0 B7R0.6 C=C(Br)CCC(=O)O Amb18648212 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.6 C=C(Br)CNC(N)=O Amb27956072 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.6 C=C(Br)\C=C\C(=O)O Amb26530913 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.6 C=C(C)CCB(O)O Amb28316164 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 C=C(C)CCC(=O)O Amb18641793 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.6 C=C(C)CCC(C)=O Amb9024770 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.6 C=C(C)CCC(C)O Amb24062974 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.6 C=C(C)CCC(N)=O Amb27838318 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.6 C=C(C)CC[C@@H](C)O Amb22896943 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.6 C=C(C)CC[C@H](C)O Amb26446405 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.6 C=C(C)CC[N+](=O)[O-] Amb33199531 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.6 C=C(C)CNC(N)=O Amb28385347 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.6 C=C(C)CNC(O)=S Amb28240718 [0,0,0,0,0,0|3,1,0]=4 13 B7R0.6 C=C(C)COC(C)=O Amb16187121 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.6 C=C(C)COC(N)=O Amb4017509 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.6 C=C(C)NCC(=O)O Amb9173757 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.6 C=C(C)OCC(C)=O Amb27802616 [0,0,0,0,0,0|4,0,0]=4 17 B7R0.6 C=C(C)\C=C\C(=O)O Amb17593153 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.6 C=C(Cl)CCC(=O)O Amb18642971 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.6 C=C(Cl)CCC(C)=O Amb28316194 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.6 C=C(Cl)COC(C)=O Amb24744447 [0,0,0,0,0,0|4,0,0]=4 21 B7R0.6 C=C(Cl)CSC(C)=O Amb21960981 [0,0,0,0,0,0|4,0,0]=4 22 B7R0.6 C=C(N)CCC(=O)O Amb27629351 [0,0,0,0,0,0|2,0,0]=2 23 B7R0.6 C=C(O)\C=C\C(=O)O Amb26391061 [0,0,0,0,0,0|1,0,2]=3 24 B7R0.6 CC(=N)NCC(N)=O Amb27601983 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.6 CC(=O)CC=C(C)C Amb17593170 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.6 CC(=O)CCB(O)O Amb25095502 [0,0,0,0,0,0|2,0,1]=3 27 B7R0.6 CC(=O)CCC(=O)O Amb534169 [0,0,0,0,0,0|1,0,0]=1 28 B7R0.6 CC(=O)CCC(=S)Cl Amb28049019 [0,0,0,0,0,0|2,1,0]=3 29 B7R0.6 CC(=O)CCC(C)=O Amb2793010 [0,0,0,0,0,0|2,0,0]=2 30 B7R0.6 CC(=O)CCC(C)=S Amb27226729 [0,0,0,0,0,0|2,1,0]=3 31 B7R0.6 CC(=O)CCC(C)Br Amb27424770 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.6 CC(=O)CCC(C)C Amb4605991 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.6 CC(=O)CCC(C)O Amb25829594 [0,0,0,0,0,0|2,0,1]=3 34 B7R0.6 CC(=O)CCC(F)F Amb27413848 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.6 CC(=O)CCC(N)=O Amb17142854 [0,0,0,0,0,0|2,0,0]=2 36 B7R0.6 CC(=O)CCC(O)=S Amb27267983 [0,0,0,0,0,0|1,1,0]=2 37 B7R0.6 CC(=O)CCN(C)C Amb1129203 [0,0,0,0,0,0|4,0,0]=4 38 B7R0.6 CC(=O)CCN(C)C Amb343601 [0,0,0,0,0,0|4,0,0]=4 39 B7R0.6 CC(=O)CC[C@@H](C)O Amb22351150 [0,0,0,0,0,0|2,0,1]=3 40 B7R0.6 CC(=O)CC[N+](=O)[O-] Amb18198961 [0,0,0,0,0,0|2,0,1]=3 41 B7R0.6 CC(=O)CNC(C)=O Amb6297294 [0,0,0,0,0,0|3,0,0]=3 42 B7R0.6 CC(=O)CNS(C)=O Amb27243778 [0,0,0,0,0,0|4,0,0]=4 43 B7R0.6 CC(=O)COC(C)=O Amb8517567 [0,0,0,0,0,0|3,0,0]=3 44 B7R0.6 CC(=O)C\C=C(\C)Cl Amb27880641 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.6 CC(=O)NCB(O)O Amb8392097 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [0,0,0,0,0,0|2,0,0]=2 47 B7R0.6 CC(=O)NCC(C)O Amb9276316 [0,0,0,0,0,0|3,0,1]=4 48 B7R0.6 CC(=O)NCC(N)=O Amb17231824 [0,0,0,0,0,0|3,0,0]=3 49 B7R0.6 CC(=O)NCC(N)=S Amb17231879 [0,0,0,0,0,0|3,1,0]=4 50 B7R0.6 CC(=O)NNC(C)=O Amb8516143 [0,0,0,0,0,0|4,0,0]=4 51 B7R0.6 CC(=O)OCC(=O)Cl Amb3939160 [0,0,0,0,0,0|3,0,0]=3 52 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [0,0,0,0,0,0|2,0,0]=2 53 B7R0.6 CC(=O)OCC(C)O Amb24056158 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.6 CC(=O)OCC(N)=O Amb24670486 [0,0,0,0,0,0|3,0,0]=3 55 B7R0.6 CC(=O)OCC(N)=S Amb9677330 [0,0,0,0,0,0|3,1,0]=4 56 B7R0.6 CC(=O)OC[C@H](C)O Amb28315156 [0,0,0,0,0,0|3,0,1]=4 57 B7R0.6 CC(=O)ONC(N)=O Amb28456585 [0,0,0,0,0,0|4,0,0]=4 58 B7R0.6 CC(=O)SCB(O)O Amb27456620 [0,0,0,0,0,0|3,0,1]=4 59 B7R0.6 CC(=O)SCC(=O)Cl Amb24451416 [0,0,0,0,0,0|3,0,0]=3 60 B7R0.6 CC(=O)SCC(C)O Amb27801534 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.6 CC(=O)SCC(N)=O Amb22353247 [0,0,0,0,0,0|3,0,0]=3 62 B7R0.6 CC(=O)SSC(C)=O Amb24099405 [0,0,0,0,0,0|4,0,0]=4 63 B7R0.6 CC(=O)\C=C\C(=O)O Amb2722867 [0,0,0,0,0,0|1,0,2]=3 64 B7R0.6 CC(=O)\C=C\C(C)=O Amb22346013 [0,0,0,0,0,0|2,0,2]=4 65 B7R0.6 CC(=O)\C=C\C(N)=O Amb24516266 [0,0,0,0,0,0|2,0,2]=4 66 B7R0.6 CC(=O)\N=C\C(=O)O Amb27262053 [0,0,0,0,0,0|2,0,1]=3 67 B7R0.6 CC(=S)NCC(=O)O Amb24325138 [0,0,0,0,0,0|2,1,0]=3 68 B7R0.6 CC(=S)SCC(=O)O Amb25963237 [0,0,0,0,0,0|2,1,0]=3 69 B7R0.6 CC(Br)CCC(=O)O Amb18124528 [0,0,0,0,0,0|2,0,1]=3 70 B7R0.6 CC(C)=CCC(=O)O Amb6274419 [0,0,0,0,0,0|2,0,1]=3 71 B7R0.6 CC(C)=CCC(=O)[O-] Amb22491058 [0,0,0,0,0,0|2,0,2]=4 72 B7R0.6 CC(C)=NCC(N)=O Amb27489401 [0,0,0,0,0,0|4,0,0]=4 73 B7R0.6 CC(C)CCC(=O)Cl Amb3941047 [0,0,0,0,0,0|3,0,1]=4 74 B7R0.6 CC(C)CCC(=O)O Amb1153016 [0,0,0,0,0,0|2,0,1]=3 75 B7R0.6 CC(C)CCC(N)=O Amb8997711 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.6 CC(C)NCC(=O)O Amb2372347 [0,0,0,0,0,0|3,0,1]=4 77 B7R0.6 CC(C)NCC(=O)O Amb6892753 [0,0,0,0,0,0|3,0,1]=4 78 B7R0.6 CC(C)OCC(=O)O Amb6275796 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.6 CC(C)SCC(=O)O Amb1128460 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.6 CC(Cl)CCC(=O)Cl Amb22229744 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.6 CC(I)CCC(=O)O Amb25938596 [0,0,0,0,0,0|2,0,1]=3 82 B7R0.6 CC(N)CCC(=O)O Amb17593212 [0,0,0,0,0,0|2,0,1]=3 83 B7R0.6 CC(N)CCC(=O)O Amb19515603 [0,0,0,0,0,0|2,0,1]=3 84 B7R0.6 CC(N)CCS(=O)O Amb27839082 [0,0,0,0,0,0|3,0,1]=4 85 B7R0.6 CC(N)CC[PH](=O)O Amb27221659 [0,0,0,0,0,0|3,0,1]=4 86 B7R0.6 CC(N)SCC(=O)O Amb27401691 [0,0,0,0,0,0|3,0,1]=4 87 B7R0.6 CC(O)C#CC(=O)O Amb27803065 [0,0,0,0,0,0|1,0,3]=4 88 B7R0.6 CC(O)CCB(O)O Amb24594819 [0,0,0,0,0,0|2,0,2]=4 89 B7R0.6 CC(O)CCC(=N)N Amb29849256 [0,0,0,0,0,0|3,0,1]=4 90 B7R0.6 CC(O)CCC(=O)O Amb18294804 [0,0,0,0,0,0|1,0,1]=2 91 B7R0.6 CC(O)CCC(=O)[O-] Amb32729478 [0,0,0,0,0,0|1,0,2]=3 92 B7R0.6 CC(O)CCC(C)O Amb2688714 [0,0,0,0,0,0|2,0,2]=4 93 B7R0.6 CC(O)CCC(N)=S Amb28078352 [0,0,0,0,0,0|2,1,1]=4 94 B7R0.6 CC(O)CCS(=O)[O-] Amb27662317 [0,0,0,0,0,0|2,0,2]=4 95 B7R0.6 CC(O)COC(N)=O Amb26359577 [0,0,0,0,0,0|3,0,1]=4 96 B7R0.6 CC(S)CCC(=O)O Amb8471198 [0,0,0,0,0,0|1,1,1]=3 97 B7R0.6 CC(S)CCC(N)=O Amb28399630 [0,0,0,0,0,0|2,1,1]=4 98 B7R0.6 CN(C)CCC(=O)Cl Amb26050113 [0,0,0,0,0,0|4,0,0]=4 99 B7R0.6 CN(C)CCC(=O)Cl Amb32652940 [0,0,0,0,0,0|4,0,0]=4 100 B7R0.6 CN(C)CCC(=O)O Amb19888182 [0,0,0,0,0,0|3,0,0]=3 101 B7R0.6 CN(C)CCC(=O)O Amb6633385 [0,0,0,0,0,0|3,0,0]=3 102 B7R0.6 CN(C)CCC(N)=O Amb17231825 [0,0,0,0,0,0|4,0,0]=4 103 B7R0.6 CN(C)OCC(=O)O Amb28120004 [0,0,0,0,0,0|4,0,0]=4 104 B7R0.6 CN(N)CCC(=O)O Amb2698078 [0,0,0,0,0,0|3,0,0]=3 105 B7R0.6 CN(O)CCC(N)=O Amb27390605 [0,0,0,0,0,0|3,0,0]=3 106 B7R0.6 CN(O)\C=C\C(=O)O Amb27788003 [0,0,0,0,0,0|2,0,2]=4 107 B7R0.6 CS(=O)CCC(=O)O Amb18523762 [0,0,0,0,0,0|2,0,0]=2 108 B7R0.6 CS(=O)CCS(C)=O Amb26455659 [0,0,0,0,0,0|4,0,0]=4 109 B7R0.6 CS(=O)NCC(=O)O Amb25237322 [0,0,0,0,0,0|3,0,0]=3 110 B7R0.6 CS(=O)\C=C\C(=O)O Amb18642965 [0,0,0,0,0,0|2,0,2]=4 111 B7R0.6 C[C@@H](N)CCC(=O)O Amb25960628 [0,0,0,0,0,0|2,0,1]=3 112 B7R0.6 C[C@@H](N)CCC(=O)O Amb35753110 [0,0,0,0,0,0|2,0,1]=3 113 B7R0.6 C[C@@H](O)CC[C@@H](C)O Amb4166310 [0,0,0,0,0,0|2,0,2]=4 114 B7R0.6 C[C@@H](O)CNC(N)=O Amb28315793 [0,0,0,0,0,0|3,0,1]=4 115 B7R0.6 C[C@H](N)CCC(=O)O Amb25047328 [0,0,0,0,0,0|2,0,1]=3 116 B7R0.6 C[C@H](N)CCC(=O)O Amb35752545 [0,0,0,0,0,0|2,0,1]=3 117 B7R0.6 C[C@H](O)CCC(=O)O Amb27656596 [0,0,0,0,0,0|1,0,1]=2 118 B7R0.6 C[C@H](O)CC[C@@H](C)O Amb26407371 [0,0,0,0,0,0|2,0,2]=4 119 B7R0.6 C[C@H](O)CC[C@H](C)O Amb4166315 [0,0,0,0,0,0|2,0,2]=4 120 B7R0.6 C[C@H](S)CCC(=O)O Amb27170326 [0,0,0,0,0,0|1,1,1]=3 121 B7R0.6 C[S+](C)CCC(=O)O Amb8390782 [0,0,0,0,0,0|3,0,0]=3 122 B7R0.6 C[S+](C)CCC(=O)[O-] Amb20247306 [0,0,0,0,0,0|3,0,1]=4 123 B7R0.6 C\C(Cl)=C/CC(N)=O Amb27750566 [0,0,0,0,0,0|3,0,1]=4 124 B7R0.6 C\C(Cl)=C\CC(=O)O Amb27975492 [0,0,0,0,0,0|2,0,1]=3 125 B7R0.6 C\C(O)=N\NC(N)=O Amb17777869 [0,0,0,0,0,0|4,0,0]=4 126 B7R0.6 N=C(N)CCC(=N)N Amb2696658 [0,0,0,0,0,0|4,0,0]=4 127 B7R0.6 N=C(N)CCC(N)=O Amb25680023 [0,0,0,0,0,0|3,0,0]=3 128 B7R0.6 N=C(N)NCC(=O)O Amb16231404 [0,0,0,0,0,0|3,0,0]=3 129 B7R0.6 N=C(N)NCC(=O)O Amb2781642 [0,0,0,0,0,0|3,0,0]=3 130 B7R0.6 N=C(N)SCC(=O)O Amb33544354 [0,0,0,0,0,0|3,0,0]=3 131 B7R0.6 N=C(N)SCC(N)=O Amb22261500 [0,0,0,0,0,0|4,0,0]=4 132 B7R0.6 NC(=O)C#CC(N)=O Amb6366606 [0,0,0,0,0,0|2,0,2]=4 133 B7R0.6 NC(=O)CCC(=O)Cl Amb28240580 [0,0,0,0,0,0|2,0,0]=2 134 B7R0.6 NC(=O)CCC(=O)O Amb2967294 [0,0,0,0,0,0|1,0,0]=1 135 B7R0.6 NC(=O)CCC(Cl)Cl Amb32671996 [0,0,0,0,0,0|3,0,1]=4 136 B7R0.6 NC(=O)CCC(N)=O Amb1353209 [0,0,0,0,0,0|2,0,0]=2 137 B7R0.6 NC(=O)CCC(O)O Amb27254204 [0,0,0,0,0,0|1,0,2]=3 138 B7R0.6 NC(=O)CNC(N)=S Amb9212104 [0,0,0,0,0,0|3,1,0]=4 139 B7R0.6 NC(=O)CO[PH](=O)O Amb27392553 [0,0,0,0,0,0|3,0,0]=3 140 B7R0.6 NC(=O)CSC(N)=S Amb27642551 [0,0,0,0,0,0|3,1,0]=4 141 B7R0.6 NC(=O)NCC(=O)O Amb6366364 [0,0,0,0,0,0|2,0,0]=2 142 B7R0.6 NC(=O)NNC(N)=O Amb6366265 [0,0,0,0,0,0|4,0,0]=4 143 B7R0.6 NC(=O)\C=C/C(=O)O Amb2719749 [0,0,0,0,0,0|1,0,2]=3 144 B7R0.6 NC(=O)\C=C/C(N)=O Amb4292114 [0,0,0,0,0,0|2,0,2]=4 145 B7R0.6 NC(=O)\C=C\C(=O)O Amb9277095 [0,0,0,0,0,0|1,0,2]=3 146 B7R0.6 NC(=O)\C=C\C(N)=O Amb6334811 [0,0,0,0,0,0|2,0,2]=4 147 B7R0.6 NC(=O)\N=C\C(=O)O Amb27592464 [0,0,0,0,0,0|2,0,1]=3 148 B7R0.6 NC(=S)CCC(=O)O Amb18102382 [0,0,0,0,0,0|1,1,0]=2 149 B7R0.6 NC(=S)NCC(=O)O Amb9786290 [0,0,0,0,0,0|2,1,0]=3 150 B7R0.6 NC(=[NH2+])NCC(=O)[O-] Amb4244207 [0,0,0,0,0,0|3,0,1]=4 151 B7R0.6 NS(=O)CC[N+](=O)[O-] Amb32720434 [0,0,0,0,0,0|3,0,1]=4 152 B7R0.6 O=C(Cl)CCC(=O)Cl Amb3940240 [0,0,0,0,0,0|2,0,0]=2 153 B7R0.6 O=C(Cl)SSC(=O)Cl Amb33465476 [0,0,0,0,0,0|4,0,0]=4 154 B7R0.6 O=C(Cl)\C=C\C(=O)Cl Amb8513635 [0,0,0,0,0,0|2,0,2]=4 155 B7R0.6 O=C(O)C#CC(=O)O Amb6297768 [0,0,0,0,0,0|0,0,2]=2 156 B7R0.6 O=C(O)CC=C(Cl)Cl Amb17593875 [0,0,0,0,0,0|2,0,1]=3 157 B7R0.6 O=C(O)CCB(O)O Amb24640288 [0,0,0,0,0,0|1,0,1]=2 158 B7R0.6 O=C(O)CCC(=O)O Amb22168124 [0,0,0,0,0,0|0,0,0]=0 159 B7R0.6 O=C(O)CCC(=O)O Amb2792874 [0,0,0,0,0,0|0,0,0]=0 160 B7R0.6 O=C(O)CCC(Cl)Cl Amb25059214 [0,0,0,0,0,0|2,0,1]=3 161 B7R0.6 O=C(O)CCC(F)F Amb20623135 [0,0,0,0,0,0|2,0,1]=3 162 B7R0.6 O=C(O)CCN(F)F Amb28370344 [0,0,0,0,0,0|3,0,0]=3 163 B7R0.6 O=C(O)CCP(O)O Amb27424479 [0,0,0,0,0,0|1,0,1]=2 164 B7R0.6 O=C(O)CCS(=O)O Amb27144832 [0,0,0,0,0,0|1,0,0]=1 165 B7R0.6 O=C(O)CC[N+](=O)[O-] Amb10843224 [0,0,0,0,0,0|1,0,1]=2 166 B7R0.6 O=C(O)CC[SH](=O)=O Amb27410689 [0,0,0,0,0,0|1,0,1]=2 167 B7R0.6 O=C(O)CNC(=O)S Amb27424662 [0,0,0,0,0,0|1,1,0]=2 168 B7R0.6 O=C(O)CN[N+](=O)[O-] Amb26397226 [0,0,0,0,0,0|2,0,1]=3 169 B7R0.6 O=C(O)COC(=O)Cl Amb27199161 [0,0,0,0,0,0|2,0,0]=2 170 B7R0.6 O=C(O)COC(F)F Amb26635492 [0,0,0,0,0,0|3,0,1]=4 171 B7R0.6 O=C(O)CSC(F)F Amb9215372 [0,0,0,0,0,0|3,0,1]=4 172 B7R0.6 O=C(O)\C=C/C(=O)O Amb2792876 [0,0,0,0,0,0|0,0,2]=2 173 B7R0.6 O=C(O)\C=C\B(O)O Amb27864214 [0,0,0,0,0,0|1,0,3]=4 174 B7R0.6 O=C(O)\C=C\C(=O)Cl Amb25890079 [0,0,0,0,0,0|1,0,2]=3 175 B7R0.6 O=C(O)\C=C\C(=O)O Amb6608657 [0,0,0,0,0,0|0,0,2]=2 176 B7R0.6 O=C(O)\C=C\C(=O)O Amb8513055 [0,0,0,0,0,0|0,0,2]=2 177 B7R0.6 O=C(O)\C=C\C(=O)S Amb27468769 [0,0,0,0,0,0|0,1,2]=3 178 B7R0.6 O=C(O)\C=C\[N+](=O)[O-] Amb25736416 [0,0,0,0,0,0|1,0,3]=4 179 B7R0.6 O=C([O-])C#CC(=O)O Amb19748298 [0,0,0,0,0,0|0,0,3]=3 180 B7R0.6 O=C([O-])C#CC(=O)O Amb2721628 [0,0,0,0,0,0|0,0,3]=3 181 B7R0.6 O=C([O-])C#CC(=O)O Amb33620293 [0,0,0,0,0,0|0,0,3]=3 182 B7R0.6 O=C([O-])C#CC(=O)[O-] Amb29844449 [0,0,0,0,0,0|0,0,4]=4 183 B7R0.6 O=C([O-])CCC(=O)[O-] Amb33512742 [0,0,0,0,0,0|0,0,2]=2 184 B7R0.6 O=C([O-])CCC(=O)[O-] Amb8514379 [0,0,0,0,0,0|0,0,2]=2 185 B7R0.6 O=C([O-])\C=C/C(=O)O Amb22168115 [0,0,0,0,0,0|0,0,3]=3 186 B7R0.6 O=C([O-])\C=C/C(=O)O Amb9787714 [0,0,0,0,0,0|0,0,3]=3 187 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb20246799 [0,0,0,0,0,0|0,0,4]=4 188 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb22002520 [0,0,0,0,0,0|0,0,4]=4 189 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb22043369 [0,0,0,0,0,0|0,0,4]=4 190 B7R0.6 O=[N+]([O-])CCS(=O)Cl Amb32720435 [0,0,0,0,0,0|3,0,1]=4 191 B7R0.6 O=[N+]([O-])CCS(=O)[O-] Amb32754104 [0,0,0,0,0,0|2,0,2]=4 192 B7R0.6 OC(O)CCC(O)O Amb26000162 [0,0,0,0,0,0|0,0,4]=4 193 B7R0.6 [BH3-]C(=O)NCC(=O)O Amb27478291 [0,0,0,0,0,0|2,0,0]=2 194 B6R0.4 C#CCCC(=O)Cl Amb26949181 [1,0,0,0,0,0|2,0,1]=4 195 B6R0.4 C#CCCC(=O)O Amb33532622 [1,0,0,0,0,0|1,0,1]=3 196 B6R0.4 C#CCCC(=O)[O-] Amb22232009 [1,0,0,0,0,0|1,0,2]=4 197 B6R0.4 C#CCCC(C)=O Amb8869638 [1,0,0,0,0,0|2,0,1]=4 198 B6R0.4 C=C(Br)CCCO Amb27471781 [1,0,0,0,0,0|2,0,1]=4 199 B6R0.4 C=C(C)CCCO Amb22886814 [1,0,0,0,0,0|2,0,1]=4 200 B6R0.4 C=C(Cl)CCCO Amb28065233 [1,0,0,0,0,0|2,0,1]=4 201 B6R0.4 C=C(F)CCCO Amb25811029 [1,0,0,0,0,0|2,0,1]=4 202 B6R0.4 C=C=CCC(=O)O Amb26657414 [1,0,0,0,0,0|1,0,2]=4 203 B6R0.4 C=CCCB(O)O Amb10067042 [1,0,0,0,0,0|2,0,1]=4 204 B6R0.4 C=CCCC(=C)C Amb22228883 [1,0,0,0,0,0|3,0,0]=4 205 B6R0.4 C=CCCC(=N)N Amb25326954 [1,0,0,0,0,0|3,0,0]=4 206 B6R0.4 C=CCCC(=O)Cl Amb3939003 [1,0,0,0,0,0|2,0,0]=3 207 B6R0.4 C=CCCC(=O)O Amb3940112 [1,0,0,0,0,0|1,0,0]=2 208 B6R0.4 C=CCCC(C)=O Amb2721704 [1,0,0,0,0,0|2,0,0]=3 209 B6R0.4 C=CCCC(C)O Amb22059013 [1,0,0,0,0,0|2,0,1]=4 210 B6R0.4 C=CCCC(C)O Amb34915890 [1,0,0,0,0,0|2,0,1]=4 211 B6R0.4 C=CCCC(N)=O Amb28136349 [1,0,0,0,0,0|2,0,0]=3 212 B6R0.4 C=CCCS(=O)[O-] Amb25680826 [1,0,0,0,0,0|2,0,1]=4 213 B6R0.4 C=CCC[C@@H](C)O Amb19929324 [1,0,0,0,0,0|2,0,1]=4 214 B6R0.4 C=CCC[C@H](C)O Amb22226511 [1,0,0,0,0,0|2,0,1]=4 215 B6R0.4 C=CCNC(C)=O Amb5797445 [1,0,0,0,0,0|3,0,0]=4 216 B6R0.4 C=CCNC(N)=O Amb6599864 [1,0,0,0,0,0|3,0,0]=4 217 B6R0.4 C=CCOC(=O)Cl Amb6600570 [1,0,0,0,0,0|3,0,0]=4 218 B6R0.4 C=CCOC(N)=O Amb4017585 [1,0,0,0,0,0|3,0,0]=4 219 B6R0.4 C=CNCC(=O)O Amb28346027 [1,0,0,0,0,0|2,0,0]=3 220 B6R0.4 C=COCC(=O)O Amb27247261 [1,0,0,0,0,0|2,0,0]=3 221 B6R0.4 C=COCC(C)=O Amb27838258 [1,0,0,0,0,0|3,0,0]=4 222 B6R0.4 CC#CCC(=O)O Amb17939740 [1,0,0,0,0,0|1,0,2]=4 223 B6R0.4 CC(=O)CC#CO Amb27463647 [1,0,0,0,0,0|1,0,2]=4 224 B6R0.4 CC(=O)CCC#N Amb17334046 [1,0,0,0,0,0|2,0,1]=4 225 B6R0.4 CC(=O)CCC=O Amb18639597 [1,0,0,0,0,0|1,0,0]=2 226 B6R0.4 CC(=O)CCCBr Amb8394105 [1,0,0,0,0,0|2,0,1]=4 227 B6R0.4 CC(=O)CCCCl Amb3940272 [1,0,0,0,0,0|2,0,1]=4 228 B6R0.4 CC(=O)CCCF Amb25068187 [1,0,0,0,0,0|2,0,1]=4 229 B6R0.4 CC(=O)CCCN Amb18121547 [1,0,0,0,0,0|2,0,1]=4 230 B6R0.4 CC(=O)CCCN Amb32661221 [1,0,0,0,0,0|2,0,1]=4 231 B6R0.4 CC(=O)CCCN Amb32661286 [1,0,0,0,0,0|2,0,1]=4 232 B6R0.4 CC(=O)CCCO Amb3940340 [1,0,0,0,0,0|1,0,1]=3 233 B6R0.4 CC(=O)C\C=N\O Amb27750272 [1,0,0,0,0,0|2,0,1]=4 234 B6R0.4 CC(=O)NCC=O Amb25757509 [1,0,0,0,0,0|2,0,0]=3 235 B6R0.4 CC(=O)NCCO Amb2720909 [1,0,0,0,0,0|2,0,1]=4 236 B6R0.4 CC(=O)OCCO Amb3941004 [1,0,0,0,0,0|2,0,1]=4 237 B6R0.4 CC(=O)SCC=O Amb27873378 [1,0,0,0,0,0|2,0,0]=3 238 B6R0.4 CC(=O)SCCO Amb27481182 [1,0,0,0,0,0|2,0,1]=4 239 B6R0.4 CC(=O)\C=C/C=O Amb27424884 [1,0,0,0,0,0|1,0,2]=4 240 B6R0.4 CC(C)=CCC=O Amb18120881 [1,0,0,0,0,0|2,0,1]=4 241 B6R0.4 CC(C)CCC=O Amb17673735 [1,0,0,0,0,0|2,0,1]=4 242 B6R0.4 CC(Cl)CCC=O Amb18124284 [1,0,0,0,0,0|2,0,1]=4 243 B6R0.4 CC(O)CCC=O Amb17593090 [1,0,0,0,0,0|1,0,1]=3 244 B6R0.4 CC(O)CCCO Amb22227752 [1,0,0,0,0,0|1,0,2]=4 245 B6R0.4 CC(O)COC=O Amb27436963 [1,0,0,0,0,0|2,0,1]=4 246 B6R0.4 CC=C=CC(=O)O Amb17593065 [1,0,0,0,0,0|1,0,2]=4 247 B6R0.4 CCCCC(=O)Cl Amb3939066 [1,0,0,0,0,0|2,0,1]=4 248 B6R0.4 CCCCC(=O)O Amb3939877 [1,0,0,0,0,0|1,0,1]=3 249 B6R0.4 CCCCC(=O)[O-] Amb22056343 [1,0,0,0,0,0|1,0,2]=4 250 B6R0.4 CCCCC(C)=O Amb6608652 [1,0,0,0,0,0|2,0,1]=4 251 B6R0.4 CCCCC(N)=O Amb6891958 [1,0,0,0,0,0|2,0,1]=4 252 B6R0.4 CCCC[PH](=O)O Amb8391286 [1,0,0,0,0,0|2,0,1]=4 253 B6R0.4 CCNCC(=O)O Amb10609667 [1,0,0,0,0,0|2,0,1]=4 254 B6R0.4 CCNCC(=O)O Amb7764661 [1,0,0,0,0,0|2,0,1]=4 255 B6R0.4 CCOCC(=O)O Amb3939880 [1,0,0,0,0,0|2,0,1]=4 256 B6R0.4 CCPCC(=O)O Amb28321137 [1,0,0,0,0,0|2,0,1]=4 257 B6R0.4 CCSCC(=O)O Amb1125185 [1,0,0,0,0,0|2,0,1]=4 258 B6R0.4 CN(C)CCC=O Amb22001057 [1,0,0,0,0,0|3,0,0]=4 259 B6R0.4 CNCCC(=O)Cl Amb27422890 [1,0,0,0,0,0|3,0,0]=4 260 B6R0.4 CNCCC(=O)O Amb10609760 [1,0,0,0,0,0|2,0,0]=3 261 B6R0.4 CNCCC(=O)O Amb7766400 [1,0,0,0,0,0|2,0,0]=3 262 B6R0.4 CNCCC(C)=O Amb24560306 [1,0,0,0,0,0|3,0,0]=4 263 B6R0.4 CNCCC(C)=O Amb28827637 [1,0,0,0,0,0|3,0,0]=4 264 B6R0.4 CNCCC(N)=O Amb19959913 [1,0,0,0,0,0|3,0,0]=4 265 B6R0.4 CNCCC(N)=O Amb33538309 [1,0,0,0,0,0|3,0,0]=4 266 B6R0.4 COCCC(=O)Cl Amb2689274 [1,0,0,0,0,0|3,0,0]=4 267 B6R0.4 COCCC(=O)O Amb3938990 [1,0,0,0,0,0|2,0,0]=3 268 B6R0.4 COCCC(C)=O Amb7764907 [1,0,0,0,0,0|3,0,0]=4 269 B6R0.4 COCCC(N)=O Amb33538943 [1,0,0,0,0,0|3,0,0]=4 270 B6R0.4 CSCCC(=O)O Amb3939879 [1,0,0,0,0,0|2,0,0]=3 271 B6R0.4 CSCCC(C)=O Amb8392858 [1,0,0,0,0,0|3,0,0]=4 272 B6R0.4 CSSCC(=O)O Amb25378801 [1,0,0,0,0,0|3,0,0]=4 273 B6R0.4 C[C@@H](Cl)CCC=O Amb27595266 [1,0,0,0,0,0|2,0,1]=4 274 B6R0.4 C[C@@H](O)CCCO Amb28047449 [1,0,0,0,0,0|1,0,2]=4 275 B6R0.4 C[C@H](Cl)CCC=O Amb28141995 [1,0,0,0,0,0|2,0,1]=4 276 B6R0.4 C[C@H](O)CCC=O Amb27188424 [1,0,0,0,0,0|1,0,1]=3 277 B6R0.4 C\C=C\CC(=O)O Amb3941538 [1,0,0,0,0,0|1,0,1]=3 278 B6R0.4 C\C=C\CC(N)=O Amb26589975 [1,0,0,0,0,0|2,0,1]=4 279 B6R0.4 N#CCCC(=O)Cl Amb25106570 [1,0,0,0,0,0|2,0,1]=4 280 B6R0.4 N#CCCC(=O)O Amb2694975 [1,0,0,0,0,0|1,0,1]=3 281 B6R0.4 N#CCCC(N)=O Amb8841150 [1,0,0,0,0,0|2,0,1]=4 282 B6R0.4 N=C(N)CCCO Amb33038287 [1,0,0,0,0,0|2,0,1]=4 283 B6R0.4 N=CNCC(=O)Cl Amb27216499 [1,0,0,0,0,0|3,0,0]=4 284 B6R0.4 N=CNCC(=O)O Amb24670244 [1,0,0,0,0,0|2,0,0]=3 285 B6R0.4 NC(=O)CCCCl Amb1138237 [1,0,0,0,0,0|2,0,1]=4 286 B6R0.4 NC(=O)CCCF Amb28073400 [1,0,0,0,0,0|2,0,1]=4 287 B6R0.4 NC(=O)CCCO Amb20623438 [1,0,0,0,0,0|1,0,1]=3 288 B6R0.4 NC(=O)CCCS Amb27174778 [1,0,0,0,0,0|1,1,1]=4 289 B6R0.4 NC(=O)C\C=C/Cl Amb27593169 [1,0,0,0,0,0|2,0,1]=4 290 B6R0.4 NC(=O)NCCO Amb1146041 [1,0,0,0,0,0|2,0,1]=4 291 B6R0.4 NC(=O)NNC=O Amb27874930 [1,0,0,0,0,0|3,0,0]=4 292 B6R0.4 NC(=O)OCCO Amb20623788 [1,0,0,0,0,0|2,0,1]=4 293 B6R0.4 NC(=S)CCCO Amb9215001 [1,0,0,0,0,0|1,1,1]=4 294 B6R0.4 NC(=S)CNC=O Amb24479904 [1,0,0,0,0,0|2,1,0]=4 295 B6R0.4 NCCCC(=O)Cl Amb1935063 [1,0,0,0,0,0|2,0,1]=4 296 B6R0.4 NCCCC(=O)O Amb1935210 [1,0,0,0,0,0|1,0,1]=3 297 B6R0.4 NCCCC(N)=O Amb2099583 [1,0,0,0,0,0|2,0,1]=4 298 B6R0.4 NCCCC(N)=O Amb6543438 [1,0,0,0,0,0|2,0,1]=4 299 B6R0.4 NCCCS(=O)O Amb25185942 [1,0,0,0,0,0|2,0,1]=4 300 B6R0.4 NCCC[PH](=O)O Amb22370049 [1,0,0,0,0,0|2,0,1]=4 301 B6R0.4 NNCCC(=O)O Amb33756816 [1,0,0,0,0,0|2,0,0]=3 302 B6R0.4 NOCCC(=O)O Amb17569891 [1,0,0,0,0,0|2,0,0]=3 303 B6R0.4 NOCCC(=O)O Amb32693437 [1,0,0,0,0,0|2,0,0]=3 304 B6R0.4 NOCCC(N)=O Amb27838275 [1,0,0,0,0,0|3,0,0]=4 305 B6R0.4 O=C(Br)CCCBr Amb25724818 [1,0,0,0,0,0|2,0,1]=4 306 B6R0.4 O=C(Cl)CCCBr Amb3940241 [1,0,0,0,0,0|2,0,1]=4 307 B6R0.4 O=C(Cl)CCCCl Amb6608638 [1,0,0,0,0,0|2,0,1]=4 308 B6R0.4 O=C(O)C#CCO Amb22002375 [1,0,0,0,0,0|0,0,3]=4 309 B6R0.4 O=C(O)CCCBr Amb8393276 [1,0,0,0,0,0|1,0,1]=3 310 B6R0.4 O=C(O)CCCCl Amb3940333 [1,0,0,0,0,0|1,0,1]=3 311 B6R0.4 O=C(O)CCCF Amb17593104 [1,0,0,0,0,0|1,0,1]=3 312 B6R0.4 O=C(O)CCCI Amb22295911 [1,0,0,0,0,0|1,0,1]=3 313 B6R0.4 O=C(O)CCCO Amb18640332 [1,0,0,0,0,0|0,0,1]=2 314 B6R0.4 O=C(O)CCCS Amb16185429 [1,0,0,0,0,0|0,1,1]=3 315 B6R0.4 O=C(O)CCNO Amb28067767 [1,0,0,0,0,0|1,0,0]=2 316 B6R0.4 O=C(O)CCSCl Amb28387511 [1,0,0,0,0,0|2,0,0]=3 317 B6R0.4 O=C(O)COCF Amb33378705 [1,0,0,0,0,0|2,0,1]=4 318 B6R0.4 O=C(O)CPCO Amb28340565 [1,0,0,0,0,0|1,0,1]=3 319 B6R0.4 O=C(O)CSSCl Amb27477882 [1,0,0,0,0,0|3,0,0]=4 320 B6R0.4 O=C(O)C\C=C/Br Amb27483815 [1,0,0,0,0,0|1,0,1]=3 321 B6R0.4 O=C(O)C\C=C\Cl Amb25111871 [1,0,0,0,0,0|1,0,1]=3 322 B6R0.4 O=C(O)\C=C\CO Amb32662006 [1,0,0,0,0,0|0,0,3]=4 323 B6R0.4 O=C(S)NCCO Amb27430045 [1,0,0,0,0,0|1,1,1]=4 324 B6R0.4 O=C([O-])CCCO Amb3429667 [1,0,0,0,0,0|0,0,2]=3 325 B6R0.4 O=C([O-])CNCO Amb8383630 [1,0,0,0,0,0|1,0,2]=4 326 B6R0.4 O=CCCC(=O)O Amb17673897 [1,0,0,0,0,0|0,0,0]=1 327 B6R0.4 O=CCCC(F)F Amb25848573 [1,0,0,0,0,0|2,0,1]=4 328 B6R0.4 O=CCCC(O)O Amb27838257 [1,0,0,0,0,0|0,0,2]=3 329 B6R0.4 O=CCC[N+](=O)[O-] Amb24052990 [1,0,0,0,0,0|1,0,1]=3 330 B6R0.4 O=CNCC(=O)O Amb1911508 [1,0,0,0,0,0|1,0,0]=2 331 B6R0.4 O=COCC(=O)O Amb26624011 [1,0,0,0,0,0|1,0,0]=2 332 B6R0.4 O=C\C=C/C(=O)O Amb26023446 [1,0,0,0,0,0|0,0,2]=3 333 B6R0.4 O=S(O)COCO Amb27410575 [1,0,0,0,0,0|2,0,1]=4 334 B6R0.4 O=S([O-])CCCO Amb27221257 [1,0,0,0,0,0|1,0,2]=4 335 B6R0.4 O=[N+]([O-])CCCO Amb20247690 [1,0,0,0,0,0|1,0,2]=4 336 B6R0.4 O=[PH](O)CCCO Amb28345330 [1,0,0,0,0,0|1,0,1]=3 337 B6R0.4 OCCCB(O)O Amb27391604 [1,0,0,0,0,0|1,0,2]=4 338 B6R0.4 [N-]=[N+]=NCC(=O)O Amb10070956 [1,0,0,0,0,0|3,0,0]=4 339 B8R0.9 BO\C(O)=C/CC(=O)O Amb27797365 [0,1,0,0,0,0|0,0,2]=3 340 B8R0.9 C#CC(=C)CCC(=O)O Amb27655639 [0,1,0,0,0,0|2,0,0]=3 341 B8R0.9 C#CC(=C)CCC(C)=O Amb27179805 [0,1,0,0,0,0|3,0,0]=4 342 B8R0.9 C#CC(=O)NCC(=O)O Amb6270091 [0,1,0,0,0,0|2,0,0]=3 343 B8R0.9 C#CC(F)CCC(=O)O Amb28041990 [0,1,0,0,0,0|2,0,1]=4 344 B8R0.9 C#CC(N)CCC(=O)O Amb22352566 [0,1,0,0,0,0|2,0,1]=4 345 B8R0.9 C=C(Br)COC(=O)CO Amb27837568 [0,1,0,0,0,0|3,0,0]=4 346 B8R0.9 C=C(C)CCC(=O)CN Amb27809573 [0,1,0,0,0,0|3,0,0]=4 347 B8R0.9 C=C(C)CNC(=O)CO Amb27866006 [0,1,0,0,0,0|3,0,0]=4 348 B8R0.9 C=C(C)CNC(=O)OC Amb27473324 [0,1,0,0,0,0|3,0,0]=4 349 B8R0.9 C=C(C)COC(=O)CO Amb28280952 [0,1,0,0,0,0|3,0,0]=4 350 B8R0.9 C=C(C=O)CCC(=O)O Amb27655564 [0,1,0,0,0,0|1,0,0]=2 351 B8R0.9 C=C(Cl)CNC(=O)CO Amb27857427 [0,1,0,0,0,0|3,0,0]=4 352 B8R0.9 C=CC(=C)CCC(=O)O Amb18642412 [0,1,0,0,0,0|2,0,0]=3 353 B8R0.9 C=CC(=O)COC(C)=O Amb17607380 [0,1,0,0,0,0|3,0,0]=4 354 B8R0.9 C=CC(=O)NCC(=O)O Amb33532656 [0,1,0,0,0,0|2,0,0]=3 355 B8R0.9 C=CC(=O)OCC(=O)O Amb27241348 [0,1,0,0,0,0|2,0,0]=3 356 B8R0.9 C=CC(=O)OCC(N)=O Amb27468552 [0,1,0,0,0,0|3,0,0]=4 357 B8R0.9 C=CC(=O)SCC(=O)O Amb27755823 [0,1,0,0,0,0|2,0,0]=3 358 B8R0.9 C=CC(N)CCC(=O)O Amb10843623 [0,1,0,0,0,0|2,0,1]=4 359 B8R0.9 C=CC(N)CCC(=O)O Amb22056347 [0,1,0,0,0,0|2,0,1]=4 360 B8R0.9 C=CC(O)CCC(=O)O Amb25785193 [0,1,0,0,0,0|1,0,1]=3 361 B8R0.9 C=CC([NH3+])CCC(=O)O Amb10845648 [0,1,0,0,0,0|2,0,1]=4 362 B8R0.9 C=C[C@H](N)CCC(=O)O Amb25694354 [0,1,0,0,0,0|2,0,1]=4 363 B8R0.9 C=C[C@H](O)CCC(=O)O Amb27168215 [0,1,0,0,0,0|1,0,1]=3 364 B8R0.9 C=C\C(C)=C\CC(=O)O Amb33276241 [0,1,0,0,0,0|2,0,1]=4 365 B8R0.9 CC(=O)CCC(=O)NN Amb25793418 [0,1,0,0,0,0|2,0,0]=3 366 B8R0.9 CC(=O)CCC(=O)NO Amb26971070 [0,1,0,0,0,0|1,0,0]=2 367 B8R0.9 CC(=O)CCC(C)C=O Amb18642612 [0,1,0,0,0,0|2,0,1]=4 368 B8R0.9 CC(=O)CCC(C)CO Amb27838673 [0,1,0,0,0,0|2,0,1]=4 369 B8R0.9 CC(=O)CCC(F)CO Amb25200909 [0,1,0,0,0,0|2,0,1]=4 370 B8R0.9 CC(=O)CCC(O)CF Amb28322193 [0,1,0,0,0,0|2,0,1]=4 371 B8R0.9 CC(=O)CCN(C)C=O Amb27802453 [0,1,0,0,0,0|3,0,0]=4 372 B8R0.9 CC(=O)CCN(C)N=O Amb28364300 [0,1,0,0,0,0|3,0,0]=4 373 B8R0.9 CC(=O)CNC(=O)CCl Amb27880921 [0,1,0,0,0,0|3,0,0]=4 374 B8R0.9 CC(=O)CNC(=O)CN Amb25837037 [0,1,0,0,0,0|3,0,0]=4 375 B8R0.9 CC(=O)COC(=O)CN Amb27168864 [0,1,0,0,0,0|3,0,0]=4 376 B8R0.9 CC(=O)NCC(=O)CN Amb35789045 [0,1,0,0,0,0|3,0,0]=4 377 B8R0.9 CC(=O)NCC(=O)CN Amb35789904 [0,1,0,0,0,0|3,0,0]=4 378 B8R0.9 CC(=O)NCC(=O)CO Amb27494067 [0,1,0,0,0,0|2,0,0]=3 379 B8R0.9 CC(=O)NCC(=O)NN Amb24524168 [0,1,0,0,0,0|3,0,0]=4 380 B8R0.9 CC(=O)NCC(=O)NO Amb25340085 [0,1,0,0,0,0|2,0,0]=3 381 B8R0.9 CC(=O)NC\C(N)=N/O Amb19650814 [0,1,0,0,0,0|3,0,0]=4 382 B8R0.9 CC(=O)NC\C(N)=N\O Amb21912454 [0,1,0,0,0,0|3,0,0]=4 383 B8R0.9 CC(=O)OCC(=O)CCl Amb19944668 [0,1,0,0,0,0|3,0,0]=4 384 B8R0.9 CC(=O)OCC(=O)CF Amb25744125 [0,1,0,0,0,0|3,0,0]=4 385 B8R0.9 CC(=O)OCC(=O)CO Amb28253910 [0,1,0,0,0,0|2,0,0]=3 386 B8R0.9 CC(=O)OCC(=O)NN Amb27480937 [0,1,0,0,0,0|3,0,0]=4 387 B8R0.9 CC(C)CCC(=O)CO Amb25053147 [0,1,0,0,0,0|2,0,1]=4 388 B8R0.9 CC(C)CCC(=O)NO Amb6744847 [0,1,0,0,0,0|2,0,1]=4 389 B8R0.9 CC(CCC(=O)O)NO Amb27945567 [0,1,0,0,0,0|1,0,1]=3 390 B8R0.9 CC(CCl)CCC(=O)O Amb27838484 [0,1,0,0,0,0|2,0,1]=4 391 B8R0.9 CC(CN)CCC(=O)O Amb22059189 [0,1,0,0,0,0|2,0,1]=4 392 B8R0.9 CC(CN)CCC(=O)O Amb28935016 [0,1,0,0,0,0|2,0,1]=4 393 B8R0.9 CC(N)CCC(=O)NO Amb27606094 [0,1,0,0,0,0|2,0,1]=4 394 B8R0.9 CC(O)CCC(=O)NN Amb19748590 [0,1,0,0,0,0|2,0,1]=4 395 B8R0.9 CC(O)CC\C(N)=N\O Amb29852670 [0,1,0,0,0,0|2,0,1]=4 396 B8R0.9 CCC(=N)SCC(=O)O Amb27412807 [0,1,0,0,0,0|3,0,0]=4 397 B8R0.9 CCC(=O)CCC(=O)O Amb2099579 [0,1,0,0,0,0|1,0,0]=2 398 B8R0.9 CCC(=O)CCC(C)=O Amb17593347 [0,1,0,0,0,0|2,0,0]=3 399 B8R0.9 CCC(=O)COC(C)=O Amb3940673 [0,1,0,0,0,0|3,0,0]=4 400 B8R0.9 CCC(=O)CSC(C)=O Amb27180933 [0,1,0,0,0,0|3,0,0]=4 401 B8R0.9 CCC(=O)NCC(=O)O Amb1120037 [0,1,0,0,0,0|2,0,0]=3 402 B8R0.9 CCC(=O)NCC(N)=O Amb17231864 [0,1,0,0,0,0|3,0,0]=4 403 B8R0.9 CCC(=O)OCC(C)=O Amb27662511 [0,1,0,0,0,0|3,0,0]=4 404 B8R0.9 CCC(=O)OCC(N)=O Amb26505774 [0,1,0,0,0,0|3,0,0]=4 405 B8R0.9 CCC(=O)\C=C/C(=O)O Amb27838748 [0,1,0,0,0,0|1,0,2]=4 406 B8R0.9 CCC(=O)\C=C\C(=O)O Amb18642585 [0,1,0,0,0,0|1,0,2]=4 407 B8R0.9 CCC(Br)CCC(=O)O Amb28367201 [0,1,0,0,0,0|2,0,1]=4 408 B8R0.9 CCC(C)CCC(=O)O Amb22352932 [0,1,0,0,0,0|2,0,1]=4 409 B8R0.9 CCC(Cl)CCC(=O)O Amb27955847 [0,1,0,0,0,0|2,0,1]=4 410 B8R0.9 CCC(N)CCC(=O)O Amb21961489 [0,1,0,0,0,0|2,0,1]=4 411 B8R0.9 CCC(N)CCC(=O)O Amb5717972 [0,1,0,0,0,0|2,0,1]=4 412 B8R0.9 CCC(O)CCC(=O)O Amb27149373 [0,1,0,0,0,0|1,0,1]=3 413 B8R0.9 CCC(O)CCC(N)=O Amb27234638 [0,1,0,0,0,0|2,0,1]=4 414 B8R0.9 CCC(S)CCC(=O)O Amb27954753 [0,1,0,0,0,0|1,1,1]=4 415 B8R0.9 CCN(C)CCC(=O)O Amb8428205 [0,1,0,0,0,0|3,0,0]=4 416 B8R0.9 CCN(C)CCC(=O)O Amb8890954 [0,1,0,0,0,0|3,0,0]=4 417 B8R0.9 CCS(=O)CCC(=O)O Amb9173461 [0,1,0,0,0,0|2,0,0]=3 418 B8R0.9 CCS(=O)NCC(=O)O Amb28322707 [0,1,0,0,0,0|3,0,0]=4 419 B8R0.9 CC[C@@H](C)CCC(=O)O Amb25887394 [0,1,0,0,0,0|2,0,1]=4 420 B8R0.9 CC[C@@H](O)CCC(N)=O Amb27254154 [0,1,0,0,0,0|2,0,1]=4 421 B8R0.9 CC[C@H](O)CCC(=O)O Amb27170465 [0,1,0,0,0,0|1,0,1]=3 422 B8R0.9 CC\C(C)=C\CC(=O)O Amb22011800 [0,1,0,0,0,0|2,0,1]=4 423 B8R0.9 CN(C#N)CCC(=O)O Amb35634504 [0,1,0,0,0,0|3,0,0]=4 424 B8R0.9 CN(C)CCC(=O)NO Amb27762089 [0,1,0,0,0,0|3,0,0]=4 425 B8R0.9 CN(CCC(=O)O)N=O Amb17618592 [0,1,0,0,0,0|2,0,0]=3 426 B8R0.9 CN(CCC(N)=O)N=O Amb27487572 [0,1,0,0,0,0|3,0,0]=4 427 B8R0.9 CNC(=O)CCC(=O)O Amb2720937 [0,1,0,0,0,0|1,0,0]=2 428 B8R0.9 CNC(=O)CCC(C)=O Amb17334107 [0,1,0,0,0,0|2,0,0]=3 429 B8R0.9 CNC(=O)CCC(C)O Amb17334125 [0,1,0,0,0,0|2,0,1]=4 430 B8R0.9 CNC(=O)CCC(N)=O Amb17334114 [0,1,0,0,0,0|2,0,0]=3 431 B8R0.9 CNC(=O)CC[C@H](C)O Amb27799232 [0,1,0,0,0,0|2,0,1]=4 432 B8R0.9 CNC(=O)CNC(C)=O Amb4034777 [0,1,0,0,0,0|3,0,0]=4 433 B8R0.9 CNC(=O)COC(C)=O Amb26872495 [0,1,0,0,0,0|3,0,0]=4 434 B8R0.9 CNC(=O)NCC(=O)O Amb1130948 [0,1,0,0,0,0|2,0,0]=3 435 B8R0.9 CNC(=O)OCC(=O)O Amb30018932 [0,1,0,0,0,0|2,0,0]=3 436 B8R0.9 CNC(=O)\C=C/C(=O)O Amb2720469 [0,1,0,0,0,0|1,0,2]=4 437 B8R0.9 CNC(=O)\C=C\C(=O)O Amb9277097 [0,1,0,0,0,0|1,0,2]=4 438 B8R0.9 CNC(=S)NCC(=O)O Amb4044376 [0,1,0,0,0,0|2,1,0]=4 439 B8R0.9 COC(=O)CCB(O)O Amb25705142 [0,1,0,0,0,0|1,0,1]=3 440 B8R0.9 COC(=O)CCC(=O)Cl Amb3939311 [0,1,0,0,0,0|1,0,0]=2 441 B8R0.9 COC(=O)CCC(=O)O Amb6538024 [0,1,0,0,0,0|0,0,0]=1 442 B8R0.9 COC(=O)CCC(C)=O Amb13777321 [0,1,0,0,0,0|1,0,0]=2 443 B8R0.9 COC(=O)CCC(C)Br Amb24340280 [0,1,0,0,0,0|2,0,1]=4 444 B8R0.9 COC(=O)CCC(C)C Amb9241809 [0,1,0,0,0,0|2,0,1]=4 445 B8R0.9 COC(=O)CCC(C)Cl Amb24644384 [0,1,0,0,0,0|2,0,1]=4 446 B8R0.9 COC(=O)CCC(C)I Amb27445524 [0,1,0,0,0,0|2,0,1]=4 447 B8R0.9 COC(=O)CCC(C)N Amb18642842 [0,1,0,0,0,0|2,0,1]=4 448 