0 B9R0.7 C=C(Br)CNC(C)C(=O)O Amb18303282 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.7 C=C(Br)CN[C@@H](C)C(=O)O Amb27174841 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.7 C=C(C)C(C)CCC(=O)O Amb27254117 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.7 C=C(C)C(N)CCC(=O)O Amb33199957 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.7 C=C(C)CCC(=C)C(=O)O Amb28047421 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.7 C=C(C)CCC(C)C(=O)O Amb25809141 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.7 C=C(C)CCC(C)C(C)=O Amb27753284 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.7 C=C(C)CCC(N)C(=O)O Amb28121242 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.7 C=C(C)CCC(N)C(N)=O Amb27188568 [0,0,0,0,0,0|3,0,0]=3 9 B9R0.7 C=C(C)CCC(O)C(=O)O Amb27436256 [0,0,0,0,0,0|3,0,0]=3 10 B9R0.7 C=C(C)CC[C@@H](N)C(=O)O Amb25775219 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.7 C=C(C)CC[C@H](N)C(=O)O Amb25948355 [0,0,0,0,0,0|2,0,0]=2 12 B9R0.7 C=C(C)CSC(C)C(=O)O Amb6263518 [0,0,0,0,0,0|4,0,0]=4 13 B9R0.7 C=C(C)[C@@H](C)CCC(C)=O Amb24583145 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.7 C=C(CCC(=O)O)C(=O)O Amb8391367 [0,0,0,0,0,0|2,0,1]=3 15 B9R0.7 C=C(CCC(=O)O)C(C)=O Amb27814984 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.7 C=C(CCC(C)=O)C(C)=O Amb25303019 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.7 C=C(Cl)CCC(N)C(=O)O Amb27424777 [0,0,0,0,0,0|2,0,0]=2 18 B9R0.7 C=C(F)C(N)CCC(=O)O Amb27849938 [0,0,0,0,0,0|3,0,0]=3 19 B9R0.7 CC(=O)C(C)CCC(=O)O Amb4020917 [0,0,0,0,0,0|3,0,0]=3 20 B9R0.7 CC(=O)C(C)CCC(N)=O Amb25843826 [0,0,0,0,0,0|2,0,0]=2 21 B9R0.7 CC(=O)C(C)CCS(C)=O Amb27783563 [0,0,0,0,0,0|4,0,0]=4 22 B9R0.7 CC(=O)C(C)SCC(N)=O Amb28206699 [0,0,0,0,0,0|3,0,0]=3 23 B9R0.7 CC(=O)C(F)CCC(=O)O Amb27620074 [0,0,0,0,0,0|3,0,0]=3 24 B9R0.7 CC(=O)C(N)CCC(=O)O Amb27875288 [0,0,0,0,0,0|2,0,0]=2 25 B9R0.7 CC(=O)C(O)CCC(=O)O Amb27826305 [0,0,0,0,0,0|3,0,0]=3 26 B9R0.7 CC(=O)CCC(=O)C(C)=O Amb25852390 [0,0,0,0,0,0|3,0,1]=4 27 B9R0.7 CC(=O)CCC(C)C(C)O Amb27838958 [0,0,0,0,0,0|3,0,1]=4 28 B9R0.7 CC(=O)CCC(Cl)C(C)=O Amb27444965 [0,0,0,0,0,0|3,0,0]=3 29 B9R0.7 CC(=O)CCC(N)C(=O)O Amb20669473 [0,0,0,0,0,0|1,0,0]=1 30 B9R0.7 CC(=O)CCC(N)C(=O)O Amb22157242 [0,0,0,0,0,0|1,0,0]=1 31 B9R0.7 CC(=O)CCC(N)C(N)=O Amb26649117 [0,0,0,0,0,0|2,0,0]=2 32 B9R0.7 CC(=O)CC[C@@H](C)[C@@H](C)O Amb25984868 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.7 CC(=O)CC[C@@H](N)C(=O)O Amb26516732 [0,0,0,0,0,0|1,0,0]=1 34 B9R0.7 CC(=O)CC[C@H](C)[C@@H](C)O Amb22747043 [0,0,0,0,0,0|3,0,1]=4 35 B9R0.7 CC(=O)CC[C@H](N)C(=O)O Amb25147501 [0,0,0,0,0,0|1,0,0]=1 36 B9R0.7 CC(=O)CNC(=O)C(=O)O Amb24480846 [0,0,0,0,0,0|3,0,1]=4 37 B9R0.7 CC(=O)CSC(C)C(=O)O Amb17501621 [0,0,0,0,0,0|3,0,0]=3 38 B9R0.7 CC(=O)CSC(C)C(N)=O Amb27949123 [0,0,0,0,0,0|4,0,0]=4 39 B9R0.7 CC(=O)N(C)CCC(=O)O Amb2691290 [0,0,0,0,0,0|4,0,0]=4 40 B9R0.7 CC(=O)N(C)CCC(N)=S Amb33533008 [0,0,0,0,0,0|3,1,0]=4 41 B9R0.7 CC(=O)N(O)CCC(=O)O Amb28050128 [0,0,0,0,0,0|4,0,0]=4 42 B9R0.7 CC(=O)NCC(N)C(=O)O Amb26046380 [0,0,0,0,0,0|2,0,0]=2 43 B9R0.7 CC(=O)NC[C@H](C)C(=O)O Amb27472985 [0,0,0,0,0,0|3,0,0]=3 44 B9R0.7 CC(=O)OCC(C)C(=O)O Amb28050166 [0,0,0,0,0,0|3,0,0]=3 45 B9R0.7 CC(=O)OCC(C)C(C)=O Amb27471984 [0,0,0,0,0,0|4,0,0]=4 46 B9R0.7 CC(=O)OCC(N)C(=O)O Amb17593668 [0,0,0,0,0,0|2,0,0]=2 47 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O Amb2699176 [0,0,0,0,0,0|2,0,0]=2 48 B9R0.7 CC(=O)OC[C@@H]([NH3+])C(=O)O Amb3499386 [0,0,0,0,0,0|2,0,1]=3 49 B9R0.7 CC(=O)OC[C@H](C)C(=O)O Amb28340504 [0,0,0,0,0,0|3,0,0]=3 50 B9R0.7 CC(=O)OC[C@H](C)C(C)=O Amb28049898 [0,0,0,0,0,0|4,0,0]=4 51 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb2778750 [0,0,0,0,0,0|2,0,0]=2 52 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb33757552 [0,0,0,0,0,0|2,0,0]=2 53 B9R0.7 CC(=O)ONC(C)C(=O)O Amb27765574 [0,0,0,0,0,0|4,0,0]=4 54 B9R0.7 CC(=O)SCC(C)C(=O)O Amb2732386 [0,0,0,0,0,0|3,0,0]=3 55 B9R0.7 CC(=O)SCC(C)C(N)=O Amb22586594 [0,0,0,0,0,0|4,0,0]=4 56 B9R0.7 CC(=O)SCC(Cl)C(=O)Cl Amb28247162 [0,0,0,0,0,0|4,0,0]=4 57 B9R0.7 CC(=O)SCC(N)C(=O)O Amb22490452 [0,0,0,0,0,0|2,0,0]=2 58 B9R0.7 CC(=O)SCC(O)C(=O)O Amb31030973 [0,0,0,0,0,0|3,0,0]=3 59 B9R0.7 CC(=O)SC[C@@H](C)C(=O)Cl Amb26641827 [0,0,0,0,0,0|4,0,0]=4 60 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O Amb8628177 [0,0,0,0,0,0|3,0,0]=3 61 B9R0.7 CC(=O)SC[C@H](C)C(=O)Cl Amb25230202 [0,0,0,0,0,0|4,0,0]=4 62 B9R0.7 CC(=O)[C@H](C)CCC(=O)O Amb24671283 [0,0,0,0,0,0|3,0,0]=3 63 B9R0.7 CC(C)=CCC(C)C(=O)O Amb18643879 [0,0,0,0,0,0|3,0,1]=4 64 B9R0.7 CC(C)=CCC(N)C(=O)O Amb6276273 [0,0,0,0,0,0|2,0,1]=3 65 B9R0.7 CC(C)=CCC(N)C(N)=O Amb24697159 [0,0,0,0,0,0|3,0,1]=4 66 B9R0.7 CC(C)=CC[C@@H](N)C(=O)O Amb27254062 [0,0,0,0,0,0|2,0,1]=3 67 B9R0.7 CC(C)=CC[C@H](N)C(=O)O Amb25836895 [0,0,0,0,0,0|2,0,1]=3 68 B9R0.7 CC(C)C(N)CCC(=O)O Amb18124745 [0,0,0,0,0,0|3,0,1]=4 69 B9R0.7 CC(C)C(N)CNC(N)=O Amb27832804 [0,0,0,0,0,0|3,0,1]=4 70 B9R0.7 CC(C)CCC(Br)C(=O)O Amb18131059 [0,0,0,0,0,0|3,0,1]=4 71 B9R0.7 CC(C)CCC(C)C(=O)O Amb19033547 [0,0,0,0,0,0|3,0,1]=4 72 B9R0.7 CC(C)CCC(F)C(=O)O Amb26612835 [0,0,0,0,0,0|3,0,1]=4 73 B9R0.7 CC(C)CCC(N)C(=O)Cl Amb27396445 [0,0,0,0,0,0|3,0,1]=4 74 B9R0.7 CC(C)CCC(N)C(=O)O Amb19269152 [0,0,0,0,0,0|2,0,1]=3 75 B9R0.7 CC(C)CCC(N)C(=O)O Amb6269218 [0,0,0,0,0,0|2,0,1]=3 76 B9R0.7 CC(C)CCC(N)C(N)=O Amb27424766 [0,0,0,0,0,0|3,0,1]=4 77 B9R0.7 CC(C)CCC(O)C(=O)O Amb27788603 [0,0,0,0,0,0|3,0,1]=4 78 B9R0.7 CC(C)CC[C@@H](C)C(=O)O Amb26983027 [0,0,0,0,0,0|3,0,1]=4 79 B9R0.7 CC(C)CC[C@@H](N)C(=O)O Amb19133196 [0,0,0,0,0,0|2,0,1]=3 80 B9R0.7 CC(C)CC[C@@H](N)C(=O)O Amb22899130 [0,0,0,0,0,0|2,0,1]=3 81 B9R0.7 CC(C)CC[C@H](C)C(=O)O Amb27227250 [0,0,0,0,0,0|3,0,1]=4 82 B9R0.7 CC(C)CC[C@H](N)C(=O)O Amb16183866 [0,0,0,0,0,0|2,0,1]=3 83 B9R0.7 CC(C)CC[C@H](N)C(=O)O Amb33339290 [0,0,0,0,0,0|2,0,1]=3 84 B9R0.7 CC(C)OCC(N)C(=O)O Amb25956723 [0,0,0,0,0,0|3,0,1]=4 85 B9R0.7 CC(C)OCC(N)C(=O)O Amb32665467 [0,0,0,0,0,0|3,0,1]=4 86 B9R0.7 CC(C)OC[C@@H](N)C(=O)O Amb24479342 [0,0,0,0,0,0|3,0,1]=4 87 B9R0.7 CC(C)OC[C@H](N)C(=O)O Amb26960408 [0,0,0,0,0,0|3,0,1]=4 88 B9R0.7 CC(C)OC[C@H](N)C(=O)O Amb32664966 [0,0,0,0,0,0|3,0,1]=4 89 B9R0.7 CC(C)SCC(N)C(=O)O Amb6273927 [0,0,0,0,0,0|3,0,1]=4 90 B9R0.7 CC(CCC(=N)N)C(=N)N Amb2695943 [0,0,0,0,0,0|4,0,0]=4 91 B9R0.7 CC(CCC(=O)O)C(=O)O Amb6296609 [0,0,0,0,0,0|2,0,0]=2 92 B9R0.7 CC(CCC(F)F)C(=O)O Amb32672190 [0,0,0,0,0,0|3,0,1]=4 93 B9R0.7 CC(CCN(C)C)C(=O)O Amb26502003 [0,0,0,0,0,0|4,0,0]=4 94 B9R0.7 CC(CCN(C)C)C(=O)O Amb32675008 [0,0,0,0,0,0|4,0,0]=4 95 B9R0.7 CC(CCS(C)=O)C(=O)O Amb27237254 [0,0,0,0,0,0|3,0,0]=3 96 B9R0.7 CC(CC[N+](=O)[O-])C(=O)O Amb27425087 [0,0,0,0,0,0|3,0,0]=3 97 B9R0.7 CC(CNC(=N)N)C(=O)O Amb28050103 [0,0,0,0,0,0|3,0,0]=3 98 B9R0.7 CC(CNC(N)=O)B(O)O Amb27838038 [0,0,0,0,0,0|3,0,1]=4 99 B9R0.7 CC(CNC(N)=O)C(=O)O Amb18298054 [0,0,0,0,0,0|2,0,0]=2 100 B9R0.7 CC(CNC(N)=O)S(C)=O Amb27765013 [0,0,0,0,0,0|4,0,0]=4 101 B9R0.7 CC(CSC(=N)N)C(=O)O Amb27392409 [0,0,0,0,0,0|3,0,0]=3 102 B9R0.7 CC(F)C(N)CCC(=O)O Amb27207659 [0,0,0,0,0,0|3,0,1]=4 103 B9R0.7 CC(N)CCC(O)C(=O)O Amb28436655 [0,0,0,0,0,0|2,0,1]=3 104 B9R0.7 CC(NCC(=O)O)C(=O)O Amb26506272 [0,0,0,0,0,0|3,0,0]=3 105 B9R0.7 CC(NCC(=O)O)C(=O)O Amb3427836 [0,0,0,0,0,0|3,0,0]=3 106 B9R0.7 CC(NCC(=O)O)C(N)=O Amb9285399 [0,0,0,0,0,0|4,0,0]=4 107 B9R0.7 CC(NNC(N)=O)C(=O)O Amb26391983 [0,0,0,0,0,0|3,0,0]=3 108 B9R0.7 CC(O)C(C)CCC(=O)O Amb27424805 [0,0,0,0,0,0|3,0,1]=4 109 B9R0.7 CC(O)C(C)NCC(N)=O Amb27476355 [0,0,0,0,0,0|3,0,1]=4 110 B9R0.7 CC(O)C(O)CCC(N)=O Amb28146727 [0,0,0,0,0,0|2,0,1]=3 111 B9R0.7 CC(O)CCC(N)C(=O)O Amb26598749 [0,0,0,0,0,0|1,0,2]=3 112 B9R0.7 CC(O)CCC(N)C(N)=O Amb33036759 [0,0,0,0,0,0|2,0,2]=4 113 B9R0.7 CC(O)CC[C@@H](N)C(=O)O Amb28126862 [0,0,0,0,0,0|1,0,2]=3 114 B9R0.7 CC(O)CC[C@H](N)C(=O)O Amb26346481 [0,0,0,0,0,0|1,0,2]=3 115 B9R0.7 CC(O)NC[C@H](N)C(=O)O Amb24575047 [0,0,0,0,0,0|2,0,2]=4 116 B9R0.7 CC(O)OC[C@@H](N)C(=O)O Amb28348403 [0,0,0,0,0,0|2,0,2]=4 117 B9R0.7 CC(SCC(=O)O)C(=O)O Amb2431034 [0,0,0,0,0,0|3,0,0]=3 118 B9R0.7 CC(SCC(N)=O)C(N)=O Amb27184474 [0,0,0,0,0,0|3,0,0]=3 119 B9R0.7 CN(C)CCC(F)C(=O)O Amb27959150 [0,0,0,0,0,0|4,0,0]=4 120 B9R0.7 CN(C)CCC(N)C(=O)O Amb32661000 [0,0,0,0,0,0|3,0,0]=3 121 B9R0.7 CN(C)CCC(N)C(=O)O Amb6259376 [0,0,0,0,0,0|3,0,0]=3 122 B9R0.7 CN(C)CCC(N)C(N)=O Amb19036813 [0,0,0,0,0,0|4,0,0]=4 123 B9R0.7 CN(C)CCC(O)C(=O)O Amb26847402 [0,0,0,0,0,0|4,0,0]=4 124 B9R0.7 CN(C)CC[C@@H](N)C(=O)O Amb26453522 [0,0,0,0,0,0|3,0,0]=3 125 B9R0.7 CN(C)CC[C@H](N)C(=O)O Amb25108550 [0,0,0,0,0,0|3,0,0]=3 126 B9R0.7 CN(C)CC[C@H](N)C(N)=O Amb28364893 [0,0,0,0,0,0|4,0,0]=4 127 B9R0.7 CN(C)NCC(N)C(=O)O Amb28045970 [0,0,0,0,0,0|4,0,0]=4 128 B9R0.7 CN(CCC(=O)O)C(N)=O Amb18984979 [0,0,0,0,0,0|4,0,0]=4 129 B9R0.7 CN(CCC(N)=O)C(N)=O Amb28316022 [0,0,0,0,0,0|3,0,0]=3 130 B9R0.7 CN(O)CC[C@H](N)C(=O)O Amb27640254 [0,0,0,0,0,0|2,0,1]=3 131 B9R0.7 CS(=N)CCC(N)C(=O)O Amb25243030 [0,0,0,0,0,0|2,0,1]=3 132 B9R0.7 CS(=O)CCC(N)C(=O)O Amb6336322 [0,0,0,0,0,0|2,0,0]=2 133 B9R0.7 CS(=O)CCC(N)C(N)=O Amb25869966 [0,0,0,0,0,0|3,0,0]=3 134 B9R0.7 CS(=O)CCC(O)C(=O)O Amb28118981 [0,0,0,0,0,0|3,0,0]=3 135 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O Amb19133021 [0,0,0,0,0,0|2,0,0]=2 136 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Amb6600089 [0,0,0,0,0,0|2,0,0]=2 137 B9R0.7 CS(=O)NCC(N)C(=O)O Amb28122995 [0,0,0,0,0,0|3,0,0]=3 138 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O Amb22799543 [0,0,0,0,0,0|2,0,0]=2 139 B9R0.7 C[C@@H](CC[N+](=O)[O-])C(=O)O Amb24330210 [0,0,0,0,0,0|3,0,0]=3 140 B9R0.7 C[C@@H](CNC(N)=O)C(=O)O Amb10844047 [0,0,0,0,0,0|2,0,0]=2 141 B9R0.7 C[C@@H](F)[C@@H](N)CCC(=O)O Amb27604296 [0,0,0,0,0,0|3,0,1]=4 142 B9R0.7 C[C@@H](N)CC[C@@H](O)C(=O)O Amb27815031 [0,0,0,0,0,0|2,0,1]=3 143 B9R0.7 C[C@@H](N)CN[C@H](C)C(=O)O Amb27646700 [0,0,0,0,0,0|3,0,1]=4 144 B9R0.7 C[C@@H](NCC(=O)O)C(=O)O Amb22748947 [0,0,0,0,0,0|3,0,0]=3 145 B9R0.7 C[C@@H](O)[C@H](O)CCC(=O)O Amb27628876 [0,0,0,0,0,0|3,0,1]=4 146 B9R0.7 C[C@H](CCC(=O)O)C(=O)O Amb22225175 [0,0,0,0,0,0|2,0,0]=2 147 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O Amb13883662 [0,0,0,0,0,0|3,0,0]=3 148 B9R0.7 C[C@H](CNC(N)=O)C(=O)O Amb27235917 [0,0,0,0,0,0|2,0,0]=2 149 B9R0.7 C[C@H](N)CN[C@H](C)C(=O)O Amb27445282 [0,0,0,0,0,0|3,0,1]=4 150 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb25133540 [0,0,0,0,0,0|3,0,0]=3 151 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb33803333 [0,0,0,0,0,0|3,0,0]=3 152 B9R0.7 C[C@H](NCC(=O)O)C(N)=O Amb27771293 [0,0,0,0,0,0|4,0,0]=4 153 B9R0.7 C[C@H](O)[C@H](N)CCC(=O)O Amb27217393 [0,0,0,0,0,0|2,0,1]=3 154 B9R0.7 C[S+](C)CCC(N)C(=O)O Amb4006595 [0,0,0,0,0,0|3,0,0]=3 155 B9R0.7 C[S+](C)CCC(N)C(=O)O Amb4006626 [0,0,0,0,0,0|3,0,0]=3 156 B9R0.7 C[S+](C)CCC(N)C(=O)O Amb4007490 [0,0,0,0,0,0|3,0,0]=3 157 B9R0.7 C[S+](C)CCC(O)C(=O)O Amb33482959 [0,0,0,0,0,0|4,0,0]=4 158 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O Amb35781977 [0,0,0,0,0,0|3,0,0]=3 159 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O Amb6336613 [0,0,0,0,0,0|3,0,0]=3 160 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O Amb10601599 [0,0,0,0,0,0|3,0,0]=3 161 B9R0.7 C[SH](C)CC[C@H](N)C(=O)O Amb24440849 [0,0,0,0,0,0|3,0,0]=3 162 B9R0.7 C\C(=C/CC(=O)O)C(=O)O Amb27214024 [0,0,0,0,0,0|2,0,2]=4 163 B9R0.7 C\C(=C\CC(=O)O)C(=O)O Amb25960751 [0,0,0,0,0,0|2,0,2]=4 164 B9R0.7 C\C(=N/CC(=O)O)C(=O)O Amb27759453 [0,0,0,0,0,0|3,0,1]=4 165 B9R0.7 C\C(=N/NC(N)=O)C(=O)O Amb9901909 [0,0,0,0,0,0|3,0,1]=4 166 B9R0.7 C\C(Cl)=C/CC(Cl)C(=O)O Amb27212547 [0,0,0,0,0,0|3,0,1]=4 167 B9R0.7 C\C(Cl)=C\CC(Cl)C(=O)O Amb17594711 [0,0,0,0,0,0|3,0,1]=4 168 B9R0.7 C\C(F)=C/C[C@H](N)C(=O)O Amb27205690 [0,0,0,0,0,0|2,0,1]=3 169 B9R0.7 N=C(N)CCC(N)C(=O)O Amb28185146 [0,0,0,0,0,0|1,0,0]=1 170 B9R0.7 N=C(N)NCC(N)C(=O)O Amb22169574 [0,0,0,0,0,0|2,0,0]=2 171 B9R0.7 N=C(N)NCC(N)C(=O)O Amb9871390 [0,0,0,0,0,0|2,0,0]=2 172 B9R0.7 N=C(N)NCC(O)C(=O)O Amb27229727 [0,0,0,0,0,0|3,0,0]=3 173 B9R0.7 N=C(N)NC[C@@H](N)C(=O)O Amb28058768 [0,0,0,0,0,0|2,0,0]=2 174 B9R0.7 N=C(N)NC[C@@H](N)C(=O)O Amb31292962 [0,0,0,0,0,0|2,0,0]=2 175 B9R0.7 N=C(N)NC[C@H](N)C(=O)O Amb27230623 [0,0,0,0,0,0|2,0,0]=2 176 B9R0.7 N=C(N)SCC(=O)C(=O)O Amb33069787 [0,0,0,0,0,0|3,0,1]=4 177 B9R0.7 NC(=O)C(N)CC=C(Cl)Cl Amb29866586 [0,0,0,0,0,0|3,0,1]=4 178 B9R0.7 NC(=O)C(N)CCC(=O)O Amb18644256 [0,0,0,0,0,0|2,0,0]=2 179 B9R0.7 NC(=O)CCC(=O)C(=O)O Amb26369364 [0,0,0,0,0,0|1,0,1]=2 180 B9R0.7 NC(=O)CCC(Br)C(=O)O Amb27828829 [0,0,0,0,0,0|1,0,0]=1 181 B9R0.7 NC(=O)CCC(F)=C(F)F Amb27870738 [0,0,0,0,0,0|3,0,1]=4 182 B9R0.7 NC(=O)CCC(N)C(=O)Cl Amb27793490 [0,0,0,0,0,0|1,0,0]=1 183 B9R0.7 NC(=O)CCC(N)C(=O)O Amb9702792 [0,0,0,0,0,0|0,0,0]=0 184 B9R0.7 NC(=O)CCC(N)C(N)=O Amb27175153 [0,0,0,0,0,0|1,0,0]=1 185 B9R0.7 NC(=O)CCC(O)C(N)=O Amb28289307 [0,0,0,0,0,0|2,0,0]=2 186 B9R0.7 NC(=O)CC[C@@H](Br)C(=O)O Amb28049993 [0,0,0,0,0,0|1,0,0]=1 187 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Amb2688618 [0,0,0,0,0,0|0,0,0]=0 188 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb22748708 [0,0,0,0,0,0|1,0,0]=1 189 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb25996678 [0,0,0,0,0,0|1,0,0]=1 190 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Amb6600045 [0,0,0,0,0,0|0,0,0]=0 191 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb24426852 [0,0,0,0,0,0|1,0,0]=1 192 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb33774694 [0,0,0,0,0,0|1,0,0]=1 193 B9R0.7 NC(=O)CNC(=O)C(=O)O Amb9303805 [0,0,0,0,0,0|2,0,1]=3 194 B9R0.7 NC(=O)NCC(F)C(=O)O Amb17610485 [0,0,0,0,0,0|2,0,0]=2 195 B9R0.7 NC(=O)NCC(N)C(=O)O Amb4037018 [0,0,0,0,0,0|1,0,0]=1 196 B9R0.7 NC(=O)NCC(N)C(N)=O Amb27646620 [0,0,0,0,0,0|2,0,0]=2 197 B9R0.7 NC(=O)NCC(O)C(=O)O Amb27464106 [0,0,0,0,0,0|2,0,0]=2 198 B9R0.7 NC(=O)NCC(O)C(N)=O Amb28384014 [0,0,0,0,0,0|3,0,0]=3 199 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O Amb10068479 [0,0,0,0,0,0|1,0,0]=1 200 B9R0.7 NC(=O)NC[C@H](N)C(=O)O Amb6298794 [0,0,0,0,0,0|1,0,0]=1 201 B9R0.7 NC(=O)N\C=C(/F)C(=O)O Amb17614482 [0,0,0,0,0,0|2,0,2]=4 202 B9R0.7 NC(=O)OCC(N)C(=O)O Amb26968173 [0,0,0,0,0,0|1,0,0]=1 203 B9R0.7 NC(=O)OC[C@H](N)C(=O)O Amb28126945 [0,0,0,0,0,0|1,0,0]=1 204 B9R0.7 NC(=O)SCC(N)C(=O)O Amb3993051 [0,0,0,0,0,0|1,0,0]=1 205 B9R0.7 NC(=O)SC[C@@H](N)C(=O)O Amb10072293 [0,0,0,0,0,0|1,0,0]=1 206 B9R0.7 NC(=O)SC[C@H](N)C(=O)O Amb22735296 [0,0,0,0,0,0|1,0,0]=1 207 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O Amb22745051 [0,0,0,0,0,0|2,0,0]=2 208 B9R0.7 NC(=O)[C@H](N)CCC(=O)O Amb24557281 [0,0,0,0,0,0|2,0,0]=2 209 B9R0.7 NC(=S)CCC(N)C(=O)O Amb27448533 [0,0,0,0,0,0|0,1,0]=1 210 B9R0.7 NC(=S)CC[C@H](N)C(=O)O Amb27640783 [0,0,0,0,0,0|0,1,0]=1 211 B9R0.7 NC(CC=C(Cl)Cl)C(=O)O Amb28239821 [0,0,0,0,0,0|2,0,1]=3 212 B9R0.7 NC(CCB(O)O)C(=O)O Amb22497480 [0,0,0,0,0,0|2,0,1]=3 213 B9R0.7 NC(CCC(=O)Cl)C(=O)O Amb27816376 [0,0,0,0,0,0|1,0,0]=1 214 B9R0.7 NC(CCC(=O)O)B(O)O Amb26983348 [0,0,0,0,0,0|2,0,1]=3 215 B9R0.7 NC(CCC(=O)O)C(=O)O Amb8395158 [0,0,0,0,0,0|1,0,0]=1 216 B9R0.7 NC(CCC(=O)O)C(=O)O Amb9703098 [0,0,0,0,0,0|1,0,0]=1 217 B9R0.7 NC(CCC(=O)O)C(=O)[O-] Amb4014785 [0,0,0,0,0,0|1,0,1]=2 218 B9R0.7 NC(CCC(=O)O)C(F)F Amb19148415 [0,0,0,0,0,0|3,0,1]=4 219 B9R0.7 NC(CC[N+](=O)[O-])C(=O)O Amb27221965 [0,0,0,0,0,0|2,0,0]=2 220 B9R0.7 NC(CN[N+](=O)[O-])C(=O)O Amb27857570 [0,0,0,0,0,0|3,0,0]=3 221 B9R0.7 NC(COC(F)F)C(=O)O Amb27849786 [0,0,0,0,0,0|3,0,1]=4 222 B9R0.7 NC(CSC(=O)O)C(=O)O Amb27491502 [0,0,0,0,0,0|2,0,0]=2 223 B9R0.7 N[C@@H](CC=C(Cl)Cl)C(=O)O Amb29866596 [0,0,0,0,0,0|2,0,1]=3 224 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb34915082 [0,0,0,0,0,0|1,0,0]=1 225 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb3940322 [0,0,0,0,0,0|1,0,0]=1 226 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb8513626 [0,0,0,0,0,0|1,0,0]=1 227 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] Amb22745619 [0,0,0,0,0,0|1,0,1]=2 228 B9R0.7 N[C@@H](CCC(O)=S)C(=O)O Amb24480492 [0,0,0,0,0,0|1,0,1]=2 229 B9R0.7 N[C@@H](CCS(=O)O)C(=O)O Amb25972325 [0,0,0,0,0,0|2,0,0]=2 230 B9R0.7 N[C@@H](CC[PH](=O)O)C(=O)O Amb22904307 [0,0,0,0,0,0|2,0,0]=2 231 B9R0.7 N[C@@H](CO[N+](=O)[O-])C(=O)O Amb27793180 [0,0,0,0,0,0|3,0,0]=3 232 B9R0.7 N[C@@H](CSC(=O)O)C(=O)O Amb27666945 [0,0,0,0,0,0|2,0,0]=2 233 B9R0.7 N[C@H](CC=C(Cl)Cl)C(=O)O Amb29866643 [0,0,0,0,0,0|2,0,1]=3 234 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Amb2720565 [0,0,0,0,0,0|1,0,0]=1 235 B9R0.7 N[C@H](COC(F)F)C(=O)O Amb27637675 [0,0,0,0,0,0|3,0,1]=4 236 B9R0.7 N[C@H](CSC(F)F)C(=O)O Amb28290955 [0,0,0,0,0,0|3,0,1]=4 237 B9R0.7 O=C(Cl)SCC(=O)C(=O)O Amb33070040 [0,0,0,0,0,0|3,0,1]=4 238 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb1154117 [0,0,0,0,0,0|2,0,1]=3 239 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb16232496 [0,0,0,0,0,0|2,0,1]=3 240 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb22746233 [0,0,0,0,0,0|2,0,1]=3 241 B9R0.7 O=C(O)CCC(Br)C(=O)O Amb26568399 [0,0,0,0,0,0|2,0,0]=2 242 B9R0.7 O=C(O)CCC(Cl)C(=O)O Amb17594149 [0,0,0,0,0,0|2,0,0]=2 243 B9R0.7 O=C(O)CCC(O)C(=O)O Amb18124864 [0,0,0,0,0,0|2,0,0]=2 244 B9R0.7 O=C(O)CCC(S)C(=O)O Amb27983646 [0,0,0,0,0,0|2,0,0]=2 245 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O Amb22799690 [0,0,0,0,0,0|2,0,0]=2 246 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O Amb26885416 [0,0,0,0,0,0|2,0,0]=2 247 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O Amb26590823 [0,0,0,0,0,0|2,0,0]=2 248 B9R0.7 O=C(O)CC[C@H](O)C(=O)O Amb25948742 [0,0,0,0,0,0|2,0,0]=2 249 B9R0.7 O=C(O)CNC(=O)C(=O)O Amb2447304 [0,0,0,0,0,0|3,0,1]=4 250 B9R0.7 O=C(O)COC(=O)C(=O)O Amb28050116 [0,0,0,0,0,0|3,0,1]=4 251 B9R0.7 O=C(O)C\C=C(/Cl)C(=O)O Amb27863082 [0,0,0,0,0,0|2,0,2]=4 252 B9R0.7 O=C(O)[C@H](O)CO[PH](=O)O Amb27955235 [0,0,0,0,0,0|4,0,0]=4 253 B9R0.7 O=C([O-])CCC(=O)C(=O)O Amb22231405 [0,0,0,0,0,0|2,0,1]=3 254 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] Amb10072211 [0,0,0,0,0,0|2,0,2]=4 255 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Amb17615399 [0,0,0,0,0,0|2,0,1]=3 256 B8R0.8 C#CCCC(C)C(=O)O Amb27464960 [1,0,0,0,0,0|2,0,1]=4 257 B8R0.8 C#CCCC(N)C(=O)O Amb6277526 [1,0,0,0,0,0|1,0,1]=3 258 B8R0.8 C#CCCC(N)C(N)=O Amb25703121 [1,0,0,0,0,0|2,0,1]=4 259 B8R0.8 C#CCC[C@@H](N)C(=O)O Amb24088809 [1,0,0,0,0,0|1,0,1]=3 260 B8R0.8 C#CCC[C@H](N)C(=O)O Amb24088866 [1,0,0,0,0,0|1,0,1]=3 261 B8R0.8 C#CCC[C@H](N)C(=O)O Amb33744060 [1,0,0,0,0,0|1,0,1]=3 262 B8R0.8 C=C(CCC=O)C(C)=O Amb26006569 [1,0,0,0,0,0|2,0,1]=4 263 B8R0.8 C=C=CCC(N)C(=O)O Amb25843448 [1,0,0,0,0,0|1,0,2]=4 264 B8R0.8 C=C=CC[C@@H](N)C(=O)O Amb28070890 [1,0,0,0,0,0|1,0,2]=4 265 B8R0.8 C=CCCC(=O)C(=O)O Amb25738669 [1,0,0,0,0,0|2,0,1]=4 266 B8R0.8 C=CCCC(Br)C(=O)O Amb28047448 [1,0,0,0,0,0|2,0,0]=3 267 B8R0.8 C=CCCC(C)C(=O)O Amb18642656 [1,0,0,0,0,0|2,0,0]=3 268 B8R0.8 C=CCCC(C)C(C)=O Amb27470888 [1,0,0,0,0,0|3,0,0]=4 269 B8R0.8 C=CCCC(N)C(=O)O Amb24383848 [1,0,0,0,0,0|1,0,0]=2 270 B8R0.8 C=CCCC(N)C(=O)O Amb28934988 [1,0,0,0,0,0|1,0,0]=2 271 B8R0.8 C=CCCC(N)C(N)=O Amb24333721 [1,0,0,0,0,0|2,0,0]=3 272 B8R0.8 C=CCC[C@@H](N)C(=O)O Amb23439045 [1,0,0,0,0,0|1,0,0]=2 273 B8R0.8 C=CCC[C@@H](N)C(N)=O Amb27168705 [1,0,0,0,0,0|2,0,0]=3 274 B8R0.8 C=CCC[C@H](N)C(=O)O Amb28285244 [1,0,0,0,0,0|1,0,0]=2 275 B8R0.8 C=CCC[C@H](O)C(=O)O Amb28122952 [1,0,0,0,0,0|2,0,0]=3 276 B8R0.8 C=CCNC(C)C(=O)O Amb9326762 [1,0,0,0,0,0|3,0,0]=4 277 B8R0.8 C=CCOC(C)C(=O)O Amb9208699 [1,0,0,0,0,0|3,0,0]=4 278 B8R0.8 C=CCSC(C)C(=O)O Amb6273705 [1,0,0,0,0,0|3,0,0]=4 279 B8R0.8 C=CSCC(N)C(=O)O Amb28321669 [1,0,0,0,0,0|2,0,0]=3 280 B8R0.8 C=C\C=C\[C@H](N)C(=O)O Amb28324791 [1,0,0,0,0,0|1,0,2]=4 281 B8R0.8 CC#CCC(N)C(=O)O Amb18988250 [1,0,0,0,0,0|1,0,2]=4 282 B8R0.8 CC#CCC(N)C(=O)O Amb33551077 [1,0,0,0,0,0|1,0,2]=4 283 B8R0.8 CC#CC[C@@H](N)C(=O)O Amb22746783 [1,0,0,0,0,0|1,0,2]=4 284 B8R0.8 CC#CC[C@H](N)C(=O)O Amb27815040 [1,0,0,0,0,0|1,0,2]=4 285 B8R0.8 CC(=O)C(O)CCC=O Amb25965289 [1,0,0,0,0,0|2,0,0]=3 286 B8R0.8 CC(=O)N(C)CCC=O Amb27985872 [1,0,0,0,0,0|3,0,0]=4 287 B8R0.8 CC(=O)N(N)CCCN Amb27404575 [1,0,0,0,0,0|2,0,1]=4 288 B8R0.8 CC(=O)[C@@H](N)CCCO Amb27835141 [1,0,0,0,0,0|1,0,2]=4 289 B8R0.8 CC(CCC#N)C(=O)O Amb24462559 [1,0,0,0,0,0|1,0,2]=4 290 B8R0.8 CC(CCCCl)C(=O)O Amb2720283 [1,0,0,0,0,0|2,0,1]=4 291 B8R0.8 CC(CCCF)C(=O)O Amb25244585 [1,0,0,0,0,0|2,0,1]=4 292 B8R0.8 CC(CCCN)C(=O)O Amb25146072 [1,0,0,0,0,0|1,0,1]=3 293 B8R0.8 CC(CCCN)C(=O)O Amb32686960 [1,0,0,0,0,0|1,0,1]=3 294 B8R0.8 CC(CCCN)C(N)=O Amb27667997 [1,0,0,0,0,0|2,0,1]=4 295 B8R0.8 CC(CN=C=O)C(=O)O Amb33471309 [1,0,0,0,0,0|2,0,1]=4 296 B8R0.8 CC(OCCN)C(=O)O Amb22546285 [1,0,0,0,0,0|2,0,1]=4 297 B8R0.8 CC(SCCN)C(=O)O Amb17500447 [1,0,0,0,0,0|2,0,1]=4 298 B8R0.8 CCCCC(Br)C(=O)O Amb9703129 [1,0,0,0,0,0|2,0,1]=4 299 B8R0.8 CCCCC(C)C(=O)O Amb3939937 [1,0,0,0,0,0|2,0,1]=4 300 B8R0.8 CCCCC(Cl)C(=O)O Amb17593750 [1,0,0,0,0,0|2,0,1]=4 301 B8R0.8 CCCCC(F)C(=O)O Amb25238781 [1,0,0,0,0,0|2,0,1]=4 302 B8R0.8 CCCCC(N)C(=O)O Amb4134813 [1,0,0,0,0,0|1,0,1]=3 303 B8R0.8 CCCCC(N)C(C)=O Amb1099238 [1,0,0,0,0,0|2,0,1]=4 304 B8R0.8 CCCCC(N)C(C)=O Amb22284085 [1,0,0,0,0,0|2,0,1]=4 305 B8R0.8 CCCCC(N)C(N)=O Amb18303664 [1,0,0,0,0,0|2,0,1]=4 306 B8R0.8 CCCCC(N)[PH](=O)O Amb27863480 [1,0,0,0,0,0|2,0,1]=4 307 B8R0.8 CCCCC(O)C(=O)O Amb3941634 [1,0,0,0,0,0|2,0,1]=4 308 B8R0.8 CCCCC(S)C(=O)O Amb25323873 [1,0,0,0,0,0|2,0,1]=4 309 B8R0.8 CCCC[C@@H](C)C(=O)O Amb24590691 [1,0,0,0,0,0|2,0,1]=4 310 B8R0.8 CCCC[C@@H](Cl)C(=O)O Amb27471038 [1,0,0,0,0,0|2,0,1]=4 311 B8R0.8 CCCC[C@@H](N)C(=O)O Amb1995006 [1,0,0,0,0,0|1,0,1]=3 312 B8R0.8 CCCC[C@H](Br)C(=O)O Amb28385588 [1,0,0,0,0,0|2,0,1]=4 313 B8R0.8 CCCC[C@H](C)C(=O)O Amb25850678 [1,0,0,0,0,0|2,0,1]=4 314 B8R0.8 CCCC[C@H](Cl)C(=O)O Amb27955265 [1,0,0,0,0,0|2,0,1]=4 315 B8R0.8 CCCC[C@H](N)C(=O)O Amb1995007 [1,0,0,0,0,0|1,0,1]=3 316 B8R0.8 CCCC[C@H](N)C(N)=O Amb9813732 [1,0,0,0,0,0|2,0,1]=4 317 B8R0.8 CCCC[C@H](O)C(=O)O Amb27626002 [1,0,0,0,0,0|2,0,1]=4 318 B8R0.8 CCCSC(N)C(=O)O Amb27865736 [1,0,0,0,0,0|2,0,1]=4 319 B8R0.8 CCOCC(N)C(=O)O Amb28048685 [1,0,0,0,0,0|2,0,1]=4 320 B8R0.8 CCOCC(N)C(=O)O Amb33542705 [1,0,0,0,0,0|2,0,1]=4 321 B8R0.8 CCOC[C@@H](N)C(=O)O Amb25889733 [1,0,0,0,0,0|2,0,1]=4 322 B8R0.8 CCOC[C@@H](N)C(=O)O Amb30585227 [1,0,0,0,0,0|2,0,1]=4 323 B8R0.8 CCOC[C@H](N)C(=O)O Amb22737184 [1,0,0,0,0,0|2,0,1]=4 324 B8R0.8 CCOC[C@H](N)C(=O)O Amb24478577 [1,0,0,0,0,0|2,0,1]=4 325 B8R0.8 CCSCC(N)C(=O)O Amb6257004 [1,0,0,0,0,0|2,0,1]=4 326 B8R0.8 COCCC(C)C(=O)O Amb18523823 [1,0,0,0,0,0|3,0,0]=4 327 B8R0.8 COCCC(Cl)C(=O)O Amb27424361 [1,0,0,0,0,0|3,0,0]=4 328 B8R0.8 COCCC(N)C(=O)O Amb32675454 [1,0,0,0,0,0|2,0,0]=3 329 B8R0.8 COCCC(N)C(=O)O Amb6281324 [1,0,0,0,0,0|2,0,0]=3 330 B8R0.8 COCCC(N)C(N)=O Amb18311365 [1,0,0,0,0,0|3,0,0]=4 331 B8R0.8 COCCC(N)C(N)=O Amb32712112 [1,0,0,0,0,0|3,0,0]=4 332 B8R0.8 COCCC(O)C(=O)O Amb27647966 [1,0,0,0,0,0|3,0,0]=4 333 B8R0.8 COCC[C@@H](N)C(=O)O Amb16183870 [1,0,0,0,0,0|2,0,0]=3 334 B8R0.8 COCC[C@H](N)C(=O)O Amb16183872 [1,0,0,0,0,0|2,0,0]=3 335 B8R0.8 COCC[C@H](N)C(=O)O Amb24054991 [1,0,0,0,0,0|2,0,0]=3 336 B8R0.8 CPOC[C@H](N)C(=O)O Amb27424475 [1,0,0,0,0,0|3,0,0]=4 337 B8R0.8 CSCCC(C)C(=O)O Amb24739356 [1,0,0,0,0,0|3,0,0]=4 338 B8R0.8 CSCCC(Cl)C(=O)O Amb27468599 [1,0,0,0,0,0|3,0,0]=4 339 B8R0.8 CSCCC(N)C(=O)O Amb9703095 [1,0,0,0,0,0|2,0,0]=3 340 B8R0.8 CSCCC(N)C(C)=O Amb28388741 [1,0,0,0,0,0|3,0,0]=4 341 B8R0.8 CSCCC(N)C(N)=O Amb17142872 [1,0,0,0,0,0|3,0,0]=4 342 B8R0.8 CSCCC(N)C(N)=O Amb32752921 [1,0,0,0,0,0|3,0,0]=4 343 B8R0.8 CSCCC(O)C(=O)O Amb18304609 [1,0,0,0,0,0|3,0,0]=4 344 B8R0.8 CSCC[C@@H](N)C(=O)O Amb2720567 [1,0,0,0,0,0|2,0,0]=3 345 B8R0.8 CSCC[C@@H](N)C(=O)[O-] Amb32414686 [1,0,0,0,0,0|2,0,1]=4 346 B8R0.8 CSCC[C@@H](N)C(N)=O Amb18035930 [1,0,0,0,0,0|3,0,0]=4 347 B8R0.8 CSCC[C@@H](N)C(N)=O Amb22750575 [1,0,0,0,0,0|3,0,0]=4 348 B8R0.8 CSCC[C@@H](O)C(=O)O Amb25124092 [1,0,0,0,0,0|3,0,0]=4 349 B8R0.8 CSCC[C@H](Cl)C(=O)O Amb28286496 [1,0,0,0,0,0|3,0,0]=4 350 B8R0.8 CSCC[C@H](N)C(=O)O Amb5720611 [1,0,0,0,0,0|2,0,0]=3 351 B8R0.8 CSCC[C@H](N)C(C)=O Amb27763449 [1,0,0,0,0,0|3,0,0]=4 352 B8R0.8 CSCC[C@H](N)C(N)=O Amb8390412 [1,0,0,0,0,0|3,0,0]=4 353 B8R0.8 CSCC[C@H](N)C(N)=O Amb9813735 [1,0,0,0,0,0|3,0,0]=4 354 B8R0.8 CSCC[C@H](O)C(=O)O Amb28285270 [1,0,0,0,0,0|3,0,0]=4 355 B8R0.8 CSCOC(N)C(=O)O Amb27634144 [1,0,0,0,0,0|3,0,0]=4 356 B8R0.8 CSCO[C@H](N)C(=O)O Amb28183053 [1,0,0,0,0,0|3,0,0]=4 357 B8R0.8 CSOCC(N)C(=O)O Amb28285144 [1,0,0,0,0,0|3,0,0]=4 358 B8R0.8 CSSC[C@@H](N)C(=O)O Amb28381312 [1,0,0,0,0,0|3,0,0]=4 359 B8R0.8 CSSC[C@H](N)C(=O)O Amb28118786 [1,0,0,0,0,0|3,0,0]=4 360 B8R0.8 C[C@@H](CCC#N)C(=O)O Amb27870712 [1,0,0,0,0,0|1,0,2]=4 361 B8R0.8 C[C@@H](CCCN)C(=O)O Amb28314637 [1,0,0,0,0,0|1,0,1]=3 362 B8R0.8 C[C@@H](SCCN)C(=O)O Amb27170977 [1,0,0,0,0,0|2,0,1]=4 363 B8R0.8 C[C@H](O)[C@@H](O)CCC=O Amb28042891 [1,0,0,0,0,0|2,0,1]=4 364 B8R0.8 C[C@H](OCCN)C(=O)O Amb27479935 [1,0,0,0,0,0|2,0,1]=4 365 B8R0.8 C[Se]CCC(N)C(=O)O Amb8514803 [1,0,0,0,0,0|2,0,0]=3 366 B8R0.8 C[Se]CC[C@@H](N)C(=O)O Amb31031165 [1,0,0,0,0,0|2,0,0]=3 367 B8R0.8 C[Se]CC[C@H](N)C(=O)O Amb8514895 [1,0,0,0,0,0|2,0,0]=3 368 B8R0.8 C\C=C\CC(C)C(=O)O Amb18642630 [1,0,0,0,0,0|2,0,1]=4 369 B8R0.8 C\C=C\CC(F)C(=O)O Amb27959670 [1,0,0,0,0,0|2,0,1]=4 370 B8R0.8 C\C=C\CC(N)C(=O)O Amb6256663 [1,0,0,0,0,0|1,0,1]=3 371 B8R0.8 C\C=C\CC(N)C(N)=O Amb26904386 [1,0,0,0,0,0|2,0,1]=4 372 B8R0.8 C\C=C\C[C@@H](N)C(=O)O Amb33065673 [1,0,0,0,0,0|1,0,1]=3 373 B8R0.8 C\C=C\C[C@H](C)C(=O)O Amb28368854 [1,0,0,0,0,0|2,0,1]=4 374 B8R0.8 C\C=C\C[C@H](N)C(=O)O Amb27768785 [1,0,0,0,0,0|1,0,1]=3 375 B8R0.8 N#CCCC(Br)C(=O)O Amb27863558 [1,0,0,0,0,0|1,0,2]=4 376 B8R0.8 N#CCCC(N)C(=O)O Amb18642589 [1,0,0,0,0,0|0,0,2]=3 377 B8R0.8 N#CCCC(N)C(N)=O Amb26567424 [1,0,0,0,0,0|1,0,2]=4 378 B8R0.8 N#CCCC(O)C(=O)O Amb28239951 [1,0,0,0,0,0|1,0,2]=4 379 B8R0.8 N#CCCC([AlH5])C(=O)O Amb31132465 [1,0,0,0,0,0|1,0,2]=4 380 B8R0.8 N#CCC[C@@H](N)C(=O)O Amb25063958 [1,0,0,0,0,0|0,0,2]=3 381 B8R0.8 N#CCC[C@H](N)C(=O)O Amb16183912 [1,0,0,0,0,0|0,0,2]=3 382 B8R0.8 N#CCC[C@H](O)C(=O)O Amb28144260 [1,0,0,0,0,0|1,0,2]=4 383 B8R0.8 N#CSCC(N)C(=O)O Amb17593655 [1,0,0,0,0,0|1,0,2]=4 384 B8R0.8 NC(=O)C(N)CCCF Amb27424739 [1,0,0,0,0,0|2,0,1]=4 385 B8R0.8 NC(=O)C(N)CCCO Amb33066182 [1,0,0,0,0,0|1,0,2]=4 386 B8R0.8 NC(=O)C(N)C\C=C\Cl Amb27860856 [1,0,0,0,0,0|2,0,1]=4 387 B8R0.8 NC(=O)C(O)CNC=O Amb27784034 [1,0,0,0,0,0|3,0,0]=4 388 B8R0.8 NC(CCCBr)C(=O)O Amb24480263 [1,0,0,0,0,0|1,0,1]=3 389 B8R0.8 NC(CCCF)C(=O)O Amb25366994 [1,0,0,0,0,0|1,0,1]=3 390 B8R0.8 NC(CCCO)C(=O)O Amb18642915 [1,0,0,0,0,0|0,0,2]=3 391 B8R0.8 NC(CCCO)C(=O)O Amb22900028 [1,0,0,0,0,0|0,0,2]=3 392 B8R0.8 NC(CCCS)C(=O)O Amb27947968 [1,0,0,0,0,0|0,1,1]=3 393 B8R0.8 NC(CCNO)C(=O)O Amb28285114 [1,0,0,0,0,0|1,0,1]=3 394 B8R0.8 NC(CN=C=S)C(=O)O Amb28281778 [1,0,0,0,0,0|1,1,1]=4 395 B8R0.8 NC(C\C=C\Br)C(=O)O Amb27607572 [1,0,0,0,0,0|1,0,1]=3 396 B8R0.8 NC(C\C=C\Cl)C(=O)O Amb33037023 [1,0,0,0,0,0|1,0,1]=3 397 B8R0.8 NCCCC(Br)C(=O)O Amb17595166 [1,0,0,0,0,0|1,0,1]=3 398 B8R0.8 NCCCC(F)C(=O)O Amb27235092 [1,0,0,0,0,0|1,0,1]=3 399 B8R0.8 NCCCC(N)C(=O)O Amb22489477 [1,0,0,0,0,0|0,0,1]=2 400 B8R0.8 NCCCC(N)C(=O)O Amb4006442 [1,0,0,0,0,0|0,0,1]=2 401 B8R0.8 NCCCC(N)C(=O)O Amb9173756 [1,0,0,0,0,0|0,0,1]=2 402 B8R0.8 NCCCC(N)C(=S)S Amb27657930 [1,0,0,0,0,0|0,2,1]=4 403 B8R0.8 NCCCC(N)C(N)=O Amb24118008 [1,0,0,0,0,0|1,0,1]=3 404 B8R0.8 NCCCC(N)[PH](=O)O Amb27645413 [1,0,0,0,0,0|1,0,1]=3 405 B8R0.8 NCCC[C@@H](N)C(=O)O Amb32411789 [1,0,0,0,0,0|0,0,1]=2 406 B8R0.8 NCCC[C@@H](N)C(=O)O Amb6600152 [1,0,0,0,0,0|0,0,1]=2 407 B8R0.8 NCCC[C@@H](N)C(=O)O Amb8390415 [1,0,0,0,0,0|0,0,1]=2 408 B8R0.8 NCCC[C@H](N)C(=O)O Amb20240598 [1,0,0,0,0,0|0,0,1]=2 409 B8R0.8 