=4 416 B8R1.77 CC1(C)OC1C(O)=O Amb24481352 [1,1,0,0,0,0|1,0,0]=3 417 B8R1.77 CC1(C)S[C@H]1C(O)=O Amb24445654 [1,1,0,0,0,0|1,1,0]=4 418 B8R1.77 CC1(Cl)CC1C(O)=O Amb24629731 [1,1,0,0,0,0|2,0,0]=4 419 B8R1.83 CC1OC1C(=O)NC Amb25204387 [1,1,0,0,0,0|2,0,0]=4 420 B8R1.83 CC1OC1C(=O)OC Amb22055865 [1,1,0,0,0,0|1,0,0]=3 421 B8R1.83 CC1OC1C(O)C#N Amb25234447 [1,1,0,0,0,0|2,0,0]=4 422 B8R1.83 CC1OC1C(O)C=C Amb24533997 [1,1,0,0,0,0|2,0,0]=4 423 B8R1.83 CC1OC1C(O)CC Amb25296412 [1,1,0,0,0,0|2,0,0]=4 424 B8R1.83 C[C@@H]1N[C@H]1C(=O)OC Amb24120620 [1,1,0,0,0,0|2,0,0]=4 425 B8R1.83 C[C@@H]1O[C@H]1[C@H](O)C#C Amb25261842 [1,1,0,0,0,0|2,0,0]=4 426 B8R1.83 C[C@H]1C[C@@H]1C(=O)NO Amb25358413 [1,1,0,0,0,0|2,0,0]=4 427 B8R1.28 CC(O)(CO)C1CO1 Amb25831929 [1,1,0,0,0,0|2,0,0]=4 428 B8R1.70 CC1(CC1)P(O)(O)=O Amb24543753 [1,1,0,0,0,0|1,0,0]=3 429 B10R1.167 CCC1CC1(N)P(O)(O)=O Amb24375538 [0,2,0,0,0,0|1,0,0]=3 430 B10R1.347 CC(N)C1OC1S(O)(=O)=O Amb24374665 [0,2,0,0,0,0|1,0,1]=4 431 B10R1.347 C[C@@H](N)C1OC1S(O)(=O)=O Amb24649793 [0,2,0,0,0,0|1,0,1]=4 432 B10R1.347 C[C@@H](N)[C@H]1O[C@@H]1S(O)(=O)=O Amb24546266 [0,2,0,0,0,0|1,0,1]=4 433 B8R1.55 OP(O)(=O)C1CCN1 Amb24481363 [0,0,1,1,0,0|1,0,0]=3 434 B8R1.55 OP(O)(=O)C1CNC1 Amb24693640 [0,0,1,1,0,0|2,0,0]=4 435 B8R2.38 O=C1CC[C@@H]2O[C@H]12 Amb25025235 [1,0,0,1,0,0|2,0,0]=4 436 B8R2.38 O=C1NC[C@H]2O[C@@H]12 Amb25261527 [1,0,0,1,0,0|2,0,0]=4 437 B8R2.38 O=C1OCC2CC12 Amb24113373 [1,0,0,1,0,0|2,0,0]=4 438 B8R2.38 O=C1OCC2OC12 Amb24061718 [1,0,0,1,0,0|1,0,0]=3 439 B8R2.38 OC1CCC2OC21 Amb24361986 [1,0,0,1,0,0|2,0,0]=4 440 B8R2.38 OC1CC[C@@H]2O[C@H]21 Amb25356348 [1,0,0,1,0,0|2,0,0]=4 441 B8R2.38 OC1OC[C@H]2C[C@H]21 Amb25175311 [1,0,0,1,0,0|2,0,0]=4 442 B8R2.66 OC(=O)C12CC1C2 Amb24732235 [1,0,0,1,0,0|2,0,0]=4 443 B10R2.147 CC1(CO)OCC2OC12 Amb24449488 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.20 CC1CC1CB(O)O Amb24641424 [1,0,0,0,0,1|2,0,0]=4 445 B8R1.20 CC1CC1CC(O)=O Amb25316515 [1,0,0,0,0,1|2,0,0]=4 446 B8R1.20 CC1OC1CC(O)=O Amb24710388 [1,0,0,0,0,1|1,0,0]=3 447 B8R1.20 CC1OC1C[N+]([O-])=O Amb25205724 [1,0,0,0,0,1|0,1,1]=4 448 B8R1.20 C[C@@H]1O[C@H]1CC(N)=O Amb24629162 [1,0,0,0,0,1|2,0,0]=4 449 B8R1.20 C[C@H]1C[C@H]1CC(O)=O Amb25174744 [1,0,0,0,0,1|2,0,0]=4 450 B8R1.20 C[C@H]1O[C@@H]1CC(C)O Amb25176687 [1,0,0,0,0,1|2,0,0]=4 451 B8R1.20 C[C@H]1O[C@H]1CC(O)=O Amb25747306 [1,0,0,0,0,1|1,0,0]=3 452 B8R1.23 CC1CC(C1)C(O)=O Amb19515989 [1,0,0,0,0,1|2,0,0]=4 453 B8R1.23 C[C@@H]1C[C@@H](C1)C(O)=O Amb22746374 [1,0,0,0,0,1|2,0,0]=4 454 B8R1.23 C[C@@H]1C[C@H](C1)C(O)=O Amb22746375 [1,0,0,0,0,1|2,0,0]=4 455 B8R1.23 C[C@H]1C[C@H](N1)C(O)=O Amb24514390 [1,0,0,0,0,1|2,0,0]=4 456 B8R1.31 CC1CCC1C(O)=O Amb21857447 [1,0,0,0,0,1|2,0,0]=4 457 B8R1.31 C[C@@H]1CC[C@H]1C(O)=O Amb25174793 [1,0,0,0,0,1|2,0,0]=4 458 B8R1.31 C[C@@H]1CN[C@@H]1C(O)=O Amb24597629 [1,0,0,0,0,1|2,0,0]=4 459 B8R1.31 C[C@H]1CC[C@@H]1C(O)=O Amb24561899 [1,0,0,0,0,1|2,0,0]=4 460 B8R1.31 C[C@H]1CC[C@H]1C(O)=O Amb25259513 [1,0,0,0,0,1|2,0,0]=4 461 B8R1.31 C[C@H]1CN[C@@H]1C(O)=O Amb24629618 [1,0,0,0,0,1|2,0,0]=4 462 B8R1.31 N[C@@H]1CO[C@@H]1C(O)=O Amb24568133 [1,0,0,0,0,1|2,0,0]=4 463 B8R1.31 N[C@@H]1CO[C@H]1C(O)=O Amb24681491 [1,0,0,0,0,1|2,0,0]=4 464 B8R1.31 N[C@H]1CO[C@@H]1C(O)=O Amb25324265 [1,0,0,0,0,1|2,0,0]=4 465 B10R1.55 Cc1ccc(o1)P(O)(O)=O Amb25808677 [0,0,0,0,0,2|0,0,2]=4 466 B10R1.65 NC1CCCC1P(O)(O)=O Amb24616300 [0,0,0,0,0,2|2,0,0]=4