B8R0.9 COC(=O)CCC(C)N Amb35750839 [0,1,0,0,0,0|2,0,1]=4 449 B8R0.9 COC(=O)CCC(C)O Amb26459430 [0,1,0,0,0,0|1,0,1]=3 450 B8R0.9 COC(=O)CCC(C)S Amb28066829 [0,1,0,0,0,0|1,1,1]=4 451 B8R0.9 COC(=O)CCC(C)[O-] Amb30988005 [0,1,0,0,0,0|1,0,2]=4 452 B8R0.9 COC(=O)CCC(F)F Amb27770565 [0,1,0,0,0,0|2,0,1]=4 453 B8R0.9 COC(=O)CCC(N)=O Amb24323351 [0,1,0,0,0,0|1,0,0]=2 454 B8R0.9 COC(=O)CCC(N)=S Amb18108081 [0,1,0,0,0,0|1,1,0]=3 455 B8R0.9 COC(=O)CCN(C)C Amb7757843 [0,1,0,0,0,0|3,0,0]=4 456 B8R0.9 COC(=O)CCS(=O)Cl Amb25944850 [0,1,0,0,0,0|2,0,0]=3 457 B8R0.9 COC(=O)CCS(=O)O Amb25967240 [0,1,0,0,0,0|1,0,0]=2 458 B8R0.9 COC(=O)CCS(=O)[O-] Amb21520328 [0,1,0,0,0,0|1,0,1]=3 459 B8R0.9 COC(=O)CCS(N)=O Amb32720304 [0,1,0,0,0,0|2,0,0]=3 460 B8R0.9 COC(=O)CC[C@@H](C)N Amb24117060 [0,1,0,0,0,0|2,0,1]=4 461 B8R0.9 COC(=O)CC[C@H](C)N Amb27950697 [0,1,0,0,0,0|2,0,1]=4 462 B8R0.9 COC(=O)CC[N+](=O)[O-] Amb26494342 [0,1,0,0,0,0|1,0,1]=3 463 B8R0.9 COC(=O)CNC(=N)N Amb27259956 [0,1,0,0,0,0|3,0,0]=4 464 B8R0.9 COC(=O)CNC(C)=O Amb3886556 [0,1,0,0,0,0|2,0,0]=3 465 B8R0.9 COC(=O)CNC(N)=O Amb1126846 [0,1,0,0,0,0|2,0,0]=3 466 B8R0.9 COC(=O)CNC(N)=S Amb9212124 [0,1,0,0,0,0|2,1,0]=4 467 B8R0.9 COC(=O)COC(C)=O Amb28049254 [0,1,0,0,0,0|2,0,0]=3 468 B8R0.9 COC(=O)CSC(=N)N Amb20676059 [0,1,0,0,0,0|3,0,0]=4 469 B8R0.9 COC(=O)NCC(=O)Cl Amb28388481 [0,1,0,0,0,0|2,0,0]=3 470 B8R0.9 COC(=O)NCC(=O)O Amb3941451 [0,1,0,0,0,0|1,0,0]=2 471 B8R0.9 COC(=O)NCC(C)=O Amb28461105 [0,1,0,0,0,0|2,0,0]=3 472 B8R0.9 COC(=O)NCC(C)O Amb9285615 [0,1,0,0,0,0|2,0,1]=4 473 B8R0.9 COC(=O)NCC(N)=O Amb27640170 [0,1,0,0,0,0|2,0,0]=3 474 B8R0.9 COC(=O)NC[C@@H](C)O Amb28204216 [0,1,0,0,0,0|2,0,1]=4 475 B8R0.9 COC(=O)NNC(N)=O Amb27643836 [0,1,0,0,0,0|3,0,0]=4 476 B8R0.9 COC(=O)OCC(=O)Cl Amb8393900 [0,1,0,0,0,0|2,0,0]=3 477 B8R0.9 COC(=O)OCC(=O)O Amb8393899 [0,1,0,0,0,0|1,0,0]=2 478 B8R0.9 COC(=O)\C=C/C(=O)O Amb6295872 [0,1,0,0,0,0|0,0,2]=3 479 B8R0.9 COC(=O)\C=C\C(=O)Cl Amb32664984 [0,1,0,0,0,0|1,0,2]=4 480 B8R0.9 COC(=O)\C=C\C(=O)O Amb33511119 [0,1,0,0,0,0|0,0,2]=3 481 B8R0.9 COC(=O)\C=C\C(C)=O Amb22336182 [0,1,0,0,0,0|1,0,2]=4 482 B8R0.9 COC(=S)SCC(=O)O Amb26653180 [0,1,0,0,0,0|1,1,0]=3 483 B8R0.9 COC(=S)SCC(N)=O Amb28325528 [0,1,0,0,0,0|2,1,0]=4 484 B8R0.9 COC(C)CCC(=O)O Amb24271104 [0,1,0,0,0,0|1,0,1]=3 485 B8R0.9 COC(C)CCC(C)=O Amb25880180 [0,1,0,0,0,0|2,0,1]=4 486 B8R0.9 CON(C)CCC(=O)O Amb27881744 [0,1,0,0,0,0|2,0,0]=3 487 B8R0.9 CO[C@@H](C)CCC(=O)O Amb28241276 [0,1,0,0,0,0|1,0,1]=3 488 B8R0.9 CO\C(C)=C\CC(=O)O Amb27963206 [0,1,0,0,0,0|1,0,1]=3 489 B8R0.9 CO\P(=O)=C\CC(=O)O Amb27199324 [0,1,0,0,0,0|1,0,1]=3 490 B8R0.9 CS(=O)CC\C(N)=N\O Amb27852254 [0,1,0,0,0,0|3,0,0]=4 491 B8R0.9 CSC(=O)CCC(C)O Amb28065144 [0,1,0,0,0,0|1,1,1]=4 492 B8R0.9 CSC(C)CCC(=O)O Amb22059071 [0,1,0,0,0,0|1,1,1]=4 493 B8R0.9 C[C@H](O)CNC(=O)CO Amb27829811 [0,1,0,0,0,0|2,0,1]=4 494 B8R0.9 C\C(C#N)=C\CC(=O)O Amb27196398 [0,1,0,0,0,0|2,0,1]=4 495 B8R0.9 C\C(CCC(=O)O)=N/O Amb25138471 [0,1,0,0,0,0|1,0,0]=2 496 B8R0.9 C\C=C(\C)CCC(C)=O Amb24610198 [0,1,0,0,0,0|3,0,0]=4 497 B8R0.9 N#CC(N)CCC(=O)O Amb27596135 [0,1,0,0,0,0|2,0,1]=4 498 B8R0.9 N#CC(N)CCC(=O)O Amb30666632 [0,1,0,0,0,0|2,0,1]=4 499 B8R0.9 N=C(CCl)NCC(=O)O Amb28282661 [0,1,0,0,0,0|3,0,0]=4 500 B8R0.9 NC(=O)CCC(O)CO Amb28073389 [0,1,0,0,0,0|1,0,2]=4 501 B8R0.9 NC(=O)CC[C@H](N)CO Amb24368577 [0,1,0,0,0,0|2,0,1]=4 502 B8R0.9 NC(=O)CNC(=O)C=O Amb27236949 [0,1,0,0,0,0|2,0,1]=4 503 B8R0.9 NC(=O)NC\C(N)=N\O Amb27487653 [0,1,0,0,0,0|3,0,0]=4 504 B8R0.9 NC(=O)NNC(=O)CO Amb25328968 [0,1,0,0,0,0|3,0,0]=4 505 B8R0.9 NC(CCl)CCC(=O)O Amb27440510 [0,1,0,0,0,0|2,0,1]=4 506 B8R0.9 NC(CF)CCC(=O)O Amb19148378 [0,1,0,0,0,0|2,0,1]=4 507 B8R0.9 NC(CF)CCC(=O)O Amb33473114 [0,1,0,0,0,0|2,0,1]=4 508 B8R0.9 NC(CO)CCC(=O)O Amb18642916 [0,1,0,0,0,0|1,0,1]=3 509 B8R0.9 NC(CO)CCC(=O)O Amb32665461 [0,1,0,0,0,0|1,0,1]=3 510 B8R0.9 NC(CS)CCC(=O)O Amb27458291 [0,1,0,0,0,0|1,1,1]=4 511 B8R0.9 NCC(=O)CCC(=O)O Amb2720232 [0,1,0,0,0,0|1,0,0]=2 512 B8R0.9 NCC(=O)CCC(=O)O Amb5395775 [0,1,0,0,0,0|1,0,0]=2 513 B8R0.9 NCC(=O)NCC(=O)O Amb1151360 [0,1,0,0,0,0|2,0,0]=3 514 B8R0.9 NCC(=O)NCC(=O)O Amb8382637 [0,1,0,0,0,0|2,0,0]=3 515 B8R0.9 NCC(=O)OCC(N)=O Amb27829178 [0,1,0,0,0,0|3,0,0]=4 516 B8R0.9 NCC(N)CCC(=O)O Amb19328773 [0,1,0,0,0,0|2,0,1]=4 517 B8R0.9 NCC(N)CCC(=O)O Amb27837536 [0,1,0,0,0,0|2,0,1]=4 518 B8R0.9 NCC(O)CCC(=O)O Amb29838305 [0,1,0,0,0,0|1,0,1]=3 519 B8R0.9 NCC(O)CCC(=O)[O-] Amb33330648 [0,1,0,0,0,0|1,0,2]=4 520 B8R0.9 NC[C@@H](O)CCC(=O)O Amb27477096 [0,1,0,0,0,0|1,0,1]=3 521 B8R0.9 NC[C@H](N)CCC(=O)O Amb28068164 [0,1,0,0,0,0|2,0,1]=4 522 B8R0.9 NNC(=O)CCC(N)=O Amb595603 [0,1,0,0,0,0|2,0,0]=3 523 B8R0.9 NNC(=O)CNC(N)=O Amb24477825 [0,1,0,0,0,0|3,0,0]=4 524 B8R0.9 NNC(=O)NCC(=O)O Amb27623574 [0,1,0,0,0,0|2,0,0]=3 525 B8R0.9 NNC(=O)NCC(N)=O Amb8854040 [0,1,0,0,0,0|3,0,0]=4 526 B8R0.9 N[C@@H](CS)CCC(=O)O Amb28341808 [0,1,0,0,0,0|1,1,1]=4 527 B8R0.9 N[C@H](CF)CCC(=O)O Amb32729481 [0,1,0,0,0,0|2,0,1]=4 528 B8R0.9 N[C@H](CO)CCC(=O)O Amb24685421 [0,1,0,0,0,0|1,0,1]=3 529 B8R0.9 N[C@H](CO)CCC(=O)O Amb32664911 [0,1,0,0,0,0|1,0,1]=3 530 B8R0.9 O=C(O)CCC(=O)CCl Amb25736440 [0,1,0,0,0,0|1,0,0]=2 531 B8R0.9 O=C(O)CCC(O)CCl Amb27799910 [0,1,0,0,0,0|1,0,1]=3 532 B8R0.9 O=C(O)CCC(S)CS Amb27407074 [0,1,0,0,0,0|0,2,1]=4 533 B8R0.9 O=C(O)CC\C(O)=N\O Amb24745795 [0,1,0,0,0,0|0,0,1]=2 534 B8R0.9 O=C(O)CNC(=O)CCl Amb1144436 [0,1,0,0,0,0|2,0,0]=3 535 B8R0.9 O=C(O)CNC(=O)CO Amb18124375 [0,1,0,0,0,0|1,0,0]=2 536 B8R0.9 O=C(O)COC(=O)CCl Amb18644547 [0,1,0,0,0,0|2,0,0]=3 537 B8R0.9 O=C(O)CSC(=O)CS Amb27213308 [0,1,0,0,0,0|1,1,0]=3 538 B8R0.9 O=C(O)CS\C(Cl)=C\Cl Amb27858758 [0,1,0,0,0,0|3,0,0]=4 539 B8R0.9 O=C(O)\C=C\C(=O)NO Amb28060797 [0,1,0,0,0,0|0,0,2]=3 540 B8R0.9 O=CC(=O)CCC(=O)O Amb18642737 [0,1,0,0,0,0|0,0,1]=2 541 B8R0.9 O=NN(O)CCC(=O)O Amb27495384 [0,1,0,0,0,0|1,0,0]=2 542 B8R0.23 BC(CC(=O)O)C(=O)O Amb28287358 [0,1,0,0,0,0|0,0,0]=1 543 B8R0.23 C=C(Br)CC(N)C(=O)O Amb24557771 [0,1,0,0,0,0|2,0,0]=3 544 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O Amb22746251 [0,1,0,0,0,0|2,0,0]=3 545 B8R0.23 C=C(Br)C[C@H](N)C(=O)O Amb25918807 [0,1,0,0,0,0|2,0,0]=3 546 B8R0.23 C=C(Br)[C@@H](O)CC(=O)O Amb27392180 [0,1,0,0,0,0|2,0,0]=3 547 B8R0.23 C=C(C)C(C)CC(=O)O Amb18642614 [0,1,0,0,0,0|2,0,0]=3 548 B8R0.23 C=C(C)C(C)CC(C)=O Amb27607290 [0,1,0,0,0,0|3,0,0]=4 549 B8R0.23 C=C(C)C(N)CC(=O)O Amb2697570 [0,1,0,0,0,0|2,0,0]=3 550 B8R0.23 C=C(C)C(N)CC(N)=O Amb24401112 [0,1,0,0,0,0|3,0,0]=4 551 B8R0.23 C=C(C)C(O)CC(=O)O Amb18642756 [0,1,0,0,0,0|2,0,0]=3 552 B8R0.23 C=C(C)C(O)CC(C)=O Amb27605750 [0,1,0,0,0,0|3,0,0]=4 553 B8R0.23 C=C(C)CC(=O)C(=O)O Amb28073130 [0,1,0,0,0,0|2,0,1]=4 554 B8R0.23 C=C(C)CC(C)C(=O)O Amb24471924 [0,1,0,0,0,0|2,0,0]=3 555 B8R0.23 C=C(C)CC(C)C(C)=O Amb28203090 [0,1,0,0,0,0|3,0,0]=4 556 B8R0.23 C=C(C)CC(Cl)C(C)=O Amb27458140 [0,1,0,0,0,0|3,0,0]=4 557 B8R0.23 C=C(C)CC(N)C(=O)O Amb6280366 [0,1,0,0,0,0|2,0,0]=3 558 B8R0.23 C=C(C)CC(N)C(N)=O Amb26326676 [0,1,0,0,0,0|3,0,0]=4 559 B8R0.23 C=C(C)CC(O)C(=O)O Amb24534477 [0,1,0,0,0,0|2,0,0]=3 560 B8R0.23 C=C(C)C[C@@H](C)C(=O)O Amb24340253 [0,1,0,0,0,0|2,0,0]=3 561 B8R0.23 C=C(C)C[C@@H](N)C(=O)O Amb22801689 [0,1,0,0,0,0|2,0,0]=3 562 B8R0.23 C=C(C)C[C@H](C)C(=O)O Amb10843988 [0,1,0,0,0,0|2,0,0]=3 563 B8R0.23 C=C(C)C[C@H](N)C(=O)O Amb25757900 [0,1,0,0,0,0|2,0,0]=3 564 B8R0.23 C=C(C)[C@@H](O)CC(=O)O Amb25789715 [0,1,0,0,0,0|2,0,0]=3 565 B8R0.23 C=C(C)[C@@H](O)CC(C)=O Amb26477424 [0,1,0,0,0,0|3,0,0]=4 566 B8R0.23 C=C(C)[C@H](C)CC(=O)O Amb27447241 [0,1,0,0,0,0|2,0,0]=3 567 B8R0.23 C=C(C)[C@H](O)CC(=O)O Amb28286173 [0,1,0,0,0,0|2,0,0]=3 568 B8R0.23 C=C(C)[C@H](O)CC(C)=O Amb27409964 [0,1,0,0,0,0|3,0,0]=4 569 B8R0.23 C=C(CC(=O)Cl)C(=O)Cl Amb17938995 [0,1,0,0,0,0|2,0,1]=4 570 B8R0.23 C=C(CC(=O)O)C(=O)O Amb6608656 [0,1,0,0,0,0|0,0,1]=2 571 B8R0.23 C=C(CC(=O)O)C(C)=O Amb27831643 [0,1,0,0,0,0|1,0,1]=3 572 B8R0.23 C=C(CC(=O)O)C(N)=O Amb22011744 [0,1,0,0,0,0|1,0,1]=3 573 B8R0.23 C=C(CN(C)O)C(=O)O Amb27640409 [0,1,0,0,0,0|2,0,1]=4 574 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb24411473 [0,1,0,0,0,0|2,0,0]=3 575 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb28935021 [0,1,0,0,0,0|2,0,0]=3 576 B8R0.23 C=C(Cl)CC(N)C(N)=O Amb33308519 [0,1,0,0,0,0|3,0,0]=4 577 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660529 [0,1,0,0,0,0|2,0,0]=3 578 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660530 [0,1,0,0,0,0|2,0,0]=3 579 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb28059492 [0,1,0,0,0,0|2,0,0]=3 580 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb32656263 [0,1,0,0,0,0|2,0,0]=3 581 B8R0.23 C=C(F)CC(C)C(=O)O Amb27975781 [0,1,0,0,0,0|2,0,0]=3 582 B8R0.23 C=C(F)CC(Cl)C(=O)O Amb27876022 [0,1,0,0,0,0|2,0,0]=3 583 B8R0.23 C=C(F)C[C@@H](N)C(=O)O Amb27771842 [0,1,0,0,0,0|2,0,0]=3 584 B8R0.23 C=C(NC(C)=O)C(=O)O Amb8513049 [0,1,0,0,0,0|2,0,1]=4 585 B8R0.23 C=C(O)CC(O)C(O)O Amb24730260 [0,1,0,0,0,0|1,0,2]=4 586 B8R0.23 CC(=O)C(=O)CC(=O)O Amb17593364 [0,1,0,0,0,0|1,0,1]=3 587 B8R0.23 CC(=O)C(Br)CC(=O)O Amb27834306 [0,1,0,0,0,0|1,0,0]=2 588 B8R0.23 CC(=O)C(C)CC(=O)O Amb18292788 [0,1,0,0,0,0|1,0,0]=2 589 B8R0.23 CC(=O)C(C)NC(N)=O Amb27778024 [0,1,0,0,0,0|3,0,0]=4 590 B8R0.23 CC(=O)C(C)SC(=O)Cl Amb32679654 [0,1,0,0,0,0|3,0,0]=4 591 B8R0.23 CC(=O)C(Cl)CC(C)O Amb27454439 [0,1,0,0,0,0|2,0,1]=4 592 B8R0.23 CC(=O)C(Cl)C[N+](=O)[O-] Amb27954705 [0,1,0,0,0,0|2,0,1]=4 593 B8R0.23 CC(=O)C(N)CC(=O)O Amb2697582 [0,1,0,0,0,0|1,0,0]=2 594 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [0,1,0,0,0,0|2,0,0]=3 595 B8R0.23 CC(=O)C(O)CC(=O)O Amb25341886 [0,1,0,0,0,0|1,0,0]=2 596 B8R0.23 CC(=O)CC(=O)C(=O)O Amb18642736 [0,1,0,0,0,0|1,0,1]=3 597 B8R0.23 CC(=O)CC(=O)C(C)=O Amb25806867 [0,1,0,0,0,0|2,0,1]=4 598 B8R0.23 CC(=O)CC(C)C(=O)O Amb3939893 [0,1,0,0,0,0|1,0,0]=2 599 B8R0.23 CC(=O)CC(C)C(C)=O Amb26490545 [0,1,0,0,0,0|2,0,0]=3 600 B8R0.23 CC(=O)CC(C)[N+](=O)[O-] Amb27210764 [0,1,0,0,0,0|2,0,1]=4 601 B8R0.23 CC(=O)CC(N)C(=O)O Amb18832532 [0,1,0,0,0,0|1,0,0]=2 602 B8R0.23 CC(=O)CC(N)C(=O)O Amb22546289 [0,1,0,0,0,0|1,0,0]=2 603 B8R0.23 CC(=O)CC(N)C(N)=O Amb27485103 [0,1,0,0,0,0|2,0,0]=3 604 B8R0.23 CC(=O)CC(O)C(=O)O Amb22500917 [0,1,0,0,0,0|1,0,0]=2 605 B8R0.23 CC(=O)CN(C)C(C)=O Amb27267241 [0,1,0,0,0,0|3,0,0]=4 606 B8R0.23 CC(=O)C[C@@H](N)C(=O)O Amb22745939 [0,1,0,0,0,0|1,0,0]=2 607 B8R0.23 CC(=O)C[C@@H](O)C(=O)O Amb26845481 [0,1,0,0,0,0|1,0,0]=2 608 B8R0.23 CC(=O)C[C@H](C)C(=O)O Amb26318005 [0,1,0,0,0,0|1,0,0]=2 609 B8R0.23 CC(=O)C[C@H](C)C(C)=O Amb28051038 [0,1,0,0,0,0|2,0,0]=3 610 B8R0.23 CC(=O)C[C@H](N)C(=O)O Amb27832342 [0,1,0,0,0,0|1,0,0]=2 611 B8R0.23 CC(=O)C[C@H](O)C(=O)O Amb24358758 [0,1,0,0,0,0|1,0,0]=2 612 B8R0.23 CC(=O)N(C)CC(=O)O Amb33526797 [0,1,0,0,0,0|2,0,0]=3 613 B8R0.23 CC(=O)N(C)CC(N)=O Amb8999134 [0,1,0,0,0,0|3,0,0]=4 614 B8R0.23 CC(=O)N(Cl)CC(=O)O Amb28366945 [0,1,0,0,0,0|2,0,0]=3 615 B8R0.23 CC(=O)NC(Br)C(C)=O Amb28285135 [0,1,0,0,0,0|3,0,0]=4 616 B8R0.23 CC(=O)NC(C)C(=O)O Amb9745652 [0,1,0,0,0,0|2,0,0]=3 617 B8R0.23 CC(=O)NC(C)C(C)=O Amb3093787 [0,1,0,0,0,0|3,0,0]=4 618 B8R0.23 CC(=O)NC(C)C(N)=O Amb4018750 [0,1,0,0,0,0|3,0,0]=4 619 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Amb8390375 [0,1,0,0,0,0|2,0,0]=3 620 B8R0.23 CC(=O)N[C@@H](C)C(N)=O Amb22168264 [0,1,0,0,0,0|3,0,0]=4 621 B8R0.23 CC(=O)N[C@H](C)C(=O)O Amb19944277 [0,1,0,0,0,0|2,0,0]=3 622 B8R0.23 CC(=O)OC(C)C(=O)Cl Amb25920188 [0,1,0,0,0,0|3,0,0]=4 623 B8R0.23 CC(=O)OC(C)C(=O)O Amb22360672 [0,1,0,0,0,0|2,0,0]=3 624 B8R0.23 CC(=O)OC(C)C(C)=O Amb4021650 [0,1,0,0,0,0|3,0,0]=4 625 B8R0.23 CC(=O)OC(C)C(N)=O Amb27179906 [0,1,0,0,0,0|3,0,0]=4 626 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl Amb3939242 [0,1,0,0,0,0|3,0,0]=4 627 B8R0.23 CC(=O)O[C@@H](C)C(=O)O Amb3938984 [0,1,0,0,0,0|2,0,0]=3 628 B8R0.23 CC(=O)O[C@@H](C)C(C)=O Amb26074254 [0,1,0,0,0,0|3,0,0]=4 629 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl Amb27411067 [0,1,0,0,0,0|3,0,0]=4 630 B8R0.23 CC(=O)O[C@H](C)C(=O)O Amb26458759 [0,1,0,0,0,0|2,0,0]=3 631 B8R0.23 CC(=O)O[C@H](C)C(N)=O Amb27227531 [0,1,0,0,0,0|3,0,0]=4 632 B8R0.23 CC(=O)S[C@@H](C)C(=O)O Amb26639910 [0,1,0,0,0,0|2,0,0]=3 633 B8R0.23 CC(=O)S[C@H](C)C(=O)O Amb28118658 [0,1,0,0,0,0|2,0,0]=3 634 B8R0.23 CC(=O)[C@@H](N)CC(N)=O Amb28044564 [0,1,0,0,0,0|2,0,0]=3 635 B8R0.23 CC(=O)[C@@H](O)CC(=O)O Amb28398474 [0,1,0,0,0,0|1,0,0]=2 636 B8R0.23 CC(=O)[C@H](C)CC(=O)O Amb25360184 [0,1,0,0,0,0|1,0,0]=2 637 B8R0.23 CC(=O)\C(Br)=C\C(=O)O Amb27983634 [0,1,0,0,0,0|1,0,2]=4 638 B8R0.23 CC(=O)\C(C)=C\C(=O)O Amb27838567 [0,1,0,0,0,0|1,0,2]=4 639 B8R0.23 CC(=O)\C=C(/C)C(=O)O Amb18642577 [0,1,0,0,0,0|1,0,2]=4 640 B8R0.23 CC(=O)\C=C(/N)C(=O)O Amb28206217 [0,1,0,0,0,0|1,0,2]=4 641 B8R0.23 CC(=O)\C=C(/O)C(=O)O Amb28122229 [0,1,0,0,0,0|1,0,2]=4 642 B8R0.23 CC(=O)\C=C(\Br)C(=O)O Amb27419942 [0,1,0,0,0,0|1,0,2]=4 643 B8R0.23 CC(=O)\C=C(\O)C(=O)O Amb25856143 [0,1,0,0,0,0|1,0,2]=4 644 B8R0.23 CC(=S)NC(C)C(=O)O Amb27876447 [0,1,0,0,0,0|2,1,0]=4 645 B8R0.23 CC(Br)CC(C)C(=O)O Amb27760411 [0,1,0,0,0,0|2,0,1]=4 646 B8R0.23 CC(C)=C(C)CC(=O)O Amb18642613 [0,1,0,0,0,0|2,0,1]=4 647 B8R0.23 CC(C)=CC(O)C(=O)O Amb28346343 [0,1,0,0,0,0|2,0,1]=4 648 B8R0.23 CC(C)=C[C@@H](O)C(=O)O Amb27228179 [0,1,0,0,0,0|2,0,1]=4 649 B8R0.23 CC(C)=C[C@H](O)C(=O)O Amb27473652 [0,1,0,0,0,0|2,0,1]=4 650 B8R0.23 CC(C)C(C)CC(=O)O Amb10844380 [0,1,0,0,0,0|2,0,1]=4 651 B8R0.23 CC(C)C(Cl)CC(=O)O Amb27974166 [0,1,0,0,0,0|2,0,1]=4 652 B8R0.23 CC(C)C(N)CC(=O)O Amb2436060 [0,1,0,0,0,0|2,0,1]=4 653 B8R0.23 CC(C)C(N)CC(=O)O Amb31307617 [0,1,0,0,0,0|2,0,1]=4 654 B8R0.23 CC(C)C(O)CC(=O)O Amb17231878 [0,1,0,0,0,0|2,0,1]=4 655 B8R0.23 CC(C)CC(Br)C(=O)O Amb16233356 [0,1,0,0,0,0|2,0,1]=4 656 B8R0.23 CC(C)CC(C)C(=O)O Amb18975244 [0,1,0,0,0,0|2,0,1]=4 657 B8R0.23 CC(C)CC(Cl)C(=O)O Amb17593753 [0,1,0,0,0,0|2,0,1]=4 658 B8R0.23 CC(C)CC(F)C(=O)O Amb24565634 [0,1,0,0,0,0|2,0,1]=4 659 B8R0.23 CC(C)CC(N)C(=O)O Amb9703094 [0,1,0,0,0,0|2,0,1]=4 660 B8R0.23 CC(C)CC(O)C(=O)O Amb2694726 [0,1,0,0,0,0|2,0,1]=4 661 B8R0.23 CC(C)CC(S)C(=O)O Amb18296292 [0,1,0,0,0,0|2,0,1]=4 662 B8R0.23 CC(C)C[C@@H](C)C(=O)O Amb10844070 [0,1,0,0,0,0|2,0,1]=4 663 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O Amb22800398 [0,1,0,0,0,0|2,0,1]=4 664 B8R0.23 CC(C)C[C@@H](F)C(=O)O Amb24616998 [0,1,0,0,0,0|2,0,1]=4 665 B8R0.23 CC(C)C[C@@H](N)C(=O)O Amb2720579 [0,1,0,0,0,0|2,0,1]=4 666 B8R0.23 CC(C)C[C@@H](O)C(=O)O Amb8630052 [0,1,0,0,0,0|2,0,1]=4 667 B8R0.23 CC(C)C[C@@H](S)C(=O)O Amb27786874 [0,1,0,0,0,0|2,0,1]=4 668 B8R0.23 CC(C)C[C@H](Br)C(=O)O Amb22226489 [0,1,0,0,0,0|2,0,1]=4 669 B8R0.23 CC(C)C[C@H](C)C(=O)O Amb10844071 [0,1,0,0,0,0|2,0,1]=4 670 B8R0.23 CC(C)C[C@H](Cl)C(=O)O Amb22388637 [0,1,0,0,0,0|2,0,1]=4 671 B8R0.23 CC(C)C[C@H](F)C(=O)O Amb10841083 [0,1,0,0,0,0|2,0,1]=4 672 B8R0.23 CC(C)C[C@H](N)C(=O)O Amb3499446 [0,1,0,0,0,0|2,0,1]=4 673 B8R0.23 CC(C)C[C@H](O)C(=O)O Amb16232074 [0,1,0,0,0,0|2,0,1]=4 674 B8R0.23 CC(C)[C@@H](C)CC(=O)O Amb27785773 [0,1,0,0,0,0|2,0,1]=4 675 B8R0.23 CC(C)[C@@H](N)CC(=O)O Amb16184030 [0,1,0,0,0,0|2,0,1]=4 676 B8R0.23 CC(C)[C@@H](N)CC(=O)O Amb22226647 [0,1,0,0,0,0|2,0,1]=4 677 B8R0.23 CC(C)[C@@H](O)CC(=O)O Amb25761246 [0,1,0,0,0,0|2,0,1]=4 678 B8R0.23 CC(C)[C@H](N)CC(=O)O Amb16184024 [0,1,0,0,0,0|2,0,1]=4 679 B8R0.23 CC(C)[C@H](N)CC(=O)O Amb20240790 [0,1,0,0,0,0|2,0,1]=4 680 B8R0.23 CC(C)[C@H](O)CC(=O)O Amb24561913 [0,1,0,0,0,0|2,0,1]=4 681 B8R0.23 CC(CC(=N)N)C(N)=O Amb27209796 [0,1,0,0,0,0|3,0,0]=4 682 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [0,1,0,0,0,0|2,0,0]=3 683 B8R0.23 CC(CC(=O)O)C(=O)O Amb1935053 [0,1,0,0,0,0|0,0,0]=1 684 B8R0.23 CC(CC(=O)O)C(F)F Amb27441233 [0,1,0,0,0,0|2,0,1]=4 685 B8R0.23 CC(CC(=O)O)C(N)=O Amb25737942 [0,1,0,0,0,0|1,0,0]=2 686 B8R0.23 CC(CC(=O)O)C(N)N Amb27481204 [0,1,0,0,0,0|2,0,1]=4 687 B8R0.23 CC(CC(=O)O)N(C)C Amb8428133 [0,1,0,0,0,0|3,0,0]=4 688 B8R0.23 CC(CC(=O)O)N(C)C Amb9173357 [0,1,0,0,0,0|3,0,0]=4 689 B8R0.23 CC(CC(=O)O)N(C)O Amb27639550 [0,1,0,0,0,0|2,0,0]=3 690 B8R0.23 CC(CC(F)F)C(=O)O Amb22896466 [0,1,0,0,0,0|2,0,1]=4 691 B8R0.23 CC(CC(N)=O)C(=O)O Amb27596628 [0,1,0,0,0,0|1,0,0]=2 692 B8R0.23 CC(CC(N)=O)C(N)=O Amb2720769 [0,1,0,0,0,0|2,0,0]=3 693 B8R0.23 CC(CN(C)C)C(=O)O Amb8428203 [0,1,0,0,0,0|3,0,0]=4 694 B8R0.23 CC(CN(C)C)C(=O)O Amb9173365 [0,1,0,0,0,0|3,0,0]=4 695 B8R0.23 CC(CN(C)N)C(=O)O Amb28145156 [0,1,0,0,0,0|3,0,0]=4 696 B8R0.23 CC(CS(=O)O)C(=O)O Amb28118949 [0,1,0,0,0,0|1,0,0]=2 697 B8R0.23 CC(CS(C)=O)C(=O)O Amb18974546 [0,1,0,0,0,0|2,0,0]=3 698 B8R0.23 CC(CS(C)=O)C(N)=O Amb27981416 [0,1,0,0,0,0|3,0,0]=4 699 B8R0.23 CC(C[PH](=O)O)C(=O)O Amb27477749 [0,1,0,0,0,0|1,0,0]=2 700 B8R0.23 CC(Cl)CC(N)C(=O)O Amb28325413 [0,1,0,0,0,0|2,0,1]=4 701 B8R0.23 CC(N)C(O)CC(=O)O Amb27796214 [0,1,0,0,0,0|2,0,1]=4 702 B8R0.23 CC(N)CC(N)C(=O)O Amb28144636 [0,1,0,0,0,0|2,0,1]=4 703 B8R0.23 CC(N)CC(O)C(=O)O Amb27975686 [0,1,0,0,0,0|2,0,1]=4 704 B8R0.23 CC(NC(=N)N)C(=O)O Amb22522920 [0,1,0,0,0,0|3,0,0]=4 705 B8R0.23 CC(NC(=S)S)C(=O)O Amb25336384 [0,1,0,0,0,0|1,2,0]=4 706 B8R0.23 CC(NC(N)=O)C(=O)O Amb9745673 [0,1,0,0,0,0|2,0,0]=3 707 B8R0.23 CC(N[N+](=O)[O-])C(=O)O Amb27873513 [0,1,0,0,0,0|2,0,1]=4 708 B8R0.23 CC(O)C(N)CC(=O)O Amb27424723 [0,1,0,0,0,0|1,0,1]=3 709 B8R0.23 CC(O)C(N)CC(N)=O Amb27246007 [0,1,0,0,0,0|2,0,1]=4 710 B8R0.23 CC(O)CC(=O)C(=O)O Amb25789747 [0,1,0,0,0,0|1,0,2]=4 711 B8R0.23 CC(O)CC(N)C(=O)O Amb18642918 [0,1,0,0,0,0|1,0,1]=3 712 B8R0.23 CC(O)CC(N)C(N)=O Amb33065888 [0,1,0,0,0,0|2,0,1]=4 713 B8R0.23 CC(O)C[C@@H](N)C(=O)O Amb26985188 [0,1,0,0,0,0|1,0,1]=3 714 B8R0.23 CC(O)C[C@H](N)C(=O)O Amb27185464 [0,1,0,0,0,0|1,0,1]=3 715 B8R0.23 CC(OC(=O)Cl)C(=O)O Amb27241520 [0,1,0,0,0,0|2,0,0]=3 716 B8R0.23 CC(O[N+](=O)[O-])C(=O)O Amb27947983 [0,1,0,0,0,0|2,0,1]=4 717 B8R0.23 CC(\N=C(/N)S)C(=O)O Amb22229340 [0,1,0,0,0,0|2,1,0]=4 718 B8R0.23 CN(C)CC(N)C(=O)O Amb23558085 [0,1,0,0,0,0|3,0,0]=4 719 B8R0.23 CN(C)CC(N)C(=O)O Amb32644516 [0,1,0,0,0,0|3,0,0]=4 720 B8R0.23 CN(C)CC(N)C(=O)O Amb33756799 [0,1,0,0,0,0|3,0,0]=4 721 B8R0.23 CN(C)CC(O)C(=O)O Amb27856754 [0,1,0,0,0,0|3,0,0]=4 722 B8R0.23 CN(C)C[C@@H](N)C(=O)O Amb19889770 [0,1,0,0,0,0|3,0,0]=4 723 B8R0.23 CN(C)C[C@H](N)C(=O)O Amb24078627 [0,1,0,0,0,0|3,0,0]=4 724 B8R0.23 CN(C)C[C@H](N)C(=O)O Amb8515079 [0,1,0,0,0,0|3,0,0]=4 725 B8R0.23 CN(C)C[C@H](O)C(=O)O Amb24372674 [0,1,0,0,0,0|3,0,0]=4 726 B8R0.23 CN(CC(=O)O)C(=N)N Amb22167307 [0,1,0,0,0,0|3,0,0]=4 727 B8R0.23 CN(CC(=O)O)C(=N)N Amb3940365 [0,1,0,0,0,0|3,0,0]=4 728 B8R0.23 CN(CC(=O)O)C(=N)N Amb5638543 [0,1,0,0,0,0|3,0,0]=4 729 B8R0.23 CN(CC(=O)O)C(=O)Cl Amb27484119 [0,1,0,0,0,0|2,0,0]=3 730 B8R0.23 CN(CC(=O)O)C(=S)S Amb1042470 [0,1,0,0,0,0|1,2,0]=4 731 B8R0.23 CN(CC(=O)O)C(N)=O Amb2371395 [0,1,0,0,0,0|2,0,0]=3 732 B8R0.23 CN(CC(=O)O)S(C)=O Amb27862060 [0,1,0,0,0,0|3,0,0]=4 733 B8R0.23 CN(CC(=O)O)[N+](=O)[O-] Amb27154042 [0,1,0,0,0,0|2,0,1]=4 734 B8R0.23 CS(=N)C[C@H](N)C(=O)O Amb27838573 [0,1,0,0,0,0|3,0,0]=4 735 B8R0.23 CS(=O)CC(N)C(=O)O Amb18125279 [0,1,0,0,0,0|2,0,0]=3 736 B8R0.23 CS(=O)CC(N)C(N)=O Amb27608115 [0,1,0,0,0,0|3,0,0]=4 737 B8R0.23 CS(=O)C[C@@H](N)C(=O)O Amb22745418 [0,1,0,0,0,0|2,0,0]=3 738 B8R0.23 CS(=O)C[C@H](N)C(=O)O Amb16232229 [0,1,0,0,0,0|2,0,0]=3 739 B8R0.23 C[C@@H](CC(=O)O)C(=O)O Amb22226742 [0,1,0,0,0,0|0,0,0]=1 740 B8R0.23 C[C@@H](CC(F)F)C(=O)O Amb33749533 [0,1,0,0,0,0|2,0,1]=4 741 B8R0.23 C[C@@H](Cl)C[C@H](N)C(=O)O Amb27863035 [0,1,0,0,0,0|2,0,1]=4 742 B8R0.23 C[C@@H](NC(N)=O)C(=O)O Amb27242972 [0,1,0,0,0,0|2,0,0]=3 743 B8R0.23 C[C@@H](NC(N)=O)C(N)=O Amb27394390 [0,1,0,0,0,0|3,0,0]=4 744 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O Amb27254158 [0,1,0,0,0,0|1,0,1]=3 745 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Amb22168848 [0,1,0,0,0,0|1,0,1]=3 746 B8R0.23 C[C@@H](OC(N)=O)C(=O)O Amb35655773 [0,1,0,0,0,0|2,0,0]=3 747 B8R0.23 C[C@H](CC(=O)O)C(=O)O Amb22225399 [0,1,0,0,0,0|0,0,0]=1 748 B8R0.23 C[C@H](CC(=O)O)C(Cl)Cl Amb28292581 [0,1,0,0,0,0|2,0,1]=4 749 B8R0.23 C[C@H](CC(=O)O)C(N)=O Amb28133461 [0,1,0,0,0,0|1,0,0]=2 750 B8R0.23 C[C@H](CC(=O)O)S(C)=O Amb27410588 [0,1,0,0,0,0|2,0,0]=3 751 B8R0.23 C[C@H](CC(F)F)C(=O)O Amb33727762 [0,1,0,0,0,0|2,0,1]=4 752 B8R0.23 C[C@H](N)C(O)CC(=O)O Amb27622153 [0,1,0,0,0,0|2,0,1]=4 753 B8R0.23 C[C@H](N)C[C@@H](O)C(=O)O Amb27231129 [0,1,0,0,0,0|2,0,1]=4 754 B8R0.23 C[C@H](N)C[C@H](N)C(=O)O Amb27815088 [0,1,0,0,0,0|2,0,1]=4 755 B8R0.23 C[C@H](N)C[C@H](O)C(=O)O Amb27180466 [0,1,0,0,0,0|2,0,1]=4 756 B8R0.23 C[C@H](N)[C@H](O)CC(=O)O Amb27975677 [0,1,0,0,0,0|2,0,1]=4 757 B8R0.23 C[C@H](NC(=N)N)C(=O)O Amb24388432 [0,1,0,0,0,0|3,0,0]=4 758 B8R0.23 C[C@H](NC(=O)Cl)C(=O)Cl Amb28292733 [0,1,0,0,0,0|3,0,0]=4 759 B8R0.23 C[C@H](NC(N)=O)C(=O)O Amb545023 [0,1,0,0,0,0|2,0,0]=3 760 B8R0.23 C[C@H](NS(C)=O)C(=O)O Amb27212723 [0,1,0,0,0,0|3,0,0]=4 761 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O Amb16184021 [0,1,0,0,0,0|1,0,1]=3 762 B8R0.23 C[S@@](=O)C[C@H](N)C(=O)O Amb35789128 [0,1,0,0,0,0|2,0,0]=3 763 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb33756818 [0,1,0,0,0,0|2,0,0]=3 764 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb35788678 [0,1,0,0,0,0|2,0,0]=3 765 B8R0.23 C\C(=C/C(=O)O)C(=O)O Amb9703112 [0,1,0,0,0,0|0,0,2]=3 766 B8R0.23 C\C(=C/C(=O)O)C(N)=O Amb28350555 [0,1,0,0,0,0|1,0,2]=4 767 B8R0.23 C\C(=C/C(N)=O)C(=O)O Amb28060883 [0,1,0,0,0,0|1,0,2]=4 768 B8R0.23 C\C(=C\C(=O)O)C(=O)O Amb8391132 [0,1,0,0,0,0|0,0,2]=3 769 B8R0.23 C\C(Cl)=C/C(C)C(=O)O Amb28285105 [0,1,0,0,0,0|2,0,1]=4 770 B8R0.23 C\C(Cl)=C/C(Cl)C(=O)O Amb28128482 [0,1,0,0,0,0|2,0,1]=4 771 B8R0.23 NC(=O)C(=S)CC(O)=S Amb28323012 [0,1,0,0,0,0|1,1,1]=4 772 B8R0.23 NC(=O)C(N)CC(=O)O Amb18124347 [0,1,0,0,0,0|1,0,0]=2 773 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666212 [0,1,0,0,0,0|1,0,0]=2 774 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666239 [0,1,0,0,0,0|1,0,0]=2 775 B8R0.23 NC(=O)C(O)CC(=O)[O-] Amb33068981 [0,1,0,0,0,0|1,0,1]=3 776 B8R0.23 NC(=O)CC(Br)C(=O)O Amb26012685 [0,1,0,0,0,0|1,0,0]=2 777 B8R0.23 NC(=O)CC(Cl)C(=O)O Amb27478086 [0,1,0,0,0,0|1,0,0]=2 778 B8R0.23 NC(=O)CC(N)C(=O)O Amb2725509 [0,1,0,0,0,0|1,0,0]=2 779 B8R0.23 NC(=O)CC(N)C(=O)O Amb3940878 [0,1,0,0,0,0|1,0,0]=2 780 B8R0.23 NC(=O)CC(N)C(N)=O Amb18289248 [0,1,0,0,0,0|2,0,0]=3 781 B8R0.23 NC(=O)CC(O)C(=O)O Amb27807542 [0,1,0,0,0,0|1,0,0]=2 782 B8R0.23 NC(=O)CC(O)C(N)=O Amb27961515 [0,1,0,0,0,0|2,0,0]=3 783 B8R0.23 NC(=O)CC(S)C(=O)O Amb27494183 [0,1,0,0,0,0|1,0,0]=2 784 B8R0.23 NC(=O)C[C@@H](Br)C(=O)O Amb27858620 [0,1,0,0,0,0|1,0,0]=2 785 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb10071271 [0,1,0,0,0,0|1,0,0]=2 786 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb17749060 [0,1,0,0,0,0|1,0,0]=2 787 B8R0.23 NC(=O)C[C@@H](N)C(N)=O Amb28423711 [0,1,0,0,0,0|2,0,0]=3 788 B8R0.23 NC(=O)C[C@@H](O)C(=O)O Amb24681022 [0,1,0,0,0,0|1,0,0]=2 789 B8R0.23 NC(=O)C[C@@H](O)C(N)=O Amb27258074 [0,1,0,0,0,0|2,0,0]=3 790 B8R0.23 NC(=O)C[C@@H](S)C(=O)O Amb27234637 [0,1,0,0,0,0|1,0,0]=2 791 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb3940760 [0,1,0,0,0,0|1,0,0]=2 792 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb8513755 [0,1,0,0,0,0|1,0,0]=2 793 B8R0.23 NC(=O)C[C@H](N)C(N)=O Amb16183882 [0,1,0,0,0,0|2,0,0]=3 794 B8R0.23 NC(=O)C[C@H](S)C(=O)O Amb27253643 [0,1,0,0,0,0|1,0,0]=2 795 B8R0.23 NC(=O)N(N)CC(=O)O Amb6296397 [0,1,0,0,0,0|2,0,0]=3 796 B8R0.23 NC(=O)NC(=O)C(=O)O Amb18124345 [0,1,0,0,0,0|2,0,1]=4 797 B8R0.23 NC(=O)NC(O)C(=O)O Amb24592607 [0,1,0,0,0,0|2,0,0]=3 798 B8R0.23 NC(=O)N[C@@H](O)C(=O)O Amb28287313 [0,1,0,0,0,0|2,0,0]=3 799 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb19334954 [0,1,0,0,0,0|1,0,0]=2 800 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb31291739 [0,1,0,0,0,0|1,0,0]=2 801 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb32652393 [0,1,0,0,0,0|1,0,0]=2 802 B8R0.23 NC(=O)[C@H](N)CC(=O)O Amb27768775 [0,1,0,0,0,0|1,0,0]=2 803 B8R0.23 NC(=O)\C(N)=C\C(=O)O Amb28046027 [0,1,0,0,0,0|1,0,2]=4 804 B8R0.23 NC(=O)\C=C(/Cl)C(=O)O Amb27815058 [0,1,0,0,0,0|1,0,2]=4 805 B8R0.23 NC(=O)\C=C(\F)C(=O)O Amb27447226 [0,1,0,0,0,0|1,0,2]=4 806 B8R0.23 NC(=S)C[C@H](N)C(=O)O Amb28410343 [0,1,0,0,0,0|1,1,0]=3 807 B8R0.23 NC(C=C(Cl)Cl)C(=O)O Amb22350718 [0,1,0,0,0,0|2,0,1]=4 808 B8R0.23 NC(C=S(=O)=O)C(=O)O Amb27231764 [0,1,0,0,0,0|1,0,2]=4 809 B8R0.23 NC(CB(O)O)C(=O)O Amb28285179 [0,1,0,0,0,0|1,0,1]=3 810 B8R0.23 NC(CB(O)O)C(=O)O Amb33803309 [0,1,0,0,0,0|1,0,1]=3 811 B8R0.23 NC(CC(=O)O)C(=O)O Amb9702780 [0,1,0,0,0,0|0,0,0]=1 812 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22167994 [0,1,0,0,0,0|0,0,1]=2 813 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22337568 [0,1,0,0,0,0|0,0,1]=2 814 B8R0.23 NC(CC(=O)O)C(Cl)Cl Amb27964120 [0,1,0,0,0,0|2,0,1]=4 815 B8R0.23 NC(CC(=O)O)C(F)F Amb23570587 [0,1,0,0,0,0|2,0,1]=4 816 B8R0.23 NC(CC(Cl)Cl)C(=O)O Amb27791749 [0,1,0,0,0,0|2,0,1]=4 817 B8R0.23 NC(CC(F)F)C(=O)O Amb13952714 [0,1,0,0,0,0|2,0,1]=4 818 B8R0.23 NC(CC(F)F)C(=O)O Amb33546007 [0,1,0,0,0,0|2,0,1]=4 819 B8R0.23 NC(CS(=O)O)C(=O)O Amb541272 [0,1,0,0,0,0|1,0,0]=2 820 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb34163080 [0,1,0,0,0,0|0,0,0]=1 821 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb3940320 [0,1,0,0,0,0|0,0,0]=1 822 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] Amb22801032 [0,1,0,0,0,0|0,0,1]=2 823 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb20240565 [0,1,0,0,0,0|0,0,1]=2 824 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb22748769 [0,1,0,0,0,0|0,0,1]=2 825 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] Amb22757383 [0,1,0,0,0,0|0,0,2]=3 826 B8R0.23 N[C@@H](CC(F)F)C(=O)O Amb26944439 [0,1,0,0,0,0|2,0,1]=4 827 B8R0.23 N[C@@H](CC(F)F)C(=O)O Amb33482837 [0,1,0,0,0,0|2,0,1]=4 828 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb6600148 [0,1,0,0,0,0|1,0,0]=2 829 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb9809803 [0,1,0,0,0,0|1,0,0]=2 830 B8R0.23 N[C@@H](C[SH](=O)=O)C(=O)O Amb27858626 [0,1,0,0,0,0|1,0,1]=3 831 B8R0.23 N[C@H](CC(=O)O)C(=O)O Amb6599992 [0,1,0,0,0,0|0,0,0]=1 832 B8R0.23 N[C@H](CC(F)F)C(=O)O Amb25117310 [0,1,0,0,0,0|2,0,1]=4 833 B8R0.23 N[C@H](CC(F)F)C(=O)O Amb33743521 [0,1,0,0,0,0|2,0,1]=4 834 B8R0.23 O=C(Cl)CC(Cl)C(=O)Cl Amb28122555 [0,1,0,0,0,0|2,0,0]=3 835 B8R0.23 O=C(O)C(=O)C[PH](=O)O Amb27218009 [0,1,0,0,0,0|1,0,1]=3 836 B8R0.23 O=C(O)C(O)CC(F)F Amb25274709 [0,1,0,0,0,0|2,0,1]=4 837 B8R0.23 O=C(O)C(O)CC(O)O Amb28397948 [0,1,0,0,0,0|0,0,2]=3 838 B8R0.23 O=C(O)C(O)C[N+](=O)[O-] Amb6883775 [0,1,0,0,0,0|1,0,1]=3 839 B8R0.23 O=C(O)CC(=O)C(=O)O Amb3909986 [0,1,0,0,0,0|0,0,1]=2 840 B8R0.23 O=C(O)CC(=S)C(=O)O Amb25304511 [0,1,0,0,0,0|0,0,1]=2 841 B8R0.23 O=C(O)CC(Br)C(=O)O Amb3941503 [0,1,0,0,0,0|0,0,0]=1 842 B8R0.23 O=C(O)CC(Cl)=C(Cl)Cl Amb2227973 [0,1,0,0,0,0|2,0,1]=4 843 B8R0.23 O=C(O)CC(Cl)C(=O)O Amb9825869 [0,1,0,0,0,0|0,0,0]=1 844 B8R0.23 O=C(O)CC(O)C(=O)O Amb8513238 [0,1,0,0,0,0|0,0,0]=1 845 B8R0.23 O=C(O)CC(O)C(Cl)Cl Amb27985520 [0,1,0,0,0,0|2,0,1]=4 846 B8R0.23 O=C(O)CC(S)C(=O)O Amb2779994 [0,1,0,0,0,0|0,0,0]=1 847 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O Amb22504149 [0,1,0,0,0,0|0,0,0]=1 848 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O Amb20242424 [0,1,0,0,0,0|0,0,0]=1 849 B8R0.23 O=C(O)C[C@@H](F)C(=O)O Amb27173500 [0,1,0,0,0,0|0,0,0]=1 850 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Amb4166311 [0,1,0,0,0,0|0,0,0]=1 851 B8R0.23 O=C(O)C[C@@H](O)C(F)F Amb33337779 [0,1,0,0,0,0|2,0,1]=4 852 B8R0.23 O=C(O)C[C@H](Br)C(=O)O Amb8629197 [0,1,0,0,0,0|0,0,0]=1 853 B8R0.23 O=C(O)C[C@H](Cl)C(=O)O Amb20242425 [0,1,0,0,0,0|0,0,0]=1 854 B8R0.23 O=C(O)C[C@H](F)C(=O)O Amb27167819 [0,1,0,0,0,0|0,0,0]=1 855 B8R0.23 O=C(O)C[C@H](O)C(=O)O Amb6599993 [0,1,0,0,0,0|0,0,0]=1 856 B8R0.23 O=C(O)C[C@H](O)C(F)F Amb33485299 [0,1,0,0,0,0|2,0,1]=4 