NCCC[C@H](N)C(=O)O Amb22746434 [1,0,0,0,0,0|0,0,1]=2 410 B8R0.8 NCCC[C@H](N)C(=O)O Amb8513279 [1,0,0,0,0,0|0,0,1]=2 411 B8R0.8 NCCC[C@H](N)C(=O)O Amb8627869 [1,0,0,0,0,0|0,0,1]=2 412 B8R0.8 NCCC[C@H](O)C(=O)O Amb27804309 [1,0,0,0,0,0|1,0,1]=3 413 B8R0.8 NCOCC(N)C(=O)O Amb27429950 [1,0,0,0,0,0|1,0,1]=3 414 B8R0.8 NCOC[C@@H](N)C(=O)O Amb27233969 [1,0,0,0,0,0|1,0,1]=3 415 B8R0.8 NC\C=C\[C@H](N)C(=O)O Amb24580033 [1,0,0,0,0,0|0,0,3]=4 416 B8R0.8 NOCCC(N)C(=O)O Amb17593409 [1,0,0,0,0,0|1,0,0]=2 417 B8R0.8 NOCCC(N)C(=O)O Amb21858490 [1,0,0,0,0,0|1,0,0]=2 418 B8R0.8 NOCC[C@H](N)C(=O)O Amb26346874 [1,0,0,0,0,0|1,0,0]=2 419 B8R0.8 NOCC[C@H](N)C(=O)O Amb33038084 [1,0,0,0,0,0|1,0,0]=2 420 B8R0.8 N[C@@H](CCCCl)C(=O)O Amb27227989 [1,0,0,0,0,0|1,0,1]=3 421 B8R0.8 N[C@@H](CCCF)C(=O)O Amb27223043 [1,0,0,0,0,0|1,0,1]=3 422 B8R0.8 N[C@@H](CCCO)C(=O)O Amb16183887 [1,0,0,0,0,0|0,0,2]=3 423 B8R0.8 N[C@@H](CCNO)C(=O)O Amb24117852 [1,0,0,0,0,0|1,0,1]=3 424 B8R0.8 N[C@@H](CSCO)C(=O)O Amb27470985 [1,0,0,0,0,0|1,0,2]=4 425 B8R0.8 N[C@@H](CSN=O)C(=O)O Amb28182982 [1,0,0,0,0,0|2,0,0]=3 426 B8R0.8 N[C@@H](C\C=C\Cl)C(=O)O Amb33065741 [1,0,0,0,0,0|1,0,1]=3 427 B8R0.8 N[C@H](CCCBr)C(=O)O Amb26080278 [1,0,0,0,0,0|1,0,1]=3 428 B8R0.8 N[C@H](CCCF)C(=O)O Amb26908418 [1,0,0,0,0,0|1,0,1]=3 429 B8R0.8 N[C@H](CCCO)C(=O)O Amb28120579 [1,0,0,0,0,0|0,0,2]=3 430 B8R0.8 N[C@H](CCCO)C(=O)O Amb34913429 [1,0,0,0,0,0|0,0,2]=3 431 B8R0.8 N[C@H](CSN=O)C(=O)O Amb27845439 [1,0,0,0,0,0|2,0,0]=3 432 B8R0.8 N[C@H](C\C=C\Cl)C(=O)O Amb33309034 [1,0,0,0,0,0|1,0,1]=3 433 B8R0.8 O=C(O)C(Br)CCCCl Amb17595866 [1,0,0,0,0,0|2,0,1]=4 434 B8R0.8 O=C(O)C(Br)CCCO Amb28313364 [1,0,0,0,0,0|1,0,2]=4 435 B8R0.8 O=C(O)C(O)CCCF Amb33196454 [1,0,0,0,0,0|2,0,1]=4 436 B8R0.8 O=C(O)C(O)CCCO Amb18642939 [1,0,0,0,0,0|1,0,2]=4 437 B8R0.8 O=C=NC[C@@H](F)C(=O)O Amb33037069 [1,0,0,0,0,0|2,0,1]=4 438 B8R0.8 O=CCCC(=O)C(=O)O Amb27882544 [1,0,0,0,0,0|1,0,1]=3 439 B8R0.8 O=CCCC(=O)C(=O)O Amb32670694 [1,0,0,0,0,0|1,0,1]=3 440 B8R0.8 O=CNC[C@@H](O)C(=O)O Amb27637039 [1,0,0,0,0,0|2,0,0]=3 441 B8R0.8 O=COCC(Cl)C(=O)O Amb27477082 [1,0,0,0,0,0|2,0,0]=3 442 B8R0.8 [N-]=[N+]=NCC(N)C(=O)O Amb28342834 [1,0,0,0,0,0|2,0,1]=4 443 B8R0.8 [N-]=[N+]=NCC(N)C(=O)O Amb35752605 [1,0,0,0,0,0|2,0,1]=4 444 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O Amb26007532 [1,0,0,0,0,0|2,0,1]=4 445 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O Amb33734276 [1,0,0,0,0,0|2,0,1]=4 446 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O Amb25072668 [1,0,0,0,0,0|2,0,1]=4 447 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O Amb30586485 [1,0,0,0,0,0|2,0,1]=4 448 B8R0.9 C#CC(C)CCC(N)=O Amb27602261 [1,0,0,0,0,0|2,0,1]=4 449 B8R0.9 C#CC(N)CCC(=O)O Amb22352566 [1,0,0,0,0,0|2,0,1]=4 450 B8R0.9 C=C(C=O)CCC(=O)O Amb27655564 [1,0,0,0,0,0|2,0,1]=4 451 B8R0.9 C=CC(C)CCC(C)=O Amb26390728 [1,0,0,0,0,0|3,0,0]=4 452 B8R0.9 C=CC(N)CCC(=O)O Amb10843623 [1,0,0,0,0,0|2,0,0]=3 453 B8R0.9 C=CC(N)CCC(=O)O Amb22056347 [1,0,0,0,0,0|2,0,0]=3 454 B8R0.9 C=CC(O)CCC(=O)O Amb25785193 [1,0,0,0,0,0|3,0,0]=4 455 B8R0.9 C=CC([NH3+])CCC(=O)O Amb10845648 [1,0,0,0,0,0|2,0,1]=4 456 B8R0.9 C=C[C@H](N)CCC(=O)O Amb25694354 [1,0,0,0,0,0|2,0,0]=3 457 B8R0.9 C=C[C@H](O)CCC(=O)O Amb27168215 [1,0,0,0,0,0|3,0,0]=4 458 B8R0.9 CC(=O)CCC(C)C=O Amb18642612 [1,0,0,0,0,0|2,0,0]=3 459 B8R0.9 CC(=O)CCC(C)CO Amb27838673 [1,0,0,0,0,0|2,0,1]=4 460 B8R0.9 CC(=O)CCC(F)CO Amb25200909 [1,0,0,0,0,0|2,0,1]=4 461 B8R0.9 CC(=O)CCN(C)C=O Amb27802453 [1,0,0,0,0,0|3,0,0]=4 462 B8R0.9 CC(=O)NCC(C)C=O Amb27485699 [1,0,0,0,0,0|3,0,0]=4 463 B8R0.9 CC(=O)NCC(N)NO Amb27413098 [1,0,0,0,0,0|3,0,0]=4 464 B8R0.9 CC(=O)OCC(N)CO Amb33140919 [1,0,0,0,0,0|2,0,1]=4 465 B8R0.9 CC(=O)OC[C@H](C)C=O Amb27230590 [1,0,0,0,0,0|3,0,0]=4 466 B8R0.9 CC(=O)SCC(C)C=O Amb27827463 [1,0,0,0,0,0|3,0,0]=4 467 B8R0.9 CC(C=O)CC[N+](=O)[O-] Amb27985090 [1,0,0,0,0,0|3,0,0]=4 468 B8R0.9 CC(CCC(=O)O)NO Amb27945567 [1,0,0,0,0,0|3,0,0]=4 469 B8R0.9 CC(CO)CNC(N)=O Amb18832521 [1,0,0,0,0,0|2,0,1]=4 470 B8R0.9 CC(CO)SCC(N)=O Amb27969999 [1,0,0,0,0,0|2,0,1]=4 471 B8R0.9 CCC(N)CCC(=O)O Amb21961489 [1,0,0,0,0,0|2,0,1]=4 472 B8R0.9 CCC(N)CCC(=O)O Amb5717972 [1,0,0,0,0,0|2,0,1]=4 473 B8R0.9 CCC(N)CCC(N)=O Amb27194979 [1,0,0,0,0,0|1,0,1]=3 474 B8R0.9 CCC(N)CNC(N)=O Amb27437062 [1,0,0,0,0,0|2,0,1]=4 475 B8R0.9 CCC(O)CCC(N)=O Amb27234638 [1,0,0,0,0,0|2,0,1]=4 476 B8R0.9 CC[C@@H](O)CCC(N)=O Amb27254154 [1,0,0,0,0,0|2,0,1]=4 477 B8R0.9 CC[C@H](C)CCC(N)=O Amb28346481 [1,0,0,0,0,0|2,0,1]=4 478 B8R0.9 CN(C=O)CCC(N)=S Amb27771196 [1,0,0,0,0,0|2,1,0]=4 479 B8R0.9 CN(CCC(N)=O)N=O Amb27487572 [1,0,0,0,0,0|3,0,0]=4 480 B8R0.9 CS(=O)CCC(N)CO Amb27867840 [1,0,0,0,0,0|2,0,1]=4 481 B8R0.9 CSC(C)CCC(N)=O Amb27247670 [1,0,0,0,0,0|3,0,0]=4 482 B8R0.9 N#CC(N)CCC(=O)O Amb27596135 [1,0,0,0,0,0|2,0,1]=4 483 B8R0.9 N#CC(N)CCC(=O)O Amb30666632 [1,0,0,0,0,0|2,0,1]=4 484 B8R0.9 NC(=O)CCC(O)CO Amb28073389 [1,0,0,0,0,0|1,0,1]=3 485 B8R0.9 NC(=O)CC[C@H](N)CF Amb27431484 [1,0,0,0,0,0|1,0,1]=3 486 B8R0.9 NC(=O)CC[C@H](N)CO Amb24368577 [1,0,0,0,0,0|0,0,1]=2 487 B8R0.9 NC(=O)CNC(=O)C=O Amb27236949 [1,0,0,0,0,0|2,0,1]=4 488 B8R0.9 NC(=O)NC\C(N)=N\O Amb27487653 [1,0,0,0,0,0|2,0,1]=4 489 B8R0.9 NC(=O)OCC(N)CO Amb27956487 [1,0,0,0,0,0|1,0,1]=3 490 B8R0.9 NC(CCl)CCC(=O)O Amb27440510 [1,0,0,0,0,0|2,0,1]=4 491 B8R0.9 NC(CF)CCC(=O)Cl Amb27876552 [1,0,0,0,0,0|2,0,1]=4 492 B8R0.9 NC(CF)CCC(=O)O Amb19148378 [1,0,0,0,0,0|2,0,1]=4 493 B8R0.9 NC(CF)CCC(=O)O Amb33473114 [1,0,0,0,0,0|2,0,1]=4 494 B8R0.9 NC(CO)CCC(=O)O Amb18642916 [1,0,0,0,0,0|1,0,1]=3 495 B8R0.9 NC(CO)CCC(=O)O Amb32665461 [1,0,0,0,0,0|1,0,1]=3 496 B8R0.9 NC(CS)CCC(=O)O Amb27458291 [1,0,0,0,0,0|1,1,1]=4 497 B8R0.9 NCC(N)CCC(=O)O Amb19328773 [1,0,0,0,0,0|2,0,1]=4 498 B8R0.9 NCC(N)CCC(=O)O Amb27837536 [1,0,0,0,0,0|2,0,1]=4 499 B8R0.9 NC[C@H](N)CCC(=O)O Amb28068164 [1,0,0,0,0,0|2,0,1]=4 500 B8R0.9 N[C@@H](CS)CCC(=O)O Amb28341808 [1,0,0,0,0,0|1,1,1]=4 501 B8R0.9 N[C@H](CF)CCC(=O)O Amb32729481 [1,0,0,0,0,0|2,0,1]=4 502 B8R0.9 N[C@H](CO)CCC(=O)O Amb24685421 [1,0,0,0,0,0|1,0,1]=3 503 B8R0.9 N[C@H](CO)CCC(=O)O Amb32664911 [1,0,0,0,0,0|1,0,1]=3 504 B8R0.9 O=CC(=O)CCC(=O)O Amb18642737 [1,0,0,0,0,0|2,0,1]=4 505 B8R0.28 C=C(C)CCCC(=O)O Amb2699907 [1,0,0,0,0,0|2,0,0]=3 506 B8R0.28 C=C(C)CCCC(C)=O Amb17739959 [1,0,0,0,0,0|3,0,0]=4 507 B8R0.28 C=C(C)CCCC(N)=O Amb27837767 [1,0,0,0,0,0|2,0,0]=3 508 B8R0.28 C=C(C)CSCC(=O)O Amb6280447 [1,0,0,0,0,0|3,0,0]=4 509 B8R0.28 C=C(Cl)CCCC(N)=O Amb27253854 [1,0,0,0,0,0|2,0,0]=3 510 B8R0.28 C=C(F)CCCC(=O)O Amb22641515 [1,0,0,0,0,0|2,0,0]=3 511 B8R0.28 CC(=N)NCCC(N)=O Amb28049611 [1,0,0,0,0,0|3,0,0]=4 512 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [1,0,0,0,0,0|1,0,0]=2 513 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [1,0,0,0,0,0|2,0,0]=3 514 B8R0.28 CC(=O)CCCC(C)N Amb27483216 [1,0,0,0,0,0|2,0,1]=4 515 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [1,0,0,0,0,0|1,0,0]=2 516 B8R0.28 CC(=O)CCC[N+](=O)[O-] Amb18203187 [1,0,0,0,0,0|2,0,1]=4 517 B8R0.28 CC(=O)CCNC(C)=O Amb17102868 [1,0,0,0,0,0|3,0,0]=4 518 B8R0.28 CC(=O)CCOC(C)=O Amb4605918 [1,0,0,0,0,0|3,0,0]=4 519 B8R0.28 CC(=O)CSCC(=O)O Amb26415891 [1,0,0,0,0,0|2,0,0]=3 520 B8R0.28 CC(=O)CSCC(=O)[O-] Amb20622616 [1,0,0,0,0,0|2,0,1]=4 521 B8R0.28 CC(=O)CSCC(N)=O Amb27411260 [1,0,0,0,0,0|2,0,0]=3 522 B8R0.28 CC(=O)NCCC(=O)O Amb1104704 [1,0,0,0,0,0|2,0,0]=3 523 B8R0.28 CC(=O)NCCC(N)=O Amb8997734 [1,0,0,0,0,0|2,0,0]=3 524 B8R0.28 CC(=O)NCCC(N)=S Amb17232012 [1,0,0,0,0,0|2,1,0]=4 525 B8R0.28 CC(=O)NCCS(=O)O Amb27638053 [1,0,0,0,0,0|3,0,0]=4 526 B8R0.28 CC(=O)NOCC(=O)O Amb25921073 [1,0,0,0,0,0|3,0,0]=4 527 B8R0.28 CC(=O)OCCC(=O)O Amb18642866 [1,0,0,0,0,0|2,0,0]=3 528 B8R0.28 CC(=O)OCCC(N)=O Amb25921090 [1,0,0,0,0,0|2,0,0]=3 529 B8R0.28 CC(=O)OCCS(N)=O Amb32720403 [1,0,0,0,0,0|3,0,0]=4 530 B8R0.28 CC(=O)SCCC(=O)Cl Amb26637117 [1,0,0,0,0,0|3,0,0]=4 531 B8R0.28 CC(=O)SCCC(=O)O Amb17607685 [1,0,0,0,0,0|2,0,0]=3 532 B8R0.28 CC(=O)\C=C\CC(=O)O Amb26900226 [1,0,0,0,0,0|1,0,2]=4 533 B8R0.28 CC(C)=CCCC(=O)O Amb10601609 [1,0,0,0,0,0|2,0,1]=4 534 B8R0.28 CC(C)CCCC(=O)O Amb3941255 [1,0,0,0,0,0|2,0,1]=4 535 B8R0.28 CC(Cl)CCCC(N)=O Amb27869185 [1,0,0,0,0,0|2,0,1]=4 536 B8R0.28 CC(F)CCCC(=O)O Amb28144031 [1,0,0,0,0,0|2,0,1]=4 537 B8R0.28 CC(N)CCCC(=O)O Amb22059416 [1,0,0,0,0,0|1,0,1]=3 538 B8R0.28 CC(N)CCCC(=O)O Amb28934990 [1,0,0,0,0,0|1,0,1]=3 539 B8R0.28 CC(N)CSCC(=O)O Amb27221487 [1,0,0,0,0,0|2,0,1]=4 540 B8R0.28 CC(O)CCCC(=O)O Amb2371277 [1,0,0,0,0,0|1,0,2]=4 541 B8R0.28 CC(O)CCCC(=O)[O-] Amb17615415 [1,0,0,0,0,0|2,0,1]=4 542 B8R0.28 CC(O)CCCC(N)=S Amb27265713 [1,0,0,0,0,0|1,1,1]=4 543 B8R0.28 CC(O)COCC(N)=O Amb27216633 [1,0,0,0,0,0|2,0,1]=4 544 B8R0.28 CN(C)CCCC(=O)O Amb2716225 [1,0,0,0,0,0|3,0,0]=4 545 B8R0.28 CN(C)CCCC(=O)O Amb9176338 [1,0,0,0,0,0|3,0,0]=4 546 B8R0.28 CN(C)CCCC(N)=O Amb25887462 [1,0,0,0,0,0|3,0,0]=4 547 B8R0.28 C[C@H](O)CNCC(N)=O Amb27879357 [1,0,0,0,0,0|2,0,1]=4 548 B8R0.28 C[NH+](C)CCCC(=O)O Amb9786711 [1,0,0,0,0,0|3,0,0]=4 549 B8R0.28 N=C(N)CCCC(=N)N Amb2696308 [1,0,0,0,0,0|3,0,0]=4 550 B8R0.28 N=C(N)CSCC(=O)O Amb28040821 [1,0,0,0,0,0|2,0,0]=3 551 B8R0.28 N=C(N)CSCC(N)=O Amb23313355 [1,0,0,0,0,0|3,0,0]=4 552 B8R0.28 N=C(N)NCCC(=O)O Amb3940732 [1,0,0,0,0,0|2,0,0]=3 553 B8R0.28 N=C(N)NCCC(N)=O Amb27215299 [1,0,0,0,0,0|3,0,0]=4 554 B8R0.28 N=C(N)NCCS(=O)O Amb25103204 [1,0,0,0,0,0|3,0,0]=4 555 B8R0.28 N=C(N)NNCC(=O)O Amb27394477 [1,0,0,0,0,0|3,0,0]=4 556 B8R0.28 N=C(N)NOCC(=O)O Amb27165927 [1,0,0,0,0,0|3,0,0]=4 557 B8R0.28 N=C(N)SCCC(=O)O Amb1043190 [1,0,0,0,0,0|2,0,0]=3 558 B8R0.28 NC(=O)CCCC(=O)O Amb5718388 [1,0,0,0,0,0|0,0,0]=1 559 B8R0.28 NC(=O)CCC[N+](=O)[O-] Amb22432425 [1,0,0,0,0,0|1,0,1]=3 560 B8R0.28 NC(=O)CCSC(N)=O Amb28045967 [1,0,0,0,0,0|2,0,0]=3 561 B8R0.28 NC(=O)CNCC(N)=O Amb6714597 [1,0,0,0,0,0|2,0,0]=3 562 B8R0.28 NC(=O)COCC(=O)O Amb3429648 [1,0,0,0,0,0|1,0,0]=2 563 B8R0.28 NC(=O)COCC(N)=O Amb4442013 [1,0,0,0,0,0|2,0,0]=3 564 B8R0.28 NC(=O)CONC(N)=O Amb27172154 [1,0,0,0,0,0|3,0,0]=4 565 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [1,0,0,0,0,0|1,0,0]=2 566 B8R0.28 NC(=O)CSCC(N)=O Amb6374270 [1,0,0,0,0,0|2,0,0]=3 567 B8R0.28 NC(=O)NCCC(=O)O Amb6567400 [1,0,0,0,0,0|1,0,0]=2 568 B8R0.28 NC(=O)NOCC(=O)O Amb28285979 [1,0,0,0,0,0|2,0,0]=3 569 B8R0.28 NC(=O)N\C=C/C(=O)O Amb28437236 [1,0,0,0,0,0|1,0,2]=4 570 B8R0.28 NC(=O)N\C=C\C(=O)O Amb541061 [1,0,0,0,0,0|1,0,2]=4 571 B8R0.28 NC(=O)N\N=C\C(=O)O Amb10552378 [1,0,0,0,0,0|2,0,1]=4 572 B8R0.28 NC(=O)SCCC(=O)O Amb28340935 [1,0,0,0,0,0|1,0,0]=2 573 B8R0.28 NC(=S)CCCC(=O)O Amb27956588 [1,0,0,0,0,0|0,1,0]=2 574 B8R0.28 NC(=S)NCCC(=O)O Amb27815302 [1,0,0,0,0,0|1,1,0]=3 575 B8R0.28 NC(=S)SCCC(=O)O Amb4007391 [1,0,0,0,0,0|1,1,0]=3 576 B8R0.28 O=C(Cl)CCCC(=O)Cl Amb3940242 [1,0,0,0,0,0|2,0,0]=3 577 B8R0.28 O=C(Cl)COCC(=O)Cl Amb22228240 [1,0,0,0,0,0|3,0,0]=4 578 B8R0.28 O=C(O)CCCC(=O)O Amb4037276 [1,0,0,0,0,0|1,0,0]=2 579 B8R0.28 O=C(O)CCCC(F)F Amb24117996 [1,0,0,0,0,0|2,0,1]=4 580 B8R0.28 O=C(O)CCCN(Cl)Cl Amb28313437 [1,0,0,0,0,0|3,0,0]=4 581 B8R0.28 O=C(O)CCC[N+](=O)[O-] Amb24711043 [1,0,0,0,0,0|2,0,0]=3 582 B8R0.28 O=C(O)CCO[N+](=O)[O-] Amb21953424 [1,0,0,0,0,0|3,0,0]=4 583 B8R0.28 O=C(O)CNCC(=O)O Amb3940364 [1,0,0,0,0,0|2,0,0]=3 584 B8R0.28 O=C(O)COCC(=O)O Amb4433967 [1,0,0,0,0,0|2,0,0]=3 585 B8R0.28 O=C(O)CSCC(=O)O Amb6608738 [1,0,0,0,0,0|2,0,0]=3 586 B8R0.28 O=C(O)\C=C/CC(=O)O Amb27882014 [1,0,0,0,0,0|1,0,2]=4 587 B8R0.28 O=C(O)\C=C\CC(=O)O Amb1154189 [1,0,0,0,0,0|1,0,2]=4 588 B8R0.28 O=C([O-])COCC(=O)O Amb9787328 [1,0,0,0,0,0|2,0,0]=3 589 B10R0.12 CC(C)(C)C(N)CCC(N)=O Amb27989317 [0,1,0,0,0,0|2,0,1]=4 590 B10R0.12 NC(=O)CCC(N)C(F)(F)F Amb25384111 [0,1,0,0,0,0|2,0,1]=4 591 B10R0.12 NC(=O)CC[C@H](N)C(F)(F)F Amb27272549 [0,1,0,0,0,0|2,0,1]=4 592 B10R0.12 NC(CCC(=O)O)P(=O)(O)O Amb28388181 [0,1,0,0,0,0|2,0,0]=3 593 B10R0.13 CC(=O)C(C)C(C)CC(=O)O Amb18645031 [0,1,0,0,0,0|3,0,0]=4 594 B10R0.13 CC(=O)CC(C)C(C)C(=O)O Amb18126130 [0,1,0,0,0,0|2,0,0]=3 595 B10R0.13 CC(=O)CC(C)C(Cl)C(C)=O Amb27990141 [0,1,0,0,0,0|3,0,0]=4 596 B10R0.13 CC(=O)NC(C)C(C)C(=O)O Amb28137397 [0,1,0,0,0,0|3,0,0]=4 597 B10R0.13 CC(=O)N[C@@H](C)[C@H](O)C(=O)O Amb27477763 [0,1,0,0,0,0|3,0,0]=4 598 B10R0.13 CC(=O)OC(C)C(N)C(=O)O Amb25385009 [0,1,0,0,0,0|2,0,0]=3 599 B10R0.13 CC(=O)O[C@@H](C)[C@@H](N)C(=O)O Amb22747815 [0,1,0,0,0,0|2,0,0]=3 600 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O Amb27272567 [0,1,0,0,0,0|2,0,0]=3 601 B10R0.13 CC(C(=O)O)S(=O)CC(N)=O Amb18304636 [0,1,0,0,0,0|2,0,0]=3 602 B10R0.13 CC(C(N)=O)N(C)CC(N)=O Amb18179876 [0,1,0,0,0,0|3,0,0]=4 603 B10R0.13 CC(C)CC(C)C(N)C(=O)O Amb25384855 [0,1,0,0,0,0|2,0,1]=4 604 B10R0.13 CC(C)CC(C)C(N)C(=O)O Amb33329315 [0,1,0,0,0,0|2,0,1]=4 605 B10R0.13 CC(C)CC(C)[C@@H](N)C(=O)O Amb27671005 [0,1,0,0,0,0|2,0,1]=4 606 B10R0.13 CC(C)CC(C)[C@H](N)C(=O)O Amb27671004 [0,1,0,0,0,0|2,0,1]=4 607 B10R0.13 CC(C)CC(O)C(N)C(=O)O Amb26992515 [0,1,0,0,0,0|2,0,1]=4 608 B10R0.13 CC(C)C[C@@H](O)[C@@H](N)C(=O)O Amb27990182 [0,1,0,0,0,0|2,0,1]=4 609 B10R0.13 CC(C)C[C@@H](O)[C@H](N)C(=O)O Amb27990181 [0,1,0,0,0,0|2,0,1]=4 610 B10R0.13 CC(C)C[C@H](O)[C@H](N)C(=O)O Amb27271131 [0,1,0,0,0,0|2,0,1]=4 611 B10R0.13 CC(CC(=O)O)C(C)C(=O)O Amb4009129 [0,1,0,0,0,0|2,0,0]=3 612 B10R0.13 CC(CC(=O)O)C(N)C(=O)O Amb23440872 [0,1,0,0,0,0|1,0,0]=2 613 B10R0.13 CC(CC(=O)O)C(N)C(N)=O Amb27989322 [0,1,0,0,0,0|2,0,0]=3 614 B10R0.13 CC(CC(=O)O)[C@H](N)C(=O)O Amb26990553 [0,1,0,0,0,0|1,0,0]=2 615 B10R0.13 CC(CC(N)=O)C(N)C(=O)O Amb27989323 [0,1,0,0,0,0|0,0,0]=1 616 B10R0.13 CC(CC(N)=O)N(C)C(N)=O Amb27989315 [0,1,0,0,0,0|3,0,0]=4 617 B10R0.13 CC(CN(C)C)C(N)C(=O)O Amb33066048 [0,1,0,0,0,0|3,0,0]=4 618 B10R0.13 CC(CN(C)C)[C@@H](N)C(=O)O Amb33036586 [0,1,0,0,0,0|3,0,0]=4 619 B10R0.13 CC(CN(C)C)[C@H](N)C(=O)O Amb33066275 [0,1,0,0,0,0|3,0,0]=4 620 B10R0.13 CC(NC(=N)N)C(N)C(=O)O Amb28239770 [0,1,0,0,0,0|2,0,0]=3 621 B10R0.13 CC(OC(N)=O)C(N)C(=O)O Amb26082810 [0,1,0,0,0,0|1,0,0]=2 622 B10R0.13 CC(SC(=N)N)C(Cl)C(=O)O Amb27990077 [0,1,0,0,0,0|3,0,0]=4 623 B10R0.13 C[C@@H](CC(=O)O)[C@@H](N)C(=O)O Amb19133152 [0,1,0,0,0,0|1,0,0]=2 624 B10R0.13 C[C@@H](CC(=O)O)[C@H](N)C(=O)O Amb28388115 [0,1,0,0,0,0|1,0,0]=2 625 B10R0.13 C[C@H](CC(=O)O)[C@@H](N)C(=O)O Amb28388114 [0,1,0,0,0,0|1,0,0]=2 626 B10R0.13 NC(=O)CC(O)C(N)C(N)=O Amb28080520 [0,1,0,0,0,0|1,0,0]=2 627 B10R0.13 NC(=O)C[C@@H](O)[C@@H](N)C(=O)O Amb27990186 [0,1,0,0,0,0|0,0,0]=1 628 B10R0.13 NC(=O)[C@@H](N)[C@H](O)CC(=O)O Amb27990184 [0,1,0,0,0,0|2,0,0]=3 629 B10R0.13 NC(=O)[C@H](N)[C@H](O)CC(=O)O Amb27990185 [0,1,0,0,0,0|2,0,0]=3 630 B10R0.13 NC(=S)NC(=O)C(N)C(=O)O Amb27409023 [0,1,0,0,0,0|1,1,1]=4 631 B10R0.13 NC(C(=O)O)C(O)CC(=O)O Amb25383245 [0,1,0,0,0,0|1,0,0]=2 632 B10R0.13 NC(C(=O)O)\C(Cl)=C\C(=O)O Amb24374819 [0,1,0,0,0,0|1,0,2]=4 633 B10R0.13 NC(CC(=O)O)C(O)C(=O)O Amb26083654 [0,1,0,0,0,0|2,0,0]=3 634 B10R0.13 NC(CC(=O)O)[C@H](N)C(=O)O Amb24764806 [0,1,0,0,0,0|1,0,0]=2 635 B10R0.13 N[C@@H](C(=O)O)[C@@H](O)CC(=O)O Amb27990015 [0,1,0,0,0,0|1,0,0]=2 636 B10R0.13 N[C@H](C(=O)O)C(F)CC(=O)O Amb26083316 [0,1,0,0,0,0|1,0,0]=2 637 B10R0.13 O=C(O)CC(Br)C(=O)C(=O)O Amb33756838 [0,1,0,0,0,0|2,0,1]=4 638 B10R0.43 CC(=O)C(C)(C)CCC(=O)O Amb18126156 [0,1,0,0,0,0|3,0,0]=4 639 B10R0.43 CC(=O)CCC(C)(C)C(=O)O Amb18645019 [0,1,0,0,0,0|2,0,0]=3 640 B10R0.43 CC(=O)CCC(C)(C)C(C)=O Amb27269948 [0,1,0,0,0,0|3,0,0]=4 641 B10R0.43 CC(=O)CCC(C)(N)C(N)=O Amb27989320 [0,1,0,0,0,0|2,0,0]=3 642 B10R0.43 CC(=O)NCC(C)(C)C(=O)O Amb33548160 [0,1,0,0,0,0|3,0,0]=4 643 B10R0.43 CC(=O)NCC(C)(O)C(=O)O Amb28044387 [0,1,0,0,0,0|3,0,0]=4 644 B10R0.43 CC(=O)NCC(F)(F)C(=O)O Amb27840273 [0,1,0,0,0,0|3,0,0]=4 645 B10R0.43 CC(=O)OCC(C)(C)C(=O)O Amb27269198 [0,1,0,0,0,0|3,0,0]=4 646 B10R0.43 CC(=O)SCC(C)(C)C(=O)O Amb27818773 [0,1,0,0,0,0|3,0,0]=4 647 B10R0.43 CC(C)(CCC(=O)Cl)C(=O)Cl Amb26998072 [0,1,0,0,0,0|3,0,0]=4 648 B10R0.43 CC(C)(CCC(=O)O)C(=O)O Amb2721065 [0,1,0,0,0,0|2,0,0]=3 649 B10R0.43 CC(C)(CNC(N)=O)C(=O)O Amb27401824 [0,1,0,0,0,0|2,0,0]=3 650 B10R0.43 CC(C)(CSC(=N)N)C(=O)O Amb27269273 [0,1,0,0,0,0|3,0,0]=4 651 B10R0.43 CC(C)(NCC(=O)O)C(=O)O Amb27000181 [0,1,0,0,0,0|3,0,0]=4 652 B10R0.43 CC(C)(NCC(N)=O)C(=O)O Amb18306733 [0,1,0,0,0,0|2,0,0]=3 653 B10R0.43 CC(C)(NCC(N)=O)C(N)=O Amb19010563 [0,1,0,0,0,0|3,0,0]=4 654 B10R0.43 CC(C)(SCC(=O)O)C(=O)O Amb17501462 [0,1,0,0,0,0|3,0,0]=4 655 B10R0.43 CC(C)(SCC(N)=O)C(=O)O Amb17501450 [0,1,0,0,0,0|2,0,0]=3 656 B10R0.43 CC(C)=CCC(C)(N)C(=O)O Amb27176549 [0,1,0,0,0,0|2,0,1]=4 657 B10R0.43 CC(C)CCC(C)(N)C(=O)O Amb4134835 [0,1,0,0,0,0|2,0,1]=4 658 B10R0.43 CC(C)CCC(C)(N)C(=O)O Amb7969761 [0,1,0,0,0,0|2,0,1]=4 659 B10R0.43 CC(N)(CCC(=O)O)C(=O)O Amb22801426 [0,1,0,0,0,0|1,0,0]=2 660 B10R0.43 CC(N)(CCC(=O)O)C(=O)O Amb3940869 [0,1,0,0,0,0|1,0,0]=2 661 B10R0.43 CC(N)(\C=C\C(=O)O)C(=O)O Amb27401910 [0,1,0,0,0,0|1,0,2]=4 662 B10R0.43 CN(C)CCC(C)(N)C(=O)O Amb18800387 [0,1,0,0,0,0|3,0,0]=4 663 B10R0.43 C[C@@](N)(CCC(=O)O)C(=O)O Amb8629033 [0,1,0,0,0,0|1,0,0]=2 664 B10R0.43 C[C@](N)(CCC(=O)O)C(=O)O Amb8629032 [0,1,0,0,0,0|1,0,0]=2 665 B10R0.43 NC(=O)C(N)(O)CCC(=O)O Amb28080506 [0,1,0,0,0,0|2,0,0]=3 666 B10R0.43 NC(=O)C(O)(Cl)CCC(=O)O Amb27990215 [0,1,0,0,0,0|3,0,0]=4 667 B10R0.43 NC(=O)CCC(N)(F)C(=O)O Amb10839407 [0,1,0,0,0,0|0,0,0]=1 668 B10R0.43 NC(N)(CCC(=O)O)C(=O)O Amb26076861 [0,1,0,0,0,0|1,0,0]=2 669 B10R0.43 O=C(O)CCC(F)(F)C(=O)O Amb22263070 [0,1,0,0,0,0|2,0,0]=3 670 B10R0.43 O=C(O)CCC(O)(O)C(=O)O Amb27271130 [0,1,0,0,0,0|2,0,0]=3 671 B10R0.57 C#CC(=O)N(C)CCC(N)=O Amb27272020 [0,1,0,0,0,0|3,0,0]=4 672 B10R0.57 C=C(C)CCC(N)C(=O)OC Amb33309178 [0,1,0,0,0,0|2,0,0]=3 673 B10R0.57 CNC(=O)C(N)CCC(=O)O Amb27987066 [0,1,0,0,0,0|2,0,0]=3 674 B10R0.57 CNC(=O)[C@@H](N)CCC(=O)O Amb27671844 [0,1,0,0,0,0|2,0,0]=3 675 B10R0.57 COC(=O)C(C)CNC(C)=O Amb25385897 [0,1,0,0,0,0|3,0,0]=4 676 B10R0.57 COC(=O)C(C)NNC(N)=O Amb26084075 [0,1,0,0,0,0|3,0,0]=4 677 B10R0.57 COC(=O)C(Cl)CSC(C)=O Amb33620490 [0,1,0,0,0,0|3,0,0]=4 678 B10R0.57 COC(=O)C(N)CC=C(C)C Amb26077073 [0,1,0,0,0,0|2,0,1]=4 679 B10R0.57 COC(=O)C(N)CC=C(Cl)Cl Amb33036714 [0,1,0,0,0,0|2,0,1]=4 680 B10R0.57 COC(=O)C(N)CCC(C)=O Amb32645698 [0,1,0,0,0,0|1,0,0]=2 681 B10R0.57 COC(=O)C(N)CCC(C)C Amb32645736 [0,1,0,0,0,0|2,0,1]=4 682 B10R0.57 COC(=O)C(N)CCC(C)C Amb33339193 [0,1,0,0,0,0|2,0,1]=4 683 B10R0.57 COC(=O)C(N)CCC(C)O Amb33065655 [0,1,0,0,0,0|1,0,2]=4 684 B10R0.57 COC(=O)C(N)CCC(N)=O Amb32752608 [0,1,0,0,0,0|0,0,0]=1 685 B10R0.57 COC(=O)C(N)CCN(C)C Amb18787991 [0,1,0,0,0,0|3,0,0]=4 686 B10R0.57 COC(=O)C(N)CCS(C)=O Amb18648234 [0,1,0,0,0,0|2,0,0]=3 687 B10R0.57 COC(=O)C(N)COC(C)=O Amb33803614 [0,1,0,0,0,0|2,0,0]=3 688 B10R0.57 COC(=O)C(O)CNC(C)=O Amb27672462 [0,1,0,0,0,0|3,0,0]=4 689 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O Amb8390399 [0,1,0,0,0,0|1,0,0]=2 690 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O Amb8629195 [0,1,0,0,0,0|0,0,0]=1 691 B10R0.57 COC(=O)[C@@H](N)CCS(C)=O Amb33802381 [0,1,0,0,0,0|2,0,0]=3 692 B10R0.57 COC(=O)[C@@H](N)CNC(C)=O Amb27990246 [0,1,0,0,0,0|2,0,0]=3 693 B10R0.57 COC(=O)[C@@H](N)CNC(N)=O Amb27989967 [0,1,0,0,0,0|1,0,0]=2 694 B10R0.57 COC(=O)[C@H](Cl)CNC(C)=O Amb27989995 [0,1,0,0,0,0|3,0,0]=4 695 B10R0.57 COC(=O)[C@H](N)CCC(=O)O Amb33801734 [0,1,0,0,0,0|1,0,0]=2 696 B10R0.57 COC(=O)[C@H](N)CCC(=O)O Amb33866552 [0,1,0,0,0,0|1,0,0]=2 697 B10R0.57 COC(=O)[C@H](N)CCC(=O)[O-] Amb34915024 [0,1,0,0,0,0|1,0,0]=2 698 B10R0.57 COC(=O)[C@H](N)CCC(C)C Amb31295689 [0,1,0,0,0,0|2,0,1]=4 699 B10R0.57 COC(=O)[C@H](N)CCC(N)=O Amb8629196 [0,1,0,0,0,0|0,0,0]=1 700 B10R0.57 NC(CCC(=O)O)C(=O)NO Amb27987067 [0,1,0,0,0,0|1,0,0]=2 701 B10R0.57 NNC(=O)C(N)CCC(=O)O Amb27987068 [0,1,0,0,0,0|2,0,0]=3 702 B10R0.57 NNC(=O)C(N)CCC(N)=O Amb27988668 [0,1,0,0,0,0|1,0,0]=2 703 B10R0.82 C#CC(=O)NCC(N)C(=O)O Amb27792858 [0,1,0,0,0,0|2,0,0]=3 704 B10R0.82 C#CC(=O)NC[C@H](N)C(=O)O Amb25210877 [0,1,0,0,0,0|2,0,0]=3 705 B10R0.82 C#CC(=O)NC[C@H](O)C(=O)O Amb27751159 [0,1,0,0,0,0|3,0,0]=4 706 B10R0.82 C#CC(N)CCC(N)C(=O)O Amb24762938 [0,1,0,0,0,0|1,0,1]=3 707 B10R0.82 C=C(C)C(N)CCC(=O)OC Amb33199520 [0,1,0,0,0,0|3,0,0]=4 708 B10R0.82 C=C(CCC(=O)OC)C(=O)O Amb30584741 [0,1,0,0,0,0|2,0,1]=4 709 B10R0.82 C=CC(=O)NC[C@H](N)C(=O)O Amb27674138 [0,1,0,0,0,0|2,0,0]=3 710 B10R0.82 CCC(=O)NC[C@H](O)C(=O)O Amb27670709 [0,1,0,0,0,0|3,0,0]=4 711 B10R0.82 CCN(C)CC[C@@H](N)C(=O)O Amb32698166 [0,1,0,0,0,0|3,0,0]=4 712 B10R0.82 CNC(=O)CCC(N)C(=O)O Amb18645293 [0,1,0,0,0,0|0,0,0]=1 713 B10R0.82 CNC(=O)CCN(C)C(N)=O Amb27989844 [0,1,0,0,0,0|3,0,0]=4 714 B10R0.82 CNC(=O)CO[C@@H](C)C(=O)O Amb27986317 [0,1,0,0,0,0|2,0,0]=3 715 B10R0.82 CNC(=O)CSC(C)C(=O)O Amb6257259 [0,1,0,0,0,0|2,0,0]=3 716 B10R0.82 CNC(=O)NCC(C)C(=O)O Amb18300018 [0,1,0,0,0,0|2,0,0]=3 717 B10R0.82 CNC(=O)NCC(N)C(C)O Amb28248897 [0,1,0,0,0,0|2,0,1]=4 718 B10R0.82 CNC(=O)SC[C@H](N)C(=O)O Amb17617278 [0,1,0,0,0,0|1,0,0]=2 719 B10R0.82 COC(=O)CCC(Br)C(=O)O Amb18134592 [0,1,0,0,0,0|2,0,0]=3 720 B10R0.82 COC(=O)CCC(Cl)C(=O)O Amb32941125 [0,1,0,0,0,0|2,0,0]=3 721 B10R0.82 COC(=O)CCC(N)C(=O)O Amb9825413 [0,1,0,0,0,0|1,0,0]=2 722 B10R0.82 COC(=O)CCC(N)C(N)=O Amb31291204 [0,1,0,0,0,0|2,0,0]=3 723 B10R0.82 COC(=O)CCC(O)C(=O)O Amb32941120 [0,1,0,0,0,0|2,0,0]=3 724 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Amb16183875 [0,1,0,0,0,0|1,0,0]=2 725 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Amb22746068 [0,1,0,0,0,0|1,0,0]=2 726 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Amb2720571 [0,1,0,0,0,0|1,0,0]=2 727 B10R0.82 COC(=O)CC[C@H](N)C(=O)[O-] Amb34916015 [0,1,0,0,0,0|1,0,1]=3 728 B10R0.82 COC(=O)CC[C@H](N)C(N)=O Amb22432474 [0,1,0,0,0,0|2,0,0]=3 729 B10R0.82 COC(=O)CC[C@H](N)C(N)=O Amb34916457 [0,1,0,0,0,0|2,0,0]=3 730 B10R0.82 COC(=O)NC[C@H](O)C(=O)O Amb27670721 [0,1,0,0,0,0|3,0,0]=4 731 B10R0.82 NC(CCC(=O)NO)C(=O)O Amb22350145 [0,1,0,0,0,0|0,0,0]=1 732 B10R0.82 NC(CC[PH](=O)CO)C(=O)[O-] Amb22167951 [0,1,0,0,0,0|2,0,1]=4 733 B10R0.82 NC(CF)CCC(N)C(=O)O Amb31030977 [0,1,0,0,0,0|1,0,1]=3 734 B10R0.82 NC(CF)CCC(N)C(=O)O Amb33204489 [0,1,0,0,0,0|1,0,1]=3 735 B10R0.82 NC(CNC(=O)C=O)C(=O)O Amb26082139 [0,1,0,0,0,0|2,0,0]=3 736 B10R0.82 NC(CNC(=O)CCl)C(=O)O Amb27990068 [0,1,0,0,0,0|2,0,0]=3 737 B10R0.82 NC(CS\C(Cl)=C\Cl)C(=O)O Amb27818529 [0,1,0,0,0,0|3,0,0]=4 738 B10R0.82 NCC(F)CCC(N)C(=O)O Amb10839781 [0,1,0,0,0,0|1,0,1]=3 739 B10R0.82 NCC(O)CCC(N)C(=O)O Amb2720125 [0,1,0,0,0,0|0,0,2]=3 740 B10R0.82 NCC(O)CCC(N)C(=O)O Amb9809250 [0,1,0,0,0,0|0,0,2]=3 741 B10R0.82 NCC(O)CC[C@H](N)C(=O)O Amb34175411 [0,1,0,0,0,0|0,0,2]=3 742 B10R0.82 NC[C@@H](O)CC[C@H](N)C(=O)O Amb24117040 [0,1,0,0,0,0|0,0,2]=3 743 B10R0.82 NC[C@H](O)CC[C@@H](N)C(=O)O Amb33802991 [0,1,0,0,0,0|0,0,2]=3 744 B10R0.82 NC[C@H](O)CC[C@@H](N)C(=O)O Amb33804786 [0,1,0,0,0,0|0,0,2]=3 745 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O Amb22747912 [0,1,0,0,0,0|0,0,2]=3 746 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O Amb24121192 [0,1,0,0,0,0|0,0,2]=3 747 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O Amb35788437 [0,1,0,0,0,0|0,0,2]=3 748 B10R0.82 NNC(=O)CCC(N)C(=O)O Amb6366546 [0,1,0,0,0,0|0,0,0]=1 749 B10R0.82 NNC(=O)CC[C@H](N)C(=O)O Amb25379957 [0,1,0,0,0,0|0,0,0]=1 750 B10R0.82 N[C@@H](CCC(=O)NO)C(=O)O Amb27269199 [0,1,0,0,0,0|0,0,0]=1 751 B10R0.82 N[C@@H](CS\C(Cl)=C\Cl)C(=O)O Amb27671445 [0,1,0,0,0,0|3,0,0]=4 752 B10R0.82 N[C@@H](C\C=C(/Cl)CO)C(=O)O Amb27988484 [0,1,0,0,0,0|1,0,2]=4 753 B10R0.82 N\C(=N/O)NCC(N)C(=O)O Amb28182515 [0,1,0,0,0,0|1,0,1]=3 754 B10R0.82 O=C(CCl)NCC(O)C(=O)O Amb27990120 [0,1,0,0,0,0|3,0,0]=4 755 B10R0.84 CC(=O)CCC(=[N+]=[N-])C(=O)O Amb26083624 [0,1,0,0,0,0|1,0,2]=4 756 B10R0.84 CCC(SCC(=O)O)C(=O)O Amb17501325 [0,1,0,0,0,0|3,0,0]=4 757 B10R0.84 CCC(SCC(N)=O)C(=O)O Amb17501319 [0,1,0,0,0,0|2,0,0]=3 758 B10R0.84 CN(C)CCC(CN)C(=O)O Amb33272650 [0,1,0,0,0,0|3,0,0]=4 759 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O Amb13884885 [0,1,0,0,0,0|1,0,0]=2 760 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O Amb24117978 [0,1,0,0,0,0|1,0,0]=2 761 B10R0.84 COC(CNC(C)=O)C(=O)O Amb27269110 [0,1,0,0,0,0|3,0,0]=4 762 B10R0.84 COC(CNC(N)=O)C(=O)O Amb27269111 [0,1,0,0,0,0|2,0,0]=3 763 B10R0.84 N#CC(CCC(=O)O)C(=O)O Amb27990272 [0,1,0,0,0,0|1,0,1]=3 764 B10R0.92 CC(=O)C(N)CCS(C)(=O)=O Amb5716772 [0,1,0,0,0,0|3,0,0]=4 765 B10R0.92 CC(C)(C)CCC(N)C(=O)O Amb18307415 [0,1,0,0,0,0|2,0,1]=4 766 B10R0.92 CC(C)(C)CCC(N)C(=O)O Amb32882445 [0,1,0,0,0,0|2,0,1]=4 767 B10R0.92 CC(C)(C)CC[C@@H](N)C(=O)O Amb25383852 [0,1,0,0,0,0|2,0,1]=4 768 B10R0.92 CC(C)(C)CC[C@H](N)C(=O)O Amb28386947 [0,1,0,0,0,0|2,0,1]=4 769 B10R0.92 CC(C)(N)CCC(F)C(=O)O Amb27671747 [0,1,0,0,0,0|2,0,1]=4 770 B10R0.92 CC(C)(O)CCC(N)C(=O)O Amb26659578 [0,1,0,0,0,0|1,0,2]=4 771 B10R0.92 CC(C)(O)CC[C@@H](N)C(=O)O Amb33036146 [0,1,0,0,0,0|1,0,2]=4 772 B10R0.92 CC(C)(O)CC[C@H](N)C(=O)O Amb26659762 [0,1,0,0,0,0|1,0,2]=4 773 B10R0.92 CC(CCC(C)(C)N)C(=O)O Amb27671746 [0,1,0,0,0,0|2,0,1]=4 774 B10R0.92 CC(CCS(C)(=O)=O)C(=O)O Amb18305099 [0,1,0,0,0,0|3,0,0]=4 775 B10R0.92 CC(CNS(N)(=O)=O)C(=O)O Amb27987779 [0,1,0,0,0,0|3,0,0]=4 776 B10R0.92 CC(F)(F)CCC(N)C(=O)O Amb27990024 [0,1,0,0,0,0|2,0,1]=4 777 B10R0.92 CC(F)(F)CC[C@@H](N)C(=O)O Amb25383712 [0,1,0,0,0,0|2,0,1]=4 778 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Amb4424634 [0,1,0,0,0,0|2,0,0]=3 779 B10R0.92 CP(=O)(O)CCC(O)C(=O)O Amb27000184 [0,1,0,0,0,0|3,0,0]=4 780 B10R0.92 CP(=O)(O)CC[C@H](N)C(=O)O Amb27001058 [0,1,0,0,0,0|2,0,0]=3 781 B10R0.92 CP(=O)(O)CC[C@H](N)C(N)=O Amb27671698 [0,1,0,0,0,0|3,0,0]=4 782 B10R0.92 CP(C)(=O)CC[C@H](N)C(=O)O Amb27671929 [0,1,0,0,0,0|2,0,0]=3 783 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O Amb2747058 [0,1,0,0,0,0|1,0,1]=3 784 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O Amb8514715 [0,1,0,0,0,0|1,0,1]=3 785 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Amb1905637 [0,1,0,0,0,0|2,0,0]=3 786 B10R0.92 CS(=O)(=O)CCC(N)C(N)=O Amb6261914 [0,1,0,0,0,0|3,0,0]=4 787 B10R0.92 CS(=O)(=O)CCC(N)C(N)=O Amb9178007 [0,1,0,0,0,0|3,0,0]=4 788 B10R0.92 CS(=O)(=O)CCC(O)C(=O)O Amb18129022 [0,1,0,0,0,0|3,0,0]=4 789 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O Amb22745329 [0,1,0,0,0,0|2,0,0]=3 790 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O Amb9809971 [0,1,0,0,0,0|2,0,0]=3 791 B10R0.92 CS(C)(Cl)CCC(N)C(=O)O Amb25384324 [0,1,0,0,0,0|3,0,0]=4 792 B10R0.92 C[S@@](=N)(=O)CC[C@H](N)C(=O)O Amb17616898 [0,1,0,0,0,0|1,0,1]=3 793 B10R0.92 C[S@](=N)(=O)CC[C@H](N)C(=O)O Amb17616899 [0,1,0,0,0,0|1,0,1]=3 794 B10R0.92 C[SH](=N)(O)CCC(N)C(=O)O Amb27673254 [0,1,0,0,0,0|1,0,2]=4 795 B10R0.92 NC(CCC(F)(F)Cl)C(=O)O Amb33308947 [0,1,0,0,0,0|2,0,1]=4 796 B10R0.92 NC(CCC(F)(F)F)C(=O)O Amb2732192 [0,1,0,0,0,0|2,0,1]=4 797 B10R0.92 NC(CCC(F)(F)F)C(=O)O Amb28652882 [0,1,0,0,0,0|2,0,1]=4 798 B10R0.92 NC(CCP(=O)(O)O)C(=O)O Amb542828 [0,1,0,0,0,0|2,0,0]=3 799 B10R0.92 NC(CCS(=O)(=O)Cl)C(=O)O Amb28079864 [0,1,0,0,0,0|2,0,0]=3 800 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O Amb3940449 [0,1,0,0,0,0|2,0,0]=3 801 B10R0.92 NC(CCS(=O)(=O)S)C(=O)O Amb27990225 [0,1,0,0,0,0|2,0,0]=3 802 B10R0.92 NC(CCS(N)(=O)=O)C(=O)O Amb27271128 [0,1,0,0,0,0|1,0,0]=2 803 B10R0.92 NC(COP(=O)(O)O)C(=O)O Amb6334849 [0,1,0,0,0,0|3,0,0]=4 804 B10R0.92 NC(CSS(=O)(=O)O)C(=O)O Amb25384388 [0,1,0,0,0,0|3,0,0]=4 805 B10R0.92 NS(=O)(=O)NCC(O)C(=O)O Amb27987782 [0,1,0,0,0,0|3,0,0]=4 806 B10R0.92 NS(=O)(=O)NC[C@H](O)C(=O)O Amb27670717 [0,1,0,0,0,0|3,0,0]=4 807 B10R0.92 N[C@@H](CCC(F)(F)Cl)C(=O)O Amb33036981 [0,1,0,0,0,0|2,0,1]=4 808 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O Amb19889289 [0,1,0,0,0,0|2,0,1]=4 809 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O Amb33331073 [0,1,0,0,0,0|2,0,1]=4 810 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O Amb30666599 [0,1,0,0,0,0|2,0,0]=3 811 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O Amb544255 [0,1,0,0,0,0|2,0,0]=3 812 B10R0.92 N[C@@H](CCP(O)(O)=S)C(=O)O Amb19929411 [0,1,0,0,0,0|2,0,1]=4 813 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O Amb6600024 [0,1,0,0,0,0|3,0,0]=4 814 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O Amb22800081 [0,1,0,0,0,0|3,0,0]=4 815 B10R0.92 N[C@@H](CSP(=O)(O)O)C(=O)O Amb25385816 [0,1,0,0,0,0|3,0,0]=4 816 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)O Amb22348198 [0,1,0,0,0,0|3,0,0]=4 817 B10R0.92 N[C@H](CCC(F)(F)Cl)C(=O)O Amb33065677 [0,1,0,0,0,0|2,0,1]=4 818 B10R0.92 N[C@H](CCC(F)(F)F)C(=O)O Amb19889288 [0,1,0,0,0,0|2,0,1]=4 819 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O Amb2719726 [0,1,0,0,0,0|2,0,0]=3 820 B10R0.92 N[C@H](CCS(=O)(=O)O)C(=O)O Amb27672864 [0,1,0,0,0,0|2,0,0]=3 821 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O Amb22231363 [0,1,0,0,0,0|3,0,0]=4 822 B10R0.92 N[C@H](COS(=O)(=O)O)C(=O)O Amb26660628 [0,1,0,0,0,0|3,0,0]=4 823 B10R0.93 C=C(CC(C)C(=O)O)C(=O)O Amb10844068 [0,1,0,0,0,0|2,0,1]=4 824 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Amb18126175 [0,1,0,0,0,0|1,0,1]=3 825 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Amb33734644 [0,1,0,0,0,0|1,0,1]=3 826 B10R0.93 C=C(C[C@@H](N)C(=O)O)C(=O)O Amb27990014 [0,1,0,0,0,0|1,0,1]=3 827 B10R0.93 CC(=O)C(C)CC(C)C(=O)O Amb4014440 [0,1,0,0,0,0|2,0,0]=3 828 B10R0.93 CC(=O)C(C)CC(C)C(C)=O Amb27672288 [0,1,0,0,0,0|3,0,0]=4 829 B10R0.93 CC(=O)C(C)SC(C)C(=O)O Amb28352063 [0,1,0,0,0,0|3,0,0]=4 830 B10R0.93 CC(=O)C(C)SC(C)C(N)=O Amb28352062 [0,1,0,0,0,0|3,0,0]=4 831 B10R0.93 CC(=O)[C@@H](C)C[C@H](C)C(=O)O Amb27989934 [0,1,0,0,0,0|2,0,0]=3 832 B10R0.93 CC(C)C(C)CC(N)C(=O)O Amb28387309 [0,1,0,0,0,0|2,0,1]=4 833 B10R0.93 CC(C)C(C)C[C@@H](N)C(=O)O Amb28387332 [0,1,0,0,0,0|2,0,1]=4 834 B10R0.93 CC(C)C(C)C[C@H](N)C(=O)O Amb28387331 [0,1,0,0,0,0|2,0,1]=4 835 B10R0.93 CC(C)C(O)CC(N)C(=O)O Amb26081646 [0,1,0,0,0,0|2,0,1]=4 836 B10R0.93 CC(C)C(O)C[C@@H](N)C(=O)O Amb33065734 [0,1,0,0,0,0|2,0,1]=4 837 B10R0.93 CC(C)C(O)C[C@H](N)C(=O)O Amb33066238 [0,1,0,0,0,0|2,0,1]=4 838 B10R0.93 CC(C)[C@@H](C)C[C@H](N)C(=O)O Amb25384069 [0,1,0,0,0,0|2,0,1]=4 839 B10R0.93 CC(C)[C@@H](F)C[C@@H](N)C(=O)O Amb26660930 [0,1,0,0,0,0|2,0,1]=4 840 B10R0.93 CC(CC(=O)C(=O)O)C(=O)O Amb26660388 [0,1,0,0,0,0|2,0,1]=4 841 B10R0.93 CC(CC(C)C(=O)O)C(=O)O Amb4014252 [0,1,0,0,0,0|2,0,0]=3 842 B10R0.93 CC(CC(N)C(=O)O)C(=O)O Amb23440871 [0,1,0,0,0,0|1,0,0]=2 843 B10R0.93 CC(C[C@@H](N)C(=O)O)C(=O)O Amb26999819 [0,1,0,0,0,0|1,0,0]=2 844 B10R0.93 CC(C[C@H](N)C(=O)O)C(=O)O Amb27000115 [0,1,0,0,0,0|1,0,0]=2 845 B10R0.93 CC(C[C@H](N)C(=O)O)C(O)O Amb25384090 [0,1,0,0,0,0|1,0,2]=4 846 B10R0.93 CC(NC(C)C(=O)O)C(=O)O Amb18126275 [0,1,0,0,0,0|3,0,0]=4 847 B10R0.93 CC(NC(C)C(N)=O)C(N)=O Amb9257683 [0,1,0,0,0,0|3,0,0]=4 848 B10R0.93 CC(N[C@@H](C)C(=O)O)C(=O)O Amb26659333 [0,1,0,0,0,0|3,0,0]=4 849 B10R0.93 CC(N[C@@H](C)C(N)=O)C(N)=O Amb28351983 [0,1,0,0,0,0|3,0,0]=4 850 B10R0.93 CC(N[C@H](C)C(=O)O)C(=O)O Amb27266632 [0,1,0,0,0,0|3,0,0]=4 851 B10R0.93 CC(O[C@@H](C)C(=O)O)C(N)=O Amb27986323 [0,1,0,0,0,0|2,0,0]=3 852 B10R0.93 CC(SC(C)C(=O)O)C(=O)O Amb17501619 [0,1,0,0,0,0|3,0,0]=4 853 B10R0.93 CC(SC(C)C(=O)O)C(N)=O Amb9202524 [0,1,0,0,0,0|2,0,0]=3 854 B10R0.93 CC(SC(C)C(N)=O)C(N)=O Amb24766254 [0,1,0,0,0,0|3,0,0]=4 855 B10R0.93 C[C@@H](C[C@@H](C)C(=O)O)C(=O)O Amb27272288 [0,1,0,0,0,0|2,0,0]=3 856 B10R0.93 C[C@@H](C[C@@H](N)C(=O)O)C(=O)O Amb19133151 [0,1,0,0,0,0|1,0,0]=2 857 B10R0.93 C[C@@H](C[C@H](N)C(=O)O)C(N)=O Amb27990165 [0,1,0,0,0,0|0,0,0]=1 858 B10R0.93 C[C@@H](N[C@H](C)C(=O)O)C(=O)O Amb25384906 [0,1,0,0,0,0|3,0,0]=4 859 B10R0.93 C[C@@H](O[C@H](C)C(=O)O)C(=O)O Amb25386293 [0,1,0,0,0,0|3,0,0]=4 860 B10R0.93 C[C@@H](S[C@H](C)C(=O)O)C(=O)O Amb27990009 [0,1,0,0,0,0|3,0,0]=4 861 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O Amb10807462 [0,1,0,0,0,0|1,0,0]=2 862 B10R0.93 C[C@H](N[C@@H](C)C(=O)O)C(=O)O Amb27001396 [0,1,0,0,0,0|3,0,0]=4 863 B10R0.93 NC(=O)C(F)CC(N)C(=O)O Amb25386442 [0,1,0,0,0,0|0,0,0]=1 864 B10R0.93 NC(=O)C(F)C[C@H](N)C(=O)O Amb25383170 [0,1,0,0,0,0|0,0,0]=1 865 B10R0.93 NC(=O)C(O)C[C@H](N)C(=O)O Amb27990187 [0,1,0,0,0,0|0,0,0]=1 866 B10R0.93 NC(=O)[C@@H](F)C[C@@H](N)C(=O)O Amb10839752 [0,1,0,0,0,0|0,0,0]=1 867 B10R0.93 NC(=O)[C@@H](F)C[C@H](N)C(=O)O Amb10839753 [0,1,0,0,0,0|0,0,0]=1 868 B10R0.93 NC(=O)[C@@H](N)C[C@H](F)C(=O)O Amb10838207 [0,1,0,0,0,0|1,0,0]=2 869 B10R0.93 NC(=O)[C@H](F)C[C@@H](N)C(=O)O Amb25384972 [0,1,0,0,0,0|0,0,0]=1 870 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O Amb26083606 [0,1,0,0,0,0|0,0,0]=1 871 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O Amb33804028 [0,1,0,0,0,0|0,0,0]=1 872 B10R0.93 NC(CC(=O)C(=O)O)C(=O)O Amb27671651 [0,1,0,0,0,0|1,0,1]=3 873 B10R0.93 NC(CC(F)=C(F)F)C(=O)O Amb27823130 [0,1,0,0,0,0|2,0,1]=4 874 B10R0.93 NC(CC(F)C(=O)O)C(=O)O Amb2688100 [0,1,0,0,0,0|1,0,0]=2 875 B10R0.93 NC(CC(N)C(=O)O)C(=O)O Amb24117887 [0,1,0,0,0,0|1,0,0]=2 876 B10R0.93 NC(CC(N)C(=O)O)C(=O)O Amb3994432 [0,1,0,0,0,0|1,0,0]=2 877 B10R0.93 N[C@@H](CC(F)C(=O)O)C(=O)O Amb22800491 [0,1,0,0,0,0|1,0,0]=2 878 B10R0.93 N[C@@H](CC(O)C(=O)O)C(=O)O Amb27492043 [0,1,0,0,0,0|1,0,0]=2 879 B10R0.93 N[C@@H](C[C@@H](F)C(=O)O)C(=O)O Amb24055860 [0,1,0,0,0,0|1,0,0]=2 880 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O Amb22746048 [0,1,0,0,0,0|1,0,0]=2 881 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O Amb6600059 [0,1,0,0,0,0|1,0,0]=2 882 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O Amb22388564 [0,1,0,0,0,0|1,0,0]=2 883 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O Amb22745417 [0,1,0,0,0,0|1,0,0]=2 884 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O Amb22800665 [0,1,0,0,0,0|1,0,0]=2 885 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O Amb24117514 [0,1,0,0,0,0|1,0,0]=2 886 B10R0.93 N[C@H](C[C@@H](F)C(=O)O)C(=O)O Amb26083605 [0,1,0,0,0,0|1,0,0]=2 887 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O Amb22388558 [0,1,0,0,0,0|1,0,0]=2 888 B10R0.93 N[C@H](C[C@H](F)C(=O)O)C(=O)O Amb10839750 [0,1,0,0,0,0|1,0,0]=2 889 B10R0.93 O=C(O)C(=O)CC(O)C(=O)O Amb17615458 [0,1,0,0,0,0|2,0,1]=4 890 B10R0.93 O=C(O)C(Br)CC(Br)C(=O)O Amb17621581 [0,1,0,0,0,0|2,0,0]=3 891 B10R0.93 O=C(O)C(O)SC(O)C(=O)O Amb17772308 [0,1,0,0,0,0|3,0,0]=4 892 B10R0.93 O=C(O)[C@@H](S)C[C@@H](S)C(=O)O Amb27990019 [0,1,0,0,0,0|2,0,0]=3 893 B10R0.93 [NH3+]C(CC(O)C(=O)O)C(=O)[O-] Amb25385683 [0,1,0,0,0,0|2,0,0]=3 894 B10R1.13 C=C1CCC(C(=O)O)CC1 Amb15695314 [0,0,0,1,0,0|3,0,0]=4 895 B10R1.13 CC(=O)C1=CNC(=O)CC1 Amb2386720 [0,0,0,1,0,0|2,0,1]=4 896 B10R1.13 CC(=O)C1CCC(=O)CC1 Amb27597007 [0,0,0,1,0,0|3,0,0]=4 897 B10R1.13 CC1=CCC(C(=O)O)CC1 Amb18124574 [0,0,0,1,0,0|3,0,0]=4 898 B10R1.13 CC1=CCC(C(=O)O)CN1 Amb2613014 [0,0,0,1,0,0|2,0,1]=4 899 B10R1.13 CC1CCC(C(=O)O)CN1 Amb18643999 [0,0,0,1,0,0|2,0,1]=4 900 B10R1.13 CC1CCC(C(=O)O)CN1 Amb33329255 [0,0,0,1,0,0|2,0,1]=4 901 B10R1.13 CC1CCC(C(=O)O)NC1 Amb25324436 [0,0,0,1,0,0|2,0,1]=4 902 B10R1.13 CC1CCC(C(=O)O)NC1 Amb33482831 [0,0,0,1,0,0|2,0,1]=4 903 B10R1.13 C[C@@H]1CC[C@@H](C(=O)O)CN1 Amb26919968 [0,0,0,1,0,0|2,0,1]=4 904 B10R1.13 C[C@@H]1CC[C@@H](C(=O)O)NC1 Amb33017682 [0,0,0,1,0,0|2,0,1]=4 905 B10R1.13 C[C@@H]1CC[C@@H](C(=O)O)NC1 Amb33299403 [0,0,0,1,0,0|2,0,1]=4 906 B10R1.13 C[C@@H]1CC[C@H](C(=O)O)CN1 Amb24620510 [0,0,0,1,0,0|2,0,1]=4 907 B10R1.13 C[C@@H]1CC[C@H](C(=O)O)CN1 Amb35788844 [0,0,0,1,0,0|2,0,1]=4 908 B10R1.13 C[C@@H]1CC[C@H](C(=O)O)NC1 Amb33804580 [0,0,0,1,0,0|2,0,1]=4 909 B10R1.13 C[C@H]1CC[C@@H](C(=O)O)CN1 Amb24580654 [0,0,0,1,0,0|2,0,1]=4 910 B10R1.13 C[C@H]1CC[C@@H](C(=O)O)ON1 Amb27881757 [0,0,0,1,0,0|2,0,1]=4 911 B10R1.13 NC(=O)C1=NNC(=O)CC1 Amb8997742 [0,0,0,1,0,0|1,0,2]=4 912 B10R1.13 NC(=O)C1C=CC(=O)CC1 Amb25946225 [0,0,0,1,0,0|3,0,0]=4 913 B10R1.13 NC(=O)C1CCC(=O)CC1 Amb21964140 [0,0,0,1,0,0|3,0,0]=4 914 B10R1.13 NC(=O)C1CCC(=O)NC1 Amb20668378 [0,0,0,1,0,0|2,0,0]=3 915 B10R1.13 NC(=O)C1CNC(=O)CN1 Amb26400442 [0,0,0,1,0,0|3,0,0]=4 916 B10R1.13 NC(=O)C1CNC(=O)CN1 Amb33482851 [0,0,0,1,0,0|3,0,0]=4 917 B10R1.13 NC1=NCC(C(=O)O)CC1 Amb27760065 [0,0,0,1,0,0|2,0,0]=3 918 B10R1.13 NC1=NCC(C(=O)O)CC1 Amb28555528 [0,0,0,1,0,0|2,0,0]=3 919 B10R1.13 NC1=NCC(C(=O)O)CN1 Amb24063113 [0,0,0,1,0,0|3,0,0]=4 920 B10R1.13 NC1=NCC(C(=O)O)CN1 Amb28555529 [0,0,0,1,0,0|3,0,0]=4 921 B10R1.13 NC1CCC(C(=O)O)CC1 Amb2699182 [0,0,0,1,0,0|2,0,1]=4 922 B10R1.13 NC1CCC(C(=O)O)CC1 Amb6739811 [0,0,0,1,0,0|2,0,1]=4 923 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 Amb10070763 [0,0,0,1,0,0|2,0,1]=4 924 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 Amb33524039 [0,0,0,1,0,0|2,0,1]=4 925 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 Amb33524062 [0,0,0,1,0,0|2,0,1]=4 926 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 Amb8631309 [0,0,0,1,0,0|2,0,1]=4 927 B10R1.13 O=C(O)C1CC=C(Br)CC1 Amb26015030 [0,0,0,1,0,0|3,0,0]=4 928 B10R1.13 O=C(O)C1CC=C(F)CC1 Amb27628828 [0,0,0,1,0,0|3,0,0]=4 929 B10R1.13 O=C(O)C1CCC(O)CN1 Amb22034512 [0,0,0,1,0,0|1,0,2]=4 930 B10R1.13 O=C(O)C1CCC(O)CN1 Amb5719819 [0,0,0,1,0,0|1,0,2]=4 931 B10R1.13 O=C(O)C1CCS(=O)CC1 Amb25295426 [0,0,0,1,0,0|3,0,0]=4 932 B10R1.13 O=C(O)[C@@H]1CC[C@@H](F)CN1 Amb24763804 [0,0,0,1,0,0|2,0,1]=4 933 B10R1.13 O=C(O)[C@@H]1CC[C@@H](F)CN1 Amb35752872 [0,0,0,1,0,0|2,0,1]=4 934 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 Amb24120629 [0,0,0,1,0,0|1,0,2]=4 935 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 Amb2697173 [0,0,0,1,0,0|1,0,2]=4 936 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 Amb28132662 [0,0,0,1,0,0|1,0,2]=4 937 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 Amb33726118 [0,0,0,1,0,0|1,0,2]=4 938 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 Amb23440007 [0,0,0,1,0,0|1,0,2]=4 939 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 Amb23440183 [0,0,0,1,0,0|1,0,2]=4 940 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CN1 Amb26401050 [0,0,0,1,0,0|1,0,2]=4 941 B10R1.13 O=C1CCC(C(=O)Cl)=NN1 Amb17142897 [0,0,0,1,0,0|1,0,2]=4 942 B10R1.13 O=C1CCC(C(=O)Cl)CC1 Amb10071440 [0,0,0,1,0,0|3,0,0]=4 943 B10R1.13 O=C1CCC(C(=O)O)=NN1 Amb6336556 [0,0,0,1,0,0|0,0,2]=3 944 B10R1.13 O=C1CCC(C(=O)O)CC1 Amb5719059 [0,0,0,1,0,0|2,0,0]=3 945 B10R1.13 O=C1CCC(C(=O)O)CN1 Amb8503400 [0,0,0,1,0,0|1,0,0]=2 946 B10R1.13 O=C1CCC(C(=O)O)CN1 Amb9721708 [0,0,0,1,0,0|1,0,0]=2 947 B10R1.13 O=C1CCC(C(=O)O)NC1 Amb21960863 [0,0,0,1,0,0|1,0,0]=2 948 B10R1.13 O=C1CCC(C(=O)O)NC1 Amb5719827 [0,0,0,1,0,0|1,0,0]=2 949 B10R1.13 O=C1CCC(C(=O)O)NN1 Amb23441127 [0,0,0,1,0,0|0,0,0]=1 950 B10R1.13 O=C1CCC(C(=O)O)SC1 Amb23596925 [0,0,0,1,0,0|2,0,0]=3 951 B10R1.13 O=C1CC[C@@H](C(=O)O)CN1 Amb26878933 [0,0,0,1,0,0|1,0,0]=2 952 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 Amb24655763 [0,0,0,1,0,0|1,0,0]=2 953 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 Amb31291189 [0,0,0,1,0,0|1,0,0]=2 954 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 Amb26515676 [0,0,0,1,0,0|1,0,0]=2 955 B10R1.13 O=C1CC[C@H](C(=O)O)NC1 Amb27648107 [0,0,0,1,0,0|1,0,0]=2 956 B10R1.13 O=C1CC[C@H](C(=O)O)NC1 Amb31291190 [0,0,0,1,0,0|1,0,0]=2 957 B10R1.13 O=C1CNC(C(=O)O)CN1 Amb22235954 [0,0,0,1,0,0|2,0,0]=3 958 B10R1.13 O=C1CNC(C(=O)O)CN1 Amb22641428 [0,0,0,1,0,0|2,0,0]=3 959 B10R1.13 O=C1CN[C@@H](C(=O)O)CN1 Amb24423079 [0,0,0,1,0,0|2,0,0]=3 960 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 Amb22756547 [0,0,0,1,0,0|2,0,0]=3 961 B10R1.13 O=C1COC(C(=O)O)CN1 Amb27872662 [0,0,0,1,0,0|2,0,0]=3 962 B10R1.13 O=C1NC=C(C(=O)O)CN1 Amb27217299 [0,0,0,1,0,0|2,0,1]=4 963 B10R1.13 O=C1NCC(C(=O)O)CN1 Amb27469166 [0,0,0,1,0,0|2,0,0]=3 964 B10R1.58 C=C1CC(C(=O)O)CC1N Amb25996162 [0,0,0,1,0,0|3,0,0]=4 965 B10R1.58 C=C1CC(C(=O)O)OC1=O Amb27838007 [0,0,0,1,0,0|2,0,1]=4 966 B10R1.58 C=C1C[C@@H](C(=O)O)OC1=O Amb27253954 [0,0,0,1,0,0|2,0,1]=4 967 B10R1.58 C=C1C[C@H](C(=O)O)C[C@@H]1N Amb25229776 [0,0,0,1,0,0|3,0,0]=4 968 B10R1.58 C=C1C[C@H](C(=O)O)OC1=O Amb28340915 [0,0,0,1,0,0|2,0,1]=4 969 B10R1.58 CC(=O)C1CC(=O)C(C)C1 Amb26936800 [0,0,0,1,0,0|3,0,0]=4 970 B10R1.58 CC(O)[C@H]1C[C@H](N)C(=O)O1 Amb27782386 [0,0,0,1,0,0|1,0,2]=4 971 B10R1.58 CC1CC(C(=O)O)CC1=O Amb27413499 [0,0,0,1,0,0|3,0,0]=4 972 B10R1.58 CC1CC(C(=O)O)OC1=O Amb27836333 [0,0,0,1,0,0|2,0,0]=3 973 B10R1.58 CC1C[C@@H](C(=O)O)OC1=O Amb27615055 [0,0,0,1,0,0|2,0,0]=3 974 B10R1.58 CC1OC(C(=O)O)OC1=O Amb27250530 [0,0,0,1,0,0|3,0,0]=4 975 B10R1.58 CN1CC(C(=O)O)OC1=O Amb27864010 [0,0,0,1,0,0|3,0,0]=4 976 B10R1.58 CN1CC(C(N)=O)CC1=O Amb2236385 [0,0,0,1,0,0|3,0,0]=4 977 B10R1.58 CN1C[C@@H](C(=O)O)OC1=O Amb25696396 [0,0,0,1,0,0|3,0,0]=4 978 B10R1.58 C[C@H]1C[C@@H](C(=O)Cl)OC1=O Amb27255383 [0,0,0,1,0,0|2,0,0]=3 979 B10R1.58 NC(=O)C1CC(F)C(=O)N1 Amb27593081 [0,0,0,1,0,0|2,0,0]=3 980 B10R1.58 NC(=O)C1CC(N)C(N)C1 Amb27837970 [0,0,0,1,0,0|2,0,1]=4 981 B10R1.58 NC1CC(C(=O)O)OC1=O Amb25147458 [0,0,0,1,0,0|1,0,0]=2 982 B10R1.58 NN1CC(C(=O)O)CC1=O Amb27453836 [0,0,0,1,0,0|3,0,0]=4 983 B10R1.58 N[C@@H]1C[C@H](C(=O)O)C[C@H]1O Amb27630763 [0,0,0,1,0,0|2,0,1]=4 984 B10R1.58 N[C@@H]1C[C@H](C(=O)O)C[C@H]1O Amb33017585 [0,0,0,1,0,0|2,0,1]=4 985 B10R1.58 N[C@H]1CC(C(=O)O)C[C@@H]1O Amb27238051 [0,0,0,1,0,0|2,0,1]=4 986 B10R1.58 N[C@H]1C[C@@H](C(=O)O)C[C@@H]1O Amb27420224 [0,0,0,1,0,0|2,0,1]=4 987 B10R1.58 N[C@H]1C[C@@H](C(=O)O)OC1=O Amb27782562 [0,0,0,1,0,0|1,0,0]=2 988 B10R1.58 N[C@H]1C[C@@H](C(=O)O)SC1=O Amb27486281 [0,0,0,1,0,0|1,1,0]=3 989 B10R1.58 N[C@H]1C[C@H](C(=O)O)C[C@@H]1O Amb28437238 [0,0,0,1,0,0|2,0,1]=4 990 B10R1.58 O=C(O)[C@@H]1C[C@@H](Br)C(=O)O1 Amb28436779 [0,0,0,1,0,0|2,0,0]=3 991 B10R1.58 O=C(O)[C@@H]1C[C@@H](F)C(=O)N1 Amb10839466 [0,0,0,1,0,0|3,0,0]=4 992 B10R1.58 O=C1NC(C(=O)O)CC1F Amb24696741 [0,0,0,1,0,0|3,0,0]=4 993 B10R1.58 O=C1N[C@@H](C(=O)O)C[C@@H]1F Amb27421959 [0,0,0,1,0,0|3,0,0]=4 994 B10R1.58 O=C1N[C@H](C(=O)O)CC1F Amb25360897 [0,0,0,1,0,0|3,0,0]=4 995 B10R1.58 O=C1N[C@H](C(=O)O)CC1O Amb28208546 [0,0,0,1,0,0|3,0,0]=4 996 B10R1.58 O=C1N[C@H](C(=O)O)C[C@@H]1F Amb10838332 [0,0,0,1,0,0|3,0,0]=4 997 B10R1.58 O=C1O[C@H](C(=O)O)C[C@@H]1O Amb25230626 [0,0,0,1,0,0|2,0,0]=3 998 B10R1.80 CC(=O)OC1NC(=O)C1N Amb27838093 [0,0,0,1,0,0|3,0,0]=4 999 B10R1.81 CC1CC(C(N)C(=O)O)C1 Amb35666631 [0,0,0,1,0,0|2,0,1]=4 1000 B10R1.81 NC(C(=O)O)C1CC(F)C1 Amb34162536 [0,0,0,1,0,0|2,0,1]=4 1001 B10R1.120 CC1(C)NC(=O)CCC1N Amb24589681 [0,0,0,1,0,0|2,0,1]=4 1002 B10R1.147 CC1(C)CCC(N)C(=O)O1 Amb27789981 [0,0,0,1,0,0|2,0,1]=4 1003 B10R1.147 CC1(C)CC[C@H](N)C(=O)O1 Amb27855723 [0,0,0,1,0,0|2,0,1]=4 1004 B10R1.147 NC1CCS(=O)(=O)CC1=O Amb18199801 [0,0,0,1,0,0|3,0,0]=4 1005 B10R1.147 NC1CCS(=O)(=O)NC1=O Amb31156124 [0,0,0,1,0,0|3,0,0]=4 1006 B10R1.147 NC1CCS(=O)(=O)NC1=O Amb32752533 [0,0,0,1,0,0|3,0,0]=4 1007 B10R1.190 C=C1CC1CC(N)C(=O)O Amb24117524 [0,0,0,1,0,0|2,0,0]=3 1008 B10R1.190 C=C1CC1C[C@@H](N)C(=O)O Amb24640688 [0,0,0,1,0,0|2,0,0]=3 1009 B10R1.190 C=C1C[C@@H]1C[C@H](N)C(=O)O Amb17615983 [0,0,0,1,0,0|2,0,0]=3 1010 B10R1.190 CC1CC1CC(N)C(=O)O Amb25147396 [0,0,0,1,0,0|2,0,1]=4 1011 B10R1.190 CC1CC1C[C@@H](N)C(=O)O Amb33036595 [0,0,0,1,0,0|2,0,1]=4 1012 B10R1.190 CC1CC1C[C@H](N)C(=O)O Amb25305763 [0,0,0,1,0,0|2,0,1]=4 1013 B10R1.190 CC1SC1CC(N)C(=O)O Amb28143562 [0,0,0,1,0,0|1,1,1]=4 1014 B10R1.190 C[C@@H]1O[C@H]1C[C@H](N)C(=O)O Amb27421923 [0,0,0,1,0,0|1,0,2]=4 1015 B10R1.190 C[C@H]1O[C@H]1C[C@H](N)C(=O)O Amb27254136 [0,0,0,1,0,0|1,0,2]=4 1016 B10R1.190 NC(C[C@@H]1C[C@H]1N)C(=O)O Amb27783818 [0,0,0,1,0,0|1,0,1]=3 1017 B10R1.190 N[C@@H](CC1CC1=O)C(=O)O Amb28315789 [0,0,0,1,0,0|1,0,0]=2 1018 B10R1.190 N[C@H](C[C@@H]1C[C@H]1N)C(=O)O Amb27194166 [0,0,0,1,0,0|1,0,1]=3 1019 B10R1.205 NC(CCC1CC1)C(=O)O Amb18831582 [0,0,0,1,0,0|2,0,1]=4 1020 B10R1.205 N[C@@H](CCC1CC1)C(=O)O Amb25236249 [0,0,0,1,0,0|2,0,1]=4 1021 B10R1.205 N[C@H](CCC1CC1)C(=O)O Amb27801629 [0,0,0,1,0,0|2,0,1]=4 1022 B10R1.332 CN1CCC(=O)NCC1=O Amb33546523 [0,0,0,1,0,0|3,0,0]=4 1023 B10R1.332 O=C1CC[C@H](O)[C@@H](O)CN1 Amb27472973 [0,0,0,1,0,0|2,0,1]=4 1024 B10R1.332 O=C1CC[C@H](O)[C@H](O)CN1 Amb25968454 [0,0,0,1,0,0|2,0,1]=4 1025 B10R1.349 C=C(O)C1CC(C(=O)O)N1 Amb27397366 [0,0,0,1,0,0|1,0,1]=3 1026 B10R1.349 CC(=O)C1CC(C(=O)O)C1 Amb25113879 [0,0,0,1,0,0|2,0,0]=3 1027 B10R1.349 CC(=O)N1CC(C(=O)O)C1 Amb33545591 [0,0,0,1,0,0|3,0,0]=4 1028 B10R1.349 CC(=O)N1CC(C(N)=O)C1 Amb22643533 [0,0,0,1,0,0|3,0,0]=4 1029 B10R1.349 N=C(N)N1CC(C(=O)O)C1 Amb33713440 [0,0,0,1,0,0|3,0,0]=4 1030 B10R1.349 NC(=O)C1CC(C(=O)O)N1 Amb27872340 [0,0,0,1,0,0|0,0,0]=1 1031 B10R1.349 NC(=O)C1CC(C(N)=O)N1 Amb27838142 [0,0,0,1,0,0|1,0,0]=2 1032 B10R1.349 NC(=O)C1CN(C(N)=O)C1 Amb27190302 [0,0,0,1,0,0|3,0,0]=4 1033 B10R1.349 NC(=O)N1CC(C(=O)O)C1 Amb25990817 [0,0,0,1,0,0|2,0,0]=3 1034 B10R1.349 NC(=O)[C@@H]1C[C@H](C(=O)O)N1 Amb27186909 [0,0,0,1,0,0|0,0,0]=1 1035 B10R1.349 NC(=O)[C@@H]1C[C@H](C(N)=O)N1 Amb24540472 [0,0,0,1,0,0|1,0,0]=2 1036 B10R1.349 NC(=O)[C@H]1C[C@@H](C(=O)O)N1 Amb27961402 [0,0,0,1,0,0|0,0,0]=1 1037 B10R1.349 O=C(O)C1CC(C(=O)O)C1 Amb19958786 [0,0,0,1,0,0|2,0,0]=3 1038 B10R1.349 O=C(O)C1CC(C(=O)O)N1 Amb28318335 [0,0,0,1,0,0|1,0,0]=2 1039 B10R1.349 O=C(O)[C@@H]1C[C@@H](C(=O)O)N1 Amb8515688 [0,0,0,1,0,0|1,0,0]=2 1040 B10R1.349 O=C(O)[C@@H]1C[C@H](C(=O)O)N1 Amb8515686 [0,0,0,1,0,0|1,0,0]=2 1041 B10R1.349 O=C(O)[C@H]1C[C@@H](C(=O)O)C1 Amb7970125 [0,0,0,1,0,0|2,0,0]=3 1042 B10R1.349 O=C(O)[C@H]1C[C@H](C(=O)O)C1 Amb19514892 [0,0,0,1,0,0|2,0,0]=3 1043 B10R1.349 O=C(O)[C@H]1C[C@H](C(=O)O)N1 Amb8515687 [0,0,0,1,0,0|1,0,0]=2 1044 B10R1.359 CC1(C)CCC(C(=O)O)N1 Amb17593611 [0,0,0,1,0,0|2,0,1]=4 1045 B10R1.359 CC1(C)CCC(C(=O)O)N1 Amb22755806 [0,0,0,1,0,0|2,0,1]=4 1046 B10R1.359 CP1(=O)CCC(C(=O)O)N1 Amb28436164 [0,0,0,1,0,0|2,0,0]=3 1047 B10R1.359 O=C(O)C1CCP(=O)(O)C1 Amb27450568 [0,0,0,1,0,0|3,0,0]=4 1048 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 Amb2568469 [0,0,0,1,0,0|3,0,0]=4 1049 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 Amb19888363 [0,0,0,1,0,0|2,0,0]=3 1050 B10R1.359 O=C(O)C1COS(=O)(=O)N1 Amb27837946 [0,0,0,1,0,0|3,0,0]=4 1051 B10R1.359 O=C(O)[C@@H]1CCS(=O)(=O)N1 Amb27272810 [0,0,0,1,0,0|2,0,0]=3 1052 B10R1.359 O=C(O)[C@H]1CCS(=O)(=O)N1 Amb27600587 [0,0,0,1,0,0|2,0,0]=3 1053 B10R1.360 CC(=O)C1(Br)CC1C(=O)O Amb28204025 [0,0,0,1,0,0|3,0,0]=4 1054 B10R1.360 CC(=O)[C@@H]1C[C@]1(C)C(C)=O Amb27844205 [0,0,0,1,0,0|3,0,0]=4 1055 B10R1.360 CC(C)C1CC1(N)C(=O)O Amb24477051 [0,0,0,1,0,0|2,0,1]=4 1056 B10R1.360 CC(C)[C@@H]1C[C@@]1(N)C(=O)O Amb23452874 [0,0,0,1,0,0|2,0,1]=4 1057 B10R1.360 CC(C)[C@@H]1C[C@]1(N)C(=O)O Amb23452873 [0,0,0,1,0,0|2,0,1]=4 1058 B10R1.360 CC(C)[C@H]1C[C@@]1(N)C(=O)O Amb26968202 [0,0,0,1,0,0|2,0,1]=4 1059 B10R1.360 CC(C)[C@H]1C[C@]1(N)C(=O)O Amb27961206 [0,0,0,1,0,0|2,0,1]=4 1060 B10R1.360 CC1(C(=O)O)CC1C(=O)O Amb612291 [0,0,0,1,0,0|2,0,0]=3 1061 B10R1.360 C[C@@]1(C(=O)O)C[C@@H]1C(=O)O Amb24598825 [0,0,0,1,0,0|2,0,0]=3 1062 B10R1.360 C[C@@]1(C(=O)O)O[C@@H]1C(=O)O Amb25340526 [0,0,0,1,0,0|3,0,0]=4 1063 B10R1.360 C[C@@]1(C(N)=O)C[C@H]1C(N)=O Amb27216516 [0,0,0,1,0,0|2,0,0]=3 1064 B10R1.360 C[C@]1(C(=O)O)C[C@@H]1C(=O)O Amb27420123 [0,0,0,1,0,0|2,0,0]=3 1065 B10R1.360 C[C@]1(C(=O)O)C[C@H]1C(=O)O Amb27969184 [0,0,0,1,0,0|2,0,0]=3 1066 B10R1.360 NC1(C(=O)O)CC1C(=O)O Amb25124900 [0,0,0,1,0,0|1,0,0]=2 1067 B10R1.360 N[C@@]1(C(=O)O)C[C@H]1C(=O)O Amb24515142 [0,0,0,1,0,0|1,0,0]=2 1068 B10R1.360 N[C@]1(C(=O)O)C[C@H]1C(=O)O Amb23452828 [0,0,0,1,0,0|1,0,0]=2 1069 B10R1.360 O=C(O)C1CC1(Br)C(=O)O Amb27770448 [0,0,0,1,0,0|2,0,0]=3 1070 B10R1.360 O=C(O)C1CC1(Cl)C(=O)O Amb27838075 [0,0,0,1,0,0|2,0,0]=3 1071 B10R1.360 O=C(O)C1CC1(O)C(=O)O Amb27975726 [0,0,0,1,0,0|2,0,0]=3 1072 B10R1.360 O=C(O)[C@@H]1C[C@@]1(Br)C(=O)O Amb27213790 [0,0,0,1,0,0|2,0,0]=3 1073 B10R1.360 O=C(O)[C@H]1C[C@@]1(Br)C(=O)O Amb27969089 [0,0,0,1,0,0|2,0,0]=3 1074 B10R1.360 O=C(O)[C@H]1C[C@@]1(Cl)C(=O)O Amb27984863 [0,0,0,1,0,0|2,0,0]=3 1075 B10R1.368 CC(=O)NC1CC1C(=O)O Amb18831601 [0,0,0,1,0,0|3,0,0]=4 1076 B10R1.368 O=C(O)CC1OC1C(=O)O Amb28146420 [0,0,0,1,0,0|2,0,0]=3 1077 B10R1.368 O=C(O)C[C@@H]1O[C@@H]1C(=O)O Amb27254162 [0,0,0,1,0,0|2,0,0]=3 1078 B10R1.470 C=C1CCC(C)(C(=O)O)C1 Amb25789474 [0,0,0,1,0,0|3,0,0]=4 1079 B10R1.470 C=C1CCC(O)(C(=O)O)C1 Amb27620508 [0,0,0,1,0,0|3,0,0]=4 1080 B10R1.470 CC(=O)C1(C)CCC(=O)C1 Amb25146569 [0,0,0,1,0,0|3,0,0]=4 1081 B10R1.470 CC(=O)C1(O)CCC(=O)O1 Amb26927588 [0,0,0,1,0,0|3,0,0]=4 1082 B10R1.470 CC(O)C1(C)CCC(=O)N1 Amb28241420 [0,0,0,1,0,0|2,0,1]=4 1083 B10R1.470 CC1(C(=O)Cl)CCC(=O)O1 Amb27817345 [0,0,0,1,0,0|3,0,0]=4 1084 B10R1.470 CC1(C(=O)O)CCC(=O)C1 Amb23454199 [0,0,0,1,0,0|2,0,0]=3 1085 B10R1.470 CC1(C(=O)O)CCC(=O)N1 Amb33545084 [0,0,0,1,0,0|1,0,0]=2 1086 B10R1.470 CC1(C(=O)O)CCC(=O)O1 Amb9783335 [0,0,0,1,0,0|2,0,0]=3 1087 B10R1.470 CC1(C(=O)O)CCC(N)C1 Amb23454122 [0,0,0,1,0,0|2,0,1]=4 1088 B10R1.470 CC1(C(=O)O)CCC(N)C1 Amb30666627 [0,0,0,1,0,0|2,0,1]=4 1089 B10R1.470 CC1(C(=O)O)CNC(=O)C1 Amb22546311 [0,0,0,1,0,0|3,0,0]=4 1090 B10R1.470 CC1(C(=O)O)CNC(=O)N1 Amb33745555 [0,0,0,1,0,0|2,0,0]=3 1091 B10R1.470 CC1(C(=O)O)CNC(=O)O1 Amb33736385 [0,0,0,1,0,0|3,0,0]=4 1092 B10R1.470 CC1(C(=O)O)COC(=O)N1 Amb27838110 [0,0,0,1,0,0|2,0,0]=3 1093 B10R1.470 CC1(C(=O)O)COC(=O)O1 Amb28422351 [0,0,0,1,0,0|3,0,0]=4 1094 B10R1.470 CC1=CCC(C)(C(=O)O)N1 Amb17593567 [0,0,0,1,0,0|2,0,1]=4 1095 B10R1.470 CC1CCC(N)(C(=O)O)C1 Amb2695735 [0,0,0,1,0,0|2,0,1]=4 1096 B10R1.470 CC1CCC(N)(C(=O)O)C1 Amb31188353 [0,0,0,1,0,0|2,0,1]=4 1097 B10R1.470 C[C@@H]1CC[C@@](N)(C(=O)O)C1 Amb24373352 [0,0,0,1,0,0|2,0,1]=4 1098 B10R1.470 C[C@@]1(C(=O)O)CCC(=O)N1 Amb28126701 [0,0,0,1,0,0|1,0,0]=2 1099 B10R1.470 C[C@@]1(C(=O)O)CCC(=O)O1 Amb28067769 [0,0,0,1,0,0|2,0,0]=3 1100 B10R1.470 C[C@@]1(C(=O)O)COC(=O)O1 Amb27467542 [0,0,0,1,0,0|3,0,0]=4 1101 B10R1.470 C[C@H]1CC[C@@](N)(C(=O)O)C1 Amb27622425 [0,0,0,1,0,0|2,0,1]=4 1102 B10R1.470 C[C@]1(C(=O)O)CCC(=O)O1 Amb27881875 [0,0,0,1,0,0|2,0,0]=3 1103 B10R1.470 NC1(C(=O)O)CCC(O)C1 Amb26331332 [0,0,0,1,0,0|1,0,2]=4 1104 B10R1.470 NC1(C(=O)O)CCC(O)C1 Amb33456869 [0,0,0,1,0,0|1,0,2]=4 1105 B10R1.470 NC1(C(=O)O)CCS(=O)C1 Amb26884927 [0,0,0,1,0,0|2,0,0]=3 1106 B10R1.470 NC1CCC(F)(C(=O)O)C1 Amb24352012 [0,0,0,1,0,0|2,0,1]=4 1107 B10R1.470 NC1CCC(F)(C(=O)O)C1 Amb32952913 [0,0,0,1,0,0|2,0,1]=4 1108 B10R1.470 N[C@@]1(C(=O)O)CC[C@@H](O)C1 Amb10066916 [0,0,0,1,0,0|1,0,2]=4 1109 B10R1.470 N[C@H]1CC[C@@](O)(C(=O)O)C1 Amb27796254 [0,0,0,1,0,0|2,0,1]=4 1110 B10R1.470 N[C@]1(C(=O)O)CC[C@H](O)C1 Amb35745821 [0,0,0,1,0,0|1,0,2]=4 1111 B10R1.470 O=C1CCC(O)(C(=O)O)O1 Amb28050065 [0,0,0,1,0,0|2,0,0]=3 1112 B10R1.470 O=C1C[C@@](O)(C(=O)O)CO1 Amb25084490 [0,0,0,1,0,0|3,0,0]=4 1113 B8R0.23 BC(CC(=O)O)C(=O)O Amb28287358 [0,0,0,0,1,0|2,0,0]=3 1114 B8R0.23 C=C(Br)CC(N)C(=O)O Amb24557771 [0,0,0,0,1,0|2,0,0]=3 1115 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O Amb22746251 [0,0,0,0,1,0|2,0,0]=3 1116 B8R0.23 C=C(Br)C[C@H](N)C(=O)O Amb25918807 [0,0,0,0,1,0|2,0,0]=3 1117 B8R0.23 C=C(C)C(N)CC(=O)O Amb2697570 [0,0,0,0,1,0|3,0,0]=4 1118 B8R0.23 C=C(C)C(N)CC(N)=O Amb24401112 [0,0,0,0,1,0|2,0,0]=3 1119 B8R0.23 C=C(C)CC(C)C(=O)O Amb24471924 [0,0,0,0,1,0|3,0,0]=4 1120 B8R0.23 C=C(C)CC(N)C(=O)O Amb6280366 [0,0,0,0,1,0|2,0,0]=3 1121 B8R0.23 C=C(C)CC(N)C(N)=O Amb26326676 [0,0,0,0,1,0|3,0,0]=4 1122 B8R0.23 C=C(C)CC(O)C(=O)O Amb24534477 [0,0,0,0,1,0|3,0,0]=4 1123 B8R0.23 C=C(C)C[C@@H](C)C(=O)O Amb24340253 [0,0,0,0,1,0|3,0,0]=4 1124 B8R0.23 C=C(C)C[C@@H](N)C(=O)O Amb22801689 [0,0,0,0,1,0|2,0,0]=3 1125 B8R0.23 C=C(C)C[C@H](C)C(=O)O Amb10843988 [0,0,0,0,1,0|3,0,0]=4 1126 B8R0.23 C=C(C)C[C@H](N)C(=O)O Amb25757900 [0,0,0,0,1,0|2,0,0]=3 1127 B8R0.23 C=C(CC(=O)O)C(=O)O Amb6608656 [0,0,0,0,1,0|2,0,1]=4 1128 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb24411473 [0,0,0,0,1,0|2,0,0]=3 1129 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb28935021 [0,0,0,0,1,0|2,0,0]=3 1130 B8R0.23 C=C(Cl)CC(N)C(N)=O Amb33308519 [0,0,0,0,1,0|3,0,0]=4 1131 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660529 [0,0,0,0,1,0|2,0,0]=3 1132 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660530 [0,0,0,0,1,0|2,0,0]=3 1133 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb28059492 [0,0,0,0,1,0|2,0,0]=3 1134 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb32656263 [0,0,0,0,1,0|2,0,0]=3 1135 B8R0.23 C=C(F)CC(C)C(=O)O Amb27975781 [0,0,0,0,1,0|3,0,0]=4 1136 B8R0.23 C=C(F)CC(Cl)C(=O)O Amb27876022 [0,0,0,0,1,0|3,0,0]=4 1137 B8R0.23 C=C(F)C[C@@H](N)C(=O)O Amb27771842 [0,0,0,0,1,0|2,0,0]=3 1138 B8R0.23 CC(=O)C(Br)CC(=O)O Amb27834306 [0,0,0,0,1,0|3,0,0]=4 1139 B8R0.23 CC(=O)C(C)CC(=O)O Amb18292788 [0,0,0,0,1,0|3,0,0]=4 1140 B8R0.23 CC(=O)C(C)NC(N)=O Amb27778024 [0,0,0,0,1,0|3,0,0]=4 1141 B8R0.23 CC(=O)C(N)CC(=O)O Amb2697582 [0,0,0,0,1,0|2,0,0]=3 1142 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [0,0,0,0,1,0|1,0,0]=2 1143 B8R0.23 CC(=O)C(O)CC(=O)O Amb25341886 [0,0,0,0,1,0|3,0,0]=4 1144 B8R0.23 CC(=O)CC(=O)C(=O)O Amb18642736 [0,0,0,0,1,0|2,0,1]=4 1145 B8R0.23 CC(=O)CC(C)C(=O)O Amb3939893 [0,0,0,0,1,0|2,0,0]=3 1146 B8R0.23 CC(=O)CC(C)C(C)=O Amb26490545 [0,0,0,0,1,0|3,0,0]=4 1147 B8R0.23 CC(=O)CC(N)C(=O)O Amb18832532 [0,0,0,0,1,0|1,0,0]=2 1148 B8R0.23 CC(=O)CC(N)C(=O)O Amb22546289 [0,0,0,0,1,0|1,0,0]=2 1149 B8R0.23 CC(=O)CC(N)C(N)=O Amb27485103 [0,0,0,0,1,0|2,0,0]=3 1150 B8R0.23 CC(=O)CC(O)C(=O)O Amb22500917 [0,0,0,0,1,0|2,0,0]=3 1151 B8R0.23 CC(=O)C[C@@H](N)C(=O)O Amb22745939 [0,0,0,0,1,0|1,0,0]=2 1152 B8R0.23 CC(=O)C[C@@H](O)C(=O)O Amb26845481 [0,0,0,0,1,0|2,0,0]=3 1153 B8R0.23 CC(=O)C[C@H](C)C(=O)O Amb26318005 [0,0,0,0,1,0|2,0,0]=3 1154 B8R0.23 CC(=O)C[C@H](C)C(C)=O Amb28051038 [0,0,0,0,1,0|3,0,0]=4 1155 B8R0.23 CC(=O)C[C@H](N)C(=O)O Amb27832342 [0,0,0,0,1,0|1,0,0]=2 1156 B8R0.23 CC(=O)C[C@H](O)C(=O)O Amb24358758 [0,0,0,0,1,0|2,0,0]=3 1157 B8R0.23 CC(=O)N(C)CC(N)=O Amb8999134 [0,0,0,0,1,0|3,0,0]=4 1158 B8R0.23 CC(=O)NC(C)C(=O)O Amb9745652 [0,0,0,0,1,0|3,0,0]=4 1159 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Amb8390375 [0,0,0,0,1,0|3,0,0]=4 1160 B8R0.23 CC(=O)N[C@H](C)C(=O)O Amb19944277 [0,0,0,0,1,0|3,0,0]=4 1161 B8R0.23 CC(=O)OC(C)C(=O)O Amb22360672 [0,0,0,0,1,0|3,0,0]=4 1162 B8R0.23 CC(=O)O[C@@H](C)C(=O)O Amb3938984 [0,0,0,0,1,0|3,0,0]=4 1163 B8R0.23 CC(=O)O[C@H](C)C(=O)O Amb26458759 [0,0,0,0,1,0|3,0,0]=4 1164 B8R0.23 CC(=O)S[C@@H](C)C(=O)O Amb26639910 [0,0,0,0,1,0|3,0,0]=4 1165 B8R0.23 CC(=O)S[C@H](C)C(=O)O Amb28118658 [0,0,0,0,1,0|3,0,0]=4 1166 B8R0.23 CC(=O)[C@@H](N)CC(N)=O Amb28044564 [0,0,0,0,1,0|1,0,0]=2 1167 B8R0.23 CC(=O)[C@@H](O)CC(=O)O Amb28398474 [0,0,0,0,1,0|3,0,0]=4 1168 B8R0.23 CC(=O)[C@H](C)CC(=O)O Amb25360184 [0,0,0,0,1,0|3,0,0]=4 1169 B8R0.23 CC(=O)\C=C(/N)C(=O)O Amb28206217 [0,0,0,0,1,0|1,0,2]=4 1170 B8R0.23 CC(C)C(N)CC(N)=O Amb18296021 [0,0,0,0,1,0|2,0,1]=4 1171 B8R0.23 CC(C)CC(N)C(=O)O Amb9703094 [0,0,0,0,1,0|2,0,1]=4 1172 B8R0.23 CC(C)C[C@@H](N)C(=O)O Amb2720579 [0,0,0,0,1,0|2,0,1]=4 1173 B8R0.23 CC(C)C[C@H](N)C(=O)O Amb3499446 [0,0,0,0,1,0|2,0,1]=4 1174 B8R0.23 CC(C)[C@@H](N)CC(N)=O Amb28340737 [0,0,0,0,1,0|2,0,1]=4 1175 B8R0.23 CC(C)[C@H](N)CC(N)=O Amb24481857 [0,0,0,0,1,0|2,0,1]=4 1176 B8R0.23 CC(CC(=N)N)C(N)=O Amb27209796 [0,0,0,0,1,0|3,0,0]=4 1177 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [0,0,0,0,1,0|3,0,0]=4 1178 B8R0.23 CC(CC(=O)O)C(=O)O Amb1935053 [0,0,0,0,1,0|2,0,0]=3 1179 B8R0.23 CC(CC(=O)O)C(N)=O Amb25737942 [0,0,0,0,1,0|3,0,0]=4 1180 B8R0.23 CC(CC(N)=O)C(=O)O Amb27596628 [0,0,0,0,1,0|1,0,0]=2 1181 B8R0.23 CC(CC(N)=O)C(N)=O Amb2720769 [0,0,0,0,1,0|2,0,0]=3 1182 B8R0.23 CC(CN(C)N)C(=O)O Amb28145156 [0,0,0,0,1,0|3,0,0]=4 1183 B8R0.23 CC(CS(=O)O)C(=O)O Amb28118949 [0,0,0,0,1,0|3,0,0]=4 1184 B8R0.23 CC(CS(C)=O)C(=O)O Amb18974546 [0,0,0,0,1,0|3,0,0]=4 1185 B8R0.23 CC(C[PH](=O)O)C(=O)O Amb27477749 [0,0,0,0,1,0|3,0,0]=4 1186 B8R0.23 CC(Cl)CC(N)C(=O)O Amb28325413 [0,0,0,0,1,0|2,0,1]=4 1187 