857 B8R0.23 O=C(O)[C@H](Cl)CC(Cl)Cl Amb27831354 [0,1,0,0,0,0|2,0,1]=4 858 B8R0.23 O=C(O)\C=C(/Br)C(=O)O Amb31275762 [0,1,0,0,0,0|0,0,2]=3 859 B8R0.23 O=C(O)\C=C(/Cl)C(=O)O Amb4007497 [0,1,0,0,0,0|0,0,2]=3 860 B8R0.23 O=C(O)\C=C(/F)C(=O)O Amb26860064 [0,1,0,0,0,0|0,0,2]=3 861 B8R0.23 O=C(O)\C=C(/I)C(=O)O Amb10755055 [0,1,0,0,0,0|0,0,2]=3 862 B8R0.23 O=C(O)\C=C(\Br)C(=O)O Amb25746120 [0,1,0,0,0,0|0,0,2]=3 863 B8R0.23 O=C(O)\C=C(\F)C(=O)O Amb18124397 [0,1,0,0,0,0|0,0,2]=3 864 B8R0.23 O=C([O-])CC(O)C(=O)[O-] Amb30876864 [0,1,0,0,0,0|0,0,2]=3 865 B8R0.23 O=C([O-])C[C@H](O)C(=O)[O-] Amb22351833 [0,1,0,0,0,0|0,0,2]=3 866 B8R0.29 C=C(C)CCP(=O)(O)O Amb27163975 [0,1,0,0,0,0|3,0,0]=4 867 B8R0.29 CC(=O)CCC(C)(C)O Amb26961451 [0,1,0,0,0,0|2,0,1]=4 868 B8R0.29 CC(=O)CCS(C)(=O)=O Amb18181020 [0,1,0,0,0,0|2,0,1]=4 869 B8R0.29 CC(=O)CSS(=O)(=O)O Amb27256676 [0,1,0,0,0,0|3,0,0]=4 870 B8R0.29 CC(=O)NCP(=O)(O)O Amb26515978 [0,1,0,0,0,0|3,0,0]=4 871 B8R0.29 CC(C)(Br)CCC(=O)O Amb27402242 [0,1,0,0,0,0|2,0,1]=4 872 B8R0.29 CC(C)(C)CCC(=O)O Amb8467936 [0,1,0,0,0,0|2,0,1]=4 873 B8R0.29 CC(C)(Cl)CCC(=O)O Amb18644451 [0,1,0,0,0,0|2,0,1]=4 874 B8R0.29 CC(C)(F)CCC(=O)O Amb26316862 [0,1,0,0,0,0|2,0,1]=4 875 B8R0.29 CC(C)(N)CCC(=O)O Amb13951332 [0,1,0,0,0,0|2,0,1]=4 876 B8R0.29 CC(C)(N)CCC(=O)O Amb6740013 [0,1,0,0,0,0|2,0,1]=4 877 B8R0.29 CC(C)(O)CCC(=O)[O-] Amb33552947 [0,1,0,0,0,0|1,0,2]=4 878 B8R0.29 CC(C)(O)CCC(N)=O Amb27667598 [0,1,0,0,0,0|2,0,1]=4 879 B8R0.29 CC(C)(S)CCC(=O)O Amb22489759 [0,1,0,0,0,0|1,1,1]=4 880 B8R0.29 CC(F)(F)CCC(=O)O Amb6252611 [0,1,0,0,0,0|2,0,1]=4 881 B8R0.29 CP(=O)(O)CCC(=O)O Amb1792559 [0,1,0,0,0,0|1,0,0]=2 882 B8R0.29 CP(=O)(O)OCC(=O)O Amb26578720 [0,1,0,0,0,0|2,0,0]=3 883 B8R0.29 CS(=N)(=O)NCC(=O)O Amb35687837 [0,1,0,0,0,0|3,0,0]=4 884 B8R0.29 CS(=O)(=O)CCC(=O)O Amb6275720 [0,1,0,0,0,0|1,0,1]=3 885 B8R0.29 CS(=O)(=O)NCC(=O)O Amb1120433 [0,1,0,0,0,0|2,0,1]=4 886 B8R0.29 CS(=O)(=O)OCC(=O)O Amb25783884 [0,1,0,0,0,0|2,0,1]=4 887 B8R0.29 CS(=O)(=O)SCC(=O)O Amb17610576 [0,1,0,0,0,0|2,0,1]=4 888 B8R0.29 CS(C)(=O)=NCC(=O)O Amb27159666 [0,1,0,0,0,0|3,0,0]=4 889 B8R0.29 C[N+](C)(C)CCC(=O)O Amb24117222 [0,1,0,0,0,0|3,0,0]=4 890 B8R0.29 C[N+](C)(C)CCC(=O)O Amb33803200 [0,1,0,0,0,0|3,0,0]=4 891 B8R0.29 C[N+](C)(N)CCC(=O)O Amb27878681 [0,1,0,0,0,0|3,0,0]=4 892 B8R0.29 NC(=O)CCS(=O)(=O)Cl Amb27427539 [0,1,0,0,0,0|2,0,1]=4 893 B8R0.29 NC(=O)COP(=O)(O)O Amb27760380 [0,1,0,0,0,0|3,0,0]=4 894 B8R0.29 NC(=O)COP(=O)([O-])O Amb33483331 [0,1,0,0,0,0|3,0,0]=4 895 B8R0.29 NS(=O)(=O)CCC(=O)O Amb6741826 [0,1,0,0,0,0|1,0,1]=3 896 B8R0.29 NS(=O)(=O)NCC(=O)O Amb6277125 [0,1,0,0,0,0|2,0,1]=4 897 B8R0.29 O=C(Cl)CCS(=O)(=O)Cl Amb19149215 [0,1,0,0,0,0|2,0,1]=4 898 B8R0.29 O=C(Cl)CCS(=O)(=O)F Amb32717025 [0,1,0,0,0,0|2,0,1]=4 899 B8R0.29 O=C(O)CCC(Cl)(Cl)Cl Amb2725076 [0,1,0,0,0,0|2,0,1]=4 900 B8R0.29 O=C(O)CCC(F)(F)Br Amb10838819 [0,1,0,0,0,0|2,0,1]=4 901 B8R0.29 O=C(O)CCC(F)(F)Cl Amb27848419 [0,1,0,0,0,0|2,0,1]=4 902 B8R0.29 O=C(O)CCC(F)(F)F Amb2778697 [0,1,0,0,0,0|2,0,1]=4 903 B8R0.29 O=C(O)CCP(=O)(O)O Amb2228990 [0,1,0,0,0,0|1,0,0]=2 904 B8R0.29 O=C(O)CCS(=O)(=O)O Amb17399954 [0,1,0,0,0,0|1,0,0]=2 905 B8R0.29 O=C(O)CCS(=O)(=O)[O-] Amb28960294 [0,1,0,0,0,0|1,0,1]=3 906 B8R0.29 O=C(O)COP(=O)(O)O Amb24442945 [0,1,0,0,0,0|2,0,0]=3 907 B8R0.29 O=C(O)\C=C\P(=O)(O)O Amb25242468 [0,1,0,0,0,0|1,0,2]=4 908 B8R0.29 O=C([O-])CC[Si](O)(O)O Amb19893682 [0,1,0,0,0,0|0,1,2]=4 909 B8R0.29 O=S(=O)(O)CCB(O)O Amb27757265 [0,1,0,0,0,0|2,0,1]=4 910 B8R1.3 C=C1CCC(=O)CC1 Amb22229828 [0,0,0,1,0,0|3,0,0]=4 911 B8R1.3 CC1=CCC(=O)CC1 Amb17617292 [0,0,0,1,0,0|3,0,0]=4 912 B8R1.3 CC1=NNC(=O)CC1 Amb2606146 [0,0,0,1,0,0|3,0,0]=4 913 B8R1.3 CC1CCC(=O)CO1 Amb22491005 [0,0,0,1,0,0|2,0,1]=4 914 B8R1.3 CC1CCC(=O)OC1 Amb27667524 [0,0,0,1,0,0|2,0,1]=4 915 B8R1.3 C[C@@H]1CCC(=O)OC1 Amb26004046 [0,0,0,1,0,0|2,0,1]=4 916 B8R1.3 O=C1C=CC(O)CC1 Amb28048996 [0,0,0,1,0,0|2,0,1]=4 917 B8R1.3 O=C1C=CS(=O)CC1 Amb27948688 [0,0,0,1,0,0|3,0,0]=4 918 B8R1.3 O=C1CCC(=O)CC1 Amb6471902 [0,0,0,1,0,0|2,0,0]=3 919 B8R1.3 O=C1CCC(=O)NC1 Amb15692796 [0,0,0,1,0,0|2,0,0]=3 920 B8R1.3 O=C1CCC(=O)NN1 Amb22365926 [0,0,0,1,0,0|2,0,0]=3 921 B8R1.3 O=C1CCC(=O)OC1 Amb26404271 [0,0,0,1,0,0|1,0,0]=2 922 B8R1.3 O=C1CCC(O)CC1 Amb2699831 [0,0,0,1,0,0|2,0,1]=4 923 B8R1.3 O=C1CCC(O)CN1 Amb10066907 [0,0,0,1,0,0|2,0,1]=4 924 B8R1.3 O=C1CCC(O)CO1 Amb26345105 [0,0,0,1,0,0|1,0,1]=3 925 B8R1.3 O=C1CCS(=O)CC1 Amb2612398 [0,0,0,1,0,0|3,0,0]=4 926 B8R1.3 O=C1CC[C@@H](O)CN1 Amb2698033 [0,0,0,1,0,0|2,0,1]=4 927 B8R1.3 O=C1CC[C@H](O)CN1 Amb2698032 [0,0,0,1,0,0|2,0,1]=4 928 B8R1.3 O=C1CNC(=O)C=N1 Amb27838363 [0,0,0,1,0,0|3,0,0]=4 929 B8R1.3 O=C1CNC(=O)CN1 Amb1011605 [0,0,0,1,0,0|3,0,0]=4 930 B8R1.3 O=C1CNC(=O)NN1 Amb27655538 [0,0,0,1,0,0|3,0,0]=4 931 B8R1.3 O=C1COC(=O)CN1 Amb2612815 [0,0,0,1,0,0|2,0,0]=3 932 B8R1.3 O=C1COC(=O)CO1 Amb2725557 [0,0,0,1,0,0|2,0,0]=3 933 B8R1.3 O=C1CSC(=O)SC1 Amb28074747 [0,0,0,1,0,0|2,1,0]=4 934 B8R1.3 O=C1NCC(O)CO1 Amb27210928 [0,0,0,1,0,0|2,0,1]=4 935 B8R1.20 C=C1CC1CC(=O)O Amb25870954 [0,0,0,1,0,0|2,0,0]=3 936 B8R1.20 C=C1CC1CC(C)=O Amb28326031 [0,0,0,1,0,0|3,0,0]=4 937 B8R1.20 C=C1CC1CC(N)=O Amb25138537 [0,0,0,1,0,0|3,0,0]=4 938 B8R1.20 CC(=O)CC1OC1C Amb27767850 [0,0,0,1,0,0|2,0,1]=4 939 B8R1.20 CC1CC1CC(=O)O Amb25316515 [0,0,0,1,0,0|2,0,1]=4 940 B8R1.20 C[C@@H]1C[C@H]1CC(=O)O Amb28058267 [0,0,0,1,0,0|2,0,1]=4 941 B8R1.20 NC1CC1CC(=O)O Amb27201670 [0,0,0,1,0,0|2,0,1]=4 942 B8R1.20 N[C@@H]1C[C@H]1CC(=O)O Amb27252154 [0,0,0,1,0,0|2,0,1]=4 943 B8R1.20 O=C(O)CC1CC1O Amb27981662 [0,0,0,1,0,0|1,0,1]=3 944 B8R1.23 C=C(C)C1CC(=O)N1 Amb27858929 [0,0,0,1,0,0|3,0,0]=4 945 B8R1.23 C=C(C)[C@@H]1CC(=O)N1 Amb28251769 [0,0,0,1,0,0|3,0,0]=4 946 B8R1.23 C=C1CC(C(=O)Cl)C1 Amb10071441 [0,0,0,1,0,0|3,0,0]=4 947 B8R1.23 C=C1CC(C(=O)O)C1 Amb613197 [0,0,0,1,0,0|2,0,0]=3 948 B8R1.23 C=C1CC(C(C)=O)C1 Amb26547728 [0,0,0,1,0,0|3,0,0]=4 949 B8R1.23 C=C1CC(C(N)=O)C1 Amb22896664 [0,0,0,1,0,0|3,0,0]=4 950 B8R1.23 CC(=O)C1C=C(C)C1 Amb24676939 [0,0,0,1,0,0|3,0,0]=4 951 B8R1.23 CC(=O)C1CC(=N)C1 Amb27636166 [0,0,0,1,0,0|3,0,0]=4 952 B8R1.23 CC(=O)C1CC(O)C1 Amb25718423 [0,0,0,1,0,0|2,0,1]=4 953 B8R1.23 CC(=O)N1CC(=O)C1 Amb22896668 [0,0,0,1,0,0|3,0,0]=4 954 B8R1.23 CC(Cl)C1CC(=O)O1 Amb27878702 [0,0,0,1,0,0|2,0,1]=4 955 B8R1.23 CC(O)C1CC(=O)C1 Amb34159488 [0,0,0,1,0,0|2,0,1]=4 956 B8R1.23 CC1CC(C(=O)O)C1 Amb19515989 [0,0,0,1,0,0|2,0,1]=4 957 B8R1.23 CC1CC(C(=O)O)N1 Amb27816510 [0,0,0,1,0,0|2,0,1]=4 958 B8R1.23 CC1CC(C(=O)O)N1 Amb33482923 [0,0,0,1,0,0|2,0,1]=4 959 B8R1.23 CN1CC(C(=O)O)C1 Amb19958116 [0,0,0,1,0,0|3,0,0]=4 960 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 Amb33483898 [0,0,0,1,0,0|2,0,1]=4 961 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 Amb33483920 [0,0,0,1,0,0|2,0,1]=4 962 B8R1.23 C[C@@H]1C[C@H](C(=O)O)N1 Amb33483819 [0,0,0,1,0,0|2,0,1]=4 963 B8R1.23 C[C@@H]1C[C@H](C(=O)O)N1 Amb33483820 [0,0,0,1,0,0|2,0,1]=4 964 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 Amb22746374 [0,0,0,1,0,0|2,0,1]=4 965 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 Amb22746375 [0,0,0,1,0,0|2,0,1]=4 966 B8R1.23 NC(=O)C1CC(=O)N1 Amb27214249 [0,0,0,1,0,0|2,0,0]=3 967 B8R1.23 NC1CC(C(=O)O)C1 Amb10610660 [0,0,0,1,0,0|2,0,1]=4 968 B8R1.23 NC1CC(C(=O)O)C1 Amb33533143 [0,0,0,1,0,0|2,0,1]=4 969 B8R1.23 NS(=O)C1CC(=O)C1 Amb32720658 [0,0,0,1,0,0|3,0,0]=4 970 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 Amb10604131 [0,0,0,1,0,0|2,0,1]=4 971 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 Amb6893769 [0,0,0,1,0,0|2,0,1]=4 972 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 Amb19514893 [0,0,0,1,0,0|2,0,1]=4 973 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 Amb33524058 [0,0,0,1,0,0|2,0,1]=4 974 B8R1.23 O=C(O)C1CC(Br)C1 Amb25889305 [0,0,0,1,0,0|2,0,1]=4 975 B8R1.23 O=C(O)C1CC(Cl)C1 Amb16233600 [0,0,0,1,0,0|2,0,1]=4 976 B8R1.23 O=C(O)C1CC(F)C1 Amb20621267 [0,0,0,1,0,0|2,0,1]=4 977 B8R1.23 O=C(O)C1CC(O)C1 Amb8011535 [0,0,0,1,0,0|1,0,1]=3 978 B8R1.23 O=C(O)C1CS(=O)C1 Amb26056015 [0,0,0,1,0,0|2,0,0]=3 979 B8R1.23 O=C(O)[C@H]1C[C@@H](Br)C1 Amb35751665 [0,0,0,1,0,0|2,0,1]=4 980 B8R1.23 O=C(O)[C@H]1C[C@@H](Cl)C1 Amb28119343 [0,0,0,1,0,0|2,0,1]=4 981 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 Amb27974528 [0,0,0,1,0,0|2,0,1]=4 982 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 Amb19516179 [0,0,0,1,0,0|1,0,1]=3 983 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 Amb24339433 [0,0,0,1,0,0|2,0,1]=4 984 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 Amb25883786 [0,0,0,1,0,0|2,0,1]=4 985 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 Amb27883529 [0,0,0,1,0,0|2,0,1]=4 986 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 Amb19516178 [0,0,0,1,0,0|1,0,1]=3 987 B8R1.23 O=C1CC(C(=O)Cl)C1 Amb16230813 [0,0,0,1,0,0|2,0,0]=3 988 B8R1.23 O=C1CC(C(=O)O)C1 Amb33544325 [0,0,0,1,0,0|1,0,0]=2 989 B8R1.23 O=C1CC(C(=O)O)N1 Amb16232079 [0,0,0,1,0,0|1,0,0]=2 990 B8R1.23 O=C1CC(C(=O)O)O1 Amb26887454 [0,0,0,1,0,0|0,0,0]=1 991 B8R1.23 O=C1CC(C(Cl)Cl)O1 Amb27952844 [0,0,0,1,0,0|2,0,1]=4 992 B8R1.23 O=C1CC(S(=O)Cl)C1 Amb32720949 [0,0,0,1,0,0|3,0,0]=4 993 B8R1.23 O=C1CC(S(=O)O)N1 Amb27595618 [0,0,0,1,0,0|2,0,0]=3 994 B8R1.23 O=C1CN(C(=O)Cl)C1 Amb32864114 [0,0,0,1,0,0|3,0,0]=4 995 B8R1.23 O=C1C[C@@H](C(=O)O)N1 Amb22367070 [0,0,0,1,0,0|1,0,0]=2 996 B8R1.23 O=C1C[C@H](C(=O)O)N1 Amb26975061 [0,0,0,1,0,0|1,0,0]=2 997 B8R1.35 CC(=O)CCC1CO1 Amb28388031 [0,0,0,1,0,0|2,0,1]=4 998 B8R1.35 NC(=O)CCC1CO1 Amb28252693 [0,0,0,1,0,0|2,0,1]=4 999 B8R1.35 O=C(O)CCC1=CC1 Amb28364765 [0,0,0,1,0,0|2,0,0]=3 1000 B8R1.35 O=C(O)CCC1CC1 Amb2686667 [0,0,0,1,0,0|2,0,1]=4 1001 B8R1.35 O=C(O)CCC1CO1 Amb27667995 [0,0,0,1,0,0|1,0,1]=3 1002 B8R1.51 CC1(C)CCC(=O)O1 Amb8631207 [0,0,0,1,0,0|2,0,1]=4 1003 B8R1.51 CC1(F)CCC(=O)O1 Amb27597762 [0,0,0,1,0,0|2,0,1]=4 1004 B8R1.51 CS1(=O)=NC(=O)CC1 Amb33483218 [0,0,0,1,0,0|3,0,0]=4 1005 B8R1.51 O=C1CCS(=O)(=O)C1 Amb2373731 [0,0,0,1,0,0|2,0,1]=4 1006 B8R1.51 O=C1CCS(=O)(=O)N1 Amb25763419 [0,0,0,1,0,0|2,0,1]=4 1007 B8R1.51 O=C1CCS(=O)(=O)O1 Amb17399828 [0,0,0,1,0,0|1,0,1]=3 1008 B8R1.77 CC(=O)C1CC1(C)O Amb27963572 [0,0,0,1,0,0|2,0,1]=4 1009 B8R1.77 CC1(Br)CC1C(=O)O Amb26021075 [0,0,0,1,0,0|2,0,1]=4 1010 B8R1.77 CC1(C)CC1C(=O)O Amb8385610 [0,0,0,1,0,0|2,0,1]=4 1011 B8R1.77 CC1(C)C[C@@H]1C(=O)O Amb8629067 [0,0,0,1,0,0|2,0,1]=4 1012 B8R1.77 C[C@@]1(Br)C[C@@H]1C(=O)O Amb27477854 [0,0,0,1,0,0|2,0,1]=4 1013 B8R1.77 O=C(O)C1CC1(Cl)Cl Amb1106460 [0,0,0,1,0,0|2,0,1]=4 1014 B8R1.77 O=C(O)C1CC1(F)Br Amb25952257 [0,0,0,1,0,0|2,0,1]=4 1015 B8R1.77 O=C(O)C1CC1(F)Cl Amb10841879 [0,0,0,1,0,0|2,0,1]=4 1016 B8R1.77 O=C(O)C1CC1(F)F Amb2691845 [0,0,0,1,0,0|2,0,1]=4 1017 B8R1.77 O=C(O)[C@@H]1CC1(F)F Amb30869365 [0,0,0,1,0,0|2,0,1]=4 1018 B8R1.77 O=C(O)[C@@H]1C[C@@]1(F)Cl Amb28252683 [0,0,0,1,0,0|2,0,1]=4 1019 B8R1.77 O=C(O)[C@H]1CC1(Cl)Cl Amb27444143 [0,0,0,1,0,0|2,0,1]=4 1020 B8R1.77 O=C(O)[C@H]1CC1(F)F Amb33802940 [0,0,0,1,0,0|2,0,1]=4 1021 B6R0.2 C=C(C)CC(=O)O Amb6278832 [0,0,0,0,1,0|2,0,0]=3 1022 B6R0.2 C=C(C)CC(C)=O Amb17593075 [0,0,0,0,1,0|3,0,0]=4 1023 B6R0.2 C=C(Cl)CC(=O)O Amb28118668 [0,0,0,0,1,0|2,0,0]=3 1024 B6R0.2 C=C(I)CC(=O)O Amb27598435 [0,0,0,0,1,0|2,0,0]=3 1025 B6R0.2 CC(=O)CC(=O)F Amb28122452 [0,0,0,0,1,0|2,0,0]=3 1026 B6R0.2 CC(=O)CC(=O)O Amb377432 [0,0,0,0,1,0|1,0,0]=2 1027 B6R0.2 CC(=O)CC(=O)[O-] Amb31031013 [0,0,0,0,1,0|1,0,1]=3 1028 B6R0.2 CC(=O)CC(C)=O Amb2716228 [0,0,0,0,1,0|2,0,0]=3 1029 B6R0.2 CC(=O)CC(C)=S Amb28381251 [0,0,0,0,1,0|2,1,0]=4 1030 B6R0.2 CC(=O)CC(C)O Amb17593091 [0,0,0,0,1,0|2,0,1]=4 1031 B6R0.2 CC(=O)CC(N)=O Amb6608777 [0,0,0,0,1,0|2,0,0]=3 1032 B6R0.2 CC(=O)C[N+](=O)[O-] Amb18833135 [0,0,0,0,1,0|2,0,1]=4 1033 B6R0.2 CC(=O)C[PH](=O)O Amb27975190 [0,0,0,0,1,0|2,0,0]=3 1034 B6R0.2 CC(=O)NC(C)=O Amb4066511 [0,0,0,0,1,0|3,0,0]=4 1035 B6R0.2 CC(=O)NC(N)=O Amb6891959 [0,0,0,0,1,0|3,0,0]=4 1036 B6R0.2 CC(=O)OC(C)=O Amb2793035 [0,0,0,0,1,0|3,0,0]=4 1037 B6R0.2 CC(=O)OC(N)=O Amb28283882 [0,0,0,0,1,0|3,0,0]=4 1038 B6R0.2 CC(=O)SC(=O)Cl Amb32679653 [0,0,0,0,1,0|3,0,0]=4 1039 B6R0.2 CC(=O)SC(C)=O Amb4025813 [0,0,0,0,1,0|3,0,0]=4 1040 B6R0.2 CC(=O)[CH-]C(C)=O Amb34196937 [0,0,0,0,1,0|2,0,1]=4 1041 B6R0.2 CC(=O)[CH-]C(C)=O Amb9787378 [0,0,0,0,1,0|2,0,1]=4 1042 B6R0.2 CC(=O)\C=C(\C)O Amb34915197 [0,0,0,0,1,0|2,0,1]=4 1043 B6R0.2 CC(=S)CC(=O)O Amb28067768 [0,0,0,0,1,0|1,1,0]=3 1044 B6R0.2 CC(Br)CC(=O)O Amb8517108 [0,0,0,0,1,0|2,0,1]=4 1045 B6R0.2 CC(C)=CC(=O)O Amb1485519 [0,0,0,0,1,0|2,0,1]=4 1046 B6R0.2 CC(C)CC(=O)O Amb3939848 [0,0,0,0,1,0|2,0,1]=4 1047 B6R0.2 CC(Cl)CC(=O)O Amb3940607 [0,0,0,0,1,0|2,0,1]=4 1048 B6R0.2 CC(I)CC(=O)O Amb28398380 [0,0,0,0,1,0|2,0,1]=4 1049 B6R0.2 CC(N)CC(=O)O Amb8379759 [0,0,0,0,1,0|2,0,1]=4 1050 B6R0.2 CC(O)CC(=O)O Amb8513187 [0,0,0,0,1,0|1,0,1]=3 1051 B6R0.2 CC(O)CC(=O)[O-] Amb2725536 [0,0,0,0,1,0|1,0,2]=4 1052 B6R0.2 CC(O)CC(N)=O Amb26394320 [0,0,0,0,1,0|2,0,1]=4 1053 B6R0.2 CC(S)CC(=O)O Amb33538201 [0,0,0,0,1,0|1,1,1]=4 1054 B6R0.2 CN(C)CC(=O)O Amb3319051 [0,0,0,0,1,0|3,0,0]=4 1055 B6R0.2 CN(C)CC(=O)O Amb3940366 [0,0,0,0,1,0|3,0,0]=4 1056 B6R0.2 CN(N)CC(=O)O Amb23592296 [0,0,0,0,1,0|3,0,0]=4 1057 B6R0.2 CN(O)CC(=O)O Amb29838290 [0,0,0,0,1,0|2,0,0]=3 1058 B6R0.2 CS(=O)CC(N)=O Amb24394100 [0,0,0,0,1,0|3,0,0]=4 1059 B6R0.2 C[C@@H](Br)CC(=O)O Amb27637683 [0,0,0,0,1,0|2,0,1]=4 1060 B6R0.2 C[C@@H](Cl)CC(=O)O Amb27851223 [0,0,0,0,1,0|2,0,1]=4 1061 B6R0.2 C[C@@H](N)CC(=O)O Amb16184009 [0,0,0,0,1,0|2,0,1]=4 1062 B6R0.2 C[C@@H](N)CC(=O)O Amb8397201 [0,0,0,0,1,0|2,0,1]=4 1063 B6R0.2 C[C@@H](O)CC(=O)O Amb4166322 [0,0,0,0,1,0|1,0,1]=3 1064 B6R0.2 C[C@@H](O)CC(=O)[O-] Amb8470924 [0,0,0,0,1,0|1,0,2]=4 1065 B6R0.2 C[C@H](Br)CC(=O)O Amb24432019 [0,0,0,0,1,0|2,0,1]=4 1066 B6R0.2 C[C@H](N)CC(=O)O Amb16184012 [0,0,0,0,1,0|2,0,1]=4 1067 B6R0.2 C[C@H](N)CC(=O)O Amb8397200 [0,0,0,0,1,0|2,0,1]=4 1068 B6R0.2 C[C@H](O)CC(=O)O Amb22232025 [0,0,0,0,1,0|1,0,1]=3 1069 B6R0.2 C[NH+](C)CC(=O)O Amb24113881 [0,0,0,0,1,0|3,0,0]=4 1070 B6R0.2 C[NH+](C)CC(=O)O Amb4007789 [0,0,0,0,1,0|3,0,0]=4 1071 B6R0.2 C\C(Cl)=C/C(=O)O Amb18123483 [0,0,0,0,1,0|2,0,1]=4 1072 B6R0.2 C\C(Cl)=C\C(=O)O Amb28050474 [0,0,0,0,1,0|2,0,1]=4 1073 B6R0.2 C\C(F)=C/C(=O)O Amb27185433 [0,0,0,0,1,0|2,0,1]=4 1074 B6R0.2 C\C(I)=C/C(=O)O Amb33329900 [0,0,0,0,1,0|2,0,1]=4 1075 B6R0.2 C\C(I)=C\C(=O)O Amb24741877 [0,0,0,0,1,0|2,0,1]=4 1076 B6R0.2 C\C(N)=C/C(=O)O Amb27421114 [0,0,0,0,1,0|2,0,1]=4 1077 B6R0.2 N=C(N)CC(N)=O Amb1981332 [0,0,0,0,1,0|3,0,0]=4 1078 B6R0.2 N=C(N)CC(N)=O Amb5719691 [0,0,0,0,1,0|3,0,0]=4 1079 B6R0.2 N=C([NH3+])CC(N)=O Amb2439350 [0,0,0,0,1,0|3,0,0]=4 1080 B6R0.2 NC(=O)CC(=O)O Amb4034884 [0,0,0,0,1,0|1,0,0]=2 1081 B6R0.2 NC(=O)CC(=O)[O-] Amb22263088 [0,0,0,0,1,0|1,0,1]=3 1082 B6R0.2 NC(=O)CC(N)=O Amb1971463 [0,0,0,0,1,0|2,0,0]=3 1083 B6R0.2 NC(=O)CC(N)=S Amb1155422 [0,0,0,0,1,0|2,1,0]=4 1084 B6R0.2 NC(=O)C[N+](=O)[O-] Amb1101925 [0,0,0,0,1,0|2,0,1]=4 1085 B6R0.2 NC(=O)NC(N)=O Amb6346179 [0,0,0,0,1,0|3,0,0]=4 1086 B6R0.2 NC(=S)CC(=O)O Amb17465742 [0,0,0,0,1,0|1,1,0]=3 1087 B6R0.2 NC(N)=CC(=O)O Amb27618962 [0,0,0,0,1,0|2,0,1]=4 1088 B6R0.2 NC(S)CC(=O)O Amb27391244 [0,0,0,0,1,0|1,1,1]=4 1089 B6R0.2 O=C(Cl)CC(=O)Cl Amb3940237 [0,0,0,0,1,0|2,0,0]=3 1090 B6R0.2 O=C(O)C=C(Br)Br Amb24435008 [0,0,0,0,1,0|2,0,1]=4 1091 B6R0.2 O=C(O)C=C(Cl)Cl Amb33544334 [0,0,0,0,1,0|2,0,1]=4 1092 B6R0.2 O=C(O)C=C(F)F Amb24116995 [0,0,0,0,1,0|2,0,1]=4 1093 B6R0.2 O=C(O)CB(O)O Amb24053058 [0,0,0,0,1,0|1,0,1]=3 1094 B6R0.2 O=C(O)CC(=O)Cl Amb26946943 [0,0,0,0,1,0|1,0,0]=2 1095 B6R0.2 O=C(O)CC(=O)O Amb2689065 [0,0,0,0,1,0|0,0,0]=1 1096 B6R0.2 O=C(O)CC(Cl)Cl Amb27815068 [0,0,0,0,1,0|2,0,1]=4 1097 B6R0.2 O=C(O)CC(F)F Amb22001551 [0,0,0,0,1,0|2,0,1]=4 1098 B6R0.2 O=C(O)CS(=O)O Amb27788997 [0,0,0,0,1,0|1,0,0]=2 1099 B6R0.2 O=C(O)\C=C(\Cl)Br Amb27955839 [0,0,0,0,1,0|2,0,1]=4 1100 B6R0.2 O=C([O-])CC(=O)[O-] Amb8516686 [0,0,0,0,1,0|0,0,2]=3 1101 B6R0.2 O=C([O-])CC(=O)[O-] Amb8516816 [0,0,0,0,1,0|0,0,2]=3 1102 B6R0.2 O=C([O-])C[N+](=O)[O-] Amb28990930 [0,0,0,0,1,0|1,0,2]=4 1103 B8R0.28 C=C(C)CCCC(=O)O Amb2699907 [0,0,0,0,0,1|2,0,0]=3 1104 B8R0.28 C=C(C)CCCC(C)=O Amb17739959 [0,0,0,0,0,1|3,0,0]=4 1105 B8R0.28 C=C(C)CCCC(N)=O Amb27837767 [0,0,0,0,0,1|3,0,0]=4 1106 B8R0.28 C=C(C)CCNC(C)=O Amb27780923 [0,0,0,0,0,1|3,0,0]=4 1107 B8R0.28 C=C(C)CCOC(C)=O Amb4035107 [0,0,0,0,0,1|3,0,0]=4 1108 B8R0.28 C=C(C)CSCC(=O)O Amb6280447 [0,0,0,0,0,1|2,0,0]=3 1109 B8R0.28 C=C(C)CSCC(C)=O Amb27877304 [0,0,0,0,0,1|3,0,0]=4 1110 B8R0.28 C=C(C)C\C=C\C(=O)O Amb27602149 [0,0,0,0,0,1|2,0,1]=4 1111 B8R0.28 C=C(C)\C=C\CC(=O)O Amb18642409 [0,0,0,0,0,1|2,0,1]=4 1112 B8R0.28 C=C(Cl)CCCC(N)=O Amb27253854 [0,0,0,0,0,1|3,0,0]=4 1113 B8R0.28 C=C(Cl)CSCC(C)=O Amb28205790 [0,0,0,0,0,1|3,0,0]=4 1114 B8R0.28 C=C(F)CCCC(=O)O Amb22641515 [0,0,0,0,0,1|2,0,0]=3 1115 B8R0.28 CC(=N)NCCC(N)=O Amb28049611 [0,0,0,0,0,1|3,0,0]=4 1116 B8R0.28 CC(=O)CCC=C(C)C Amb533052 [0,0,0,0,0,1|3,0,0]=4 1117 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [0,0,0,0,0,1|1,0,0]=2 1118 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [0,0,0,0,0,1|2,0,0]=3 1119 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [0,0,0,0,0,1|2,0,0]=3 1120 B8R0.28 CC(=O)CCC[N+](=O)[O-] Amb18203187 [0,0,0,0,0,1|2,0,1]=4 1121 B8R0.28 CC(=O)CCNC(C)=O Amb17102868 [0,0,0,0,0,1|2,0,0]=3 1122 B8R0.28 CC(=O)CCOC(C)=O Amb4605918 [0,0,0,0,0,1|2,0,0]=3 1123 B8R0.28 CC(=O)CC\C=C(\C)Cl Amb17593664 [0,0,0,0,0,1|3,0,0]=4 1124 B8R0.28 CC(=O)CNCC(C)O Amb24589662 [0,0,0,0,0,1|2,0,1]=4 1125 B8R0.28 CC(=O)CSCC(=O)O Amb26415891 [0,0,0,0,0,1|1,0,0]=2 1126 B8R0.28 CC(=O)CSCC(=O)[O-] Amb20622616 [0,0,0,0,0,1|1,0,1]=3 1127 B8R0.28 CC(=O)CSCC(C)O Amb27215204 [0,0,0,0,0,1|2,0,1]=4 1128 B8R0.28 CC(=O)CSCC(N)=O Amb27411260 [0,0,0,0,0,1|2,0,0]=3 1129 B8R0.28 CC(=O)NCCC(=O)O Amb1104704 [0,0,0,0,0,1|1,0,0]=2 1130 B8R0.28 CC(=O)NCCC(N)=O Amb8997734 [0,0,0,0,0,1|2,0,0]=3 1131 B8R0.28 CC(=O)NCCC(N)=S Amb17232012 [0,0,0,0,0,1|2,1,0]=4 1132 B8R0.28 CC(=O)NCCS(=O)O Amb27638053 [0,0,0,0,0,1|2,0,0]=3 1133 B8R0.28 CC(=O)NCNC(C)=O Amb8485453 [0,0,0,0,0,1|3,0,0]=4 1134 B8R0.28 CC(=O)NCOC(C)=O Amb27810126 [0,0,0,0,0,1|3,0,0]=4 1135 B8R0.28 CC(=O)NOCC(=O)O Amb25921073 [0,0,0,0,0,1|2,0,0]=3 1136 B8R0.28 CC(=O)OCCC(=O)O Amb18642866 [0,0,0,0,0,1|1,0,0]=2 1137 B8R0.28 CC(=O)OCCC(C)O Amb26357497 [0,0,0,0,0,1|2,0,1]=4 1138 B8R0.28 CC(=O)OCCC(N)=O Amb25921090 [0,0,0,0,0,1|2,0,0]=3 1139 B8R0.28 CC(=O)OCCS(=O)Cl Amb32720402 [0,0,0,0,0,1|3,0,0]=4 1140 B8R0.28 CC(=O)OCCS(=O)[O-] Amb32754519 [0,0,0,0,0,1|2,0,1]=4 1141 B8R0.28 CC(=O)OCCS(N)=O Amb32720403 [0,0,0,0,0,1|3,0,0]=4 1142 B8R0.28 CC(=O)OCC[C@H](C)O Amb28192682 [0,0,0,0,0,1|2,0,1]=4 1143 B8R0.28 CC(=O)OCOC(=O)Cl Amb26908239 [0,0,0,0,0,1|3,0,0]=4 1144 B8R0.28 CC(=O)OCOC(C)=O Amb9787622 [0,0,0,0,0,1|3,0,0]=4 1145 B8R0.28 CC(=O)O\N=C/C(=O)O Amb27593741 [0,0,0,0,0,1|2,0,1]=4 1146 B8R0.28 CC(=O)SCCC(=O)Cl Amb26637117 [0,0,0,0,0,1|2,0,0]=3 1147 B8R0.28 CC(=O)SCCC(=O)O Amb17607685 [0,0,0,0,0,1|1,0,0]=2 1148 B8R0.28 CC(=O)S\C=C\C(=O)O Amb26969288 [0,0,0,0,0,1|1,0,2]=4 1149 B8R0.28 CC(=O)\C=C\CC(=O)O Amb26900226 [0,0,0,0,0,1|1,0,1]=3 1150 B8R0.28 CC(C)=CCCC(=O)O Amb10601609 [0,0,0,0,0,1|2,0,0]=3 1151 B8R0.28 CC(C)=NNCC(=O)O Amb27958222 [0,0,0,0,0,1|3,0,0]=4 1152 B8R0.28 CC(C)CCCC(=O)O Amb3941255 [0,0,0,0,0,1|2,0,1]=4 1153 B8R0.28 CC(C)CNCC(=O)O Amb19373106 [0,0,0,0,0,1|2,0,1]=4 1154 B8R0.28 CC(C)CNCC(=O)O Amb7766417 [0,0,0,0,0,1|2,0,1]=4 1155 B8R0.28 CC(C)COCC(=O)O Amb2608476 [0,0,0,0,0,1|2,0,1]=4 1156 B8R0.28 CC(C)CSCC(=O)O Amb1134811 [0,0,0,0,0,1|2,0,1]=4 1157 B8R0.28 CC(C)NCCC(=O)O Amb1106349 [0,0,0,0,0,1|2,0,1]=4 1158 B8R0.28 CC(C)NCCC(=O)O Amb528114 [0,0,0,0,0,1|2,0,1]=4 1159 B8R0.28 CC(C)OCCC(=O)O Amb6260272 [0,0,0,0,0,1|2,0,1]=4 1160 B8R0.28 CC(C)SCCC(=O)O Amb6267279 [0,0,0,0,0,1|2,0,1]=4 1161 B8R0.28 CC(F)CCCC(=O)O Amb28144031 [0,0,0,0,0,1|2,0,1]=4 1162 B8R0.28 CC(N)CCCC(=O)O Amb22059416 [0,0,0,0,0,1|2,0,1]=4 1163 B8R0.28 CC(N)CCCC(=O)O Amb28934990 [0,0,0,0,0,1|2,0,1]=4 1164 B8R0.28 CC(N)CSCC(=O)O Amb27221487 [0,0,0,0,0,1|2,0,1]=4 1165 B8R0.28 CC(O)CCCC(=O)O Amb2371277 [0,0,0,0,0,1|1,0,1]=3 1166 B8R0.28 CC(O)CCCC(=O)[O-] Amb17615415 [0,0,0,0,0,1|1,0,2]=4 1167 B8R0.28 CC(O)CNCC(=O)O Amb9359979 [0,0,0,0,0,1|1,0,1]=3 1168 B8R0.28 CC(O)CNCC(=O)[O-] Amb35789181 [0,0,0,0,0,1|1,0,2]=4 1169 B8R0.28 CC(O)COCC(=O)O Amb27968624 [0,0,0,0,0,1|1,0,1]=3 1170 B8R0.28 CC(O)COCC(N)=O Amb27216633 [0,0,0,0,0,1|2,0,1]=4 1171 B8R0.28 CC(O)CSCC(=O)O Amb19005278 [0,0,0,0,0,1|1,0,1]=3 1172 B8R0.28 CN(C)CCCC(=O)O Amb2716225 [0,0,0,0,0,1|3,0,0]=4 1173 B8R0.28 CN(C)CCCC(=O)O Amb9176338 [0,0,0,0,0,1|3,0,0]=4 1174 B8R0.28 CS(=O)CCNC(=O)Cl Amb35633190 [0,0,0,0,0,1|3,0,0]=4 1175 B8R0.28 C[C@H](O)CNCC(N)=O Amb27879357 [0,0,0,0,0,1|2,0,1]=4 1176 B8R0.28 C[C@H](O)C\C=C\C(=O)O Amb27812394 [0,0,0,0,0,1|1,0,2]=4 1177 B8R0.28 C[NH+](C)CCCC(=O)O Amb9786711 [0,0,0,0,0,1|3,0,0]=4 1178 B8R0.28 N=C(N)CSCC(=O)O Amb28040821 [0,0,0,0,0,1|2,0,0]=3 1179 B8R0.28 N=C(N)CSCC(N)=O Amb23313355 [0,0,0,0,0,1|3,0,0]=4 1180 B8R0.28 N=C(N)NCCC(=O)O Amb3940732 [0,0,0,0,0,1|2,0,0]=3 1181 B8R0.28 N=C(N)NCCC(N)=O Amb27215299 [0,0,0,0,0,1|3,0,0]=4 1182 B8R0.28 N=C(N)NCCS(=O)O Amb25103204 [0,0,0,0,0,1|3,0,0]=4 1183 B8R0.28 N=C(N)NNCC(=O)O Amb27394477 [0,0,0,0,0,1|3,0,0]=4 1184 B8R0.28 N=C(N)NOCC(=O)O Amb27165927 [0,0,0,0,0,1|3,0,0]=4 1185 B8R0.28 N=C(N)SCCC(=O)O Amb1043190 [0,0,0,0,0,1|2,0,0]=3 1186 B8R0.28 NC(=O)CCCC(=O)O Amb5718388 [0,0,0,0,0,1|1,0,0]=2 1187 B8R0.28 NC(=O)CCC[N+](=O)[O-] Amb22432425 [0,0,0,0,0,1|2,0,1]=4 1188 B8R0.28 NC(=O)CCSC(N)=O Amb28045967 [0,0,0,0,0,1|2,0,0]=3 1189 B8R0.28 NC(=O)CNCC(N)=O Amb6714597 [0,0,0,0,0,1|2,0,0]=3 1190 B8R0.28 NC(=O)COCC(=O)O Amb3429648 [0,0,0,0,0,1|1,0,0]=2 1191 B8R0.28 NC(=O)COCC(N)=O Amb4442013 [0,0,0,0,0,1|2,0,0]=3 1192 B8R0.28 NC(=O)CONC(N)=O Amb27172154 [0,0,0,0,0,1|3,0,0]=4 1193 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [0,0,0,0,0,1|1,0,0]=2 1194 B8R0.28 NC(=O)CSCC(N)=O Amb6374270 [0,0,0,0,0,1|2,0,0]=3 1195 B8R0.28 NC(=O)NCCC(=O)O Amb6567400 [0,0,0,0,0,1|1,0,0]=2 1196 B8R0.28 NC(=O)NOCC(=O)O Amb28285979 [0,0,0,0,0,1|2,0,0]=3 1197 B8R0.28 NC(=O)N\C=C/C(=O)O Amb28437236 [0,0,0,0,0,1|1,0,2]=4 1198 B8R0.28 NC(=O)N\C=C\C(=O)O Amb541061 [0,0,0,0,0,1|1,0,2]=4 1199 B8R0.28 NC(=O)N\N=C\C(=O)O Amb10552378 [0,0,0,0,0,1|2,0,1]=4 1200 B8R0.28 NC(=O)SCCC(=O)O Amb28340935 [0,0,0,0,0,1|1,0,0]=2 1201 B8R0.28 NC(=S)CCCC(=O)O Amb27956588 [0,0,0,0,0,1|1,1,0]=3 1202 B8R0.28 NC(=S)NCCC(=O)O Amb27815302 [0,0,0,0,0,1|1,1,0]=3 1203 B8R0.28 NC(=S)SCCC(=O)O Amb4007391 [0,0,0,0,0,1|1,1,0]=3 1204 B8R0.28 O=C(Cl)CCCC(=O)Cl Amb3940242 [0,0,0,0,0,1|2,0,0]=3 1205 B8R0.28 O=C(Cl)COCC(=O)Cl Amb22228240 [0,0,0,0,0,1|2,0,0]=3 1206 B8R0.28 O=C(O)C=C=CC(=O)O Amb17593335 [0,0,0,0,0,1|0,0,2]=3 1207 B8R0.28 O=C(O)CCCC(=O)O Amb4037276 [0,0,0,0,0,1|0,0,0]=1 1208 B8R0.28 O=C(O)CCCC(F)F Amb24117996 [0,0,0,0,0,1|2,0,1]=4 1209 B8R0.28 O=C(O)CCCN(Cl)Cl Amb28313437 [0,0,0,0,0,1|3,0,0]=4 1210 B8R0.28 O=C(O)CCC[N+](=O)[O-] Amb24711043 [0,0,0,0,0,1|1,0,1]=3 1211 B8R0.28 O=C(O)CCO[N+](=O)[O-] Amb21953424 [0,0,0,0,0,1|1,0,1]=3 1212 B8R0.28 O=C(O)CCSC(F)F Amb8840854 [0,0,0,0,0,1|2,0,1]=4 1213 B8R0.28 O=C(O)CNCC(=O)O Amb3940364 [0,0,0,0,0,1|0,0,0]=1 1214 B8R0.28 O=C(O)COCC(=O)O Amb4433967 [0,0,0,0,0,1|0,0,0]=1 1215 B8R0.28 O=C(O)COCC(F)F Amb27218102 [0,0,0,0,0,1|2,0,1]=4 1216 B8R0.28 O=C(O)CSCC(=O)O Amb6608738 [0,0,0,0,0,1|0,0,0]=1 1217 B8R0.28 O=C(O)CSCC(F)F Amb18791606 [0,0,0,0,0,1|2,0,1]=4 1218 B8R0.28 O=C(O)\C=C/CC(=O)O Amb27882014 [0,0,0,0,0,1|0,0,1]=2 1219 B8R0.28 O=C(O)\C=C\CC(=O)O Amb1154189 [0,0,0,0,0,1|0,0,1]=2 1220 B8R0.28 O=C([O-])COCC(=O)O Amb9787328 [0,0,0,0,0,1|0,0,1]=2 1221 B5R0.1 C#CCC(=O)O Amb33532662 [2,0,0,0,0,0|0,0,2]=4 1222 B5R0.1 C=C(Br)CCO Amb4014497 [2,0,0,0,0,0|2,0,0]=4 1223 B5R0.1 C=C(C)CC=O Amb28202583 [2,0,0,0,0,0|2,0,0]=4 1224 B5R0.1 C=C(C)CCO Amb34916534 [2,0,0,0,0,0|2,0,0]=4 1225 B5R0.1 C=C(C)CCO Amb8513522 [2,0,0,0,0,0|2,0,0]=4 1226 B5R0.1 C=CCC(=O)Cl Amb33543701 [2,0,0,0,0,0|1,0,1]=4 1227 B5R0.1 C=CCC(=O)O Amb3940098 [2,0,0,0,0,0|0,0,1]=3 1228 B5R0.1 C=CCC(C)=O Amb8396482 [2,0,0,0,0,0|1,0,1]=4 1229 B5R0.1 C=CCC(N)=O Amb17610156 [2,0,0,0,0,0|1,0,1]=4 1230 B5R0.1 C=CCS(=O)O Amb33534190 [2,0,0,0,0,0|1,0,1]=4 1231 B5R0.1 C=CC[PH](=O)O Amb8391287 [2,0,0,0,0,0|1,0,1]=4 1232 B5R0.1 C=NCC(N)=O Amb26548445 [2,0,0,0,0,0|2,0,0]=4 1233 B5R0.1 CC(=O)CC=N Amb28285098 [2,0,0,0,0,0|2,0,0]=4 1234 B5R0.1 CC(=O)CCBr Amb24078246 [2,0,0,0,0,0|2,0,0]=4 1235 B5R0.1 CC(=O)CCCl Amb2720823 [2,0,0,0,0,0|2,0,0]=4 1236 B5R0.1 CC(=O)CCF Amb26427773 [2,0,0,0,0,0|2,0,0]=4 1237 B5R0.1 CC(=O)CCN Amb18632933 [2,0,0,0,0,0|2,0,0]=4 1238 B5R0.1 CC(=O)CCN Amb33544540 [2,0,0,0,0,0|2,0,0]=4 1239 B5R0.1 CC(=O)CCO Amb836357 [2,0,0,0,0,0|1,0,0]=3 1240 B5R0.1 CC(=O)CC[NH3+] Amb17205167 [2,0,0,0,0,0|2,0,0]=4 1241 B5R0.1 CC(=O)CNO Amb28049954 [2,0,0,0,0,0|2,0,0]=4 1242 B5R0.1 CC(=O)NC=O Amb27850191 [2,0,0,0,0,0|2,0,0]=4 1243 B5R0.1 CC(=O)NCO Amb8516057 [2,0,0,0,0,0|2,0,0]=4 1244 B5R0.1 CC(=O)OC=O Amb25283525 [2,0,0,0,0,0|2,0,0]=4 1245 B5R0.1 CC(=O)SCO Amb27255261 [2,0,0,0,0,0|2,0,0]=4 1246 B5R0.1 CC(O)CC=O Amb4036424 [2,0,0,0,0,0|1,0,1]=4 1247 B5R0.1 CC(O)CCO Amb6608662 [2,0,0,0,0,0|1,0,1]=4 1248 B5R0.1 CCCC(=O)Br Amb22734023 [2,0,0,0,0,0|1,0,1]=4 1249 B5R0.1 CCCC(=O)Cl Amb2792903 [2,0,0,0,0,0|1,0,1]=4 1250 B5R0.1 CCCC(=O)O Amb3939012 [2,0,0,0,0,0|0,0,1]=3 1251 B5R0.1 CCCC(=O)[O-] Amb8514901 [2,0,0,0,0,0|0,0,2]=4 1252 B5R0.1 CCCC(C)=O Amb6608910 [2,0,0,0,0,0|1,0,1]=4 1253 B5R0.1 CCCC(N)=O Amb3886524 [2,0,0,0,0,0|1,0,1]=4 1254 B5R0.1 CCCC(O)=S Amb22229383 [2,0,0,0,0,0|0,1,1]=4 1255 B5R0.1 CCOC(=O)O Amb8393208 [2,0,0,0,0,0|1,0,1]=4 1256 B5R0.1 CNCC(=O)O Amb6298808 [2,0,0,0,0,0|1,0,1]=4 1257 B5R0.1 CNCC(=O)O Amb6599996 [2,0,0,0,0,0|1,0,1]=4 1258 B5R0.1 COCC(=O)O Amb3939876 [2,0,0,0,0,0|1,0,1]=4 1259 B5R0.1 CS(=O)CCO Amb28075364 [2,0,0,0,0,0|2,0,0]=4 1260 B5R0.1 CSCC(=O)O Amb1152425 [2,0,0,0,0,0|1,0,1]=4 1261 B5R0.1 C[C@@H](O)CCO Amb4166294 [2,0,0,0,0,0|1,0,1]=4 1262 B5R0.1 C[C@H](O)CC=O Amb27595676 [2,0,0,0,0,0|1,0,1]=4 1263 B5R0.1 C[C@H](O)CCO Amb4166300 [2,0,0,0,0,0|1,0,1]=4 1264 B5R0.1 C\C=C/C(=O)O Amb27779315 [2,0,0,0,0,0|1,0,1]=4 1265 B5R0.1 C\C=C\C(=O)O Amb8385856 [2,0,0,0,0,0|1,0,1]=4 1266 B5R0.1 N#CCC(=O)O Amb2609022 [2,0,0,0,0,0|1,0,1]=4 1267 B5R0.1 N=C(N)CCO Amb2696134 [2,0,0,0,0,0|2,0,0]=4 1268 B5R0.1 N=C(N)CCO Amb8630168 [2,0,0,0,0,0|2,0,0]=4 1269 B5R0.1 NC(=O)CC=O Amb25777522 [2,0,0,0,0,0|1,0,0]=3 1270 B5R0.1 NC(=O)CCBr Amb21618712 [2,0,0,0,0,0|2,0,0]=4 1271 B5R0.1 NC(=O)CCCl Amb1127569 [2,0,0,0,0,0|2,0,0]=4 1272 B5R0.1 NC(=O)CCF Amb28289353 [2,0,0,0,0,0|2,0,0]=4 1273 B5R0.1 NC(=O)CCI Amb27966778 [2,0,0,0,0,0|2,0,0]=4 1274 B5R0.1 NC(=O)CCO Amb9421407 [2,0,0,0,0,0|1,0,0]=3 1275 B5R0.1 NC(=O)CCS Amb27154802 [2,0,0,0,0,0|1,1,0]=4 1276 B5R0.1 NC(=O)NC=O Amb8514974 [2,0,0,0,0,0|2,0,0]=4 1277 B5R0.1 NC(=O)NCO Amb17674341 [2,0,0,0,0,0|2,0,0]=4 1278 B5R0.1 NC(=S)CCO Amb8855295 [2,0,0,0,0,0|1,1,0]=4 1279 B5R0.1 NC(O)CCO Amb28252327 [2,0,0,0,0,0|1,0,1]=4 1280 B5R0.1 NCCC(=O)Cl Amb24117140 [2,0,0,0,0,0|2,0,0]=4 1281 B5R0.1 NCCC(=O)O Amb1935127 [2,0,0,0,0,0|1,0,0]=3 1282 B5R0.1 NCCC(=O)[O-] Amb28991330 [2,0,0,0,0,0|1,0,1]=4 1283 B5R0.1 NCCC(N)=O Amb1137251 [2,0,0,0,0,0|2,0,0]=4 1284 B5R0.1 NCCC(N)=O Amb9147573 [2,0,0,0,0,0|2,0,0]=4 1285 B5R0.1 NCCS(=O)O Amb6600043 [2,0,0,0,0,0|2,0,0]=4 1286 B5R0.1 NCC[PH](=O)O Amb22168066 [2,0,0,0,0,0|2,0,0]=4 1287 B5R0.1 NCC[PH](=O)O Amb35788864 [2,0,0,0,0,0|2,0,0]=4 1288 B5R0.1 NNCC(=O)O Amb32751165 [2,0,0,0,0,0|2,0,0]=4 1289 B5R0.1 NNCC(=O)O Amb6740299 [2,0,0,0,0,0|2,0,0]=4 1290 B5R0.1 NOCC(=O)O Amb1154237 [2,0,0,0,0,0|2,0,0]=4 1291 B5R0.1 NOCC(=O)O Amb4324355 [2,0,0,0,0,0|2,0,0]=4 1292 B5R0.1 NOCC(=O)O Amb8513076 [2,0,0,0,0,0|2,0,0]=4 1293 B5R0.1 NS(=O)CCO Amb32720357 [2,0,0,0,0,0|2,0,0]=4 1294 B5R0.1 N\C=C\C(=O)O Amb27217920 [2,0,0,0,0,0|1,0,1]=4 1295 B5R0.1 O=C(Br)CCBr Amb24624022 [2,0,0,0,0,0|2,0,0]=4 1296 B5R0.1 O=C(Cl)CCBr Amb3941484 [2,0,0,0,0,0|2,0,0]=4 1297 B5R0.1 O=C(Cl)CCCl Amb3939313 [2,0,0,0,0,0|2,0,0]=4 1298 B5R0.1 O=C(Cl)CCF Amb27148631 [2,0,0,0,0,0|2,0,0]=4 1299 B5R0.1 O=C(Cl)CCI Amb28454579 [2,0,0,0,0,0|2,0,0]=4 1300 B5R0.1 O=C(Cl)CCO Amb27270014 [2,0,0,0,0,0|1,0,0]=3 1301 B5R0.1 O=C(F)CCCl Amb27257545 [2,0,0,0,0,0|2,0,0]=4 1302 B5R0.1 O=C(O)CCBr Amb2685479 [2,0,0,0,0,0|1,0,0]=3 1303 B5R0.1 O=C(O)CCCl Amb5395408 [2,0,0,0,0,0|1,0,0]=3 1304 B5R0.1 O=C(O)CCF Amb10603694 [2,0,0,0,0,0|1,0,0]=3 1305 B5R0.1 O=C(O)CCI Amb2688882 [2,0,0,0,0,0|1,0,0]=3 1306 B5R0.1 O=C(O)CCO Amb2688785 [2,0,0,0,0,0|0,0,0]=2 1307 B5R0.1 O=C(O)CCS Amb6608916 [2,0,0,0,0,0|0,1,0]=3 1308 B5R0.1 O=C(O)CNO Amb24120360 [2,0,0,0,0,0|1,0,0]=3 1309 B5R0.1 O=C(O)\C=C/Br Amb18644453 [2,0,0,0,0,0|1,0,1]=4 1310 B5R0.1 O=C(O)\C=C/Cl Amb8513768 [2,0,0,0,0,0|1,0,1]=4 1311 B5R0.1 O=C(O)\C=C/I Amb28315824 [2,0,0,0,0,0|1,0,1]=4 1312 B5R0.1 O=C(O)\C=C\Br Amb27423608 [2,0,0,0,0,0|1,0,1]=4 1313 B5R0.1 O=C(O)\C=C\Cl Amb33986098 [2,0,0,0,0,0|1,0,1]=4 1314 B5R0.1 O=C(O)\C=C\I Amb30584673 [2,0,0,0,0,0|1,0,1]=4 1315 B5R0.1 O=C(O)\C=C\O Amb26055842 [2,0,0,0,0,0|0,0,1]=3 1316 B5R0.1 O=C(O)\C=C\S Amb28401590 [2,0,0,0,0,0|0,1,1]=4 1317 B5R0.1 O=C(O)\C=N\O Amb20671938 [2,0,0,0,0,0|1,0,1]=4 1318 B5R0.1 O=C(S)CCCl Amb27461454 [2,0,0,0,0,0|1,1,0]=4 1319 B5R0.1 O=C([O-])CCO Amb22055495 [2,0,0,0,0,0|0,0,1]=3 1320 B5R0.1 O=CCB(O)O Amb27449470 [2,0,0,0,0,0|1,0,1]=4 1321 B5R0.1 O=CCC(=O)O Amb22169407 [2,0,0,0,0,0|0,0,0]=2 1322 B5R0.1 O=CCC(=O)[Na] Amb27949540 [2,0,0,0,0,0|1,0,0]=3 1323 B5R0.1 O=CC[N+](=O)[O-] Amb28049659 [2,0,0,0,0,0|1,0,1]=4 1324 B5R0.1 O=S(Cl)CCO Amb32720404 [2,0,0,0,0,0|2,0,0]=4 1325 B5R0.1 O=S(O)CCO Amb25937057 [2,0,0,0,0,0|1,0,0]=3 1326 B5R0.1 O=S([O-])CCO Amb32754124 [2,0,0,0,0,0|1,0,1]=4 1327 B5R0.1 O=[N+]([O-])CCO Amb3940447 [2,0,0,0,0,0|1,0,1]=4 1328 B5R0.1 OCCC(O)Cl Amb26052481 [2,0,0,0,0,0|1,0,1]=4 1329 B5R0.2 C#CCCC=O Amb28049678 [2,0,0,0,0,0|1,0,1]=4 1330 B5R0.2 C=CCCC=C Amb8513514 [2,0,0,0,0,0|2,0,0]=4 1331 B5R0.2 C=CCCC=O Amb4358616 [2,0,0,0,0,0|1,0,0]=3 1332 B5R0.2 C=CCCCO Amb8513439 [2,0,0,0,0,0|1,0,1]=4 1333 B5R0.2 C=CCNC=O Amb2781857 [2,0,0,0,0,0|2,0,0]=4 1334 B5R0.2 CCCCC=O Amb3939655 [2,0,0,0,0,0|1,0,1]=4 1335 B5R0.2 COCCC=O Amb10602324 [2,0,0,0,0,0|2,0,0]=4 1336 B5R0.2 CSCCC=O Amb3939952 [2,0,0,0,0,0|2,0,0]=4 1337 B5R0.2 C\C=C\CC=O Amb26655030 [2,0,0,0,0,0|1,0,1]=4 1338 B5R0.2 N#CCCC=O Amb3941009 [2,0,0,0,0,0|1,0,1]=4 1339 B5R0.2 NCCCC=O Amb26851044 [2,0,0,0,0,0|1,0,1]=4 1340 B5R0.2 O=CCCC=O Amb8395090 [2,0,0,0,0,0|0,0,0]=2 1341 B5R0.2 O=CCCCBr Amb18644189 [2,0,0,0,0,0|1,0,1]=4 1342 B5R0.2 O=CCCCCl Amb8395190 [2,0,0,0,0,0|1,0,1]=4 1343 B5R0.2 O=CCCCF Amb24056028 [2,0,0,0,0,0|1,0,1]=4 1344 B5R0.2 O=CCCCI Amb27249641 [2,0,0,0,0,0|1,0,1]=4 1345 B5R0.2 O=CCCCO Amb24589235 [2,0,0,0,0,0|0,0,1]=3 1346 B5R0.2 O=CCCSS Amb22524519 [2,0,0,0,0,0|1,1,0]=4 1347 B5R0.2 O=CCNC=O Amb26370295 [2,0,0,0,0,0|1,0,0]=3 1348 B5R0.2 O=CC\C=C\Cl Amb24571938 [2,0,0,0,0,0|1,0,1]=4 1349 B5R0.2 O=CNNC=O Amb6298322 [2,0,0,0,0,0|2,0,0]=4 1350 B5R0.2 O=COCCO Amb26625741 [2,0,0,0,0,0|1,0,1]=4 1351 B5R0.2 O=C\C=C/C=O Amb28146767 [2,0,0,0,0,0|0,0,2]=4 1352 B5R0.2 O=C\C=C\C=O Amb17593019 [2,0,0,0,0,0|0,0,2]=4 1353 B5R0.2 OCCCCO Amb2793029 [2,0,0,0,0,0|0,0,2]=4 1354 B7R0.2 C#CC(C)CC(=O)O Amb27246384 [1,1,0,0,0,0|1,0,1]=4 1355 B7R0.2 C#C[C@H](O)CC(=O)O Amb28285208 [1,1,0,0,0,0|1,0,1]=4 1356 B7R0.2 C=C(Br)C[C@@H](C)C=O Amb28381143 [1,1,0,0,0,0|2,0,0]=4 1357 B7R0.2 C=C(C)CC(C)C=O Amb18641711 [1,1,0,0,0,0|2,0,0]=4 1358 B7R0.2 C=CC(C)CC(=O)O Amb18641774 [1,1,0,0,0,0|1,0,0]=3 1359 B7R0.2 C=CC(C)CC(C)=O Amb27759897 [1,1,0,0,0,0|2,0,0]=4 1360 B7R0.2 C=CC(C)CC(N)=O Amb27168118 [1,1,0,0,0,0|2,0,0]=4 1361 B7R0.2 C=CC(N)CC(=O)O Amb22641963 [1,1,0,0,0,0|1,0,0]=3 1362 B7R0.2 C=CC(N)CC(=O)O Amb31307621 [1,1,0,0,0,0|1,0,0]=3 1363 B7R0.2 C=CC(O)CC(=O)O Amb18641866 [1,1,0,0,0,0|1,0,0]=3 1364 B7R0.2 C=C[C@@H](C)CC(=O)O Amb27868377 [1,1,0,0,0,0|1,0,0]=3 1365 B7R0.2 C=C[C@@H](N)CC(=O)O Amb28315938 [1,1,0,0,0,0|1,0,0]=3 1366 B7R0.2 C=C[C@H](C)CC(=O)O Amb25791667 [1,1,0,0,0,0|1,0,0]=3 1367 B7R0.2 CC(=O)CC(N)CO Amb27240210 [1,1,0,0,0,0|1,0,1]=4 1368 B7R0.2 CC(=O)C[C@@H](C)C=O Amb27470883 [1,1,0,0,0,0|1,0,0]=3 1369 B7R0.2 CC(=O)C[C@H](C)C=O Amb24379584 [1,1,0,0,0,0|1,0,0]=3 1370 B7R0.2 CC(=O)C[C@H](O)CO Amb28316148 [1,1,0,0,0,0|1,0,1]=4 1371 B7R0.2 CC(=O)N[C@H](C)C=O Amb27838347 [1,1,0,0,0,0|2,0,0]=4 1372 B7R0.2 CC(=O)OC(C)C=O Amb18641863 [1,1,0,0,0,0|2,0,0]=4 1373 B7R0.2 CC(=O)O[C@H](C)C=O Amb28422009 [1,1,0,0,0,0|2,0,0]=4 1374 B7R0.2 CC(C#N)CC(=O)O Amb17334057 [1,1,0,0,0,0|1,0,1]=4 1375 B7R0.2 CC(CC(=O)O)NN Amb28346224 [1,1,0,0,0,0|2,0,0]=4 1376 B7R0.2 CC(CC(=O)O)NN Amb33141007 [1,1,0,0,0,0|2,0,0]=4 1377 B7R0.2 CC(CF)CC(=O)O Amb25990964 [1,1,0,0,0,0|1,0,1]=4 1378 B7R0.2 CC(CN)CC(=O)O Amb18124263 [1,1,0,0,0,0|1,0,1]=4 1379 B7R0.2 CC(CN)CC(=O)O Amb20669501 [1,1,0,0,0,0|1,0,1]=4 1380 B7R0.2 CC(CN)CC(=O)O Amb32752805 [1,1,0,0,0,0|1,0,1]=4 1381 B7R0.2 CC(CO)CC(=O)O Amb18198168 [1,1,0,0,0,0|0,0,1]=3 1382 B7R0.2 CC(CO)CC(=O)[O-] Amb33329956 [1,1,0,0,0,0|0,0,2]=4 1383 B7R0.2 CCC(C)CC(=O)O Amb2689581 [1,1,0,0,0,0|1,0,1]=4 1384 B7R0.2 CCC(N)CC(=O)O Amb1993862 [1,1,0,0,0,0|1,0,1]=4 1385 B7R0.2 CCC(N)CC(=O)O Amb8631361 [1,1,0,0,0,0|1,0,1]=4 1386 B7R0.2 CCC(O)CC(=O)O Amb10844270 [1,1,0,0,0,0|1,0,1]=4 1387 B7R0.2 CC[C@@H](C)CC(=O)O Amb2696314 [1,1,0,0,0,0|1,0,1]=4 1388 B7R0.2 CC[C@@H](N)CC(=O)O Amb22225305 [1,1,0,0,0,0|1,0,1]=4 1389 B7R0.2 CC[C@@H](N)CC(=O)O Amb8397198 [1,1,0,0,0,0|1,0,1]=4 1390 B7R0.2 CC[C@@H](O)CC(=O)O Amb27601320 [1,1,0,0,0,0|1,0,1]=4 1391 B7R0.2 CC[C@H](C)CC(=O)O Amb2696313 [1,1,0,0,0,0|1,0,1]=4 1392 B7R0.2 CC[C@H](N)CC(=O)O Amb22226650 [1,1,0,0,0,0|1,0,1]=4 1393 B7R0.2 CC[C@H](N)CC(=O)O Amb8397197 [1,1,0,0,0,0|1,0,1]=4 1394 B7R0.2 CC[C@H](O)CC(=O)O Amb33189078 [1,1,0,0,0,0|1,0,1]=4 1395 B7R0.2 CN(C=O)CC(N)=O Amb27471534 [1,1,0,0,0,0|2,0,0]=4 1396 B7R0.2 CN(CC(=O)O)N=O Amb17618622 [1,1,0,0,0,0|2,0,0]=4 1397 B7R0.2 CN(CO)CC(=O)O Amb27663224 [1,1,0,0,0,0|1,0,1]=4 1398 B7R0.2 CNC(C)CC(=O)O Amb21959674 [1,1,0,0,0,0|2,0,0]=4 1399 B7R0.2 CNC(C)CC(=O)O Amb9398363 [1,1,0,0,0,0|2,0,0]=4 1400 B7R0.2 CN[C@H](C)CC(=O)O Amb25339129 [1,1,0,0,0,0|2,0,0]=4 1401 B7R0.2 COC(C)CC(=O)O Amb4001695 [1,1,0,0,0,0|2,0,0]=4 1402 B7R0.2 CO[C@H](C)CC(=O)O Amb27266082 [1,1,0,0,0,0|2,0,0]=4 1403 B7R0.2 CSC(C)CC(=O)O Amb18967824 [1,1,0,0,0,0|2,0,0]=4 1404 B7R0.2 CS[C@H](C)CC(=O)O Amb27648548 [1,1,0,0,0,0|2,0,0]=4 1405 B7R0.2 C[C@@H](CN)CC(=O)O Amb26864355 [1,1,0,0,0,0|1,0,1]=4 1406 B7R0.2 C[C@@H](CN)CC(=O)O Amb32656230 [1,1,0,0,0,0|1,0,1]=4 1407 B7R0.2 C[C@H](CN)CC(=O)O Amb26887694 [1,1,0,0,0,0|1,0,1]=4 1408 B7R0.2 C[C@H](CN)CC(=O)O Amb32663834 [1,1,0,0,0,0|1,0,1]=4 1409 B7R0.2 C[C@H](CO)CC(=O)O Amb28040661 [1,1,0,0,0,0|0,0,1]=3 1410 B7R0.2 C\C(CC(=O)O)=N/O Amb28388976 [1,1,0,0,0,0|1,0,1]=4 1411 B7R0.2 C\C=C(\Cl)CC(=O)O Amb25174797 [1,1,0,0,0,0|1,0,1]=4 1412 B7R0.2 N#CC(N)CC(=O)O Amb27985578 [1,1,0,0,0,0|1,0,1]=4 1413 B7R0.2 NC(=O)CC(Br)CO Amb28384721 [1,1,0,0,0,0|1,0,1]=4 1414 B7R0.2 NC(=O)CC(O)CO Amb25662216 [1,1,0,0,0,0|1,0,1]=4 1415 B7R0.2 NC(=O)C[C@H](O)CO Amb8388588 [1,1,0,0,0,0|1,0,1]=4 1416 B7R0.2 NC(C=O)CC(=O)O Amb27669608 [1,1,0,0,0,0|0,0,0]=2 1417 B7R0.2 NC(CF)CC(=O)O Amb24428065 [1,1,0,0,0,0|1,0,1]=4 1418 B7R0.2 NC(CS)CC(=O)O Amb25090412 [1,1,0,0,0,0|0,1,1]=4 1419 B7R0.2 NCC(N)CC(=O)O Amb19515145 [1,1,0,0,0,0|1,0,1]=4 1420 B7R0.2 NCC(N)CC(=O)O Amb21858324 [1,1,0,0,0,0|1,0,1]=4 1421 B7R0.2 NCC(O)CC(=O)O Amb32663899 [1,1,0,0,0,0|1,0,1]=4 1422 B7R0.2 NCC(O)CC(=O)O Amb33544754 [1,1,0,0,0,0|1,0,1]=4 1423 B7R0.2 NC[C@@H](F)CC(=O)O Amb27481078 [1,1,0,0,0,0|1,0,1]=4 1424 B7R0.2 NC[C@@H](N)CC(=O)O Amb10603267 [1,1,0,0,0,0|1,0,1]=4 1425 B7R0.2 NC[C@@H](O)CC(=O)O Amb32665211 [1,1,0,0,0,0|1,0,1]=4 1426 B7R0.2 NC[C@@H](O)CC(=O)O Amb8386098 [1,1,0,0,0,0|1,0,1]=4 1427 B7R0.2 NC[C@H](O)CC(=O)O Amb8628962 [1,1,0,0,0,0|1,0,1]=4 1428 B7R0.2 N[C@@H](CO)CC(=O)O Amb16184020 [1,1,0,0,0,0|0,0,1]=3 1429 B7R0.2 N[C@@H](CO)CC(=O)O Amb22388520 [1,1,0,0,0,0|0,0,1]=3 1430 B7R0.2 N[C@H](C=O)CC(=O)O Amb28428447 [1,1,0,0,0,0|0,0,0]=2 1431 B7R0.2 N[C@H](CO)CC(=O)O Amb2694944 [1,1,0,0,0,0|0,0,1]=3 1432 B7R0.2 N[C@H](CS)CC(=O)O Amb28326106 [1,1,0,0,0,0|0,1,1]=4 1433 B7R0.2 N\C(CC(=O)O)=N/O Amb8384544 [1,1,0,0,0,0|1,0,1]=4 1434 B7R0.2 O=C(O)CC(O)CBr Amb27592126 [1,1,0,0,0,0|1,0,1]=4 1435 B7R0.2 O=C(O)CC(O)CF Amb26557587 [1,1,0,0,0,0|1,0,1]=4 1436 B7R0.2 O=C(O)CC(O)CO Amb28120003 [1,1,0,0,0,0|0,0,1]=3 1437 B7R0.2 O=C(O)CC(O)CS Amb27244674 [1,1,0,0,0,0|0,1,1]=4 1438 B7R0.2 O=C(O)C[C@@H](O)CF Amb33377449 [1,1,0,0,0,0|1,0,1]=4 1439 B7R0.2 O=C(O)C[C@H](O)CBr Amb28325607 [1,1,0,0,0,0|1,0,1]=4 1440 B7R0.2 O=C(O)C[C@H](O)CCl Amb27830780 [1,1,0,0,0,0|1,0,1]=4 1441 B7R0.2 O=C(O)C[C@H](O)CF Amb33377451 [1,1,0,0,0,0|1,0,1]=4 1442 B7R0.2 O=C(O)C[C@H](O)CO Amb26353423 [1,1,0,0,0,0|0,0,1]=3 1443 B7R0.2 O=C(O)C\C(Cl)=C\Cl Amb27812877 [1,1,0,0,0,0|1,0,1]=4 1444 B7R0.2 O=C([O-])CC(O)CO Amb24117078 [1,1,0,0,0,0|0,0,2]=4 1445 B7R0.2 O=CN(O)CC(=O)O Amb25367291 [1,1,0,0,0,0|1,0,0]=3 1446 B7R0.2 O=C\C(Cl)=C/C(=O)O Amb27852924 [1,1,0,0,0,0|0,0,2]=4 1447 B7R0.3 C#CC(=C)CCC=O Amb27830103 [1,1,0,0,0,0|2,0,0]=4 1448 B7R0.3 C#CC(=O)CCCO Amb27593195 [1,1,0,0,0,0|1,0,1]=4 1449 B7R0.3 C#CCCC(=O)OC Amb18115985 [1,1,0,0,0,0|1,0,1]=4 1450 B7R0.3 C=C(C=O)CCCO Amb28128165 [1,1,0,0,0,0|1,0,1]=4 1451 B7R0.3 C=C(CC)CCC=O Amb27233336 [1,1,0,0,0,0|2,0,0]=4 1452 B7R0.3 C=CCCC(=N)NO Amb26959869 [1,1,0,0,0,0|2,0,0]=4 1453 B7R0.3 C=CCCC(=O)C#N Amb27749803 [1,1,0,0,0,0|2,0,0]=4 1454 B7R0.3 C=CCCC(=O)CBr Amb22059627 [1,1,0,0,0,0|2,0,0]=4 1455 B7R0.3 C=CCCC(=O)CC Amb9031676 [1,1,0,0,0,0|2,0,0]=4 1456 B7R0.3 C=CCCC(=O)CCl Amb22059504 [1,1,0,0,0,0|2,0,0]=4 1457 B7R0.3 C=CCCC(=O)CF Amb28074643 [1,1,0,0,0,0|2,0,0]=4 1458 B7R0.3 C=CCCC(=O)NC Amb25041195 [1,1,0,0,0,0|2,0,0]=4 1459 B7R0.3 C=CCCC(=O)NN Amb27775332 [1,1,0,0,0,0|2,0,0]=4 1460 B7R0.3 C=CCCC(=O)NN Amb27831946 [1,1,0,0,0,0|2,0,0]=4 1461 B7R0.3 C=CCCC(=O)NO Amb28205003 [1,1,0,0,0,0|1,0,0]=3 1462 B7R0.3 C=CCCC(=O)OC Amb2369959 [1,1,0,0,0,0|1,0,0]=3 1463 B7R0.3 C=CCCC(O)C=O Amb27863605 [1,1,0,0,0,0|1,0,1]=4 1464 B7R0.3 C=CCNC(=O)CO Amb33531863 [1,1,0,0,0,0|2,0,0]=4 1465 B7R0.3 C=CCNC(=O)NO Amb28134073 [1,1,0,0,0,0|2,0,0]=4 1466 B7R0.3 C=CCNC(=O)OC Amb17794125 [1,1,0,0,0,0|2,0,0]=4 1467 B7R0.3 C=CCOC(=O)OC Amb8515646 [1,1,0,0,0,0|2,0,0]=4 1468 B7R0.3 CCC(=O)NCC=O Amb17102054 [1,1,0,0,0,0|2,0,0]=4 1469 B7R0.3 CCCCC(=O)CO Amb26073501 [1,1,0,0,0,0|1,0,1]=4 1470 B7R0.3 CCCCC(=O)NO Amb6269796 [1,1,0,0,0,0|1,0,1]=4 1471 B7R0.3 CN(CCC=O)N=O Amb17617679 [1,1,0,0,0,0|2,0,0]=4 1472 B7R0.3 CNC(=O)CCCO Amb17231829 [1,1,0,0,0,0|1,0,1]=4 1473 B7R0.3 CNCCC(=O)NO Amb27763537 [1,1,0,0,0,0|2,0,0]=4 1474 B7R0.3 CNCCC(=O)OC Amb22168213 [1,1,0,0,0,0|2,0,0]=4 1475 B7R0.3 CNCCC(=O)OC Amb7969878 [1,1,0,0,0,0|2,0,0]=4 1476 B7R0.3 COC(=O)C#CC=O Amb27441102 [1,1,0,0,0,0|0,0,2]=4 1477 B7R0.3 COC(=O)CCC#N Amb2689406 [1,1,0,0,0,0|1,0,1]=4 1478 B7R0.3 COC(=O)CCC=O Amb18124259 [1,1,0,0,0,0|0,0,0]=2 1479 B7R0.3 COC(=O)CCCBr Amb8516943 [1,1,0,0,0,0|1,0,1]=4 1480 B7R0.3 COC(=O)CCCCl Amb3940271 [1,1,0,0,0,0|1,0,1]=4 1481 B7R0.3 COC(=O)CCCI Amb3941711 [1,1,0,0,0,0|1,0,1]=4 1482 B7R0.3 COC(=O)CCCN Amb402626 [1,1,0,0,0,0|1,0,1]=4 1483 B7R0.3 COC(=O)CCCS Amb19373761 [1,1,0,0,0,0|0,1,1]=4 1484 B7R0.3 COC(=O)CCC[NH3+] Amb2778689 [1,1,0,0,0,0|1,0,1]=4 1485 B7R0.3 COC(=O)CCON Amb29848091 [1,1,0,0,0,0|2,0,0]=4 1486 B7R0.3 COC(=O)CCSC Amb8393179 [1,1,0,0,0,0|2,0,0]=4 1487 B7R0.3 COC(=O)CN=C=O Amb3905407 [1,1,0,0,0,0|1,0,1]=4 1488 B7R0.3 COC(=O)CNC=O Amb22000868 [1,1,0,0,0,0|1,0,0]=3 1489 B7R0.3 COC(=O)CNC=S Amb27839121 [1,1,0,0,0,0|1,1,0]=4 1490 B7R0.3 COC(=O)C\C=C\Cl Amb28458363 [1,1,0,0,0,0|1,0,1]=4 1491 B7R0.3 COC(=O)NCC=O Amb27839038 [1,1,0,0,0,0|1,0,0]=3 1492 B7R0.3 COC(=O)NCCO Amb9285601 [1,1,0,0,0,0|1,0,1]=4 1493 B7R0.3 COC(=O)OCC=O Amb28208420 [1,1,0,0,0,0|1,0,0]=3 1494 B7R0.3 COC(=O)\C=C\C=O Amb18641759 [1,1,0,0,0,0|0,0,2]=4 1495 B7R0.3 COC(C)CCC=O Amb25917630 [1,1,0,0,0,0|1,0,1]=4 1496 B7R0.3 COCCC(=O)OC Amb6296150 [1,1,0,0,0,0|2,0,0]=4 1497 B7R0.3 CO\C(C)=C\CC=O Amb28283269 [1,1,0,0,0,0|1,0,1]=4 1498 B7R0.3 C\C(C=O)=C/CC=O Amb27236148 [1,1,0,0,0,0|1,0,1]=4 1499 B7R0.3 C\C(CCCO)=N/O Amb28207168 [1,1,0,0,0,0|1,0,1]=4 1500 B7R0.3 C\C=C\CC(=O)OC Amb8394879 [1,1,0,0,0,0|1,0,1]=4 1501 B7R0.3 NCC(O)CCC=O Amb27855481 [1,1,0,0,0,0|1,0,1]=4 1502 B7R0.3 NNC(=O)CCCO Amb535400 [1,1,0,0,0,0|1,0,1]=4 1503 B7R0.3 NNC(=O)CCNO Amb25128022 [1,1,0,0,0,0|2,0,0]=4 1504 B7R0.3 NNC(=O)CNC=O Amb28364902 [1,1,0,0,0,0|2,0,0]=4 1505 B7R0.3 O=C(CCCCl)NO Amb28061167 [1,1,0,0,0,0|1,0,1]=4 1506 B7R0.3 O=C(CCCF)NO Amb28185008 [1,1,0,0,0,0|1,0,1]=4 1507 B7R0.3 O=C(CO)CCCO Amb27227084 [1,1,0,0,0,0|0,0,1]=3 1508 B7R0.3 O=C(CO)NCCO Amb5798091 [1,1,0,0,0,0|1,0,1]=4 1509 B7R0.3 O=CC(=O)CCCO Amb27751348 [1,1,0,0,0,0|0,0,2]=4 1510 B7R0.3 O=CCCC(=O)CO Amb27799816 [1,1,0,0,0,0|0,0,0]=2 1511 B7R0.3 O=CCCC(Cl)C=O Amb27232955 [1,1,0,0,0,0|1,0,1]=4 1512 B7R0.3 O=CCC\C(Cl)=N\O Amb27751320 [1,1,0,0,0,0|1,0,0]=3 1513 B7R0.3 O=CC\C=C(/Cl)C=O Amb27401185 [1,1,0,0,0,0|1,0,1]=4 1514 B7R0.3 O=C[C@H](O)CCCO Amb27164637 [1,1,0,0,0,0|0,0,2]=4 1515 B7R0.3 O=C\C=C\C(=O)CO Amb24574003 [1,1,0,0,0,0|0,0,2]=4 1516 B7R0.3 [C-]#[N+]CCC(=O)OC Amb2689499 [1,1,0,0,0,0|2,0,0]=4 1517 B7R0.4 C#CCCCC(=O)O Amb2721705 [1,1,0,0,0,0|1,0,1]=4 1518 B7R0.4 C#CCNCC(=O)O Amb33551387 [1,1,0,0,0,0|1,0,1]=4 1519 B7R0.4 C#CCNCC(=O)O Amb6740302 [1,1,0,0,0,0|1,0,1]=4 1520 B7R0.4 C#CCOCC(=O)O Amb9208655 [1,1,0,0,0,0|1,0,1]=4 1521 B7R0.4 C#CCSCC(=O)O Amb2372297 [1,1,0,0,0,0|1,0,1]=4 1522 B7R0.4 C=C(C)CCNC=O Amb27228134 [1,1,0,0,0,0|2,0,0]=4 1523 B7R0.4 C=C(C)COCC=O Amb27949608 [1,1,0,0,0,0|2,0,0]=4 1524 B7R0.4 C=C(Cl)CCCC=O Amb27751311 [1,1,0,0,0,0|2,0,0]=4 1525 B7R0.4 C=C=CCCC(C)=O Amb28315801 [1,1,0,0,0,0|2,0,0]=4 1526 B7R0.4 C=C=CSCC(=O)O Amb27812092 [1,1,0,0,0,0|2,0,0]=4 1527 B7R0.4 C=CC#CCC(=O)O Amb27162652 [1,1,0,0,0,0|1,0,1]=4 1528 B7R0.4 C=CCC#CC(=O)O Amb28252724 [1,1,0,0,0,0|1,0,1]=4 1529 B7R0.4 C=CCCCC(=O)Cl Amb8392411 [1,1,0,0,0,0|2,0,0]=4 1530 B7R0.4 C=CCCCC(=O)O Amb3941675 [1,1,0,0,0,0|1,0,0]=3 1531 B7R0.4 C=CCCCC(C)=O Amb17593171 [1,1,0,0,0,0|2,0,0]=4 1532 B7R0.4 C=CCCNC(N)=O Amb25789999 [1,1,0,0,0,0|2,0,0]=4 1533 B7R0.4 C=CCCOC(=O)Cl Amb10844792 [1,1,0,0,0,0|2,0,0]=4 1534 B7R0.4 C=CCCOC(C)=O Amb3940828 [1,1,0,0,0,0|2,0,0]=4 1535 B7R0.4 C=CCCSC(C)=O Amb24117956 [1,1,0,0,0,0|2,0,0]=4 1536 B7R0.4 C=CCNCC(=O)O Amb7766404 [1,1,0,0,0,0|1,0,0]=3 1537 B7R0.4 C=CCNCC(=O)O Amb8631497 [1,1,0,0,0,0|1,0,0]=3 1538 B7R0.4 C=CCNCC(N)=O Amb6706481 [1,1,0,0,0,0|2,0,0]=4 1539 B7R0.4 C=CCOCC(=O)O Amb9208694 [1,1,0,0,0,0|1,0,0]=3 1540 B7R0.4 C=CCOCC(C)=O Amb27829146 [1,1,0,0,0,0|2,0,0]=4 1541 B7R0.4 C=CCOCC(N)=O Amb26859258 [1,1,0,0,0,0|2,0,0]=4 1542 B7R0.4 C=CCSCC(=O)O Amb33526723 [1,1,0,0,0,0|1,0,0]=3 1543 B7R0.4 C=CNCCC(=O)O Amb27429817 [1,1,0,0,0,0|1,0,0]=3 1544 B7R0.4 C=COCCC(=O)O Amb28350126 [1,1,0,0,0,0|1,0,0]=3 1545 B7R0.4 C=C\C=C\CC(=O)O Amb34916435 [1,1,0,0,0,0|1,0,1]=4 1546 B7R0.4 CC#CCCC(=O)O Amb3987196 [1,1,0,0,0,0|1,0,1]=4 1547 B7R0.4 CC(=O)CCCCO Amb10603864 [1,1,0,0,0,0|1,0,1]=4 1548 B7R0.4 CC(=O)CC\C=N\O Amb27656180 [1,1,0,0,0,0|1,0,0]=3 1549 B7R0.4 CC(=O)COCCO Amb28122841 [1,1,0,0,0,0|1,0,1]=4 1550 B7R0.4 CC(=O)CSCCO Amb4165952 [1,1,0,0,0,0|1,0,1]=4 1551 B7R0.4 CC(=O)CS\C=N\O Amb27973055 [1,1,0,0,0,0|2,0,0]=4 1552 B7R0.4 CC(=O)C\C=C\C=O Amb27165276 [1,1,0,0,0,0|1,0,1]=4 1553 B7R0.4 CC(=O)NCCC=O Amb17102165 [1,1,0,0,0,0|1,0,0]=3 1554 B7R0.4 CC(=O)NCCCO Amb3429354 [1,1,0,0,0,0|1,0,1]=4 1555 B7R0.4 CC(=O)OCCCO Amb25854267 [1,1,0,0,0,0|1,0,1]=4 1556 B7R0.4 CC(=O)SCCC=O Amb25101351 [1,1,0,0,0,0|1,0,0]=3 1557 B7R0.4 CC(C)=CCCC=O Amb17593168 [1,1,0,0,0,0|2,0,0]=4 1558 B7R0.4 CC(O)CCCC=O Amb18641887 [1,1,0,0,0,0|1,0,1]=4 1559 B7R0.4 CCCCCC(=O)O Amb3939846 [1,1,0,0,0,0|1,0,1]=4 1560 B7R0.4 CCCNCC(=O)O Amb10609640 [1,1,0,0,0,0|1,0,1]=4 1561 B7R0.4 CCCNCC(=O)O Amb1110628 [1,1,0,0,0,0|1,0,1]=4 1562 B7R0.4 CCCOCC(=O)O Amb8874504 [1,1,0,0,0,0|1,0,1]=4 1563 B7R0.4 CCCSCC(=O)O Amb1137113 [1,1,0,0,0,0|1,0,1]=4 1564 B7R0.4 CCNCCC(=O)O Amb28934794 [1,1,0,0,0,0|1,0,1]=4 1565 B7R0.4 CCNCCC(=O)O Amb7766402 [1,1,0,0,0,0|1,0,1]=4 1566 B7R0.4 CCOCCC(=O)O Amb3939859 [1,1,0,0,0,0|1,0,1]=4 1567 B7R0.4 CCSCCC(=O)O Amb6273140 [1,1,0,0,0,0|1,0,1]=4 1568 B7R0.4 CC\C=C/CC(=O)O Amb2720526 [1,1,0,0,0,0|1,0,1]=4 1569 B7R0.4 CC\C=C\CC(=O)O Amb3940332 [1,1,0,0,0,0|1,0,1]=4 1570 B7R0.4 CNCCCC(=O)O Amb1153115 [1,1,0,0,0,0|1,0,1]=4 1571 B7R0.4 CNCCCC(=O)O Amb4521435 [1,1,0,0,0,0|1,0,1]=4 1572 B7R0.4 COCCCC(=O)O Amb6275629 [1,1,0,0,0,0|0,0,1]=3 1573 B7R0.4 COCCCC(C)=O Amb9031556 [1,1,0,0,0,0|1,0,1]=4 1574 B7R0.4 COCOCC(=O)O Amb28059312 [1,1,0,0,0,0|1,0,1]=4 1575 B7R0.4 COCSCC(=O)O Amb27466837 [1,1,0,0,0,0|1,0,1]=4 1576 B7R0.4 CSCCCC(=O)O Amb17503622 [1,1,0,0,0,0|0,1,1]=4 1577 B7R0.4 CSCSCC(=O)O Amb27858824 [1,1,0,0,0,0|2,0,0]=4 1578 B7R0.4 CSSCCC(=O)O Amb26848465 [1,1,0,0,0,0|1,1,0]=4 1579 B7R0.4 CS\C=C\CC(=O)O Amb26656267 [1,1,0,0,0,0|0,1,1]=4 1580 B7R0.4 C\C(Cl)=C\CCC=O Amb27792418 [1,1,0,0,0,0|2,0,0]=4 1581 B7R0.4 C\C=C\CCC(=O)O Amb34910859 [1,1,0,0,0,0|1,0,0]=3 1582 B7R0.4 C\C=C\CCC(C)=O Amb9031579 [1,1,0,0,0,0|2,0,0]=4 1583 B7R0.4 N#CCCCC(=O)O Amb33542831 [1,1,0,0,0,0|1,0,1]=4 1584 B7R0.4 N#CCSCC(=O)O Amb6243720 [1,1,0,0,0,0|1,0,1]=4 1585 B7R0.4 N#CNCCC(=O)O Amb30031691 [1,1,0,0,0,0|1,0,1]=4 1586 B7R0.4 NC(=O)CCCCO Amb3939470 [1,1,0,0,0,0|1,0,1]=4 1587 B7R0.4 NC(=O)CC\C=C\Cl Amb25173831 [1,1,0,0,0,0|2,0,0]=4 1588 B7R0.4 NC(=O)CNCCO Amb6714605 [1,1,0,0,0,0|1,0,1]=4 1589 B7R0.4 NC(=O)CSCCO Amb6754148 [1,1,0,0,0,0|1,0,1]=4 1590 B7R0.4 NC(=O)NCCCO Amb9248133 [1,1,0,0,0,0|1,0,1]=4 1591 B7R0.4 NC(=O)NCCN=O Amb27796959 [1,1,0,0,0,0|2,0,0]=4 1592 B7R0.4 NC(=S)CCNC=O Amb27395809 [1,1,0,0,0,0|1,1,0]=4 1593 B7R0.4 NC(=S)SCCC=O Amb27839069 [1,1,0,0,0,0|1,1,0]=4 1594 B7R0.4 NCCCCC(=O)O Amb2780021 [1,1,0,0,0,0|1,0,1]=4 1595 B7R0.4 NCCCCC(=O)O Amb3941646 [1,1,0,0,0,0|1,0,1]=4 1596 B7R0.4 NCCCCC(=O)O Amb9825855 [1,1,0,0,0,0|1,0,1]=4 1597 B7R0.4 NCCCNC(=O)O Amb24093884 [1,1,0,0,0,0|1,0,1]=4 1598 B7R0.4 NCCNCC(=O)O Amb17608063 [1,1,0,0,0,0|1,0,1]=4 1599 B7R0.4 NCCNCC(=O)O Amb33339058 [1,1,0,0,0,0|1,0,1]=4 1600 B7R0.4 NCCOCC(=O)O Amb18630146 [1,1,0,0,0,0|1,0,1]=4 1601 B7R0.4 NCCOCC(=O)O Amb33550947 [1,1,0,0,0,0|1,0,1]=4 1602 B7R0.4 NCCSCC(=O)O Amb17500446 [1,1,0,0,0,0|1,0,1]=4 1603 B7R0.4 NCCSCC(=O)O Amb20622325 [1,1,0,0,0,0|1,0,1]=4 1604 B7R0.4 NOCCCC(=O)O Amb10975956 [1,1,0,0,0,0|0,0,1]=3 1605 B7R0.4 NOCCCC(=O)O Amb22011795 [1,1,0,0,0,0|0,0,1]=3 1606 B7R0.4 NOCCCC(=O)O Amb31283653 [1,1,0,0,0,0|0,0,1]=3 1607 B7R0.4 O=C(O)C#CCCO Amb25844914 [1,1,0,0,0,0|0,0,2]=4 1608 B7R0.4 O=C(O)CCCCBr Amb6608763 [1,1,0,0,0,0|1,0,1]=4 1609 B7R0.4 O=C(O)CCCCCl Amb3940369 [1,1,0,0,0,0|1,0,1]=4 1610 B7R0.4 O=C(O)CCCCF Amb26639920 [1,1,0,0,0,0|1,0,1]=4 1611 B7R0.4 O=C(O)CCCCO Amb9214971 [1,1,0,0,0,0|0,0,1]=3 1612 B7R0.4 O=C(O)CCCCS Amb17503767 [1,1,0,0,0,0|0,1,1]=4 1613 B7R0.4 O=C(O)CCCNCl Amb27173950 [1,1,0,0,0,0|1,0,1]=4 1614 B7R0.4 O=C(O)CCN=C=S Amb24562253 [1,1,0,0,0,0|0,1,1]=4 1615 B7R0.4 O=C(O)CC\C=C\Br Amb25238247 [1,1,0,0,0,0|1,0,0]=3 1616 B7R0.4 O=C(O)CC\C=N\O Amb27211579 [1,1,0,0,0,0|0,0,0]=2 1617 B7R0.4 O=C(O)CNCCF Amb28076282 [1,1,0,0,0,0|1,0,1]=4 1618 B7R0.4 O=C(O)CNCCO Amb9325653 [1,1,0,0,0,0|0,0,1]=3 1619 B7R0.4 O=C(O)COCCCl Amb21857870 [1,1,0,0,0,0|1,0,1]=4 1620 B7R0.4 O=C(O)COCCF Amb27866609 [1,1,0,0,0,0|1,0,1]=4 1621 B7R0.4 O=C(O)COCCO Amb6680914 [1,1,0,0,0,0|0,0,1]=3 1622 B7R0.4 O=C(O)CSCCCl Amb18644703 [1,1,0,0,0,0|1,0,1]=4 1623 B7R0.4 O=C(O)C\C=C/CS Amb18124361 [1,1,0,0,0,0|0,1,1]=4 1624 B7R0.4 O=C(O)C\C=C\CO Amb28429811 [1,1,0,0,0,0|0,0,1]=3 1625 B7R0.4 O=C(O)C\C=C\CS Amb24693621 [1,1,0,0,0,0|0,1,1]=4 1626 B7R0.4 O=C(O)\C=C/C=N/O Amb27449866 [1,1,0,0,0,0|0,0,2]=4 1627 B7R0.4 O=C([O-])CCCCO Amb13952763 [1,1,0,0,0,0|0,0,2]=4 1628 B7R0.4 O=C([O-])CCCCO Amb22749314 [1,1,0,0,0,0|0,0,2]=4 1629 B7R0.4 O=C([O-])COCCO Amb33553026 [1,1,0,0,0,0|0,0,2]=4 1630 B7R0.4 O=C=NCCC(=O)Cl Amb17593404 [1,1,0,0,0,0|1,0,1]=4 1631 B7R0.4 O=C=NCCC(=O)O Amb26053417 [1,1,0,0,0,0|0,0,1]=3 1632 B7R0.4 O=CCCCC(=O)O Amb17593198 [1,1,0,0,0,0|0,0,0]=2 1633 B7R0.4 O=CCCCC(O)O Amb25889261 [1,1,0,0,0,0|0,0,2]=4 1634 B7R0.4 O=CNCCC(=O)O Amb18290434 [1,1,0,0,0,0|0,0,0]=2 1635 B7R0.4 O=CNOCC(=O)O Amb27477273 [1,1,0,0,0,0|1,0,0]=3 1636 B7R0.4 O=NSCCC(=O)O Amb28429846 [1,1,0,0,0,0|1,0,0]=3 1637 B7R0.4 [N-]=[N+]=NCCC(=O)O Amb20622326 [1,1,0,0,0,0|2,0,0]=4 1638 B7R0.5 C#CCC(C)C(=O)O Amb18633959 [1,1,0,0,0,0|1,0,1]=4 1639 B7R0.5 C#CCC(N)C(=O)O Amb19944472 [1,1,0,0,0,0|1,0,1]=4 1640 B7R0.5 C#CCC(N)C(=O)O Amb9721758 [1,1,0,0,0,0|1,0,1]=4 1641 B7R0.5 C#CCC(O)C(=O)O Amb27154881 [1,1,0,0,0,0|1,0,1]=4 1642 B7R0.5 C#CC[C@@H](N)C(=O)O Amb16183954 [1,1,0,0,0,0|1,0,1]=4 1643 B7R0.5 C#CC[C@@H](N)C(=O)O Amb22748688 [1,1,0,0,0,0|1,0,1]=4 1644 B7R0.5 C#CC[C@H](C)C(=O)O Amb10844036 [1,1,0,0,0,0|1,0,1]=4 1645 B7R0.5 C#CC[C@H](N)C(=O)O Amb8396606 [1,1,0,0,0,0|1,0,1]=4 1646 B7R0.5 C=C(CCO)C(=O)O Amb27173904 [1,1,0,0,0,0|0,0,2]=4 1647 B7R0.5 C=CCC(=C)C(=O)O Amb18641687 [1,1,0,0,0,0|1,0,1]=4 1648 B7R0.5 C=CCC(=O)C(=O)O Amb25890017 [1,1,0,0,0,0|1,0,1]=4 1649 B7R0.5 C=CCC(Br)C(C)=O Amb27760403 [1,1,0,0,0,0|2,0,0]=4 1650 B7R0.5 C=CCC(C)C(=O)O Amb33545044 [1,1,0,0,0,0|1,0,0]=3 1651 B7R0.5 C=CCC(C)C(C)=O Amb19373098 [1,1,0,0,0,0|2,0,0]=4 1652 B7R0.5 C=CCC(C)C(N)=O Amb27788519 [1,1,0,0,0,0|2,0,0]=4 1653 B7R0.5 C=CCC(Cl)C(=O)Cl Amb27463323 [1,1,0,0,0,0|2,0,0]=4 1654 B7R0.5 C=CCC(Cl)C(=O)O Amb25056173 [1,1,0,0,0,0|1,0,0]=3 1655 B7R0.5 C=CCC(F)C(=O)O Amb28071391 [1,1,0,0,0,0|1,0,0]=3 1656 B7R0.5 C=CCC(F)C(C)=O Amb19889753 [1,1,0,0,0,0|2,0,0]=4 1657 B7R0.5 C=CCC(N)C(=O)Cl Amb27413912 [1,1,0,0,0,0|2,0,0]=4 1658 B7R0.5 C=CCC(N)C(=O)O Amb21856826 [1,1,0,0,0,0|1,0,0]=3 1659 B7R0.5 C=CCC(N)C(=O)O Amb9729145 [1,1,0,0,0,0|1,0,0]=3 1660 B7R0.5 C=CCC(N)C(C)=O Amb27194092 [1,1,0,0,0,0|2,0,0]=4 1661 B7R0.5 C=CCC(N)C(N)=O Amb26585896 [1,1,0,0,0,0|2,0,0]=4 1662 B7R0.5 C=CCC(O)C(C)=O Amb26451431 [1,1,0,0,0,0|2,0,0]=4 1663 B7R0.5 C=CC[C@@H](N)C(=O)O Amb22745310 [1,1,0,0,0,0|1,0,0]=3 1664 B7R0.5 C=CC[C@@H](N)C(=O)O Amb8389451 [1,1,0,0,0,0|1,0,0]=3 1665 B7R0.5 C=CC[C@@H](N)C(N)=O Amb27838370 [1,1,0,0,0,0|2,0,0]=4 1666 B7R0.5 C=CC[C@H](C)C(C)=O Amb26641913 [1,1,0,0,0,0|2,0,0]=4 1667 B7R0.5 C=CC[C@H](N)C(=O)Cl Amb28120452 [1,1,0,0,0,0|2,0,0]=4 1668 B7R0.5 C=CC[C@H](N)C(=O)O Amb10982568 [1,1,0,0,0,0|1,0,0]=3 1669 B7R0.5 C=CC[C@H](N)C(=O)O Amb2699115 [1,1,0,0,0,0|1,0,0]=3 1670 B7R0.5 CC(=O)C(=O)CC=O Amb24524264 [1,1,0,0,0,0|1,0,1]=4 1671 B7R0.5 CC(=O)C(Br)CCO Amb27858653 [1,1,0,0,0,0|1,0,1]=4 1672 B7R0.5 CC(=O)C(C)CCO Amb13881368 [1,1,0,0,0,0|1,0,1]=4 1673 B7R0.5 CC(=O)C(C)NC=O Amb23442778 [1,1,0,0,0,0|2,0,0]=4 1674 B7R0.5 CC(=O)C(C)OC=O Amb26492625 [1,1,0,0,0,0|2,0,0]=4 1675 B7R0.5 CC(=O)C(Cl)CC=O Amb18642970 [1,1,0,0,0,0|1,0,0]=3 1676 B7R0.5 CC(=O)C(Cl)CCO Amb4017890 [1,1,0,0,0,0|1,0,1]=4 1677 B7R0.5 CC(=O)C(N)CCO Amb25087112 [1,1,0,0,0,0|1,0,1]=4 1678 B7R0.5 CC(=O)C(S)CCO Amb25831127 [1,1,0,0,0,0|1,0,1]=4 1679 B7R0.5 CC(=O)N(C)CC=O Amb17080668 [1,1,0,0,0,0|2,0,0]=4 1680 B7R0.5 CC(=O)[C@@H](N)CCO Amb28410323 [1,1,0,0,0,0|1,0,1]=4 1681 B7R0.5 CC(=O)[C@H](O)CC=O Amb27446551 [1,1,0,0,0,0|1,0,0]=3 1682 B7R0.5 CC(CC#N)C(=O)O Amb17334056 [1,1,0,0,0,0|1,0,1]=4 1683 B7R0.5 CC(CC=O)C(=O)O Amb27952476 [1,1,0,0,0,0|0,0,0]=2 1684 B7R0.5 CC(CCBr)C(=O)O Amb27409152 [1,1,0,0,0,0|1,0,1]=4 1685 B7R0.5 CC(CCF)C(=O)O Amb24678386 [1,1,0,0,0,0|1,0,1]=4 1686 B7R0.5 CC(CCN)C(=O)O Amb20667970 [1,1,0,0,0,0|1,0,1]=4 1687 B7R0.5 CC(CCN)C(=O)O Amb538221 [1,1,0,0,0,0|1,0,1]=4 1688 B7R0.5 CC(CCO)C(=O)O Amb18641949 [1,1,0,0,0,0|0,0,1]=3 1689 B7R0.5 CC(CCO)C(=O)[O-] Amb33330478 [1,1,0,0,0,0|0,0,2]=4 1690 B7R0.5 CC(CCO)C(N)=O Amb28280962 [1,1,0,0,0,0|1,0,1]=4 1691 B7R0.5 CC(CNO)C(=O)O Amb28315956 [1,1,0,0,0,0|1,0,0]=3 1692 B7R0.5 CC(CSS)C(=O)O Amb27437183 [1,1,0,0,0,0|1,1,0]=4 1693 B7R0.5 CC(N=C=O)C(=O)O Amb33471295 [1,1,0,0,0,0|1,0,1]=4 1694 B7R0.5 CC(NC=O)C(=O)O Amb1144629 [1,1,0,0,0,0|1,0,0]=3 1695 B7R0.5 CC(NCO)C(=O)O Amb27468253 [1,1,0,0,0,0|1,0,1]=4 1696 B7R0.5 CC(OC=O)C(=O)O Amb27872094 [1,1,0,0,0,0|1,0,0]=3 1697 B7R0.5 CC(\N=N\O)C(=O)O Amb28251041 [1,1,0,0,0,0|2,0,0]=4 1698 B7R0.5 CCCC(Br)C(=O)O Amb2795765 [1,1,0,0,0,0|1,0,1]=4 1699 B7R0.5 CCCC(C)C(=O)O Amb3938958 [1,1,0,0,0,0|1,0,1]=4 1700 B7R0.5 CCCC(Cl)C(=O)O Amb17593470 [1,1,0,0,0,0|1,0,1]=4 1701 B7R0.5 CCCC(F)C(=O)O Amb25842008 [1,1,0,0,0,0|1,0,1]=4 1702 B7R0.5 CCCC(N)C(=O)O Amb6262055 [1,1,0,0,0,0|1,0,1]=4 1703 B7R0.5 CCCC(O)C(=O)O Amb2818222 [1,1,0,0,0,0|1,0,1]=4 1704 B7R0.5 CCCC(S)C(=O)O Amb18124440 [1,1,0,0,0,0|1,0,1]=4 1705 B7R0.5 CCC[C@@H](C)C(=O)O Amb10844028 [1,1,0,0,0,0|1,0,1]=4 1706 B7R0.5 CCC[C@@H](Cl)C(=O)O Amb27266071 [1,1,0,0,0,0|1,0,1]=4 1707 B7R0.5 CCC[C@@H](N)C(=O)O Amb8514700 [1,1,0,0,0,0|1,0,1]=4 1708 B7R0.5 CCC[C@@H](O)C(=O)O Amb22746731 [1,1,0,0,0,0|1,0,1]=4 1709 B7R0.5 CCC[C@H](Br)C(=O)O Amb26515784 [1,1,0,0,0,0|1,0,1]=4 1710 B7R0.5 CCC[C@H](C)C(=O)O Amb10844037 [1,1,0,0,0,0|1,0,1]=4 1711 B7R0.5 CCC[C@H](Cl)C(=O)O Amb27801931 [1,1,0,0,0,0|1,0,1]=4 1712 B7R0.5 CCC[C@H](N)C(=O)O Amb30647420 [1,1,0,0,0,0|1,0,1]=4 1713 B7R0.5 CCC[C@H](N)C(=O)O Amb8514701 [1,1,0,0,0,0|1,0,1]=4 1714 B7R0.5 CCC[C@H](O)C(=O)O Amb22226514 [1,1,0,0,0,0|1,0,1]=4 1715 B7R0.5 CCC[C@H](S)C(=O)O Amb28045752 [1,1,0,0,0,0|1,0,1]=4 1716 B7R0.5 CNCC(C)C(=O)O Amb13952364 [1,1,0,0,0,0|2,0,0]=4 1717 B7R0.5 CNCC(C)C(=O)O Amb9400281 [1,1,0,0,0,0|2,0,0]=4 1718 B7R0.5 CNCC(N)C(=O)O Amb10845350 [1,1,0,0,0,0|2,0,0]=4 1719 B7R0.5 CNCC(O)C(=O)O Amb26894610 [1,1,0,0,0,0|2,0,0]=4 1720 B7R0.5 CNC[C@H](N)C(=O)O Amb17617148 [1,1,0,0,0,0|2,0,0]=4 1721 B7R0.5 CNC[C@H](N)C(=O)O Amb19892230 [1,1,0,0,0,0|2,0,0]=4 1722 B7R0.5 COCC(Br)C(=O)O Amb17594709 [1,1,0,0,0,0|2,0,0]=4 1723 B7R0.5 COCC(C)C(=O)O Amb33545090 [1,1,0,0,0,0|2,0,0]=4 1724 B7R0.5 COCC(Cl)C(=O)O Amb10068384 [1,1,0,0,0,0|2,0,0]=4 1725 B7R0.5 COCC(N)C(=O)O Amb33551350 [1,1,0,0,0,0|2,0,0]=4 1726 B7R0.5 COCC(N)C(=O)O Amb6752055 [1,1,0,0,0,0|2,0,0]=4 1727 B7R0.5 COCC(O)C(=O)O Amb18124273 [1,1,0,0,0,0|2,0,0]=4 1728 B7R0.5 COCC(S)C(=O)O Amb27763656 [1,1,0,0,0,0|2,0,0]=4 1729 B7R0.5 COC[C@@H](C)C(=O)O Amb26599229 [1,1,0,0,0,0|2,0,0]=4 1730 B7R0.5 COC[C@@H](N)C(=O)O Amb10604051 [1,1,0,0,0,0|2,0,0]=4 1731 B7R0.5 COC[C@@H](N)C(=O)O Amb22744762 [1,1,0,0,0,0|2,0,0]=4 1732 B7R0.5 COC[C@H](C)C(=O)O Amb10844266 [1,1,0,0,0,0|2,0,0]=4 1733 B7R0.5 COC[C@H](N)C(=O)O Amb33801358 [1,1,0,0,0,0|2,0,0]=4 1734 B7R0.5 COC[C@H](N)C(=O)O Amb8515080 [1,1,0,0,0,0|2,0,0]=4 1735 B7R0.5 COC[C@H](O)C(=O)O Amb27778843 [1,1,0,0,0,0|2,0,0]=4 1736 B7R0.5 CSCC(C)C(=O)O Amb18967825 [1,1,0,0,0,0|2,0,0]=4 1737 B7R0.5 CSCC(Cl)C(=O)O Amb26878419 [1,1,0,0,0,0|2,0,0]=4 1738 B7R0.5 CSCC(N)C(=O)O Amb33804791 [1,1,0,0,0,0|2,0,0]=4 1739 B7R0.5 CSCC(N)C(=O)O Amb6280829 [1,1,0,0,0,0|2,0,0]=4 1740 B7R0.5 CSCC(O)C(=O)O Amb25131873 [1,1,0,0,0,0|2,0,0]=4 1741 B7R0.5 CSC[C@@H](C)C(=O)O Amb26047434 [1,1,0,0,0,0|2,0,0]=4 1742 B7R0.5 CSC[C@@H](N)C(=O)O Amb9813743 [1,1,0,0,0,0|2,0,0]=4 1743 B7R0.5 CSC[C@H](N)C(=O)O Amb6364886 [1,1,0,0,0,0|2,0,0]=4 1744 B7R0.5 C[C@@H](CCF)C(=O)O Amb33744644 [1,1,0,0,0,0|1,0,1]=4 1745 B7R0.5 C[C@@H](CCN)C(=O)O Amb10844043 [1,1,0,0,0,0|1,0,1]=4 1746 B7R0.5 C[C@@H](N=C=O)C(=O)O Amb33189209 [1,1,0,0,0,0|1,0,1]=4 1747 B7R0.5 C[C@@H](NC=O)C(N)=O Amb27837549 [1,1,0,0,0,0|2,0,0]=4 1748 B7R0.5 C[C@@H](O)[C@@H](O)CC=O Amb27643485 [1,1,0,0,0,0|1,0,1]=4 1749 B7R0.5 C[C@@H](O)[C@H](O)CC=O Amb27798254 [1,1,0,0,0,0|1,0,1]=4 1750 B7R0.5 C[C@H](CCF)C(=O)O