B8R0.23 CC(N)CC(N)C(=O)O Amb28144636 [0,0,0,0,1,0|1,0,1]=3 1188 B8R0.23 CC(N)CC(O)C(=O)O Amb27975686 [0,0,0,0,1,0|2,0,1]=4 1189 B8R0.23 CC(NC(=N)N)C(=O)O Amb22522920 [0,0,0,0,1,0|3,0,0]=4 1190 B8R0.23 CC(NC(N)=O)C(=O)O Amb9745673 [0,0,0,0,1,0|2,0,0]=3 1191 B8R0.23 CC(O)C(N)CC(=O)O Amb27424723 [0,0,0,0,1,0|2,0,1]=4 1192 B8R0.23 CC(O)C(N)CC(N)=O Amb27246007 [0,0,0,0,1,0|1,0,1]=3 1193 B8R0.23 CC(O)CC(N)C(=O)O Amb18642918 [0,0,0,0,1,0|1,0,2]=4 1194 B8R0.23 CC(O)C[C@@H](N)C(=O)O Amb26985188 [0,0,0,0,1,0|1,0,2]=4 1195 B8R0.23 CC(O)C[C@H](N)C(=O)O Amb27185464 [0,0,0,0,1,0|1,0,2]=4 1196 B8R0.23 CC(OC(=O)Cl)C(=O)O Amb27241520 [0,0,0,0,1,0|3,0,0]=4 1197 B8R0.23 CC(\N=C(/N)S)C(=O)O Amb22229340 [0,0,0,0,1,0|2,1,0]=4 1198 B8R0.23 CN(C)CC(N)C(=O)O Amb23558085 [0,0,0,0,1,0|3,0,0]=4 1199 B8R0.23 CN(C)CC(N)C(=O)O Amb32644516 [0,0,0,0,1,0|3,0,0]=4 1200 B8R0.23 CN(C)CC(N)C(=O)O Amb33756799 [0,0,0,0,1,0|3,0,0]=4 1201 B8R0.23 CN(C)C[C@@H](N)C(=O)O Amb19889770 [0,0,0,0,1,0|3,0,0]=4 1202 B8R0.23 CN(C)C[C@H](N)C(=O)O Amb24078627 [0,0,0,0,1,0|3,0,0]=4 1203 B8R0.23 CN(C)C[C@H](N)C(=O)O Amb8515079 [0,0,0,0,1,0|3,0,0]=4 1204 B8R0.23 CS(=N)C[C@H](N)C(=O)O Amb27838573 [0,0,0,0,1,0|2,0,1]=4 1205 B8R0.23 CS(=O)CC(N)C(=O)O Amb18125279 [0,0,0,0,1,0|2,0,0]=3 1206 B8R0.23 CS(=O)CC(N)C(N)=O Amb27608115 [0,0,0,0,1,0|3,0,0]=4 1207 B8R0.23 CS(=O)C[C@@H](N)C(=O)O Amb22745418 [0,0,0,0,1,0|2,0,0]=3 1208 B8R0.23 CS(=O)C[C@H](N)C(=O)O Amb16232229 [0,0,0,0,1,0|2,0,0]=3 1209 B8R0.23 C[C@@H](CC(=O)O)C(=O)O Amb22226742 [0,0,0,0,1,0|2,0,0]=3 1210 B8R0.23 C[C@@H](Cl)C[C@H](N)C(=O)O Amb27863035 [0,0,0,0,1,0|2,0,1]=4 1211 B8R0.23 C[C@@H](NC(N)=O)C(=O)O Amb27242972 [0,0,0,0,1,0|2,0,0]=3 1212 B8R0.23 C[C@@H](NC(N)=O)C(N)=O Amb27394390 [0,0,0,0,1,0|3,0,0]=4 1213 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O Amb27254158 [0,0,0,0,1,0|1,0,2]=4 1214 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Amb22168848 [0,0,0,0,1,0|2,0,1]=4 1215 B8R0.23 C[C@@H](OC(N)=O)C(=O)O Amb35655773 [0,0,0,0,1,0|2,0,0]=3 1216 B8R0.23 C[C@H](CC(=O)O)C(=O)O Amb22225399 [0,0,0,0,1,0|2,0,0]=3 1217 B8R0.23 C[C@H](CC(=O)O)C(N)=O Amb28133461 [0,0,0,0,1,0|3,0,0]=4 1218 B8R0.23 C[C@H](N)C[C@@H](O)C(=O)O Amb27231129 [0,0,0,0,1,0|2,0,1]=4 1219 B8R0.23 C[C@H](N)C[C@H](N)C(=O)O Amb27815088 [0,0,0,0,1,0|1,0,1]=3 1220 B8R0.23 C[C@H](N)C[C@H](O)C(=O)O Amb27180466 [0,0,0,0,1,0|2,0,1]=4 1221 B8R0.23 C[C@H](NC(=N)N)C(=O)O Amb24388432 [0,0,0,0,1,0|3,0,0]=4 1222 B8R0.23 C[C@H](NC(N)=O)C(=O)O Amb545023 [0,0,0,0,1,0|2,0,0]=3 1223 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O Amb16184021 [0,0,0,0,1,0|2,0,1]=4 1224 B8R0.23 C[S@@](=O)C[C@H](N)C(=O)O Amb35789128 [0,0,0,0,1,0|2,0,0]=3 1225 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb33756818 [0,0,0,0,1,0|2,0,0]=3 1226 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb35788678 [0,0,0,0,1,0|2,0,0]=3 1227 B8R0.23 C\C(=C/C(N)=O)C(=O)O Amb28060883 [0,0,0,0,1,0|1,0,2]=4 1228 B8R0.23 NC(=O)C(N)CC(=O)O Amb18124347 [0,0,0,0,1,0|2,0,0]=3 1229 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666212 [0,0,0,0,1,0|2,0,0]=3 1230 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666239 [0,0,0,0,1,0|2,0,0]=3 1231 B8R0.23 NC(=O)C(O)CC(=O)[O-] Amb33068981 [0,0,0,0,1,0|3,0,0]=4 1232 B8R0.23 NC(=O)CC(Br)C(=O)O Amb26012685 [0,0,0,0,1,0|1,0,0]=2 1233 B8R0.23 NC(=O)CC(Cl)C(=O)O Amb27478086 [0,0,0,0,1,0|1,0,0]=2 1234 B8R0.23 NC(=O)CC(N)C(=O)O Amb2725509 [0,0,0,0,1,0|0,0,0]=1 1235 B8R0.23 NC(=O)CC(N)C(=O)O Amb3940878 [0,0,0,0,1,0|0,0,0]=1 1236 B8R0.23 NC(=O)CC(N)C(F)F Amb32418214 [0,0,0,0,1,0|2,0,1]=4 1237 B8R0.23 NC(=O)CC(N)C(N)=O Amb18289248 [0,0,0,0,1,0|1,0,0]=2 1238 B8R0.23 NC(=O)CC(O)C(=O)O Amb27807542 [0,0,0,0,1,0|1,0,0]=2 1239 B8R0.23 NC(=O)CC(O)C(N)=O Amb27961515 [0,0,0,0,1,0|2,0,0]=3 1240 B8R0.23 NC(=O)CC(S)C(=O)O Amb27494183 [0,0,0,0,1,0|1,0,0]=2 1241 B8R0.23 NC(=O)C[C@@H](Br)C(=O)O Amb27858620 [0,0,0,0,1,0|1,0,0]=2 1242 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb10071271 [0,0,0,0,1,0|0,0,0]=1 1243 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb17749060 [0,0,0,0,1,0|0,0,0]=1 1244 B8R0.23 NC(=O)C[C@@H](N)C(N)=O Amb28423711 [0,0,0,0,1,0|1,0,0]=2 1245 B8R0.23 NC(=O)C[C@@H](O)C(=O)O Amb24681022 [0,0,0,0,1,0|1,0,0]=2 1246 B8R0.23 NC(=O)C[C@@H](O)C(N)=O Amb27258074 [0,0,0,0,1,0|2,0,0]=3 1247 B8R0.23 NC(=O)C[C@@H](S)C(=O)O Amb27234637 [0,0,0,0,1,0|1,0,0]=2 1248 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb3940760 [0,0,0,0,1,0|0,0,0]=1 1249 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb8513755 [0,0,0,0,1,0|0,0,0]=1 1250 B8R0.23 NC(=O)C[C@H](N)C(N)=O Amb16183882 [0,0,0,0,1,0|1,0,0]=2 1251 B8R0.23 NC(=O)C[C@H](S)C(=O)O Amb27253643 [0,0,0,0,1,0|1,0,0]=2 1252 B8R0.23 NC(=O)N(N)CC(=O)O Amb6296397 [0,0,0,0,1,0|3,0,0]=4 1253 B8R0.23 NC(=O)NC(=O)C(=O)O Amb18124345 [0,0,0,0,1,0|2,0,1]=4 1254 B8R0.23 NC(=O)NC(O)C(=O)O Amb24592607 [0,0,0,0,1,0|2,0,0]=3 1255 B8R0.23 NC(=O)N[C@@H](O)C(=O)O Amb28287313 [0,0,0,0,1,0|2,0,0]=3 1256 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb19334954 [0,0,0,0,1,0|2,0,0]=3 1257 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb31291739 [0,0,0,0,1,0|2,0,0]=3 1258 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb32652393 [0,0,0,0,1,0|2,0,0]=3 1259 B8R0.23 NC(=O)[C@H](N)CC(=O)O Amb27768775 [0,0,0,0,1,0|2,0,0]=3 1260 B8R0.23 NC(=O)\C=C(/Cl)C(=O)O Amb27815058 [0,0,0,0,1,0|1,0,2]=4 1261 B8R0.23 NC(=O)\C=C(/N)C(N)=O Amb5728013 [0,0,0,0,1,0|1,0,2]=4 1262 B8R0.23 NC(=O)\C=C(\F)C(=O)O Amb27447226 [0,0,0,0,1,0|1,0,2]=4 1263 B8R0.23 NC(=S)C[C@H](N)C(=O)O Amb28410343 [0,0,0,0,1,0|0,1,0]=2 1264 B8R0.23 NC(C=C(Cl)Cl)C(=O)O Amb22350718 [0,0,0,0,1,0|2,0,1]=4 1265 B8R0.23 NC(C=S(=O)=O)C(=O)O Amb27231764 [0,0,0,0,1,0|2,0,1]=4 1266 B8R0.23 NC(CB(O)O)C(=O)O Amb28285179 [0,0,0,0,1,0|2,0,1]=4 1267 B8R0.23 NC(CB(O)O)C(=O)O Amb33803309 [0,0,0,0,1,0|2,0,1]=4 1268 B8R0.23 NC(CC(=O)O)C(=O)O Amb9702780 [0,0,0,0,1,0|1,0,0]=2 1269 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22167994 [0,0,0,0,1,0|1,0,1]=3 1270 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22337568 [0,0,0,0,1,0|1,0,1]=3 1271 B8R0.23 NC(CC(Cl)Cl)C(=O)O Amb27791749 [0,0,0,0,1,0|2,0,1]=4 1272 B8R0.23 NC(CC(F)F)C(=O)O Amb13952714 [0,0,0,0,1,0|2,0,1]=4 1273 B8R0.23 NC(CC(F)F)C(=O)O Amb33546007 [0,0,0,0,1,0|2,0,1]=4 1274 B8R0.23 NC(CS(=O)O)C(=O)O Amb541272 [0,0,0,0,1,0|2,0,0]=3 1275 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb34163080 [0,0,0,0,1,0|1,0,0]=2 1276 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb3940320 [0,0,0,0,1,0|1,0,0]=2 1277 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] Amb22801032 [0,0,0,0,1,0|1,0,1]=3 1278 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb20240565 [0,0,0,0,1,0|1,0,0]=2 1279 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb22748769 [0,0,0,0,1,0|1,0,0]=2 1280 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] Amb22757383 [0,0,0,0,1,0|1,0,1]=3 1281 B8R0.23 N[C@@H](CC(F)F)C(=O)O Amb26944439 [0,0,0,0,1,0|2,0,1]=4 1282 B8R0.23 N[C@@H](CC(F)F)C(=O)O Amb33482837 [0,0,0,0,1,0|2,0,1]=4 1283 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb6600148 [0,0,0,0,1,0|2,0,0]=3 1284 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb9809803 [0,0,0,0,1,0|2,0,0]=3 1285 B8R0.23 N[C@@H](C[SH](=O)=O)C(=O)O Amb27858626 [0,0,0,0,1,0|2,0,0]=3 1286 B8R0.23 N[C@H](CC(=O)O)C(=O)O Amb6599992 [0,0,0,0,1,0|1,0,0]=2 1287 B8R0.23 N[C@H](CC(F)F)C(=O)O Amb25117310 [0,0,0,0,1,0|2,0,1]=4 1288 B8R0.23 N[C@H](CC(F)F)C(=O)O Amb33743521 [0,0,0,0,1,0|2,0,1]=4 1289 B8R0.23 O=C(Cl)CC(Cl)C(=O)Cl Amb28122555 [0,0,0,0,1,0|3,0,0]=4 1290 B8R0.23 O=C(O)C(O)C[N+](=O)[O-] Amb6883775 [0,0,0,0,1,0|3,0,0]=4 1291 B8R0.23 O=C(O)CC(=O)C(=O)O Amb3909986 [0,0,0,0,1,0|2,0,1]=4 1292 B8R0.23 O=C(O)CC(=S)C(=O)O Amb25304511 [0,0,0,0,1,0|2,0,1]=4 1293 B8R0.23 O=C(O)CC(Br)C(=O)O Amb3941503 [0,0,0,0,1,0|2,0,0]=3 1294 B8R0.23 O=C(O)CC(Cl)C(=O)O Amb9825869 [0,0,0,0,1,0|2,0,0]=3 1295 B8R0.23 O=C(O)CC(O)C(=O)O Amb8513238 [0,0,0,0,1,0|2,0,0]=3 1296 B8R0.23 O=C(O)CC(S)C(=O)O Amb2779994 [0,0,0,0,1,0|2,0,0]=3 1297 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O Amb22504149 [0,0,0,0,1,0|2,0,0]=3 1298 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O Amb20242424 [0,0,0,0,1,0|2,0,0]=3 1299 B8R0.23 O=C(O)C[C@@H](F)C(=O)O Amb27173500 [0,0,0,0,1,0|2,0,0]=3 1300 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Amb4166311 [0,0,0,0,1,0|2,0,0]=3 1301 B8R0.23 O=C(O)C[C@H](Br)C(=O)O Amb8629197 [0,0,0,0,1,0|2,0,0]=3 1302 B8R0.23 O=C(O)C[C@H](Cl)C(=O)O Amb20242425 [0,0,0,0,1,0|2,0,0]=3 1303 B8R0.23 O=C(O)C[C@H](F)C(=O)O Amb27167819 [0,0,0,0,1,0|2,0,0]=3 1304 B8R0.23 O=C(O)C[C@H](O)C(=O)O Amb6599993 [0,0,0,0,1,0|2,0,0]=3 1305 B8R0.23 O=C([O-])CC(O)C(=O)[O-] Amb30876864 [0,0,0,0,1,0|2,0,1]=4 1306 B8R0.23 O=C([O-])C[C@H](O)C(=O)[O-] Amb22351833 [0,0,0,0,1,0|2,0,1]=4 1307 B10R0.96 CC(=O)CC(C)CCC(=O)O Amb32667485 [0,0,0,0,0,1|3,0,0]=4 1308 B10R0.96 CC(=O)CCC(C)CC(=O)O Amb32668383 [0,0,0,0,0,1|2,0,0]=3 1309 B10R0.96 CC(=O)NC(C)CCC(=O)O Amb27492061 [0,0,0,0,0,1|3,0,0]=4 1310 B10R0.96 CC(=O)NCC(O)CC(=O)O Amb28079665 [0,0,0,0,0,1|3,0,0]=4 1311 B10R0.96 CC(C)CCC(N)CC(=O)O Amb18830323 [0,0,0,0,0,1|2,0,1]=4 1312 B10R0.96 CC(CCC(=O)Cl)CC(=O)Cl Amb3940506 [0,0,0,0,0,1|3,0,0]=4 1313 B10R0.96 CC(CCC(=O)O)CC(=O)O Amb6608722 [0,0,0,0,0,1|2,0,0]=3 1314 B10R0.96 CC(CCC(=O)O)NC(N)=O Amb27492066 [0,0,0,0,0,1|3,0,0]=4 1315 B10R0.96 CN(C)CCC(N)CC(=O)O Amb33273734 [0,0,0,0,0,1|3,0,0]=4 1316 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O Amb22746285 [0,0,0,0,0,1|0,0,0]=1 1317 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O Amb22348459 [0,0,0,0,0,1|0,0,0]=1 1318 B10R0.96 NC(=O)CNC(=O)CC(=O)O Amb18315747 [0,0,0,0,0,1|2,0,1]=4 1319 B10R0.96 NC(=O)NCC(O)CC(=O)O Amb28079675 [0,0,0,0,0,1|2,0,0]=3 1320 B10R0.96 NC(CCC(=O)O)CC(=O)O Amb8631356 [0,0,0,0,0,1|1,0,0]=2 1321 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O Amb16232070 [0,0,0,0,0,1|1,0,0]=2 1322 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O Amb22750585 [0,0,0,0,0,1|1,0,0]=2 1323 B10R0.96 O=C(O)CCC(O)CC(=O)O Amb22727761 [0,0,0,0,0,1|2,0,0]=3 1324 B10R0.98 CC(=O)CCCC(N)C(=O)O Amb33036722 [0,0,0,0,0,1|1,0,0]=2 1325 B10R0.98 CC(=O)CCCC(N)C(N)=O Amb33308963 [0,0,0,0,0,1|2,0,0]=3 1326 B10R0.98 CC(=O)CCC[C@@H](N)C(=O)O Amb32937025 [0,0,0,0,0,1|1,0,0]=2 1327 B10R0.98 CC(=O)CCC[C@H](N)C(=O)O Amb32865922 [0,0,0,0,0,1|1,0,0]=2 1328 B10R0.98 CC(=O)CCNC(C)C(=O)O Amb32675829 [0,0,0,0,0,1|2,0,0]=3 1329 B10R0.98 CC(=O)CSCC(=O)C(=O)O Amb33069919 [0,0,0,0,0,1|2,0,1]=4 1330 B10R0.98 CC(=O)NCCC(C)C(=O)O Amb27270987 [0,0,0,0,0,1|2,0,0]=3 1331 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O Amb26659493 [0,0,0,0,0,1|1,0,0]=2 1332 B10R0.98 CC(=O)NCC[C@H](O)C(=O)O Amb27670710 [0,0,0,0,0,1|2,0,0]=3 1333 B10R0.98 CC(=O)OCCC(Cl)C(C)=O Amb16234124 [0,0,0,0,0,1|3,0,0]=4 1334 B10R0.98 CC(C)=CCCC(N)C(=O)O Amb27001257 [0,0,0,0,0,1|2,0,0]=3 1335 B10R0.98 CC(C)=CCCC(N)C(N)=O Amb33065941 [0,0,0,0,0,1|3,0,0]=4 1336 B10R0.98 CC(C)=CCC[C@@H](N)C(=O)O Amb33065465 [0,0,0,0,0,1|2,0,0]=3 1337 B10R0.98 CC(C)=CCC[C@H](N)C(=O)O Amb25383796 [0,0,0,0,0,1|2,0,0]=3 1338 B10R0.98 CC(C)=CSCC(N)C(=O)O Amb25386034 [0,0,0,0,0,1|2,0,1]=4 1339 B10R0.98 CC(C)CCCC(N)C(=O)O Amb30584746 [0,0,0,0,0,1|2,0,1]=4 1340 B10R0.98 CC(C)CCCC(N)C(=O)O Amb32679429 [0,0,0,0,0,1|2,0,1]=4 1341 B10R0.98 CC(C)CCC[C@@H](N)C(=O)O Amb22745714 [0,0,0,0,0,1|2,0,1]=4 1342 B10R0.98 CC(C)CCC[C@H](N)C(=O)O Amb34161240 [0,0,0,0,0,1|2,0,1]=4 1343 B10R0.98 CC(C)COCC(N)C(=O)O Amb18788052 [0,0,0,0,0,1|2,0,1]=4 1344 B10R0.98 CC(C)COC[C@@H](N)C(=O)O Amb33065410 [0,0,0,0,0,1|2,0,1]=4 1345 B10R0.98 CC(C)COC[C@H](N)C(=O)O Amb32668496 [0,0,0,0,0,1|2,0,1]=4 1346 B10R0.98 CC(C)OCCC(N)C(=O)O Amb18180011 [0,0,0,0,0,1|2,0,1]=4 1347 B10R0.98 CC(C)OCC[C@@H](N)C(=O)O Amb31295667 [0,0,0,0,0,1|2,0,1]=4 1348 B10R0.98 CC(C)OCC[C@H](N)C(=O)O Amb33036708 [0,0,0,0,0,1|2,0,1]=4 1349 B10R0.98 CC(C)SCCC(N)C(=O)O Amb18180682 [0,0,0,0,0,1|2,0,1]=4 1350 B10R0.98 CC(C)SCC[C@@H](N)C(=O)O Amb33069965 [0,0,0,0,0,1|2,0,1]=4 1351 B10R0.98 CC(C)SCC[C@H](N)C(=O)O Amb33065836 [0,0,0,0,0,1|2,0,1]=4 1352 B10R0.98 CC(CCNC(N)=O)C(=O)O Amb27270986 [0,0,0,0,0,1|1,0,0]=2 1353 B10R0.98 CC(N)CCCC(C)C(=O)O Amb19337779 [0,0,0,0,0,1|2,0,1]=4 1354 B10R0.98 CC(N)CCCC(C)C(=O)O Amb22059651 [0,0,0,0,0,1|2,0,1]=4 1355 B10R0.98 CC(NCCC(=O)O)C(=O)O Amb18098310 [0,0,0,0,0,1|2,0,0]=3 1356 B10R0.98 CC(O)CCCC(N)C(=O)O Amb32941153 [0,0,0,0,0,1|1,0,2]=4 1357 B10R0.98 CC(O)CCC[C@@H](N)C(=O)O Amb33066250 [0,0,0,0,0,1|1,0,2]=4 1358 B10R0.98 CC(O)CCC[C@H](N)C(=O)O Amb33127508 [0,0,0,0,0,1|1,0,2]=4 1359 B10R0.98 CC(SCCC(=O)O)C(=O)O Amb17501234 [0,0,0,0,0,1|2,0,0]=3 1360 B10R0.98 CC(SCCC(=O)O)C(N)=O Amb9202514 [0,0,0,0,0,1|3,0,0]=4 1361 B10R0.98 CN(C)CCCC(N)C(=O)O Amb18199837 [0,0,0,0,0,1|3,0,0]=4 1362 B10R0.98 CN(C)CCC[C@@H](N)C(=O)O Amb31295703 [0,0,0,0,0,1|3,0,0]=4 1363 B10R0.98 CN(C)CCC[C@H](N)C(=O)O Amb33036715 [0,0,0,0,0,1|3,0,0]=4 1364 B10R0.98 C\C(=C/CNC(N)=O)C(=O)O Amb35584815 [0,0,0,0,0,1|1,0,2]=4 1365 B10R0.98 N=C(N)CSCC(=O)C(=O)O Amb33069780 [0,0,0,0,0,1|2,0,1]=4 1366 B10R0.98 N=C(N)NCC[C@@H](N)C(=O)O Amb27266501 [0,0,0,0,0,1|1,0,0]=2 1367 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O Amb20240584 [0,0,0,0,0,1|1,0,0]=2 1368 B10R0.98 NC(=O)CCNC(=O)C(=O)O Amb9416245 [0,0,0,0,0,1|1,0,1]=3 1369 B10R0.98 NC(=O)CONC(=O)C(=O)O Amb27818421 [0,0,0,0,0,1|2,0,1]=4 1370 B10R0.98 NC(=O)CSCC(=O)C(=O)O Amb33069776 [0,0,0,0,0,1|1,0,1]=3 1371 B10R0.98 NC(=O)NCCC(O)C(=O)O Amb27670719 [0,0,0,0,0,1|1,0,0]=2 1372 B10R0.98 NC(=O)NCC[C@H](O)C(=O)O Amb27670720 [0,0,0,0,0,1|1,0,0]=2 1373 B10R0.98 NC(=O)N\N=C\C(O)C(=O)O Amb27617440 [0,0,0,0,0,1|2,0,1]=4 1374 B10R0.98 NC(CCCC(=O)O)C(=O)O Amb22740152 [0,0,0,0,0,1|1,0,0]=2 1375 B10R0.98 NC(CCCC(=O)O)C(=O)O Amb6334822 [0,0,0,0,0,1|1,0,0]=2 1376 B10R0.98 NC(CCCC(F)F)C(=O)O Amb32788578 [0,0,0,0,0,1|2,0,1]=4 1377 B10R0.98 NC(CSC=C(Cl)Cl)C(=O)O Amb27673666 [0,0,0,0,0,1|2,0,1]=4 1378 B10R0.98 NC(CSCC(=O)O)C(=O)O Amb6740297 [0,0,0,0,0,1|1,0,0]=2 1379 B10R0.98 NC(N)=NCCC(N)C(=O)O Amb22492813 [0,0,0,0,0,1|1,0,0]=2 1380 B10R0.98 NC(N)=NCC[C@H](N)C(=O)O Amb33842525 [0,0,0,0,0,1|1,0,0]=2 1381 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O Amb6600090 [0,0,0,0,0,1|1,0,0]=2 1382 B10R0.98 N[C@@H](CCCC(F)F)C(=O)O Amb33066046 [0,0,0,0,0,1|2,0,1]=4 1383 B10R0.98 N[C@@H](CSC=C(Cl)Cl)C(=O)O Amb25384396 [0,0,0,0,0,1|2,0,1]=4 1384 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Amb16232500 [0,0,0,0,0,1|1,0,0]=2 1385 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Amb6336477 [0,0,0,0,0,1|1,0,0]=2 1386 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Amb8629031 [0,0,0,0,0,1|1,0,0]=2 1387 B10R0.98 N[C@H](CCCC(F)F)C(=O)O Amb33309003 [0,0,0,0,0,1|2,0,1]=4 1388 B10R0.98 N[C@H](C\C=C\C(=O)O)C(=O)O Amb25383155 [0,0,0,0,0,1|1,0,1]=3 1389 B10R0.98 O=C(O)CCCC(O)C(=O)O Amb21963897 [0,0,0,0,0,1|2,0,0]=3 1390 B10R0.98 O=C(O)CSCC(=O)C(=O)O Amb33069681 [0,0,0,0,0,1|2,0,1]=4 1391 B10R0.98 O=C([O-])CCCC(O)C(=O)[O-] Amb22284811 [0,0,0,0,0,1|2,0,1]=4 1392 B7R0.3 C=CC(N)CCC=O Amb33036368 [2,0,0,0,0,0|1,0,0]=3 1393 B7R0.3 C=CCCC(C)C=O Amb25100921 [2,0,0,0,0,0|2,0,0]=4 1394 B7R0.3 C=CCCC(N)CO Amb33532619 [2,0,0,0,0,0|1,0,1]=4 1395 B7R0.3 C=CCCC(O)C=O Amb27863605 [2,0,0,0,0,0|2,0,0]=4 1396 B7R0.3 C=CCC[C@H](C)C=O Amb27799770 [2,0,0,0,0,0|2,0,0]=4 1397 B7R0.3 C=CCC[C@H](N)CO Amb27390564 [2,0,0,0,0,0|1,0,1]=4 1398 B7R0.3 C=C[C@@H](C)CCC=O Amb25025116 [2,0,0,0,0,0|2,0,0]=4 1399 B7R0.3 CCC(N)CCC=O Amb33036216 [2,0,0,0,0,0|1,0,1]=4 1400 B7R0.3 CCCCC(N)C=O Amb28422291 [2,0,0,0,0,0|1,0,1]=4 1401 B7R0.3 COCCC(N)C=O Amb28397866 [2,0,0,0,0,0|2,0,0]=4 1402 B7R0.3 NCCCC(N)CO Amb27665423 [2,0,0,0,0,0|0,0,2]=4 1403 B7R0.3 NCCC[C@H](N)C=O Amb27838296 [2,0,0,0,0,0|0,0,1]=3 1404 B7R0.3 NOCC[C@H](N)CO Amb27430113 [2,0,0,0,0,0|1,0,1]=4 1405 B7R0.3 O=CCCC(Cl)C=O Amb27232955 [2,0,0,0,0,0|1,0,0]=3 1406 B7R0.4 C#CCCCC(=O)O Amb2721705 [2,0,0,0,0,0|1,0,1]=4 1407 B7R0.4 C#CCCCC(N)=O Amb27590599 [2,0,0,0,0,0|1,0,1]=4 1408 B7R0.4 C=C(Cl)CCCC=O Amb27751311 [2,0,0,0,0,0|2,0,0]=4 1409 B7R0.4 C=CCCCC(=O)Cl Amb8392411 [2,0,0,0,0,0|2,0,0]=4 1410 B7R0.4 C=CCCCC(=O)O Amb3941675 [2,0,0,0,0,0|1,0,0]=3 1411 B7R0.4 C=CCCCC(C)=O Amb17593171 [2,0,0,0,0,0|2,0,0]=4 1412 B7R0.4 C=CCCNC(N)=O Amb25789999 [2,0,0,0,0,0|2,0,0]=4 1413 B7R0.4 C=CCNCC(=O)O Amb7766404 [2,0,0,0,0,0|2,0,0]=4 1414 B7R0.4 C=CCNCC(=O)O Amb8631497 [2,0,0,0,0,0|2,0,0]=4 1415 B7R0.4 C=CCNCC(N)=O Amb6706481 [2,0,0,0,0,0|2,0,0]=4 1416 B7R0.4 C=CCOCC(=O)O Amb9208694 [2,0,0,0,0,0|2,0,0]=4 1417 B7R0.4 C=CCOCC(N)=O Amb26859258 [2,0,0,0,0,0|2,0,0]=4 1418 B7R0.4 C=CCSCC(=O)O Amb33526723 [2,0,0,0,0,0|2,0,0]=4 1419 B7R0.4 C=CNCCC(=O)O Amb27429817 [2,0,0,0,0,0|2,0,0]=4 1420 B7R0.4 C=COCCC(=O)O Amb28350126 [2,0,0,0,0,0|2,0,0]=4 1421 B7R0.4 CC(=O)CCCCN Amb27401218 [2,0,0,0,0,0|1,0,1]=4 1422 B7R0.4 CC(=O)CCCCO Amb10603864 [2,0,0,0,0,0|1,0,1]=4 1423 B7R0.4 CC(=O)NCCC=O Amb17102165 [2,0,0,0,0,0|2,0,0]=4 1424 B7R0.4 CC(=O)SCCC=O Amb25101351 [2,0,0,0,0,0|2,0,0]=4 1425 B7R0.4 CC(O)CCCC=O Amb18641887 [2,0,0,0,0,0|1,0,1]=4 1426 B7R0.4 CCCCCC(=O)O Amb3939846 [2,0,0,0,0,0|1,0,1]=4 1427 B7R0.4 CNCCCC(=O)O Amb1153115 [2,0,0,0,0,0|2,0,0]=4 1428 B7R0.4 CNCCCC(=O)O Amb4521435 [2,0,0,0,0,0|2,0,0]=4 1429 B7R0.4 CNCCCC(N)=O Amb18303611 [2,0,0,0,0,0|2,0,0]=4 1430 B7R0.4 CNCCCC(N)=O Amb31307731 [2,0,0,0,0,0|2,0,0]=4 1431 B7R0.4 COCCCC(=O)O Amb6275629 [2,0,0,0,0,0|2,0,0]=4 1432 B7R0.4 CSCCCC(=O)O Amb17503622 [2,0,0,0,0,0|2,0,0]=4 1433 B7R0.4 C\C=C\CCC(=O)O Amb34910859 [2,0,0,0,0,0|1,0,1]=4 1434 B7R0.4 N#CCCCC(=O)O Amb33542831 [2,0,0,0,0,0|0,0,2]=4 1435 B7R0.4 NC(=O)CCCCBr Amb27875083 [2,0,0,0,0,0|1,0,1]=4 1436 B7R0.4 NC(=O)CCCCCl Amb7782532 [2,0,0,0,0,0|1,0,1]=4 1437 B7R0.4 NC(=O)CCCCO Amb3939470 [2,0,0,0,0,0|0,0,1]=3 1438 B7R0.4 NC(=O)CCCCS Amb27839239 [2,0,0,0,0,0|0,1,1]=4 1439 B7R0.4 NC(=O)CC\C=C\Cl Amb25173831 [2,0,0,0,0,0|1,0,1]=4 1440 B7R0.4 NC(=O)CNCCO Amb6714605 [2,0,0,0,0,0|1,0,1]=4 1441 B7R0.4 NC(=O)CSCCO Amb6754148 [2,0,0,0,0,0|1,0,1]=4 1442 B7R0.4 NC(=O)NCCCO Amb9248133 [2,0,0,0,0,0|1,0,1]=4 1443 B7R0.4 NC(=O)NCCN=O Amb27796959 [2,0,0,0,0,0|2,0,0]=4 1444 B7R0.4 NC(=S)CCNC=O Amb27395809 [2,0,0,0,0,0|1,1,0]=4 1445 B7R0.4 NC(=S)SCCC=O Amb27839069 [2,0,0,0,0,0|1,1,0]=4 1446 B7R0.4 NCCCCC(=O)Cl Amb26599615 [2,0,0,0,0,0|1,0,1]=4 1447 B7R0.4 NCCCCC(=O)O Amb2780021 [2,0,0,0,0,0|0,0,1]=3 1448 B7R0.4 NCCCCC(=O)O Amb3941646 [2,0,0,0,0,0|0,0,1]=3 1449 B7R0.4 NCCCCC(=O)O Amb9825855 [2,0,0,0,0,0|0,0,1]=3 1450 B7R0.4 NCCCCC(N)=O Amb18641897 [2,0,0,0,0,0|1,0,1]=4 1451 B7R0.4 NCCCCC(N)=O Amb33552086 [2,0,0,0,0,0|1,0,1]=4 1452 B7R0.4 NCCCCS(=O)O Amb27882127 [2,0,0,0,0,0|1,0,1]=4 1453 B7R0.4 NCCCNC(=O)O Amb24093884 [2,0,0,0,0,0|1,0,1]=4 1454 B7R0.4 NCCNCC(=O)O Amb17608063 [2,0,0,0,0,0|1,0,1]=4 1455 B7R0.4 NCCNCC(=O)O Amb33339058 [2,0,0,0,0,0|1,0,1]=4 1456 B7R0.4 NCCOCC(=O)O Amb18630146 [2,0,0,0,0,0|1,0,1]=4 1457 B7R0.4 NCCOCC(=O)O Amb33550947 [2,0,0,0,0,0|1,0,1]=4 1458 B7R0.4 NCCSCC(=O)O Amb17500446 [2,0,0,0,0,0|1,0,1]=4 1459 B7R0.4 NCCSCC(=O)O Amb20622325 [2,0,0,0,0,0|1,0,1]=4 1460 B7R0.4 NOCCCC(=O)O Amb10975956 [2,0,0,0,0,0|1,0,0]=3 1461 B7R0.4 NOCCCC(=O)O Amb22011795 [2,0,0,0,0,0|1,0,0]=3 1462 B7R0.4 NOCCCC(=O)O Amb31283653 [2,0,0,0,0,0|1,0,0]=3 1463 B7R0.4 O=C(O)CCCCBr Amb6608763 [2,0,0,0,0,0|1,0,1]=4 1464 B7R0.4 O=C(O)CCCCCl Amb3940369 [2,0,0,0,0,0|1,0,1]=4 1465 B7R0.4 O=C(O)CCCCF Amb26639920 [2,0,0,0,0,0|1,0,1]=4 1466 B7R0.4 O=C(O)CCCCO Amb9214971 [2,0,0,0,0,0|0,0,2]=4 1467 B7R0.4 O=C(O)CCCCS Amb17503767 [2,0,0,0,0,0|0,1,1]=4 1468 B7R0.4 O=C(O)CCCNCl Amb27173950 [2,0,0,0,0,0|2,0,0]=4 1469 B7R0.4 O=C(O)CC\C=C\Br Amb25238247 [2,0,0,0,0,0|1,0,1]=4 1470 B7R0.4 O=C([O-])CCCCO Amb13952763 [2,0,0,0,0,0|1,0,1]=4 1471 B7R0.4 O=C([O-])CCCCO Amb22749314 [2,0,0,0,0,0|1,0,1]=4 1472 B7R0.4 O=C=NCCC(=O)O Amb26053417 [2,0,0,0,0,0|1,0,1]=4 1473 B7R0.4 O=CCCCC(=O)O Amb17593198 [2,0,0,0,0,0|0,0,0]=2 1474 B7R0.4 O=CCCCC(O)O Amb25889261 [2,0,0,0,0,0|0,0,2]=4 1475 B7R0.4 O=CNCCC(=O)O Amb18290434 [2,0,0,0,0,0|1,0,0]=3 1476 B7R0.4 O=CNOCC(=O)O Amb27477273 [2,0,0,0,0,0|2,0,0]=4 1477 B7R0.4 O=NSCCC(=O)O Amb28429846 [2,0,0,0,0,0|2,0,0]=4 1478 B7R0.5 C#CCC(N)C(=O)O Amb19944472 [2,0,0,0,0,0|0,0,2]=4 1479 B7R0.5 C#CCC(N)C(=O)O Amb9721758 [2,0,0,0,0,0|0,0,2]=4 1480 B7R0.5 C#CC[C@@H](N)C(=O)O Amb16183954 [2,0,0,0,0,0|0,0,2]=4 1481 B7R0.5 C#CC[C@@H](N)C(=O)O Amb22748688 [2,0,0,0,0,0|0,0,2]=4 1482 B7R0.5 C#CC[C@H](N)C(=O)O Amb8396606 [2,0,0,0,0,0|0,0,2]=4 1483 B7R0.5 C=C(CCN)C(=O)O Amb27267272 [2,0,0,0,0,0|1,0,1]=4 1484 B7R0.5 C=CCC(C)C(=O)O Amb33545044 [2,0,0,0,0,0|1,0,1]=4 1485 B7R0.5 C=CCC(Cl)C(=O)O Amb25056173 [2,0,0,0,0,0|1,0,1]=4 1486 B7R0.5 C=CCC(F)C(=O)O Amb28071391 [2,0,0,0,0,0|1,0,1]=4 1487 B7R0.5 C=CCC(N)C(=O)Cl Amb27413912 [2,0,0,0,0,0|1,0,1]=4 1488 B7R0.5 C=CCC(N)C(=O)O Amb21856826 [2,0,0,0,0,0|0,0,1]=3 1489 B7R0.5 C=CCC(N)C(=O)O Amb9729145 [2,0,0,0,0,0|0,0,1]=3 1490 B7R0.5 C=CCC(N)C(C)=O Amb27194092 [2,0,0,0,0,0|1,0,1]=4 1491 B7R0.5 C=CCC(N)C(N)=O Amb26585896 [2,0,0,0,0,0|1,0,1]=4 1492 B7R0.5 C=CC[C@@H](N)C(=O)O Amb22745310 [2,0,0,0,0,0|0,0,1]=3 1493 B7R0.5 C=CC[C@@H](N)C(=O)O Amb8389451 [2,0,0,0,0,0|0,0,1]=3 1494 B7R0.5 C=CC[C@@H](N)C(N)=O Amb27838370 [2,0,0,0,0,0|1,0,1]=4 1495 B7R0.5 C=CC[C@H](N)C(=O)Cl Amb28120452 [2,0,0,0,0,0|1,0,1]=4 1496 B7R0.5 C=CC[C@H](N)C(=O)O Amb10982568 [2,0,0,0,0,0|0,0,1]=3 1497 B7R0.5 C=CC[C@H](N)C(=O)O Amb2699115 [2,0,0,0,0,0|0,0,1]=3 1498 B7R0.5 CC(=O)C(Cl)CC=O Amb18642970 [2,0,0,0,0,0|2,0,0]=4 1499 B7R0.5 CC(=O)C(N)CCO Amb25087112 [2,0,0,0,0,0|1,0,1]=4 1500 B7R0.5 CC(=O)[C@@H](N)CCO Amb28410323 [2,0,0,0,0,0|1,0,1]=4 1501 B7R0.5 CC(=O)[C@H](O)CC=O Amb27446551 [2,0,0,0,0,0|2,0,0]=4 1502 B7R0.5 CC(CC=O)C(=O)O Amb27952476 [2,0,0,0,0,0|1,0,0]=3 1503 B7R0.5 CC(CCBr)C(=O)O Amb27409152 [2,0,0,0,0,0|2,0,0]=4 1504 B7R0.5 CC(CCF)C(=O)O Amb24678386 [2,0,0,0,0,0|2,0,0]=4 1505 B7R0.5 CC(CCN)C(=O)O Amb20667970 [2,0,0,0,0,0|1,0,0]=3 1506 B7R0.5 CC(CCN)C(=O)O Amb538221 [2,0,0,0,0,0|1,0,0]=3 1507 B7R0.5 CC(CCO)C(=O)O Amb18641949 [2,0,0,0,0,0|1,0,1]=4 1508 B7R0.5 CC(NC=O)C(=O)O Amb1144629 [2,0,0,0,0,0|2,0,0]=4 1509 B7R0.5 CC(OC=O)C(=O)O Amb27872094 [2,0,0,0,0,0|2,0,0]=4 1510 B7R0.5 CCCC(Br)C(=O)O Amb2795765 [2,0,0,0,0,0|1,0,1]=4 1511 B7R0.5 CCCC(C)C(=O)O Amb3938958 [2,0,0,0,0,0|1,0,1]=4 1512 B7R0.5 CCCC(Cl)C(=O)O Amb17593470 [2,0,0,0,0,0|1,0,1]=4 1513 B7R0.5 CCCC(F)C(=O)O Amb25842008 [2,0,0,0,0,0|1,0,1]=4 1514 B7R0.5 CCCC(N)C(=O)O Amb6262055 [2,0,0,0,0,0|0,0,1]=3 1515 B7R0.5 CCCC(N)C(C)=O Amb27838289 [2,0,0,0,0,0|1,0,1]=4 1516 B7R0.5 CCCC(N)C(N)=O Amb22284825 [2,0,0,0,0,0|1,0,1]=4 1517 B7R0.5 CCCC(N)C(N)=O Amb9514970 [2,0,0,0,0,0|1,0,1]=4 1518 B7R0.5 CCCC(O)C(=O)O Amb2818222 [2,0,0,0,0,0|1,0,1]=4 1519 B7R0.5 CCCC(S)C(=O)O Amb18124440 [2,0,0,0,0,0|1,0,1]=4 1520 B7R0.5 CCC[C@@H](C)C(=O)O Amb10844028 [2,0,0,0,0,0|1,0,1]=4 1521 B7R0.5 CCC[C@@H](Cl)C(=O)O Amb27266071 [2,0,0,0,0,0|1,0,1]=4 1522 B7R0.5 CCC[C@@H](N)C(=O)O Amb8514700 [2,0,0,0,0,0|0,0,1]=3 1523 B7R0.5 CCC[C@@H](N)C(C)=O Amb35659946 [2,0,0,0,0,0|1,0,1]=4 1524 B7R0.5 CCC[C@@H](N)C(N)=O Amb22745048 [2,0,0,0,0,0|1,0,1]=4 1525 B7R0.5 CCC[C@@H](N)C(N)=O Amb24505187 [2,0,0,0,0,0|1,0,1]=4 1526 B7R0.5 CCC[C@@H](O)C(=O)O Amb22746731 [2,0,0,0,0,0|1,0,1]=4 1527 B7R0.5 CCC[C@H](Br)C(=O)O Amb26515784 [2,0,0,0,0,0|1,0,1]=4 1528 B7R0.5 CCC[C@H](C)C(=O)O Amb10844037 [2,0,0,0,0,0|1,0,1]=4 1529 B7R0.5 CCC[C@H](Cl)C(=O)O Amb27801931 [2,0,0,0,0,0|1,0,1]=4 1530 B7R0.5 CCC[C@H](N)C(=O)O Amb30647420 [2,0,0,0,0,0|0,0,1]=3 1531 B7R0.5 CCC[C@H](N)C(=O)O Amb8514701 [2,0,0,0,0,0|0,0,1]=3 1532 B7R0.5 CCC[C@H](N)C(C)=O Amb35662324 [2,0,0,0,0,0|1,0,1]=4 1533 B7R0.5 CCC[C@H](N)C(N)=O Amb26916392 [2,0,0,0,0,0|1,0,1]=4 1534 B7R0.5 CCC[C@H](N)C(N)=O Amb33813498 [2,0,0,0,0,0|1,0,1]=4 1535 B7R0.5 CCC[C@H](O)C(=O)O Amb22226514 [2,0,0,0,0,0|1,0,1]=4 1536 B7R0.5 CCC[C@H](S)C(=O)O Amb28045752 [2,0,0,0,0,0|1,0,1]=4 1537 B7R0.5 CNCC(N)C(=O)O Amb10845350 [2,0,0,0,0,0|1,0,1]=4 1538 B7R0.5 CNC[C@H](N)C(=O)O Amb17617148 [2,0,0,0,0,0|1,0,1]=4 1539 B7R0.5 CNC[C@H](N)C(=O)O Amb19892230 [2,0,0,0,0,0|1,0,1]=4 1540 B7R0.5 COCC(N)C(=O)O Amb33551350 [2,0,0,0,0,0|1,0,1]=4 1541 B7R0.5 COCC(N)C(=O)O Amb6752055 [2,0,0,0,0,0|1,0,1]=4 1542 B7R0.5 COC[C@@H](N)C(=O)O Amb10604051 [2,0,0,0,0,0|1,0,1]=4 1543 B7R0.5 COC[C@@H](N)C(=O)O Amb22744762 [2,0,0,0,0,0|1,0,1]=4 1544 B7R0.5 COC[C@H](N)C(=O)O Amb33801358 [2,0,0,0,0,0|1,0,1]=4 1545 B7R0.5 COC[C@H](N)C(=O)O Amb8515080 [2,0,0,0,0,0|1,0,1]=4 1546 B7R0.5 CSCC(N)C(=O)O Amb33804791 [2,0,0,0,0,0|1,0,1]=4 1547 B7R0.5 CSCC(N)C(=O)O Amb6280829 [2,0,0,0,0,0|1,0,1]=4 1548 B7R0.5 CSC[C@@H](N)C(=O)O Amb9813743 [2,0,0,0,0,0|1,0,1]=4 1549 B7R0.5 CSC[C@H](N)C(=O)O Amb6364886 [2,0,0,0,0,0|1,0,1]=4 1550 B7R0.5 C[C@@H](CCF)C(=O)O Amb33744644 [2,0,0,0,0,0|2,0,0]=4 1551 B7R0.5 C[C@@H](CCN)C(=O)O Amb10844043 [2,0,0,0,0,0|1,0,0]=3 1552 B7R0.5 C[C@H](CCF)C(=O)O Amb33738115 [2,0,0,0,0,0|2,0,0]=4 1553 B7R0.5 C[C@H](NC=O)C(=O)O Amb28323701 [2,0,0,0,0,0|2,0,0]=4 1554 B7R0.5 C[Se]C[C@@H](N)C(=O)O Amb22745692 [2,0,0,0,0,0|1,0,1]=4 1555 B7R0.5 C[Se]C[C@H](N)C(=O)O Amb10601626 [2,0,0,0,0,0|1,0,1]=4 1556 B7R0.5 C\C=C\[C@@H](N)C(=O)O Amb27948524 [2,0,0,0,0,0|1,0,1]=4 1557 B7R0.5 N#CCC(N)C(=O)O Amb18641766 [2,0,0,0,0,0|0,0,2]=4 1558 B7R0.5 N#CC[C@@H](N)C(=O)O Amb26397494 [2,0,0,0,0,0|0,0,2]=4 1559 B7R0.5 N#CC[C@H](N)C(=O)O Amb16183916 [2,0,0,0,0,0|0,0,2]=4 1560 B7R0.5 NC(=O)C(N)CCF Amb24391278 [2,0,0,0,0,0|2,0,0]=4 1561 B7R0.5 NC(=O)C(N)CCO Amb24481392 [2,0,0,0,0,0|1,0,1]=4 1562 B7R0.5 NC(CCBr)C(=O)O Amb21858417 [2,0,0,0,0,0|1,0,0]=3 1563 B7R0.5 NC(CCCl)C(=O)O Amb28241385 [2,0,0,0,0,0|1,0,0]=3 1564 B7R0.5 NC(CCF)C(=O)O Amb25889337 [2,0,0,0,0,0|1,0,0]=3 1565 B7R0.5 NC(CCF)C(=O)O Amb28934889 [2,0,0,0,0,0|1,0,0]=3 1566 B7R0.5 NC(CCO)C(=O)O Amb8514287 [2,0,0,0,0,0|0,0,1]=3 1567 B7R0.5 NC(CCS)C(=O)O Amb19267093 [2,0,0,0,0,0|0,1,0]=3 1568 B7R0.5 NC(CCS)C(=O)O Amb3499433 [2,0,0,0,0,0|0,1,0]=3 1569 B7R0.5 NC(CCS)[PH](=O)O Amb27409002 [2,0,0,0,0,0|1,1,0]=4 1570 B7R0.5 NC(CNO)C(=O)O Amb4092732 [2,0,0,0,0,0|1,0,1]=4 1571 B7R0.5 NC(CO[SiH3])C(=O)O Amb27461306 [2,0,0,0,0,0|1,1,0]=4 1572 B7R0.5 NC(\C=C\F)C(=O)O Amb27666430 [2,0,0,0,0,0|1,0,1]=4 1573 B7R0.5 NCCC(Br)C(=O)O Amb28128317 [2,0,0,0,0,0|1,0,0]=3 1574 B7R0.5 NCCC(F)C(=O)O Amb10838221 [2,0,0,0,0,0|1,0,0]=3 1575 B7R0.5 NCCC(F)C(=O)O Amb22229524 [2,0,0,0,0,0|1,0,0]=3 1576 B7R0.5 NCCC(F)[PH](=O)O Amb27639139 [2,0,0,0,0,0|2,0,0]=4 1577 B7R0.5 NCCC(N)C(=O)O Amb2697841 [2,0,0,0,0,0|0,0,0]=2 1578 B7R0.5 NCCC(N)C(=O)O Amb8514694 [2,0,0,0,0,0|0,0,0]=2 1579 B7R0.5 NCCC(O)C(=O)O Amb16232090 [2,0,0,0,0,0|1,0,0]=3 1580 B7R0.5 NCCC(O)C(N)=O Amb28121985 [2,0,0,0,0,0|2,0,0]=4 1581 B7R0.5 NCC[C@@H](F)C(=O)O Amb24055858 [2,0,0,0,0,0|1,0,0]=3 1582 B7R0.5 NCC[C@@H](N)C(=O)O Amb16183852 [2,0,0,0,0,0|0,0,0]=2 1583 B7R0.5 NCC[C@@H](N)C(=O)O Amb23438994 [2,0,0,0,0,0|0,0,0]=2 1584 B7R0.5 NCC[C@@H](N)C(=O)O Amb8390364 [2,0,0,0,0,0|0,0,0]=2 1585 B7R0.5 NCC[C@@H](N)C(N)=O Amb31031077 [2,0,0,0,0,0|1,0,0]=3 1586 B7R0.5 NCC[C@@H](O)C(=O)O Amb22748225 [2,0,0,0,0,0|1,0,0]=3 1587 B7R0.5 NCC[C@H](F)C(=O)O Amb24055857 [2,0,0,0,0,0|1,0,0]=3 1588 B7R0.5 NCC[C@H](N)C(=O)O Amb16183862 [2,0,0,0,0,0|0,0,0]=2 1589 B7R0.5 NCC[C@H](N)C(=O)O Amb2720151 [2,0,0,0,0,0|0,0,0]=2 1590 B7R0.5 NCC[C@H](N)C(=O)O Amb33812683 [2,0,0,0,0,0|0,0,0]=2 1591 B7R0.5 NCC[C@H](N)C(=O)O Amb9825390 [2,0,0,0,0,0|0,0,0]=2 1592 B7R0.5 NCC[C@H](O)C(=O)O Amb8386099 [2,0,0,0,0,0|1,0,0]=3 1593 B7R0.5 NCC[C@H](O)C(N)=O Amb27390493 [2,0,0,0,0,0|2,0,0]=4 1594 B7R0.5 NOCC(N)C(=O)O Amb24184086 [2,0,0,0,0,0|1,0,0]=3 1595 B7R0.5 N[C@@H](CCBr)C(=O)O Amb8515827 [2,0,0,0,0,0|1,0,0]=3 1596 B7R0.5 N[C@@H](CCF)C(=O)O Amb26458628 [2,0,0,0,0,0|1,0,0]=3 1597 B7R0.5 N[C@@H](CCO)C(=O)O Amb20242705 [2,0,0,0,0,0|0,0,1]=3 1598 B7R0.5 N[C@@H](CCO)C(=O)O Amb6600040 [2,0,0,0,0,0|0,0,1]=3 1599 B7R0.5 N[C@@H](CCS)C(=O)O Amb6600039 [2,0,0,0,0,0|0,1,0]=3 1600 B7R0.5 N[C@@H](OCS)C(=O)O Amb27591629 [2,0,0,0,0,0|1,1,0]=4 1601 B7R0.5 N[C@@H](\C=C/F)C(=O)O Amb27447269 [2,0,0,0,0,0|1,0,1]=4 1602 B7R0.5 N[C@H](CC=O)C(=O)O Amb27839576 [2,0,0,0,0,0|0,0,0]=2 1603 B7R0.5 N[C@H](CCF)C(=O)O Amb27206623 [2,0,0,0,0,0|1,0,0]=3 1604 B7R0.5 N[C@H](CCI)C(=O)O Amb27600675 [2,0,0,0,0,0|1,0,0]=3 1605 B7R0.5 N[C@H](CCO)C(=O)O Amb4166299 [2,0,0,0,0,0|0,0,1]=3 1606 B7R0.5 N[C@H](C[SH]=O)C(=O)O Amb27596028 [2,0,0,0,0,0|1,0,0]=3 1607 B7R0.5 O=C(O)C(Br)CCBr Amb19889695 [2,0,0,0,0,0|2,0,0]=4 1608 B7R0.5 O=C(O)C(Br)CCO Amb28325416 [2,0,0,0,0,0|1,0,1]=4 1609 B7R0.5 O=C(O)C(Cl)CCCl Amb18126030 [2,0,0,0,0,0|2,0,0]=4 1610 B7R0.5 O=C(O)C(O)CCCl Amb27644540 [2,0,0,0,0,0|2,0,0]=4 1611 B7R0.5 O=C(O)C(O)CCF Amb28071189 [2,0,0,0,0,0|2,0,0]=4 1612 B7R0.5 O=C(O)C(O)CCO Amb24689942 [2,0,0,0,0,0|1,0,1]=4 1613 B7R0.5 O=C(O)C(S)CCS Amb27634893 [2,0,0,0,0,0|1,1,0]=4 1614 B7R0.5 O=C(O)[C@@H](O)CCBr Amb27238673 [2,0,0,0,0,0|2,0,0]=4 1615 B7R0.5 O=CCC(=O)C(=O)O Amb26326260 [2,0,0,0,0,0|1,0,1]=4 1616 B7R0.6 C=C(C)CCC(N)=O Amb27838318 [2,0,0,0,0,0|1,0,1]=4 1617 B7R0.6 C=C(N)CCC(=O)O Amb27629351 [2,0,0,0,0,0|1,0,1]=4 1618 B7R0.6 CC(=O)CCC(C)O Amb25829594 [2,0,0,0,0,0|2,0,0]=4 1619 B7R0.6 CC(=O)CCC(N)=O Amb17142854 [2,0,0,0,0,0|1,0,1]=4 1620 B7R0.6 CC(=O)CC[C@@H](C)O Amb22351150 [2,0,0,0,0,0|2,0,0]=4 1621 B7R0.6 CC(C)CCC(N)=O Amb8997711 [2,0,0,0,0,0|1,0,1]=4 1622 B7R0.6 CC(N)CCC(=O)O Amb17593212 [2,0,0,0,0,0|1,0,1]=4 1623 B7R0.6 CC(N)CCC(=O)O Amb19515603 [2,0,0,0,0,0|1,0,1]=4 1624 B7R0.6 CC(N)CNC(N)=O Amb18202688 [2,0,0,0,0,0|1,0,1]=4 1625 B7R0.6 CC(N)COC(N)=O Amb29849466 [2,0,0,0,0,0|1,0,1]=4 1626 B7R0.6 CC(O)CCC(=N)N Amb29849256 [2,0,0,0,0,0|2,0,0]=4 1627 B7R0.6 CC(O)CCC(=O)O Amb18294804 [2,0,0,0,0,0|2,0,0]=4 1628 B7R0.6 CC(O)CCC(=O)[O-] Amb32729478 [2,0,0,0,0,0|2,0,0]=4 1629 B7R0.6 CC(O)CCC(N)=S Amb28078352 [2,0,0,0,0,0|1,1,0]=4 1630 B7R0.6 CC(O)COC(N)=O Amb26359577 [2,0,0,0,0,0|2,0,0]=4 1631 B7R0.6 CC(S)CCC(N)=O Amb28399630 [2,0,0,0,0,0|1,0,1]=4 1632 B7R0.6 CN(O)CCC(N)=O Amb27390605 [2,0,0,0,0,0|2,0,0]=4 1633 B7R0.6 C[C@@H](N)CCC(=O)O Amb25960628 [2,0,0,0,0,0|1,0,1]=4 1634 B7R0.6 C[C@@H](N)CCC(=O)O Amb35753110 [2,0,0,0,0,0|1,0,1]=4 1635 B7R0.6 C[C@@H](O)CNC(N)=O Amb28315793 [2,0,0,0,0,0|2,0,0]=4 1636 B7R0.6 C[C@H](N)CCC(=O)O Amb25047328 [2,0,0,0,0,0|1,0,1]=4 1637 B7R0.6 C[C@H](N)CCC(=O)O Amb35752545 [2,0,0,0,0,0|1,0,1]=4 1638 B7R0.6 C[C@H](O)CCC(=O)O Amb27656596 [2,0,0,0,0,0|2,0,0]=4 1639 B7R0.6 N=C(N)CCC(N)=O Amb25680023 [2,0,0,0,0,0|1,0,1]=4 1640 B7R0.6 NC(=O)CCC(=O)Cl Amb28240580 [2,0,0,0,0,0|1,0,1]=4 1641 B7R0.6 NC(=O)CCC(=O)O Amb2967294 [2,0,0,0,0,0|1,0,1]=4 1642 B7R0.6 NC(=O)CCC(Cl)Cl Amb32671996 [2,0,0,0,0,0|2,0,0]=4 1643 B7R0.6 NC(=O)CCC(N)=O Amb1353209 [2,0,0,0,0,0|0,0,1]=3 1644 B7R0.6 NC(=O)CCC(O)O Amb27254204 [2,0,0,0,0,0|1,0,0]=3 1645 B9R0.6 C=CCC(C)C(C)C(=O)O Amb18643938 [1,1,0,0,0,0|2,0,0]=4 1646 B9R0.6 C=CCC(C)C(N)C(=O)O Amb26381874 [1,1,0,0,0,0|1,0,0]=3 1647 B9R0.6 C=CCC(C)C(N)C(N)=O Amb33066012 [1,1,0,0,0,0|2,0,0]=4 1648 B9R0.6 C=CCC(C)[C@@H](N)C(=O)O Amb33037030 [1,1,0,0,0,0|1,0,0]=3 1649 B9R0.6 C=CCC(C)[C@H](N)C(=O)O Amb32865926 [1,1,0,0,0,0|1,0,0]=3 1650 B9R0.6 CC(=O)C(C)C(C)CC=O Amb27827459 [1,1,0,0,0,0|2,0,0]=4 1651 B9R0.6 CC(=O)C(O)C(O)CC=O Amb28050017 [1,1,0,0,0,0|2,0,0]=4 1652 B9R0.6 CC(CC#N)C(N)C(=O)O Amb33066130 [1,1,0,0,0,0|0,0,2]=4 1653 B9R0.6 CC(CC#N)[C@@H](N)C(=O)O Amb33308829 [1,1,0,0,0,0|0,0,2]=4 1654 B9R0.6 CC(CC#N)[C@H](N)C(=O)O Amb32865927 [1,1,0,0,0,0|0,0,2]=4 1655 B9R0.6 CC(CC=O)C(C)C(=O)O Amb18644133 [1,1,0,0,0,0|1,0,0]=3 1656 B9R0.6 CC(OC=O)C(N)C(=O)O Amb27456598 [1,1,0,0,0,0|1,0,0]=3 1657 B9R0.6 CCCC(C)C(N)C(=O)O Amb20622789 [1,1,0,0,0,0|1,0,1]=4 1658 B9R0.6 CCCC(C)[C@@H](N)C(=O)O Amb26624121 [1,1,0,0,0,0|1,0,1]=4 1659 B9R0.6 CCCC(C)[C@H](N)C(=O)O Amb26512364 [1,1,0,0,0,0|1,0,1]=4 1660 B9R0.6 CCCC(F)C(N)C(=O)O Amb10839857 [1,1,0,0,0,0|1,0,1]=4 1661 B9R0.6 CCCC(O)C(N)C(=O)O Amb18124815 [1,1,0,0,0,0|1,0,1]=4 1662 B9R0.6 CCCC(O)[C@H](N)C(=O)O Amb26635079 [1,1,0,0,0,0|1,0,1]=4 1663 B9R0.6 CCCC(S)C(N)C(=O)O Amb27860699 [1,1,0,0,0,0|1,0,1]=4 1664 B9R0.6 CCCC(S)[C@@H](N)C(=O)O Amb27759942 [1,1,0,0,0,0|1,0,1]=4 1665 B9R0.6 CCC[C@@H](O)[C@@H](N)C(=O)O Amb25367288 [1,1,0,0,0,0|1,0,1]=4 1666 B9R0.6 CCC[C@@H](O)[C@H](N)C(=O)O Amb24715802 [1,1,0,0,0,0|1,0,1]=4 1667 B9R0.6 CCC[C@H](C)[C@@H](N)C(=O)O Amb27801051 [1,1,0,0,0,0|1,0,1]=4 1668 B9R0.6 CCC[C@H](C)[C@H](N)C(=O)O Amb29838293 [1,1,0,0,0,0|1,0,1]=4 1669 B9R0.6 CCC[C@H](O)[C@@H](N)C(=O)O Amb26415873 [1,1,0,0,0,0|1,0,1]=4 1670 B9R0.6 CCC[C@H](O)[C@H](N)C(=O)O Amb25113866 [1,1,0,0,0,0|1,0,1]=4 1671 B9R0.6 COCC(C)C(N)C(=O)O Amb24116980 [1,1,0,0,0,0|2,0,0]=4 1672 B9R0.6 COCC(C)[C@@H](N)C(=O)O Amb26467489 [1,1,0,0,0,0|2,0,0]=4 1673 B9R0.6 COCC(C)[C@H](N)C(=O)O Amb25729786 [1,1,0,0,0,0|2,0,0]=4 1674 B9R0.6 COCC(O)C(N)C(=O)O Amb25147551 [1,1,0,0,0,0|2,0,0]=4 1675 B9R0.6 CSCC(C)C(N)C(=O)O Amb27161222 [1,1,0,0,0,0|2,0,0]=4 1676 B9R0.6 CSCC(C)[C@H](N)C(=O)O Amb28137881 [1,1,0,0,0,0|2,0,0]=4 1677 B9R0.6 CSCC(O)C(N)C(=O)O Amb18646340 [1,1,0,0,0,0|2,0,0]=4 1678 B9R0.6 CSC[C@@H](C)C(N)C(=O)O Amb27629392 [1,1,0,0,0,0|2,0,0]=4 1679 B9R0.6 CSC[C@H](O)[C@@H](N)C(=O)O Amb28320767 [1,1,0,0,0,0|2,0,0]=4 1680 B9R0.6 C[C@@H](CCCl)[C@H](N)C(=O)O Amb28203940 [1,1,0,0,0,0|1,0,1]=4 1681 B9R0.6 C[C@@H](OC=O)[C@H](N)C(=O)O Amb27972267 [1,1,0,0,0,0|1,0,0]=3 1682 B9R0.6 C[C@H](C(=O)O)[C@@H](C)OC=O Amb27391147 [1,1,0,0,0,0|2,0,0]=4 1683 B9R0.6 C[C@H](OC=O)[C@H](C)C(=O)O Amb27620887 [1,1,0,0,0,0|2,0,0]=4 1684 B9R0.6 NC(C(=O)O)C(O)CCF Amb33196437 [1,1,0,0,0,0|1,0,1]=4 1685 B9R0.6 NCCC(F)C(N)C(=O)O Amb28204060 [1,1,0,0,0,0|0,0,1]=3 1686 B9R0.6 NCCC(N)C(N)C(=O)O Amb27759858 [1,1,0,0,0,0|0,0,1]=3 1687 B9R0.6 NCC[C@@H](F)[C@H](N)C(=O)O Amb27818085 [1,1,0,0,0,0|0,0,1]=3 1688 B9R0.6 NCC[C@@H](O)[C@H](N)C(=O)O Amb27800764 [1,1,0,0,0,0|0,0,1]=3 1689 B9R0.6 NCC[C@H](O)[C@H](N)C(=O)O Amb27263062 [1,1,0,0,0,0|0,0,1]=3 1690 B9R0.8 C#CCCC(N)C(=O)OC Amb28135954 [1,1,0,0,0,0|1,0,1]=4 1691 B9R0.8 C#CCC[C@H](N)C(=O)OC Amb27640594 [1,1,0,0,0,0|1,0,1]=4 1692 B9R0.8 C=C(CCC=O)C(=O)OC Amb28368319 [1,1,0,0,0,0|1,0,1]=4 1693 B9R0.8 C=CCCC(N)C(=O)OC Amb27866671 [1,1,0,0,0,0|1,0,0]=3 1694 B9R0.8 C=CCCC(N)C(=O)OC Amb32794772 [1,1,0,0,0,0|1,0,0]=3 1695 B9R0.8 C=CCCC(O)C(=O)OC Amb27669786 [1,1,0,0,0,0|2,0,0]=4 1696 B9R0.8 C=CCC[C@@H](N)C(=O)OC Amb27389875 [1,1,0,0,0,0|1,0,0]=3 1697 B9R0.8 C=CCC[C@H](N)C(=O)OC Amb28134398 [1,1,0,0,0,0|1,0,0]=3 1698 B9R0.8 CCCCC(N)C(=O)NO Amb22059372 [1,1,0,0,0,0|1,0,1]=4 1699 B9R0.8 CCCCC(N)C(=O)OC Amb9330294 [1,1,0,0,0,0|1,0,1]=4 1700 B9R0.8 CCCCC(N)C(=O)OC Amb9825492 [1,1,0,0,0,0|1,0,1]=4 1701 B9R0.8 CCCC[C@@H](N)C(=O)OC Amb16183949 [1,1,0,0,0,0|1,0,1]=4 1702 B9R0.8 CCCC[C@@H](N)C(=O)OC Amb22745342 [1,1,0,0,0,0|1,0,1]=4 1703 B9R0.8 CCCC[C@H](N)C(=O)OC Amb22169631 [1,1,0,0,0,0|1,0,1]=4 1704 B9R0.8 CCCC[C@H](N)C(=O)OC Amb26391986 [1,1,0,0,0,0|1,0,1]=4 1705 B9R0.8 CNCCC(N)C(=O)OC Amb32993440 [1,1,0,0,0,0|2,0,0]=4 1706 B9R0.8 COC(=O)C(C)CCCN Amb25904967 [1,1,0,0,0,0|1,0,1]=4 1707 B9R0.8 COC(=O)C(C)CNC=O Amb27636245 [1,1,0,0,0,0|2,0,0]=4 1708 B9R0.8 COC(=O)C(N)CCC#N Amb28076162 [1,1,0,0,0,0|0,0,2]=4 1709 B9R0.8 COC(=O)C(N)CCCF Amb26857313 [1,1,0,0,0,0|1,0,1]=4 1710 B9R0.8 COC(=O)C(N)CCCN Amb9871379 [1,1,0,0,0,0|0,0,1]=3 1711 B9R0.8 COC(=O)C(N)CCCO Amb18644325 [1,1,0,0,0,0|0,0,2]=4 1712 B9R0.8 COC(=O)C(N)CCCS Amb27974600 [1,1,0,0,0,0|0,1,1]=4 1713 B9R0.8 COC(=O)C(N)CCSC Amb1152979 [1,1,0,0,0,0|2,0,0]=4 1714 B9R0.8 COC(=O)C(N)CCSC Amb2720119 [1,1,0,0,0,0|2,0,0]=4 1715 B9R0.8 COC(=O)C(N)CNC=O Amb28077501 [1,1,0,0,0,0|1,0,0]=3 1716 B9R0.8 COC(=O)C(N)C\C=C\Cl Amb33066166 [1,1,0,0,0,0|1,0,1]=4 1717 B9R0.8 COC(=O)[C@@H](N)CCCN Amb16236222 [1,1,0,0,0,0|0,0,1]=3 1718 B9R0.8 COC(=O)[C@@H](N)CCCO Amb27260220 [1,1,0,0,0,0|0,0,2]=4 1719 B9R0.8 COC(=O)[C@@H](N)CCON Amb27856127 [1,1,0,0,0,0|1,0,0]=3 1720 B9R0.8 COC(=O)[C@@H](N)CCSC Amb533934 [1,1,0,0,0,0|2,0,0]=4 1721 B9R0.8 COC(=O)[C@@H](N)CCSC Amb8390413 [1,1,0,0,0,0|2,0,0]=4 1722 B9R0.8 COC(=O)[C@H](N)CCSC Amb3939028 [1,1,0,0,0,0|2,0,0]=4 1723 B9R0.8 COC(=O)[C@H](N)CCSC Amb9826085 [1,1,0,0,0,0|2,0,0]=4 1724 B9R0.8 COCCC(N)C(=O)OC Amb24053179 [1,1,0,0,0,0|2,0,0]=4 1725 B9R0.8 COCCC(N)C(=O)OC Amb28555457 [1,1,0,0,0,0|2,0,0]=4 1726 B9R0.8 COCC[C@H](N)C(=O)OC Amb27880632 [1,1,0,0,0,0|2,0,0]=4 1727 B9R0.8 CSCCC(N)C(=O)NO Amb22349956 [1,1,0,0,0,0|2,0,0]=4 1728 B9R0.8 CSCC[C@@H](N)C(=O)NO Amb27592841 [1,1,0,0,0,0|2,0,0]=4 1729 B9R0.8 CSCC[C@H](N)C(=O)NO Amb26846759 [1,1,0,0,0,0|2,0,0]=4 1730 B9R0.8 CSCC[C@H](N)C(=O)O[Zn+] Amb20241025 [1,1,0,0,0,0|2,0,0]=4 1731 B9R0.8 C\C=C\CC(N)C(=O)OC Amb26348150 [1,1,0,0,0,0|1,0,1]=4 1732 B9R0.8 C\C=C\C[C@@H](N)C(=O)OC Amb27169570 [1,1,0,0,0,0|1,0,1]=4 1733 B9R0.13 C=CCCC(CC)C(=O)O Amb28050061 [1,1,0,0,0,0|2,0,0]=4 1734 B9R0.13 C=CCCC(OC)C(=O)O Amb28388453 [1,1,0,0,0,0|2,0,0]=4 1735 B9R0.13 C=CCC[C@@H](CC)C(=O)O Amb27595843 [1,1,0,0,0,0|2,0,0]=4 1736 B9R0.13 C=CCOC(CN)C(=O)O Amb27656801 [1,1,0,0,0,0|2,0,0]=4 1737 B9R0.13 CCC(CCC=O)C(=O)O Amb27216961 [1,1,0,0,0,0|1,0,0]=3 1738 B9R0.13 CCCCC(CN)C(=O)O Amb26978768 [1,1,0,0,0,0|1,0,1]=4 1739 B9R0.13 CCCCC(NC)C(=O)O Amb24116642 [1,1,0,0,0,0|1,0,1]=4 1740 B9R0.13 CCCCC(NCl)C(=O)O Amb27863591 [1,1,0,0,0,0|1,0,1]=4 1741 B9R0.13 CCCCC(NN)C(=O)O Amb18644274 [1,1,0,0,0,0|1,0,1]=4 1742 B9R0.13 CCCCC(NO)C(=O)O Amb27619251 [1,1,0,0,0,0|1,0,1]=4 1743 B9R0.13 CCCC[C@@H](CN)C(=O)O Amb27812140 [1,1,0,0,0,0|1,0,1]=4 1744 B9R0.13 CCCC[C@@H](NC)C(=O)O Amb22799980 [1,1,0,0,0,0|1,0,1]=4 1745 B9R0.13 CCCC[C@@H](NO)C(=O)O Amb27162541 [1,1,0,0,0,0|1,0,1]=4 1746 B9R0.13 CCCC[C@H](NC)C(=O)O Amb25887554 [1,1,0,0,0,0|1,0,1]=4 1747 B9R0.13 CNC(CCCN)C(=O)O Amb18644280 [1,1,0,0,0,0|0,0,1]=3 1748 B9R0.13 CNC(CCSC)C(=O)O Amb18792506 [1,1,0,0,0,0|2,0,0]=4 1749 B9R0.13 CN[C@@H](CCSC)C(=O)O Amb26844419 [1,1,0,0,0,0|2,0,0]=4 1750 B9R0.13 CN[C@H](CCCN)C(=O)O Amb28060751 [1,1,0,0,0,0|0,0,1]=3 1751 B9R0.13 CN[C@H](CCSC)C(=O)O Amb27974159 [1,1,0,0,0,0|2,0,0]=4 1752 B9R0.13 COCCC(CN)C(=O)O Amb24697893 [1,1,0,0,0,0|2,0,0]=4 1753 B9R0.13 CSCCC(CN)C(=O)O Amb24618199 [1,1,0,0,0,0|2,0,0]=4 1754 B9R0.13 CSCCC(NCl)C(=O)O Amb27635192 [1,1,0,0,0,0|2,0,0]=4 1755 B9R0.13 CSCCC(NF)C(=O)O Amb27233599 [1,1,0,0,0,0|2,0,0]=4 1756 B9R0.13 CSCC[C@@H](CN)C(=O)O Amb28458297 [1,1,0,0,0,0|2,0,0]=4 1757 B9R0.13 NCCCC(CS)C(=O)O Amb28458435 [1,1,0,0,0,0|1,0,1]=4 1758 B9R0.13 NCCC[C@@H](NN)C(=O)O Amb27768758 [1,1,0,0,0,0|0,0,1]=3 1759 B9R0.13 NCCNC(CN)C(=O)O Amb28454232 [1,1,0,0,0,0|1,0,1]=4 1760 B9R0.42 C#C[C@@H](O)C[C@@H](N)C(=O)O Amb28321822 [1,1,0,0,0,0|1,0,1]=4 1761 B9R0.42 C=CC(C)C[C@H](C)C(=O)O Amb27788729 [1,1,0,0,0,0|2,0,0]=4 1762 B9R0.42 CC(C#N)CC(N)C(=O)O Amb25262927 [1,1,0,0,0,0|0,0,2]=4 1763 B9R0.42 CC(C#N)C[C@@H](N)C(=O)O Amb33127539 [1,1,0,0,0,0|0,0,2]=4 1764 B9R0.42 CC(C#N)C[C@H](N)C(=O)O Amb33036873 [1,1,0,0,0,0|0,0,2]=4 1765 B9R0.42 CC(CF)CC(N)C(=O)O Amb27838056 [1,1,0,0,0,0|1,0,1]=4 1766 B9R0.42 CC(CO)CC(N)C(=O)O Amb25147300 [1,1,0,0,0,0|0,0,2]=4 1767 B9R0.42 CC(CO)C[C@@H](N)C(=O)O Amb33036727 [1,1,0,0,0,0|0,0,2]=4 1768 B9R0.42 CC(CO)C[C@H](N)C(=O)O Amb32865934 [1,1,0,0,0,0|0,0,2]=4 1769 B9R0.42 CCC(C)CC(N)C(=O)O Amb18313985 [1,1,0,0,0,0|1,0,1]=4 1770 B9R0.42 CCC(C)CC(N)C(=O)O Amb20667726 [1,1,0,0,0,0|1,0,1]=4 1771 B9R0.42 CCC(C)C[C@@H](N)C(=O)O Amb25127143 [1,1,0,0,0,0|1,0,1]=4 1772 B9R0.42 CCC(C)C[C@H](N)C(=O)O Amb27471067 [1,1,0,0,0,0|1,0,1]=4 1773 B9R0.42 CCC(N)CC(N)C(=O)O Amb27205091 [1,1,0,0,0,0|1,0,1]=4 1774 B9R0.42 CCC(O)CC(N)C(=O)O Amb24117068 [1,1,0,0,0,0|1,0,1]=4 1775 B9R0.42 CCC(O)C[C@@H](N)C(=O)O Amb33065603 [1,1,0,0,0,0|1,0,1]=4 1776 B9R0.42 CCC(O)C[C@H](N)C(=O)O Amb24759913 [1,1,0,0,0,0|1,0,1]=4 1777 B9R0.42 CC[C@H](C)CC(N)C(=O)O Amb28364291 [1,1,0,0,0,0|1,0,1]=4 1778 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O Amb25662528 [1,1,0,0,0,0|1,0,1]=4 1779 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O Amb33620552 [1,1,0,0,0,0|1,0,1]=4 1780 B9R0.42 COC(C)CC(N)C(=O)O Amb25147752 [1,1,0,0,0,0|2,0,0]=4 1781 B9R0.42 COC(C)C[C@@H](N)C(=O)O Amb24412403 [1,1,0,0,0,0|2,0,0]=4 1782 B9R0.42 COC(C)C[C@H](N)C(=O)O Amb27801695 [1,1,0,0,0,0|2,0,0]=4 1783 B9R0.42 CSC(C)C[C@H](N)C(=O)O Amb28208334 [1,1,0,0,0,0|2,0,0]=4 1784 B9R0.42 CS[C@@H](C)C[C@@H](N)C(=O)O Amb27755570 [1,1,0,0,0,0|2,0,0]=4 1785 B9R0.42 C[C@@H](CO)C[C@@H](N)C(=O)O Amb27398331 [1,1,0,0,0,0|0,0,2]=4 1786 B9R0.42 C[C@@H](C[C@@H](O)CN)C(=O)O Amb27768864 [1,1,0,0,0,0|1,0,1]=4 1787 B9R0.42 C[C@H](CO)C[C@H](N)C(=O)O Amb27625117 [1,1,0,0,0,0|0,0,2]=4 1788 B9R0.42 C[C@H](C[C@@H](O)CN)C(=O)O Amb27169198 [1,1,0,0,0,0|1,0,1]=4 1789 B9R0.42 C\C(=C/Cl)CC(N)C(=O)O Amb25934493 [1,1,0,0,0,0|1,0,1]=4 1790 B9R0.42 C\C(=C/Cl)C[C@@H](N)C(=O)O Amb27168937 [1,1,0,0,0,0|1,0,1]=4 1791 B9R0.42 C\C(=C/Cl)C[C@H](N)C(=O)O Amb26888703 [1,1,0,0,0,0|1,0,1]=4 1792 B9R0.42 C\C=C(/C)C[C@H](N)C(=O)O Amb27827659 [1,1,0,0,0,0|1,0,1]=4 1793 B9R0.42 NC(CC(F)CO)C(=O)O Amb27632459 [1,1,0,0,0,0|0,0,2]=4 1794 B9R0.42 NC(CC(O)C=O)C(=O)O Amb28126784 [1,1,0,0,0,0|0,0,0]=2 1795 B9R0.42 NC(CC(O)CF)C(=O)O Amb33065776 [1,1,0,0,0,0|1,0,1]=4 1796 B9R0.42 NC(CC(O)CO)C(=O)O Amb18644388 [1,1,0,0,0,0|0,0,2]=4 1797 B9R0.42 NC(CC(O)CO)C(=O)O Amb24117285 [1,1,0,0,0,0|0,0,2]=4 1798 B9R0.42 NC(C\C(Cl)=C\Cl)C(=O)O Amb27232854 [1,1,0,0,0,0|1,0,1]=4 1799 B9R0.42 NC(\C=C(\P)C=O)C(=O)O Amb25361040 [1,1,0,0,0,0|0,0,2]=4 1800 B9R0.42 NCC(F)C[C@H](N)C(=O)O Amb28126719 [1,1,0,0,0,0|0,0,1]=3 1801 B9R0.42 NCC(O)CC(N)C(=O)O Amb30988061 [1,1,0,0,0,0|0,0,1]=3 1802 B9R0.42 NCC(O)CC(O)C(=O)O Amb27170737 [1,1,0,0,0,0|1,0,1]=4 1803 B9R0.42 NC[C@H](O)CC(O)C(=O)O Amb27590744 [1,1,0,0,0,0|1,0,1]=4 1804 B9R0.42 NNC(=O)C[C@H](N)C(=O)O Amb24680907 [1,1,0,0,0,0|1,0,1]=4 1805 B9R0.42 N[C@@H](CC(O)CCl)C(=O)O Amb27837835 [1,1,0,0,0,0|1,0,1]=4 1806 B9R0.42 N[C@@H](CC(O)CF)C(=O)O Amb33036578 [1,1,0,0,0,0|1,0,1]=4 1807 B9R0.42 N[C@@H](CC(O)CO)C(=O)O Amb25870815 [1,1,0,0,0,0|0,0,2]=4 1808 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O Amb17607759 [1,1,0,0,0,0|2,0,0]=4 1809 B9R0.42 N[C@H](CC(O)CF)C(=O)O Amb32796094 [1,1,0,0,0,0|1,0,1]=4 1810 B9R0.42 N[C@H](CC(O)CO)C(=O)O Amb33036156 [1,1,0,0,0,0|0,0,2]=4 1811 B9R0.42 N[C@H](CN(O)N=O)C(=O)O Amb27976802 [1,1,0,0,0,0|2,0,0]=4 1812 B9R0.42 N\C=C(/N)CC(N)C(=O)O Amb28250396 [1,1,0,0,0,0|0,0,1]=3 1813 B9R0.47 C#CCCCC(N)C(=O)O Amb27947457 [1,1,0,0,0,0|1,0,1]=4 1814 B9R0.47 C#CCCCC(N)C(=O)O Amb33483976 [1,1,0,0,0,0|1,0,1]=4 1815 B9R0.47 C#CCCC[C@@H](N)C(=O)O Amb24077358 [1,1,0,0,0,0|1,0,1]=4 1816 B9R0.47 C#CCCC[C@H](N)C(=O)O Amb24088878 [1,1,0,0,0,0|1,0,1]=4 1817 B9R0.47 C#CCOC[C@H](N)C(=O)O Amb27644036 [1,1,0,0,0,0|1,0,1]=4 1818 B9R0.47 C#CCSCC(N)C(=O)O Amb6275547 [1,1,0,0,0,0|1,0,1]=4 1819 B9R0.47 C#CCSC[C@H](N)C(=O)O Amb17935864 [1,1,0,0,0,0|1,0,1]=4 1820 B9R0.47 C#C\C=C\CC(N)C(=O)O Amb25147384 [1,1,0,0,0,0|1,0,1]=4 1821 B9R0.47 C=CCCCC(N)C(=O)O Amb22002149 [1,1,0,0,0,0|1,0,0]=3 1822 B9R0.47 C=CCCCC(N)C(=O)O Amb32752542 [1,1,0,0,0,0|1,0,0]=3 1823 B9R0.47 C=CCCCC(N)C(N)=O Amb25988690 [1,1,0,0,0,0|2,0,0]=4 1824 B9R0.47 C=CCCC[C@@H](N)C(=O)O Amb22831130 [1,1,0,0,0,0|1,0,0]=3 1825 B9R0.47 C=CCCC[C@@H](N)C(=O)O Amb32687472 [1,1,0,0,0,0|1,0,0]=3 1826 B9R0.47 C=CCCC[C@H](N)C(=O)O Amb2699129 [1,1,0,0,0,0|1,0,0]=3 1827 B9R0.47 C=CCCOC(C)C(=O)O Amb9208711 [1,1,0,0,0,0|2,0,0]=4 1828 B9R0.47 C=CCCO[C@@H](C)C(=O)O Amb27254188 [1,1,0,0,0,0|2,0,0]=4 1829 B9R0.47 C=CCCO[C@H](C)C(=O)O Amb27976475 [1,1,0,0,0,0|2,0,0]=4 1830 B9R0.47 C=CCNCC(N)C(=O)O Amb27945606 [1,1,0,0,0,0|1,0,0]=3 1831 B9R0.47 C=CCOCC(N)C(=O)O Amb28048879 [1,1,0,0,0,0|1,0,0]=3 1832 B9R0.47 C=CCOCC(N)C(N)=O Amb26499253 [1,1,0,0,0,0|2,0,0]=4 1833 B9R0.47 C=CCOC[C@@H](N)C(=O)O Amb31030961 [1,1,0,0,0,0|1,0,0]=3 1834 B9R0.47 C=CCOC[C@@H](N)C(=O)O Amb32941137 [1,1,0,0,0,0|1,0,0]=3 1835 B9R0.47 C=CCOC[C@H](N)C(=O)O Amb24713287 [1,1,0,0,0,0|1,0,0]=3 1836 B9R0.47 C=CCSCC(C)C(=O)O Amb27813038 [1,1,0,0,0,0|2,0,0]=4 1837 B9R0.47 C=CCSCC(Cl)C(=O)O Amb27635176 [1,1,0,0,0,0|2,0,0]=4 1838 B9R0.47 C=CCSCC(N)C(=O)O Amb6270069 [1,1,0,0,0,0|1,0,0]=3 1839 B9R0.47 C=CCSCC(O)C(=O)O Amb27639084 [1,1,0,0,0,0|2,0,0]=4 1840 B9R0.47 C=CCSC[C@@H](C)C(=O)O Amb27955284 [1,1,0,0,0,0|2,0,0]=4 1841 B9R0.47 C=CCSC[C@@H](N)C(=O)O Amb10843878 [1,1,0,0,0,0|1,0,0]=3 1842 B9R0.47 C=CCSC[C@H](N)C(=O)O Amb22231426 [1,1,0,0,0,0|1,0,0]=3 1843 B9R0.47 C=CCSC[C@H](N)C(N)=O Amb28410940 [1,1,0,0,0,0|2,0,0]=4 1844 B9R0.47 C=CSCCC(N)C(=O)O Amb26658187 [1,1,0,0,0,0|1,0,0]=3 1845 B9R0.47 C=C\C=C\CC(N)C(=O)O Amb18643715 [1,1,0,0,0,0|1,0,1]=4 1846 B9R0.47 CC#CCCC(N)C(=O)O Amb28285646 [1,1,0,0,0,0|1,0,1]=4 1847 B9R0.47 CC#CCC[C@@H](N)C(=O)O Amb25835847 [1,1,0,0,0,0|1,0,1]=4 1848 B9R0.47 CC#CCC[C@H](N)C(=O)O Amb28368944 [1,1,0,0,0,0|1,0,1]=4 1849 B9R0.47 CC(CCCCN)C(=O)O Amb31031269 [1,1,0,0,0,0|1,0,1]=4 1850 B9R0.47 CC(CCN=C=O)C(=O)O Amb33471413 [1,1,0,0,0,0|1,0,1]=4 1851 B9R0.47 CC(CCNC=O)C(=O)O Amb27474434 [1,1,0,0,0,0|1,0,0]=3 1852 B9R0.47 CC(CNCCN)C(=O)O Amb27398545 [1,1,0,0,0,0|1,0,1]=4 1853 B9R0.47 CC(CSCCN)C(=O)O Amb18788221 [1,1,0,0,0,0|1,0,1]=4 1854 B9R0.47 CC(CSCCN)C(=O)O Amb28555435 [1,1,0,0,0,0|1,0,1]=4 1855 B9R0.47 CC(OCCCN)C(=O)O Amb18111477 [1,1,0,0,0,0|1,0,1]=4 1856 B9R0.47 CC(SCCCN)C(=O)O Amb17500677 [1,1,0,0,0,0|1,0,1]=4 1857 B9R0.47 CCCCCC(N)C(=O)O Amb4134810 [1,1,0,0,0,0|1,0,1]=4 1858 B9R0.47 CCCCC[C@@H](N)C(=O)O Amb22745982 [1,1,0,0,0,0|1,0,1]=4 1859 B9R0.47 CCCCC[C@H](N)C(=O)O Amb17943098 [1,1,0,0,0,0|1,0,1]=4 1860 B9R0.47 CCCCSC(N)C(=O)O Amb27760526 [1,1,0,0,0,0|1,0,1]=4 1861 B9R0.47 CCCOCC(N)C(=O)O Amb24621740 [1,1,0,0,0,0|1,0,1]=4 1862 B9R0.47 CCCOC[C@@H](N)C(=O)O Amb27480715 [1,1,0,0,0,0|1,0,1]=4 1863 B9R0.47 CCCOC[C@H](N)C(=O)O Amb27223143 [1,1,0,0,0,0|1,0,1]=4 1864 B9R0.47 CCCSCC(N)C(=O)O Amb6265881 [1,1,0,0,0,0|1,0,1]=4 1865 B9R0.47 CCCSCC(N)C(=O)O Amb9176295 [1,1,0,0,0,0|1,0,1]=4 1866 B9R0.47 CCCSC[C@H](N)C(=O)O Amb27471340 [1,1,0,0,0,0|1,0,1]=4 1867 B9R0.47 CCNCCC(N)C(=O)O Amb932772 [1,1,0,0,0,0|1,0,1]=4 1868 B9R0.47 CCNCC[C@@H](N)C(=O)O Amb28520031 [1,1,0,0,0,0|1,0,1]=4 1869 B9R0.47 CCOCCC(N)C(=O)O Amb32671298 [1,1,0,0,0,0|1,0,1]=4 1870 B9R0.47 CCOCCC(N)C(=O)O Amb9316664 [1,1,0,0,0,0|1,0,1]=4 1871 B9R0.47 CCOCC[C@@H](N)C(=O)O Amb28187742 [1,1,0,0,0,0|1,0,1]=4 1872 B9R0.47 CCOCC[C@H](N)C(=O)O Amb26612670 [1,1,0,0,0,0|1,0,1]=4 1873 B9R0.47 CCSCCC(N)C(=O)O Amb2137050 [1,1,0,0,0,0|1,0,1]=4 1874 B9R0.47 CCSCC[C@@H](N)C(=O)O Amb17613843 [1,1,0,0,0,0|1,0,1]=4 1875 B9R0.47 CCSCC[C@H](N)C(=O)O Amb17613844 [1,1,0,0,0,0|1,0,1]=4 1876 B9R0.47 CC\C=C\CC(N)C(=O)O Amb25255710 [1,1,0,0,0,0|1,0,1]=4 1877 B9R0.47 CC\C=C\CC(N)C(=O)O Amb30666656 [1,1,0,0,0,0|1,0,1]=4 1878 B9R0.47 CNCCCC(N)C(=O)O Amb18644279 [1,1,0,0,0,0|0,0,1]=3 1879 B9R0.47 CNOCC[C@H](N)C(=O)O Amb27405026 [1,1,0,0,0,0|1,0,0]=3 1880 B9R0.47 COCCCC(N)C(=O)O Amb22058809 [1,1,0,0,0,0|0,0,2]=4 1881 B9R0.47 COCCCC(N)C(=O)O Amb33549526 [1,1,0,0,0,0|0,0,2]=4 1882 B9R0.47 COCCC[C@@H](N)C(=O)O Amb25081508 [1,1,0,0,0,0|0,0,2]=4 1883 B9R0.47 COCCC[C@H](N)C(=O)O Amb25378737 [1,1,0,0,0,0|0,0,2]=4 1884 B9R0.47 CONCC[C@H](N)C(=O)O Amb27623933 [1,1,0,0,0,0|1,0,1]=4 1885 B9R0.47 CSCCCC(N)C(=O)O Amb17594057 [1,1,0,0,0,0|0,1,1]=4 1886 B9R0.47 CSCCCC(N)C(=O)O Amb35789017 [1,1,0,0,0,0|0,1,1]=4 1887 B9R0.47 CSCCC[C@@H](N)C(=O)O Amb27233529 [1,1,0,0,0,0|0,1,1]=4 1888 B9R0.47 CSCCC[C@H](N)C(=O)O Amb27858783 [1,1,0,0,0,0|0,1,1]=4 1889 B9R0.47 CSCSC[C@H](N)C(=O)O Amb26874540 [1,1,0,0,0,0|2,0,0]=4 1890 B9R0.47 CSSCCC(N)C(=O)O Amb28456103 [1,1,0,0,0,0|1,1,0]=4 1891 B9R0.47 C[C@@H](NCCCN)C(=O)O Amb25710680 [1,1,0,0,0,0|1,0,1]=4 1892 B9R0.47 C[C@@H](OCCCN)C(=O)O Amb27465122 [1,1,0,0,0,0|1,0,1]=4 1893 B9R0.47 C\C=C\CCC(C)C(=O)O Amb27461427 [1,1,0,0,0,0|2,0,0]=4 1894 B9R0.47 C\C=C\CCC(N)C(=O)O Amb27770583 [1,1,0,0,0,0|1,0,0]=3 1895 B9R0.47 N#CCCCC(N)C(=O)O Amb25242567 [1,1,0,0,0,0|0,0,2]=4 1896 B9R0.47 N#CCCC[C@@H](N)C(=O)O Amb28349132 [1,1,0,0,0,0|0,0,2]=4 1897 B9R0.47 N#CCCC[C@H](N)C(=O)O Amb26043277 [1,1,0,0,0,0|0,0,2]=4 1898 B9R0.47 N#CCSC[C@H](N)C(=O)O Amb18179968 [1,1,0,0,0,0|0,0,2]=4 1899 B9R0.47 N#CNCCC(N)C(=O)O Amb27180972 [1,1,0,0,0,0|0,0,2]=4 1900 B9R0.47 N#CSCCC(N)C(=O)O Amb27984671 [1,1,0,0,0,0|0,0,2]=4 1901 B9R0.47 NC(CCCCF)C(=O)O Amb28193271 [1,1,0,0,0,0|1,0,1]=4 1902 B9R0.47 NC(CCCCO)C(=O)O Amb2699159 [1,1,0,0,0,0|0,0,2]=4 1903 B9R0.47 NC(CCSN=O)C(=O)O Amb26516416 [1,1,0,0,0,0|1,0,0]=3 1904 B9R0.47 NC(COCCCl)C(=O)O Amb18126477 [1,1,0,0,0,0|1,0,1]=4 1905 B9R0.47 NC(CSCCO)C(=O)O Amb6262852 [1,1,0,0,0,0|0,0,2]=4 1906 B9R0.47 NC(CSCCS)C(=O)O Amb27837996 [1,1,0,0,0,0|0,1,1]=4 1907 B9R0.47 NC(CS\C=C\Cl)C(=O)O Amb28325993 [1,1,0,0,0,0|1,0,1]=4 1908 B9R0.47 NC(C\C=C/CO)C(=O)O Amb28046143 [1,1,0,0,0,0|0,0,2]=4 1909 B9R0.47 NCC#CCC(N)C(=O)O Amb25369913 [1,1,0,0,0,0|0,0,2]=4 1910 B9R0.47 NCC#CCC(N)C(=O)O Amb28555546 [1,1,0,0,0,0|0,0,2]=4 1911 B9R0.47 NCC#CC[C@@H](N)C(=O)O Amb24118079 [1,1,0,0,0,0|0,0,2]=4 1912 B9R0.47 NCC#CC[C@H](N)C(=O)O Amb28134098 [1,1,0,0,0,0|0,0,2]=4 1913 B9R0.47 NCCCCC(N)C(=O)O Amb22349470 [1,1,0,0,0,0|0,0,1]=3 1914 B9R0.47 NCCCCC(N)C(=O)O Amb22489521 [1,1,0,0,0,0|0,0,1]=3 1915 B9R0.47 NCCCCC(N)C(=O)O Amb3940540 [1,1,0,0,0,0|0,0,1]=3 1916 B9R0.47 NCCCCC(N)C(=O)O Amb8516470 [1,1,0,0,0,0|0,0,1]=3 1917 B9R0.47 NCCCCC(N)C(=O)O Amb8516682 [1,1,0,0,0,0|0,0,1]=3 1918 B9R0.47 NCCCCC(N)C(N)=O Amb17593646 [1,1,0,0,0,0|1,0,1]=4 1919 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb22750565 [1,1,0,0,0,0|0,0,1]=3 1920 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb2720180 [1,1,0,0,0,0|0,0,1]=3 1921 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb30621835 [1,1,0,0,0,0|0,0,1]=3 1922 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb3940874 [1,1,0,0,0,0|0,0,1]=3 1923 B9R0.47 NCCCC[C@@H](N)C(N)=O Amb27404620 [1,1,0,0,0,0|1,0,1]=4 1924 B9R0.47 NCCCC[C@H](N)C(=O)O Amb2720055 [1,1,0,0,0,0|0,0,1]=3 1925 B9R0.47 NCCCC[C@H](N)C(=O)O Amb3940762 [1,1,0,0,0,0|0,0,1]=3 1926 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8395455 [1,1,0,0,0,0|0,0,1]=3 1927 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8513720 [1,1,0,0,0,0|0,0,1]=3 1928 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8628529 [1,1,0,0,0,0|0,0,1]=3 1929 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8628598 [1,1,0,0,0,0|0,0,1]=3 1930 B9R0.47 NCCCC[C@H](N)C(N)=O Amb33757921 [1,1,0,0,0,0|1,0,1]=4 1931 B9R0.47 NCCCOC(N)C(=O)O Amb27838076 [1,1,0,0,0,0|0,0,1]=3 1932 B9R0.47 NCCCS[C@H](N)C(=O)O Amb27410557 [1,1,0,0,0,0|0,0,1]=3 1933 B9R0.47 NCCOCC(N)C(=O)O Amb27224745 [1,1,0,0,0,0|0,0,1]=3 1934 B9R0.47 NCCOC[C@H](N)C(=O)O Amb26844671 [1,1,0,0,0,0|0,0,1]=3 1935 B9R0.47 NCCSCC(O)C(=O)O Amb27789579 [1,1,0,0,0,0|1,0,1]=4 1936 B9R0.47 NCCSC[C@@H](N)C(=O)O Amb27945627 [1,1,0,0,0,0|0,0,1]=3 1937 B9R0.47 NCCSC[C@H](N)C(=O)O Amb22362775 [1,1,0,0,0,0|0,0,1]=3 1938 B9R0.47 NCCSC[C@H](N)C(=O)O Amb25887551 [1,1,0,0,0,0|0,0,1]=3 1939 B9R0.47 NCSCCC(N)C(=O)O Amb27468506 [1,1,0,0,0,0|0,0,1]=3 1940 B9R0.47 NCSCC[C@H](N)C(=O)O Amb27425090 [1,1,0,0,0,0|0,0,1]=3 1941 B9R0.47 NC\C=C\CC(N)C(=O)O Amb22800680 [1,1,0,0,0,0|0,0,1]=3 1942 B9R0.47 NOCCCC(N)C(=O)O Amb24117962 [1,1,0,0,0,0|0,0,1]=3 1943 B9R0.47 NOCCCC(N)C(=O)O Amb27222313 [1,1,0,0,0,0|0,0,1]=3 1944 B9R0.47 NOCCC[C@H](N)C(=O)O Amb28397870 [1,1,0,0,0,0|0,0,1]=3 1945 B9R0.47 N[C@@H](CCCC=O)C(=O)O Amb2695588 [1,1,0,0,0,0|0,0,0]=2 1946 B9R0.47 N[C@@H](CCCCBr)C(=O)O Amb28208462 [1,1,0,0,0,0|1,0,1]=4 1947 B9R0.47 N[C@@H](CCCCCl)C(=O)O Amb27267870 [1,1,0,0,0,0|1,0,1]=4 1948 B9R0.47 N[C@@H](CCCCF)C(=O)O Amb27945388 [1,1,0,0,0,0|1,0,1]=4 1949 B9R0.47 N[C@@H](CCCCO)C(=O)O Amb2695139 [1,1,0,0,0,0|0,0,2]=4 1950 B9R0.47 N[C@@H](CCCCS)C(=O)O Amb25729289 [1,1,0,0,0,0|0,1,1]=4 1951 B9R0.47 N[C@@H](CCCNO)C(=O)O Amb29083430 [1,1,0,0,0,0|0,0,1]=3 1952 B9R0.47 N[C@@H](CCCNO)C(=O)O Amb30666629 [1,1,0,0,0,0|0,0,1]=3 1953 B9R0.47 N[C@@H](CCSN=O)C(=O)O Amb24665147 [1,1,0,0,0,0|1,0,0]=3 1954 B9R0.47 N[C@@H](CNCCO)C(=O)O Amb25146307 [1,1,0,0,0,0|0,0,2]=4 1955 B9R0.47 N[C@@H](COCCCl)C(=O)O Amb28134274 [1,1,0,0,0,0|1,0,1]=4 1956 B9R0.47 N[C@@H](CSCCCl)C(=O)O Amb25887675 [1,1,0,0,0,0|1,0,1]=4 1957 B9R0.47 N[C@@H](CSCCF)C(=O)O Amb27837852 [1,1,0,0,0,0|1,0,1]=4 1958 B9R0.47 N[C@@H](CSCCO)C(=O)O Amb2695551 [1,1,0,0,0,0|0,0,2]=4 1959 B9R0.47 N[C@H](CCCC=O)C(=O)O Amb27272621 [1,1,0,0,0,0|0,0,0]=2 1960 B9R0.47 N[C@H](CCCCF)C(=O)O Amb26370180 [1,1,0,0,0,0|1,0,1]=4 1961 B9R0.47 N[C@H](CCCCO)C(=O)O Amb26969244 [1,1,0,0,0,0|0,0,2]=4 1962 B9R0.47 N[C@H](CSCCO)C(=O)O Amb8629048 [1,1,0,0,0,0|0,0,2]=4 1963 B9R0.47 O=C(O)C(Cl)CC\C=C\Cl Amb27984937 [1,1,0,0,0,0|2,0,0]=4 1964 B9R0.47 O=CCSCC(=O)C(=O)O Amb33069914 [1,1,0,0,0,0|1,0,1]=4 1965 B9R0.47 [N-]=[N+]=NCCC(N)C(=O)O Amb25766449 [1,1,0,0,0,0|1,0,1]=4 1966 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(=O)O Amb19130389 [1,1,0,0,0,0|1,0,1]=4 1967 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O Amb16183915 [1,1,0,0,0,0|1,0,1]=4 1968 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O Amb30586484 [1,1,0,0,0,0|1,0,1]=4 1969 B9R0.51 C=CCCC(C)(C)C(=O)O Amb22228237 [1,1,0,0,0,0|2,0,0]=4 1970 B9R0.51 C=CCCC(C)(N)C(=O)O Amb24524526 [1,1,0,0,0,0|1,0,0]=3 1971 B9R0.51 C=CCCC(C)(O)C(=O)O Amb28074348 [1,1,0,0,0,0|2,0,0]=4 1972 B9R0.51 C=CCCC(F)(F)C(=O)O Amb28325401 [1,1,0,0,0,0|2,0,0]=4 1973 B9R0.51 C=CCC[C@](C)(N)C(=O)O Amb24478852 [1,1,0,0,0,0|1,0,0]=3 1974 B9R0.51 CC(C)(CCCN)C(=O)O Amb26855022 [1,1,0,0,0,0|1,0,1]=4 1975 B9R0.51 CC(C)(CCCN)C(=O)O Amb27601033 [1,1,0,0,0,0|1,0,1]=4 1976 B9R0.51 CC(C)(CCON)C(=O)O Amb28254746 [1,1,0,0,0,0|2,0,0]=4 1977 B9R0.51 CC(C)(CNC=O)C(=O)O Amb27592035 [1,1,0,0,0,0|2,0,0]=4 1978 B9R0.51 CC(N)(CCCF)C(=O)O Amb32670154 [1,1,0,0,0,0|1,0,1]=4 1979 B9R0.51 CC(N)(CCCN)C(=O)O Amb18644277 [1,1,0,0,0,0|0,0,1]=3 1980 B9R0.51 CC(N)(CCCN)C(=O)O Amb2697838 [1,1,0,0,0,0|0,0,1]=3 1981 B9R0.51 CCCCC(C)(N)C(=O)O Amb33743440 [1,1,0,0,0,0|1,0,1]=4 1982 B9R0.51 CCCCC(C)(N)C(=O)O Amb4134834 [1,1,0,0,0,0|1,0,1]=4 1983 B9R0.51 CCCC[C@@](C)(N)C(=O)O Amb26346904 [1,1,0,0,0,0|1,0,1]=4 1984 B9R0.51 CCCC[C@](C)(N)C(=O)O Amb25961122 [1,1,0,0,0,0|1,0,1]=4 1985 B9R0.51 COCC[C@](C)(N)C(=O)O Amb27425033 [1,1,0,0,0,0|2,0,0]=4 1986 B9R0.51 CSCC[C@@](C)(N)C(=O)O Amb24482190 [1,1,0,0,0,0|2,0,0]=4 1987 B9R0.51 C[C@@](N)(CCCN)C(=O)O Amb27468967 [1,1,0,0,0,0|0,0,1]=3 1988 B9R0.51 C\C=C\CC(C)(N)C(=O)O Amb27591750 [1,1,0,0,0,0|1,0,1]=4 1989 B9R0.51 NCCCC(Cl)(Cl)C(=O)O Amb17594797 [1,1,0,0,0,0|1,0,1]=4 1990 B9R0.23 CC(=O)CC(C)C(C)C=O Amb28049891 [1,1,0,0,0,0|2,0,0]=4 1991 B9R0.23 CC(C=O)C(C)CC(=O)O Amb27838156 [1,1,0,0,0,0|2,0,0]=4 1992 B9R0.23 CC(CC(=O)O)C(N)CO Amb27843636 [1,1,0,0,0,0|1,0,1]=4 1993 B9R0.23 C[C@H](C=O)[C@@H](C)CC(=O)O Amb27874077 [1,1,0,0,0,0|2,0,0]=4 1994 B9R0.23 NC(=O)CC(N)[C@H](O)CO Amb28050874 [1,1,0,0,0,0|1,0,1]=4 1995 B9R0.23 NC(=O)C[C@@H](O)[C@H](O)CO Amb27788545 [1,1,0,0,0,0|1,0,1]=4 1996 B9R0.23 NC(=O)C[C@H](O)[C@H](O)CO Amb27759937 [1,1,0,0,0,0|1,0,1]=4 1997 B9R0.23 NC(CO)C(N)CC(=O)O Amb27804493 [1,1,0,0,0,0|1,0,1]=4 1998 B9R0.23 N[C@@H](CO)[C@H](N)CC(=O)O Amb27594534 [1,1,0,0,0,0|1,0,1]=4 1999 B9R0.24 C=CC(N)CCC(=O)OC Amb18124639 [1,1,0,0,0,0|2,0,0]=4 2000 B9R0.24 C=C[C@@H](N)CCC(=O)OC Amb27247194 [1,1,0,0,0,0|2,0,0]=4 2001 B9R0.24 CC(CO)CCC(=O)NN Amb28350052 [1,1,0,0,0,0|1,0,1]=4 2002 B9R0.24 CCC(=O)CCC(C)C=O Amb27424839 [1,1,0,0,0,0|2,0,0]=4 2003 B9R0.24 CCC(N)CCC(=O)NC Amb27483390 [1,1,0,0,0,0|1,0,1]=4 2004 B9R0.24 COC(=O)CCC(C)C=O Amb18644121 [1,1,0,0,0,0|2,0,0]=4 2005 B9R0.24 COC(=O)CCC(Cl)C=O Amb27760397 [1,1,0,0,0,0|2,0,0]=4 2006 B9R0.43 C=CC(C=O)CCC(C)=O Amb24619623 [1,1,0,0,0,0|2,0,0]=4 2007 B9R0.43 CCC(C=O)CCC(C)=O Amb18643911 [1,1,0,0,0,0|2,0,0]=4 2008 B9R0.43 CC[C@H](C=O)CCC(C)=O Amb24573990 [1,1,0,0,0,0|2,0,0]=4 2009 B9R0.48 C=C=C[C@H](N)CCC(=O)O Amb27391437 [1,1,0,0,0,0|2,0,0]=4 2010 B9R0.48 CC(=O)CCC(C)CC=O Amb28199726 [1,1,0,0,0,0|2,0,0]=4 2011 B9R0.48 CC(=O)CC[C@H](C)CC=O Amb27255456 [1,1,0,0,0,0|2,0,0]=4 2012 B9R0.48 CC(CC=O)CCC(=O)O Amb27439382 [1,1,0,0,0,0|2,0,0]=4 2013 B9R0.48 CN(CC=O)CCC(N)=O Amb27452718 [1,1,0,0,0,0|2,0,0]=4 2014 B9R0.48 COCC(N)CCC(=O)O Amb33036364 [1,1,0,0,0,0|1,0,1]=4 2015 B9R0.48 NC(\C=C\F)CCC(=O)O Amb27221055 [1,1,0,0,0,0|2,0,0]=4 2016 B9R0.64 CC(=O)CCC(C)(C)C=O Amb18643910 [1,1,0,0,0,0|2,0,0]=4 2017 B9R0.64 CC(C)(C=O)CCC(=O)O Amb18644118 [1,1,0,0,0,0|2,0,0]=4 2018 B9R0.64 CC(C)(C=O)CCC(N)=O Amb27812357 [1,1,0,0,0,0|1,0,0]=3 2019 B9R0.1 C=C(Br)CCCC(=O)OC Amb24717516 [1,1,0,0,0,0|2,0,0]=4 2020 B9R0.1 C=C(C)CCCC(=O)OC Amb25995990 [1,1,0,0,0,0|2,0,0]=4 2021 B9R0.1 C=C(C=O)CCCC(C)=O Amb8392635 [1,1,0,0,0,0|2,0,0]=4 2022 B9R0.1 C=CC(=C)CCCC(N)=O Amb27424951 [1,1,0,0,0,0|2,0,0]=4 2023 B9R0.1 C=CC(=O)CCCC(=O)O Amb27770363 [1,1,0,0,0,0|1,0,0]=3 2024 B9R0.1 C=CC(=O)CCCC(C)=O Amb27409542 [1,1,0,0,0,0|2,0,0]=4 2025 B9R0.1 C=CC(=O)NCCC(=O)O Amb6257105 [1,1,0,0,0,0|2,0,0]=4 2026 B9R0.1 C=CC(=O)NCCC(N)=O Amb9481014 [1,1,0,0,0,0|2,0,0]=4 2027 B9R0.1 C=CC(=O)OCCC(=O)O Amb18644058 [1,1,0,0,0,0|2,0,0]=4 2028 B9R0.1 CC(=O)CCCC(=N)NN Amb25146305 [1,1,0,0,0,0|2,0,0]=4 2029 B9R0.1 CC(=O)CCCC(=O)NO Amb27980256 [1,1,0,0,0,0|1,0,0]=3 2030 B9R0.1 CC(=O)CCC\C(C)=N\O Amb28434847 [1,1,0,0,0,0|2,0,0]=4 2031 B9R0.1 CC(C=O)CCCC(=O)O Amb27173621 [1,1,0,0,0,0|1,0,1]=4 2032 B9R0.1 CC(CN)CCCC(=O)O Amb27592530 [1,1,0,0,0,0|1,0,1]=4 2033 B9R0.1 CC(N)CCCC(=O)NO Amb28122781 [1,1,0,0,0,0|1,0,1]=4 2034 B9R0.1 CC(O)CCCC(=O)NN Amb24352284 [1,1,0,0,0,0|1,0,1]=4 2035 B9R0.1 CCC(=O)NCCC(=O)O Amb1120326 [1,1,0,0,0,0|2,0,0]=4 2036 B9R0.1 CCC(=O)NCCC(N)=O Amb17231982 [1,1,0,0,0,0|2,0,0]=4 2037 B9R0.1 CCC(=O)OCCC(=O)O Amb26597385 [1,1,0,0,0,0|2,0,0]=4 2038 B9R0.1 CCC(=O)SCCC(=O)O Amb27657281 [1,1,0,0,0,0|2,0,0]=4 2039 B9R0.1 CN(CCCC(=O)O)N=O Amb17618588 [1,1,0,0,0,0|2,0,0]=4 2040 B9R0.1 CNC(=N)NCCC(=O)O Amb26014274 [1,1,0,0,0,0|2,0,0]=4 2041 B9R0.1 CNC(=O)CCCC(=O)[O-] Amb24271120 [1,1,0,0,0,0|0,0,1]=3 2042 B9R0.1 CNC(=O)CNCC(=O)O Amb8943036 [1,1,0,0,0,0|1,0,0]=3 2043 B9R0.1 CNC(=O)CNCC(C)=O Amb27789643 [1,1,0,0,0,0|2,0,0]=4 2044 B9R0.1 CNC(=O)COCC(=O)O Amb17232024 [1,1,0,0,0,0|1,0,0]=3 2045 B9R0.1 CNC(=O)CSCC(=O)O Amb6251930 [1,1,0,0,0,0|1,0,0]=3 2046 B9R0.1 CNC(=O)CSCC(N)=O Amb27170981 [1,1,0,0,0,0|2,0,0]=4 2047 B9R0.1 CNC(=O)NCCC(=O)O Amb1127025 [1,1,0,0,0,0|1,0,0]=3 2048 B9R0.1 CNC(=O)NOCC(=O)O Amb27970392 [1,1,0,0,0,0|2,0,0]=4 2049 B9R0.1 COC(=O)CCCC(=O)Cl Amb3939328 [1,1,0,0,0,0|1,0,0]=3 2050 B9R0.1 COC(=O)CCCC(=O)O Amb2720900 [1,1,0,0,0,0|1,0,0]=3 2051 B9R0.1 COC(=O)CCCC(=O)[O-] Amb33948529 [1,1,0,0,0,0|1,0,0]=3 2052 B9R0.1 COC(=O)CCCC(C)=O Amb17846860 [1,1,0,0,0,0|1,0,0]=3 2053 B9R0.1 COC(=O)CCCC(C)N Amb27759913 [1,1,0,0,0,0|1,0,1]=4 2054 B9R0.1 COC(=O)CCCC(N)=O Amb27882411 [1,1,0,0,0,0|0,0,0]=2 2055 B9R0.1 COC(=O)CCCC(N)=S Amb25360938 [1,1,0,0,0,0|0,1,0]=3 2056 B9R0.1 COC(=O)CCCS(=O)Cl Amb26409514 [1,1,0,0,0,0|2,0,0]=4 2057 B9R0.1 COC(=O)CCCS(=O)[O-] Amb25914636 [1,1,0,0,0,0|2,0,0]=4 2058 B9R0.1 COC(=O)CCCS(C)=O Amb18788307 [1,1,0,0,0,0|2,0,0]=4 2059 B9R0.1 COC(=O)CCCS(N)=O Amb32720319 [1,1,0,0,0,0|1,0,0]=3 2060 B9R0.1 COC(=O)CCC[N+](=O)[O-] Amb1073683 [1,1,0,0,0,0|2,0,0]=4 2061 B9R0.1 COC(=O)CCNC(C)=O Amb15691935 [1,1,0,0,0,0|2,0,0]=4 2062 B9R0.1 COC(=O)CCNC(N)=O Amb22740124 [1,1,0,0,0,0|1,0,0]=3 2063 B9R0.1 COC(=O)CCOC(C)=O Amb27972208 [1,1,0,0,0,0|2,0,0]=4 2064 B9R0.1 COC(=O)CCSC(=O)Cl Amb26446360 [1,1,0,0,0,0|2,0,0]=4 2065 B9R0.1 COC(=O)CCSC(N)=O Amb28254662 [1,1,0,0,0,0|1,0,0]=3 2066 B9R0.1 COC(=O)CC\N=C(/C)N Amb27826068 [1,1,0,0,0,0|2,0,0]=4 2067 B9R0.1 COC(=O)CNCC(=O)O Amb7766422 [1,1,0,0,0,0|2,0,0]=4 2068 B9R0.1 COC(=O)COCC(=O)O Amb25305044 [1,1,0,0,0,0|2,0,0]=4 2069 B9R0.1 COC(=O)COCC(C)=O Amb8392403 [1,1,0,0,0,0|2,0,0]=4 2070 B9R0.1 COC(=O)CSCC(=O)O Amb33532171 [1,1,0,0,0,0|2,0,0]=4 2071 B9R0.1 COC(=O)CSCC(C)=O Amb2444691 [1,1,0,0,0,0|2,0,0]=4 2072 B9R0.1 COC(=O)NCCC(=O)O Amb6468177 [1,1,0,0,0,0|2,0,0]=4 2073 B9R0.1 COC(=O)OCCC(C)=O Amb28049880 [1,1,0,0,0,0|2,0,0]=4 2074 B9R0.1 COC(=S)NCCC(N)=O Amb28126714 [1,1,0,0,0,0|1,1,0]=4 2075 B9R0.1 C\C(CCCC(=O)O)=N/O Amb27779283 [1,1,0,0,0,0|1,0,1]=4 2076 B9R0.1 N=C(CN)NCCC(=O)O Amb28346899 [1,1,0,0,0,0|2,0,0]=4 2077 B9R0.1 NC(=O)CCNC(=O)CBr Amb27786158 [1,1,0,0,0,0|2,0,0]=4 2078 B9R0.1 NC(=O)CCNC(=O)CCl Amb9415901 [1,1,0,0,0,0|2,0,0]=4 2079 B9R0.1 NC(=O)CCNC(=O)CS Amb27981235 [1,1,0,0,0,0|1,1,0]=4 2080 B9R0.1 NC(=O)CCOC(=O)CO Amb28136694 [1,1,0,0,0,0|1,0,0]=3 2081 B9R0.1 NC(=O)CNC\C(N)=N\O Amb27949308 [1,1,0,0,0,0|2,0,0]=4 2082 B9R0.1 NC(=O)CSCC(=O)NO Amb27764593 [1,1,0,0,0,0|1,0,0]=3 2083 B9R0.1 NC(CO)CCCC(=O)O Amb25889148 [1,1,0,0,0,0|0,0,2]=4 2084 B9R0.1 NCC(=O)CCCC(=O)O Amb22035333 [1,1,0,0,0,0|0,0,0]=2 2085 B9R0.1 NCC(=O)CNCC(=O)O Amb27979091 [1,1,0,0,0,0|1,0,0]=3 2086 B9R0.1 NCC(=O)NCCC(=O)O Amb4018061 [1,1,0,0,0,0|1,0,0]=3 2087 B9R0.1 NCC(=O)ONCC(=O)O Amb27625948 [1,1,0,0,0,0|2,0,0]=4 2088 B9R0.1 NC[C@@H](N)CCCC(=O)O Amb33756779 [1,1,0,0,0,0|1,0,1]=4 2089 B9R0.1 N[C@H](CO)CCCC(=O)O Amb27751891 [1,1,0,0,0,0|0,0,2]=4 2090 B9R0.1 N\C(CNCC(=O)O)=N/O Amb27881601 [1,1,0,0,0,0|1,0,1]=4 2091 B9R0.1 N\N=C(/N)NCCC(=O)O Amb24682101 [1,1,0,0,0,0|2,0,0]=4 2092 B9R0.1 O=C(O)CCCC(=O)CO Amb27493969 [1,1,0,0,0,0|1,0,0]=3 2093 B9R0.1 O=C(O)CCCC(=O)NO Amb27494720 [1,1,0,0,0,0|0,0,0]=2 2094 B9R0.1 O=C(O)CCNC(=O)CBr Amb17609911 [1,1,0,0,0,0|2,0,0]=4 2095 B9R0.1 O=C(O)CCNC(=O)CCl Amb2781692 [1,1,0,0,0,0|2,0,0]=4 2096 B9R0.1 O=C(O)CCNC(=O)CO Amb24478846 [1,1,0,0,0,0|2,0,0]=4 2097 B9R0.1 O=CN(O)CCCC(=O)O Amb25320259 [1,1,0,0,0,0|2,0,0]=4 2098 B9R0.53 C=C(C)CC(N)CC(=O)O Amb32687894 [1,1,0,0,0,0|2,0,0]=4 2099 B9R0.53 CC(=O)CC(C)OC(N)=O Amb27196213 [1,1,0,0,0,0|2,0,0]=4 2100 B9R0.53 CC(=O)C[C@@H](C)CC(=O)O Amb27881969 [1,1,0,0,0,0|1,0,0]=3 2101 B9R0.53 CC(=O)NC(C)CC(=O)O Amb9007551 [1,1,0,0,0,0|2,0,0]=4 2102 B9R0.53 CC(=O)NC(C)CC(N)=O Amb27454423 [1,1,0,0,0,0|2,0,0]=4 2103 B9R0.53 CC(=O)N[C@@H](C)CC(=O)O Amb2372568 [1,1,0,0,0,0|2,0,0]=4 2104 B9R0.53 CC(=O)O[C@@H](C)CC(=O)O Amb28340506 [1,1,0,0,0,0|2,0,0]=4 2105 B9R0.53 CC(=O)SC(C)CC(=O)O Amb4014288 [1,1,0,0,0,0|2,0,0]=4 2106 B9R0.53 CC(CC(=O)Cl)CC(=O)Cl Amb28076995 [1,1,0,0,0,0|2,0,0]=4 2107 B9R0.53 CC(CC(=O)O)CC(=O)O Amb2782854 [1,1,0,0,0,0|1,0,0]=3 2108 B9R0.53 CC(CC(=O)O)NC(=N)N Amb25696242 [1,1,0,0,0,0|2,0,0]=4 2109 B9R0.53 CC(CC(=O)O)NC(N)=O Amb9018480 [1,1,0,0,0,0|1,0,0]=3 2110 B9R0.53 CC(CC(N)=O)CC(N)=O Amb4020693 [1,1,0,0,0,0|1,0,0]=3 2111 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [1,1,0,0,0,0|2,0,0]=4 2112 B9R0.53 CN(CC(N)=O)CC(N)=O Amb27395331 [1,1,0,0,0,0|2,0,0]=4 2113 B9R0.53 CS(=O)C[C@H](N)CC(=O)O Amb27776743 [1,1,0,0,0,0|2,0,0]=4 2114 B9R0.53 C[C@@H](CC(N)=O)CC(=O)O Amb27404517 [1,1,0,0,0,0|0,0,0]=2 2115 B9R0.53 NC(=O)CC(N)CC(=O)O Amb27837998 [1,1,0,0,0,0|0,0,0]=2 2116 B9R0.53 NC(=O)CC(O)CC(N)=O Amb27203532 [1,1,0,0,0,0|1,0,0]=3 2117 B9R0.53 NC(=O)C[C@@H](N)CC(=O)O Amb26023970 [1,1,0,0,0,0|0,0,0]=2 2118 B9R0.53 NC(=O)NC(=O)CC(=O)O Amb25887627 [1,1,0,0,0,0|1,0,1]=4 2119 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [1,1,0,0,0,0|1,0,0]=3 2120 B9R0.53 NC(CC(=O)O)CC(=O)O Amb6296966 [1,1,0,0,0,0|1,0,0]=3 2121 B9R0.53 NN(CC(=O)O)CC(=O)O Amb534841 [1,1,0,0,0,0|2,0,0]=4 2122 B9R0.53 O=C(Cl)CC(Cl)CC(=O)Cl Amb27390104 [1,1,0,0,0,0|2,0,0]=4 2123 B9R0.53 O=C(O)CC(=O)CC(=O)O Amb6298323 [1,1,0,0,0,0|1,0,1]=4 2124 B9R0.53 O=C(O)CC(Br)CC(=O)O Amb28049987 [1,1,0,0,0,0|1,0,0]=3 2125 B9R0.53 O=C(O)CC(O)CC(=O)O Amb17615401 [1,1,0,0,0,0|1,0,0]=3 2126 B9R0.53 O=C(O)CS(=O)CC(=O)O Amb6364793 [1,1,0,0,0,0|2,0,0]=4 2127 B9R0.53 [NH3+]N(CC(=O)O)CC(=O)O Amb23453377 [1,1,0,0,0,0|2,0,0]=4 2128 B9R0.56 CP(=O)(O)CCCC(=O)O Amb24524573 [1,1,0,0,0,0|2,0,0]=4 2129 B9R0.56 CS(=O)(=O)CCCC(=O)O Amb17503668 [1,1,0,0,0,0|2,0,0]=4 2130 B9R0.56 NC(=O)CCCS(=O)(=O)Cl Amb27624625 [1,1,0,0,0,0|1,0,1]=4 2131 B9R0.56 NC(=O)CCOS(=O)(=O)O Amb27879199 [1,1,0,0,0,0|2,0,0]=4 2132 B9R0.56 NC(=O)CNCP(=O)(O)O Amb27606177 [1,1,0,0,0,0|2,0,0]=4 2133 B9R0.56 NC(=O)NCCS(=O)(=O)O Amb24710318 [1,1,0,0,0,0|2,0,0]=4 2134 B9R0.56 NP(=O)(O)CNCC(=O)O Amb27233408 [1,1,0,0,0,0|2,0,0]=4 2135 B9R0.56 NS(=O)(=O)CCCC(=O)O Amb6741827 [1,1,0,0,0,0|1,0,0]=3 2136 B9R0.56 NS(=O)(=O)CCCC(=O)[O-] Amb33513058 [1,1,0,0,0,0|1,0,1]=4 2137 B9R0.56 NS(=O)(=O)NCCC(=O)O Amb6263261 [1,1,0,0,0,0|2,0,0]=4 2138 B9R0.56 O=C(O)CCCS(=O)(=O)Cl Amb28196571 [1,1,0,0,0,0|2,0,0]=4 2139 B9R0.56 O=C(O)CCCS(=O)(=O)O Amb27471573 [1,1,0,0,0,0|2,0,0]=4 2140 B9R0.10 CP(=O)(O)C(N)CC(=O)O Amb27831332 [0,1,0,0,1,0|2,0,0]=4 2141 B9R0.10 CP(=O)(O)C(N)CC(N)=O Amb27615069 [0,1,0,0,1,0|1,0,0]=3 2142 B9R0.11 C=C(C)CC(C)(N)C(=O)O Amb27838051 [0,1,0,0,1,0|2,0,0]=4 2143 B9R0.11 C=C(F)C[C@](C)(N)C(=O)O Amb27440834 [0,1,0,0,1,0|2,0,0]=4 2144 B9R0.11 CC(=O)C(C)(C)CC(N)=O Amb26055921 [0,1,0,0,1,0|2,0,0]=4 2145 B9R0.11 CC(=O)CC(C)(C)C(=O)O Amb18644092 [0,1,0,0,1,0|2,0,0]=4 2146 B9R0.11 CC(=O)CC(C)(S)C(=O)O Amb27984551 [0,1,0,0,1,0|2,0,0]=4 2147 B9R0.11 CC(=O)C[C@](C)(O)C(=O)O Amb27170683 [0,1,0,0,1,0|2,0,0]=4 2148 B9R0.11 CC(=O)NC(C)(N)C(=O)O Amb27881127 [0,1,0,0,1,0|2,0,0]=4 2149 B9R0.11 CC(C)(CC(=O)O)C(=O)O Amb9787793 [0,1,0,0,1,0|2,0,0]=4 2150 B9R0.11 CC(C)(CC(N)=S)C(=O)O Amb27614963 [0,1,0,0,1,0|1,1,0]=4 2151 B9R0.11 CC(C)(NC(N)=O)C(=O)O Amb9825347 [0,1,0,0,1,0|2,0,0]=4 2152 B9R0.11 CC(Cl)(CC(=O)O)C(=O)O Amb18126463 [0,1,0,0,1,0|2,0,0]=4 2153 B9R0.11 CC(N)(CC(=O)O)C(=O)O Amb10807406 [0,1,0,0,1,0|1,0,0]=3 2154 B9R0.11 CC(N)(CC(=O)O)[PH](=O)O Amb25701546 [0,1,0,0,1,0|2,0,0]=4 2155 B9R0.11 CC(N)(CC(N)=O)C(=O)O Amb28131361 [0,1,0,0,1,0|0,0,0]=2 2156 B9R0.11 CC(O)(CC(=O)O)C(=O)O Amb6366309 [0,1,0,0,1,0|2,0,0]=4 2157 B9R0.11 C[C@@](N)(CC(N)=O)C(=O)O Amb22225025 [0,1,0,0,1,0|0,0,0]=2 2158 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O Amb10601663 [0,1,0,0,1,0|1,0,0]=3 2159 B9R0.11 C[C@](N)(CC(N)=O)C(=O)O Amb27195940 [0,1,0,0,1,0|0,0,0]=2 2160 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O Amb26398856 [0,1,0,0,1,0|2,0,0]=4 2161 B9R0.11 NC(=O)CC(N)(O)C(=O)O Amb27794741 [0,1,0,0,1,0|0,0,0]=2 2162 B9R0.11 NC(=O)C[C@@](N)(O)C(=O)O Amb28348701 [0,1,0,0,1,0|0,0,0]=2 2163 B9R0.11 O=C(O)CC(Cl)(Cl)C(=O)O Amb27971430 [0,1,0,0,1,0|2,0,0]=4 2164 B9R0.11 O=C(O)CC(F)(F)C(=O)O Amb2732193 [0,1,0,0,1,0|2,0,0]=4 2165 B9R0.39 CC(=O)CC(C=O)C(=O)O Amb28048038 [0,1,0,0,1,0|2,0,0]=4 2166 B9R0.39 CC(=O)NC(CN)C(=O)O Amb28128874 [0,1,0,0,1,0|2,0,0]=4 2167 B9R0.39 CC(=O)O[C@@H](CN)C(=O)O Amb27874054 [0,1,0,0,1,0|2,0,0]=4 2168 B9R0.39 CCC(CC(=O)O)C(=O)O Amb10071696 [0,1,0,0,1,0|2,0,0]=4 2169 B9R0.39 CCC(CC(C)=O)C(=O)O Amb18644109 [0,1,0,0,1,0|2,0,0]=4 2170 B9R0.39 CCC(NC(N)=O)C(=O)O Amb435947 [0,1,0,0,1,0|2,0,0]=4 2171 B9R0.39 CCC(OC(N)=O)C(=O)O Amb28283574 [0,1,0,0,1,0|2,0,0]=4 2172 B9R0.39 CC[C@@H](CC(=O)O)C(=O)O Amb27830576 [0,1,0,0,1,0|2,0,0]=4 2173 B9R0.39 CC[C@H](CC(=O)O)C(=O)O Amb24643194 [0,1,0,0,1,0|2,0,0]=4 2174 B9R0.39 CNC(CC(=O)O)C(=O)O Amb1905634 [0,1,0,0,1,0|1,0,0]=3 2175 B9R0.39 CNC(CC(=O)O)C(=O)O Amb30867747 [0,1,0,0,1,0|1,0,0]=3 2176 B9R0.39 CNC(CC(=O)O)C(C)=O Amb18611382 [0,1,0,0,1,0|2,0,0]=4 2177 B9R0.39 CNC(CC(N)=O)C(=O)O Amb18644255 [0,1,0,0,1,0|0,0,0]=2 2178 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O Amb3499450 [0,1,0,0,1,0|1,0,0]=3 2179 B9R0.39 CN[C@H](CC(=O)O)C(=O)O Amb8515692 [0,1,0,0,1,0|1,0,0]=3 2180 B9R0.39 CN[C@H](CC(N)=O)C(=O)O Amb28049962 [0,1,0,0,1,0|0,0,0]=2 2181 B9R0.39 CO[C@H](CC(=O)O)C(=O)O Amb27849552 [0,1,0,0,1,0|2,0,0]=4 2182 B9R0.39 CSC(CC(=O)O)C(=O)O Amb18646024 [0,1,0,0,1,0|2,0,0]=4 2183 B9R0.39 N=CC(CC(=O)O)C(=O)O Amb27653604 [0,1,0,0,1,0|1,0,1]=4 2184 B9R0.39 NC(=O)CC(CO)C(=O)O Amb28411495 [0,1,0,0,1,0|1,0,0]=3 2185 B9R0.39 NC(=O)CC(NO)C(=O)O Amb27168203 [0,1,0,0,1,0|0,0,0]=2 2186 B9R0.39 NC(=O)C[C@H](NO)C(=O)O Amb28364297 [0,1,0,0,1,0|0,0,0]=2 2187 B9R0.39 NC(=O)NC(CF)C(=O)O Amb28187932 [0,1,0,0,1,0|2,0,0]=4 2188 B9R0.39 NC(=O)NC(CO)C(=O)O Amb1055147 [0,1,0,0,1,0|2,0,0]=4 2189 B9R0.39 NC(=O)NC(CS)C(=O)O Amb1119403 [0,1,0,0,1,0|2,0,0]=4 2190 B9R0.39 NC(=O)N[C@@H](CF)C(=O)O Amb26454171 [0,1,0,0,1,0|2,0,0]=4 2191 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O Amb17610484 [0,1,0,0,1,0|2,0,0]=4 2192 B9R0.39 NCC(CC(=O)O)C(=O)O Amb22546423 [0,1,0,0,1,0|1,0,0]=3 2193 B9R0.39 NCC(CC(=O)O)C(=O)O Amb24538047 [0,1,0,0,1,0|1,0,0]=3 2194 B9R0.39 NNC(CC(=O)O)C(=O)O Amb28070991 [0,1,0,0,1,0|1,0,0]=3 2195 B9R0.39 NN[C@@H](CC(=O)O)C(=O)O Amb24117193 [0,1,0,0,1,0|1,0,0]=3 2196 B9R0.39 N\C=C(\CC(=O)O)C(=O)O Amb28050321 [0,1,0,0,1,0|1,0,1]=4 2197 B9R0.39 O=C(O)CC(CBr)C(=O)O Amb22752144 [0,1,0,0,1,0|2,0,0]=4 2198 B9R0.39 O=C(O)CC(CF)C(=O)O Amb33379249 [0,1,0,0,1,0|2,0,0]=4 2199 B9R0.39 O=C(O)CC(NCl)C(=O)O Amb27953217 [0,1,0,0,1,0|1,0,0]=3 2200 B9R0.39 O=C(O)CC(NO)C(=O)O Amb24685872 [0,1,0,0,1,0|1,0,0]=3 2201 B9R0.39 O=C(O)CC(NS)C(=O)O Amb25808901 [0,1,0,0,1,0|1,0,0]=3 2202 B9R0.39 O=C(O)C[C@H](NCl)C(=O)O Amb27401859 [0,1,0,0,1,0|1,0,0]=3 2203 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24117497 [0,1,0,0,1,0|1,0,0]=3 2204 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24630025 [0,1,0,0,1,0|1,0,0]=3 2205 B9R0.57 CC(CS(N)(=O)=O)C(=O)O Amb18563379 [0,1,0,0,1,0|2,0,0]=4 2206 B9R0.57 CP(=O)(O)CC(N)C(=O)O Amb27770381 [0,1,0,0,1,0|2,0,0]=4 2207 B9R0.57 CS(=O)(=O)CC(N)C(=O)O Amb27983621 [0,1,0,0,1,0|2,0,0]=4 2208 B9R0.57 CS(=O)(=O)CC(N)C(=O)O Amb32753509 [0,1,0,0,1,0|2,0,0]=4 2209 B9R0.57 CS(=O)(=O)C[C@@H](N)C(=O)O Amb27831327 [0,1,0,0,1,0|2,0,0]=4 2210 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O Amb27231797 [0,1,0,0,1,0|2,0,0]=4 2211 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O Amb32683294 [0,1,0,0,1,0|2,0,0]=4 2212 B9R0.57 NC(=O)C(N)CS(N)(=O)=O Amb18126470 [0,1,0,0,1,0|2,0,0]=4 2213 B9R0.57 NC(CP(=O)(O)O)C(=O)O Amb542762 [0,1,0,0,1,0|2,0,0]=4 2214 B9R0.57 NC(CS(=O)(=O)Cl)C(=O)O Amb28367339 [0,1,0,0,1,0|2,0,0]=4 2215 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Amb2698240 [0,1,0,0,1,0|2,0,0]=4 2216 B9R0.57 NC(CS(=O)(=O)S)C(=O)O Amb27982339 [0,1,0,0,1,0|2,0,0]=4 2217 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O Amb2719731 [0,1,0,0,1,0|2,0,0]=4 2218 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O Amb17942867 [0,1,0,0,1,0|2,0,0]=4 2219 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O Amb3940873 [0,1,0,0,1,0|2,0,0]=4 2220 B9R0.57 N[C@@H](CS(N)(=O)=O)C(=O)O Amb26342340 [0,1,0,0,1,0|1,0,0]=3 2221 B9R0.57 N[C@H](CP(=O)(O)O)C(=O)O Amb8515685 [0,1,0,0,1,0|2,0,0]=4 2222 B9R0.79 C=C(C)C(O)C(N)C(=O)O Amb33199606 [0,1,0,0,1,0|2,0,0]=4 2223 B9R0.79 CC(=O)C(C)C(N)C(=O)O Amb18202116 [0,1,0,0,1,0|1,0,0]=3 2224 B9R0.79 CC(=O)C(C)C(N)C(N)=O Amb27613013 [0,1,0,0,1,0|2,0,0]=4 2225 B9R0.79 CC(=O)C(O)C(O)C(=O)O Amb25292189 [0,1,0,0,1,0|2,0,0]=4 2226 B9R0.79 CC(=O)[C@@H](C)[C@@H](O)C(=O)O Amb27661780 [0,1,0,0,1,0|2,0,0]=4 2227 B9R0.79 CC(=O)[C@@H](C)[C@H](O)C(=O)O Amb28050113 [0,1,0,0,1,0|2,0,0]=4 2228 B9R0.79 CC(=O)[C@H](C)[C@H](N)C(=O)O Amb27424983 [0,1,0,0,1,0|1,0,0]=3 2229 B9R0.79 CC(=S)[C@H](C)[C@H](N)C(=O)O Amb26642807 [0,1,0,0,1,0|1,1,0]=4 2230 B9R0.79 CC(C(=O)O)C(Br)C(=O)O Amb2612973 [0,1,0,0,1,0|2,0,0]=4 2231 B9R0.79 CC(C(=O)O)C(C)C(=O)O Amb8513150 [0,1,0,0,1,0|2,0,0]=4 2232 B9R0.79 CC(C(=O)O)C(N)C(=O)O Amb2099482 [0,1,0,0,1,0|1,0,0]=3 2233 B9R0.79 CC(C(=O)O)C(O)C(=O)O Amb17593680 [0,1,0,0,1,0|2,0,0]=4 2234 B9R0.79 CC(C(N)=O)C(C)C(N)=O Amb28248514 [0,1,0,0,1,0|2,0,0]=4 2235 B9R0.79 C[C@@H](C(=O)O)C(N)C(=O)O Amb27877897 [0,1,0,0,1,0|1,0,0]=3 2236 B9R0.79 C[C@@H](C(=O)O)[C@@H](N)C(=O)O Amb27170727 [0,1,0,0,1,0|1,0,0]=3 2237 B9R0.79 C[C@@H](C(=O)O)[C@H](N)C(=O)O Amb25324829 [0,1,0,0,1,0|1,0,0]=3 2238 B9R0.79 C[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27243908 [0,1,0,0,1,0|2,0,0]=4 2239 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O Amb22801175 [0,1,0,0,1,0|2,0,0]=4 2240 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(N)=O Amb27771245 [0,1,0,0,1,0|1,0,0]=3 2241 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb27783086 [0,1,0,0,1,0|1,0,0]=3 2242 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb31031234 [0,1,0,0,1,0|1,0,0]=3 2243 B9R0.79 C[C@H](C(=O)O)[C@H](Br)C(=O)O Amb27463297 [0,1,0,0,1,0|2,0,0]=4 2244 B9R0.79 C[C@H](C(=O)O)[C@H](C)C(=O)O Amb27460990 [0,1,0,0,1,0|2,0,0]=4 2245 B9R0.79 C[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27955233 [0,1,0,0,1,0|2,0,0]=4 2246 B9R0.79 C[C@H](C(N)=O)[C@H](C)C(N)=O Amb27220901 [0,1,0,0,1,0|2,0,0]=4 2247 B9R0.79 NC(=O)C(N)C(N)C(=O)O Amb27424997 [0,1,0,0,1,0|0,0,0]=2 2248 B9R0.79 NC(=O)C(O)C(O)C(=O)O Amb24112928 [0,1,0,0,1,0|1,0,0]=3 2249 B9R0.79 NC(=O)C(O)C(O)C(N)=O Amb2842263 [0,1,0,0,1,0|2,0,0]=4 2250 B9R0.79 NC(=O)[C@@H](N)[C@@H](O)C(N)=O Amb27259156 [0,1,0,0,1,0|1,0,0]=3 2251 B9R0.79 NC(=O)[C@@H](N)[C@H](O)C(N)=O Amb28126957 [0,1,0,0,1,0|1,0,0]=3 2252 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(=O)O Amb24763774 [0,1,0,0,1,0|0,0,0]=2 2253 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(=O)O Amb28341817 [0,1,0,0,1,0|1,0,0]=3 2254 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(N)=O Amb24385859 [0,1,0,0,1,0|2,0,0]=4 2255 B9R0.79 NC(C(=O)O)C(F)C(=O)O Amb24061061 [0,1,0,0,1,0|1,0,0]=3 2256 B9R0.79 NC(C(=O)O)C(N)C(=O)O Amb24117894 [0,1,0,0,1,0|1,0,0]=3 2257 B9R0.79 NC(C(=O)O)C(O)C(=O)O Amb9871461 [0,1,0,0,1,0|1,0,0]=3 2258 B9R0.79 N[C@@H](C(=O)O)C(F)C(=O)O Amb27494927 [0,1,0,0,1,0|1,0,0]=3 2259 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O Amb17942870 [0,1,0,0,1,0|1,0,0]=3 2260 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27470435 [0,1,0,0,1,0|1,0,0]=3 2261 B9R0.79 N[C@H](C(=O)O)C(F)C(=O)O Amb27796116 [0,1,0,0,1,0|1,0,0]=3 2262 B9R0.79 N[C@H](C(=O)O)[C@@H](F)C(=O)O Amb27865514 [0,1,0,0,1,0|1,0,0]=3 2263 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O Amb10072362 [0,1,0,0,1,0|1,0,0]=3 2264 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24087715 [0,1,0,0,1,0|1,0,0]=3 2265 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24117974 [0,1,0,0,1,0|1,0,0]=3 2266 B9R0.79 N[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27796563 [0,1,0,0,1,0|1,0,0]=3 2267 B9R0.79 N[C@H](C(=O)O)[C@H](F)C(=O)O Amb26945975 [0,1,0,0,1,0|1,0,0]=3 2268 B9R0.79 N[C@H](C(=O)O)[C@H](N)C(=O)O Amb27173533 [0,1,0,0,1,0|1,0,0]=3 2269 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb17615140 [0,1,0,0,1,0|1,0,0]=3 2270 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb33714683 [0,1,0,0,1,0|1,0,0]=3 2271 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O Amb2686761 [0,1,0,0,1,0|2,0,0]=4 2272 B9R0.79 O=C(O)C(Cl)C(Cl)C(=O)O Amb26345874 [0,1,0,0,1,0|2,0,0]=4 2273 B9R0.79 O=C(O)C(F)C(Cl)C(=O)O Amb27875188 [0,1,0,0,1,0|2,0,0]=4 2274 B9R0.79 O=C(O)C(O)C(Cl)C(=O)O Amb17594225 [0,1,0,0,1,0|2,0,0]=4 2275 B9R0.79 O=C(O)C(O)C(F)C(=O)O Amb24479232 [0,1,0,0,1,0|2,0,0]=4 2276 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb24668916 [0,1,0,0,1,0|2,0,0]=4 2277 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb6608787 [0,1,0,0,1,0|2,0,0]=4 2278 B9R0.79 O=C(O)C(O)C(O)C(=O)S Amb28050895 [0,1,0,0,1,0|2,0,0]=4 2279 B9R0.79 O=C(O)C(S)C(S)C(=O)O Amb8627761 [0,1,0,0,1,0|2,0,0]=4 2280 B9R0.79 O=C(O)[C@@H](Cl)[C@H](O)C(=O)O Amb27845392 [0,1,0,0,1,0|2,0,0]=4 2281 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O Amb22230832 [0,1,0,0,1,0|2,0,0]=4 2282 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb17616192 [0,1,0,0,1,0|2,0,0]=4 2283 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb19884028 [0,1,0,0,1,0|2,0,0]=4 2284 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22750609 [0,1,0,0,1,0|2,0,0]=4 2285 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22756774 [0,1,0,0,1,0|2,0,0]=4 2286 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb34915014 [0,1,0,0,1,0|2,0,0]=4 2287 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb5722339 [0,1,0,0,1,0|2,0,0]=4 2288 B9R0.79 O=C(O)[C@@H](S)[C@H](S)C(=O)O Amb28195042 [0,1,0,0,1,0|2,0,0]=4 2289 B9R0.79 O=C(O)[C@H](Br)[C@H](F)C(=O)O Amb28050029 [0,1,0,0,1,0|2,0,0]=4 2290 B9R0.79 O=C(O)[C@H](F)[C@H](F)C(=O)O Amb28365940 [0,1,0,0,1,0|2,0,0]=4 2291 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb19884026 [0,1,0,0,1,0|2,0,0]=4 2292 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20240604 [0,1,0,0,1,0|2,0,0]=4 2293 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20670711 [0,1,0,0,1,0|2,0,0]=4 2294 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb34915016 [0,1,0,0,1,0|2,0,0]=4 2295 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb8628435 [0,1,0,0,1,0|2,0,0]=4 2296 B9R0.79 O=C(O)[C@H](O)[C@H](Br)C(=O)O Amb28252354 [0,1,0,0,1,0|2,0,0]=4 2297 B9R0.79 O=C(O)[C@H](O)[C@H](Cl)C(=O)O Amb27477747 [0,1,0,0,1,0|2,0,0]=4 2298 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Amb8393135 [0,1,0,0,1,0|2,0,0]=4 2299 B9R0.79 O=C([O-])C(O)C(O)C(=O)O Amb20246422 [0,1,0,0,1,0|2,0,0]=4 2300 B9R0.79 O=C([O-])C(O)C(O)C(=O)O Amb8517447 [0,1,0,0,1,0|2,0,0]=4 2301 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O Amb34915846 [0,1,0,0,1,0|2,0,0]=4 2302 B11R0.107 COC(=O)CC[C@@H](N)CC(=O)O Amb33621268 [0,1,0,0,0,1|1,0,0]=3 2303 B11R0.107 COC(=O)CC[C@@H](N)CC(=O)O Amb33744519 [0,1,0,0,0,1|1,0,0]=3 2304 B11R0.149 NC(=O)NC(=O)C(N)CC(=O)O Amb28121599 [0,1,0,0,0,1|1,0,1]=4 2305 B11R0.149 NC(CC(=O)O)C(N)CC(=O)O Amb24114097 [0,1,0,0,0,1|1,0,0]=3 2306 B11R0.109 CCC(=O)CCCC(N)C(=O)O Amb33036923 [0,1,0,0,0,1|1,0,0]=3 2307 B11R0.109 CCC(=O)CCCC(N)C(N)=O Amb33308786 [0,1,0,0,0,1|2,0,0]=4 2308 B11R0.109 CCC(=O)CCC[C@@H](N)C(=O)O Amb32864919 [0,1,0,0,0,1|1,0,0]=3 2309 B11R0.109 CCC(=O)CCC[C@H](N)C(=O)O Amb33309055 [0,1,0,0,0,1|1,0,0]=3 2310 B11R0.109 CNC(=O)CCNC(=O)C(=O)O Amb18808297 [0,1,0,0,0,1|1,0,1]=4 2311 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O Amb13884888 [0,1,0,0,0,1|1,0,0]=3 2312 B11R0.109 COC(=O)CSCC(N)C(=O)O Amb6273780 [0,1,0,0,0,1|1,0,0]=3 2313 B11R0.109 NNC(=O)CSCC(=O)C(=O)O Amb33069909 [0,1,0,0,0,1|1,0,1]=4 2314 B11R0.145 COC(=O)C(N)CCC=C(C)C Amb32940434 [0,1,0,0,0,1|2,0,0]=4 2315 B11R0.145 COC(=O)C(N)CCCC(C)=O Amb33065910 [0,1,0,0,0,1|1,0,0]=3 2316 B11R0.145 COC(=O)C(N)CCSC(C)=O Amb32666268 [0,1,0,0,0,1|1,0,0]=3 2317 B11R0.145 COC(=O)C(N)CCSC(C)=O Amb32666269 [0,1,0,0,0,1|1,0,0]=3 2318 B11R0.145 COC(=O)[C@@H](N)CCSC(C)=O Amb32653054 [0,1,0,0,0,1|1,0,0]=3 2319 B11R0.145 COC(=O)[C@@H](N)CCSC(C)=O Amb32653055 [0,1,0,0,0,1|1,0,0]=3 2320 B11R0.150 C=C(CCC(C)C(=O)O)C(=O)O Amb24065778 [0,1,0,0,0,1|2,0,0]=4 2321 B11R0.150 CC(C)=C(C)CCC(N)C(=O)O Amb33308686 [0,1,0,0,0,1|2,0,0]=4 2322 B11R0.150 CC(C)=C(C)CC[C@@H](N)C(=O)O Amb33066034 [0,1,0,0,0,1|2,0,0]=4 2323 B11R0.150 CC(C)=C(C)CC[C@H](N)C(=O)O Amb33309186 [0,1,0,0,0,1|2,0,0]=4 2324 B11R0.150 CC(SCC(=O)C(=O)O)C(N)=O Amb33069778 [0,1,0,0,0,1|1,0,1]=4 2325 B11R0.150 NC(=O)C(Br)CCC(Br)C(N)=O Amb24082357 [0,1,0,0,0,1|2,0,0]=4 2326 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O Amb10602546 [0,1,0,0,0,1|1,0,0]=3 2327 B11R0.150 O=C(O)C(Br)CCC(Br)C(=O)O Amb4036374 [0,1,0,0,0,1|2,0,0]=4 2328 B11R0.202 CC(C)(SCCC(=O)O)C(=O)O Amb17501236 [0,1,0,0,0,1|2,0,0]=4 2329 B11R0.202 NC(=O)CNCC(F)(F)C(=O)O Amb33170601 [0,1,0,0,0,1|1,0,0]=3 2330 B11R0.202 NC(=O)CSCC(F)(F)C(=O)O Amb33171151 [0,1,0,0,0,1|1,0,0]=3 2331 B11R0.273 CCC(NCCC(C)=O)C(=O)O Amb32675830 [0,1,0,0,0,1|2,0,0]=4 2332 B11R0.318 CS(=O)(=O)CCCC(N)C(=O)O Amb18189488 [0,1,0,0,0,1|2,0,0]=4 2333 B11R0.318 CS(=O)(=O)CCC[C@@H](N)C(=O)O Amb32789421 [0,1,0,0,0,1|2,0,0]=4 2334 B11R0.318 CS(=O)(=O)CCC[C@H](N)C(=O)O Amb33308913 [0,1,0,0,0,1|2,0,0]=4 2335 B11R0.318 NC(CCCP(=O)(O)O)C(=O)O Amb5722335 [0,1,0,0,0,1|2,0,0]=4 2336 B11R0.318 NC(CCCS(=O)(=O)O)C(=O)O Amb33066081 [0,1,0,0,0,1|2,0,0]=4 2337 B11R0.318 N[C@@H](CCCS(=O)(=O)O)C(=O)O Amb33066176 [0,1,0,0,0,1|2,0,0]=4 2338 B11R0.318 N[C@H](CCCS(=O)(=O)O)C(=O)O Amb33065642 [0,1,0,0,0,1|2,0,0]=4 2339 B11R0.52 CC(C)(C(=O)O)C(O)CC(=O)O Amb33548094 [0,2,0,0,0,0|2,0,0]=4 2340 B11R0.63 COC(=O)[C@@H](N)[C@@H](C)SC(C)=O Amb24117265 [0,2,0,0,0,0|2,0,0]=4 2341 B11R0.206 O=C(O)C(O)C(O)C(O)C(=O)O Amb533010 [0,2,0,0,0,0|2,0,0]=4 2342 B11R0.308 CS(=O)(=O)CC(O)C(N)C(=O)O Amb33055770 [0,2,0,0,0,0|2,0,0]=4 2343 B11R0.335 CC(C(=O)O)S(=O)(=O)CC(N)=O Amb6280778 [0,2,0,0,0,0|2,0,0]=4 2344 B11R0.169 NC(=O)C(F)(F)CC(N)C(=O)O Amb33309520 [0,2,0,0,0,0|0,0,0]=2 2345 B11R0.169 NC(CC(F)(F)C(=O)O)C(=O)O Amb16185493 [0,2,0,0,0,0|1,0,0]=3 2346 B11R0.169 N[C@@H](CC(F)(F)C(=O)O)C(=O)O Amb19375300 [0,2,0,0,0,0|1,0,0]=3 2347 B11R0.201 CNC(=O)CSC(C)(C)C(=O)O Amb17501509 [0,2,0,0,0,0|2,0,0]=4 2348 B11R0.201 CNC(=O)NCC(F)(F)C(=O)O Amb27262644 [0,2,0,0,0,0|2,0,0]=4 2349 B11R0.201 COC(=O)CCC(C)(C)C(=O)O Amb18127171 [0,2,0,0,0,0|2,0,0]=4 2350 B11R0.288 COC(=O)C(C)(C)CCC(=O)O Amb9677880 [0,2,0,0,0,0|2,0,0]=4 2351 B11R0.59 C=C(C)CCC(N)C(=O)OCC Amb33065872 [0,2,0,0,0,0|2,0,0]=4 2352 B11R0.59 CCOC(=O)C(N)CCC(C)=O Amb32864915 [0,2,0,0,0,0|1,0,0]=3 2353 B11R0.59 CCOC(=O)C(N)CCS(C)=O Amb33066328 [0,2,0,0,0,0|2,0,0]=4 2354 B11R0.59 CCOC(=O)C(N)COC(C)=O Amb33802355 [0,2,0,0,0,0|2,0,0]=4 2355 B11R0.59 CCOC(=O)[C@@H](N)CCS(C)=O Amb33802361 [0,2,0,0,0,0|2,0,0]=4 2356 B11R0.117 CCC(=O)C(C)CC(C)C(=O)O Amb32759401 [0,2,0,0,0,0|2,0,0]=4 2357 B11R0.117 COC(=O)C(C)CC(C)C(=O)O Amb18647808 [0,2,0,0,0,0|2,0,0]=4 2358 B11R0.120 COC(=O)CCC(Br)C(=O)OC Amb22500129 [0,2,0,0,0,0|2,0,0]=4 2359 B11R0.120 COC(=O)CCC(N)C(=O)OC Amb32666097 [0,2,0,0,0,0|1,0,0]=3 2360 B11R0.120 COC(=O)CCC(N)C(=O)OC Amb6366233 [0,2,0,0,0,0|1,0,0]=3 2361 B11R0.120 COC(=O)CCC(N)C(=O)OC Amb6458826 [0,2,0,0,0,0|1,0,0]=3 2362 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC Amb16183941 [0,2,0,0,0,0|1,0,0]=3 2363 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC Amb22230568 [0,2,0,0,0,0|1,0,0]=3 2364 B11R0.120 COC(=O)CC[C@@H](O)C(=O)OC Amb33620357 [0,2,0,0,0,0|2,0,0]=4 2365 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC Amb13884889 [0,2,0,0,0,0|1,0,0]=3 2366 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC Amb3940075 [0,2,0,0,0,0|1,0,0]=3 2367 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC Amb8390403 [0,2,0,0,0,0|1,0,0]=3 2368 B11R0.120 COC(=O)CC[C@H](O)C(=O)OC Amb33620358 [0,2,0,0,0,0|2,0,0]=4 2369 B11R0.120 O=C(CCC(O)C(=O)O[Na])O[Na] Amb22371817 [0,2,0,0,0,0|2,0,0]=4 2370 B11R0.290 COC(=O)C(N)CCS(C)(=O)=O Amb32620340 [0,2,0,0,0,0|2,0,0]=4 2371 B11R0.290 COC(=O)C(N)CCS(C)(=O)=O Amb9206205 [0,2,0,0,0,0|2,0,0]=4 2372 B11R0.290 COC(=O)C(N)CCS(N)(=O)=O Amb30585017 [0,2,0,0,0,0|1,0,0]=3 2373 B11R0.290 COC(=O)C(N)CCS(N)(=O)=O Amb32988154 [0,2,0,0,0,0|1,0,0]=3 2374 B11R0.290 COC(=O)[C@@H](N)CCS(C)(=O)=O Amb33804694 [0,2,0,0,0,0|2,0,0]=4 2375 B11R0.290 COC(=O)[C@@H](N)CCS(N)(=O)=O Amb32988138 [0,2,0,0,0,0|1,0,0]=3 2376 B11R0.290 COC(=O)[C@H](N)CCS(N)(=O)=O Amb32988145 [0,2,0,0,0,0|1,0,0]=3 2377 B11R0.90 CCC(SCC(=O)NC)C(=O)O Amb17501361 [0,2,0,0,0,0|2,0,0]=4 2378 B11R0.141 CCNC(=O)CC[C@@H](N)C(=O)O Amb19134042 [0,2,0,0,0,0|0,0,0]=2 2379 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O Amb8390594 [0,2,0,0,0,0|0,0,0]=2 2380 B11R0.141 CCOC(=O)CCC(Br)C(=O)O Amb32941131 [0,2,0,0,0,0|2,0,0]=4 2381 B11R0.141 CCOC(=O)CCC(Cl)C(=O)O Amb32680769 [0,2,0,0,0,0|2,0,0]=4 2382 B11R0.141 CCOC(=O)CCC(N)C(=O)O Amb6740305 [0,2,0,0,0,0|1,0,0]=3 2383 B11R0.141 CCOC(=O)CCC(O)C(=O)O Amb32941118 [0,2,0,0,0,0|2,0,0]=4 2384 B11R0.141 CCOC(=O)CC[C@@H](N)C(=O)O Amb22745269 [0,2,0,0,0,0|1,0,0]=3 2385 B11R0.141 CCOC(=O)CC[C@H](N)C(=O)O Amb8385328 [0,2,0,0,0,0|1,0,0]=3 2386 B11R0.141 [N-]=[N+]=CC(=O)CC[C@H](N)C(=O)O Amb16183956 [0,2,0,0,0,0|0,0,1]=3 2387 B11R0.302 CCS(=O)(=O)CCC(N)C(=O)O Amb4018747 [0,2,0,0,0,0|2,0,0]=4 2388 B11R0.302 CCS(=O)(=O)CC[C@@H](N)C(=O)O Amb32789514 [0,2,0,0,0,0|2,0,0]=4 2389 B11R0.302 CCS(=O)(=O)CC[C@H](N)C(=O)O Amb32788585 [0,2,0,0,0,0|2,0,0]=4 2390 B11R0.28 CC(=O)CCC(C(=O)O)C(C)C