Amb33738115 [1,1,0,0,0,0|1,0,1]=4 1751 B7R0.5 C[C@H](N=C=O)C(=O)O Amb33471333 [1,1,0,0,0,0|1,0,1]=4 1752 B7R0.5 C[C@H](NC=O)C(=O)O Amb28323701 [1,1,0,0,0,0|1,0,0]=3 1753 B7R0.5 C[C@H](NCO)C(=O)O Amb24401217 [1,1,0,0,0,0|1,0,1]=4 1754 B7R0.5 C[Se]C[C@@H](N)C(=O)O Amb22745692 [1,1,0,0,0,0|2,0,0]=4 1755 B7R0.5 C[Se]C[C@H](N)C(=O)O Amb10601626 [1,1,0,0,0,0|2,0,0]=4 1756 B7R0.5 C\C(=C/C=O)C(=O)O Amb27165186 [1,1,0,0,0,0|0,0,2]=4 1757 B7R0.5 C\C=C\C(Br)C(=O)O Amb27451575 [1,1,0,0,0,0|1,0,1]=4 1758 B7R0.5 C\C=C\C(O)C(=O)O Amb30585115 [1,1,0,0,0,0|1,0,1]=4 1759 B7R0.5 C\C=C\[C@@H](N)C(=O)O Amb27948524 [1,1,0,0,0,0|1,0,1]=4 1760 B7R0.5 C\C=C\[C@@H](O)C(=O)O Amb28368832 [1,1,0,0,0,0|1,0,1]=4 1761 B7R0.5 C\C=C\[C@H](O)C(=O)O Amb27162651 [1,1,0,0,0,0|1,0,1]=4 1762 B7R0.5 N#CCC(N)C(=O)O Amb18641766 [1,1,0,0,0,0|1,0,1]=4 1763 B7R0.5 N#CC[C@@H](N)C(=O)O Amb26397494 [1,1,0,0,0,0|1,0,1]=4 1764 B7R0.5 N#CC[C@H](N)C(=O)O Amb16183916 [1,1,0,0,0,0|1,0,1]=4 1765 B7R0.5 NC(=O)C(N)CCO Amb24481392 [1,1,0,0,0,0|1,0,1]=4 1766 B7R0.5 NC(=O)C(N)CNO Amb27396201 [1,1,0,0,0,0|2,0,0]=4 1767 B7R0.5 NC(CCBr)C(=O)O Amb21858417 [1,1,0,0,0,0|1,0,1]=4 1768 B7R0.5 NC(CCCl)C(=O)O Amb28241385 [1,1,0,0,0,0|1,0,1]=4 1769 B7R0.5 NC(CCF)C(=O)O Amb25889337 [1,1,0,0,0,0|1,0,1]=4 1770 B7R0.5 NC(CCF)C(=O)O Amb28934889 [1,1,0,0,0,0|1,0,1]=4 1771 B7R0.5 NC(CCO)C(=O)O Amb8514287 [1,1,0,0,0,0|0,0,1]=3 1772 B7R0.5 NC(CCS)C(=O)O Amb19267093 [1,1,0,0,0,0|0,1,1]=4 1773 B7R0.5 NC(CCS)C(=O)O Amb3499433 [1,1,0,0,0,0|0,1,1]=4 1774 B7R0.5 NC(CNO)C(=O)O Amb4092732 [1,1,0,0,0,0|1,0,0]=3 1775 B7R0.5 NC(CO[SiH3])C(=O)O Amb27461306 [1,1,0,0,0,0|2,0,0]=4 1776 B7R0.5 NC(\C=C\F)C(=O)O Amb27666430 [1,1,0,0,0,0|1,0,1]=4 1777 B7R0.5 NCCC(Br)C(=O)O Amb28128317 [1,1,0,0,0,0|1,0,1]=4 1778 B7R0.5 NCCC(F)C(=O)O Amb10838221 [1,1,0,0,0,0|1,0,1]=4 1779 B7R0.5 NCCC(F)C(=O)O Amb22229524 [1,1,0,0,0,0|1,0,1]=4 1780 B7R0.5 NCCC(N)C(=O)O Amb2697841 [1,1,0,0,0,0|1,0,1]=4 1781 B7R0.5 NCCC(N)C(=O)O Amb8514694 [1,1,0,0,0,0|1,0,1]=4 1782 B7R0.5 NCCC(O)C(=O)O Amb16232090 [1,1,0,0,0,0|1,0,1]=4 1783 B7R0.5 NCC[C@@H](F)C(=O)O Amb24055858 [1,1,0,0,0,0|1,0,1]=4 1784 B7R0.5 NCC[C@@H](N)C(=O)O Amb16183852 [1,1,0,0,0,0|1,0,1]=4 1785 B7R0.5 NCC[C@@H](N)C(=O)O Amb23438994 [1,1,0,0,0,0|1,0,1]=4 1786 B7R0.5 NCC[C@@H](N)C(=O)O Amb8390364 [1,1,0,0,0,0|1,0,1]=4 1787 B7R0.5 NCC[C@@H](O)C(=O)O Amb22748225 [1,1,0,0,0,0|1,0,1]=4 1788 B7R0.5 NCC[C@H](F)C(=O)O Amb24055857 [1,1,0,0,0,0|1,0,1]=4 1789 B7R0.5 NCC[C@H](N)C(=O)O Amb16183862 [1,1,0,0,0,0|1,0,1]=4 1790 B7R0.5 NCC[C@H](N)C(=O)O Amb2720151 [1,1,0,0,0,0|1,0,1]=4 1791 B7R0.5 NCC[C@H](N)C(=O)O Amb33812683 [1,1,0,0,0,0|1,0,1]=4 1792 B7R0.5 NCC[C@H](N)C(=O)O Amb9825390 [1,1,0,0,0,0|1,0,1]=4 1793 B7R0.5 NCC[C@H](O)C(=O)O Amb8386099 [1,1,0,0,0,0|1,0,1]=4 1794 B7R0.5 NOCC(N)C(=O)O Amb24184086 [1,1,0,0,0,0|2,0,0]=4 1795 B7R0.5 N[C@@H](CCBr)C(=O)O Amb8515827 [1,1,0,0,0,0|1,0,1]=4 1796 B7R0.5 N[C@@H](CCF)C(=O)O Amb26458628 [1,1,0,0,0,0|1,0,1]=4 1797 B7R0.5 N[C@@H](CCO)C(=O)O Amb20242705 [1,1,0,0,0,0|0,0,1]=3 1798 B7R0.5 N[C@@H](CCO)C(=O)O Amb6600040 [1,1,0,0,0,0|0,0,1]=3 1799 B7R0.5 N[C@@H](CCS)C(=O)O Amb6600039 [1,1,0,0,0,0|0,1,1]=4 1800 B7R0.5 N[C@@H](\C=C/F)C(=O)O Amb27447269 [1,1,0,0,0,0|1,0,1]=4 1801 B7R0.5 N[C@H](CC=O)C(=O)O Amb27839576 [1,1,0,0,0,0|0,0,0]=2 1802 B7R0.5 N[C@H](CCF)C(=O)O Amb27206623 [1,1,0,0,0,0|1,0,1]=4 1803 B7R0.5 N[C@H](CCI)C(=O)O Amb27600675 [1,1,0,0,0,0|1,0,1]=4 1804 B7R0.5 N[C@H](CCO)C(=O)O Amb4166299 [1,1,0,0,0,0|0,0,1]=3 1805 B7R0.5 N[C@H](C[SH]=O)C(=O)O Amb27596028 [1,1,0,0,0,0|1,0,0]=3 1806 B7R0.5 O=C(O)C(=O)CCO Amb25677024 [1,1,0,0,0,0|0,0,2]=4 1807 B7R0.5 O=C(O)C(Br)CCBr Amb19889695 [1,1,0,0,0,0|1,0,1]=4 1808 B7R0.5 O=C(O)C(Br)CCO Amb28325416 [1,1,0,0,0,0|0,0,1]=3 1809 B7R0.5 O=C(O)C(Cl)CCCl Amb18126030 [1,1,0,0,0,0|1,0,1]=4 1810 B7R0.5 O=C(O)C(O)CCCl Amb27644540 [1,1,0,0,0,0|1,0,1]=4 1811 B7R0.5 O=C(O)C(O)CCF Amb28071189 [1,1,0,0,0,0|1,0,1]=4 1812 B7R0.5 O=C(O)C(O)CCO Amb24689942 [1,1,0,0,0,0|0,0,1]=3 1813 B7R0.5 O=C(O)C(O)CNO Amb27405525 [1,1,0,0,0,0|1,0,0]=3 1814 B7R0.5 O=C(O)C(S)CCS Amb27634893 [1,1,0,0,0,0|0,1,1]=4 1815 B7R0.5 O=C(O)[C@@H](O)CCBr Amb27238673 [1,1,0,0,0,0|1,0,1]=4 1816 B7R0.5 O=CCC(=O)C(=O)O Amb26326260 [1,1,0,0,0,0|0,0,1]=3 1817 B7R0.5 O=C\C=C(/Br)C(=O)O Amb28320595 [1,1,0,0,0,0|0,0,2]=4 1818 B7R0.5 O=C\C=C(/Cl)C(=O)O Amb27784434 [1,1,0,0,0,0|0,0,2]=4 1819 B7R0.8 CP(=O)(O)CCC=O Amb27643443 [1,1,0,0,0,0|1,0,0]=3 1820 B7R0.8 CS(=O)(=O)CCC=O Amb28289688 [1,1,0,0,0,0|1,0,1]=4 1821 B7R0.8 O=CCOP(=O)(O)O Amb27169501 [1,1,0,0,0,0|2,0,0]=4 1822 B7R0.8 O=CCOS(=O)(=O)O Amb27255602 [1,1,0,0,0,0|2,0,0]=4 1823 B7R0.8 O=P(O)(O)CCCO Amb28207371 [1,1,0,0,0,0|1,0,1]=4 1824 B7R0.9 CC(C)(O)CC(=O)O Amb10605560 [0,1,0,0,1,0|1,0,1]=4 1825 B7R0.9 CC(O)(F)CC(=O)O Amb28072926 [0,1,0,0,1,0|1,0,1]=4 1826 B7R0.9 CC(O)(O)CC(=O)O Amb27405076 [0,1,0,0,1,0|0,0,2]=4 1827 B7R0.9 CP(=O)(O)CC(=O)O Amb3371772 [0,1,0,0,1,0|1,0,0]=3 1828 B7R0.9 CP(C)(=O)CC(=O)O Amb25197683 [0,1,0,0,1,0|2,0,0]=4 1829 B7R0.9 CS(=O)(=O)CC(=O)O Amb3939888 [0,1,0,0,1,0|1,0,1]=4 1830 B7R0.9 NC(=O)CS(=O)(=O)O Amb28398406 [0,1,0,0,1,0|2,0,0]=4 1831 B7R0.9 NS(=O)(=O)CC(=O)O Amb6741828 [0,1,0,0,1,0|1,0,1]=4 1832 B7R0.9 O=C(O)CP(=O)(O)O Amb4489433 [0,1,0,0,1,0|1,0,0]=3 1833 B7R0.9 O=C(O)CS(=O)(=O)Cl Amb28428457 [0,1,0,0,1,0|1,0,1]=4 1834 B7R0.9 O=C(O)CS(=O)(=O)F Amb26639922 [0,1,0,0,1,0|1,0,1]=4 1835 B7R0.9 O=C(O)CS(=O)(=O)O Amb16232248 [0,1,0,0,1,0|1,0,0]=3 1836 B7R0.9 O=C(O)C[SH](=O)([O-])O Amb27231739 [0,1,0,0,1,0|1,0,0]=3 1837 B7R0.16 C=C(Br)C(N)C(=O)O Amb28193255 [0,1,0,0,1,0|2,0,0]=4 1838 B7R0.16 C=C(C(=O)O)C(=O)Cl Amb28056536 [0,1,0,0,1,0|1,0,1]=4 1839 B7R0.16 C=C(C)C(C)C(=O)O Amb18641781 [0,1,0,0,1,0|2,0,0]=4 1840 B7R0.16 C=C(C)C(N)C(=O)O Amb18641831 [0,1,0,0,1,0|2,0,0]=4 1841 B7R0.16 C=C(C)C(O)C(=O)O Amb27859701 [0,1,0,0,1,0|2,0,0]=4 1842 B7R0.16 C=C(C)[C@@H](N)C(=O)O Amb26012631 [0,1,0,0,1,0|2,0,0]=4 1843 B7R0.16 C=C(C)[C@@H](O)C(=O)O Amb28071409 [0,1,0,0,1,0|2,0,0]=4 1844 B7R0.16 CC(=O)C(=O)C(=O)O Amb24101563 [0,1,0,0,1,0|1,0,1]=4 1845 B7R0.16 CC(=O)C(Br)C(C)=O Amb22000680 [0,1,0,0,1,0|2,0,0]=4 1846 B7R0.16 CC(=O)C(C)C(=O)Cl Amb27971652 [0,1,0,0,1,0|2,0,0]=4 1847 B7R0.16 CC(=O)C(C)C(C)=O Amb1152249 [0,1,0,0,1,0|2,0,0]=4 1848 B7R0.16 CC(=O)C(Cl)C(C)=O Amb3940505 [0,1,0,0,1,0|2,0,0]=4 1849 B7R0.16 CC(=O)C(N)C(=O)O Amb21962887 [0,1,0,0,1,0|1,0,0]=3 1850 B7R0.16 CC(=O)C(N)C(C)=O Amb18632931 [0,1,0,0,1,0|2,0,0]=4 1851 B7R0.16 CC(=O)C(N)C(C)=O Amb6893881 [0,1,0,0,1,0|2,0,0]=4 1852 B7R0.16 CC(=O)C(O)C(C)=O Amb28048968 [0,1,0,0,1,0|2,0,0]=4 1853 B7R0.16 CC(=S)C(S)C(=O)O Amb27791825 [0,1,0,0,1,0|1,1,0]=4 1854 B7R0.16 CC(C(=O)O)C(=O)O Amb6600127 [0,1,0,0,1,0|0,0,0]=2 1855 B7R0.16 CC(C(N)=O)C(=O)O Amb27401562 [0,1,0,0,1,0|1,0,0]=3 1856 B7R0.16 CC(C(N)=O)C(N)=O Amb4034611 [0,1,0,0,1,0|2,0,0]=4 1857 B7R0.16 CC(O)C(Br)C(=O)O Amb17594710 [0,1,0,0,1,0|1,0,1]=4 1858 B7R0.16 CC(O)C(C)C(=O)O Amb17615515 [0,1,0,0,1,0|1,0,1]=4 1859 B7R0.16 CC(O)C(Cl)C(=O)O Amb17593522 [0,1,0,0,1,0|1,0,1]=4 1860 B7R0.16 CC(O)C(F)C(=O)O Amb33544667 [0,1,0,0,1,0|1,0,1]=4 1861 B7R0.16 CC(O)C(N)C(=O)O Amb32665460 [0,1,0,0,1,0|1,0,1]=4 1862 B7R0.16 CC(O)C(N)C(=O)O Amb9703096 [0,1,0,0,1,0|1,0,1]=4 1863 B7R0.16 CC(O)C(O)C(=O)O Amb18124272 [0,1,0,0,1,0|1,0,1]=4 1864 B7R0.16 C[C@@H](O)C(N)C(=O)O Amb26397429 [0,1,0,0,1,0|1,0,1]=4 1865 B7R0.16 C[C@@H](O)[C@@H](Cl)C(=O)O Amb27489415 [0,1,0,0,1,0|1,0,1]=4 1866 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Amb8514159 [0,1,0,0,1,0|1,0,1]=4 1867 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O Amb27812084 [0,1,0,0,1,0|1,0,1]=4 1868 B7R0.16 C[C@@H](O)[C@H](Cl)C(=O)O Amb27188843 [0,1,0,0,1,0|1,0,1]=4 1869 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb22351168 [0,1,0,0,1,0|1,0,1]=4 1870 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb33623705 [0,1,0,0,1,0|1,0,1]=4 1871 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb6599999 [0,1,0,0,1,0|1,0,1]=4 1872 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O Amb10844572 [0,1,0,0,1,0|1,0,1]=4 1873 B7R0.16 C[C@H](O)[C@@H](Br)C(=O)O Amb27476235 [0,1,0,0,1,0|1,0,1]=4 1874 B7R0.16 C[C@H](O)[C@@H](F)C(=O)O Amb27837922 [0,1,0,0,1,0|1,0,1]=4 1875 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Amb6297293 [0,1,0,0,1,0|1,0,1]=4 1876 B7R0.16 C[C@H](O)[C@@H](O)C(=O)O Amb25844932 [0,1,0,0,1,0|1,0,1]=4 1877 B7R0.16 C[C@H](O)[C@H](Br)C(=O)O Amb27409077 [0,1,0,0,1,0|1,0,1]=4 1878 B7R0.16 C[C@H](O)[C@H](C)C(=O)O Amb27440373 [0,1,0,0,1,0|1,0,1]=4 1879 B7R0.16 C[C@H](O)[C@H](Cl)C(=O)O Amb27410667 [0,1,0,0,1,0|1,0,1]=4 1880 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Amb32663639 [0,1,0,0,1,0|1,0,1]=4 1881 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Amb8514158 [0,1,0,0,1,0|1,0,1]=4 1882 B7R0.16 C[C@H](O)[C@H](O)C(=O)O Amb27831803 [0,1,0,0,1,0|1,0,1]=4 1883 B7R0.16 C[PH](=O)C(O)C(=O)O Amb34916646 [0,1,0,0,1,0|2,0,0]=4 1884 B7R0.16 C\C(O)=C(\N)C(=O)O Amb27191761 [0,1,0,0,1,0|1,0,1]=4 1885 B7R0.16 C\C(O)=C(\O)C(=O)O Amb28282804 [0,1,0,0,1,0|1,0,1]=4 1886 B7R0.16 NC(=O)C(Br)C(N)=O Amb23504430 [0,1,0,0,1,0|2,0,0]=4 1887 B7R0.16 NC(=O)C(F)C(N)=O Amb27948525 [0,1,0,0,1,0|2,0,0]=4 1888 B7R0.16 NC(=O)C(N)C(N)=O Amb518675 [0,1,0,0,1,0|2,0,0]=4 1889 B7R0.16 NC(=O)C(O)C(N)=O Amb27212957 [0,1,0,0,1,0|2,0,0]=4 1890 B7R0.16 NC(=O)C([Na])C(N)=O Amb27838298 [0,1,0,0,1,0|2,0,0]=4 1891 B7R0.16 NC(=O)[C@H](N)C(=O)O Amb28397054 [0,1,0,0,1,0|1,0,0]=3 1892 B7R0.16 NC(C(=O)O)C(=O)O Amb10603956 [0,1,0,0,1,0|0,0,0]=2 1893 B7R0.16 N[C@@H](C(=O)O)S(=O)O Amb28125643 [0,1,0,0,1,0|1,0,0]=3 1894 B7R0.16 N[C@H](C(=O)O)C(O)O Amb27867398 [0,1,0,0,1,0|0,0,2]=4 1895 B7R0.16 O=C(Cl)C(Cl)C(=O)Cl Amb27781570 [0,1,0,0,1,0|2,0,0]=4 1896 B7R0.16 O=C(Cl)C(F)C(=O)Cl Amb32456101 [0,1,0,0,1,0|2,0,0]=4 1897 B7R0.16 O=C(O)C(=O)C(=O)O Amb18641943 [0,1,0,0,1,0|0,0,1]=3 1898 B7R0.16 O=C(O)C(Br)C(=O)O Amb17594708 [0,1,0,0,1,0|0,0,0]=2 1899 B7R0.16 O=C(O)C(F)C(=O)O Amb24055884 [0,1,0,0,1,0|0,0,0]=2 1900 B7R0.16 O=C(O)C(O)C(=O)O Amb1215315 [0,1,0,0,1,0|0,0,0]=2 1901 B7R0.16 O=C(O)C(S)C(=O)O Amb28346986 [0,1,0,0,1,0|0,0,0]=2 1902 B9R0.1 C#CC(=O)NOCC(=O)O Amb27399796 [0,1,0,0,0,1|2,0,0]=4 1903 B9R0.1 C#C\C(C)=C\CCC(=O)O Amb27461397 [0,1,0,0,0,1|2,0,0]=4 1904 B9R0.1 C=C(Br)CCCC(=O)OC Amb24717516 [0,1,0,0,0,1|2,0,0]=4 1905 B9R0.1 C=C(C)CCCC(=O)OC Amb25995990 [0,1,0,0,0,1|2,0,0]=4 1906 B9R0.1 C=C(C)CCNC(=O)OC Amb27247131 [0,1,0,0,0,1|2,0,0]=4 1907 B9R0.1 C=C(C)CCOC(=O)CO Amb27976305 [0,1,0,0,0,1|2,0,0]=4 1908 B9R0.1 C=C(C=O)CCCC(C)=O Amb8392635 [0,1,0,0,0,1|2,0,0]=4 1909 B9R0.1 C=C(C=O)CCOC(C)=O Amb18643822 [0,1,0,0,0,1|2,0,0]=4 1910 B9R0.1 C=C(CC)CNCC(=O)O Amb27661467 [0,1,0,0,0,1|2,0,0]=4 1911 B9R0.1 C=C(CO)CCOC(C)=O Amb28322751 [0,1,0,0,0,1|2,0,0]=4 1912 B9R0.1 C=CC(=O)CCCC(=O)O Amb27770363 [0,1,0,0,0,1|1,0,0]=3 1913 B9R0.1 C=CC(=O)CCCC(C)=O Amb27409542 [0,1,0,0,0,1|2,0,0]=4 1914 B9R0.1 C=CC(=O)NCCC(=O)O Amb6257105 [0,1,0,0,0,1|1,0,0]=3 1915 B9R0.1 C=CC(=O)NCCC(=O)[O-] Amb20668483 [0,1,0,0,0,1|1,0,1]=4 1916 B9R0.1 C=CC(=O)NCCC(N)=O Amb9481014 [0,1,0,0,0,1|2,0,0]=4 1917 B9R0.1 C=CC(=O)OCCC(=O)O Amb18644058 [0,1,0,0,0,1|1,0,0]=3 1918 B9R0.1 CC(=O)CCCC(=O)NO Amb27980256 [0,1,0,0,0,1|1,0,0]=3 1919 B9R0.1 CC(=O)CCC\C(C)=N\O Amb28434847 [0,1,0,0,0,1|2,0,0]=4 1920 B9R0.1 CC(=O)CC\C=C(/C)C=O Amb18124577 [0,1,0,0,0,1|2,0,0]=4 1921 B9R0.1 CC(=O)CC\C=C(\C)C=O Amb27195922 [0,1,0,0,0,1|2,0,0]=4 1922 B9R0.1 CC(=O)NCNC(=O)CO Amb27243935 [0,1,0,0,0,1|2,0,0]=4 1923 B9R0.1 CC(=O)SCCC(=O)CCl Amb24436675 [0,1,0,0,0,1|2,0,0]=4 1924 B9R0.1 CC(C=O)CCCC(=O)O Amb27173621 [0,1,0,0,0,1|1,0,1]=4 1925 B9R0.1 CC(CO)CNCC(=O)O Amb28246419 [0,1,0,0,0,1|1,0,1]=4 1926 B9R0.1 CC(CO)COCC(=O)O Amb28280816 [0,1,0,0,0,1|1,0,1]=4 1927 B9R0.1 CC(CO)CSCC(=O)O Amb28365901 [0,1,0,0,0,1|1,0,1]=4 1928 B9R0.1 CCC(=O)NCCC(=O)O Amb1120326 [0,1,0,0,0,1|1,0,0]=3 1929 B9R0.1 CCC(=O)NCCC(C)=O Amb17102869 [0,1,0,0,0,1|2,0,0]=4 1930 B9R0.1 CCC(=O)NCCC(N)=O Amb17231982 [0,1,0,0,0,1|2,0,0]=4 1931 B9R0.1 CCC(=O)OCCC(=O)O Amb26597385 [0,1,0,0,0,1|1,0,0]=3 1932 B9R0.1 CCC(=O)SCCC(=O)O Amb27657281 [0,1,0,0,0,1|1,0,0]=3 1933 B9R0.1 CCC(O)CCCC(=O)O Amb18644263 [0,1,0,0,0,1|1,0,1]=4 1934 B9R0.1 CCC(O)CSCC(=O)O Amb18792573 [0,1,0,0,0,1|1,0,1]=4 1935 B9R0.1 CCN(O)CCCC(=O)O Amb27630754 [0,1,0,0,0,1|2,0,0]=4 1936 B9R0.1 CC\C(C)=C\CCC(=O)O Amb27474810 [0,1,0,0,0,1|2,0,0]=4 1937 B9R0.1 CN(CCCC(=O)O)N=O Amb17618588 [0,1,0,0,0,1|2,0,0]=4 1938 B9R0.1 CNC(=N)NCCC(=O)O Amb26014274 [0,1,0,0,0,1|2,0,0]=4 1939 B9R0.1 CNC(=O)CCCC(=O)[O-] Amb24271120 [0,1,0,0,0,1|1,0,1]=4 1940 B9R0.1 CNC(=O)CNCC(=O)O Amb8943036 [0,1,0,0,0,1|1,0,0]=3 1941 B9R0.1 CNC(=O)CNCC(C)=O Amb27789643 [0,1,0,0,0,1|2,0,0]=4 1942 B9R0.1 CNC(=O)COCC(=O)O Amb17232024 [0,1,0,0,0,1|1,0,0]=3 1943 B9R0.1 CNC(=O)CSCC(=O)O Amb6251930 [0,1,0,0,0,1|1,0,0]=3 1944 B9R0.1 CNC(=O)CSCC(N)=O Amb27170981 [0,1,0,0,0,1|2,0,0]=4 1945 B9R0.1 CNC(=O)NCCC(=O)O Amb1127025 [0,1,0,0,0,1|1,0,0]=3 1946 B9R0.1 CNC(=O)NOCC(=O)O Amb27970392 [0,1,0,0,0,1|2,0,0]=4 1947 B9R0.1 COC(=O)CCCB(O)O Amb25676456 [0,1,0,0,0,1|1,0,1]=4 1948 B9R0.1 COC(=O)CCCC(=O)Cl Amb3939328 [0,1,0,0,0,1|1,0,0]=3 1949 B9R0.1 COC(=O)CCCC(=O)O Amb2720900 [0,1,0,0,0,1|0,0,0]=2 1950 B9R0.1 COC(=O)CCCC(=O)[O-] Amb33948529 [0,1,0,0,0,1|0,0,1]=3 1951 B9R0.1 COC(=O)CCCC(C)=O Amb17846860 [0,1,0,0,0,1|1,0,0]=3 1952 B9R0.1 COC(=O)CCCC(C)O Amb24414468 [0,1,0,0,0,1|1,0,1]=4 1953 B9R0.1 COC(=O)CCCC(N)=O Amb27882411 [0,1,0,0,0,1|1,0,0]=3 1954 B9R0.1 COC(=O)CCCC(N)=S Amb25360938 [0,1,0,0,0,1|1,1,0]=4 1955 B9R0.1 COC(=O)CCCS(=O)Cl Amb26409514 [0,1,0,0,0,1|2,0,0]=4 1956 B9R0.1 COC(=O)CCCS(=O)[O-] Amb25914636 [0,1,0,0,0,1|1,0,1]=4 1957 B9R0.1 COC(=O)CCCS(C)=O Amb18788307 [0,1,0,0,0,1|2,0,0]=4 1958 B9R0.1 COC(=O)CCCS(N)=O Amb32720319 [0,1,0,0,0,1|2,0,0]=4 1959 B9R0.1 COC(=O)CCC[C@H](C)O Amb27839593 [0,1,0,0,0,1|1,0,1]=4 1960 B9R0.1 COC(=O)CCC[N+](=O)[O-] Amb1073683 [0,1,0,0,0,1|1,0,1]=4 1961 B9R0.1 COC(=O)CCNC(C)=O Amb15691935 [0,1,0,0,0,1|1,0,0]=3 1962 B9R0.1 COC(=O)CCNC(N)=O Amb22740124 [0,1,0,0,0,1|1,0,0]=3 1963 B9R0.1 COC(=O)CCOC(C)=O Amb27972208 [0,1,0,0,0,1|1,0,0]=3 1964 B9R0.1 COC(=O)CCO[N+](=O)[O-] Amb27424870 [0,1,0,0,0,1|1,0,1]=4 1965 B9R0.1 COC(=O)CCSC(=O)Cl Amb26446360 [0,1,0,0,0,1|1,0,0]=3 1966 B9R0.1 COC(=O)CCSC(N)=O Amb28254662 [0,1,0,0,0,1|1,0,0]=3 1967 B9R0.1 COC(=O)CC\N=C(/C)N Amb27826068 [0,1,0,0,0,1|2,0,0]=4 1968 B9R0.1 COC(=O)CNCC(=O)O Amb7766422 [0,1,0,0,0,1|0,0,0]=2 1969 B9R0.1 COC(=O)CNCC(C)O Amb9247006 [0,1,0,0,0,1|1,0,1]=4 1970 B9R0.1 COC(=O)COCC(=O)O Amb25305044 [0,1,0,0,0,1|0,0,0]=2 1971 B9R0.1 COC(=O)COCC(C)=O Amb8392403 [0,1,0,0,0,1|1,0,0]=3 1972 B9R0.1 COC(=O)CSCC(=O)O Amb33532171 [0,1,0,0,0,1|0,0,0]=2 1973 B9R0.1 COC(=O)CSCC(C)=O Amb2444691 [0,1,0,0,0,1|1,0,0]=3 1974 B9R0.1 COC(=O)CSCC(C)O Amb18792574 [0,1,0,0,0,1|1,0,1]=4 1975 B9R0.1 COC(=O)C\C=C\C(C)=O Amb25205440 [0,1,0,0,0,1|1,0,1]=4 1976 B9R0.1 COC(=O)C\N=C\C(C)=O Amb28052024 [0,1,0,0,0,1|1,0,1]=4 1977 B9R0.1 COC(=O)NCCC(=O)O Amb6468177 [0,1,0,0,0,1|0,0,0]=2 1978 B9R0.1 COC(=O)NCC[C@H](C)O Amb27663109 [0,1,0,0,0,1|1,0,1]=4 1979 B9R0.1 COC(=O)N\N=C\C(=O)O Amb24427251 [0,1,0,0,0,1|1,0,1]=4 1980 B9R0.1 COC(=O)OCCC(C)=O Amb28049880 [0,1,0,0,0,1|1,0,0]=3 1981 B9R0.1 COC(=S)NCCC(N)=O Amb28126714 [0,1,0,0,0,1|1,1,0]=4 1982 B9R0.1 COC(=S)SCCC(=O)O Amb27983821 [0,1,0,0,0,1|0,1,0]=3 1983 B9R0.1 CON(C)CCCC(=O)O Amb28126925 [0,1,0,0,0,1|2,0,0]=4 1984 B9R0.1 CSC(=N)NCCC(=O)O Amb28193743 [0,1,0,0,0,1|1,1,0]=4 1985 B9R0.1 C\C(CCCC(=O)O)=N/O Amb27779283 [0,1,0,0,0,1|1,0,0]=3 1986 B9R0.1 N=C(CN)NCCC(=O)O Amb28346899 [0,1,0,0,0,1|2,0,0]=4 1987 B9R0.1 NC(=O)CCNC(=O)CBr Amb27786158 [0,1,0,0,0,1|2,0,0]=4 1988 B9R0.1 NC(=O)CCNC(=O)CCl Amb9415901 [0,1,0,0,0,1|2,0,0]=4 1989 B9R0.1 NC(=O)CCNC(=O)CS Amb27981235 [0,1,0,0,0,1|1,1,0]=4 1990 B9R0.1 NC(=O)CCOC(=O)CO Amb28136694 [0,1,0,0,0,1|1,0,0]=3 1991 B9R0.1 NC(=O)CNC\C(N)=N\O Amb27949308 [0,1,0,0,0,1|2,0,0]=4 1992 B9R0.1 NC(=O)CSCC(=O)NO Amb27764593 [0,1,0,0,0,1|1,0,0]=3 1993 B9R0.1 NC(CO)CCCC(=O)O Amb25889148 [0,1,0,0,0,1|1,0,1]=4 1994 B9R0.1 NCC(=O)CCCC(=O)O Amb22035333 [0,1,0,0,0,1|1,0,0]=3 1995 B9R0.1 NCC(=O)CNCC(=O)O Amb27979091 [0,1,0,0,0,1|1,0,0]=3 1996 B9R0.1 NCC(=O)NCCC(=O)O Amb4018061 [0,1,0,0,0,1|1,0,0]=3 1997 B9R0.1 NCC(=O)ONCC(=O)O Amb27625948 [0,1,0,0,0,1|2,0,0]=4 1998 B9R0.1 N[C@H](CO)CCCC(=O)O Amb27751891 [0,1,0,0,0,1|1,0,1]=4 1999 B9R0.1 N\C(CNCC(=O)O)=N/O Amb27881601 [0,1,0,0,0,1|1,0,0]=3 2000 B9R0.1 N\N=C(/N)NCCC(=O)O Amb24682101 [0,1,0,0,0,1|2,0,0]=4 2001 B9R0.1 O=C(O)CCCC(=O)CO Amb27493969 [0,1,0,0,0,1|0,0,0]=2 2002 B9R0.1 O=C(O)CCCC(=O)NO Amb27494720 [0,1,0,0,0,1|0,0,0]=2 2003 B9R0.1 O=C(O)CCNC(=O)CBr Amb17609911 [0,1,0,0,0,1|1,0,0]=3 2004 B9R0.1 O=C(O)CCNC(=O)CCl Amb2781692 [0,1,0,0,0,1|1,0,0]=3 2005 B9R0.1 O=C(O)CCNC(=O)CO Amb24478846 [0,1,0,0,0,1|0,0,0]=2 2006 B9R0.1 O=C(O)CCS\C(Cl)=C\Cl Amb27797305 [0,1,0,0,0,1|2,0,0]=4 2007 B9R0.1 O=C(O)CSCC(O)CCl Amb27858669 [0,1,0,0,0,1|1,0,1]=4 2008 B9R0.1 O=CN(O)CCCC(=O)O Amb25320259 [0,1,0,0,0,1|1,0,0]=3 2009 B9R0.7 C=C(Br)CNC(C)C(=O)O Amb18303282 [0,1,0,0,0,1|2,0,0]=4 2010 B9R0.7 C=C(Br)CN[C@@H](C)C(=O)O Amb27174841 [0,1,0,0,0,1|2,0,0]=4 2011 B9R0.7 C=C(C)C(C)CCC(=O)O Amb27254117 [0,1,0,0,0,1|2,0,0]=4 2012 B9R0.7 C=C(C)C(N)CCC(=O)O Amb33199957 [0,1,0,0,0,1|2,0,0]=4 2013 B9R0.7 C=C(C)CCC(=C)C(=O)O Amb28047421 [0,1,0,0,0,1|2,0,0]=4 2014 B9R0.7 C=C(C)CCC(C)C(=O)O Amb25809141 [0,1,0,0,0,1|2,0,0]=4 2015 B9R0.7 C=C(C)CCC(N)C(=O)O Amb28121242 [0,1,0,0,0,1|2,0,0]=4 2016 B9R0.7 C=C(C)CCC(O)C(=O)O Amb27436256 [0,1,0,0,0,1|2,0,0]=4 2017 B9R0.7 C=C(C)CC[C@@H](N)C(=O)O Amb25775219 [0,1,0,0,0,1|2,0,0]=4 2018 B9R0.7 C=C(C)CC[C@H](N)C(=O)O Amb25948355 [0,1,0,0,0,1|2,0,0]=4 2019 B9R0.7 C=C(C)CSC(C)C(=O)O Amb6263518 [0,1,0,0,0,1|2,0,0]=4 2020 B9R0.7 C=C(CCC(=O)O)C(=O)O Amb8391367 [0,1,0,0,0,1|0,0,0]=2 2021 B9R0.7 C=C(CCC(=O)O)C(C)=O Amb27814984 [0,1,0,0,0,1|1,0,0]=3 2022 B9R0.7 C=C(CCC(C)=O)C(C)=O Amb25303019 [0,1,0,0,0,1|2,0,0]=4 2023 B9R0.7 C=C(Cl)CCC(N)C(=O)O Amb27424777 [0,1,0,0,0,1|2,0,0]=4 2024 B9R0.7 C=C(F)C(N)CCC(=O)O Amb27849938 [0,1,0,0,0,1|2,0,0]=4 2025 B9R0.7 CC(=C=CC(=O)O)C(=O)O Amb17593578 [0,1,0,0,0,1|0,0,2]=4 2026 B9R0.7 CC(=N)N(C)CCC(=O)O Amb27242469 [0,1,0,0,0,1|2,0,0]=4 2027 B9R0.7 CC(=O)C(=O)NCC(=O)O Amb17593639 [0,1,0,0,0,1|1,0,1]=4 2028 B9R0.7 CC(=O)C(=O)OCC(=O)O Amb28126708 [0,1,0,0,0,1|1,0,1]=4 2029 B9R0.7 CC(=O)C(C)CCC(=O)O Amb4020917 [0,1,0,0,0,1|1,0,0]=3 2030 B9R0.7 CC(=O)C(C)CCC(N)=O Amb25843826 [0,1,0,0,0,1|2,0,0]=4 2031 B9R0.7 CC(=O)C(C)SCC(N)=O Amb28206699 [0,1,0,0,0,1|2,0,0]=4 2032 B9R0.7 CC(=O)C(F)CCC(=O)O Amb27620074 [0,1,0,0,0,1|1,0,0]=3 2033 B9R0.7 CC(=O)C(N)CCC(=O)O Amb27875288 [0,1,0,0,0,1|1,0,0]=3 2034 B9R0.7 CC(=O)C(O)CCC(=O)O Amb27826305 [0,1,0,0,0,1|1,0,0]=3 2035 B9R0.7 CC(=O)CCC(=O)C(C)=O Amb25852390 [0,1,0,0,0,1|2,0,0]=4 2036 B9R0.7 CC(=O)CCC(Cl)C(C)=O Amb27444965 [0,1,0,0,0,1|2,0,0]=4 2037 B9R0.7 CC(=O)CCC(N)C(=O)O Amb20669473 [0,1,0,0,0,1|1,0,0]=3 2038 B9R0.7 CC(=O)CCC(N)C(=O)O Amb22157242 [0,1,0,0,0,1|1,0,0]=3 2039 B9R0.7 CC(=O)CCC(N)C(N)=O Amb26649117 [0,1,0,0,0,1|2,0,0]=4 2040 B9R0.7 CC(=O)CC[C@@H](N)C(=O)O Amb26516732 [0,1,0,0,0,1|1,0,0]=3 2041 B9R0.7 CC(=O)CC[C@H](N)C(=O)O Amb25147501 [0,1,0,0,0,1|1,0,0]=3 2042 B9R0.7 CC(=O)CNC(=O)C(=O)O Amb24480846 [0,1,0,0,0,1|1,0,1]=4 2043 B9R0.7 CC(=O)CSC(C)C(=O)O Amb17501621 [0,1,0,0,0,1|1,0,0]=3 2044 B9R0.7 CC(=O)CSC(C)C(N)=O Amb27949123 [0,1,0,0,0,1|2,0,0]=4 2045 B9R0.7 CC(=O)N(C)CCC(=O)O Amb2691290 [0,1,0,0,0,1|1,0,0]=3 2046 B9R0.7 CC(=O)N(O)CCC(=O)O Amb28050128 [0,1,0,0,0,1|1,0,0]=3 2047 B9R0.7 CC(=O)NCC(N)C(=O)O Amb26046380 [0,1,0,0,0,1|1,0,0]=3 2048 B9R0.7 CC(=O)NC[C@H](C)C(=O)O Amb27472985 [0,1,0,0,0,1|1,0,0]=3 2049 B9R0.7 CC(=O)OCC(C)C(=O)O Amb28050166 [0,1,0,0,0,1|1,0,0]=3 2050 B9R0.7 CC(=O)OCC(C)C(C)=O Amb27471984 [0,1,0,0,0,1|2,0,0]=4 2051 B9R0.7 CC(=O)OCC(N)C(=O)O Amb17593668 [0,1,0,0,0,1|1,0,0]=3 2052 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O Amb2699176 [0,1,0,0,0,1|1,0,0]=3 2053 B9R0.7 CC(=O)OC[C@@H]([NH3+])C(=O)O Amb3499386 [0,1,0,0,0,1|1,0,0]=3 2054 B9R0.7 CC(=O)OC[C@H](C)C(=O)O Amb28340504 [0,1,0,0,0,1|1,0,0]=3 2055 B9R0.7 CC(=O)OC[C@H](C)C(C)=O Amb28049898 [0,1,0,0,0,1|2,0,0]=4 2056 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb2778750 [0,1,0,0,0,1|1,0,0]=3 2057 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb33757552 [0,1,0,0,0,1|1,0,0]=3 2058 B9R0.7 CC(=O)ONC(C)C(=O)O Amb27765574 [0,1,0,0,0,1|2,0,0]=4 2059 B9R0.7 CC(=O)SCC(C)C(=O)O Amb2732386 [0,1,0,0,0,1|1,0,0]=3 2060 B9R0.7 CC(=O)SCC(C)C(N)=O Amb22586594 [0,1,0,0,0,1|2,0,0]=4 2061 B9R0.7 CC(=O)SCC(Cl)C(=O)Cl Amb28247162 [0,1,0,0,0,1|2,0,0]=4 2062 B9R0.7 CC(=O)SCC(N)C(=O)O Amb22490452 [0,1,0,0,0,1|1,0,0]=3 2063 B9R0.7 CC(=O)SCC(O)C(=O)O Amb31030973 [0,1,0,0,0,1|1,0,0]=3 2064 B9R0.7 CC(=O)SC[C@@H](C)C(=O)Cl Amb26641827 [0,1,0,0,0,1|2,0,0]=4 2065 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O Amb8628177 [0,1,0,0,0,1|1,0,0]=3 2066 B9R0.7 CC(=O)SC[C@H](C)C(=O)Cl Amb25230202 [0,1,0,0,0,1|2,0,0]=4 2067 B9R0.7 CC(=O)[C@H](C)CCC(=O)O Amb24671283 [0,1,0,0,0,1|1,0,0]=3 2068 B9R0.7 CC(C)=CCC(C)C(=O)O Amb18643879 [0,1,0,0,0,1|2,0,0]=4 2069 B9R0.7 CC(C)=CCC(N)C(=O)O Amb6276273 [0,1,0,0,0,1|2,0,0]=4 2070 B9R0.7 CC(C)=CC[C@@H](N)C(=O)O Amb27254062 [0,1,0,0,0,1|2,0,0]=4 2071 B9R0.7 CC(C)=CC[C@H](N)C(=O)O Amb25836895 [0,1,0,0,0,1|2,0,0]=4 2072 B9R0.7 CC(CCC(=O)O)C(=O)O Amb6296609 [0,1,0,0,0,1|0,0,0]=2 2073 B9R0.7 CC(CCS(C)=O)C(=O)O Amb27237254 [0,1,0,0,0,1|2,0,0]=4 2074 B9R0.7 CC(CC[N+](=O)[O-])C(=O)O Amb27425087 [0,1,0,0,0,1|1,0,1]=4 2075 B9R0.7 CC(CNC(=N)N)C(=O)O Amb28050103 [0,1,0,0,0,1|2,0,0]=4 2076 B9R0.7 CC(CNC(N)=O)C(=O)O Amb18298054 [0,1,0,0,0,1|1,0,0]=3 2077 B9R0.7 CC(CSC(=N)N)C(=O)O Amb27392409 [0,1,0,0,0,1|2,0,0]=4 2078 B9R0.7 CC(NCC(=O)O)C(=O)O Amb26506272 [0,1,0,0,0,1|0,0,0]=2 2079 B9R0.7 CC(NCC(=O)O)C(=O)O Amb3427836 [0,1,0,0,0,1|0,0,0]=2 2080 B9R0.7 CC(NCC(=O)O)C(N)=O Amb9285399 [0,1,0,0,0,1|1,0,0]=3 2081 B9R0.7 CC(NC[C@@H](C)O)C(=O)O Amb27617222 [0,1,0,0,0,1|1,0,1]=4 2082 B9R0.7 CC(NC[C@H](C)O)C(=O)O Amb27248684 [0,1,0,0,0,1|1,0,1]=4 2083 B9R0.7 CC(NNC(N)=O)C(=O)O Amb26391983 [0,1,0,0,0,1|2,0,0]=4 2084 B9R0.7 CC(O)C(C)CCC(=O)O Amb27424805 [0,1,0,0,0,1|1,0,1]=4 2085 B9R0.7 CC(O)C(C)NCC(=O)O Amb27444950 [0,1,0,0,0,1|1,0,1]=4 2086 B9R0.7 CC(O)CCC(=O)C(=O)O Amb27799217 [0,1,0,0,0,1|1,0,1]=4 2087 B9R0.7 CC(O)CCC(N)C(=O)O Amb26598749 [0,1,0,0,0,1|1,0,1]=4 2088 B9R0.7 CC(O)CC[C@@H](N)C(=O)O Amb28126862 [0,1,0,0,0,1|1,0,1]=4 2089 B9R0.7 CC(O)CC[C@H](N)C(=O)O Amb26346481 [0,1,0,0,0,1|1,0,1]=4 2090 B9R0.7 CC(O)CNC(C)C(=O)O Amb18523859 [0,1,0,0,0,1|1,0,1]=4 2091 B9R0.7 CC(O)CN[C@H](C)C(=O)O Amb28246243 [0,1,0,0,0,1|1,0,1]=4 2092 B9R0.7 CC(O)CO[C@@H](C)C(=O)O Amb27273395 [0,1,0,0,0,1|1,0,1]=4 2093 B9R0.7 CC(O)NC[C@H](N)C(=O)O Amb24575047 [0,1,0,0,0,1|1,0,1]=4 2094 B9R0.7 CC(O)OC[C@@H](N)C(=O)O Amb28348403 [0,1,0,0,0,1|1,0,1]=4 2095 B9R0.7 CC(SCC(=O)O)C(=O)O Amb2431034 [0,1,0,0,0,1|0,0,0]=2 2096 B9R0.7 CC(SCC(N)=O)C(N)=O Amb27184474 [0,1,0,0,0,1|2,0,0]=4 2097 B9R0.7 CN(CCC(=O)O)C(=N)N Amb27389762 [0,1,0,0,0,1|2,0,0]=4 2098 B9R0.7 CN(CCC(=O)O)C(N)=O Amb18984979 [0,1,0,0,0,1|1,0,0]=3 2099 B9R0.7 CN(CCC(=O)O)[N+](=O)[O-] Amb23481534 [0,1,0,0,0,1|1,0,1]=4 2100 B9R0.7 CN(CCC(N)=O)C(N)=O Amb28316022 [0,1,0,0,0,1|2,0,0]=4 2101 B9R0.7 CN(O)C(=O)CCC(=O)O Amb27460547 [0,1,0,0,0,1|2,0,0]=4 2102 B9R0.7 CN(O)CC[C@H](N)C(=O)O Amb27640254 [0,1,0,0,0,1|2,0,0]=4 2103 B9R0.7 CS(=O)CCC(N)C(=O)O Amb6336322 [0,1,0,0,0,1|2,0,0]=4 2104 B9R0.7 CS(=O)CCC(O)C(=O)O Amb28118981 [0,1,0,0,0,1|2,0,0]=4 2105 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O Amb19133021 [0,1,0,0,0,1|2,0,0]=4 2106 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Amb6600089 [0,1,0,0,0,1|2,0,0]=4 2107 B9R0.7 CS(=O)NCC(N)C(=O)O Amb28122995 [0,1,0,0,0,1|2,0,0]=4 2108 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O Amb22799543 [0,1,0,0,0,1|0,0,0]=2 2109 B9R0.7 C[C@@H](CC[N+](=O)[O-])C(=O)O Amb24330210 [0,1,0,0,0,1|1,0,1]=4 2110 B9R0.7 C[C@@H](CNC(N)=O)C(=O)O Amb10844047 [0,1,0,0,0,1|1,0,0]=3 2111 B9R0.7 C[C@@H](NCC(=O)O)C(=O)O Amb22748947 [0,1,0,0,0,1|0,0,0]=2 2112 B9R0.7 C[C@@H](O)[C@H](O)CCC(=O)O Amb27628876 [0,1,0,0,0,1|1,0,1]=4 2113 B9R0.7 C[C@H](CCC(=O)O)C(=O)O Amb22225175 [0,1,0,0,0,1|0,0,0]=2 2114 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O Amb13883662 [0,1,0,0,0,1|1,0,1]=4 2115 B9R0.7 C[C@H](CNC(N)=O)C(=O)O Amb27235917 [0,1,0,0,0,1|1,0,0]=3 2116 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb25133540 [0,1,0,0,0,1|0,0,0]=2 2117 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb33803333 [0,1,0,0,0,1|0,0,0]=2 2118 B9R0.7 C[C@H](NCC(=O)O)C(N)=O Amb27771293 [0,1,0,0,0,1|1,0,0]=3 2119 B9R0.7 C[C@H](O)[C@H](N)CCC(=O)O Amb27217393 [0,1,0,0,0,1|1,0,1]=4 2120 B9R0.7 C\C(=C/CC(=O)O)C(=O)O Amb27214024 [0,1,0,0,0,1|0,0,1]=3 2121 B9R0.7 C\C(=C\CC(=O)O)C(=O)O Amb25960751 [0,1,0,0,0,1|0,0,1]=3 2122 B9R0.7 C\C(=N/CC(=O)O)C(=O)O Amb27759453 [0,1,0,0,0,1|0,0,1]=3 2123 B9R0.7 C\C(Cl)=C/CC(Cl)C(=O)O Amb27212547 [0,1,0,0,0,1|2,0,0]=4 2124 B9R0.7 C\C(Cl)=C\CC(Cl)C(=O)O Amb17594711 [0,1,0,0,0,1|2,0,0]=4 2125 B9R0.7 C\C(F)=C/C[C@H](N)C(=O)O Amb27205690 [0,1,0,0,0,1|2,0,0]=4 2126 B9R0.7 N=C(N)CCC(N)C(=O)O Amb28185146 [0,1,0,0,0,1|2,0,0]=4 2127 B9R0.7 N=C(N)NCC(N)C(=O)O Amb22169574 [0,1,0,0,0,1|2,0,0]=4 2128 B9R0.7 N=C(N)NCC(N)C(=O)O Amb9871390 [0,1,0,0,0,1|2,0,0]=4 2129 B9R0.7 N=C(N)NCC(O)C(=O)O Amb27229727 [0,1,0,0,0,1|2,0,0]=4 2130 B9R0.7 N=C(N)NC[C@@H](N)C(=O)O Amb28058768 [0,1,0,0,0,1|2,0,0]=4 2131 B9R0.7 N=C(N)NC[C@@H](N)C(=O)O Amb31292962 [0,1,0,0,0,1|2,0,0]=4 2132 B9R0.7 N=C(N)NC[C@H](N)C(=O)O Amb27230623 [0,1,0,0,0,1|2,0,0]=4 2133 B9R0.7 NC(=O)C(=O)NCC(=O)O Amb28050058 [0,1,0,0,0,1|1,0,1]=4 2134 B9R0.7 NC(=O)C(N)CCC(=O)O Amb18644256 [0,1,0,0,0,1|1,0,0]=3 2135 B9R0.7 NC(=O)CCC(=O)C(=O)O Amb26369364 [0,1,0,0,0,1|1,0,0]=3 2136 B9R0.7 NC(=O)CCC(Br)C(=O)O Amb27828829 [0,1,0,0,0,1|1,0,0]=3 2137 B9R0.7 NC(=O)CCC(N)C(=O)Cl Amb27793490 [0,1,0,0,0,1|2,0,0]=4 2138 B9R0.7 NC(=O)CCC(N)C(=O)O Amb9702792 [0,1,0,0,0,1|1,0,0]=3 2139 B9R0.7 NC(=O)CCC(N)C(N)=O Amb27175153 [0,1,0,0,0,1|2,0,0]=4 2140 B9R0.7 NC(=O)CCC(O)C(N)=O Amb28289307 [0,1,0,0,0,1|2,0,0]=4 2141 B9R0.7 NC(=O)CC[C@@H](Br)C(=O)O Amb28049993 [0,1,0,0,0,1|1,0,0]=3 2142 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Amb2688618 [0,1,0,0,0,1|1,0,0]=3 2143 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb22748708 [0,1,0,0,0,1|2,0,0]=4 2144 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb25996678 [0,1,0,0,0,1|2,0,0]=4 2145 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Amb6600045 [0,1,0,0,0,1|1,0,0]=3 2146 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb24426852 [0,1,0,0,0,1|2,0,0]=4 2147 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb33774694 [0,1,0,0,0,1|2,0,0]=4 2148 B9R0.7 NC(=O)CNC(=O)C(=O)O Amb9303805 [0,1,0,0,0,1|1,0,1]=4 2149 B9R0.7 NC(=O)NCC(F)C(=O)O Amb17610485 [0,1,0,0,0,1|1,0,0]=3 2150 B9R0.7 NC(=O)NCC(N)C(=O)O Amb4037018 [0,1,0,0,0,1|1,0,0]=3 2151 B9R0.7 NC(=O)NCC(N)C(N)=O Amb27646620 [0,1,0,0,0,1|2,0,0]=4 2152 B9R0.7 NC(=O)NCC(O)C(=O)O Amb27464106 [0,1,0,0,0,1|1,0,0]=3 2153 B9R0.7 NC(=O)NCC(O)C(N)=O Amb28384014 [0,1,0,0,0,1|2,0,0]=4 2154 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O Amb10068479 [0,1,0,0,0,1|1,0,0]=3 2155 B9R0.7 NC(=O)NC[C@H](N)C(=O)O Amb6298794 [0,1,0,0,0,1|1,0,0]=3 2156 B9R0.7 NC(=O)OCC(N)C(=O)O Amb26968173 [0,1,0,0,0,1|1,0,0]=3 2157 B9R0.7 NC(=O)OC[C@H](N)C(=O)O Amb28126945 [0,1,0,0,0,1|1,0,0]=3 2158 B9R0.7 NC(=O)SCC(N)C(=O)O Amb3993051 [0,1,0,0,0,1|1,0,0]=3 2159 B9R0.7 NC(=O)SC[C@@H](N)C(=O)O Amb10072293 [0,1,0,0,0,1|1,0,0]=3 2160 B9R0.7 NC(=O)SC[C@H](N)C(=O)O Amb22735296 [0,1,0,0,0,1|1,0,0]=3 2161 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O Amb22745051 [0,1,0,0,0,1|1,0,0]=3 2162 B9R0.7 NC(=O)[C@H](N)CCC(=O)O Amb24557281 [0,1,0,0,0,1|1,0,0]=3 2163 B9R0.7 NC(=S)CCC(N)C(=O)O Amb27448533 [0,1,0,0,0,1|1,1,0]=4 2164 B9R0.7 NC(=S)CC[C@H](N)C(=O)O Amb27640783 [0,1,0,0,0,1|1,1,0]=4 2165 B9R0.7 NC(CC=C(Cl)Cl)C(=O)O Amb28239821 [0,1,0,0,0,1|2,0,0]=4 2166 B9R0.7 NC(CCB(O)O)C(=O)O Amb22497480 [0,1,0,0,0,1|1,0,1]=4 2167 B9R0.7 NC(CCC(=O)Cl)C(=O)O Amb27816376 [0,1,0,0,0,1|1,0,0]=3 2168 B9R0.7 NC(CCC(=O)O)B(O)O Amb26983348 [0,1,0,0,0,1|1,0,1]=4 2169 B9R0.7 NC(CCC(=O)O)C(=O)O Amb8395158 [0,1,0,0,0,1|0,0,0]=2 2170 B9R0.7 NC(CCC(=O)O)C(=O)O Amb9703098 [0,1,0,0,0,1|0,0,0]=2 2171 B9R0.7 NC(CCC(=O)O)C(=O)[O-] Amb4014785 [0,1,0,0,0,1|0,0,1]=3 2172 B9R0.7 NC(CC[N+](=O)[O-])C(=O)O Amb27221965 [0,1,0,0,0,1|1,0,1]=4 2173 B9R0.7 NC(CN[N+](=O)[O-])C(=O)O Amb27857570 [0,1,0,0,0,1|1,0,1]=4 2174 B9R0.7 NC(CSC(=O)O)C(=O)O Amb27491502 [0,1,0,0,0,1|0,0,0]=2 2175 B9R0.7 N[C@@H](CC=C(Cl)Cl)C(=O)O Amb29866596 [0,1,0,0,0,1|2,0,0]=4 2176 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb34915082 [0,1,0,0,0,1|0,0,0]=2 2177 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb3940322 [0,1,0,0,0,1|0,0,0]=2 2178 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb8513626 [0,1,0,0,0,1|0,0,0]=2 2179 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] Amb22745619 [0,1,0,0,0,1|0,0,1]=3 2180 B9R0.7 N[C@@H](CCC(O)=S)C(=O)O Amb24480492 [0,1,0,0,0,1|0,1,0]=3 2181 B9R0.7 N[C@@H](CCS(=O)O)C(=O)O Amb25972325 [0,1,0,0,0,1|1,0,0]=3 2182 B9R0.7 N[C@@H](CC[PH](=O)O)C(=O)O Amb22904307 [0,1,0,0,0,1|1,0,0]=3 2183 B9R0.7 N[C@@H](CO[N+](=O)[O-])C(=O)O Amb27793180 [0,1,0,0,0,1|1,0,1]=4 2184 B9R0.7 N[C@@H](CSC(=O)O)C(=O)O Amb27666945 [0,1,0,0,0,1|0,0,0]=2 2185 B9R0.7 N[C@H](CC=C(Cl)Cl)C(=O)O Amb29866643 [0,1,0,0,0,1|2,0,0]=4 2186 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Amb2720565 [0,1,0,0,0,1|0,0,0]=2 2187 B9R0.7 O=C(Cl)SCC(=O)C(=O)O Amb33070040 [0,1,0,0,0,1|1,0,1]=4 2188 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb1154117 [0,1,0,0,0,1|0,0,0]=2 2189 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb16232496 [0,1,0,0,0,1|0,0,0]=2 2190 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb22746233 [0,1,0,0,0,1|0,0,0]=2 2191 B9R0.7 O=C(O)CCC(=O)C(O)O Amb28429041 [0,1,0,0,0,1|0,0,2]=4 2192 B9R0.7 O=C(O)CCC(Br)C(=O)O Amb26568399 [0,1,0,0,0,1|0,0,0]=2 2193 B9R0.7 O=C(O)CCC(Cl)=C(Cl)Cl Amb27621905 [0,1,0,0,0,1|2,0,0]=4 2194 B9R0.7 O=C(O)CCC(Cl)C(=O)O Amb17594149 [0,1,0,0,0,1|0,0,0]=2 2195 B9R0.7 O=C(O)CCC(O)C(=O)O Amb18124864 [0,1,0,0,0,1|0,0,0]=2 2196 B9R0.7 O=C(O)CCC(S)C(=O)O Amb27983646 [0,1,0,0,0,1|0,0,0]=2 2197 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O Amb22799690 [0,1,0,0,0,1|0,0,0]=2 2198 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O Amb26885416 [0,1,0,0,0,1|0,0,0]=2 2199 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O Amb26590823 [0,1,0,0,0,1|0,0,0]=2 2200 B9R0.7 O=C(O)CC[C@H](O)C(=O)O Amb25948742 [0,1,0,0,0,1|0,0,0]=2 2201 B9R0.7 O=C(O)CNC(=O)C(=O)O Amb2447304 [0,1,0,0,0,1|0,0,1]=3 2202 B9R0.7 O=C(O)COC(=O)C(=O)O Amb28050116 [0,1,0,0,0,1|0,0,1]=3 2203 B9R0.7 O=C(O)C\C=C(/Cl)C(=O)O Amb27863082 [0,1,0,0,0,1|0,0,1]=3 2204 B9R0.7 O=C(O)[C@H](O)CO[PH](=O)O Amb27955235 [0,1,0,0,0,1|1,0,0]=3 2205 B9R0.7 O=C(O)\C=C\C(=O)C(=O)O Amb27214257 [0,1,0,0,0,1|0,0,2]=4 2206 B9R0.7 O=C([O-])CCC(=O)C(=O)O Amb22231405 [0,1,0,0,0,1|0,0,1]=3 2207 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] Amb10072211 [0,1,0,0,0,1|0,0,2]=4 2208 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Amb17615399 [0,1,0,0,0,1|0,0,2]=4 2209 B9R0.53 C=C(C)CC(N)CC(=O)O Amb32687894 [0,1,0,0,0,1|2,0,0]=4 2210 B9R0.53 CC(=O)CC(=O)CC(C)=O Amb4018226 [0,1,0,0,0,1|2,0,0]=4 2211 B9R0.53 CC(=O)CC(C)OC(N)=O Amb27196213 [0,1,0,0,0,1|2,0,0]=4 2212 B9R0.53 CC(=O)C[C@@H](C)CC(=O)O Amb27881969 [0,1,0,0,0,1|1,0,0]=3 2213 B9R0.53 CC(=O)C[C@H](C)OC(C)=O Amb25863249 [0,1,0,0,0,1|2,0,0]=4 2214 B9R0.53 CC(=O)NC(=O)CC(=O)O Amb24671240 [0,1,0,0,0,1|1,0,1]=4 2215 B9R0.53 CC(=O)NC(C)CC(=O)O Amb9007551 [0,1,0,0,0,1|1,0,0]=3 2216 B9R0.53 CC(=O)NC(C)CC(N)=O Amb27454423 [0,1,0,0,0,1|2,0,0]=4 2217 B9R0.53 CC(=O)NN(C)CC(=O)O Amb24430379 [0,1,0,0,0,1|2,0,0]=4 2218 B9R0.53 CC(=O)N[C@@H](C)CC(=O)O Amb2372568 [0,1,0,0,0,1|1,0,0]=3 2219 B9R0.53 CC(=O)O[C@@H](C)CC(=O)O Amb28340506 [0,1,0,0,0,1|1,0,0]=3 2220 B9R0.53 CC(=O)SC(C)CC(=O)O Amb4014288 [0,1,0,0,0,1|1,0,0]=3 2221 B9R0.53 CC(CC(=O)Cl)CC(=O)Cl Amb28076995 [0,1,0,0,0,1|2,0,0]=4 2222 B9R0.53 CC(CC(=O)O)CC(=O)O Amb2782854 [0,1,0,0,0,1|0,0,0]=2 2223 B9R0.53 CC(CC(=O)O)NC(=N)N Amb25696242 [0,1,0,0,0,1|2,0,0]=4 2224 B9R0.53 CC(CC(=O)O)NC(N)=O Amb9018480 [0,1,0,0,0,1|1,0,0]=3 2225 B9R0.53 CC(CC(N)=O)CC(N)=O Amb4020693 [0,1,0,0,0,1|2,0,0]=4 2226 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [0,1,0,0,0,1|0,0,0]=2 2227 B9R0.53 CN(CC(N)=O)CC(N)=O Amb27395331 [0,1,0,0,0,1|2,0,0]=4 2228 B9R0.53 CS(=O)C[C@H](N)CC(=O)O Amb27776743 [0,1,0,0,0,1|2,0,0]=4 2229 B9R0.53 C[C@@H](CC(N)=O)CC(=O)O Amb27404517 [0,1,0,0,0,1|1,0,0]=3 2230 B9R0.53 C\C(=C/C(=O)O)CC(=O)O Amb24556420 [0,1,0,0,0,1|0,0,1]=3 2231 B9R0.53 C\C(=C\C(=O)O)CC(=O)O Amb26421861 [0,1,0,0,0,1|0,0,1]=3 2232 B9R0.53 NC(=O)CC(N)CC(=O)O Amb27837998 [0,1,0,0,0,1|1,0,0]=3 2233 B9R0.53 NC(=O)CC(O)CC(N)=O Amb27203532 [0,1,0,0,0,1|2,0,0]=4 2234 B9R0.53 NC(=O)C[C@@H](N)CC(=O)O Amb26023970 [0,1,0,0,0,1|1,0,0]=3 2235 B9R0.53 NC(=O)NC(=O)CC(=O)O Amb25887627 [0,1,0,0,0,1|1,0,1]=4 2236 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [0,1,0,0,0,1|0,0,0]=2 2237 B9R0.53 NC(CC(=O)O)CC(=O)O Amb6296966 [0,1,0,0,0,1|0,0,0]=2 2238 B9R0.53 NN(CC(=O)O)CC(=O)O Amb534841 [0,1,0,0,0,1|0,0,0]=2 2239 B9R0.53 O=C(Cl)CC(Cl)CC(=O)Cl Amb27390104 [0,1,0,0,0,1|2,0,0]=4 2240 B9R0.53 O=C(O)CC(=O)CC(=O)O Amb6298323 [0,1,0,0,0,1|0,0,0]=2 2241 B9R0.53 O=C(O)CC(Br)CC(=O)O Amb28049987 [0,1,0,0,0,1|0,0,0]=2 2242 B9R0.53 O=C(O)CC(O)CC(=O)O Amb17615401 [0,1,0,0,0,1|0,0,0]=2 2243 B9R0.53 O=C(O)CS(=O)CC(=O)O Amb6364793 [0,1,0,0,0,1|0,0,0]=2 2244 B9R0.53 O=C(O)\C=C(\Cl)CC(=O)O Amb2612119 [0,1,0,0,0,1|0,0,1]=3 2245 B9R0.53 [NH3+]N(CC(=O)O)CC(=O)O Amb23453377 [0,1,0,0,0,1|0,0,0]=2 2246 B9R0.56 CC(=O)NCCS(=O)(=O)O Amb26916542 [0,1,0,0,0,1|2,0,0]=4 2247 B9R0.56 CC(=O)SCCS(=O)(=O)O Amb21857874 [0,1,0,0,0,1|2,0,0]=4 2248 B9R0.56 CC(C)(O)CCCC(=O)O Amb24340189 [0,1,0,0,0,1|1,0,1]=4 2249 B9R0.56 CC(C)(O)CSCC(=O)O Amb18307056 [0,1,0,0,0,1|1,0,1]=4 2250 B9R0.56 CP(=O)(O)CCCC(=O)O Amb24524573 [0,1,0,0,0,1|1,0,0]=3 2251 B9R0.56 CP(C)(=O)CNCC(=O)O Amb25339632 [0,1,0,0,0,1|2,0,0]=4 2252 B9R0.56 CS(=O)(=O)CCCC(=O)O Amb17503668 [0,1,0,0,0,1|1,0,1]=4 2253 B9R0.56 CS(=O)(=O)NCCC(=O)O Amb33536611 [0,1,0,0,0,1|1,0,1]=4 2254 B9R0.56 CS(=O)(=O)SCCC(=O)O Amb10071647 [0,1,0,0,0,1|1,0,1]=4 2255 B9R0.56 NC(=O)CCOS(=O)(=O)O Amb27879199 [0,1,0,0,0,1|2,0,0]=4 2256 B9R0.56 NC(=O)CNCP(=O)(O)O Amb27606177 [0,1,0,0,0,1|2,0,0]=4 2257 B9R0.56 NC(=O)NCCS(=O)(=O)O Amb24710318 [0,1,0,0,0,1|2,0,0]=4 2258 B9R0.56 NP(=O)(O)CNCC(=O)O Amb27233408 [0,1,0,0,0,1|1,0,0]=3 2259 B9R0.56 NS(=O)(=O)CCCC(=O)O Amb6741827 [0,1,0,0,0,1|1,0,1]=4 2260 B9R0.56 NS(=O)(=O)NCCC(=O)O Amb6263261 [0,1,0,0,0,1|1,0,1]=4 2261 B9R0.56 O=C(O)CCCS(=O)(=O)Cl Amb28196571 [0,1,0,0,0,1|1,0,1]=4 2262 B9R0.56 O=C(O)CCCS(=O)(=O)O Amb27471573 [0,1,0,0,0,1|1,0,0]=3 2263 B9R0.56 O=C(O)CNCP(=O)(O)O Amb3941678 [0,1,0,0,0,1|1,0,0]=3 2264 B9R0.56 O=C(O)CNCP(=O)([O-])O Amb28995134 [0,1,0,0,0,1|1,0,0]=3 2265 B9R0.56 O=C(O)\C=C\CS(=O)(=O)O Amb25185208 [0,1,0,0,0,1|1,0,1]=4 2266 B9R0.56 O=C([O-])CNCP(=O)(O)O Amb22731628 [0,1,0,0,0,1|1,0,1]=4 2267 B9R0.21 C=CC(=O)CCS(=O)(=O)O Amb28049856 [0,2,0,0,0,0|2,0,0]=4 2268 B9R0.21 COC(=O)CCP(=O)(O)O Amb22388887 [0,2,0,0,0,0|1,0,0]=3 2269 B9R0.21 COC(=O)CCS(=O)(=O)Cl Amb443859 [0,2,0,0,0,0|1,0,1]=4 2270 B9R0.21 COC(=O)CCS(=O)(=O)F Amb25830336 [0,2,0,0,0,0|1,0,1]=4 2271 B9R0.21 COC(=O)CCS(=O)(=O)O Amb17400246 [0,2,0,0,0,0|1,0,0]=3 2272 B9R0.21 COC(=O)CCS(=O)(=O)[O-] Amb28325565 [0,2,0,0,0,0|1,0,1]=4 2273 B9R0.21 COC(=O)CCS(C)(=N)=O Amb33621261 [0,2,0,0,0,0|2,0,0]=4 2274 B9R0.21 COC(=O)CCS(C)(=N)=O Amb33749083 [0,2,0,0,0,0|2,0,0]=4 2275 B9R0.21 COC(=O)CCS(C)(=O)=O Amb18177820 [0,2,0,0,0,0|1,0,1]=4 2276 B9R0.21 COC(=O)CCS(N)(=O)=O Amb1131761 [0,2,0,0,0,0|1,0,1]=4 2277 B9R0.21 COC(=O)CC[S@](C)(=N)=O Amb33744014 [0,2,0,0,0,0|2,0,0]=4 2278 B9R0.21 COC(=O)NCP(=O)(O)O Amb27202848 [0,2,0,0,0,0|2,0,0]=4 2279 B9R0.21 CS(=O)(=O)CCC(=O)NO Amb28049751 [0,2,0,0,0,0|1,0,1]=4 2280 B9R0.21 O=C(CO)CCP(=O)(O)O Amb27945519 [0,2,0,0,0,0|1,0,0]=3 2281 B9R0.21 O=C(CO)CO[PH](=O)(=O)O Amb28190298 [0,2,0,0,0,0|2,0,0]=4 2282 B9R0.21 O=C(CO)CSP(=O)(O)O Amb28050764 [0,2,0,0,0,0|2,0,0]=4 2283 B9R0.21 O=C(CO)CS[PH](=O)(=O)O Amb27594796 [0,2,0,0,0,0|2,0,0]=4 2284 B9R0.23 C=C(Br)C[C@@H](N)C(=O)OC Amb27248287 [0,2,0,0,0,0|2,0,0]=4 2285 B9R0.23 C=C(C)CC(C)C(=O)OC Amb27857780 [0,2,0,0,0,0|2,0,0]=4 2286 B9R0.23 C=C(C)CC(Cl)C(=O)OC Amb28051409 [0,2,0,0,0,0|2,0,0]=4 2287 B9R0.23 C=C(C)CC(N)C(=O)OC Amb26654974 [0,2,0,0,0,0|2,0,0]=4 2288 B9R0.23 C=C(C)CC(O)C(=O)OC Amb24464009 [0,2,0,0,0,0|2,0,0]=4 2289 B9R0.23 C=C(C)C[C@@H](O)C(=O)OC Amb27219810 [0,2,0,0,0,0|2,0,0]=4 2290 B9R0.23 C=C(CC(=O)O)C(=O)OC Amb4034427 [0,2,0,0,0,0|0,0,1]=3 2291 B9R0.23 C=C(CC)C(N)CC(=O)O Amb25068441 [0,2,0,0,0,0|2,0,0]=4 2292 B9R0.23 C=C(Cl)CC(N)C(=O)OC Amb18645938 [0,2,0,0,0,0|2,0,0]=4 2293 B9R0.23 C=CC(=O)N(C)CC(=O)O Amb6267159 [0,2,0,0,0,0|2,0,0]=4 2294 B9R0.23 C=CC(=O)N(O)CC(=O)O Amb27175200 [0,2,0,0,0,0|2,0,0]=4 2295 B9R0.23 CC(C=O)C(C)CC(=O)O Amb27838156 [0,2,0,0,0,0|1,0,1]=4 2296 B9R0.23 CC(CC(=O)O)C(N)CO Amb27843636 [0,2,0,0,0,0|1,0,1]=4 2297 B9R0.23 CCC(=O)N(C)CC(=O)O Amb1113094 [0,2,0,0,0,0|2,0,0]=4 2298 B9R0.23 CCS(=O)C(C)CC(=O)O Amb19012075 [0,2,0,0,0,0|2,0,0]=4 2299 B9R0.23 CC[C@H](O)[C@@H](N)CC(=O)O Amb27469484 [0,2,0,0,0,0|1,0,1]=4 2300 B9R0.23 CN(CC(=O)O)C(=O)CCl Amb21956220 [0,2,0,0,0,0|2,0,0]=4 2301 B9R0.23 CN(CC(=O)O)C(=O)CN Amb21929346 [0,2,0,0,0,0|2,0,0]=4 2302 B9R0.23 CN(CC(=O)O)C(=O)CO Amb25848387 [0,2,0,0,0,0|1,0,0]=3 2303 B9R0.23 CN(CC(=O)O)C(=O)CS Amb27406788 [0,2,0,0,0,0|1,1,0]=4 2304 B9R0.23 CNC(=O)C(C)CC(N)=O Amb17334220 [0,2,0,0,0,0|2,0,0]=4 2305 B9R0.23 CNC(=O)C(N)CC(=O)O Amb18862479 [0,2,0,0,0,0|1,0,0]=3 2306 B9R0.23 CNC(=O)C(N)CC(N)=O Amb18968977 [0,2,0,0,0,0|2,0,0]=4 2307 B9R0.23 COC(=O)C(=O)CC(C)=O Amb1155424 [0,2,0,0,0,0|1,0,1]=4 2308 B9R0.23 COC(=O)C(Br)CC(=O)O Amb18656999 [0,2,0,0,0,0|0,0,0]=2 2309 B9R0.23 COC(=O)C(C)CC(=O)O Amb18644248 [0,2,0,0,0,0|0,0,0]=2 2310 B9R0.23 COC(=O)C(C)CC(C)=O Amb27465860 [0,2,0,0,0,0|1,0,0]=3 2311 B9R0.23 COC(=O)C(C)CS(=O)Cl Amb32720544 [0,2,0,0,0,0|2,0,0]=4 2312 B9R0.23 COC(=O)C(C)CS(=O)[O-] Amb32754342 [0,2,0,0,0,0|1,0,1]=4 2313 B9R0.23 COC(=O)C(C)CS(N)=O Amb32720545 [0,2,0,0,0,0|2,0,0]=4 2314 B9R0.23 COC(=O)C(C)C[PH](=O)O Amb27826336 [0,2,0,0,0,0|1,0,0]=3 2315 B9R0.23 COC(=O)C(C)NC(C)=O Amb24650565 [0,2,0,0,0,0|2,0,0]=4 2316 B9R0.23 COC(=O)C(C)NC(N)=O Amb20407420 [0,2,0,0,0,0|2,0,0]=4 2317 B9R0.23 COC(=O)C(Cl)CC(=O)O Amb27589899 [0,2,0,0,0,0|0,0,0]=2 2318 B9R0.23 COC(=O)C(Cl)CS(=O)Cl Amb32720436 [0,2,0,0,0,0|2,0,0]=4 2319 B9R0.23 COC(=O)C(Cl)CS(=O)[O-] Amb32755396 [0,2,0,0,0,0|1,0,1]=4 2320 B9R0.23 COC(=O)C(Cl)CS(N)=O Amb32720437 [0,2,0,0,0,0|2,0,0]=4 2321 B9R0.23 COC(=O)C(Cl)NC(C)=O Amb28193243 [0,2,0,0,0,0|2,0,0]=4 2322 B9R0.23 COC(=O)C(F)CC(=O)O Amb27837974 [0,2,0,0,0,0|0,0,0]=2 2323 B9R0.23 COC(=O)C(N)CC(=O)O Amb18644309 [0,2,0,0,0,0|0,0,0]=2 2324 B9R0.23 COC(=O)C(N)CC(C)=O Amb25367296 [0,2,0,0,0,0|1,0,0]=3 2325 B9R0.23 COC(=O)C(N)CC(C)O Amb33065512 [0,2,0,0,0,0|1,0,1]=4 2326 B9R0.23 COC(=O)C(N)CC(N)=O Amb16243083 [0,2,0,0,0,0|1,0,0]=3 2327 B9R0.23 COC(=O)C(N)CC(N)=O Amb17601698 [0,2,0,0,0,0|1,0,0]=3 2328 B9R0.23 COC(=O)C(O)CC(=O)O Amb17615865 [0,2,0,0,0,0|0,0,0]=2 2329 B9R0.23 COC(=O)C(O)CC(N)=O Amb27655536 [0,2,0,0,0,0|1,0,0]=3 2330 B9R0.23 COC(=O)N(C)CC(=O)O Amb6668732 [0,2,0,0,0,0|1,0,0]=3 2331 B9R0.23 COC(=O)[C@@H](Br)CC(N)=O Amb27789593 [0,2,0,0,0,0|1,0,0]=3 2332 B9R0.23 COC(=O)[C@@H](C)NC(C)=O Amb17621817 [0,2,0,0,0,0|2,0,0]=4 2333 B9R0.23 COC(=O)[C@@H](C)OC(C)=O Amb28314265 [0,2,0,0,0,0|2,0,0]=4 2334 B9R0.23 COC(=O)[C@@H](F)CC(=O)O Amb27406311 [0,2,0,0,0,0|0,0,0]=2 2335 B9R0.23 COC(=O)[C@@H](N)CC(=O)O Amb22746069 [0,2,0,0,0,0|0,0,0]=2 2336 B9R0.23 COC(=O)[C@@H](N)CC(=O)O Amb8390387 [0,2,0,0,0,0|0,0,0]=2 2337 B9R0.23 COC(=O)[C@@H](N)CC(=O)[O-] Amb22231950 [0,2,0,0,0,0|0,0,1]=3 2338 B9R0.23 COC(=O)[C@@H](N)CC(N)=O Amb8390381 [0,2,0,0,0,0|1,0,0]=3 2339 B9R0.23 COC(=O)[C@@H](O)CC(=O)O Amb17615867 [0,2,0,0,0,0|0,0,0]=2 2340 B9R0.23 COC(=O)[C@H](C)CC(=O)Cl Amb28050543 [0,2,0,0,0,0|1,0,0]=3 2341 B9R0.23 COC(=O)[C@H](C)CC(=O)O Amb24561954 [0,2,0,0,0,0|0,0,0]=2 2342 B9R0.23 COC(=O)[C@H](C)NC(C)=O Amb4034849 [0,2,0,0,0,0|2,0,0]=4 2343 B9R0.23 COC(=O)[C@H](C)NC(N)=O Amb27948545 [0,2,0,0,0,0|2,0,0]=4 2344 B9R0.23 COC(=O)[C@H](Cl)CC(=O)O Amb27232518 [0,2,0,0,0,0|0,0,0]=2 2345 B9R0.23 COC(=O)[C@H](N)CC(=O)O Amb19944281 [0,2,0,0,0,0|0,0,0]=2 2346 B9R0.23 COC(=O)[C@H](N)CC(N)=O Amb19883963 [0,2,0,0,0,0|1,0,0]=3 2347 B9R0.23 COC(=O)[C@H](N)CC(N)=O Amb27597987 [0,2,0,0,0,0|1,0,0]=3 2348 B9R0.23 COC(=O)[C@H](O)CC(=O)O Amb17615866 [0,2,0,0,0,0|0,0,0]=2 2349 B9R0.23 COC(=O)[C@H](O)CC(N)=O Amb27623997 [0,2,0,0,0,0|1,0,0]=3 2350 B9R0.23 COC(=O)\C(Br)=C\C(=O)O Amb15695379 [0,2,0,0,0,0|0,0,2]=4 2351 B9R0.23 COC(=O)\C(C)=C\C(=O)O Amb27221493 [0,2,0,0,0,0|0,0,2]=4 2352 B9R0.23 COC(=O)\C(F)=C\C(=O)O Amb28288995 [0,2,0,0,0,0|0,0,2]=4 2353 B9R0.23 COC(=S)N(C)CC(=O)O Amb24514158 [0,2,0,0,0,0|1,1,0]=4 2354 B9R0.23 COC(C)C(C)CC(=O)O Amb18202340 [0,2,0,0,0,0|1,0,1]=4 2355 B9R0.23 COC(C)C(N)CC(=O)O Amb26567214 [0,2,0,0,0,0|1,0,1]=4 2356 B9R0.23 CO[C@H](C)[C@H](N)CC(=O)O Amb35788177 [0,2,0,0,0,0|1,0,1]=4 2357 B9R0.23 CO[C@H](C)[C@H](N)CC(=O)O Amb35789671 [0,2,0,0,0,0|1,0,1]=4 2358 B9R0.23 C[C@H](C=O)[C@@H](C)CC(=O)O Amb27874077 [0,2,0,0,0,0|1,0,1]=4 2359 B9R0.23 C\C(=C/N)C(N)CC(=O)O Amb28075172 [0,2,0,0,0,0|2,0,0]=4 2360 B9R0.23 C\C(=N/O)C(O)CC(=O)O Amb27223478 [0,2,0,0,0,0|1,0,0]=3 2361 B9R0.23 C\C=C(\C)C(N)CC(=O)O Amb28245387 [0,2,0,0,0,0|2,0,0]=4 2362 B9R0.23 NC(CC(=O)O)C(O)CF Amb28071644 [0,2,0,0,0,0|1,0,1]=4 2363 B9R0.23 NC(CO)C(N)CC(=O)O Amb27804493 [0,2,0,0,0,0|1,0,1]=4 2364 B9R0.23 NNC(=O)C(N)CC(=O)O Amb26438038 [0,2,0,0,0,0|1,0,0]=3 2365 B9R0.23 NNC(=O)C(N)CC(=O)O Amb35750707 [0,2,0,0,0,0|1,0,0]=3 2366 B9R0.23 NNC(=O)C(N)CC(N)=O Amb27265356 [0,2,0,0,0,0|2,0,0]=4 2367 B9R0.23 N[C@@H](CO)[C@H](N)CC(=O)O Amb27594534 [0,2,0,0,0,0|1,0,1]=4 2368 B9R0.23 N[C@H](CC(=O)O)C(=O)NO Amb27413035 [0,2,0,0,0,0|0,0,0]=2 2369 B9R0.23 O=C(O)CC(Br)C(=O)CBr Amb15772353 [0,2,0,0,0,0|1,0,0]=3 2370 B9R0.23 O=C(O)CC(S)C(=O)CS Amb27758589 [0,2,0,0,0,0|0,1,0]=3 2371 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO Amb24726353 [0,2,0,0,0,0|0,0,2]=4 2372 B9R0.24 C#CC(O)CCC(=O)OC Amb27851096 [0,2,0,0,0,0|1,0,1]=4 2373 B9R0.24 C#C[C@@H](O)CCC(=O)OC Amb28207270 [0,2,0,0,0,0|1,0,1]=4 2374 B9R0.24 C=C(C=O)CCC(=O)OC Amb27876497 [0,2,0,0,0,0|1,0,0]=3 2375 B9R0.24 C=C(CO)COC(=O)OC Amb28050776 [0,2,0,0,0,0|2,0,0]=4 2376 B9R0.24 CCC(=O)CCC(=O)CC Amb8391992 [0,2,0,0,0,0|2,0,0]=4 2377 B9R0.24 CCC(=O)CNC(=O)CO Amb27448700 [0,2,0,0,0,0|2,0,0]=4 2378 B9R0.24 CCC(O)CCC(=O)OC Amb25850223 [0,2,0,0,0,0|1,0,1]=4 2379 B9R0.24 CC[C@@H](O)CCC(=O)OC Amb24561650 [0,2,0,0,0,0|1,0,1]=4 2380 B9R0.24 CNC(=O)CCC(=O)NC Amb4017621 [0,2,0,0,0,0|2,0,0]=4 2381 B9R0.24 CNC(=O)CCC(=O)OC Amb17399893 [0,2,0,0,0,0|1,0,0]=3 2382 B9R0.24 CNC(=O)COC(=O)CO Amb28315993 [0,2,0,0,0,0|2,0,0]=4 2383 B9R0.24 CNC(=O)SCC(=O)OC Amb27180433 [0,2,0,0,0,0|2,0,0]=4 2384 B9R0.24 COC(=O)C#CC(=O)OC Amb6891940 [0,2,0,0,0,0|0,0,2]=4 2385 B9R0.24 COC(=O)CCC(=N)NO Amb27148692 [0,2,0,0,0,0|1,0,0]=3 2386 B9R0.24 COC(=O)CCC(=O)CBr Amb33526898 [0,2,0,0,0,0|1,0,0]=3 2387 B9R0.24 COC(=O)CCC(=O)CCl Amb26649344 [0,2,0,0,0,0|1,0,0]=3 2388 B9R0.24 COC(=O)CCC(=O)CN Amb18202127 [0,2,0,0,0,0|1,0,0]=3 2389 B9R0.24 COC(=O)CCC(=O)CN Amb6366854 [0,2,0,0,0,0|1,0,0]=3 2390 B9R0.24 COC(=O)CCC(=O)NN Amb28046722 [0,2,0,0,0,0|1,0,0]=3 2391 B9R0.24 COC(=O)CCC(=O)NO Amb28454716 [0,2,0,0,0,0|0,0,0]=2 2392 B9R0.24 COC(=O)CCC(=O)OC Amb2793094 [0,2,0,0,0,0|0,0,0]=2 2393 B9R0.24 COC(=O)CCC(C)C=O Amb18644121 [0,2,0,0,0,0|1,0,1]=4 2394 B9R0.24 COC(=O)CCC(C)CO Amb28319952 [0,2,0,0,0,0|1,0,1]=4 2395 B9R0.24 COC(=O)CCC(C)OC Amb26355788 [0,2,0,0,0,0|1,0,1]=4 2396 B9R0.24 COC(=O)CCC(Cl)C=O Amb27760397 [0,2,0,0,0,0|1,0,1]=4 2397 B9R0.24 COC(=O)CCN(C)N=O Amb17618594 [0,2,0,0,0,0|2,0,0]=4 2398 B9R0.24 COC(=O)CCN(C)OC Amb27206937 [0,2,0,0,0,0|2,0,0]=4 2399 B9R0.24 COC(=O)CCS(=O)OC Amb22728623 [0,2,0,0,0,0|1,0,0]=3 2400 B9R0.24 COC(=O)CC[C@@H](C)CO Amb28050698 [0,2,0,0,0,0|1,0,1]=4 2401 B9R0.24 COC(=O)CC[C@@H](O)C#N Amb27763450 [0,2,0,0,0,0|1,0,1]=4 2402 B9R0.24 COC(=O)CC[C@@H](O)CO Amb27761525 [0,2,0,0,0,0|0,0,2]=4 2403 B9R0.24 COC(=O)CC[C@H](O)C#N Amb28050749 [0,2,0,0,0,0|1,0,1]=4 2404 B9R0.24 COC(=O)CC[C@H](O)CBr Amb27635803 [0,2,0,0,0,0|1,0,1]=4 2405 B9R0.24 COC(=O)CC\C(C)=N\O Amb28064373 [0,2,0,0,0,0|1,0,0]=3 2406 B9R0.24 COC(=O)CNC(=O)C#N Amb27426721 [0,2,0,0,0,0|2,0,0]=4 2407 B9R0.24 COC(=O)CNC(=O)CBr Amb17329958 [0,2,0,0,0,0|2,0,0]=4 2408 B9R0.24 COC(=O)CNC(=O)CCl Amb367447 [0,2,0,0,0,0|2,0,0]=4 2409 B9R0.24 COC(=O)CNC(=O)CN Amb2701513 [0,2,0,0,0,0|2,0,0]=4 2410 B9R0.24 COC(=O)CNC(=O)CN Amb5783125 [0,2,0,0,0,0|2,0,0]=4 2411 B9R0.24 COC(=O)CNC(=O)CO Amb28410960 [0,2,0,0,0,0|1,0,0]=3 2412 B9R0.24 COC(=O)CNC(=O)NN Amb32789579 [0,2,0,0,0,0|2,0,0]=4 2413 B9R0.24 COC(=O)CNC(=O)OC Amb9265412 [0,2,0,0,0,0|1,0,0]=3 2414 B9R0.24 COC(=O)CNC(=O)SC Amb24620395 [0,2,0,0,0,0|1,1,0]=4 2415 B9R0.24 COC(=O)COC(=O)CO Amb28206230 [0,2,0,0,0,0|1,0,0]=3 2416 B9R0.24 COC(=O)CSC(=O)CCl Amb27407672 [0,2,0,0,0,0|2,0,0]=4 2417 B9R0.24 COC(=O)C\C=C(\C)CO Amb28050664 [0,2,0,0,0,0|1,0,1]=4 2418 B9R0.24 COC(=O)C\N=C(/C)OC Amb27632931 [0,2,0,0,0,0|2,0,0]=4 2419 B9R0.24 COC(=O)NCC(=O)CBr Amb28122949 [0,2,0,0,0,0|2,0,0]=4 2420 B9R0.24 COC(=O)NCC(=O)NN Amb27969172 [0,2,0,0,0,0|2,0,0]=4 2421 B9R0.24 COC(=O)NCC(=O)NO Amb27211651 [0,2,0,0,0,0|1,0,0]=3 2422 B9R0.24 COC(=O)\C=C/C(=O)OC Amb8514575 [0,2,0,0,0,0|0,0,2]=4 2423 B9R0.24 COC(=O)\C=C\C(=O)OC Amb1789270 [0,2,0,0,0,0|0,0,2]=4 2424 B9R0.24 COC(=O)\N=N\C(=O)OC Amb6296109 [0,2,0,0,0,0|2,0,0]=4 2425 B9R0.24 C\C(CC\C(C)=N/O)=N\O Amb9795963 [0,2,0,0,0,0|2,0,0]=4 2426 B9R0.24 C\C(CC\C(C)=N\O)=N/O Amb27595551 [0,2,0,0,0,0|2,0,0]=4 2427 B9R0.24 NCC(=O)CCC(=O)CCl Amb27767996 [0,2,0,0,0,0|2,0,0]=4 2428 B9R0.24 NNC(=O)CCC(=O)NN Amb6335816 [0,2,0,0,0,0|2,0,0]=4 2429 B9R0.24 NOC(=O)CCC(=O)ON Amb22346144 [0,2,0,0,0,0|0,0,0]=2 2430 B9R0.24 N\C(CC\C(N)=N/O)=N\O Amb2696657 [0,2,0,0,0,0|2,0,0]=4 2431 B9R0.42 C#CC(=O)N[C@@H](C)C(=O)O Amb28060769 [0,2,0,0,0,0|2,0,0]=4 2432 B9R0.42 C#C[C@@H](O)C[C@@H](N)C(=O)O Amb28321822 [0,2,0,0,0,0|1,0,1]=4 2433 B9R0.42 C=C(C)C(O)CC(=O)OC Amb27839501 [0,2,0,0,0,0|2,0,0]=4 2434 B9R0.42 C=C(C)[C@@H](O)CC(=O)OC Amb33199529 [0,2,0,0,0,0|2,0,0]=4 2435 B9R0.42 C=C(C)[C@H](O)CC(=O)OC Amb33199525 [0,2,0,0,0,0|2,0,0]=4 2436 B9R0.42 C=C(CC(=O)NC)C(=O)O Amb22269311 [0,2,0,0,0,0|1,0,1]=4 2437 B9R0.42 C=C(CC(=O)OC)C(=O)O Amb4035034 [0,2,0,0,0,0|0,0,1]=3 2438 B9R0.42 C=C(CC)CC(N)C(=O)O Amb28064280 [0,2,0,0,0,0|2,0,0]=4 2439 B9R0.42 C=C(CC)C[C@@H](N)C(=O)O Amb26340266 [0,2,0,0,0,0|2,0,0]=4 2440 B9R0.42 C=C(CC)C[C@H](N)C(=O)O Amb25694434 [0,2,0,0,0,0|2,0,0]=4 2441 B9R0.42 C=C(Cl)C(O)CC(=O)OC Amb28050635 [0,2,0,0,0,0|2,0,0]=4 2442 B9R0.42 C=CC(=O)NC(O)C(=O)O Amb3940875 [0,2,0,0,0,0|2,0,0]=4 2443 B9R0.42 C=CC(=O)NC(O)C(=O)O Amb9790819 [0,2,0,0,0,0|2,0,0]=4 2444 B9R0.42 C=CC(=O)OC(C)C(=O)O Amb27592472 [0,2,0,0,0,0|2,0,0]=4 2445 B9R0.42 CC(=O)C(O)CC(=O)C=O Amb27480852 [0,2,0,0,0,0|1,0,1]=4 2446 B9R0.42 CC(=O)N(C)CC(=O)NO Amb28291755 [0,2,0,0,0,0|2,0,0]=4 2447 B9R0.42 CC(CC(=O)CCl)C(=O)O Amb24585160 [0,2,0,0,0,0|1,0,0]=3 2448 B9R0.42 CC(CO)CC(C)C(=O)O Amb27838009 [0,2,0,0,0,0|1,0,1]=4 2449 B9R0.42 CC(CO)CC(N)C(=O)O Amb25147300 [0,2,0,0,0,0|1,0,1]=4 2450 B9R0.42 CC(CO)C[C@@H](N)C(=O)O Amb33036727 [0,2,0,0,0,0|1,0,1]=4 2451 B9R0.42 CC(CO)C[C@H](N)C(=O)O Amb32865934 [0,2,0,0,0,0|1,0,1]=4 2452 B9R0.42 CC(NC(=O)C=O)C(=O)O Amb27830810 [0,2,0,0,0,0|1,0,1]=4 2453 B9R0.42 CC(NC(=O)CCl)C(=O)O Amb3940604 [0,2,0,0,0,0|2,0,0]=4 2454 B9R0.42 CC(NC(=O)CN)C(=O)O Amb533807 [0,2,0,0,0,0|2,0,0]=4 2455 B9R0.42 CC(O)C(O)CC(=O)CO Amb27615146 [0,2,0,0,0,0|1,0,1]=4 2456 B9R0.42 CC(OC(=O)CCl)C(=O)O Amb28042677 [0,2,0,0,0,0|2,0,0]=4 2457 B9R0.42 CC(OC(=O)CO)C(N)=O Amb28126899 [0,2,0,0,0,0|2,0,0]=4 2458 B9R0.42 CCC(=O)CC(N)C(=O)O Amb22546324 [0,2,0,0,0,0|1,0,0]=3 2459 B9R0.42 CCC(=O)CC(N)C(=O)O Amb24479073 [0,2,0,0,0,0|1,0,0]=3 2460 B9R0.42 CCC(=O)CC(N)C(N)=O Amb25129863 [0,2,0,0,0,0|2,0,0]=4 2461 B9R0.42 CCC(=O)CC(O)C(=O)O Amb27655574 [0,2,0,0,0,0|1,0,0]=3 2462 B9R0.42 CCC(=O)C[C@@H](N)C(=O)O Amb26061186 [0,2,0,0,0,0|1,0,0]=3 2463 B9R0.42 CCC(=O)C[C@H](N)C(=O)O Amb24479266 [0,2,0,0,0,0|1,0,0]=3 2464 B9R0.42 CCC(=O)NC(C)C(=O)O Amb1116933 [0,2,0,0,0,0|2,0,0]=4 2465 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O Amb22901053 [0,2,0,0,0,0|2,0,0]=4 2466 B9R0.42 CCC(O)CC(C)C(=O)O Amb28348984 [0,2,0,0,0,0|1,0,1]=4 2467 B9R0.42 CCC(O)CC(Cl)C(=O)O Amb28244776 [0,2,0,0,0,0|1,0,1]=4 2468 B9R0.42 CCC(O)CC(N)C(=O)O Amb24117068 [0,2,0,0,0,0|1,0,1]=4 2469 B9R0.42 CCC(O)CC(O)C(=O)O Amb28050169 [0,2,0,0,0,0|1,0,1]=4 2470 B9R0.42 CCC(O)C[C@@H](N)C(=O)O Amb33065603 [0,2,0,0,0,0|1,0,1]=4 2471 B9R0.42 CCC(O)C[C@H](N)C(=O)O Amb24759913 [0,2,0,0,0,0|1,0,1]=4 2472 B9R0.42 CCS(=O)CC(C)C(=O)O Amb19012076 [0,2,0,0,0,0|2,0,0]=4 2473 B9R0.42 CCS(=O)CC(O)C(=O)O Amb28342085 [0,2,0,0,0,0|2,0,0]=4 2474 B9R0.42 CCS(=O)C[C@H](N)C(=O)O Amb28118843 [0,2,0,0,0,0|2,0,0]=4 2475 B9R0.42 CNC(=O)CC(C)C(N)=O Amb17334219 [0,2,0,0,0,0|2,0,0]=4 2476 B9R0.42 CNC(=O)CC(N)C(=O)O Amb27839034 [0,2,0,0,0,0|1,0,0]=3 2477 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O Amb20240891 [0,2,0,0,0,0|1,0,0]=3 2478 B9R0.42 CNC(=O)NC(C)C(=O)O Amb1130316 [0,2,0,0,0,0|2,0,0]=4 2479 B9R0.42 CNC(=O)N[C@@H](C)C(=O)O Amb24478025 [0,2,0,0,0,0|2,0,0]=4 2480 B9R0.42 CNC(=O)N[C@H](C)C(=O)O Amb24558529 [0,2,0,0,0,0|2,0,0]=4 2481 B9R0.42 CNC(=O)OC(C)C(=O)O Amb35655772 [0,2,0,0,0,0|2,0,0]=4 2482 B9R0.42 CNC(=O)O[C@@H](C)C(=O)O Amb35647450 [0,2,0,0,0,0|2,0,0]=4 2483 B9R0.42 CNC(=O)O[C@H](C)C(=O)O Amb29866286 [0,2,0,0,0,0|2,0,0]=4 2484 B9R0.42 COC(=O)CC(=O)C(=O)O Amb22728219 [0,2,0,0,0,0|0,0,1]=3 2485 B9R0.42 COC(=O)CC(=O)C(=O)[O-] Amb34916317 [0,2,0,0,0,0|0,0,2]=4 2486 B9R0.42 COC(=O)CC(=O)C(C)=O Amb25146895 [0,2,0,0,0,0|1,0,1]=4 2487 B9R0.42 COC(=O)CC(Br)C(=O)O Amb18656998 [0,2,0,0,0,0|0,0,0]=2 2488 B9R0.42 COC(=O)CC(Br)C(C)=O Amb17403794 [0,2,0,0,0,0|1,0,0]=3 2489 B9R0.42 COC(=O)CC(Br)C(N)=O Amb27969234 [0,2,0,0,0,0|1,0,0]=3 2490 B9R0.42 COC(=O)CC(C)C(=N)N Amb27971074 [0,2,0,0,0,0|2,0,0]=4 2491 B9R0.42 COC(=O)CC(C)C(=O)Cl Amb27972299 [0,2,0,0,0,0|1,0,0]=3 2492 B9R0.42 COC(=O)CC(C)C(=O)O Amb18644239 [0,2,0,0,0,0|0,0,0]=2 2493 B9R0.42 COC(=O)CC(C)C(=O)[O-] Amb34915052 [0,2,0,0,0,0|0,0,1]=3 2494 B9R0.42 COC(=O)CC(C)[N+](=O)[O-] Amb27444812 [0,2,0,0,0,0|1,0,1]=4 2495 B9R0.42 COC(=O)CC(Cl)C(=O)O Amb32941126 [0,2,0,0,0,0|0,0,0]=2 2496 B9R0.42 COC(=O)CC(Cl)C(C)=O Amb25061154 [0,2,0,0,0,0|1,0,0]=3 2497 B9R0.42 COC(=O)CC(N)C(=O)O Amb22489498 [0,2,0,0,0,0|0,0,0]=2 2498 B9R0.42 COC(=O)CC(N)C(=O)O Amb7172558 [0,2,0,0,0,0|0,0,0]=2 2499 B9R0.42 COC(=O)CC(N)C(=O)O Amb8390391 [0,2,0,0,0,0|0,0,0]=2 2500 B9R0.42 COC(=O)CC(O)C(=O)O Amb25786182 [0,2,0,0,0,0|0,0,0]=2 2501 B9R0.42 COC(=O)CC(O)C(C)O Amb27969056 [0,2,0,0,0,0|1,0,1]=4 2502 B9R0.42 COC(=O)CC(O)C(N)=O Amb27830345 [0,2,0,0,0,0|1,0,0]=3 2503 B9R0.42 COC(=O)CC(O)[C@H](C)O Amb27455910 [0,2,0,0,0,0|1,0,1]=4 2504 B9R0.42 COC(=O)CN(C)C(=O)Cl Amb35749071 [0,2,0,0,0,0|2,0,0]=4 2505 B9R0.42 COC(=O)CN(C)C(C)=O Amb9263349 [0,2,0,0,0,0|2,0,0]=4 2506 B9R0.42 COC(=O)C[C@@H](C)C(=O)O Amb3939892 [0,2,0,0,0,0|0,0,0]=2 2507 B9R0.42 COC(=O)C[C@@H](C)C(C)=O Amb26846867 [0,2,0,0,0,0|1,0,0]=3 2508 B9R0.42 COC(=O)C[C@@H](C)C(N)=O Amb27169355 [0,2,0,0,0,0|1,0,0]=3 2509 B9R0.42 COC(=O)C[C@@H](N)C(=O)O Amb22745861 [0,2,0,0,0,0|0,0,0]=2 2510 B9R0.42 COC(=O)C[C@@H](N)C(=O)O Amb8385327 [0,2,0,0,0,0|0,0,0]=2 2511 B9R0.42 COC(=O)C[C@@H](N)[C@@H](C)O Amb28340873 [0,2,0,0,0,0|1,0,1]=4 2512 B9R0.42 COC(=O)C[C@@H](O)C(=O)O Amb23603858 [0,2,0,0,0,0|0,0,0]=2 2513 B9R0.42 COC(=O)C[C@H](Br)C(=O)O Amb26619839 [0,2,0,0,0,0|0,0,0]=2 2514 B9R0.42 COC(=O)C[C@H](C)C(=O)O Amb26967622 [0,2,0,0,0,0|0,0,0]=2 2515 B9R0.42 COC(=O)C[C@H](C)C(C)=O Amb26873807 [0,2,0,0,0,0|1,0,0]=3 2516 B9R0.42 COC(=O)C[C@H](N)C(=O)O Amb8629121 [0,2,0,0,0,0|0,0,0]=2 2517 B9R0.42 COC(=O)C[C@H](O)C(=O)O Amb25367304 [0,2,0,0,0,0|0,0,0]=2 2518 B9R0.42 COC(=O)C[C@H](O)C(N)=O Amb28120921 [0,2,0,0,0,0|1,0,0]=3 2519 B9R0.42 COC(=O)C[C@H](O)[C@H](C)O Amb28069717 [0,2,0,0,0,0|1,0,1]=4 2520 B9R0.42 COC(=O)NC(C)C(=O)O Amb6668789 [0,2,0,0,0,0|1,0,0]=3 2521 B9R0.42 COC(=O)N[C@@H](C)C(=O)O Amb24477985 [0,2,0,0,0,0|1,0,0]=3 2522 B9R0.42 COC(=O)N[C@H](C)C(=O)O Amb24381066 [0,2,0,0,0,0|1,0,0]=3 2523 B9R0.42 COC(=O)N[C@H](C)C(N)=O Amb27428453 [0,2,0,0,0,0|2,0,0]=4 2524 B9R0.42 COC(=O)SC(C)C(C)=O Amb27243977 [0,2,0,0,0,0|2,0,0]=4 2525 B9R0.42 COC(=O)\C=C(/C)C(=O)O Amb18644070 [0,2,0,0,0,0|0,0,2]=4 2526 B9R0.42 COC(=S)SC(C)C(=O)O Amb28458571 [0,2,0,0,0,0|1,1,0]=4 2527 B9R0.42 COC(C)CC(N)C(=O)O Amb25147752 [0,2,0,0,0,0|1,0,1]=4 2528 B9R0.42 COC(C)CC(O)C(=O)O Amb33353368 [0,2,0,0,0,0|1,0,1]=4 2529 B9R0.42 COC(C)C[C@@H](N)C(=O)O Amb24412403 [0,2,0,0,0,0|1,0,1]=4 2530 B9R0.42 COC(C)C[C@H](N)C(=O)O Amb27801695 [0,2,0,0,0,0|1,0,1]=4 2531 B9R0.42 C[C@@H](CO)C[C@@H](N)C(=O)O Amb27398331 [0,2,0,0,0,0|1,0,1]=4 2532 B9R0.42 C[C@@H](C[C@@H](O)CN)C(=O)O Amb27768864 [0,2,0,0,0,0|1,0,1]=4 2533 B9R0.42 C[C@@H](NC(=O)CCl)C(=O)O Amb10842258 [0,2,0,0,0,0|2,0,0]=4 2534 B9R0.42 C[C@H](CO)C[C@H](N)C(=O)O Amb27625117 [0,2,0,0,0,0|1,0,1]=4 2535 B9R0.42 C[C@H](C[C@@H](O)CN)C(=O)O Amb27169198 [0,2,0,0,0,0|1,0,1]=4 2536 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O Amb2781694 [0,2,0,0,0,0|2,0,0]=4 2537 B9R0.42 C[C@H](NC(=O)CN)C(=O)O Amb537542 [0,2,0,0,0,0|2,0,0]=4 2538 B9R0.42 C[C@H](NC(=O)CS)C(=O)O Amb27780474 [0,2,0,0,0,0|1,1,0]=4 2539 B9R0.42 C\C(=C/Cl)CC(N)C(=O)O Amb25934493 [0,2,0,0,0,0|2,0,0]=4 2540 B9R0.42 C\C(=C/Cl)C[C@@H](N)C(=O)O Amb27168937 [0,2,0,0,0,0|2,0,0]=4 2541 B9R0.42 C\C(=C/Cl)C[C@H](N)C(=O)O Amb26888703 [0,2,0,0,0,0|2,0,0]=4 2542 B9R0.42 C\C(=N/C(=O)CO)C(=O)O Amb27426561 [0,2,0,0,0,0|1,0,1]=4 2543 B9R0.42 C\C=C(/C)C[C@H](N)C(=O)O Amb27827659 [0,2,0,0,0,0|2,0,0]=4 2544 B9R0.42 NC(CC(=O)CI)C(=O)O Amb27803464 [0,2,0,0,0,0|1,0,0]=3 2545 B9R0.42 NC(CC(=O)CO)C(=O)O Amb18644310 [0,2,0,0,0,0|0,0,0]=2 2546 B9R0.42 NC(CC(=O)NO)C(=O)O Amb22349932 [0,2,0,0,0,0|0,0,0]=2 2547 B9R0.42 NC(CC(F)CO)C(=O)O Amb27632459 [0,2,0,0,0,0|1,0,1]=4 2548 B9R0.42 NC(CC(O)C=O)C(=O)O Amb28126784 [0,2,0,0,0,0|0,0,1]=3 2549 B9R0.42 NC(CC(O)CF)C(=O)O Amb33065776 [0,2,0,0,0,0|1,0,1]=4 2550 B9R0.42 NC(CC(O)CO)C(=O)O Amb18644388 [0,2,0,0,0,0|0,0,2]=4 2551 B9R0.42 NC(CC(O)CO)C(=O)O Amb24117285 [0,2,0,0,0,0|0,0,2]=4 2552 B9R0.42 NC(C\C(Cl)=C\Cl)C(=O)O Amb27232854 [0,2,0,0,0,0|2,0,0]=4 2553 B9R0.42 NC(\C=C(\P)C=O)C(=O)O Amb25361040 [0,2,0,0,0,0|1,0,1]=4 2554 B9R0.42 NCC(O)CC(N)C(=O)O Amb30988061 [0,2,0,0,0,0|1,0,1]=4 2555 B9R0.42 NCC(O)CC(O)C(=O)O Amb27170737 [0,2,0,0,0,0|1,0,1]=4 2556 B9R0.42 NC[C@H](O)CC(O)C(=O)O Amb27590744 [0,2,0,0,0,0|1,0,1]=4 2557 B9R0.42 NNC(=O)C[C@H](N)C(=O)O Amb24680907 [0,2,0,0,0,0|1,0,0]=3 2558 B9R0.42 N[C@@H](CC(=O)CCl)C(=O)O Amb27168692 [0,2,0,0,0,0|1,0,0]=3 2559 B9R0.42 N[C@@H](CC(=O)CI)C(=O)O Amb27248631 [0,2,0,0,0,0|1,0,0]=3 2560 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O Amb28050099 [0,2,0,0,0,0|0,0,0]=2 2561 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O Amb28320876 [0,2,0,0,0,0|0,0,0]=2 2562 B9R0.42 N[C@@H](CC(O)CCl)C(=O)O Amb27837835 [0,2,0,0,0,0|1,0,1]=4 2563 B9R0.42 N[C@@H](CC(O)CF)C(=O)O Amb33036578 [0,2,0,0,0,0|1,0,1]=4 2564 B9R0.42 N[C@@H](CC(O)CO)C(=O)O Amb25870815 [0,2,0,0,0,0|0,0,2]=4 2565 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O Amb17607759 [0,2,0,0,0,0|1,0,0]=3 2566 B9R0.42 N[C@H](CC(O)CF)C(=O)O Amb32796094 [0,2,0,0,0,0|1,0,1]=4 2567 B9R0.42 N[C@H](CC(O)CO)C(=O)O Amb33036156 [0,2,0,0,0,0|0,0,2]=4 2568 B9R0.42 N[C@H](CN(O)N=O)C(=O)O Amb27976802 [0,2,0,0,0,0|1,0,0]=3 2569 B9R0.42 N\C=C(/N)CC(N)C(=O)O Amb28250396 [0,2,0,0,0,0|2,0,0]=4 2570 B9R0.42 O=C(CBr)C[C@H](O)C(=O)O Amb27876238 [0,2,0,0,0,0|1,0,0]=3 2571 B9R0.42 O=C(CCl)NC(O)C(=O)O Amb27598875 [0,2,0,0,0,0|2,0,0]=4 2572 B9R0.42 O=C(O)C(O)C[C@H](O)CO Amb27984868 [0,2,0,0,0,0|0,0,2]=4 2573 B9R0.43 CC(=O)OC\C(C=O)=N\O Amb27438152 [0,2,0,0,0,0|2,0,0]=4 2574 B9R0.43 CCC(CCC(=O)O)OC Amb26936159 [0,2,0,0,0,0|1,0,1]=4 2575 B9R0.43 CC\C(CCC(=O)O)=N/O Amb27459310 [0,2,0,0,0,0|1,0,0]=3 2576 B9R0.43 COC(CCC(=O)O)OC Amb24657204 [0,2,0,0,0,0|0,0,2]=4 2577 B9R0.43 N#C\C(CCC(=O)O)=N/O Amb27259756 [0,2,0,0,0,0|1,0,0]=3 2578 B9R0.48 C#CCC(=O)NCC(=O)O Amb27641047 [0,2,0,0,0,0|2,0,0]=4 2579 B9R0.48 C=C(C)CCC(=O)OCC Amb22270105 [0,2,0,0,0,0|2,0,0]=4 2580 B9R0.48 C=C(CCC)CCC(=O)O Amb27475552 [0,2,0,0,0,0|2,0,0]=4 2581 B9R0.48 C=CNC(=O)CCC(=O)O Amb24505247 [0,2,0,0,0,0|1,0,0]=3 2582 B9R0.48 C=CNC(=O)CCC(N)=O Amb27831982 [0,2,0,0,0,0|2,0,0]=4 2583 B9R0.48 C=COC(=O)NCC(=O)O Amb28063004 [0,2,0,0,0,0|1,0,0]=3 2584 B9R0.48 C=COC(=O)\C=C/C(=O)O Amb28341819 [0,2,0,0,0,0|0,0,2]=4 2585 B9R0.48 CC(=O)CC\C(C)=C/C=O Amb27643630 [0,2,0,0,0,0|2,0,0]=4 2586 B9R0.48 CC(=O)CC\C(C)=C\C=O Amb27818040 [0,2,0,0,0,0|2,0,0]=4 2587 B9R0.48 CC(CC=O)CCC(=O)O Amb27439382 [0,2,0,0,0,0|1,0,1]=4 2588 B9R0.48 CC(CCC(=O)O)N=C=O Amb33471389 [0,2,0,0,0,0|1,0,1]=4 2589 B9R0.48 CCCC(=O)CCC(C)=O Amb2721037 [0,2,0,0,0,0|2,0,0]=4 2590 B9R0.48 CCCC(=O)NCC(=O)O Amb5741675 [0,2,0,0,0,0|2,0,0]=4 2591 B9R0.48 CCCC(=O)OCC(=O)O Amb27655588 [0,2,0,0,0,0|2,0,0]=4 2592 B9R0.48 CCCC(=O)SCC(=O)O Amb27400351 [0,2,0,0,0,0|2,0,0]=4 2593 B9R0.48 CCCC(O)CCC(=O)O Amb17689110 [0,2,0,0,0,0|1,0,1]=4 2594 B9R0.48 CCCN(O)CCC(=O)O Amb27196070 [0,2,0,0,0,0|2,0,0]=4 2595 B9R0.48 CCCS(=O)CCC(=O)O Amb18792575 [0,2,0,0,0,0|2,0,0]=4 2596 B9R0.48 CCC[C@@H](O)CCC(=O)O Amb28050107 [0,2,0,0,0,0|1,0,1]=4 2597 B9R0.48 CCC[C@H](O)CCC(=O)O Amb27618330 [0,2,0,0,0,0|1,0,1]=4 2598 B9R0.48 CCNC(=O)CCC(=O)O Amb2967295 [0,2,0,0,0,0|1,0,0]=3 2599 B9R0.48 CCNC(=O)CCC(C)=O Amb17334212 [0,2,0,0,0,0|2,0,0]=4 2600 B9R0.48 CCNC(=O)CCC(N)=O Amb17142864 [0,2,0,0,0,0|2,0,0]=4 2601 B9R0.48 CCNC(=O)NCC(=O)O Amb1129570 [0,2,0,0,0,0|2,0,0]=4 2602 B9R0.48 CCNC(=O)OCC(=O)O Amb27173452 [0,2,0,0,0,0|2,0,0]=4 2603 B9R0.48 CCOC(=O)CCB(O)O Amb25244100 [0,2,0,0,0,0|1,0,1]=4 2604 B9R0.48 CCOC(=O)CCC(=O)Cl Amb3939960 [0,2,0,0,0,0|1,0,0]=3 2605 B9R0.48 CCOC(=O)CCC(=O)O Amb1151260 [0,2,0,0,0,0|0,0,0]=2 2606 B9R0.48 CCOC(=O)CCC(C)=O Amb4605992 [0,2,0,0,0,0|1,0,0]=3 2607 B9R0.48 CCOC(=O)CCC(C)O Amb26877286 [0,2,0,0,0,0|1,0,1]=4 2608 B9R0.48 CCOC(=O)CCC(N)=O Amb8997750 [0,2,0,0,0,0|1,0,0]=3 2609 B9R0.48 CCOC(=O)CCS(=O)Cl Amb25945213 [0,2,0,0,0,0|2,0,0]=4 2610 B9R0.48 CCOC(=O)CCS(=O)O Amb24551974 [0,2,0,0,0,0|1,0,0]=3 2611 B9R0.48 CCOC(=O)CCS(=O)[O-] Amb26074084 [0,2,0,0,0,0|1,0,1]=4 2612 B9R0.48 CCOC(=O)CCS(C)=O Amb18788306 [0,2,0,0,0,0|2,0,0]=4 2613 B9R0.48 CCOC(=O)CCS(N)=O Amb32719564 [0,2,0,0,0,0|2,0,0]=4 2614 B9R0.48 CCOC(=O)CC[C@@H](C)O Amb27486190 [0,2,0,0,0,0|1,0,1]=4 2615 B9R0.48 CCOC(=O)CC[C@H](C)O Amb28370101 [0,2,0,0,0,0|1,0,1]=4 2616 B9R0.48 CCOC(=O)CC[N+](=O)[O-] Amb22739667 [0,2,0,0,0,0|1,0,1]=4 2617 B9R0.48 CCOC(=O)CNC(C)=O Amb33534694 [0,2,0,0,0,0|2,0,0]=4 2618 B9R0.48 CCOC(=O)CNC(N)=O Amb2438049 [0,2,0,0,0,0|2,0,0]=4 2619 B9R0.48 CCOC(=O)COC(=O)Cl Amb27803973 [0,2,0,0,0,0|2,0,0]=4 2620 B9R0.48 CCOC(=O)NCC(=O)O Amb6246368 [0,2,0,0,0,0|1,0,0]=3 2621 B9R0.48 CCOC(=O)NCC(N)=O Amb27392498 [0,2,0,0,0,0|2,0,0]=4 2622 B9R0.48 CCOC(=O)OCC(=O)O Amb25367281 [0,2,0,0,0,0|1,0,0]=3 2623 B9R0.48 CCOC(=O)\C=C/C(=O)O Amb24462678 [0,2,0,0,0,0|0,0,2]=4 2624 B9R0.48 CCOC(=O)\C=C\C(=O)O Amb2189151 [0,2,0,0,0,0|0,0,2]=4 2625 B9R0.48 CCOC(=S)NCC(=O)O Amb26481347 [0,2,0,0,0,0|1,1,0]=4 2626 B9R0.48 CCOC(=S)SCC(=O)O Amb4017675 [0,2,0,0,0,0|1,1,0]=4 2627 B9R0.48 CCOC(C)CCC(=O)O Amb24690847 [0,2,0,0,0,0|1,0,1]=4 2628 B9R0.48 CCSC(=O)CCC(C)=O Amb28253786 [0,2,0,0,0,0|1,1,0]=4 2629 B9R0.48 CC\C=C(/C)CCC(=O)O Amb27832037 [0,2,0,0,0,0|2,0,0]=4 2630 B9R0.48 CC\C=C(\C)CCC(=O)O Amb27811548 [0,2,0,0,0,0|2,0,0]=4 2631 B9R0.48 CN(CCO)CCC(=O)O Amb5774461 [0,2,0,0,0,0|2,0,0]=4 2632 B9R0.48 CNCC(=O)NCC(=O)O Amb19010138 [0,2,0,0,0,0|2,0,0]=4 2633 B9R0.48 CNOC(=O)CCC(=O)O Amb28126710 [0,2,0,0,0,0|0,0,0]=2 2634 B9R0.48 COCC(=O)CCC(=O)O Amb27797755 [0,2,0,0,0,0|0,0,0]=2 2635 B9R0.48 COCC(=O)COC(C)=O Amb27599018 [0,2,0,0,0,0|2,0,0]=4 2636 B9R0.48 COCC(=O)NCC(=O)O Amb1118442 [0,2,0,0,0,0|1,0,0]=3 2637 B9R0.48 COCC(=O)OCC(N)=O Amb27456203 [0,2,0,0,0,0|2,0,0]=4 2638 B9R0.48 COCC(Cl)CCC(=O)O Amb27456486 [0,2,0,0,0,0|1,0,1]=4 2639 B9R0.48 COCC(N)CCC(=O)O Amb33036364 [0,2,0,0,0,0|1,0,1]=4 2640 B9R0.48 COCC(O)CCC(=O)O Amb33036250 [0,2,0,0,0,0|0,0,2]=4 2641 B9R0.48 CONC(=O)CCC(=O)O Amb27839045 [0,2,0,0,0,0|0,0,0]=2 2642 B9R0.48 CONC(=O)CNC(C)=O Amb27771053 [0,2,0,0,0,0|2,0,0]=4 2643 B9R0.48 CONC(=O)\C=C/C(=O)O Amb27855758 [0,2,0,0,0,0|0,0,2]=4 2644 B9R0.48 CO\N=C(/C)CCC(C)=O Amb24583507 [0,2,0,0,0,0|2,0,0]=4 2645 B9R0.48 CSCC(O)CCC(=O)O Amb27490998 [0,2,0,0,0,0|0,1,1]=4 2646 B9R0.48 C[C@@H](CCO)CCC(=O)O Amb28250798 [0,2,0,0,0,0|1,0,1]=4 2647 B9R0.48 C\C(=C/CO)CCC(=O)O Amb27630663 [0,2,0,0,0,0|1,0,0]=3 2648 B9R0.48 C\C=C\C(=O)NCC(=O)O Amb9719598 [0,2,0,0,0,0|2,0,0]=4 2649 B9R0.48 C\C=C\C(=O)SCC(=O)O Amb27400187 [0,2,0,0,0,0|2,0,0]=4 2650 B9R0.48 C\C=N\C(=O)CCC(=O)O Amb27217285 [0,2,0,0,0,0|1,0,0]=3 2651 B9R0.48 N#CCC(=O)CCC(=O)O Amb24053663 [0,2,0,0,0,0|1,0,0]=3 2652 B9R0.48 N#C\C=C(/N)CCC(=O)O Amb24053667 [0,2,0,0,0,0|2,0,0]=4 2653 B9R0.48 NCCC(=O)NCC(=O)O Amb28555431 [0,2,0,0,0,0|2,0,0]=4 2654 B9R0.48 NCCC(=O)NCC(=O)O Amb4035945 [0,2,0,0,0,0|2,0,0]=4 2655 B9R0.48 NCNC(=O)CCC(=O)O Amb27753445 [0,2,0,0,0,0|1,0,0]=3 2656 B9R0.48 O=C(O)CCC(=O)NCO Amb28132582 [0,2,0,0,0,0|0,0,0]=2 2657 B9R0.48 O=C(O)CCC(O)CCO Amb28121295 [0,2,0,0,0,0|0,0,2]=4 2658 B9R0.48 O=C(O)CNC(=O)C#CBr Amb27867573 [0,2,0,0,0,0|2,0,0]=4 2659 B9R0.48 O=C(O)\C=C\C(=O)NCO Amb28346249 [0,2,0,0,0,0|0,0,2]=4 2660 B9R0.48 O=CCC(=O)CCC(=O)O Amb18644074 [0,2,0,0,0,0|0,0,1]=3 2661 B9R0.48 [N-]=[N+]=NC(=O)CCC(N)=O Amb24477439 [0,2,0,0,0,0|2,0,0]=4 2662 B9R0.64 C#CC(C)(O)CCC(=O)O Amb27168591 [0,2,0,0,0,0|1,0,1]=4 2663 B9R0.64 C=CS(=O)(=O)CCC(=O)O Amb27201337 [0,2,0,0,0,0|1,0,1]=4 2664 B9R0.64 CC(C)(C=O)CCC(=O)O Amb18644118 [0,2,0,0,0,0|1,0,1]=4 2665 B9R0.64 CC(C)(CO)CCC(=O)O Amb27173192 [0,2,0,0,0,0|1,0,1]=4 2666 B9R0.64 CC(O)(C#N)CCC(=O)O Amb28050165 [0,2,0,0,0,0|1,0,1]=4 2667 B9R0.64 CCC(C)(O)CCC(=O)O Amb25317242 [0,2,0,0,0,0|1,0,1]=4 2668 B9R0.64 CCS(=O)(=O)CCC(=O)O Amb6266853 [0,2,0,0,0,0|1,0,1]=4 2669 B9R0.64 CC[C@](C)(O)CCC(=O)O Amb27810635 [0,2,0,0,0,0|1,0,1]=4 2670 B9R0.64 CNS(=O)(=O)CCC(=O)O Amb6741778 [0,2,0,0,0,0|1,0,1]=4 2671 B9R0.64 COC(C)(C)CCC(=O)O Amb27835401 [0,2,0,0,0,0|1,0,1]=4 2672 B9R0.64 COP(=O)(O)NCC(=O)O Amb27602360 [0,2,0,0,0,0|2,0,0]=4 2673 B9R0.64 COP(=O)(S)SCC(=O)O Amb28241332 [0,2,0,0,0,0|2,0,0]=4 2674 B9R0.64 COS(=O)(=O)OCC(=O)O Amb27983681 [0,2,0,0,0,0|2,0,0]=4 2675 B9R0.64 O=C(O)CCC(F)(F)CO Amb33620699 [0,2,0,0,0,0|1,0,1]=4 2676 B9R0.64 O=C(O)CCP(=O)(O)CCl Amb27615065 [0,2,0,0,0,0|1,0,0]=3 2677 B9R0.64 O=C(O)CCS(=O)(=O)CF Amb27793811 [0,2,0,0,0,0|1,0,1]=4 2678 B9R0.10 CC(CC(=O)O)C(C)(C)O Amb27815005 [0,2,0,0,0,0|1,0,1]=4 2679 B9R0.10 CC(CC(=O)O)S(=O)(=O)O Amb27634850 [0,2,0,0,0,0|1,0,0]=3 2680 B9R0.10 CP(=O)(O)C(N)CC(=O)O Amb27831332 [0,2,0,0,0,0|1,0,0]=3 2681 B9R0.10 CP(=O)(O)C(N)CC(N)=O Amb27615069 [0,2,0,0,0,0|2,0,0]=4 2682 B9R0.10 C[C@H](CC(=O)O)P(=O)(O)O Amb27645396 [0,2,0,0,0,0|1,0,0]=3 2683 B9R0.11 C=C(Br)CC(C)(C)C(=O)O Amb25887722 [0,2,0,0,0,0|2,0,0]=4 2684 B9R0.11 C=C(C)C(C)(C)CC(=O)O Amb25703730 [0,2,0,0,0,0|2,0,0]=4 2685 B9R0.11 C=C(C)C(C)(N)CC(=O)O Amb22641962 [0,2,0,0,0,0|2,0,0]=4 2686 B9R0.11 C=C(C)C(C)(N)CC(=O)O Amb31307620 [0,2,0,0,0,0|2,0,0]=4 2687 B9R0.11 C=C(C)C(F)(F)CC(=O)O Amb32810021 [0,2,0,0,0,0|2,0,0]=4 2688 B9R0.11 C=C(C)CC(C)(C)C(=O)O Amb27619182 [0,2,0,0,0,0|2,0,0]=4 2689 B9R0.11 C=C(C)CC(C)(N)C(=O)O Amb27838051 [0,2,0,0,0,0|2,0,0]=4 2690 B9R0.11 C=C(C)CC(C)(O)C(=O)O Amb24763776 [0,2,0,0,0,0|2,0,0]=4 2691 B9R0.11 C=C(C)CC(F)(F)C(=O)O Amb26356276 [0,2,0,0,0,0|2,0,0]=4 2692 B9R0.11 C=C(C)C[C@](C)(O)C(=O)O Amb27618953 [0,2,0,0,0,0|2,0,0]=4 2693 B9R0.11 C=C(F)C[C@](C)(N)C(=O)O Amb27440834 [0,2,0,0,0,0|2,0,0]=4 2694 B9R0.11 CC(=O)C(C)(C)CC(=O)O Amb594714 [0,2,0,0,0,0|1,0,0]=3 2695 B9R0.11 CC(=O)C(C)(C)CC(N)=O Amb26055921 [0,2,0,0,0,0|2,0,0]=4 2696 B9R0.11 CC(=O)CC(C)(C)C(=O)O Amb18644092 [0,2,0,0,0,0|1,0,0]=3 2697 B9R0.11 CC(=O)CC(C)(C)C(=O)S Amb28201149 [0,2,0,0,0,0|1,1,0]=4 2698 B9R0.11 CC(=O)CC(C)(S)C(=O)O Amb27984551 [0,2,0,0,0,0|1,0,0]=3 2699 B9R0.11 CC(=O)C[C@](C)(O)C(=O)O Amb27170683 [0,2,0,0,0,0|1,0,0]=3 2700 B9R0.11 CC(=O)NC(C)(C)C(=O)O Amb13952726 [0,2,0,0,0,0|2,0,0]=4 2701 B9R0.11 CC(=O)NC(C)(N)C(=O)O Amb27881127 [0,2,0,0,0,0|2,0,0]=4 2702 B9R0.11 CC(=O)OC(C)(C)C(=O)O Amb18644243 [0,2,0,0,0,0|2,0,0]=4 2703 B9R0.11 CC(=O)SC(C)(C)C(=O)O Amb17607677 [0,2,0,0,0,0|2,0,0]=4 2704 B9R0.11 CC(=O)SC(F)(F)C(=O)O Amb27252817 [0,2,0,0,0,0|2,0,0]=4 2705 B9R0.11 CC(C)(CC(=O)O)C(=O)Cl Amb27449457 [0,2,0,0,0,0|1,0,0]=3 2706 B9R0.11 CC(C)(CC(=O)O)C(=O)O Amb9787793 [0,2,0,0,0,0|0,0,0]=2 2707 B9R0.11 CC(C)(CC(=O)O)C(N)=S Amb17466449 [0,2,0,0,0,0|1,1,0]=4 2708 B9R0.11 CC(C)(CC(N)=S)C(=O)O Amb27614963 [0,2,0,0,0,0|1,1,0]=4 2709 B9R0.11 CC(C)(NC(N)=O)C(=O)O Amb9825347 [0,2,0,0,0,0|2,0,0]=4 2710 B9R0.11 CC(Cl)(CC(=O)O)C(=O)O Amb18126463 [0,2,0,0,0,0|0,0,0]=2 2711 B9R0.11 CC(Cl)(CS(=O)O)C(=O)O Amb27781534 [0,2,0,0,0,0|1,0,0]=3 2712 B9R0.11 CC(N)(CC(=O)O)C(=O)O Amb10807406 [0,2,0,0,0,0|0,0,0]=2 2713 B9R0.11 CC(N)(CC(=O)O)[PH](=O)O Amb25701546 [0,2,0,0,0,0|1,0,0]=3 2714 B9R0.11 CC(N)(CC(N)=O)C(=O)O Amb28131361 [0,2,0,0,0,0|1,0,0]=3 2715 B9R0.11 CC(O)(CC(=O)O)C(=O)O Amb6366309 [0,2,0,0,0,0|0,0,0]=2 2716 B9R0.11 CC(O)CC(C)(N)C(=O)O Amb28289237 [0,2,0,0,0,0|1,0,1]=4 2717 B9R0.11 CN(O)C(C)(C)CC(=O)O Amb30025601 [0,2,0,0,0,0|2,0,0]=4 2718 B9R0.11 CN(O)CC(C)(O)C(=O)O Amb28349124 [0,2,0,0,0,0|2,0,0]=4 2719 B9R0.11 CN(O)CC(F)(F)C(=O)O Amb33169729 [0,2,0,0,0,0|2,0,0]=4 2720 B9R0.11 CS(=O)C(C)(C)CC(=O)O Amb28128345 [0,2,0,0,0,0|2,0,0]=4 2721 B9R0.11 CS(=O)CC(C)(C)C(=O)O Amb28049647 [0,2,0,0,0,0|2,0,0]=4 2722 B9R0.11 CS(=O)CC(C)(O)C(=O)O Amb27984742 [0,2,0,0,0,0|2,0,0]=4 2723 B9R0.11 CS(=O)CC(F)(F)C(=O)O Amb33169820 [0,2,0,0,0,0|2,0,0]=4 2724 B9R0.11 C[C@@](N)(CC(N)=O)C(=O)O Amb22225025 [0,2,0,0,0,0|1,0,0]=3 2725 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O Amb10601663 [0,2,0,0,0,0|0,0,0]=2 2726 B9R0.11 C[C@](N)(CC(N)=O)C(=O)O Amb27195940 [0,2,0,0,0,0|1,0,0]=3 2727 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O Amb26398856 [0,2,0,0,0,0|0,0,0]=2 2728 B9R0.11 NC(=O)CC(N)(O)C(=O)O Amb27794741 [0,2,0,0,0,0|1,0,0]=3 2729 B9R0.11 NC(=O)C[C@@](N)(O)C(=O)O Amb28348701 [0,2,0,0,0,0|1,0,0]=3 2730 B9R0.11 O=C(O)CC(Cl)(Cl)C(=O)O Amb27971430 [0,2,0,0,0,0|0,0,0]=2 2731 B9R0.11 O=C(O)CC(F)(F)C(=O)O Amb2732193 [0,2,0,0,0,0|0,0,0]=2 2732 B9R0.39 C#CC(NC(C)=O)C(=O)O Amb27411184 [0,2,0,0,0,0|2,0,0]=4 2733 B9R0.39 C#C[C@@H](NC(C)=O)C(=O)O Amb27393972 [0,2,0,0,0,0|2,0,0]=4 2734 B9R0.39 C=C(C)C(CC)CC(=O)O Amb27655611 [0,2,0,0,0,0|2,0,0]=4 2735 B9R0.39 C=C(C)C(CN)CC(=O)O Amb33199956 [0,2,0,0,0,0|2,0,0]=4 2736 B9R0.39 C=C(C)CC(C#N)C(=O)O Amb35741470 [0,2,0,0,0,0|2,0,0]=4 2737 B9R0.39 C=C(C)CC(OC)C(=O)O Amb26386702 [0,2,0,0,0,0|2,0,0]=4 2738 B9R0.39 C=C(C)C[C@@H](CC)C(=O)O Amb27785162 [0,2,0,0,0,0|2,0,0]=4 2739 B9R0.39 C=C[C@@H](NC(C)=O)C(=O)O Amb28050121 [0,2,0,0,0,0|2,0,0]=4 2740 B9R0.39 CC(=O)CC(C=O)C(=O)O Amb28048038 [0,2,0,0,0,0|1,0,0]=3 2741 B9R0.39 CC(=O)N(CC(=O)O)N=O Amb27391141 [0,2,0,0,0,0|2,0,0]=4 2742 B9R0.39 CC(=O)NC(CCl)C(=O)O Amb27494110 [0,2,0,0,0,0|2,0,0]=4 2743 B9R0.39 CC(=O)NC(CN)C(=O)O Amb28128874 [0,2,0,0,0,0|2,0,0]=4 2744 B9R0.39 CC(=O)NC(CO)C(=O)O Amb1115493 [0,2,0,0,0,0|2,0,0]=4 2745 B9R0.39 CC(=O)NC(CS)C(=O)O Amb1112748 [0,2,0,0,0,0|2,0,0]=4 2746 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O Amb22746917 [0,2,0,0,0,0|2,0,0]=4 2747 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Amb2684240 [0,2,0,0,0,0|2,0,0]=4 2748 B9R0.39 CC(=O)N[C@H](CCl)C(=O)O Amb27171775 [0,2,0,0,0,0|2,0,0]=4 2749 B9R0.39 CC(=O)N[C@H](CS)C(=O)O Amb25887589 [0,2,0,0,0,0|2,0,0]=4 2750 B9R0.39 CC(=O)OC(CCl)C(=O)O Amb27796012 [0,2,0,0,0,0|2,0,0]=4 2751 B9R0.39 CC(=O)O[C@@H](CN)C(=O)O Amb27874054 [0,2,0,0,0,0|2,0,0]=4 2752 B9R0.39 CC(O)CC(C#N)C(=O)O Amb35741473 [0,2,0,0,0,0|1,0,1]=4 2753 B9R0.39 CCC(CC(=O)Cl)C(=O)Cl Amb26921552 [0,2,0,0,0,0|2,0,0]=4 2754 B9R0.39 CCC(CC(=O)O)C(=O)O Amb10071696 [0,2,0,0,0,0|0,0,0]=2 2755 B9R0.39 CCC(CC(=O)O)C(C)O Amb18831453 [0,2,0,0,0,0|1,0,1]=4 2756 B9R0.39 CCC(CC(C)=O)C(=O)O Amb18644109 [0,2,0,0,0,0|1,0,0]=3 2757 B9R0.39 CCC(CC(C)=O)C(C)=O Amb27403023 [0,2,0,0,0,0|2,0,0]=4 2758 B9R0.39 CCC(CC(C)O)C(=O)O Amb27254121 [0,2,0,0,0,0|1,0,1]=4 2759 B9R0.39 CCC(NC(C)=O)C(=O)O Amb2099651 [0,2,0,0,0,0|2,0,0]=4 2760 B9R0.39 CCC(NC(N)=O)C(=O)O Amb435947 [0,2,0,0,0,0|2,0,0]=4 2761 B9R0.39 CCC(OC(N)=O)C(=O)O Amb28283574 [0,2,0,0,0,0|2,0,0]=4 2762 B9R0.39 CCN(CC(=O)O)C(C)=O Amb17399887 [0,2,0,0,0,0|2,0,0]=4 2763 B9R0.39 CCN(CC(=O)O)C(N)=O Amb18999255 [0,2,0,0,0,0|2,0,0]=4 2764 B9R0.39 CC[C@@H](CC(=O)O)C(=O)O Amb27830576 [0,2,0,0,0,0|0,0,0]=2 2765 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O Amb3941467 [0,2,0,0,0,0|2,0,0]=4 2766 B9R0.39 CC[C@H](CC(=O)O)C(=O)O Amb24643194 [0,2,0,0,0,0|0,0,0]=2 2767 B9R0.39 CC[C@H](NC(C)=O)C(=O)O Amb3990111 [0,2,0,0,0,0|2,0,0]=4 2768 B9R0.39 CC[C@H](OC(C)=O)C(=O)O Amb27948340 [0,2,0,0,0,0|2,0,0]=4 2769 B9R0.39 CC\C(=C/C(=O)O)C(=O)O Amb27421975 [0,2,0,0,0,0|0,0,2]=4 2770 B9R0.39 CNC(CC(=O)O)C(=O)O Amb1905634 [0,2,0,0,0,0|0,0,0]=2 2771 B9R0.39 CNC(CC(=O)O)C(=O)O Amb30867747 [0,2,0,0,0,0|0,0,0]=2 2772 B9R0.39 CNC(CC(=O)O)C(C)=O Amb18611382 [0,2,0,0,0,0|1,0,0]=3 2773 B9R0.39 CNC(CC(N)=O)C(=O)O Amb18644255 [0,2,0,0,0,0|1,0,0]=3 2774 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O Amb3499450 [0,2,0,0,0,0|0,0,0]=2 2775 B9R0.39 CN[C@H](CC(=O)O)C(=O)O Amb8515692 [0,2,0,0,0,0|0,0,0]=2 2776 B9R0.39 CN[C@H](CC(N)=O)C(=O)O Amb28049962 [0,2,0,0,0,0|1,0,0]=3 2777 B9R0.39 COC(CC(=O)O)C(C)=O Amb27952022 [0,2,0,0,0,0|1,0,0]=3 2778 B9R0.39 COC(CC(=O)O)C(N)=O Amb23536075 [0,2,0,0,0,0|1,0,0]=3 2779 B9R0.39 CO[C@H](CC(=O)O)C(=O)O Amb27849552 [0,2,0,0,0,0|0,0,0]=2 2780 B9R0.39 CSC(CC(=O)O)C(=O)O Amb18646024 [0,2,0,0,0,0|0,0,0]=2 2781 B9R0.39 C[NH2+]C(CC(=O)[O-])C(=O)[O-] Amb33512929 [0,2,0,0,0,0|0,0,2]=4 2782 B9R0.39 C\C=C(/CC(=O)O)C(=O)O Amb8631758 [0,2,0,0,0,0|0,0,1]=3 2783 B9R0.39 C\C=C(\CC(=O)O)C(=O)O Amb25292254 [0,2,0,0,0,0|0,0,1]=3 2784 B9R0.39 N#C\C(=C\C(=O)O)C(=O)O Amb28074279 [0,2,0,0,0,0|0,0,2]=4 2785 B9R0.39 N=CC(CC(=O)O)C(=O)O Amb27653604 [0,2,0,0,0,0|0,0,0]=2 2786 B9R0.39 NC(=O)CC(CO)C(=O)O Amb28411495 [0,2,0,0,0,0|1,0,0]=3 2787 B9R0.39 NC(=O)CC(NO)C(=O)O Amb27168203 [0,2,0,0,0,0|1,0,0]=3 2788 B9R0.39 NC(=O)C[C@H](NO)C(=O)O Amb28364297 [0,2,0,0,0,0|1,0,0]=3 2789 B9R0.39 NC(=O)N(CC(=O)O)N=O Amb25683110 [0,2,0,0,0,0|2,0,0]=4 2790 B9R0.39 NC(=O)NC(CF)C(=O)O Amb28187932 [0,2,0,0,0,0|2,0,0]=4 2791 B9R0.39 NC(=O)NC(CO)C(=O)O Amb1055147 [0,2,0,0,0,0|2,0,0]=4 2792 B9R0.39 NC(=O)NC(CS)C(=O)O Amb1119403 [0,2,0,0,0,0|2,0,0]=4 2793 B9R0.39 NC(=O)N[C@@H](CF)C(=O)O Amb26454171 [0,2,0,0,0,0|2,0,0]=4 2794 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O Amb17610484 [0,2,0,0,0,0|2,0,0]=4 2795 B9R0.39 NCC(CC(=O)O)C(=O)O Amb22546423 [0,2,0,0,0,0|0,0,0]=2 2796 B9R0.39 NCC(CC(=O)O)C(=O)O Amb24538047 [0,2,0,0,0,0|0,0,0]=2 2797 B9R0.39 NNC(CC(=O)O)C(=O)O Amb28070991 [0,2,0,0,0,0|0,0,0]=2 2798 B9R0.39 NN[C@@H](CC(=O)O)C(=O)O Amb24117193 [0,2,0,0,0,0|0,0,0]=2 2799 B9R0.39 N\C=C(\CC(=O)O)C(=O)O Amb28050321 [0,2,0,0,0,0|0,0,1]=3 2800 B9R0.39 O=C(O)CC(CBr)C(=O)O Amb22752144 [0,2,0,0,0,0|0,0,0]=2 2801 B9R0.39 O=C(O)CC(CF)C(=O)O Amb33379249 [0,2,0,0,0,0|0,0,0]=2 2802 B9R0.39 O=C(O)CC(NCl)C(=O)O Amb27953217 [0,2,0,0,0,0|0,0,0]=2 2803 B9R0.39 O=C(O)CC(NO)C(=O)O Amb24685872 [0,2,0,0,0,0|0,0,0]=2 2804 B9R0.39 O=C(O)CC(NS)C(=O)O Amb25808901 [0,2,0,0,0,0|0,0,0]=2 2805 B9R0.39 O=C(O)C[C@H](NCl)C(=O)O Amb27401859 [0,2,0,0,0,0|0,0,0]=2 2806 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24117497 [0,2,0,0,0,0|0,0,0]=2 2807 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24630025 [0,2,0,0,0,0|0,0,0]=2 2808 B9R0.39 O=C(O)C\C(=N/O)C(=O)O Amb24117074 [0,2,0,0,0,0|0,0,1]=3 2809 B9R0.39 O=C(O)C\C(=N\O)C(=O)O Amb27828721 [0,2,0,0,0,0|0,0,1]=3 2810 B9R0.39 O=C\C(=C/C(=O)O)C(=O)O Amb18644051 [0,2,0,0,0,0|0,0,2]=4 2811 B9R0.57 CC(C)(O)CC(N)C(=O)O Amb18644326 [0,2,0,0,0,0|1,0,1]=4 2812 B9R0.57 CC(C)(O)CC(O)C(=O)O Amb27953570 [0,2,0,0,0,0|1,0,1]=4 2813 B9R0.57 CC(C)(O)C[C@@H](N)C(=O)O Amb24479570 [0,2,0,0,0,0|1,0,1]=4 2814 B9R0.57 CC(C)(O)C[C@@H](O)C(=O)O Amb27254266 [0,2,0,0,0,0|1,0,1]=4 2815 B9R0.57 CC(C)(O)C[C@H](N)C(=O)O Amb25992355 [0,2,0,0,0,0|1,0,1]=4 2816 B9R0.57 CC(CP(=O)(O)O)C(=O)O Amb27878703 [0,2,0,0,0,0|1,0,0]=3 2817 B9R0.57 CC(CP(C)(C)=O)C(=O)O Amb28050894 [0,2,0,0,0,0|2,0,0]=4 2818 B9R0.57 CC(CS(C)(=O)=O)C(=O)O Amb18971622 [0,2,0,0,0,0|1,0,1]=4 2819 B9R0.57 CC(CS(N)(=O)=O)C(=O)O Amb18563379 [0,2,0,0,0,0|1,0,1]=4 2820 B9R0.57 CC(OP(=O)(O)O)C(=O)O Amb28458452 [0,2,0,0,0,0|2,0,0]=4 2821 B9R0.57 CP(=O)(O)CC(N)C(=O)O Amb27770381 [0,2,0,0,0,0|1,0,0]=3 2822 B9R0.57 CS(=O)(=O)CC(Cl)C(=O)O Amb27257814 [0,2,0,0,0,0|1,0,1]=4 2823 B9R0.57 CS(=O)(=O)CC(N)C(=O)O Amb27983621 [0,2,0,0,0,0|1,0,1]=4 2824 B9R0.57 CS(=O)(=O)CC(N)C(=O)O Amb32753509 [0,2,0,0,0,0|1,0,1]=4 2825 B9R0.57 CS(=O)(=O)CC(O)C(=O)O Amb24398186 [0,2,0,0,0,0|1,0,1]=4 2826 B9R0.57 CS(=O)(=O)C[C@@H](N)C(=O)O Amb27831327 [0,2,0,0,0,0|1,0,1]=4 2827 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O Amb27231797 [0,2,0,0,0,0|1,0,1]=4 2828 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O Amb32683294 [0,2,0,0,0,0|1,0,1]=4 2829 B9R0.57 C[Si](C)(O)C[C@H](N)C(=O)O Amb27408998 [0,2,0,0,0,0|1,1,0]=4 2830 B9R0.57 NC(CP(=O)(O)O)C(=O)O Amb542762 [0,2,0,0,0,0|1,0,0]=3 2831 B9R0.57 NC(CP(O)(O)=S)C(=O)O Amb27232821 [0,2,0,0,0,0|1,0,1]=4 2832 B9R0.57 NC(CS(=O)(=O)Cl)C(=O)O Amb28367339 [0,2,0,0,0,0|1,0,1]=4 2833 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Amb2698240 [0,2,0,0,0,0|1,0,0]=3 2834 B9R0.57 NC(CS(=O)(=O)S)C(=O)O Amb27982339 [0,2,0,0,0,0|1,0,1]=4 2835 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O Amb2719731 [0,2,0,0,0,0|1,0,0]=3 2836 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O Amb17942867 [0,2,0,0,0,0|1,0,0]=3 2837 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O Amb3940873 [0,2,0,0,0,0|1,0,0]=3 2838 B9R0.57 N[C@@H](CS(N)(=O)=O)C(=O)O Amb26342340 [0,2,0,0,0,0|1,0,1]=4 2839 B9R0.57 N[C@H](CP(=O)(O)O)C(=O)O Amb8515685 [0,2,0,0,0,0|1,0,0]=3 2840 B9R0.57 O=C(O)C(=O)CS(=O)(=O)O Amb26352119 [0,2,0,0,0,0|1,0,1]=4 2841 B9R0.57 O=C(O)C(O)CP(=O)(O)O Amb27166079 [0,2,0,0,0,0|1,0,0]=3 2842 B9R0.57 O=C(O)C(O)CS(=O)(=O)O Amb20247567 [0,2,0,0,0,0|1,0,0]=3 2843 B9R0.79 C=C(C)C(C)C(C)C(=O)O Amb28042819 [0,2,0,0,0,0|2,0,0]=4 2844 B9R0.79 C=C(C)C(N)C(C)C(=O)O Amb33036349 [0,2,0,0,0,0|2,0,0]=4 2845 B9R0.79 C=C(C)C(O)C(C)C(=O)O Amb18644101 [0,2,0,0,0,0|2,0,0]=4 2846 B9R0.79 C=C(C)C(O)C(N)C(=O)O Amb33199606 [0,2,0,0,0,0|2,0,0]=4 2847 B9R0.79 C=C(C)[C@@H](C)[C@@H](C)C(=O)O Amb28050111 [0,2,0,0,0,0|2,0,0]=4 2848 B9R0.79 C=C(C)[C@@H](O)[C@@H](C)C(=O)O Amb28283987 [0,2,0,0,0,0|2,0,0]=4 2849 B9R0.79 CC(=O)C(C)C(C)C(C)=O Amb4016940 [0,2,0,0,0,0|2,0,0]=4 2850 B9R0.79 CC(=O)C(C)C(N)C(=O)O Amb18202116 [0,2,0,0,0,0|1,0,0]=3 2851 B9R0.79 CC(=O)C(C)C(N)C(N)=O Amb27613013 [0,2,0,0,0,0|2,0,0]=4 2852 B9R0.79 CC(=O)C(Cl)C(=O)C(=O)O Amb27600115 [0,2,0,0,0,0|1,0,1]=4 2853 B9R0.79 CC(=O)C(O)C(O)C(=O)O Amb25292189 [0,2,0,0,0,0|1,0,0]=3 2854 B9R0.79 CC(=O)C(O)C(O)C(C)=O Amb17593650 [0,2,0,0,0,0|2,0,0]=4 2855 B9R0.79 CC(=O)N(Cl)[C@@H](C)C(=O)O Amb28458454 [0,2,0,0,0,0|2,0,0]=4 2856 B9R0.79 CC(=O)[C@@H](C)[C@@H](O)C(=O)O Amb27661780 [0,2,0,0,0,0|1,0,0]=3 2857 B9R0.79 CC(=O)[C@@H](C)[C@H](O)C(=O)O Amb28050113 [0,2,0,0,0,0|1,0,0]=3 2858 B9R0.79 CC(=O)[C@H](C)[C@@H](C)C(C)=O Amb28202186 [0,2,0,0,0,0|2,0,0]=4 2859 B9R0.79 CC(=O)[C@H](C)[C@H](N)C(=O)O Amb27424983 [0,2,0,0,0,0|1,0,0]=3 2860 B9R0.79 CC(=S)[C@H](C)[C@H](N)C(=O)O Amb26642807 [0,2,0,0,0,0|1,1,0]=4 2861 B9R0.79 CC(C(=O)Cl)C(C)C(=O)Cl Amb22347385 [0,2,0,0,0,0|2,0,0]=4 2862 B9R0.79 CC(C(=O)O)C(Br)C(=O)O Amb2612973 [0,2,0,0,0,0|0,0,0]=2 2863 B9R0.79 CC(C(=O)O)C(C)C(=O)O Amb8513150 [0,2,0,0,0,0|0,0,0]=2 2864 B9R0.79 CC(C(=O)O)C(N)C(=O)O Amb2099482 [0,2,0,0,0,0|0,0,0]=2 2865 B9R0.79 CC(C(=O)O)C(O)C(=O)O Amb17593680 [0,2,0,0,0,0|0,0,0]=2 2866 B9R0.79 CC(C(N)=O)C(C)C(N)=O Amb28248514 [0,2,0,0,0,0|2,0,0]=4 2867 B9R0.79 CC(O)C(C)C(C)C(=O)O Amb28059349 [0,2,0,0,0,0|1,0,1]=4 2868 B9R0.79 CC(O)C(C)C(N)C(=O)O Amb21953714 [0,2,0,0,0,0|1,0,1]=4 2869 B9R0.79 CC(O)C(C)[C@@H](N)C(=O)O Amb22800202 [0,2,0,0,0,0|1,0,1]=4 2870 B9R0.79 CC(O)C(C)[C@H](N)C(=O)O Amb27390194 [0,2,0,0,0,0|1,0,1]=4 2871 B9R0.79 CC(O)C(O)C(N)C(=O)O Amb27210841 [0,2,0,0,0,0|1,0,1]=4 2872 B9R0.79 CC(O)[C@@H](C)[C@@H](N)C(=O)O Amb33524291 [0,2,0,0,0,0|1,0,1]=4 2873 B9R0.79 C[C@@H](C(=O)O)C(N)C(=O)O Amb27877897 [0,2,0,0,0,0|0,0,0]=2 2874 B9R0.79 C[C@@H](C(=O)O)[C@@H](N)C(=O)O Amb27170727 [0,2,0,0,0,0|0,0,0]=2 2875 B9R0.79 C[C@@H](C(=O)O)[C@H](N)C(=O)O Amb25324829 [0,2,0,0,0,0|0,0,0]=2 2876 B9R0.79 C[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27243908 [0,2,0,0,0,0|0,0,0]=2 2877 B9R0.79 C[C@@H](O)[C@H](C)[C@@H](N)C(=O)O Amb27252085 [0,2,0,0,0,0|1,0,1]=4 2878 B9R0.79 C[C@@H](O)[C@H](C)[C@H](N)C(=O)O Amb17615448 [0,2,0,0,0,0|1,0,1]=4 2879 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O Amb22801175 [0,2,0,0,0,0|0,0,0]=2 2880 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(N)=O Amb27771245 [0,2,0,0,0,0|1,0,0]=3 2881 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb27783086 [0,2,0,0,0,0|0,0,0]=2 2882 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb31031234 [0,2,0,0,0,0|0,0,0]=2 2883 B9R0.79 C[C@H](C(=O)O)[C@H](Br)C(=O)O Amb27463297 [0,2,0,0,0,0|0,0,0]=2 2884 B9R0.79 C[C@H](C(=O)O)[C@H](C)C(=O)O Amb27460990 [0,2,0,0,0,0|0,0,0]=2 2885 B9R0.79 C[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27955233 [0,2,0,0,0,0|0,0,0]=2 2886 B9R0.79 C[C@H](C(N)=O)[C@H](C)C(N)=O Amb27220901 [0,2,0,0,0,0|2,0,0]=4 2887 B9R0.79 C[C@H](O)[C@@H](C)[C@@H](N)C(=O)O Amb27655509 [0,2,0,0,0,0|1,0,1]=4 2888 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O Amb27595659 [0,2,0,0,0,0|1,0,1]=4 2889 B9R0.79 C[C@H](O)[C@H](O)[C@@H](O)C(=O)O Amb27592166 [0,2,0,0,0,0|1,0,1]=4 2890 B9R0.79 C[C@H]([C@@H](C)O)[C@@H](N)C(=O)O Amb25693814 [0,2,0,0,0,0|1,0,1]=4 2891 B9R0.79 C\C(C(=O)O)=C(/Cl)C(=O)O Amb27858839 [0,2,0,0,0,0|0,0,2]=4 2892 B9R0.79 C\C(C(=O)O)=C(\C)C(=O)O Amb24712245 [0,2,0,0,0,0|0,0,2]=4 2893 B9R0.79 C\C(C(=O)O)=C(\O)C(=O)O Amb27867258 [0,2,0,0,0,0|0,0,2]=4 2894 B9R0.79 NC(=O)C(N)C(N)C(=O)O Amb27424997 [0,2,0,0,0,0|1,0,0]=3 2895 B9R0.79 NC(=O)C(O)C(O)C(=O)O Amb24112928 [0,2,0,0,0,0|1,0,0]=3 2896 B9R0.79 NC(=O)C(O)C(O)C(N)=O Amb2842263 [0,2,0,0,0,0|2,0,0]=4 2897 B9R0.79 NC(=O)[C@@H](N)[C@@H](O)C(N)=O Amb27259156 [0,2,0,0,0,0|2,0,0]=4 2898 B9R0.79 NC(=O)[C@@H](N)[C@H](O)C(N)=O Amb28126957 [0,2,0,0,0,0|2,0,0]=4 2899 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(=O)O Amb24763774 [0,2,0,0,0,0|1,0,0]=3 2900 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(=O)O Amb28341817 [0,2,0,0,0,0|1,0,0]=3 2901 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(N)=O Amb24385859 [0,2,0,0,0,0|2,0,0]=4 2902 B9R0.79 NC(C(=O)O)C(F)C(=O)O Amb24061061 [0,2,0,0,0,0|0,0,0]=2 2903 B9R0.79 NC(C(=O)O)C(N)C(=O)O Amb24117894 [0,2,0,0,0,0|0,0,0]=2 2904 B9R0.79 NC(C(=O)O)C(O)C(=O)O Amb9871461 [0,2,0,0,0,0|0,0,0]=2 2905 B9R0.79 N[C@@H](C(=O)O)C(F)C(=O)O Amb27494927 [0,2,0,0,0,0|0,0,0]=2 2906 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O Amb17942870 [0,2,0,0,0,0|0,0,0]=2 2907 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27470435 [0,2,0,0,0,0|0,0,0]=2 2908 B9R0.79 N[C@H](C(=O)O)C(F)C(=O)O Amb27796116 [0,2,0,0,0,0|0,0,0]=2 2909 B9R0.79 N[C@H](C(=O)O)[C@@H](F)C(=O)O Amb27865514 [0,2,0,0,0,0|0,0,0]=2 2910 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O Amb10072362 [0,2,0,0,0,0|0,0,0]=2 2911 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24087715 [0,2,0,0,0,0|0,0,0]=2 2912 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24117974 [0,2,0,0,0,0|0,0,0]=2 2913 B9R0.79 N[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27796563 [0,2,0,0,0,0|0,0,0]=2 2914 B9R0.79 N[C@H](C(=O)O)[C@H](F)C(=O)O Amb26945975 [0,2,0,0,0,0|0,0,0]=2 2915 B9R0.79 N[C@H](C(=O)O)[C@H](N)C(=O)O Amb27173533 [0,2,0,0,0,0|0,0,0]=2 2916 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb17615140 [0,2,0,0,0,0|0,0,0]=2 2917 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb33714683 [0,2,0,0,0,0|0,0,0]=2 2918 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O Amb2686761 [0,2,0,0,0,0|0,0,0]=2 2919 B9R0.79 O=C(O)C(Cl)C(Cl)C(=O)O Amb26345874 [0,2,0,0,0,0|0,0,0]=2 2920 B9R0.79 O=C(O)C(F)C(Cl)C(=O)O Amb27875188 [0,2,0,0,0,0|0,0,0]=2 2921 B9R0.79 O=C(O)C(O)C(Cl)C(=O)O Amb17594225 [0,2,0,0,0,0|0,0,0]=2 2922 B9R0.79 O=C(O)C(O)C(F)C(=O)O Amb24479232 [0,2,0,0,0,0|0,0,0]=2 2923 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb24668916 [0,2,0,0,0,0|0,0,0]=2 2924 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb6608787 [0,2,0,0,0,0|0,0,0]=2 2925 B9R0.79 O=C(O)C(O)C(O)C(=O)S Amb28050895 [0,2,0,0,0,0|0,1,0]=3 2926 B9R0.79 O=C(O)C(S)C(S)C(=O)O Amb8627761 [0,2,0,0,0,0|0,0,0]=2 2927 B9R0.79 O=C(O)[C@@H](Cl)[C@H](O)C(=O)O Amb27845392 [0,2,0,0,0,0|0,0,0]=2 2928 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O Amb22230832 [0,2,0,0,0,0|0,0,0]=2 2929 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb17616192 [0,2,0,0,0,0|0,0,0]=2 2930 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb19884028 [0,2,0,0,0,0|0,0,0]=2 2931 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22750609 [0,2,0,0,0,0|0,0,0]=2 2932 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22756774 [0,2,0,0,0,0|0,0,0]=2 2933 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb34915014 [0,2,0,0,0,0|0,0,0]=2 2934 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb5722339 [0,2,0,0,0,0|0,0,0]=2 2935 B9R0.79 O=C(O)[C@@H](S)[C@H](S)C(=O)O Amb28195042 [0,2,0,0,0,0|0,0,0]=2 2936 B9R0.79 O=C(O)[C@H](Br)[C@H](F)C(=O)O Amb28050029 [0,2,0,0,0,0|0,0,0]=2 2937 B9R0.79 O=C(O)[C@H](F)[C@H](F)C(=O)O Amb28365940 [0,2,0,0,0,0|0,0,0]=2 2938 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb19884026 [0,2,0,0,0,0|0,0,0]=2 2939 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20240604 [0,2,0,0,0,0|0,0,0]=2 2940 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20670711 [0,2,0,0,0,0|0,0,0]=2 2941 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb34915016 [0,2,0,0,0,0|0,0,0]=2 2942 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb8628435 [0,2,0,0,0,0|0,0,0]=2 2943 B9R0.79 O=C(O)[C@H](O)[C@H](Br)C(=O)O Amb28252354 [0,2,0,0,0,0|0,0,0]=2 2944 B9R0.79 O=C(O)[C@H](O)[C@H](Cl)C(=O)O Amb27477747 [0,2,0,0,0,0|0,0,0]=2 2945 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Amb8393135 [0,2,0,0,0,0|0,0,0]=2 2946 B9R0.79 O=C(O)\C(Br)=C(/Br)C(=O)O Amb27465194 [0,2,0,0,0,0|0,0,2]=4 2947 B9R0.79 O=C(O)\C(Br)=C(\Br)C(=O)O Amb22347940 [0,2,0,0,0,0|0,0,2]=4 2948 