Amb533059 [0,2,0,0,0,0|2,0,0]=4 2391 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O Amb32674919 [0,2,0,0,0,0|1,0,0]=3 2392 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O Amb32674947 [0,2,0,0,0,0|1,0,0]=3 2393 B11R0.146 C=C(C)CCC(NC=O)C(=O)O Amb33036842 [0,2,0,0,0,0|2,0,0]=4 2394 B11R0.146 CC(=O)CCC(NC=O)C(=O)O Amb33309217 [0,2,0,0,0,0|1,0,0]=3 2395 B11R0.146 CCCC(CCC(C)=O)C(=O)O Amb533087 [0,2,0,0,0,0|2,0,0]=4 2396 B11R0.146 CCN[C@@H](CCC(N)=O)C(=O)O Amb16232996 [0,2,0,0,0,0|0,0,0]=2 2397 B11R0.146 CS(=O)CCC(NC=O)C(=O)O Amb33065731 [0,2,0,0,0,0|2,0,0]=4 2398 B11R0.275 CCC(CC(N)C(=O)O)C(=O)O Amb4006858 [0,2,0,0,0,0|1,0,0]=3 2399 B9R1.6 CC(=O)C1CCC=CN1 Amb25094747 [1,0,0,1,0,0|2,0,0]=4 2400 B9R1.6 O=C(O)C1CC=CCC1 Amb2695197 [1,0,0,1,0,0|2,0,0]=4 2401 B9R1.6 O=C(O)C1CC=CCN1 Amb2698158 [1,0,0,1,0,0|1,0,1]=4 2402 B9R1.6 O=C(O)C1CCCCN1 Amb6754083 [1,0,0,1,0,0|1,0,1]=4 2403 B9R1.6 O=C(O)C1CCCCN1 Amb9703161 [1,0,0,1,0,0|1,0,1]=4 2404 B9R1.6 O=C(O)C1CCCNC1 Amb6239367 [1,0,0,1,0,0|1,0,1]=4 2405 B9R1.6 O=C(O)C1CCCNC1 Amb9703145 [1,0,0,1,0,0|1,0,1]=4 2406 B9R1.6 O=C(O)C1CCOCN1 Amb28042897 [1,0,0,1,0,0|2,0,0]=4 2407 B9R1.6 O=C(O)C1CCSCN1 Amb1102215 [1,0,0,1,0,0|2,0,0]=4 2408 B9R1.6 O=C(O)C1CCSCN1 Amb22284134 [1,0,0,1,0,0|2,0,0]=4 2409 B9R1.6 O=C(O)C1CN=CNC1 Amb25146022 [1,0,0,1,0,0|2,0,0]=4 2410 B9R1.6 O=C(O)C1CN=CNC1 Amb28935019 [1,0,0,1,0,0|2,0,0]=4 2411 B9R1.6 O=C(O)[C@@H]1CC=CCC1 Amb19131346 [1,0,0,1,0,0|2,0,0]=4 2412 B9R1.6 O=C(O)[C@@H]1CCC=CN1 Amb19888332 [1,0,0,1,0,0|1,0,0]=3 2413 B9R1.6 O=C(O)[C@@H]1CCC=NN1 Amb27468483 [1,0,0,1,0,0|0,0,1]=3 2414 B9R1.6 O=C(O)[C@@H]1CCCCN1 Amb2690345 [1,0,0,1,0,0|1,0,1]=4 2415 B9R1.6 O=C(O)[C@@H]1CCCCN1 Amb8384272 [1,0,0,1,0,0|1,0,1]=4 2416 B9R1.6 O=C(O)[C@@H]1CCCNC1 Amb16232354 [1,0,0,1,0,0|1,0,1]=4 2417 B9R1.6 O=C(O)[C@@H]1CCCNC1 Amb8628966 [1,0,0,1,0,0|1,0,1]=4 2418 B9R1.6 O=C(O)[C@@H]1CCCNN1 Amb30666630 [1,0,0,1,0,0|0,0,1]=3 2419 B9R1.6 O=C(O)[C@H]1CC=CCC1 Amb17611453 [1,0,0,1,0,0|2,0,0]=4 2420 B9R1.6 O=C(O)[C@H]1CCC=CO1 Amb28070479 [1,0,0,1,0,0|2,0,0]=4 2421 B9R1.6 O=C(O)[C@H]1CCC=NN1 Amb27596226 [1,0,0,1,0,0|0,0,1]=3 2422 B9R1.6 O=C(O)[C@H]1CCCCN1 Amb2700060 [1,0,0,1,0,0|1,0,1]=4 2423 B9R1.6 O=C(O)[C@H]1CCCCN1 Amb8515100 [1,0,0,1,0,0|1,0,1]=4 2424 B9R1.6 O=C(O)[C@H]1CCCNC1 Amb8384271 [1,0,0,1,0,0|1,0,1]=4 2425 B9R1.6 O=C(O)[C@H]1CCCNC1 Amb8389307 [1,0,0,1,0,0|1,0,1]=4 2426 B9R1.6 O=C(O)[C@H]1CCCNN1 Amb27154761 [1,0,0,1,0,0|0,0,1]=3 2427 B9R1.6 O=C(O)[C@H]1CCSCN1 Amb25773953 [1,0,0,1,0,0|2,0,0]=4 2428 B9R1.23 C=C[C@@H]1C[C@H](O)C(=O)O1 Amb27853704 [1,0,0,1,0,0|2,0,0]=4 2429 B9R1.23 C=C[C@H]1C[C@@H](O)C(=O)O1 Amb27852773 [1,0,0,1,0,0|2,0,0]=4 2430 B9R1.23 CC1CC(C=O)OC1=O Amb28253804 [1,0,0,1,0,0|1,0,0]=3 2431 B9R1.23 CCC1CC(N)C(=O)O1 Amb27647519 [1,0,0,1,0,0|1,0,1]=4 2432 B9R1.23 C[C@@H]1C[C@@H](CN)OC1=O Amb27440489 [1,0,0,1,0,0|1,0,1]=4 2433 B9R1.23 NC1CC(CO)OC1=O Amb18642829 [1,0,0,1,0,0|0,0,2]=4 2434 B9R1.23 NC[C@@H]1C[C@H](N)C(=O)O1 Amb27851651 [1,0,0,1,0,0|0,0,1]=3 2435 B9R1.23 N[C@H]1C[C@@H](CO)OC1=O Amb28059280 [1,0,0,1,0,0|0,0,2]=4 2436 B9R1.23 N[C@H]1C[C@H](CBr)OC1=O Amb27233512 [1,0,0,1,0,0|1,0,1]=4 2437 B9R1.23 O=CC1CC(O)C(=O)O1 Amb27838700 [1,0,0,1,0,0|1,0,0]=3 2438 B9R1.35 C=C(C)C1CCC(=O)N1 Amb27196085 [1,0,0,1,0,0|2,0,0]=4 2439 B9R1.35 C=C1CCC(C(=O)O)C1 Amb28369274 [1,0,0,1,0,0|2,0,0]=4 2440 B9R1.35 CC(=O)C1CCC(=O)C1 Amb24423910 [1,0,0,1,0,0|2,0,0]=4 2441 B9R1.35 CC(=O)C1CCC(=O)O1 Amb3428694 [1,0,0,1,0,0|2,0,0]=4 2442 B9R1.35 CC(=O)N1CCC(=O)N1 Amb32721860 [1,0,0,1,0,0|2,0,0]=4 2443 B9R1.35 CC(=O)[C@@H]1CCC(=O)C1 Amb24407171 [1,0,0,1,0,0|2,0,0]=4 2444 B9R1.35 CC(=O)[C@@H]1CCC(=O)N1 Amb27167616 [1,0,0,1,0,0|1,0,0]=3 2445 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 Amb24182046 [1,0,0,1,0,0|2,0,0]=4 2446 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 Amb26590768 [1,0,0,1,0,0|2,0,0]=4 2447 B9R1.35 CC(=O)[C@H]1CCC(=O)N1 Amb27877407 [1,0,0,1,0,0|1,0,0]=3 2448 B9R1.35 CC1=NC(C(=O)O)CC1 Amb23438203 [1,0,0,1,0,0|1,0,1]=4 2449 B9R1.35 CC1=NC(C(=O)O)CC1 Amb32409643 [1,0,0,1,0,0|1,0,1]=4 2450 B9R1.35 CC1=NCC(C(=O)O)N1 Amb24599993 [1,0,0,1,0,0|2,0,0]=4 2451 B9R1.35 CC1=NC[C@H](C(=O)O)N1 Amb27827434 [1,0,0,1,0,0|2,0,0]=4 2452 B9R1.35 CC1=N[C@H](C(=O)O)CC1 Amb27455557 [1,0,0,1,0,0|1,0,1]=4 2453 B9R1.35 CC1CCC(C(=O)O)N1 Amb18832572 [1,0,0,1,0,0|1,0,1]=4 2454 B9R1.35 CC1CCC(C(=O)O)N1 Amb32652343 [1,0,0,1,0,0|1,0,1]=4 2455 B9R1.35 CC1CC[C@H](C(=O)O)N1 Amb22748252 [1,0,0,1,0,0|1,0,1]=4 2456 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 Amb31308105 [1,0,0,1,0,0|1,0,1]=4 2457 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Amb24399449 [1,0,0,1,0,0|1,0,1]=4 2458 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Amb32652487 [1,0,0,1,0,0|1,0,1]=4 2459 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Amb24598417 [1,0,0,1,0,0|1,0,1]=4 2460 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Amb35745779 [1,0,0,1,0,0|1,0,1]=4 2461 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 Amb33871500 [1,0,0,1,0,0|1,0,1]=4 2462 B9R1.35 N=C(N)C1CCC(=O)N1 Amb27876132 [1,0,0,1,0,0|2,0,0]=4 2463 B9R1.35 N=C(N)[C@@H]1CCC(=O)N1 Amb27817704 [1,0,0,1,0,0|2,0,0]=4 2464 B9R1.35 N=C(N)[C@H]1CCC(=O)N1 Amb27461020 [1,0,0,1,0,0|2,0,0]=4 2465 B9R1.35 NC(=O)C1CCC(=O)N1 Amb17142856 [1,0,0,1,0,0|1,0,0]=3 2466 B9R1.35 NC(=O)C1CCC(=O)O1 Amb24466803 [1,0,0,1,0,0|2,0,0]=4 2467 B9R1.35 NC(=O)C1CSC(=O)N1 Amb27595631 [1,0,0,1,0,0|2,0,0]=4 2468 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 Amb4018786 [1,0,0,1,0,0|1,0,0]=3 2469 B9R1.35 NC(=O)[C@@H]1CCC(=O)O1 Amb25146823 [1,0,0,1,0,0|2,0,0]=4 2470 B9R1.35 NC(=O)[C@H]1CCC(=O)N1 Amb27961076 [1,0,0,1,0,0|1,0,0]=3 2471 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 Amb26909560 [1,0,0,1,0,0|2,0,0]=4 2472 B9R1.35 NC1=NC(C(=O)O)CC1 Amb32718833 [1,0,0,1,0,0|0,0,1]=3 2473 B9R1.35 NC1=NC(C(=O)O)CS1 Amb6566424 [1,0,0,1,0,0|1,0,1]=4 2474 B9R1.35 NC1=N[C@@H](C(=O)O)CC1 Amb27202599 [1,0,0,1,0,0|0,0,1]=3 2475 B9R1.35 NC1=N[C@H](C(=O)O)CS1 Amb27976059 [1,0,0,1,0,0|1,0,1]=4 2476 B9R1.35 NC1CCC(C(=O)O)C1 Amb10066880 [1,0,0,1,0,0|1,0,1]=4 2477 B9R1.35 NC1CCC(C(=O)O)C1 Amb2694935 [1,0,0,1,0,0|1,0,1]=4 2478 B9R1.35 N[C@@H]1CCC(C(=O)O)C1 Amb27263056 [1,0,0,1,0,0|1,0,1]=4 2479 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 Amb10066881 [1,0,0,1,0,0|1,0,1]=4 2480 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 Amb33801942 [1,0,0,1,0,0|1,0,1]=4 2481 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Amb33801272 [1,0,0,1,0,0|1,0,1]=4 2482 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Amb8516357 [1,0,0,1,0,0|1,0,1]=4 2483 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 Amb22746692 [1,0,0,1,0,0|1,0,1]=4 2484 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 Amb8516356 [1,0,0,1,0,0|1,0,1]=4 2485 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 Amb10066883 [1,0,0,1,0,0|1,0,1]=4 2486 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 Amb22756038 [1,0,0,1,0,0|1,0,1]=4 2487 B9R1.35 O=C(O)C1CSC(=S)N1 Amb7089160 [1,0,0,1,0,0|1,1,0]=4 2488 B9R1.35 O=C(O)[C@@H]1CCC(=S)N1 Amb26857015 [1,0,0,1,0,0|0,1,0]=3 2489 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 Amb9809722 [1,0,0,1,0,0|1,1,0]=4 2490 B9R1.35 O=C(O)[C@H]1CC[C@H](O)N1 Amb27421972 [1,0,0,1,0,0|0,0,2]=4 2491 B9R1.35 O=C1C=C(C(=O)O)CC1 Amb13883804 [1,0,0,1,0,0|1,0,1]=4 2492 B9R1.35 O=C1C=CC(C(=O)O)N1 Amb27775192 [1,0,0,1,0,0|0,0,2]=4 2493 B9R1.35 O=C1CC(C(=O)O)CN1 Amb33545000 [1,0,0,1,0,0|2,0,0]=4 2494 B9R1.35 O=C1CC(C(=O)O)CO1 Amb22642307 [1,0,0,1,0,0|2,0,0]=4 2495 B9R1.35 O=C1CC(C(=O)O)CS1 Amb10073724 [1,0,0,1,0,0|2,0,0]=4 2496 B9R1.35 O=C1CCC(C(=O)Cl)C1 Amb25282784 [1,0,0,1,0,0|2,0,0]=4 2497 B9R1.35 O=C1CCC(C(=O)Cl)N1 Amb17142869 [1,0,0,1,0,0|1,0,0]=3 2498 B9R1.35 O=C1CCC(C(=O)Cl)O1 Amb24648754 [1,0,0,1,0,0|2,0,0]=4 2499 B9R1.35 O=C1CCC(C(=O)O)C1 Amb2695400 [1,0,0,1,0,0|1,0,0]=3 2500 B9R1.35 O=C1CCC(C(=O)O)N1 Amb9703102 [1,0,0,1,0,0|0,0,0]=2 2501 B9R1.35 O=C1CCC(C(=O)O)O1 Amb20623076 [1,0,0,1,0,0|1,0,0]=3 2502 B9R1.35 O=C1CCC(C(=O)O)S1 Amb23439315 [1,0,0,1,0,0|1,0,0]=3 2503 B9R1.35 O=C1CCC(C(=O)[O-])N1 Amb8514777 [1,0,0,1,0,0|0,0,1]=3 2504 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 Amb22388653 [1,0,0,1,0,0|2,0,0]=4 2505 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 Amb27254141 [1,0,0,1,0,0|1,0,0]=3 2506 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb1995036 [1,0,0,1,0,0|0,0,0]=2 2507 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb24099403 [1,0,0,1,0,0|0,0,0]=2 2508 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 Amb2722887 [1,0,0,1,0,0|1,0,0]=3 2509 B9R1.35 O=C1CC[C@@H](C(=O)[O-])N1 Amb8395173 [1,0,0,1,0,0|0,0,1]=3 2510 B9R1.35 O=C1CC[C@H](C(=O)Cl)O1 Amb22747149 [1,0,0,1,0,0|2,0,0]=4 2511 B9R1.35 O=C1CC[C@H](C(=O)O)C1 Amb22746923 [1,0,0,1,0,0|1,0,0]=3 2512 B9R1.35 O=C1CC[C@H](C(=O)O)N1 Amb2694994 [1,0,0,1,0,0|0,0,0]=2 2513 B9R1.35 O=C1CC[C@H](C(=O)O)O1 Amb2720513 [1,0,0,1,0,0|1,0,0]=3 2514 B9R1.35 O=C1CN=C(C(=O)O)N1 Amb24387402 [1,0,0,1,0,0|1,0,1]=4 2515 B9R1.35 O=C1CNC(C(=O)O)C1 Amb30625211 [1,0,0,1,0,0|2,0,0]=4 2516 B9R1.35 O=C1CNC(C(=O)O)C1 Amb8386094 [1,0,0,1,0,0|2,0,0]=4 2517 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb22747440 [1,0,0,1,0,0|2,0,0]=4 2518 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb8628977 [1,0,0,1,0,0|2,0,0]=4 2519 B9R1.35 O=C1COC(C(=O)O)C1 Amb32651713 [1,0,0,1,0,0|2,0,0]=4 2520 B9R1.35 O=C1CSC(C(=O)O)C1 Amb24061425 [1,0,0,1,0,0|2,0,0]=4 2521 B9R1.35 O=C1CSC(C(=O)O)O1 Amb25063335 [1,0,0,1,0,0|2,0,0]=4 2522 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 Amb23439643 [1,0,0,1,0,0|2,0,0]=4 2523 B9R1.35 O=C1C[C@@H](C(=O)O)CO1 Amb27253217 [1,0,0,1,0,0|2,0,0]=4 2524 B9R1.35 O=C1C[C@H](C(=O)O)CN1 Amb25946886 [1,0,0,1,0,0|2,0,0]=4 2525 B9R1.35 O=C1NC(C(=O)Cl)CO1 Amb27484689 [1,0,0,1,0,0|2,0,0]=4 2526 B9R1.35 O=C1NC(C(=O)Cl)CS1 Amb28040993 [1,0,0,1,0,0|2,0,0]=4 2527 B9R1.35 O=C1NC(C(=O)O)CO1 Amb15701690 [1,0,0,1,0,0|1,0,0]=3 2528 B9R1.35 O=C1NC(C(=O)O)CS1 Amb3319393 [1,0,0,1,0,0|1,0,0]=3 2529 B9R1.35 O=C1NCC(C(=O)O)N1 Amb2780032 [1,0,0,1,0,0|1,0,0]=3 2530 B9R1.35 O=C1NCC(C(=O)O)O1 Amb24112958 [1,0,0,1,0,0|2,0,0]=4 2531 B9R1.35 O=C1NCC(C(=O)O)S1 Amb24084914 [1,0,0,1,0,0|2,0,0]=4 2532 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 Amb3997304 [1,0,0,1,0,0|1,0,0]=3 2533 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 Amb25146207 [1,0,0,1,0,0|2,0,0]=4 2534 B9R1.35 O=C1NC[C@H](C(=O)O)N1 Amb24079612 [1,0,0,1,0,0|1,0,0]=3 2535 B9R1.35 O=C1NC[C@H](C(=O)O)O1 Amb27771494 [1,0,0,1,0,0|2,0,0]=4 2536 B9R1.35 O=C1N[C@@H](C(=O)O)CO1 Amb24340149 [1,0,0,1,0,0|1,0,0]=3 2537 B9R1.35 O=C1N[C@@H](C(=O)O)CS1 Amb537246 [1,0,0,1,0,0|1,0,0]=3 2538 B9R1.35 O=C1N[C@H](C(=O)O)CO1 Amb19517080 [1,0,0,1,0,0|1,0,0]=3 2539 B9R1.35 O=C1N[C@H](C(=O)O)CS1 Amb1157856 [1,0,0,1,0,0|1,0,0]=3 2540 B9R1.35 O=C1OCC(C(=O)O)O1 Amb25767974 [1,0,0,1,0,0|2,0,0]=4 2541 B9R1.35 O=C1SCC(C(=O)O)S1 Amb23504458 [1,0,0,1,0,0|2,0,0]=4 2542 B9R1.45 C=C1CC1C(N)C(=O)O Amb24117258 [1,0,0,1,0,0|1,0,0]=3 2543 B9R1.45 C=C1CC1C(N)C(=O)O Amb27489118 [1,0,0,1,0,0|1,0,0]=3 2544 B9R1.45 C=C1CC1C(O)C(=O)O Amb27816361 [1,0,0,1,0,0|2,0,0]=4 2545 B9R1.45 C=C1C[C@@H]1C(O)C(=O)O Amb28410295 [1,0,0,1,0,0|2,0,0]=4 2546 B9R1.45 C=C1C[C@@H]1[C@H](N)C(=O)O Amb28349320 [1,0,0,1,0,0|1,0,0]=3 2547 B9R1.45 CC1CC1C(N)C(=O)O Amb33359576 [1,0,0,1,0,0|1,0,1]=4 2548 B9R1.59 CC(=O)C1CC1CC=O Amb28058511 [1,0,0,1,0,0|2,0,0]=4 2549 B9R1.59 CC(=O)[C@@H]1C[C@@H]1CC=O Amb27229169 [1,0,0,1,0,0|2,0,0]=4 2550 B9R1.69 CC1CCC(=O)C=C1O Amb26053264 [1,0,0,1,0,0|2,0,0]=4 2551 B9R1.69 CC1CCC(=O)CC1=O Amb24053090 [1,0,0,1,0,0|2,0,0]=4 2552 B9R1.69 CC1CCC(=O)NC1=O Amb21963732 [1,0,0,1,0,0|2,0,0]=4 2553 B9R1.69 CC1CCC(=O)OC1=O Amb24117247 [1,0,0,1,0,0|1,0,0]=3 2554 B9R1.69 CC1SCC(=O)OC1=O Amb2431035 [1,0,0,1,0,0|2,0,0]=4 2555 B9R1.69 NC1=CC(=O)C(N)CN1 Amb27405218 [1,0,0,1,0,0|2,0,0]=4 2556 B9R1.69 NC1=CCC(N)C(=O)N1 Amb27655649 [1,0,0,1,0,0|1,0,1]=4 2557 B9R1.69 NC1=NC(=O)C(N)CN1 Amb28246176 [1,0,0,1,0,0|2,0,0]=4 2558 B9R1.69 NC1CCC(=O)NC1=O Amb16233835 [1,0,0,1,0,0|1,0,0]=3 2559 B9R1.69 NC1CCC(=O)NC1=O Amb20620338 [1,0,0,1,0,0|1,0,0]=3 2560 B9R1.69 NC1CCC(=O)NC1=O Amb22640986 [1,0,0,1,0,0|1,0,0]=3 2561 B9R1.69 NC1CCC(=O)NC1=O Amb30982658 [1,0,0,1,0,0|1,0,0]=3 2562 B9R1.69 NC1CCC(=O)OC1=O Amb27838431 [1,0,0,1,0,0|0,0,0]=2 2563 B9R1.69 NC1CNC(=O)NC1=O Amb28429840 [1,0,0,1,0,0|2,0,0]=4 2564 B9R1.69 N[C@@H]1CCC(=O)NC1=O Amb18536900 [1,0,0,1,0,0|1,0,0]=3 2565 B9R1.69 N[C@@H]1CCC(=O)NC1=O Amb31291118 [1,0,0,1,0,0|1,0,0]=3 2566 B9R1.69 O=C1CCC(Br)C(=O)N1 Amb22735973 [1,0,0,1,0,0|2,0,0]=4 2567 B9R1.69 O=C1CCC(Br)C(=O)O1 Amb25680134 [1,0,0,1,0,0|1,0,0]=3 2568 B9R1.69 O=C1CCC(O)C(=O)C1 Amb27409551 [1,0,0,1,0,0|2,0,0]=4 2569 B9R1.69 O=C1CC[C@H](O)C(=O)N1 Amb27954578 [1,0,0,1,0,0|2,0,0]=4 2570 B9R1.93 C#CC1CC1(N)C(=O)O Amb23456002 [1,0,0,1,0,0|1,0,1]=4 2571 B9R1.93 C=CC1CC1(N)C(=O)O Amb10068409 [1,0,0,1,0,0|1,0,0]=3 2572 B9R1.93 C=CC1CC1(N)[PH](=O)O Amb27970647 [1,0,0,1,0,0|2,0,0]=4 2573 B9R1.93 C=C[C@@H]1C[C@@]1(N)C(=O)O Amb26958678 [1,0,0,1,0,0|1,0,0]=3 2574 B9R1.93 C=C[C@@H]1C[C@]1(N)[PH](=O)O Amb27421893 [1,0,0,1,0,0|2,0,0]=4 2575 B9R1.93 C=C[C@H]1C[C@@]1(N)C(=O)O Amb27221097 [1,0,0,1,0,0|1,0,0]=3 2576 B9R1.93 C=C[C@H]1C[C@]1(N)C(=O)O Amb25105090 [1,0,0,1,0,0|1,0,0]=3 2577 B9R1.93 CCC1CC1(N)C(=O)O Amb24655862 [1,0,0,1,0,0|1,0,1]=4 2578 B9R1.93 CC[C@@H]1CC1(N)C(=O)O Amb25104706 [1,0,0,1,0,0|1,0,1]=4 2579 B9R1.93 CC[C@@H]1C[C@@]1(N)C(=O)O Amb23452849 [1,0,0,1,0,0|1,0,1]=4 2580 B9R1.93 CC[C@H]1CC1(N)C(=O)O Amb26556180 [1,0,0,1,0,0|1,0,1]=4 2581 B9R1.93 CC[C@H]1C[C@]1(N)C(=O)O Amb27961471 [1,0,0,1,0,0|1,0,1]=4 2582 B9R1.93 NC1(C(=O)O)CC1CO Amb25828351 [1,0,0,1,0,0|0,0,2]=4 2583 B9R1.93 NCC1CC1(N)C(=O)O Amb27873291 [1,0,0,1,0,0|0,0,1]=3 2584 B9R1.93 NC[C@@H]1C[C@@]1(N)C(=O)O Amb24763621 [1,0,0,1,0,0|0,0,1]=3 2585 B9R1.93 N[C@@]1(C(=O)O)C[C@H]1CO Amb26405303 [1,0,0,1,0,0|0,0,2]=4 2586 B9R1.93 N[C@]1(C(=O)O)C[C@@H]1CO Amb2694928 [1,0,0,1,0,0|0,0,2]=4 2587 B9R1.93 N[C@]1(C(=O)O)C[C@H]1CO Amb25101898 [1,0,0,1,0,0|0,0,2]=4 2588 B9R1.95 CC(=O)C1CC(C=O)C1 Amb32669290 [1,0,0,1,0,0|2,0,0]=4 2589 B9R1.95 NCC1CC(C(=O)O)C1 Amb26631130 [1,0,0,1,0,0|1,0,1]=4 2590 B9R1.95 NCC1CC(C(=O)O)C1 Amb31307793 [1,0,0,1,0,0|1,0,1]=4 2591 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 Amb34136858 [1,0,0,1,0,0|1,0,1]=4 2592 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 Amb34148892 [1,0,0,1,0,0|1,0,1]=4 2593 B9R1.95 NC[C@H]1C[C@H](C(=O)O)C1 Amb33715808 [1,0,0,1,0,0|1,0,1]=4 2594 B9R1.95 O=C[C@H]1C[C@@H](C(=O)O)C1 Amb33309677 [1,0,0,1,0,0|1,0,0]=3 2595 B9R1.110 NC(C(=O)O)C1CCC1 Amb19149365 [1,0,0,1,0,0|1,0,1]=4 2596 B9R1.110 NC(C(=O)O)C1CNC1 Amb30040080 [1,0,0,1,0,0|2,0,0]=4 2597 B9R1.110 NC(C(=O)O)C1COC1 Amb22405987 [1,0,0,1,0,0|2,0,0]=4 2598 B9R1.110 NC(C(=O)O)C1CSC1 Amb27844776 [1,0,0,1,0,0|2,0,0]=4 2599 B9R1.110 N[C@@H](C(=O)O)C1CCC1 Amb8395977 [1,0,0,1,0,0|1,0,1]=4 2600 B9R1.110 N[C@@H](C(=O)O)C1COC1 Amb22737550 [1,0,0,1,0,0|2,0,0]=4 2601 B9R1.110 N[C@H](C(=O)O)C1CCC1 Amb30633821 [1,0,0,1,0,0|1,0,1]=4 2602 B9R1.110 N[C@H](C(=O)O)C1CCC1 Amb8395976 [1,0,0,1,0,0|1,0,1]=4 2603 B9R1.110 N[C@H](C(=O)O)C1COC1 Amb22737551 [1,0,0,1,0,0|2,0,0]=4 2604 B9R1.112 NC(CC1CC1)C(=O)O Amb23399727 [1,0,0,1,0,0|1,0,1]=4 2605 B9R1.112 NC(CC1CC1)C(=O)O Amb4019455 [1,0,0,1,0,0|1,0,1]=4 2606 B9R1.112 N[C@@H](CC1CC1)C(=O)O Amb24329024 [1,0,0,1,0,0|1,0,1]=4 2607 B9R1.112 N[C@@H](C[C@H]1CO1)C(=O)O Amb28252257 [1,0,0,1,0,0|0,0,2]=4 2608 B9R1.112 N[C@H](CC1CC1)C(=O)O Amb2699114 [1,0,0,1,0,0|1,0,1]=4 2609 B9R1.159 CC1(C(=O)O)CCC1N Amb28397422 [1,0,0,1,0,0|1,0,1]=4 2610 B9R1.159 CC1CCC1(N)C(=O)O Amb23456072 [1,0,0,1,0,0|1,0,1]=4 2611 B9R1.159 C[C@@H]1CC[C@@]1(N)C(=O)O Amb26027352 [1,0,0,1,0,0|1,0,1]=4 2612 B9R1.159 C[C@@H]1CC[C@]1(N)C(=O)O Amb24586126 [1,0,0,1,0,0|1,0,1]=4 2613 B9R1.159 C[C@H]1CC[C@@]1(N)C(=O)O Amb28056437 [1,0,0,1,0,0|1,0,1]=4 2614 B9R1.159 C[C@]1(C(=O)O)CC[C@H]1N Amb27961498 [1,0,0,1,0,0|1,0,1]=4 2615 B9R1.159 NC1(C(=O)O)CCC1O Amb27482724 [1,0,0,1,0,0|0,0,2]=4 2616 B9R1.159 NC1CCC1(F)C(=O)O Amb27768660 [1,0,0,1,0,0|1,0,1]=4 2617 B9R1.159 N[C@@H]1CC[C@]1(F)C(=O)O Amb27188263 [1,0,0,1,0,0|1,0,1]=4 2618 B9R1.159 N[C@H]1CC[C@@]1(N)C(=O)O Amb27216513 [1,0,0,1,0,0|0,0,1]=3 2619 B9R1.159 N[C@]1(C(=O)O)CC[C@@H]1O Amb28058284 [1,0,0,1,0,0|0,0,2]=4 2620 B9R1.163 CC1(C(=O)O)C=CCC1 Amb18642405 [1,0,0,1,0,0|2,0,0]=4 2621 B9R1.163 CC1(C(=O)O)CCCN1 Amb15701407 [1,0,0,1,0,0|1,0,1]=4 2622 B9R1.163 CC1(C(=O)O)CCCN1 Amb22587331 [1,0,0,1,0,0|1,0,1]=4 2623 B9R1.163 C[C@@]1(C(=O)O)CCCN1 Amb10603262 [1,0,0,1,0,0|1,0,1]=4 2624 B9R1.163 C[C@@]1(C(=O)O)CCCN1 Amb22405952 [1,0,0,1,0,0|1,0,1]=4 2625 B9R1.163 C[C@]1(C(=O)O)CCCN1 Amb22406107 [1,0,0,1,0,0|1,0,1]=4 2626 B9R1.163 C[C@]1(C(=O)O)CCCN1 Amb8630480 [1,0,0,1,0,0|1,0,1]=4 2627 B9R1.163 NC1(C(=O)O)CC=CC1 Amb2683267 [1,0,0,1,0,0|1,0,1]=4 2628 B9R1.163 NC1(C(=O)O)CCCC1 Amb1838882 [1,0,0,1,0,0|1,0,1]=4 2629 B9R1.163 NC1(C(=O)O)CCNC1 Amb8630265 [1,0,0,1,0,0|2,0,0]=4 2630 B9R1.163 NC1(C(=O)O)CCOC1 Amb16232669 [1,0,0,1,0,0|2,0,0]=4 2631 B9R1.163 NC1(C(=O)O)CCOC1 Amb22274600 [1,0,0,1,0,0|2,0,0]=4 2632 B9R1.163 NC1(C(=O)O)CCSC1 Amb9724111 [1,0,0,1,0,0|2,0,0]=4 2633 B9R1.163 N[C@@]1(C(=O)O)CCNC1 Amb6893795 [1,0,0,1,0,0|2,0,0]=4 2634 B9R1.163 N[C@@]1(C(=O)O)CCOC1 Amb20241211 [1,0,0,1,0,0|2,0,0]=4 2635 B9R1.163 N[C@@]1(C(=O)O)CCSC1 Amb27972704 [1,0,0,1,0,0|2,0,0]=4 2636 B9R1.163 N[C@]1(C(=O)O)CCNC1 Amb6893796 [1,0,0,1,0,0|2,0,0]=4 2637 B9R1.163 N[C@]1(C(=O)O)CCOC1 Amb20241209 [1,0,0,1,0,0|2,0,0]=4 2638 B9R1.163 O=C(O)C1(S)CCCN1 Amb28383197 [1,0,0,1,0,0|1,0,1]=4 2639 B9R1.163 O=C(O)[C@@]1(F)CCCN1 Amb22748241 [1,0,0,1,0,0|1,0,1]=4 2640 B9R1.163 O=C(O)[C@]1(F)CCCN1 Amb27216006 [1,0,0,1,0,0|1,0,1]=4 2641 B9R1.1 O=C1CCC(CO)CN1 Amb19958990 [1,0,0,1,0,0|1,0,1]=4 2642 B9R1.1 O=CC1CCC(=O)CC1 Amb8385725 [1,0,0,1,0,0|2,0,0]=4 2643 B9R1.49 NC1CCNC(=O)CC1 Amb24689800 [1,0,0,1,0,0|1,0,1]=4 2644 B9R1.49 NC1CCNC(=O)CC1 Amb32663578 [1,0,0,1,0,0|1,0,1]=4 2645 B9R1.49 NC1CCNC(=O)CC1 Amb32663872 [1,0,0,1,0,0|1,0,1]=4 2646 B9R1.82 C=C[C@@H](C)[C@@H]1CC(=O)N1 Amb27655563 [1,0,0,1,0,0|2,0,0]=4 2647 B9R1.82 C[C@@H](C=O)C1CC(=O)N1 Amb28184488 [1,0,0,1,0,0|1,0,0]=3 2648 B9R1.82 C[C@@H](CO)[C@@H]1CC(=O)N1 Amb28059566 [1,0,0,1,0,0|1,0,1]=4 2649 B9R1.125 CC1(C=O)CCC(=O)C1 Amb28285173 [1,0,0,1,0,0|2,0,0]=4 2650 B9R1.125 CC1(C=O)CCC(=O)N1 Amb28364896 [1,0,0,1,0,0|1,0,0]=3 2651 B9R1.125 CC1(C=O)CCC(=O)O1 Amb28348513 [1,0,0,1,0,0|2,0,0]=4 2652 B9R1.125 CC1(CO)CCC(=O)N1 Amb25796503 [1,0,0,1,0,0|1,0,1]=4 2653 B9R1.125 C[C@@]1(C=O)CCC(=O)C1 Amb27798280 [1,0,0,1,0,0|2,0,0]=4 2654 B9R1.53 C=C1CC(CC(=O)O)C1 Amb35788335 [1,0,0,1,0,0|2,0,0]=4 2655 B9R1.53 CC(=O)CC1CC(=O)N1 Amb26593659 [1,0,0,1,0,0|1,0,0]=3 2656 B9R1.53 CC(=O)OC1CC(=O)N1 Amb8383894 [1,0,0,1,0,0|2,0,0]=4 2657 B9R1.53 CC(=O)O[C@@H]1CC(=O)N1 Amb27961491 [1,0,0,1,0,0|2,0,0]=4 2658 B9R1.53 CC(=O)SC1CC(=O)N1 Amb27225587 [1,0,0,1,0,0|2,0,0]=4 2659 B9R1.53 CC(O)CC1CC(=O)N1 Amb26596056 [1,0,0,1,0,0|1,0,1]=4 2660 B9R1.53 NC(=O)CC1CC(=O)N1 Amb27186130 [1,0,0,1,0,0|1,0,0]=3 2661 B9R1.53 NC1CC(CC(=O)O)C1 Amb23440231 [1,0,0,1,0,0|1,0,1]=4 2662 B9R1.53 NC1CC(CC(=O)O)C1 Amb30585228 [1,0,0,1,0,0|1,0,1]=4 2663 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 Amb23440232 [1,0,0,1,0,0|1,0,1]=4 2664 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 Amb24056536 [1,0,0,1,0,0|1,0,1]=4 2665 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 Amb23440233 [1,0,0,1,0,0|1,0,1]=4 2666 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 Amb31291707 [1,0,0,1,0,0|1,0,1]=4 2667 B9R1.53 O=C(O)CC1CC(=O)C1 Amb27493654 [1,0,0,1,0,0|1,0,0]=3 2668 B9R1.53 O=C(O)CC1CC(=O)N1 Amb24351879 [1,0,0,1,0,0|0,0,0]=2 2669 B9R1.66 O=C1CCCS(=O)(=O)N1 Amb10070303 [1,0,0,1,0,0|1,0,1]=4 2670 B9R1.161 C=C(C)C1CC1C(=O)O Amb25887453 [1,0,0,1,0,0|2,0,0]=4 2671 B9R1.161 C=C(C)[C@@H]1C[C@H]1C(=O)O Amb33199898 [1,0,0,1,0,0|2,0,0]=4 2672 B9R1.161 CC(=O)C1CC1C(C)=O Amb27861276 [1,0,0,1,0,0|2,0,0]=4 2673 B9R1.161 CC(=O)C1OC1C(N)=O Amb28383609 [1,0,0,1,0,0|2,0,0]=4 2674 B9R1.161 CC(=O)[C@@H]1C[C@H]1C(C)=O Amb28246517 [1,0,0,1,0,0|2,0,0]=4 2675 B9R1.161 CC(=O)[C@@H]1O[C@@H]1C(N)=O Amb27194051 [1,0,0,1,0,0|2,0,0]=4 2676 B9R1.161 CC(=O)[C@H]1C[C@H]1C(C)=O Amb28248083 [1,0,0,1,0,0|2,0,0]=4 2677 B9R1.161 CC(N)C1CC1C(=O)O Amb27441985 [1,0,0,1,0,0|1,0,1]=4 2678 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [1,0,0,1,0,0|0,0,0]=2 2679 B9R1.161 NC(=O)C1CC1C(N)=O Amb27661569 [1,0,0,1,0,0|1,0,0]=3 2680 B9R1.161 NC(=O)C1CC1[N+](=O)[O-] Amb27784289 [1,0,0,1,0,0|1,0,1]=4 2681 B9R1.161 NC(=O)C1OC1C(=O)O Amb25695985 [1,0,0,1,0,0|1,0,0]=3 2682 B9R1.161 NC(=O)C1OC1C(N)=O Amb28287239 [1,0,0,1,0,0|2,0,0]=4 2683 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Amb24623178 [1,0,0,1,0,0|0,0,0]=2 2684 B9R1.161 NC(=O)[C@@H]1C[C@H]1C(=O)O Amb27447217 [1,0,0,1,0,0|0,0,0]=2 2685 B9R1.161 NC(=O)[C@H]1C[C@H]1C(=O)O Amb27436130 [1,0,0,1,0,0|0,0,0]=2 2686 B9R1.161 O=C(O)C1CC1C(=O)Cl Amb26959493 [1,0,0,1,0,0|1,0,0]=3 2687 B9R1.161 O=C(O)C1CC1C(=O)O Amb1350467 [1,0,0,1,0,0|1,0,0]=3 2688 B9R1.161 O=C(O)C1CC1[N+](=O)[O-] Amb9197005 [1,0,0,1,0,0|2,0,0]=4 2689 B9R1.161 O=C(O)C1OC1C(=O)O Amb4001391 [1,0,0,1,0,0|2,0,0]=4 2690 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Amb22901897 [1,0,0,1,0,0|1,0,0]=3 2691 B9R1.161 O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-] Amb25109456 [1,0,0,1,0,0|2,0,0]=4 2692 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O Amb22799776 [1,0,0,1,0,0|2,0,0]=4 2693 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O Amb25979295 [1,0,0,1,0,0|1,0,0]=3 2694 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] Amb26439479 [1,0,0,1,0,0|2,0,0]=4 2695 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Amb3442175 [1,0,0,1,0,0|1,0,0]=3 2696 B9R1.161 O=C(O)[C@H]1O[C@@H]1C(=O)O Amb22262951 [1,0,0,1,0,0|2,0,0]=4 2697 B9R1.166 O=C(O)C1CCS1(=O)=O Amb33309510 [1,0,0,1,0,0|2,0,0]=4 2698 B9R1.152 C=C1CC(N)(C(=O)O)C1 Amb34145346 [0,0,0,1,1,0|2,0,0]=4 2699 B9R1.152 CC1(C(=O)O)CC(=O)C1 Amb22406208 [0,0,0,1,1,0|2,0,0]=4 2700 B9R1.152 O=C1CC(F)(C(=O)O)C1 Amb34136578 [0,0,0,1,1,0|2,0,0]=4 2701 B11R1.20 O=C(O)CC1=NNC(=O)CC1 Amb27946715 [0,0,0,1,0,1|0,0,2]=4 2702 B11R1.20 O=C(O)CC1CCC(=O)CC1 Amb10607825 [0,0,0,1,0,1|2,0,0]=4 2703 B11R1.20 O=C(O)CC1CCC(=O)NC1 Amb18200019 [0,0,0,1,0,1|1,0,0]=3 2704 B11R1.20 O=C(O)CC1CNC(=O)CN1 Amb24655930 [0,0,0,1,0,1|2,0,0]=4 2705 B11R1.20 O=C(O)C[C@H]1CNC(=O)CN1 Amb27473255 [0,0,0,1,0,1|2,0,0]=4 2706 B11R1.74 C[C@@H]1CC(=O)N[C@H](C(N)=O)C1 Amb27854487 [0,0,0,1,0,1|2,0,0]=4 2707 B11R1.74 NC(=O)C1CC(=O)C=C(N)C1 Amb27590253 [0,0,0,1,0,1|1,0,1]=4 2708 B11R1.74 NC1CC(=O)NC(C(=O)O)C1 Amb18199921 [0,0,0,1,0,1|2,0,0]=4 2709 B11R1.74 NC1CC(C(=O)O)CC(=O)N1 Amb28129104 [0,0,0,1,0,1|2,0,0]=4 2710 B11R1.75 CC(=O)CCC1=CC(=O)ON1 Amb27847260 [0,0,0,1,0,1|1,0,1]=4 2711 B11R1.75 CC1=CC(CCC(N)=O)NC1 Amb27841337 [0,0,0,1,0,1|2,0,0]=4 2712 B11R1.75 NC(=O)OCC1COC(=O)O1 Amb28121041 [0,0,0,1,0,1|2,0,0]=4 2713 B11R1.75 O=C(O)CCC1COC(=O)N1 Amb24358987 [0,0,0,1,0,1|2,0,0]=4 2714 B11R1.75 O=C(O)CCN1CC(=O)ON1 Amb27865614 [0,0,0,1,0,1|2,0,0]=4 2715 B11R1.75 O=C(O)CC[C@H]1COC(=O)C1 Amb28123271 [0,0,0,1,0,1|2,0,0]=4 2716 B11R1.108 CC1CC(C(=O)O)C1C(=O)O Amb26595927 [0,0,0,1,0,1|2,0,0]=4 2717 B11R1.167 CC1CCC(=O)CC1C(=O)O Amb32867785 [0,0,0,1,0,1|2,0,0]=4 2718 B11R1.167 C[C@H]1OCC(=O)N[C@@H]1C(=O)O Amb27453688 [0,0,0,1,0,1|2,0,0]=4 2719 B11R1.167 NC(=O)C1NC(=O)CCC1O Amb27209797 [0,0,0,1,0,1|2,0,0]=4 2720 B11R1.167 O=C1CC[C@H](O)[C@H](C(=O)O)N1 Amb25174915 [0,0,0,1,0,1|1,0,0]=3 2721 B11R1.645 CC1CC(=O)OC1CC(=O)O Amb28458582 [0,0,0,1,0,1|2,0,0]=4 2722 B11R1.710 O=C(O)CC1CCS(=O)(=O)N1 Amb24595350 [0,0,0,1,0,1|2,0,0]=4 2723 B11R1.711 CC(=O)CCC1CC1C(=O)O Amb25384585 [0,0,0,1,0,1|2,0,0]=4 2724 B11R1.711 CC(=O)CC[C@@H]1C[C@@H]1C(=O)O Amb25384133 [0,0,0,1,0,1|2,0,0]=4 2725 B11R1.711 CC(=O)CC[C@H]1C[C@H]1C(=O)O Amb25383057 [0,0,0,1,0,1|2,0,0]=4 2726 B11R1.740 O=C(O)CC1CC1CC(=O)O Amb4015364 [0,0,0,1,0,1|2,0,0]=4 2727 B11R1.743 CC(=O)C1CC(CC(=O)O)C1 Amb25202475 [0,0,0,1,0,1|2,0,0]=4 2728 B11R1.1039 NC1(CC(=O)O)CNC(=O)C1 Amb27634133 [0,0,0,1,0,1|2,0,0]=4 2729 B11R1.1039 O=C(O)CC1(O)CCC(=O)O1 Amb27823336 [0,0,0,1,0,1|2,0,0]=4 2730 B11R1.21 CC1SCC(C(N)=O)NC1=O Amb27658814 [0,0,0,1,0,1|2,0,0]=4 2731 B11R1.21 NC(=O)C1CCC(N)C(=O)N1 Amb24707747 [0,0,0,1,0,1|1,0,0]=3 2732 B11R1.21 NC(=O)[C@@H]1CC[C@@H](N)[C@H](O)C1 Amb24631873 [0,0,0,1,0,1|1,0,1]=4 2733 B11R1.21 NC(=O)[C@H]1CC[C@H](N)[C@@H](O)C1 Amb28062962 [0,0,0,1,0,1|1,0,1]=4 2734 B11R1.147 CC(=O)OCC1NC(=O)C1N Amb27794736 [0,0,0,1,0,1|2,0,0]=4 2735 B11R1.147 NC(=O)NC[C@@H]1NC(=O)[C@@H]1N Amb27876505 [0,0,0,1,0,1|1,0,0]=3 2736 B11R1.147 NC(=O)OCC1NC(=O)C1N Amb26372637 [0,0,0,1,0,1|1,0,0]=3 2737 B11R1.153 C=C1CN(CC(N)C(=O)O)C1 Amb35605522 [0,0,0,1,0,1|2,0,0]=4 2738 B11R1.175 CC(=O)C1CCC(C(=O)O)C1 Amb24373216 [0,0,0,1,0,1|2,0,0]=4 2739 B11R1.175 CC(=O)C1NC(C(=O)O)CS1 Amb27408644 [0,0,0,1,0,1|1,0,0]=3 2740 B11R1.175 CC(=O)N1CCC(C(=O)O)C1 Amb18949041 [0,0,0,1,0,1|2,0,0]=4 2741 B11R1.175 CC(=O)[C@@H]1CC[C@H](C(=O)O)C1 Amb28052085 [0,0,0,1,0,1|2,0,0]=4 2742 B11R1.175 CC(=O)[C@@H]1C[C@@H](C(=O)O)CO1 Amb27424004 [0,0,0,1,0,1|2,0,0]=4 2743 B11R1.175 CC(=O)[C@H]1CC[C@H](C(=O)O)C1 Amb28052084 [0,0,0,1,0,1|2,0,0]=4 2744 B11R1.175 CC(=O)[C@H]1C[C@@H](C(=O)O)CO1 Amb27221215 [0,0,0,1,0,1|2,0,0]=4 2745 B11R1.175 NC(=O)C1C=CC(C(N)=O)N1 Amb28072985 [0,0,0,1,0,1|1,0,1]=4 2746 B11R1.175 NC(=O)C1CCC(C(=O)O)C1 Amb18126050 [0,0,0,1,0,1|1,0,0]=3 2747 B11R1.175 NC(=O)C1CCC(C(=O)O)N1 Amb27397702 [0,0,0,1,0,1|0,0,0]=2 2748 B11R1.175 NC(=O)C1CCC(C(=O)O)O1 Amb25111716 [0,0,0,1,0,1|1,0,0]=3 2749 B11R1.175 NC(=O)C1CCC(C(N)=O)C1 Amb22902724 [0,0,0,1,0,1|2,0,0]=4 2750 B11R1.175 NC(=O)C1CCC(C(N)=O)S1 Amb5718735 [0,0,0,1,0,1|2,0,0]=4 2751 B11R1.175 NC(=O)[C@@H]1C=C[C@H](C(N)=O)N1 Amb27863934 [0,0,0,1,0,1|1,0,1]=4 2752 B11R1.175 NC(=O)[C@@H]1CC[C@@H](C(=O)O)N1 Amb23560427 [0,0,0,1,0,1|0,0,0]=2 2753 B11R1.175 NC(=O)[C@@H]1CC[C@@H](C(=O)O)S1 Amb23560425 [0,0,0,1,0,1|1,0,0]=3 2754 B11R1.175 NC(=O)[C@@H]1CC[C@@H](C(N)=O)N1 Amb27863644 [0,0,0,1,0,1|1,0,0]=3 2755 B11R1.175 NC(=O)[C@@H]1CC[C@H](C(=O)O)C1 Amb25983681 [0,0,0,1,0,1|1,0,0]=3 2756 B11R1.175 NC(=O)[C@@H]1CC[C@H](C(=O)O)N1 Amb23560440 [0,0,0,1,0,1|0,0,0]=2 2757 B11R1.175 NC(=O)[C@@H]1CC[C@H](C(=O)O)O1 Amb24384443 [0,0,0,1,0,1|1,0,0]=3 2758 B11R1.175 NC(=O)[C@@H]1CC[C@H](C(=O)O)S1 Amb23560409 [0,0,0,1,0,1|1,0,0]=3 2759 B11R1.175 O=C(O)C1CCC(C(=O)Cl)C1 Amb28074649 [0,0,0,1,0,1|2,0,0]=4 2760 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 Amb2221143 [0,0,0,1,0,1|2,0,0]=4 2761 B11R1.175 O=C(O)C1CCC(C(=O)O)O1 Amb18126226 [0,0,0,1,0,1|2,0,0]=4 2762 B11R1.175 O=C(O)C1CCC(C(=O)O)[Se]1 Amb2793472 [0,0,0,1,0,1|2,0,0]=4 2763 B11R1.175 O=C(O)C1CNC(C(=O)O)C1 Amb2695727 [0,0,0,1,0,1|2,0,0]=4 2764 B11R1.175 O=C(O)C1COC(C(=O)O)C1 Amb23454154 [0,0,0,1,0,1|2,0,0]=4 2765 B11R1.175 O=C(O)C1CSC(C(=O)O)C1 Amb18647960 [0,0,0,1,0,1|2,0,0]=4 2766 B11R1.175 O=C(O)C1CSC(C(=O)O)N1 Amb16203736 [0,0,0,1,0,1|1,0,0]=3 2767 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)C1 Amb27455546 [0,0,0,1,0,1|2,0,0]=4 2768 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)N1 Amb25174831 [0,0,0,1,0,1|1,0,0]=3 2769 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)O1 Amb27966839 [0,0,0,1,0,1|2,0,0]=4 2770 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)S1 Amb23560341 [0,0,0,1,0,1|2,0,0]=4 2771 B11R1.175 O=C(O)[C@@H]1CC[C@H](C(=O)O)O1 Amb17620468 [0,0,0,1,0,1|2,0,0]=4 2772 B11R1.175 O=C(O)[C@@H]1CC[C@H](C(=O)O)S1 Amb23560340 [0,0,0,1,0,1|2,0,0]=4 2773 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C(=O)O)C1 Amb24559908 [0,0,0,1,0,1|2,0,0]=4 2774 B11R1.175 O=C(O)[C@@H]1CN[C@H](C(=O)O)C1 Amb22262950 [0,0,0,1,0,1|2,0,0]=4 2775 B11R1.175 O=C(O)[C@@H]1C[C@@H](C(=O)O)CN1 Amb19930523 [0,0,0,1,0,1|2,0,0]=4 2776 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 Amb6299713 [0,0,0,1,0,1|2,0,0]=4 2777 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)C1 Amb22744933 [0,0,0,1,0,1|2,0,0]=4 2778 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)N1 Amb27195626 [0,0,0,1,0,1|1,0,0]=3 2779 B11R1.175 O=C(O)[C@H]1CN[C@@H](C(=O)O)C1 Amb26528102 [0,0,0,1,0,1|2,0,0]=4 2780 B11R1.314 CC(C(=O)O)C1CCC(=O)C1 Amb27596870 [0,0,0,1,0,1|2,0,0]=4 2781 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 Amb24741902 [0,0,0,1,0,1|1,0,0]=3 2782 B11R1.314 NC(=O)C(N)C1CCC(=O)C1 Amb27159565 [0,0,0,1,0,1|2,0,0]=4 2783 B11R1.314 NC(C(=O)O)C1CCC(=O)C1 Amb27828292 [0,0,0,1,0,1|1,0,0]=3 2784 B11R1.314 NC(C(=O)O)C1CCC(=O)O1 Amb27955898 [0,0,0,1,0,1|1,0,0]=3 2785 B11R1.314 NC(C(=O)O)C1CN=C(Cl)C1 Amb28281848 [0,0,0,1,0,1|2,0,0]=4 2786 B11R1.314 N[C@@H](C(=O)O)C1CCC(=O)C1 Amb25148224 [0,0,0,1,0,1|1,0,0]=3 2787 B11R1.314 N[C@H](C(=O)O)C1CCC(=O)C1 Amb26955070 [0,0,0,1,0,1|1,0,0]=3 2788 B11R1.314 O=C1CCC(C(O)C(=O)O)N1 Amb28121038 [0,0,0,1,0,1|1,0,0]=3 2789 B11R1.314 O=C1OC[C@H]([C@@H](O)C(=O)O)O1 Amb27966811 [0,0,0,1,0,1|2,0,0]=4 2790 B11R1.565 NC(=O)C1CCCC(=O)NC1 Amb27963105 [0,0,0,1,0,1|2,0,0]=4 2791 B11R1.565 O=C1CCC(C(=O)O)CCN1 Amb24488196 [0,0,0,1,0,1|2,0,0]=4 2792 B11R1.565 O=C1CCC(C(=O)O)CCO1 Amb22001721 [0,0,0,1,0,1|2,0,0]=4 2793 B11R1.565 O=C1CCCC(C(=O)O)CC1 Amb23399610 [0,0,0,1,0,1|2,0,0]=4 2794 B11R1.565 O=C1CCSC(C(=O)O)CN1 Amb27441231 [0,0,0,1,0,1|1,0,0]=3 2795 B11R1.667 CC1(C(=O)O)CCNC(=O)C1 Amb32668817 [0,0,0,1,0,1|2,0,0]=4 2796 B11R1.667 CC1(C(N)=O)CCCC(=O)N1 Amb27860558 [0,0,0,1,0,1|2,0,0]=4 2797 B11R1.667 C[C@@]1(C(=O)O)CCCC(=O)C1 Amb25138624 [0,0,0,1,0,1|2,0,0]=4 2798 B11R1.667 NC1(C(=O)O)CCCC(=O)C1 Amb23560233 [0,0,0,1,0,1|1,0,0]=3 2799 B11R1.667 O=C1CCCC(O)(C(=O)O)O1 Amb27760512 [0,0,0,1,0,1|2,0,0]=4 2800 B11R1.704 CC(=O)[C@@H]1C[C@H]1C(N)C(=O)O Amb27467898 [0,0,0,1,0,1|1,0,0]=3 2801 B11R1.704 NC(C(=O)O)C1CC1C(=O)O Amb24447417 [0,0,0,1,0,1|1,0,0]=3 2802 B11R1.704 NC(C(=O)O)[C@@H]1C[C@@H]1C(=O)O Amb27878614 [0,0,0,1,0,1|1,0,0]=3 2803 B11R1.704 N[C@@H](C(=O)O)C1CC1C(=O)O Amb27772027 [0,0,0,1,0,1|1,0,0]=3 2804 B11R1.704 N[C@H](C(=O)O)[C@@H]1C[C@@H]1C(=O)O Amb22352678 [0,0,0,1,0,1|1,0,0]=3 2805 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@@H]1C(=O)O Amb19930360 [0,0,0,1,0,1|1,0,0]=3 2806 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O Amb22388556 [0,0,0,1,0,1|1,0,0]=3 2807 B11R1.723 CC(=O)C1CCC1(C)C(=O)O Amb25858072 [0,0,0,1,0,1|2,0,0]=4 2808 B11R1.723 CC(=O)[C@@H]1CC[C@]1(C)C(=O)O Amb27409379 [0,0,0,1,0,1|2,0,0]=4 2809 B11R1.723 CC(=O)[C@H]1CC[C@@]1(C)C(=O)O Amb27781464 [0,0,0,1,0,1|2,0,0]=4 2810 B11R1.723 NC1(C(=O)O)CCC1C(=O)O Amb24381448 [0,0,0,1,0,1|1,0,0]=3 2811 B11R1.927 NC1(C(=O)O)CC1CC(=O)O Amb26493344 [0,0,0,1,0,1|1,0,0]=3 2812 B11R1.927 NC1(C(=O)O)CC1CC(=O)O Amb32665933 [0,0,0,1,0,1|1,0,0]=3 2813 B11R1.927 N[C@@]1(C(=O)O)C[C@H]1CC(=O)O Amb25179270 [0,0,0,1,0,1|1,0,0]=3 2814 B11R1.1041 CC1(P(=O)(O)O)CCC(=O)N1 Amb27751375 [0,1,0,1,0,0|2,0,0]=4 2815 B11R1.149 C=C1CC1C(C)C(N)C(=O)O Amb25916404 [0,1,0,1,0,0|2,0,0]=4 2816 B11R1.166 C=C1CC[C@@H](C(=O)O)[C@@H](N)C1 Amb28056027 [0,1,0,1,0,0|2,0,0]=4 2817 B11R1.166 CC(=O)C1CCC(=O)NC1=O Amb28282862 [0,1,0,1,0,0|2,0,0]=4 2818 B11R1.166 CC(=O)C1CCC(=O)NC1C Amb27848310 [0,1,0,1,0,0|2,0,0]=4 2819 B11R1.166 CC1=C(C(=O)O)CCC(=O)N1 Amb25087837 [0,1,0,1,0,0|1,0,1]=4 2820 B11R1.166 CC1=CC(=O)CCC1C(=O)O Amb25189150 [0,1,0,1,0,0|2,0,0]=4 2821 B11R1.166 CC1CC(=O)CCC1C(=O)O Amb18125961 [0,1,0,1,0,0|2,0,0]=4 2822 B11R1.166 CC1CC(=O)NCC1C(=O)O Amb25149101 [0,1,0,1,0,0|1,0,0]=3 2823 B11R1.166 CC1NC(=O)CCC1C(N)=O Amb27186417 [0,1,0,1,0,0|2,0,0]=4 2824 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O Amb24511958 [0,1,0,1,0,0|2,0,0]=4 2825 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O Amb24571688 [0,1,0,1,0,0|2,0,0]=4 2826 B11R1.166 NC(=O)C1CNC(=O)CC1O Amb27843739 [0,1,0,1,0,0|2,0,0]=4 2827 B11R1.166 O=C1NCC(C(=O)O)C(=O)N1 Amb22228347 [0,1,0,1,0,0|2,0,0]=4 2828 B11R1.313 CC1C(=O)NNC1CC(N)=O Amb29862005 [0,1,0,1,0,0|2,0,0]=4 2829 B11R1.313 NC1C(=O)NOC1CC(=O)O Amb27643083 [0,1,0,1,0,0|1,0,0]=3 2830 B11R1.490 CC1CC(=O)NC1(C)C(N)=O Amb27613221 [0,1,0,1,0,0|2,0,0]=4 2831 B11R1.490 CC1CC(=O)OC1(C)C(=O)O Amb18644983 [0,1,0,1,0,0|2,0,0]=4 2832 B11R1.519 CN1[C@@H](C(=O)O)C[C@@H]1C(=O)O Amb25295430 [0,1,0,1,0,0|1,0,0]=3 2833 B11R1.519 CN1[C@H](C(=O)O)C[C@H]1C(=O)O Amb28052125 [0,1,0,1,0,0|1,0,0]=3 2834 B11R1.672 CC(=O)C1OC(=O)C(O)C1O Amb28074805 [0,1,0,1,0,0|2,0,0]=4 2835 B11R1.672 CC1C(=O)OC(C(N)=O)C1C Amb27791768 [0,1,0,1,0,0|1,0,0]=3 2836 B11R1.672 CN1C(=O)C(N)CC1C(=O)O Amb28323541 [0,1,0,1,0,0|2,0,0]=4 2837 B11R1.672 CN1C(=O)C(N)CC1C(N)=O Amb27959204 [0,1,0,1,0,0|1,0,0]=3 2838 B11R1.672 O=C1OC(C(=O)O)C(O)C1O Amb27875078 [0,1,0,1,0,0|2,0,0]=4 2839 B11R1.708 O=C(O)CC1CNC1C(=O)O Amb28384932 [0,1,0,1,0,0|1,0,0]=3 2840 B11R1.708 O=C(O)C[C@@H]1CN[C@H]1C(=O)O Amb19131121 [0,1,0,1,0,0|1,0,0]=3 2841 B11R1.708 O=C(O)C[C@H]1CN[C@H]1C(=O)O Amb27863455 [0,1,0,1,0,0|1,0,0]=3 2842 B11R1.1106 NC(C(=O)O)C1CS(=O)(=O)C1 Amb24610746 [0,1,0,1,0,0|2,0,0]=4 2843 B11R1.1293 CC1C(C(=O)O)C1(Cl)C(=O)O Amb27945670 [0,1,0,1,0,0|2,0,0]=4 2844 B11R1.1293 C[C@@H]1[C@@H](C(=O)O)[C@]1(C)C(=O)O Amb27858781 [0,1,0,1,0,0|2,0,0]=4 2845 B11R1.1293 C[C@H]1[C@@H](C(=O)O)[C@]1(C)C(=O)O Amb27865565 [0,1,0,1,0,0|2,0,0]=4 2846 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 Amb22227990 [0,1,0,1,0,0|2,0,0]=4 2847 B11R1.220 CC1(C(=O)O)CCC(=O)NC1 Amb28284956 [0,1,0,1,0,0|1,0,0]=3 2848 B11R1.220 NC(=O)C1(N)CCC(=O)NC1 Amb27440634 [0,1,0,1,0,0|1,0,0]=3 2849 B11R1.220 NC1(C(=O)O)CCC(=O)CC1 Amb16183881 [0,1,0,1,0,0|1,0,0]=3 2850 B11R1.220 NC1(C(=O)O)CCS(=O)CC1 Amb28250020 [0,1,0,1,0,0|2,0,0]=4 2851 B11R1.220 NC1CCC(N)(C(=O)O)CC1 Amb27645400 [0,1,0,1,0,0|1,0,1]=4 2852 B11R1.220 NC1CCC(N)(C(=O)O)CC1 Amb28652943 [0,1,0,1,0,0|1,0,1]=4 2853 B11R1.220 O=C1CCC(F)(C(=O)O)CC1 Amb24533003 [0,1,0,1,0,0|2,0,0]=4 2854 B11R1.220 O=C1CCC(O)(C(=O)O)CC1 Amb27467622 [0,1,0,1,0,0|2,0,0]=4 2855 B11R1.738 NC1(C(=O)O)CCS(=O)(=O)C1 Amb24452282 [0,1,0,1,0,0|2,0,0]=4 2856 B11R1.738 NC1(C(=O)O)CCS(=O)(=O)C1 Amb32652429 [0,1,0,1,0,0|2,0,0]=4 2857 B11R1.1389 CC1(C(=O)O)CN(C(N)=O)C1 Amb27430580 [0,1,0,1,0,0|2,0,0]=4 2858 B11R1.1389 NC1(C(=O)O)CC(C(=O)O)C1 Amb23592289 [0,1,0,1,0,0|1,0,0]=3 2859 B11R1.1389 NC1(C(=O)O)CC(C(=O)O)C1 Amb35745792 [0,1,0,1,0,0|1,0,0]=3 2860 B11R1.1389 N[C@]1(C(=O)O)C[C@@H](C(=O)O)C1 Amb24468408 [0,1,0,1,0,0|1,0,0]=3 2861 B11R1.1389 N[C@]1(C(=O)O)C[C@H](C(=O)O)C1 Amb19297840 [0,1,0,1,0,0|1,0,0]=3 2862 B11R1.1389 O=C(O)C1CC(O)(C(=O)O)C1 Amb33330532 [0,1,0,1,0,0|2,0,0]=4 2863 B11R1.1389 O=C(O)[C@H]1C[C@](O)(C(=O)O)C1 Amb33210002 [0,1,0,1,0,0|2,0,0]=4 2864 B11R1.1391 CC(=O)CCC1(C(=O)O)CC1 Amb27990274 [0,1,0,1,0,0|2,0,0]=4 2865 B11R1.22 COC(=O)C1=NNC(=O)CC1 Amb19930081 [0,1,0,1,0,0|0,0,2]=4 2866 B11R1.22 COC(=O)C1C=CC(=O)CC1 Amb27948565 [0,1,0,1,0,0|2,0,0]=4 2867 B11R1.22 COC(=O)C1C=CC(=O)NN1 Amb22034487 [0,1,0,1,0,0|0,0,2]=4 2868 B11R1.22 COC(=O)C1CCC(=O)CC1 Amb4477304 [0,1,0,1,0,0|2,0,0]=4 2869 B11R1.22 COC(=O)C1CCC(=O)CO1 Amb24569287 [0,1,0,1,0,0|2,0,0]=4 2870 B11R1.22 COC(=O)C1CCC(=O)NC1 Amb19957331 [0,1,0,1,0,0|1,0,0]=3 2871 B11R1.22 COC(=O)C1CCC(=O)SC1 Amb27445750 [0,1,0,1,0,0|2,0,0]=4 2872 B11R1.22 COC(=O)C1CCC(N)=NC1 Amb24062483 [0,1,0,1,0,0|2,0,0]=4 2873 B11R1.22 COC(=O)C1CCC(N)=NC1 Amb28652915 [0,1,0,1,0,0|2,0,0]=4 2874 B11R1.22 COC(=O)C1CNC(=O)CN1 Amb24419888 [0,1,0,1,0,0|2,0,0]=4 2875 B11R1.22 COC(=O)C1CNC(=O)OC1 Amb27199734 [0,1,0,1,0,0|2,0,0]=4 2876 B11R1.22 COC(=O)[C@@H]1CCC(=O)NC1 Amb27633633 [0,1,0,1,0,0|1,0,0]=3 2877 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 Amb10608895 [0,1,0,1,0,0|2,0,0]=4 2878 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 Amb27965494 [0,1,0,1,0,0|1,0,0]=3 2879 B11R1.22 NNC(=O)C1CCC(=O)NC1 Amb27176275 [0,1,0,1,0,0|2,0,0]=4 2880 B11R1.22 N\C(=N/O)C1CCC(=O)NC1 Amb26545022 [0,1,0,1,0,0|2,0,0]=4 2881 B11R1.22 O=C1CCC(C(=O)NO)=NN1 Amb27396527 [0,1,0,1,0,0|0,0,2]=4 2882 B11R1.48 CCC1CC(C(C)=O)OC1=O Amb28121700 [0,1,0,1,0,0|2,0,0]=4 2883 B11R1.90 NC(=O)CCN1CCOC1=O Amb18787749 [0,1,0,1,0,0|2,0,0]=4 2884 B11R1.90 NC(=O)CC[C@@H]1NCOC1=O Amb28255565 [0,1,0,1,0,0|0,0,0]=2 2885 B11R1.90 NC(=O)CN[C@H]1CCOC1=O Amb27946688 [0,1,0,1,0,0|2,0,0]=4 2886 B11R1.90 NS(=O)CCC1CCOC1=O Amb32720769 [0,1,0,1,0,0|2,0,0]=4 2887 B11R1.90 O=C(O)CCC1C=NOC1=O Amb27438724 [0,1,0,1,0,0|1,0,1]=4 2888 B11R1.90 O=C(O)CCC1CCOC1=O Amb10669454 [0,1,0,1,0,0|2,0,0]=4 2889 B11R1.296 COC(=O)C(N)C1CC(=O)N1 Amb28368665 [0,1,0,1,0,0|0,0,0]=2 2890 B11R1.849 COC(=O)C1CC1CC(=O)O Amb26081648 [0,1,0,1,0,0|2,0,0]=4 2891 B11R1.849 COC(=O)[C@@H]1C[C@@H]1CS(N)=O Amb32721009 [0,1,0,1,0,0|2,0,0]=4 2892 B11R1.849 COC(=O)[C@@H]1C[C@H]1CC(=O)O Amb26660739 [0,1,0,1,0,0|2,0,0]=4 2893 B11R1.853 COC(=O)C1CC(C(=O)O)C1 Amb22504357 [0,1,0,1,0,0|2,0,0]=4 2894 B11R1.853 COC(=O)C1CC(C(=O)O)N1 Amb27176562 [0,1,0,1,0,0|1,0,0]=3 2895 B11R1.853 COC(=O)C1CC(C(=O)[O-])C1 Amb34197082 [0,1,0,1,0,0|2,0,0]=4 2896 B11R1.853 COC(=O)C1CC(C(C)=O)C1 Amb25069415 [0,1,0,1,0,0|2,0,0]=4 2897 B11R1.853 COC(=O)C1CC(C(N)=O)C1 Amb27794863 [0,1,0,1,0,0|1,0,0]=3 2898 B11R1.853 COC(=O)N1CC(C(N)=O)C1 Amb27208303 [0,1,0,1,0,0|2,0,0]=4 2899 B11R1.853 COC(=O)[C@H]1C[C@@H](C(=O)O)C1 Amb7970124 [0,1,0,1,0,0|2,0,0]=4 2900 B11R1.853 COC(=O)[C@H]1C[C@@H](C(C)=O)C1 Amb28074663 [0,1,0,1,0,0|2,0,0]=4 2901 B11R1.853 COC(=O)[C@H]1C[C@@H](C(N)=O)C1 Amb28118959 [0,1,0,1,0,0|1,0,0]=3 2902 B11R1.853 COC(=O)[C@H]1C[C@@H](S(N)=O)C1 Amb32720655 [0,1,0,1,0,0|2,0,0]=4 2903 B11R1.853 COC(=O)[C@H]1C[C@H](C(=O)O)C1 Amb26446375 [0,1,0,1,0,0|2,0,0]=4 2904 B11R1.853 COC(=O)[C@H]1C[C@H](S(N)=O)C1 Amb32720652 [0,1,0,1,0,0|2,0,0]=4 2905 B11R1.866 COC(=O)C1CCS(=O)(=O)N1 Amb26060657 [0,1,0,1,0,0|2,0,0]=4 2906 B11R1.885 CC1(\C(N)=N\O)CCC(=O)N1 Amb25923093 [0,1,0,1,0,0|2,0,0]=4 2907 B11R1.885 COC(=O)C1(C)CCC(=O)C1 Amb23454224 [0,1,0,1,0,0|2,0,0]=4 2908 B11R1.885 COC(=O)C1(C)CCC(=O)N1 Amb23596470 [0,1,0,1,0,0|1,0,0]=3 2909 B11R1.885 COC(=O)C1(C)CCC(=O)O1 Amb28410378 [0,1,0,1,0,0|2,0,0]=4 2910 B11R1.885 COC(=O)[C@@]1(C)CCC(=O)N1 Amb32676967 [0,1,0,1,0,0|1,0,0]=3 2911 B11R1.885 COC(=O)[C@]1(C)COC(=O)N1 Amb28239527 [0,1,0,1,0,0|2,0,0]=4 2912 B11R1.888 COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)O Amb33339044 [0,1,0,1,0,0|2,0,0]=4 2913 B11R1.3 O=CC1=CNC(C(=O)O)CC1 Amb33735075 [0,1,0,1,0,0|1,0,0]=3 2914 B11R1.226 CC1CC(C(=O)NN)NC1=O Amb27967270 [0,1,0,1,0,0|2,0,0]=4 2915 B11R1.226 COC(=O)C1CC(O)C(=O)O1 Amb27605255 [0,1,0,1,0,0|2,0,0]=4 2916 B11R1.226 COC(=O)[C@@H]1C[C@H](O)C(=O)O1 Amb26922301 [0,1,0,1,0,0|2,0,0]=4 2917 B11R1.226 COC(=O)[C@H]1C[C@@H](N)C(=O)N1 Amb28051811 [0,1,0,1,0,0|2,0,0]=4 2918 B11R1.226 COC(=O)[C@H]1C[C@@H](O)C(=O)O1 Amb28249106 [0,1,0,1,0,0|2,0,0]=4 2919 B11R1.226 COC(=O)[C@H]1C[C@H](N)C(=O)N1 Amb27202006 [0,1,0,1,0,0|2,0,0]=4 2920 B11R1.226 NNC(=O)C1CC(=O)N(N)C1 Amb28382235 [0,1,0,1,0,0|2,0,0]=4 2921 B11R1.868 CCC(=O)[C@@H]1C[C@@]1(C)C(=O)O Amb27440410 [0,1,0,1,0,0|2,0,0]=4 2922 B11R1.868 COC(=O)C1CC1(C)C(=O)O Amb27617493 [0,1,0,1,0,0|2,0,0]=4 2923 B11R1.868 COC(=O)[C@@H]1C[C@]1(C)C(=O)O Amb32680275 [0,1,0,1,0,0|2,0,0]=4 2924 B11R1.1073 NNC1(O)CCC(N)C(=O)O1 Amb27778444 [0,1,0,1,0,0|0,0,2]=4 2925 B11R1.1270 CN1C(=O)CCC1(C)C(=O)O Amb23515115 [0,1,0,1,0,0|1,0,0]=3 2926 B11R1.1270 CN1C(=O)CCC1(C)C(N)=O Amb23515109 [0,1,0,1,0,0|2,0,0]=4 2927 B11R1.1270 CN1C(=O)CC[C@@]1(O)C(=O)O Amb27260856 [0,1,0,1,0,0|1,0,0]=3 2928 B11R1.416 C#CC1(C(=O)O)CCC(=O)N1 Amb27408646 [0,1,0,1,0,0|1,0,0]=3 2929 B11R1.416 CCC1(C(=O)O)CCC(=O)N1 Amb27759385 [0,1,0,1,0,0|1,0,0]=3 2930 B11R1.416 CCC1(C(=O)O)CCC(=O)O1 Amb17705275 [0,1,0,1,0,0|2,0,0]=4 2931 B11R1.416 CCC1(C(=O)O)CNC(=O)N1 Amb33746214 [0,1,0,1,0,0|2,0,0]=4 2932 B11R1.416 CC[C@@]1(C(=O)O)CCC(=O)N1 Amb28137973 [0,1,0,1,0,0|1,0,0]=3 2933 B11R1.416 NCC1(C(=O)O)CCC(=O)O1 Amb25060776 [0,1,0,1,0,0|1,0,0]=3 2934 B11R1.416 O=C1CCC(CCl)(C(=O)O)O1 Amb18648181 [0,1,0,1,0,0|2,0,0]=4 2935 B11R1.416 O=C1CCC(CO)(C(=O)O)O1 Amb27816272 [0,1,0,1,0,0|2,0,0]=4 2936 B11R1.416 O=C1CC[C@@](CO)(C(=O)O)N1 Amb27845485 [0,1,0,1,0,0|1,0,0]=3 2937 B11R1.418 CS[C@@]1(C(=O)O)C[C@@H]1C(=O)O Amb28051888 [0,1,0,1,0,0|2,0,0]=4 2938 B11R1.418 O=C(O)[C@@H]1C[C@]1(CO)C(=O)O Amb27768045 [0,1,0,1,0,0|2,0,0]=4 2939 B11R1.418 O=C(O)[C@H]1C[C@@]1(CO)C(=O)O Amb26023028 [0,1,0,1,0,0|2,0,0]=4 2940 B11R1.515 CN1C(C(=O)O)CCS1(=O)=O Amb27219337 [0,1,0,1,0,0|2,0,0]=4 2941 B11R1.727 O=C(O)C1CCS(=O)(=O)CN1 Amb33299374 [0,1,0,1,0,0|2,0,0]=4 2942 B11R1.727 O=C(O)C1CCS(=O)(=O)CN1 Amb33482835 [0,1,0,1,0,0|2,0,0]=4 2943 B11R1.733 CS(=O)(=O)C1CC1(N)C(=O)O Amb23454401 [0,1,0,1,0,0|2,0,0]=4 2944 B11R1.487 CC1CC(C)(C(=O)O)OC1=O Amb25949608 [0,1,0,1,0,0|2,0,0]=4 2945 B11R1.487 CC1CC(O)(C(=O)O)OC1=O Amb27878675 [0,1,0,1,0,0|2,0,0]=4 2946 B11R1.487 C[C@]1(C(=O)O)C[C@H](N)C(=O)O1 Amb28246029 [0,1,0,1,0,0|1,0,0]=3 2947 B11R1.1387 CC1(C(N)=O)CC1(C)C(=O)O Amb27176470 [0,1,0,1,0,0|1,0,0]=3 2948 B11R1.1387 C[C@@]1(C(=O)O)C[C@@]1(C)C(=O)O Amb27195861 [0,1,0,1,0,0|2,0,0]=4 2949 B11R1.1387 C[C@]1(C(=O)O)C[C@@]1(C)C(=O)Cl Amb27489079 [0,1,0,1,0,0|2,0,0]=4 2950 B11R1.1387 C[C@]1(C(=O)O)C[C@@]1(C)C(=O)O Amb27873969 [0,1,0,1,0,0|2,0,0]=4 2951 B11R1.1387 C[C@]1(C(=O)O)C[C@@]1(Cl)C(=O)O Amb27231829 [0,1,0,1,0,0|2,0,0]=4 2952 B11R1.1387 C[C@]1(C(=O)O)C[C@]1(C)C(=O)O Amb27627524 [0,1,0,1,0,0|2,0,0]=4 2953 B11R2.1051 O=C1NC2(C(=O)O)CC1C2 Amb34199438 [0,0,0,2,0,0|1,0,0]=3 2954 B11R2.1051 O=C1NC2(C(=O)[O-])CC1C2 Amb27469812 [0,0,0,2,0,0|1,0,1]=4 2955 B11R2.113 O=C1CC(C2CCC2=O)N1 Amb32679327 [0,0,0,2,0,0|2,0,0]=4 2956 B11R2.1841 NC(=O)C12CC1(C(=O)O)C2 Amb27627116 [0,0,0,2,0,0|1,0,0]=3 2957 B11R2.1841 NC(=O)C12CC1(C(N)=O)C2 Amb26418026 [0,0,0,2,0,0|2,0,0]=4 2958 B11R2.1841 O=C(O)C12CC1(C(=O)O)C2 Amb28397896 [0,0,0,2,0,0|2,0,0]=4 2959 B11R2.411 O=C1CC2CC2(C(=O)O)N1 Amb24480704 [0,0,0,2,0,0|1,0,0]=3 2960 B11R2.411 O=C1C[C@@H]2C[C@]2(C(=O)Cl)N1 Amb28194285 [0,0,0,2,0,0|2,0,0]=4 2961 B11R2.411 O=C1C[C@@H]2C[C@]2(C(=O)O)N1 Amb27784689 [0,0,0,2,0,0|1,0,0]=3 2962 B7R0.2 C=CC(C)CC(N)=O Amb27168118 [1,0,0,0,1,0|2,0,0]=4 2963 B7R0.2 C=CC(N)CC(=O)O Amb22641963 [1,0,0,0,1,0|2,0,0]=4 2964 B7R0.2 C=CC(N)CC(=O)O Amb31307621 [1,0,0,0,1,0|2,0,0]=4 2965 B7R0.2 C=C[C@@H](N)CC(=O)O Amb28315938 [1,0,0,0,1,0|2,0,0]=4 2966 B7R0.2 CC(=O)CC(N)CO Amb27240210 [1,0,0,0,1,0|1,0,1]=4 2967 B7R0.2 CC(=O)C[C@@H](C)C=O Amb27470883 [1,0,0,0,1,0|2,0,0]=4 2968 B7R0.2 CC(=O)C[C@H](C)C=O Amb24379584 [1,0,0,0,1,0|2,0,0]=4 2969 B7R0.2 CCC(N)CC(N)=O Amb25727686 [1,0,0,0,1,0|1,0,1]=4 2970 B7R0.2 CN(C=O)CC(N)=O Amb27471534 [1,0,0,0,1,0|2,0,0]=4 2971 B7R0.2 N#CC(N)CC(N)=O Amb24122907 [1,0,0,0,1,0|1,0,1]=4 2972 B7R0.2 NC(=O)CC(Br)CO Amb28384721 [1,0,0,0,1,0|1,0,1]=4 2973 B7R0.2 NC(=O)CC(N)CCl Amb26458731 [1,0,0,0,1,0|1,0,1]=4 2974 B7R0.2 NC(=O)CC(O)CO Amb25662216 [1,0,0,0,1,0|1,0,1]=4 2975 B7R0.2 NC(=O)C[C@H](O)CO Amb8388588 [1,0,0,0,1,0|1,0,1]=4 2976 B7R0.2 NC(=O)C\C(N)=N/O Amb8559051 [1,0,0,0,1,0|1,0,1]=4 2977 B7R0.2 NC(=O)C\C(N)=N\O Amb577388 [1,0,0,0,1,0|1,0,1]=4 2978 B7R0.2 NC(C=O)CC(=O)O Amb27669608 [1,0,0,0,1,0|1,0,0]=3 2979 B7R0.2 NCC(N)CC(N)=O Amb27603845 [1,0,0,0,1,0|1,0,1]=4 2980 B7R0.2 N[C@@H](CO)CC(=O)O Amb16184020 [1,0,0,0,1,0|1,0,1]=4 2981 B7R0.2 N[C@@H](CO)CC(=O)O Amb22388520 [1,0,0,0,1,0|1,0,1]=4 2982 B7R0.2 N[C@H](C=O)CC(=O)O Amb28428447 [1,0,0,0,1,0|1,0,0]=3 2983 B7R0.2 N[C@H](CO)CC(=O)O Amb2694944 [1,0,0,0,1,0|1,0,1]=4 2984 B7R0.16 C=C(Br)C(N)C(=O)O Amb28193255 [0,0,0,0,2,0|2,0,0]=4 2985 B7R0.16 C=C(C)C(N)C(=O)O Amb18641831 [0,0,0,0,2,0|2,0,0]=4 2986 B7R0.16 C=C(C)[C@@H](N)C(=O)O Amb26012631 [0,0,0,0,2,0|2,0,0]=4 2987 B7R0.16 CC(=O)C(N)C(=O)O Amb21962887 [0,0,0,0,2,0|1,0,0]=3 2988 B7R0.16 CC(=O)C(N)C(C)=O Amb18632931 [0,0,0,0,2,0|2,0,0]=4 2989 B7R0.16 CC(=O)C(N)C(C)=O Amb6893881 [0,0,0,0,2,0|2,0,0]=4 2990 B7R0.16 CC(C(=O)O)C(=O)O Amb6600127 [0,0,0,0,2,0|2,0,0]=4 2991 B7R0.16 CC(C(N)=O)C(=O)O Amb27401562 [0,0,0,0,2,0|1,0,0]=3 2992 B7R0.16 CC(C(N)=O)C(N)=O Amb4034611 [0,0,0,0,2,0|2,0,0]=4 2993 B7R0.16 CC(N)C(N)C(=O)O Amb22728051 [0,0,0,0,2,0|1,0,1]=4 2994 B7R0.16 CC(N)[C@H](N)C(=O)O Amb25083113 [0,0,0,0,2,0|1,0,1]=4 2995 B7R0.16 CC(N)[C@H](N)C(=O)O Amb33740158 [0,0,0,0,2,0|1,0,1]=4 2996 B7R0.16 CC(O)C(N)C(N)=O Amb18641954 [0,0,0,0,2,0|1,0,1]=4 2997 B7R0.16 CC(O)C(N)C(N)=O Amb4006836 [0,0,0,0,2,0|1,0,1]=4 2998 B7R0.16 CC(O)[C@H](N)C(N)=O Amb27643319 [0,0,0,0,2,0|1,0,1]=4 2999 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O Amb22745441 [0,0,0,0,2,0|1,0,1]=4 3000 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O Amb24481409 [0,0,0,0,2,0|1,0,1]=4 3001 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O Amb17942942 [0,0,0,0,2,0|1,0,1]=4 3002 B7R0.16 C[C@H](N)[C@H](N)C(=O)O Amb17678797 [0,0,0,0,2,0|1,0,1]=4 3003 B7R0.16 C[C@H](N)[C@H](N)C(=O)O Amb26887696 [0,0,0,0,2,0|1,0,1]=4 3004 B7R0.16 C\C(O)=C(/N)C(N)=O Amb28429800 [0,0,0,0,2,0|1,0,1]=4 3005 B7R0.16 N=C(N)C(N)C(N)=O Amb27601378 [0,0,0,0,2,0|2,0,0]=4 3006 B7R0.16 NC(=O)C(Br)C(N)=O Amb23504430 [0,0,0,0,2,0|2,0,0]=4 3007 B7R0.16 NC(=O)C(F)C(N)=O Amb27948525 [0,0,0,0,2,0|2,0,0]=4 3008 B7R0.16 NC(=O)C(N)C(N)=O Amb518675 [0,0,0,0,2,0|1,0,0]=3 3009 B7R0.16 NC(=O)C(O)C(N)=O Amb27212957 [0,0,0,0,2,0|2,0,0]=4 3010 B7R0.16 NC(=O)C([Na])C(N)=O Amb27838298 [0,0,0,0,2,0|2,0,0]=4 3011 B7R0.16 NC(=O)[C@H](N)C(=O)O Amb28397054 [0,0,0,0,2,0|0,0,0]=2 3012 B7R0.16 NC(C(=O)O)C(=O)O Amb10603956 [0,0,0,0,2,0|1,0,0]=3 3013 B7R0.16 N[C@@H](C(=O)O)S(=O)O Amb28125643 [0,0,0,0,2,0|2,0,0]=4 3014 B7R0.16 O=C(O)C(Br)C(=O)O Amb17594708 [0,0,0,0,2,0|2,0,0]=4 3015 B7R0.16 O=C(O)C(F)C(=O)O Amb24055884 [0,0,0,0,2,0|2,0,0]=4 3016 B7R0.16 O=C(O)C(O)C(=O)O Amb1215315 [0,0,0,0,2,0|2,0,0]=4 3017 B7R0.16 O=C(O)C(S)C(=O)O Amb28346986 [0,0,0,0,2,0|2,0,0]=4 3018 B9R0.4 C=CCCC(N)CC(=O)O Amb22641959 [1,0,0,0,0,1|1,0,0]=3 3019 B9R0.4 C=CCCC(N)CC(=O)O Amb31307612 [1,0,0,0,0,1|1,0,0]=3 3020 B9R0.4 C=CCCC(N)CC(N)=O Amb25367476 [1,0,0,0,0,1|2,0,0]=4 3021 B9R0.4 C=CCC[C@@H](C)CC(=O)O Amb27390713 [1,0,0,0,0,1|2,0,0]=4 3022 B9R0.4 C=CCC[C@H](N)CC(=O)O Amb10066917 [1,0,0,0,0,1|1,0,0]=3 3023 B9R0.4 CC(=O)CC(C)CCC=O Amb27838122 [1,0,0,0,0,1|2,0,0]=4 3024 B9R0.4 CC(CCC=O)CC(=O)O Amb28251065 [1,0,0,0,0,1|1,0,0]=3 3025 B9R0.4 CCCCC(N)CC(=O)O Amb1993866 [1,0,0,0,0,1|1,0,1]=4 3026 B9R0.4 CCCCC(N)CC(=O)O Amb31307613 [1,0,0,0,0,1|1,0,1]=4 3027 B9R0.4 CCCC[C@@H](N)CC(=O)O Amb26612752 [1,0,0,0,0,1|1,0,1]=4 3028 B9R0.4 CCCC[C@@H](N)CC(=O)O Amb32663769 [1,0,0,0,0,1|1,0,1]=4 3029 B9R0.4 CCCC[C@H](N)CC(=O)O Amb27154618 [1,0,0,0,0,1|1,0,1]=4 3030 B9R0.4 CNCC[C@@H](N)CC(=O)O Amb24117036 [1,0,0,0,0,1|2,0,0]=4 3031 B9R0.4 COCCC(N)CC(=O)O Amb32687893 [1,0,0,0,0,1|2,0,0]=4 3032 B9R0.4 CSCCC(N)CC(=O)O Amb22353181 [1,0,0,0,0,1|2,0,0]=4 3033 B9R0.4 CSCCC(N)CC(=O)O Amb30666600 [1,0,0,0,0,1|2,0,0]=4 3034 B9R0.4 CSCC[C@@H](N)CC(=O)O Amb26930581 [1,0,0,0,0,1|2,0,0]=4 3035 B9R0.4 CSCC[C@H](N)CC(=O)O Amb16184019 [1,0,0,0,0,1|2,0,0]=4 3036 B9R0.4 C[C@@H](CCC=O)CC(=O)O Amb27614920 [1,0,0,0,0,1|1,0,0]=3 3037 B9R0.4 NCCCC(N)CC(=O)O Amb18644278 [1,0,0,0,0,1|0,0,1]=3 3038 B9R0.4 NCCCC(N)CC(=O)O Amb32753541 [1,0,0,0,0,1|0,0,1]=3 3039 B9R0.4 NCCC[C@@H](N)CC(=O)O Amb24117039 [1,0,0,0,0,1|0,0,1]=3 3040 B9R0.4 NCCC[C@@H](N)CC(=O)O Amb24117927 [1,0,0,0,0,1|0,0,1]=3 3041 B9R0.4 NCCC[C@H](N)CC(=O)O Amb25757485 [1,0,0,0,0,1|0,0,1]=3 3042 B9R0.4 NCCC[C@H](N)CC(=O)O Amb32684506 [1,0,0,0,0,1|0,0,1]=3 3043 B9R0.55 C=C(Br)CCCCC(N)=O Amb27449194 [1,0,0,0,0,1|2,0,0]=4 3044 B9R0.55 C=C(C)CCNCC(N)=O Amb27615175 [1,0,0,0,0,1|2,0,0]=4 3045 B9R0.55 C=C(C)CCOCC(N)=O Amb28282201 [1,0,0,0,0,1|2,0,0]=4 3046 B9R0.55 C=C(C)COCCC(=O)O Amb27882463 [1,0,0,0,0,1|2,0,0]=4 3047 B9R0.55 C=C(Cl)CNCCC(=O)O Amb9326413 [1,0,0,0,0,1|2,0,0]=4 3048 B9R0.55 C=C(F)CCCCC(=O)O Amb27949889 [1,0,0,0,0,1|2,0,0]=4 3049 B9R0.55 CC(=O)CCCCC(=O)O Amb3939946 [1,0,0,0,0,1|1,0,0]=3 3050 B9R0.55 CC(=O)CCCCC(C)=O Amb17593600 [1,0,0,0,0,1|2,0,0]=4 3051 B9R0.55 CC(=O)CCCNC(C)=O Amb28194645 [1,0,0,0,0,1|2,0,0]=4 3052 B9R0.55 CC(=O)CCCOC(C)=O Amb1033031 [1,0,0,0,0,1|2,0,0]=4 3053 B9R0.55 CC(=O)CCNCC(=O)O Amb32675828 [1,0,0,0,0,1|1,0,0]=3 3054 B9R0.55 CC(=O)CCOCC(=O)O Amb27241199 [1,0,0,0,0,1|1,0,0]=3 3055 B9R0.55 CC(=O)CCSCC(=O)O Amb24443138 [1,0,0,0,0,1|1,0,0]=3 3056 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [1,0,0,0,0,1|1,0,1]=4 3057 B9R0.55 CC(=O)CSCCC(N)=S Amb17503258 [1,0,0,0,0,1|1,1,0]=4 3058 B9R0.55 CC(=O)NCCCC(=N)N Amb27461138 [1,0,0,0,0,1|2,0,0]=4 3059 B9R0.55 CC(=O)NCCCC(=O)O Amb2778749 [1,0,0,0,0,1|1,0,0]=3 3060 B9R0.55 CC(=O)NOCCC(=O)O Amb27252126 [1,0,0,0,0,1|2,0,0]=4 3061 B9R0.55 CC(=O)OCCCC(=O)O Amb24480808 [1,0,0,0,0,1|1,0,0]=3 3062 B9R0.55 CC(=O)OCCCS(N)=O Amb32720406 [1,0,0,0,0,1|2,0,0]=4 3063 B9R0.55 CC(=O)OCCOC(N)=O Amb27168669 [1,0,0,0,0,1|2,0,0]=4 3064 B9R0.55 CC(=O)SCCCC(=O)O Amb26356321 [1,0,0,0,0,1|1,0,0]=3 3065 B9R0.55 CC(C)=CCCCC(N)=O Amb27390535 [1,0,0,0,0,1|2,0,0]=4 3066 B9R0.55 CC(N)CCCCC(=O)O Amb18644199 [1,0,0,0,0,1|1,0,1]=4 3067 B9R0.55 CC(N)CCCCC(=O)O Amb19515386 [1,0,0,0,0,1|1,0,1]=4 3068 B9R0.55 CC(N)CCSCC(=O)O Amb27436369 [1,0,0,0,0,1|1,0,1]=4 3069 B9R0.55 CC(O)CSCCC(N)=O Amb27976132 [1,0,0,0,0,1|1,0,1]=4 3070 B9R0.55 CS(=O)CCCCC(=O)O Amb18788305 [1,0,0,0,0,1|2,0,0]=4 3071 B9R0.55 CS(=O)CCNCC(N)=O Amb28140353 [1,0,0,0,0,1|2,0,0]=4 3072 B9R0.55 CS(=O)CCSCC(=O)O Amb27236300 [1,0,0,0,0,1|2,0,0]=4 3073 B9R0.55 C[C@@H](N)CCCCC(=O)O Amb25877255 [1,0,0,0,0,1|1,0,1]=4 3074 B9R0.55 C[C@@H](O)CSCCC(N)=O Amb27795743 [1,0,0,0,0,1|1,0,1]=4 3075 B9R0.55 C[C@H](O)CNCCC(N)=O Amb27464472 [1,0,0,0,0,1|1,0,1]=4 3076 B9R0.55 C[C@H](O)CSCCC(N)=O Amb28195669 [1,0,0,0,0,1|1,0,1]=4 3077 B9R0.55 C\C(Br)=C/CCCC(=O)O Amb27798317 [1,0,0,0,0,1|2,0,0]=4 3078 B9R0.55 N=C(N)CSCCC(N)=O Amb27469951 [1,0,0,0,0,1|2,0,0]=4 3079 B9R0.55 N=C(N)NCCCC(=O)O Amb9813713 [1,0,0,0,0,1|1,0,0]=3 3080 B9R0.55 N=C(N)NCCCC(N)=O Amb24477974 [1,0,0,0,0,1|2,0,0]=4 3081 B9R0.55 NC(=O)CCCCC(=O)O Amb9391119 [1,0,0,0,0,1|0,0,0]=2 3082 B9R0.55 NC(=O)CCCCC(N)=O Amb2793081 [1,0,0,0,0,1|1,0,0]=3 3083 B9R0.55 NC(=O)CNOCC(N)=O Amb27194913 [1,0,0,0,0,1|2,0,0]=4 3084 B9R0.55 NC(=O)CONCC(=O)O Amb27215866 [1,0,0,0,0,1|1,0,0]=3 3085 B9R0.55 NC(=O)CSCCC(=O)O Amb6664956 [1,0,0,0,0,1|0,0,0]=2 3086 B9R0.55 NC(=O)NCCCB(O)O Amb28198903 [1,0,0,0,0,1|1,0,1]=4 3087 B9R0.55 NC(=O)NCCCC(=O)O Amb1104859 [1,0,0,0,0,1|0,0,0]=2 3088 B9R0.55 NC(=O)NCCNC(N)=O Amb1146040 [1,0,0,0,0,1|2,0,0]=4 3089 B9R0.55 NC(=O)NCNCC(=O)O Amb27446531 [1,0,0,0,0,1|1,0,0]=3 3090 B9R0.55 NC(=O)NC\C=C\C(=O)O Amb27817537 [1,0,0,0,0,1|0,0,2]=4 3091 B9R0.55 NC(=O)N\N=C\CC(=O)O Amb28366218 [1,0,0,0,0,1|1,0,1]=4 3092 B9R0.55 NC(=S)NCCCC(=O)O Amb27649643 [1,0,0,0,0,1|0,1,0]=3 3093 B9R0.55 O=C(Cl)CCCCC(=O)Cl Amb3940243 [1,0,0,0,0,1|2,0,0]=4 3094 B9R0.55 O=C(O)C#CCCC(=O)O Amb28050167 [1,0,0,0,0,1|1,0,1]=4 3095 B9R0.55 O=C(O)CCCC=C(F)F Amb27831187 [1,0,0,0,0,1|2,0,0]=4 3096 B9R0.55 O=C(O)CCCCC(=O)Cl Amb27614847 [1,0,0,0,0,1|1,0,0]=3 3097 B9R0.55 O=C(O)CCCCC(=O)O Amb22167453 [1,0,0,0,0,1|1,0,0]=3 3098 B9R0.55 O=C(O)CCCCC(=O)O Amb22336279 [1,0,0,0,0,1|1,0,0]=3 3099 B9R0.55 O=C(O)CCCCC(=O)O Amb2793031 [1,0,0,0,0,1|1,0,0]=3 3100 B9R0.55 O=C(O)CCNCC(=O)O Amb18098292 [1,0,0,0,0,1|1,0,0]=3 3101 B9R0.55 O=C(O)CNNCC(=O)O Amb23438062 [1,0,0,0,0,1|2,0,0]=4 3102 B9R0.55 O=C(O)CSSCC(=O)O Amb8395267 [1,0,0,0,0,1|2,0,0]=4 3103 B9R0.55 O=C(O)C\C=C\CC(=O)O Amb4037278 [1,0,0,0,0,1|1,0,1]=4 3104 B9R0.55 O=C(O)C\N=N/CC(=O)O Amb28188728 [1,0,0,0,0,1|2,0,0]=4 3105 B9R0.55 O=C(O)C\N=N\CC(=O)O Amb27882019 [1,0,0,0,0,1|2,0,0]=4 3106 B9R0.55 O=C(O)\C=C\CCC(=O)O Amb20622952 [1,0,0,0,0,1|1,0,1]=4 3107 B9R0.55 O=C([O-])CCCCC(=O)[O-] Amb22168121 [1,0,0,0,0,1|1,0,1]=4 3108 B11R0.85 NC(CCC(=O)O)CCC(=O)O Amb32664379 [0,0,0,0,0,2|1,0,0]=3 3109 B11R0.85 NC(CCC(=O)O)CCC(=O)O Amb33473618 [0,0,0,0,0,2|1,0,0]=3 3110 B11R0.29 CC(=O)CCCCC(N)C(=O)O Amb33065945 [0,0,0,0,0,2|1,0,0]=3 3111 B11R0.29 CC(=O)CCCCC(N)C(N)=O Amb33308578 [0,0,0,0,0,2|2,0,0]=4 3112 B11R0.29 CC(=O)CCCC[C@@H](N)C(=O)O Amb33066091 [0,0,0,0,0,2|1,0,0]=3 3113 B11R0.29 CC(=O)CCCC[C@H](N)C(=O)O Amb33037049 [0,0,0,0,0,2|1,0,0]=3 3114 B11R0.29 CC(=O)NCCNC(C)C(=O)O Amb33068968 [0,0,0,0,0,2|2,0,0]=4 3115 B11R0.29 CC(=O)NCCNC(C)C(=O)O Amb9326973 [0,0,0,0,0,2|2,0,0]=4 3116 B11R0.29 CC(=O)NCSCC(N)C(=O)O Amb30623754 [0,0,0,0,0,2|1,0,0]=3 3117 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O Amb22745261 [0,0,0,0,0,2|1,0,0]=3 3118 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O Amb23438964 [0,0,0,0,0,2|1,0,0]=3 3119 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O Amb22349445 [0,0,0,0,0,2|1,0,0]=3 3120 B11R0.29 CC(C)=CCSCC(N)C(=O)O Amb9726238 [0,0,0,0,0,2|2,0,0]=4 3121 B11R0.29 CC(C)=CCSC[C@H](N)C(=O)O Amb30584848 [0,0,0,0,0,2|2,0,0]=4 3122 B11R0.29 CC(SCCCC(=O)O)C(=O)O Amb17503620 [0,0,0,0,0,2|2,0,0]=4 3123 B11R0.29 N=C(N)NCCCC(N)C(=O)O Amb1151252 [0,0,0,0,0,2|1,0,0]=3 3124 B11R0.29 N=C(N)NCCCC(N)C(=O)O Amb32644498 [0,0,0,0,0,2|1,0,0]=3 3125 B11R0.29 N=C(N)NCCCC(N)C(=O)O Amb32664990 [0,0,0,0,0,2|1,0,0]=3 3126 B11R0.29 N=C(N)NCCCC(N)C(=O)O Amb6609047 [0,0,0,0,0,2|1,0,0]=3 3127 B11R0.29 N=C(N)NCCCC(N)C(=O)O Amb8387122 [0,0,0,0,0,2|1,0,0]=3 3128 B11R0.29 N=C(N)NCCCC(O)C(=O)O Amb22730085 [0,0,0,0,0,2|2,0,0]=4 3129 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb22745064 [0,0,0,0,0,2|1,0,0]=3 3130 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb22745189 [0,0,0,0,0,2|1,0,0]=3 3131 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb22745210 [0,0,0,0,0,2|1,0,0]=3 3132 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb22745921 [0,0,0,0,0,2|1,0,0]=3 3133 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb22801409 [0,0,0,0,0,2|1,0,0]=3 3134 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb2718762 [0,0,0,0,0,2|1,0,0]=3 3135 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb2720084 [0,0,0,0,0,2|1,0,0]=3 3136 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb32411788 [0,0,0,0,0,2|1,0,0]=3 3137 B11R0.29 N=C(N)NCCC[C@@H](N)C(N)=O Amb8390378 [0,0,0,0,0,2|2,0,0]=4 3138 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb16232497 [0,0,0,0,0,2|1,0,0]=3 3139 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb17942891 [0,0,0,0,0,2|1,0,0]=3 3140 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb2698266 [0,0,0,0,0,2|1,0,0]=3 3141 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb2759781 [0,0,0,0,0,2|1,0,0]=3 3142 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb32644822 [0,0,0,0,0,2|1,0,0]=3 3143 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb3940700 [0,0,0,0,0,2|1,0,0]=3 3144 B11R0.29 N=C(N)NCCC[C@H](N)C(N)=O Amb16232536 [0,0,0,0,0,2|2,0,0]=4 3145 B11R0.29 N=C(N)NOCCC(N)C(=O)O Amb22261558 [0,0,0,0,0,2|1,0,0]=3 3146 B11R0.29 NC(=O)CCSCC(=O)C(=O)O Amb33069777 [0,0,0,0,0,2|1,0,1]=4 3147 B11R0.29 NC(=O)NCCCC(N)C(=O)O Amb3499394 [0,0,0,0,0,2|0,0,0]=2 3148 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O Amb8629519 [0,0,0,0,0,2|0,0,0]=2 3149 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Amb22169596 [0,0,0,0,0,2|0,0,0]=2 3150 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Amb2718751 [0,0,0,0,0,2|0,0,0]=2 3151 B11R0.29 NC(CCCCC(=O)O)C(=O)O Amb2760482 [0,0,0,0,0,2|1,0,0]=3 3152 B11R0.29 NC(CCSCC(=O)O)C(=O)O Amb32660941 [0,0,0,0,0,2|1,0,0]=3 3153 B11R0.29 NC(CCSCC(=O)O)C(=O)O Amb33552542 [0,0,0,0,0,2|1,0,0]=3 3154 B11R0.29 NC(CC\C=C\C(=O)O)C(=O)O Amb32686887 [0,0,0,0,0,2|1,0,0]=3 3155 B11R0.29 NC(CC\C=C\C(=O)O)C(=O)O Amb33470155 [0,0,0,0,0,2|1,0,0]=3 3156 B11R0.29 NC(N)=NCCCC(N)C(=O)O Amb19866551 [0,0,0,0,0,2|1,0,0]=3 3157 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O Amb22746360 [0,0,0,0,0,2|1,0,0]=3