B9R0.79 O=C(O)\C(O)=C(/O)C(=O)O Amb18511532 [0,2,0,0,0,0|0,0,2]=4 2949 B9R0.79 O=C(O)\C(O)=C(/O)C(=O)O Amb33802774 [0,2,0,0,0,0|0,0,2]=4 2950 B9R0.79 O=C(O)\C(O)=C(\O)C(=O)O Amb17593679 [0,2,0,0,0,0|0,0,2]=4 2951 B9R0.79 O=C([O-])C(O)C(O)C(=O)O Amb20246422 [0,2,0,0,0,0|0,0,1]=3 2952 B9R0.79 O=C([O-])C(O)C(O)C(=O)O Amb8517447 [0,2,0,0,0,0|0,0,1]=3 2953 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] Amb19959974 [0,2,0,0,0,0|0,0,2]=4 2954 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] Amb8514450 [0,2,0,0,0,0|0,0,2]=4 2955 B9R0.79 O=C([O-])[C@@H](O)[C@H](O)C(=O)[O-] Amb32414666 [0,2,0,0,0,0|0,0,2]=4 2956 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O Amb34915846 [0,2,0,0,0,0|0,0,1]=3 2957 B9R0.77 CP(=O)(O)CCP(C)(=O)O Amb26350032 [0,2,0,0,0,0|2,0,0]=4 2958 B9R0.77 O=P(O)(O)CCP(=O)(O)O Amb10068659 [0,2,0,0,0,0|2,0,0]=4 2959 B9R0.77 O=S(=O)(O)CCS(=O)(=O)O Amb17673404 [0,2,0,0,0,0|2,0,0]=4 2960 B9R0.77 O=S(=O)(O)CCS(=O)(=O)O Amb33987874 [0,2,0,0,0,0|2,0,0]=4 2961 B9R0.77 O=S(=O)(O)CCS(=O)(=O)O Amb8517454 [0,2,0,0,0,0|2,0,0]=4 2962 B7R1.2 CC1=CC(=O)CC1 Amb6608696 [1,0,0,1,0,0|2,0,0]=4 2963 B7R1.2 CC1=NCC(=O)O1 Amb27783804 [1,0,0,1,0,0|2,0,0]=4 2964 B7R1.2 CC1CCC(=O)O1 Amb6298321 [1,0,0,1,0,0|1,0,1]=4 2965 B7R1.2 C[C@@H]1CCC(=O)O1 Amb4166301 [1,0,0,1,0,0|1,0,1]=4 2966 B7R1.2 C[C@H]1CCC(=O)O1 Amb26539040 [1,0,0,1,0,0|1,0,1]=4 2967 B7R1.2 NC1=CC(=O)CC1 Amb9753541 [1,0,0,1,0,0|2,0,0]=4 2968 B7R1.2 NC1CCC(=O)O1 Amb17593085 [1,0,0,1,0,0|1,0,1]=4 2969 B7R1.2 O=C1C=C(Br)CC1 Amb23399816 [1,0,0,1,0,0|2,0,0]=4 2970 B7R1.2 O=C1C=C(Cl)CC1 Amb9753542 [1,0,0,1,0,0|2,0,0]=4 2971 B7R1.2 O=C1C=C(O)CC1 Amb9901808 [1,0,0,1,0,0|1,0,0]=3 2972 B7R1.2 O=C1C=C(O)CN1 Amb20623530 [1,0,0,1,0,0|2,0,0]=4 2973 B7R1.2 O=C1C=C(O)CO1 Amb628324 [1,0,0,1,0,0|2,0,0]=4 2974 B7R1.2 O=C1C=CC(=O)O1 Amb20246531 [1,0,0,1,0,0|0,0,2]=4 2975 B7R1.2 O=C1C=CC(=O)O1 Amb6297783 [1,0,0,1,0,0|0,0,2]=4 2976 B7R1.2 O=C1CCC(=O)C1 Amb2696524 [1,0,0,1,0,0|1,0,0]=3 2977 B7R1.2 O=C1CCC(=O)N1 Amb2793049 [1,0,0,1,0,0|1,0,0]=3 2978 B7R1.2 O=C1CCC(=O)O1 Amb2793017 [1,0,0,1,0,0|0,0,0]=2 2979 B7R1.2 O=C1CCC(=O)S1 Amb2691584 [1,0,0,1,0,0|0,1,0]=3 2980 B7R1.2 O=C1CCC(=S)N1 Amb28122939 [1,0,0,1,0,0|1,1,0]=4 2981 B7R1.2 O=C1CCC(Br)O1 Amb24556526 [1,0,0,1,0,0|1,0,1]=4 2982 B7R1.2 O=C1CCC(Cl)O1 Amb27477474 [1,0,0,1,0,0|1,0,1]=4 2983 B7R1.2 O=C1CCC(O)C1 Amb22057378 [1,0,0,1,0,0|1,0,1]=4 2984 B7R1.2 O=C1CCC(O)O1 Amb22740957 [1,0,0,1,0,0|0,0,1]=3 2985 B7R1.2 O=C1CCS(=O)C1 Amb27199097 [1,0,0,1,0,0|2,0,0]=4 2986 B7R1.2 O=C1CC[C@@H](O)C1 Amb27432638 [1,0,0,1,0,0|1,0,1]=4 2987 B7R1.2 O=C1CC[C@@H](O)N1 Amb27458284 [1,0,0,1,0,0|1,0,1]=4 2988 B7R1.2 O=C1CC[C@H](O)C1 Amb27804552 [1,0,0,1,0,0|1,0,1]=4 2989 B7R1.2 O=C1CC[C@H](O)N1 Amb27881572 [1,0,0,1,0,0|1,0,1]=4 2990 B7R1.2 O=C1CNC(=O)C1 Amb18202984 [1,0,0,1,0,0|2,0,0]=4 2991 B7R1.2 O=C1CNC(=O)N1 Amb3598086 [1,0,0,1,0,0|2,0,0]=4 2992 B7R1.2 O=C1CNC(=O)O1 Amb2695392 [1,0,0,1,0,0|1,0,0]=3 2993 B7R1.2 O=C1CNC(=O)S1 Amb22372196 [1,0,0,1,0,0|1,1,0]=4 2994 B7R1.2 O=C1CNC(=S)O1 Amb27393154 [1,0,0,1,0,0|1,1,0]=4 2995 B7R1.2 O=C1COC(=O)C1 Amb2721303 [1,0,0,1,0,0|2,0,0]=4 2996 B7R1.2 O=C1COC(=O)N1 Amb1625991 [1,0,0,1,0,0|2,0,0]=4 2997 B7R1.2 O=C1COC(=O)O1 Amb27837383 [1,0,0,1,0,0|1,0,0]=3 2998 B7R1.2 O=C1COC(=O)[N-]1 Amb32656005 [1,0,0,1,0,0|2,0,0]=4 2999 B7R1.2 O=C1CSC(=O)C1 Amb22731927 [1,0,0,1,0,0|2,0,0]=4 3000 B7R1.2 O=C1CSC(=O)N1 Amb1853667 [1,0,0,1,0,0|2,0,0]=4 3001 B7R1.2 O=C1CSC(=O)[N-]1 Amb435911 [1,0,0,1,0,0|2,0,0]=4 3002 B7R1.2 O=C1OC(O)CS1 Amb28066979 [1,0,0,1,0,0|1,0,1]=4 3003 B7R1.3 O=C1CCC=CN1 Amb26365285 [1,0,0,1,0,0|2,0,0]=4 3004 B7R1.3 O=C1CCCCO1 Amb8513592 [1,0,0,1,0,0|1,0,1]=4 3005 B7R1.3 O=C1CCCOC1 Amb19373430 [1,0,0,1,0,0|1,0,1]=4 3006 B7R1.3 O=C1CCCON1 Amb26560803 [1,0,0,1,0,0|1,0,1]=4 3007 B7R1.10 C=C1CC(C=O)C1 Amb22896623 [1,0,0,1,0,0|2,0,0]=4 3008 B7R1.10 C=CC1CC(=O)C1 Amb26409138 [1,0,0,1,0,0|2,0,0]=4 3009 B7R1.10 C=CC1CC(=O)N1 Amb26507633 [1,0,0,1,0,0|2,0,0]=4 3010 B7R1.10 C=C[C@@H]1CC(=O)N1 Amb27589344 [1,0,0,1,0,0|2,0,0]=4 3011 B7R1.10 O=C1CC(CBr)O1 Amb26981027 [1,0,0,1,0,0|1,0,1]=4 3012 B7R1.10 O=C1CC(CCl)O1 Amb28322279 [1,0,0,1,0,0|1,0,1]=4 3013 B7R1.10 O=C1CC(CO)C1 Amb16231082 [1,0,0,1,0,0|1,0,1]=4 3014 B7R1.10 O=C1CC(CO)N1 Amb22388379 [1,0,0,1,0,0|1,0,1]=4 3015 B7R1.10 O=C1C[C@H](CO)N1 Amb26887642 [1,0,0,1,0,0|1,0,1]=4 3016 B7R1.10 O=CC1CC(O)C1 Amb33512133 [1,0,0,1,0,0|1,0,1]=4 3017 B7R1.12 C=C1CC1C(=O)O Amb9774969 [1,0,0,1,0,0|1,0,0]=3 3018 B7R1.12 C=C1CC1C(N)=O Amb28191145 [1,0,0,1,0,0|2,0,0]=4 3019 B7R1.12 CC1=CC1C(=O)O Amb27157805 [1,0,0,1,0,0|1,0,1]=4 3020 B7R1.12 CC1CC1C(=O)O Amb9703126 [1,0,0,1,0,0|1,0,1]=4 3021 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O Amb25851678 [1,0,0,1,0,0|1,0,1]=4 3022 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Amb22735875 [1,0,0,1,0,0|1,0,1]=4 3023 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Amb22735974 [1,0,0,1,0,0|1,0,1]=4 3024 B7R1.12 C[C@H]1C[C@H]1C(=O)O Amb16233326 [1,0,0,1,0,0|1,0,1]=4 3025 B7R1.12 NC1CC1C(=O)O Amb7762823 [1,0,0,1,0,0|1,0,1]=4 3026 B7R1.12 N[C@@H]1C[C@@H]1C(=O)O Amb25708637 [1,0,0,1,0,0|1,0,1]=4 3027 B7R1.12 N[C@H]1C[C@H]1C(=O)O Amb27630656 [1,0,0,1,0,0|1,0,1]=4 3028 B7R1.12 O=C(Cl)C1CC1=O Amb27838228 [1,0,0,1,0,0|1,0,0]=3 3029 B7R1.12 O=C(O)C1CC1Br Amb27760446 [1,0,0,1,0,0|1,0,1]=4 3030 B7R1.12 O=C(O)C1CC1Cl Amb28289730 [1,0,0,1,0,0|1,0,1]=4 3031 B7R1.12 O=C(O)C1CC1F Amb22490547 [1,0,0,1,0,0|1,0,1]=4 3032 B7R1.12 O=C(O)C1CC1I Amb26047069 [1,0,0,1,0,0|1,0,1]=4 3033 B7R1.12 O=C(O)C1CC1S Amb20246988 [1,0,0,1,0,0|0,1,1]=4 3034 B7R1.12 O=C(O)[C@@H]1CC1I Amb27616342 [1,0,0,1,0,0|1,0,1]=4 3035 B7R1.12 O=C(O)[C@@H]1C[C@@H]1Br Amb27232903 [1,0,0,1,0,0|1,0,1]=4 3036 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F Amb22737600 [1,0,0,1,0,0|1,0,1]=4 3037 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F Amb33716967 [1,0,0,1,0,0|1,0,1]=4 3038 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I Amb22756600 [1,0,0,1,0,0|1,0,1]=4 3039 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br Amb24570997 [1,0,0,1,0,0|1,0,1]=4 3040 B7R1.12 O=C(O)[C@@H]1C[C@H]1Cl Amb28252777 [1,0,0,1,0,0|1,0,1]=4 3041 B7R1.12 O=C(O)[C@@H]1C[C@H]1F Amb22737604 [1,0,0,1,0,0|1,0,1]=4 3042 B7R1.12 O=C(O)[C@@H]1C[C@H]1I Amb26636211 [1,0,0,1,0,0|1,0,1]=4 3043 B7R1.12 O=C(O)[C@H]1C[C@@H]1Cl Amb27655606 [1,0,0,1,0,0|1,0,1]=4 3044 B7R1.12 O=C(O)[C@H]1C[C@@H]1F Amb22736113 [1,0,0,1,0,0|1,0,1]=4 3045 B7R1.12 O=C(O)[C@H]1C[C@@H]1I Amb27968689 [1,0,0,1,0,0|1,0,1]=4 3046 B7R1.12 O=C(O)[C@H]1C[C@H]1F Amb22738580 [1,0,0,1,0,0|1,0,1]=4 3047 B7R1.12 O=C(O)[C@H]1C[C@H]1I Amb22736654 [1,0,0,1,0,0|1,0,1]=4 3048 B7R1.18 O=C(O)C1CCC1 Amb2686619 [1,0,0,1,0,0|1,0,1]=4 3049 B7R1.18 O=C(O)C1CCN1 Amb2371568 [1,0,0,1,0,0|1,0,1]=4 3050 B7R1.18 O=C(O)C1CCN1 Amb8391098 [1,0,0,1,0,0|1,0,1]=4 3051 B7R1.18 O=C(O)C1CCO1 Amb2383526 [1,0,0,1,0,0|0,0,1]=3 3052 B7R1.18 O=C(O)C1CCS1 Amb27209836 [1,0,0,1,0,0|0,1,1]=4 3053 B7R1.18 O=C(O)C1CNC1 Amb2444164 [1,0,0,1,0,0|2,0,0]=4 3054 B7R1.18 O=C(O)C1CNC1 Amb8384273 [1,0,0,1,0,0|2,0,0]=4 3055 B7R1.18 O=C(O)C1COC1 Amb33542663 [1,0,0,1,0,0|2,0,0]=4 3056 B7R1.18 O=C(O)C1CSC1 Amb20171470 [1,0,0,1,0,0|2,0,0]=4 3057 B7R1.18 O=C(O)[C@@H]1CCN1 Amb2698263 [1,0,0,1,0,0|1,0,1]=4 3058 B7R1.18 O=C(O)[C@@H]1CCN1 Amb8631077 [1,0,0,1,0,0|1,0,1]=4 3059 B7R1.18 O=C(O)[C@@H]1CCO1 Amb33482870 [1,0,0,1,0,0|0,0,1]=3 3060 B7R1.18 O=C(O)[C@H]1CCN1 Amb2698264 [1,0,0,1,0,0|1,0,1]=4 3061 B7R1.18 O=C(O)[C@H]1CCN1 Amb33801322 [1,0,0,1,0,0|1,0,1]=4 3062 B7R1.18 O=C(O)[C@H]1CCO1 Amb33483353 [1,0,0,1,0,0|0,0,1]=3 3063 B7R1.20 O=C(O)CC1CC1 Amb2686657 [1,0,0,1,0,0|1,0,1]=4 3064 B7R1.20 O=C(O)CC1CO1 Amb25244347 [1,0,0,1,0,0|0,0,1]=3 3065 B7R1.20 O=C(O)C[C@@H]1CO1 Amb27253415 [1,0,0,1,0,0|0,0,1]=3 3066 B7R1.20 O=C(O)C[C@H]1CO1 Amb26068484 [1,0,0,1,0,0|0,0,1]=3 3067 B9R1.35 C=C(C)C1CNC(=O)O1 Amb33199198 [0,0,0,1,0,1|2,0,0]=4 3068 B9R1.35 C=C1CCC(C(=O)O)C1 Amb28369274 [0,0,0,1,0,1|2,0,0]=4 3069 B9R1.35 C=C1CN[C@@H](C(=O)O)C1 Amb27795857 [0,0,0,1,0,1|2,0,0]=4 3070 B9R1.35 C=C1CN[C@H](C(=O)O)C1 Amb27400250 [0,0,0,1,0,1|2,0,0]=4 3071 B9R1.35 CC(=O)C1CCC(=O)C1 Amb24423910 [0,0,0,1,0,1|2,0,0]=4 3072 B9R1.35 CC(=O)C1CCC(=O)O1 Amb3428694 [0,0,0,1,0,1|1,0,0]=3 3073 B9R1.35 CC(=O)C1CN=C(C)O1 Amb26529070 [0,0,0,1,0,1|2,0,0]=4 3074 B9R1.35 CC(=O)C1CNC(=O)C1 Amb27488585 [0,0,0,1,0,1|2,0,0]=4 3075 B9R1.35 CC(=O)N1CCC(=O)C1 Amb18832698 [0,0,0,1,0,1|2,0,0]=4 3076 B9R1.35 CC(=O)N1CCC(=O)N1 Amb32721860 [0,0,0,1,0,1|2,0,0]=4 3077 B9R1.35 CC(=O)[C@@H]1CCC(=O)C1 Amb24407171 [0,0,0,1,0,1|2,0,0]=4 3078 B9R1.35 CC(=O)[C@@H]1CCC(=O)N1 Amb27167616 [0,0,0,1,0,1|2,0,0]=4 3079 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 Amb24182046 [0,0,0,1,0,1|1,0,0]=3 3080 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 Amb26590768 [0,0,0,1,0,1|2,0,0]=4 3081 B9R1.35 CC(=O)[C@H]1CCC(=O)N1 Amb27877407 [0,0,0,1,0,1|2,0,0]=4 3082 B9R1.35 CC(=O)[C@H]1COC(=O)C1 Amb18832647 [0,0,0,1,0,1|2,0,0]=4 3083 B9R1.35 CC(O)C1CCC(=O)O1 Amb25998293 [0,0,0,1,0,1|1,0,1]=4 3084 B9R1.35 CC1=CC(C(=O)O)NC1 Amb27751727 [0,0,0,1,0,1|2,0,0]=4 3085 B9R1.35 CC1=CC(C(=O)O)SC1 Amb10809142 [0,0,0,1,0,1|2,0,0]=4 3086 B9R1.35 CC1=NC(C(=O)O)CC1 Amb23438203 [0,0,0,1,0,1|2,0,0]=4 3087 B9R1.35 CC1=NC(C(=O)O)CC1 Amb32409643 [0,0,0,1,0,1|2,0,0]=4 3088 B9R1.35 CC1=NC(C(=O)O)CO1 Amb20621597 [0,0,0,1,0,1|2,0,0]=4 3089 B9R1.35 CC1=NC(C(=O)O)CS1 Amb18124720 [0,0,0,1,0,1|2,0,0]=4 3090 B9R1.35 CC1=NCC(C(=O)O)N1 Amb24599993 [0,0,0,1,0,1|2,0,0]=4 3091 B9R1.35 CC1=NCC(C(=O)O)S1 Amb27958674 [0,0,0,1,0,1|1,1,0]=4 3092 B9R1.35 CC1=NC[C@H](C(=O)O)N1 Amb27827434 [0,0,0,1,0,1|2,0,0]=4 3093 B9R1.35 CC1=N[C@@H](C(=O)O)CS1 Amb32676192 [0,0,0,1,0,1|2,0,0]=4 3094 B9R1.35 CC1=N[C@H](C(=O)O)CC1 Amb27455557 [0,0,0,1,0,1|2,0,0]=4 3095 B9R1.35 CC1=N[C@H](C(=O)O)CS1 Amb35648200 [0,0,0,1,0,1|2,0,0]=4 3096 B9R1.35 CC1CCC(C(=O)O)O1 Amb17593370 [0,0,0,1,0,1|1,0,1]=4 3097 B9R1.35 C[C@@H]1CCC(C(=O)O)O1 Amb33423875 [0,0,0,1,0,1|1,0,1]=4 3098 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)O1 Amb22886534 [0,0,0,1,0,1|1,0,1]=4 3099 B9R1.35 C[C@@H]1O[C@H](C(=O)O)CS1 Amb26951854 [0,0,0,1,0,1|1,0,1]=4 3100 B9R1.35 C[C@H](O)[C@@H]1COC(=O)O1 Amb27197946 [0,0,0,1,0,1|1,0,1]=4 3101 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)O1 Amb24651587 [0,0,0,1,0,1|1,0,1]=4 3102 B9R1.35 C[C@H]1O[C@H](C(=O)O)CS1 Amb27252305 [0,0,0,1,0,1|1,0,1]=4 3103 B9R1.35 N=C1OCC(C(=O)O)S1 Amb27954988 [0,0,0,1,0,1|1,1,0]=4 3104 B9R1.35 NC(=O)C1CCC(=O)N1 Amb17142856 [0,0,0,1,0,1|2,0,0]=4 3105 B9R1.35 NC(=O)C1CCC(=O)O1 Amb24466803 [0,0,0,1,0,1|1,0,0]=3 3106 B9R1.35 NC(=O)C1CNC(=O)C1 Amb1803351 [0,0,0,1,0,1|2,0,0]=4 3107 B9R1.35 NC(=O)C1CNC(=O)O1 Amb27200796 [0,0,0,1,0,1|1,0,0]=3 3108 B9R1.35 NC(=O)C1CSC(=O)C1 Amb27837681 [0,0,0,1,0,1|2,0,0]=4 3109 B9R1.35 NC(=O)C1CSC(=O)N1 Amb27595631 [0,0,0,1,0,1|2,0,0]=4 3110 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 Amb4018786 [0,0,0,1,0,1|2,0,0]=4 3111 B9R1.35 NC(=O)[C@@H]1CCC(=O)O1 Amb25146823 [0,0,0,1,0,1|1,0,0]=3 3112 B9R1.35 NC(=O)[C@H]1CCC(=O)N1 Amb27961076 [0,0,0,1,0,1|2,0,0]=4 3113 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 Amb26909560 [0,0,0,1,0,1|1,0,0]=3 3114 B9R1.35 NC(=S)C1CCC(=O)O1 Amb27791679 [0,0,0,1,0,1|1,1,0]=4 3115 B9R1.35 NC1=NC(C(=O)O)CC1 Amb32718833 [0,0,0,1,0,1|2,0,0]=4 3116 B9R1.35 NC1=NC(C(=O)O)CS1 Amb6566424 [0,0,0,1,0,1|2,0,0]=4 3117 B9R1.35 NC1=N[C@@H](C(=O)O)CC1 Amb27202599 [0,0,0,1,0,1|2,0,0]=4 3118 B9R1.35 NC1=N[C@H](C(=O)O)CS1 Amb27976059 [0,0,0,1,0,1|2,0,0]=4 3119 B9R1.35 O=C(O)C1=CC(O)CC1 Amb27619747 [0,0,0,1,0,1|1,0,1]=4 3120 B9R1.35 O=C(O)C1=C[C@@H](O)CC1 Amb27412374 [0,0,0,1,0,1|1,0,1]=4 3121 B9R1.35 O=C(O)C1CC(O)CN1 Amb32666298 [0,0,0,1,0,1|1,0,1]=4 3122 B9R1.35 O=C(O)C1CC(O)CN1 Amb33481348 [0,0,0,1,0,1|1,0,1]=4 3123 B9R1.35 O=C(O)C1CC(O)CN1 Amb9702801 [0,0,0,1,0,1|1,0,1]=4 3124 B9R1.35 O=C(O)C1CC(O)CO1 Amb18642869 [0,0,0,1,0,1|1,0,1]=4 3125 B9R1.35 O=C(O)C1CCC(O)C1 Amb21963572 [0,0,0,1,0,1|1,0,1]=4 3126 B9R1.35 O=C(O)C1CSC(=S)N1 Amb7089160 [0,0,0,1,0,1|1,1,0]=4 3127 B9R1.35 O=C(O)C1CSS(=O)C1 Amb27165800 [0,0,0,1,0,1|2,0,0]=4 3128 B9R1.35 O=C(O)C1C[C@H](O)CN1 Amb34913473 [0,0,0,1,0,1|1,0,1]=4 3129 B9R1.35 O=C(O)C1NC(O)CS1 Amb26536906 [0,0,0,1,0,1|1,0,1]=4 3130 B9R1.35 O=C(O)[C@@H]1CC(O)CN1 Amb25743296 [0,0,0,1,0,1|1,0,1]=4 3131 B9R1.35 O=C(O)[C@@H]1CCC(=S)N1 Amb26857015 [0,0,0,1,0,1|1,1,0]=4 3132 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 Amb22746558 [0,0,0,1,0,1|1,0,1]=4 3133 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 Amb27784295 [0,0,0,1,0,1|1,0,1]=4 3134 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 Amb9809722 [0,0,0,1,0,1|1,1,0]=4 3135 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 Amb1994991 [0,0,0,1,0,1|1,0,1]=4 3136 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CO1 Amb28287549 [0,0,0,1,0,1|1,0,1]=4 3137 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 Amb22748218 [0,0,0,1,0,1|1,0,1]=4 3138 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 Amb8384483 [0,0,0,1,0,1|1,0,1]=4 3139 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 Amb8629987 [0,0,0,1,0,1|1,0,1]=4 3140 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 Amb26960428 [0,0,0,1,0,1|1,0,1]=4 3141 B9R1.35 O=C(O)[C@H]1CC[C@H](O)N1 Amb27421972 [0,0,0,1,0,1|1,0,1]=4 3142 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 Amb5718663 [0,0,0,1,0,1|1,0,1]=4 3143 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 Amb5719209 [0,0,0,1,0,1|1,0,1]=4 3144 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 Amb16230723 [0,0,0,1,0,1|1,0,1]=4 3145 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 Amb8628928 [0,0,0,1,0,1|1,0,1]=4 3146 B9R1.35 O=C(O)[C@H]1O[C@H](O)CS1 Amb25288477 [0,0,0,1,0,1|0,0,2]=4 3147 B9R1.35 O=C1C=C(C(=O)O)CC1 Amb13883804 [0,0,0,1,0,1|1,0,0]=3 3148 B9R1.35 O=C1C=CC(C(=O)O)C1 Amb26002884 [0,0,0,1,0,1|1,0,1]=4 3149 B9R1.35 O=C1C=CC(C(=O)O)N1 Amb27775192 [0,0,0,1,0,1|1,0,1]=4 3150 B9R1.35 O=C1CC(C(=O)O)CN1 Amb33545000 [0,0,0,1,0,1|1,0,0]=3 3151 B9R1.35 O=C1CC(C(=O)O)CO1 Amb22642307 [0,0,0,1,0,1|1,0,0]=3 3152 B9R1.35 O=C1CC(C(=O)O)CS1 Amb10073724 [0,0,0,1,0,1|1,0,0]=3 3153 B9R1.35 O=C1CC(C(=O)O)NN1 Amb18642739 [0,0,0,1,0,1|2,0,0]=4 3154 B9R1.35 O=C1CCC(C(=O)Cl)C1 Amb25282784 [0,0,0,1,0,1|2,0,0]=4 3155 B9R1.35 O=C1CCC(C(=O)Cl)N1 Amb17142869 [0,0,0,1,0,1|2,0,0]=4 3156 B9R1.35 O=C1CCC(C(=O)Cl)O1 Amb24648754 [0,0,0,1,0,1|1,0,0]=3 3157 B9R1.35 O=C1CCC(C(=O)O)C1 Amb2695400 [0,0,0,1,0,1|1,0,0]=3 3158 B9R1.35 O=C1CCC(C(=O)O)N1 Amb9703102 [0,0,0,1,0,1|1,0,0]=3 3159 B9R1.35 O=C1CCC(C(=O)O)O1 Amb20623076 [0,0,0,1,0,1|0,0,0]=2 3160 B9R1.35 O=C1CCC(C(=O)O)S1 Amb23439315 [0,0,0,1,0,1|0,1,0]=3 3161 B9R1.35 O=C1CCC(C(=O)[O-])N1 Amb8514777 [0,0,0,1,0,1|1,0,1]=4 3162 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 Amb22388653 [0,0,0,1,0,1|1,0,0]=3 3163 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 Amb27254141 [0,0,0,1,0,1|1,0,0]=3 3164 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb1995036 [0,0,0,1,0,1|1,0,0]=3 3165 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb24099403 [0,0,0,1,0,1|1,0,0]=3 3166 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 Amb2722887 [0,0,0,1,0,1|0,0,0]=2 3167 B9R1.35 O=C1CC[C@@H](C(=O)[O-])N1 Amb8395173 [0,0,0,1,0,1|1,0,1]=4 3168 B9R1.35 O=C1CC[C@H](C(=O)Cl)O1 Amb22747149 [0,0,0,1,0,1|1,0,0]=3 3169 B9R1.35 O=C1CC[C@H](C(=O)O)C1 Amb22746923 [0,0,0,1,0,1|1,0,0]=3 3170 B9R1.35 O=C1CC[C@H](C(=O)O)N1 Amb2694994 [0,0,0,1,0,1|1,0,0]=3 3171 B9R1.35 O=C1CC[C@H](C(=O)O)O1 Amb2720513 [0,0,0,1,0,1|0,0,0]=2 3172 B9R1.35 O=C1CN=C(C(=O)O)N1 Amb24387402 [0,0,0,1,0,1|1,0,1]=4 3173 B9R1.35 O=C1CNC(C(=O)O)C1 Amb30625211 [0,0,0,1,0,1|1,0,0]=3 3174 B9R1.35 O=C1CNC(C(=O)O)C1 Amb8386094 [0,0,0,1,0,1|1,0,0]=3 3175 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb22747440 [0,0,0,1,0,1|1,0,0]=3 3176 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb8628977 [0,0,0,1,0,1|1,0,0]=3 3177 B9R1.35 O=C1COC(C(=O)O)C1 Amb32651713 [0,0,0,1,0,1|1,0,0]=3 3178 B9R1.35 O=C1CSC(C(=O)Cl)O1 Amb25724287 [0,0,0,1,0,1|1,0,0]=3 3179 B9R1.35 O=C1CSC(C(=O)O)=N1 Amb27211941 [0,0,0,1,0,1|1,0,1]=4 3180 B9R1.35 O=C1CSC(C(=O)O)C1 Amb24061425 [0,0,0,1,0,1|1,0,0]=3 3181 B9R1.35 O=C1CSC(C(=O)O)O1 Amb25063335 [0,0,0,1,0,1|0,0,0]=2 3182 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 Amb23439643 [0,0,0,1,0,1|1,0,0]=3 3183 B9R1.35 O=C1C[C@@H](C(=O)O)CO1 Amb27253217 [0,0,0,1,0,1|1,0,0]=3 3184 B9R1.35 O=C1C[C@H](C(=O)O)CN1 Amb25946886 [0,0,0,1,0,1|1,0,0]=3 3185 B9R1.35 O=C1NC(C(=O)Cl)CO1 Amb27484689 [0,0,0,1,0,1|2,0,0]=4 3186 B9R1.35 O=C1NC(C(=O)Cl)CS1 Amb28040993 [0,0,0,1,0,1|2,0,0]=4 3187 B9R1.35 O=C1NC(C(=O)O)CO1 Amb15701690 [0,0,0,1,0,1|1,0,0]=3 3188 B9R1.35 O=C1NC(C(=O)O)CS1 Amb3319393 [0,0,0,1,0,1|1,0,0]=3 3189 B9R1.35 O=C1NCC(C(=O)O)N1 Amb2780032 [0,0,0,1,0,1|1,0,0]=3 3190 B9R1.35 O=C1NCC(C(=O)O)O1 Amb24112958 [0,0,0,1,0,1|0,0,0]=2 3191 B9R1.35 O=C1NCC(C(=O)O)S1 Amb24084914 [0,0,0,1,0,1|0,1,0]=3 3192 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 Amb3997304 [0,0,0,1,0,1|1,0,0]=3 3193 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 Amb25146207 [0,0,0,1,0,1|0,0,0]=2 3194 B9R1.35 O=C1NC[C@H](C(=O)O)N1 Amb24079612 [0,0,0,1,0,1|1,0,0]=3 3195 B9R1.35 O=C1NC[C@H](C(=O)O)O1 Amb27771494 [0,0,0,1,0,1|0,0,0]=2 3196 B9R1.35 O=C1N[C@@H](C(=O)O)CO1 Amb24340149 [0,0,0,1,0,1|1,0,0]=3 3197 B9R1.35 O=C1N[C@@H](C(=O)O)CS1 Amb537246 [0,0,0,1,0,1|1,0,0]=3 3198 B9R1.35 O=C1N[C@H](C(=O)O)CO1 Amb19517080 [0,0,0,1,0,1|1,0,0]=3 3199 B9R1.35 O=C1N[C@H](C(=O)O)CS1 Amb1157856 [0,0,0,1,0,1|1,0,0]=3 3200 B9R1.35 O=C1OCC(C(=O)O)O1 Amb25767974 [0,0,0,1,0,1|0,0,0]=2 3201 B9R1.35 O=C1SCC(C(=O)Cl)S1 Amb27966772 [0,0,0,1,0,1|1,1,0]=4 3202 B9R1.35 O=C1SCC(C(=O)O)S1 Amb23504458 [0,0,0,1,0,1|0,1,0]=3 3203 B9R1.46 O=C(O)CCC1=C(Br)C1 Amb27650642 [0,0,0,1,0,1|2,0,0]=4 3204 B9R1.49 O=C1C=CC(=O)CCC1 Amb28351041 [0,0,0,1,0,1|2,0,0]=4 3205 B9R1.49 O=C1CCC(=O)COC1 Amb2707216 [0,0,0,1,0,1|2,0,0]=4 3206 B9R1.49 O=C1CCCC(O)CO1 Amb28138759 [0,0,0,1,0,1|1,0,1]=4 3207 B9R1.49 O=C1CCNC(=O)CC1 Amb22490261 [0,0,0,1,0,1|2,0,0]=4 3208 B9R1.49 O=C1COC(=O)CCN1 Amb27168286 [0,0,0,1,0,1|1,0,0]=3 3209 B9R1.53 C=C1CC(CC(=O)O)C1 Amb35788335 [0,0,0,1,0,1|2,0,0]=4 3210 B9R1.53 C=C1CN(CC(=O)O)C1 Amb30026788 [0,0,0,1,0,1|2,0,0]=4 3211 B9R1.53 CC(=O)CC1CC(=O)N1 Amb26593659 [0,0,0,1,0,1|2,0,0]=4 3212 B9R1.53 CC(=O)OC1CC(=O)C1 Amb21961279 [0,0,0,1,0,1|2,0,0]=4 3213 B9R1.53 CC(=O)OC1CC(=O)N1 Amb8383894 [0,0,0,1,0,1|2,0,0]=4 3214 B9R1.53 CC(=O)O[C@@H]1CC(=O)N1 Amb27961491 [0,0,0,1,0,1|2,0,0]=4 3215 B9R1.53 CC(=O)SC1CC(=O)N1 Amb27225587 [0,0,0,1,0,1|2,0,0]=4 3216 B9R1.53 NC(=O)CC1CC(=O)N1 Amb27186130 [0,0,0,1,0,1|2,0,0]=4 3217 B9R1.53 O=C(O)CC1CC(=O)C1 Amb27493654 [0,0,0,1,0,1|1,0,0]=3 3218 B9R1.53 O=C(O)CC1CC(=O)N1 Amb24351879 [0,0,0,1,0,1|1,0,0]=3 3219 B9R1.53 O=C(O)CN1CC(O)C1 Amb25339150 [0,0,0,1,0,1|1,0,1]=4 3220 B9R1.53 O=C(O)C[C@H]1C[C@@H](O)C1 Amb26043308 [0,0,0,1,0,1|1,0,1]=4 3221 B9R1.53 O=C(O)C[C@H]1C[C@H](O)C1 Amb25204858 [0,0,0,1,0,1|1,0,1]=4 3222 B9R1.85 O=C(O)CCCC1CO1 Amb28453878 [0,0,0,1,0,1|1,0,1]=4 3223 B9R1.85 O=C(O)CCC[C@@H]1CO1 Amb27257665 [0,0,0,1,0,1|1,0,1]=4 3224 B9R1.161 C=C(C)C1CC1C(=O)O Amb25887453 [0,0,0,1,0,1|2,0,0]=4 3225 B9R1.161 C=C(C)[C@@H]1C[C@H]1C(=O)O Amb33199898 [0,0,0,1,0,1|2,0,0]=4 3226 B9R1.161 CC(=O)C1CC1C(C)=O Amb27861276 [0,0,0,1,0,1|2,0,0]=4 3227 B9R1.161 CC(=O)C1OC1C(N)=O Amb28383609 [0,0,0,1,0,1|2,0,0]=4 3228 B9R1.161 CC(=O)[C@@H]1C[C@H]1C(C)=O Amb28246517 [0,0,0,1,0,1|2,0,0]=4 3229 B9R1.161 CC(=O)[C@@H]1O[C@@H]1C(N)=O Amb27194051 [0,0,0,1,0,1|2,0,0]=4 3230 B9R1.161 CC(=O)[C@H]1C[C@H]1C(C)=O Amb28248083 [0,0,0,1,0,1|2,0,0]=4 3231 B9R1.161 CC(O)C1CC1C(=O)O Amb25888760 [0,0,0,1,0,1|1,0,1]=4 3232 B9R1.161 CC(O)[C@@H]1C[C@@H]1C(=O)O Amb28457538 [0,0,0,1,0,1|1,0,1]=4 3233 B9R1.161 CC(O)[C@@H]1C[C@H]1C(=O)O Amb27489157 [0,0,0,1,0,1|1,0,1]=4 3234 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [0,0,0,1,0,1|1,0,0]=3 3235 B9R1.161 NC(=O)C1CC1C(N)=O Amb27661569 [0,0,0,1,0,1|2,0,0]=4 3236 B9R1.161 NC(=O)C1OC1C(=O)O Amb25695985 [0,0,0,1,0,1|1,0,0]=3 3237 B9R1.161 NC(=O)C1OC1C(N)=O Amb28287239 [0,0,0,1,0,1|2,0,0]=4 3238 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Amb24623178 [0,0,0,1,0,1|1,0,0]=3 3239 B9R1.161 NC(=O)[C@@H]1C[C@H]1C(=O)O Amb27447217 [0,0,0,1,0,1|1,0,0]=3 3240 B9R1.161 NC(=O)[C@H]1C[C@H]1C(=O)O Amb27436130 [0,0,0,1,0,1|1,0,0]=3 3241 B9R1.161 O=C(Cl)C1OC1C(=O)Cl Amb24060960 [0,0,0,1,0,1|2,0,0]=4 3242 B9R1.161 O=C(O)C1CC1B(O)O Amb27599742 [0,0,0,1,0,1|1,0,1]=4 3243 B9R1.161 O=C(O)C1CC1C(=O)Cl Amb26959493 [0,0,0,1,0,1|1,0,0]=3 3244 B9R1.161 O=C(O)C1CC1C(=O)O Amb1350467 [0,0,0,1,0,1|0,0,0]=2 3245 B9R1.161 O=C(O)C1CC1[N+](=O)[O-] Amb9197005 [0,0,0,1,0,1|1,0,1]=4 3246 B9R1.161 O=C(O)C1OC1C(=O)O Amb4001391 [0,0,0,1,0,1|0,0,0]=2 3247 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Amb22901897 [0,0,0,1,0,1|0,0,0]=2 3248 B9R1.161 O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-] Amb25109456 [0,0,0,1,0,1|1,0,1]=4 3249 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O Amb22799776 [0,0,0,1,0,1|0,0,0]=2 3250 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O Amb25979295 [0,0,0,1,0,1|0,0,0]=2 3251 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] Amb26439479 [0,0,0,1,0,1|1,0,1]=4 3252 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Amb3442175 [0,0,0,1,0,1|0,0,0]=2 3253 B9R1.161 O=C(O)[C@H]1O[C@@H]1C(=O)O Amb22262951 [0,0,0,1,0,1|0,0,0]=2 3254 B9R1.161 O=C([O-])[C@@H]1N[C@H]1C(=O)[O-] Amb24120358 [0,0,0,1,0,1|0,0,2]=4 3255 B9R1.166 O=C(O)C1CCS1(=O)=O Amb33309510 [0,0,0,1,0,1|1,0,1]=4 3256 B9R1.1 O=C1CC=C(CO)CC1 Amb28253672 [0,1,0,1,0,0|2,0,0]=4 3257 B9R1.1 O=C1CC\C(=N/O)CN1 Amb27168983 [0,1,0,1,0,0|2,0,0]=4 3258 B9R1.10 O=C1CCP(=O)(O)CC1 Amb27838625 [0,1,0,1,0,0|2,0,0]=4 3259 B9R1.55 C=C1C[C@@H](C(=O)O)[C@H]1N Amb28055563 [0,1,0,1,0,0|2,0,0]=4 3260 B9R1.55 CN1CC(C(=O)O)C1=O Amb17593354 [0,1,0,1,0,0|2,0,0]=4 3261 B9R1.55 NC(=O)C1NC(=O)C1N Amb27445718 [0,1,0,1,0,0|2,0,0]=4 3262 B9R1.55 NC1C(=O)NC1C(=O)O Amb25871338 [0,1,0,1,0,0|1,0,0]=3 3263 B9R1.55 N[C@H]1[C@@H](C(=O)O)C[C@H]1O Amb27848566 [0,1,0,1,0,0|1,0,1]=4 3264 B9R1.69 C=C1CCC(=O)NC1=O Amb26600967 [0,1,0,1,0,0|2,0,0]=4 3265 B9R1.69 CC1=CC(=O)CCC1=O Amb28455194 [0,1,0,1,0,0|2,0,0]=4 3266 B9R1.69 CC1CC(=O)C=CC1=O Amb27750328 [0,1,0,1,0,0|2,0,0]=4 3267 B9R1.69 CC1CC(=O)OCC1O Amb27956456 [0,1,0,1,0,0|1,0,1]=4 3268 B9R1.69 CC1CCC(=O)OC1=O Amb24117247 [0,1,0,1,0,0|1,0,1]=4 3269 B9R1.69 CC1NC(=O)CCC1=O Amb27874094 [0,1,0,1,0,0|2,0,0]=4 3270 B9R1.69 CC1NC(=O)COC1=O Amb20669551 [0,1,0,1,0,0|2,0,0]=4 3271 B9R1.69 CC1OC(=O)COC1=O Amb27421415 [0,1,0,1,0,0|2,0,0]=4 3272 B9R1.69 CN1CC(=O)CCC1=O Amb23555663 [0,1,0,1,0,0|2,0,0]=4 3273 B9R1.69 C[C@@H]1NC(=O)COC1=O Amb28059067 [0,1,0,1,0,0|2,0,0]=4 3274 B9R1.69 NC1CCC(=O)OC1=O Amb27838431 [0,1,0,1,0,0|1,0,1]=4 3275 B9R1.69 O=C1C=CC(=O)C(O)C1 Amb27191875 [0,1,0,1,0,0|2,0,0]=4 3276 B9R1.69 O=C1CCC(=O)C(Br)C1 Amb25775016 [0,1,0,1,0,0|2,0,0]=4 3277 B9R1.69 O=C1CCC(=O)C(Cl)C1 Amb24452362 [0,1,0,1,0,0|2,0,0]=4 3278 B9R1.69 O=C1CCC(=O)N(P)C1 Amb25854386 [0,1,0,1,0,0|2,0,0]=4 3279 B9R1.69 O=C1CCC(Br)C(=O)O1 Amb25680134 [0,1,0,1,0,0|1,0,1]=4 3280 B9R1.69 O=C1CCC(O)C(=O)C1 Amb27409551 [0,1,0,1,0,0|1,0,1]=4 3281 B9R1.69 O=C1CCC(O)CC1O Amb27494789 [0,1,0,1,0,0|1,0,1]=4 3282 B9R1.69 O=C1CCS(=O)CC1O Amb29847922 [0,1,0,1,0,0|2,0,0]=4 3283 B9R1.69 O=C1CC[C@H](O)C(=O)N1 Amb27954578 [0,1,0,1,0,0|1,0,1]=4 3284 B9R1.69 O=C1CNC(=O)C(O)N1 Amb27204459 [0,1,0,1,0,0|2,0,0]=4 3285 B9R1.80 COC(=O)CCC1CO1 Amb25377501 [0,1,0,1,0,0|1,0,1]=4 3286 B9R1.82 C=C1CC(C(=O)OC)C1 Amb21962131 [0,1,0,1,0,0|2,0,0]=4 3287 B9R1.82 CC(CO)C1CC(=O)O1 Amb28315511 [0,1,0,1,0,0|1,0,1]=4 3288 B9R1.82 COC(=O)C1CC(=O)C1 Amb17597687 [0,1,0,1,0,0|1,0,0]=3 3289 B9R1.82 COC(=O)C1CC(=O)N1 Amb24711580 [0,1,0,1,0,0|1,0,0]=3 3290 B9R1.82 COC(=O)C1CC(C)O1 Amb22737249 [0,1,0,1,0,0|1,0,1]=4 3291 B9R1.82 COC(=O)C1CC(O)C1 Amb19516177 [0,1,0,1,0,0|1,0,1]=4 3292 B9R1.82 COC(=O)[C@@H]1CC(=O)N1 Amb22747568 [0,1,0,1,0,0|1,0,0]=3 3293 B9R1.82 COC(=O)[C@@H]1CC(=S)N1 Amb24478569 [0,1,0,1,0,0|1,1,0]=4 3294 B9R1.82 COC(=O)[C@@H]1C[C@@H](C)O1 Amb24056487 [0,1,0,1,0,0|1,0,1]=4 3295 B9R1.82 COC(=O)[C@@H]1C[C@H](C)O1 Amb26885653 [0,1,0,1,0,0|1,0,1]=4 3296 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 Amb22754751 [0,1,0,1,0,0|1,0,1]=4 3297 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 Amb22746996 [0,1,0,1,0,0|1,0,1]=4 3298 B9R1.82 NNC(=O)C1CC(=O)C1 Amb28049790 [0,1,0,1,0,0|2,0,0]=4 3299 B9R1.82 O=C1CC(C(=O)NO)C1 Amb27163827 [0,1,0,1,0,0|1,0,0]=3 3300 B9R1.84 O=C(O)CCC1CCO1 Amb28280741 [0,1,0,1,0,0|1,0,1]=4 3301 B9R1.95 COC1CC(C(=O)O)C1 Amb8011538 [0,1,0,1,0,0|1,0,1]=4 3302 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 Amb23440276 [0,1,0,1,0,0|1,0,1]=4 3303 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 Amb23440277 [0,1,0,1,0,0|1,0,1]=4 3304 B9R1.95 NN=C1CC(C(=O)O)C1 Amb23570285 [0,1,0,1,0,0|2,0,0]=4 3305 B9R1.95 O=C(O)C1CC(CO)C1 Amb22002175 [0,1,0,1,0,0|1,0,1]=4 3306 B9R1.95 O=C(O)[C@H]1C[C@H](CO)C1 Amb34162163 [0,1,0,1,0,0|1,0,1]=4 3307 B9R1.95 O=C[C@H]1C[C@@H](C(=O)O)C1 Amb33309677 [0,1,0,1,0,0|1,0,1]=4 3308 B9R1.125 CC1(C=O)CCC(=O)O1 Amb28348513 [0,1,0,1,0,0|1,0,1]=4 3309 B9R1.138 CC1(O)CCC(=O)C1O Amb28128781 [0,1,0,1,0,0|1,0,1]=4 3310 B9R1.147 O=C(O)CCC1(O)CC1 Amb28325490 [0,1,0,1,0,0|1,0,1]=4 3311 B9R1.45 C=C1CC1C(N)C(=O)O Amb24117258 [0,1,0,1,0,0|2,0,0]=4 3312 B9R1.45 C=C1CC1C(N)C(=O)O Amb27489118 [0,1,0,1,0,0|2,0,0]=4 3313 B9R1.45 C=C1CC1C(O)C(=O)O Amb27816361 [0,1,0,1,0,0|2,0,0]=4 3314 B9R1.45 C=C1C[C@@H]1C(O)C(=O)O Amb28410295 [0,1,0,1,0,0|2,0,0]=4 3315 B9R1.45 C=C1C[C@@H]1[C@H](N)C(=O)O Amb28349320 [0,1,0,1,0,0|2,0,0]=4 3316 B9R1.112 N[C@@H](C[C@H]1CO1)C(=O)O Amb28252257 [0,1,0,1,0,0|1,0,1]=4 3317 B9R1.152 C=C1CC(C)(C(=O)O)C1 Amb25887446 [0,1,0,1,0,0|2,0,0]=4 3318 B9R1.152 C=C1CC(N)(C(=O)O)C1 Amb34145346 [0,1,0,1,0,0|2,0,0]=4 3319 B9R1.152 C=C1CC(O)(C(=O)O)C1 Amb28201676 [0,1,0,1,0,0|2,0,0]=4 3320 B9R1.152 CC1(C(=O)O)CC(=O)C1 Amb22406208 [0,1,0,1,0,0|1,0,0]=3 3321 B9R1.152 CC1(C(=O)O)CC(O)C1 Amb33361249 [0,1,0,1,0,0|1,0,1]=4 3322 B9R1.152 NC1(C(=O)O)CC(O)C1 Amb26585144 [0,1,0,1,0,0|1,0,1]=4 3323 B9R1.152 NC1(C(=O)O)CC(O)C1 Amb28992378 [0,1,0,1,0,0|1,0,1]=4 3324 B9R1.152 N[C@]1(C(=O)O)C[C@H](O)C1 Amb25297893 [0,1,0,1,0,0|1,0,1]=4 3325 B9R1.152 N[C@]1(C(=O)O)C[C@H](O)C1 Amb32679390 [0,1,0,1,0,0|1,0,1]=4 3326 B9R1.152 O=C(O)C1(F)CC(O)C1 Amb34142466 [0,1,0,1,0,0|1,0,1]=4 3327 B9R1.152 O=C(O)[C@]1(F)C[C@@H](O)C1 Amb34912853 [0,1,0,1,0,0|1,0,1]=4 3328 B9R1.152 O=C(O)[C@]1(F)C[C@H](O)C1 Amb34161934 [0,1,0,1,0,0|1,0,1]=4 3329 B9R1.152 O=C(O)[C@]1(O)C[C@@H](O)C1 Amb34147022 [0,1,0,1,0,0|1,0,1]=4 3330 B9R1.152 O=C(O)[C@]1(O)C[C@H](O)C1 Amb34136524 [0,1,0,1,0,0|1,0,1]=4 3331 B9R1.152 O=C1CC(F)(C(=O)O)C1 Amb34136578 [0,1,0,1,0,0|1,0,0]=3 3332 B9R1.164 CC1(O)CC(C(=O)O)C1 Amb33545096 [0,1,0,1,0,0|1,0,1]=4 3333 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 Amb23440037 [0,1,0,1,0,0|1,0,1]=4 3334 B9R1.164 C[C@]1(O)C[C@H](C(=O)O)C1 Amb23440038 [0,1,0,1,0,0|1,0,1]=4 3335 B9R1.164 O=C(O)C1CC(O)(O)C1 Amb27490909 [0,1,0,1,0,0|0,0,2]=4 3336 B9R1.164 O=C(O)C1CP(=O)(O)C1 Amb4297467 [0,1,0,1,0,0|1,0,0]=3 3337 B9R1.164 O=C(O)C1CS(=O)(=O)C1 Amb8439029 [0,1,0,1,0,0|1,0,1]=4 3338 B9R2.41 O=C1CC(C2CO2)O1 Amb28250347 [0,0,0,2,0,0|1,0,1]=4 3339 B5R0.5 C=C(Br)C(=O)O Amb20620403 [0,0,0,0,2,0|2,0,0]=4 3340 B5R0.5 C=C(C)C(=O)O Amb6608998 [0,0,0,0,2,0|2,0,0]=4 3341 B5R0.5 C=C(Cl)C(=O)O Amb17933971 [0,0,0,0,2,0|2,0,0]=4 3342 B5R0.5 C=C(F)C(=O)O Amb2688008 [0,0,0,0,2,0|2,0,0]=4 3343 B5R0.5 CC(=O)C(=O)Cl Amb17593107 [0,0,0,0,2,0|2,0,0]=4 3344 B5R0.5 CC(=O)C(=O)O Amb932807 [0,0,0,0,2,0|1,0,0]=3 3345 B5R0.5 CC(=O)C(=O)[O-] Amb22043412 [0,0,0,0,2,0|1,0,1]=4 3346 B5R0.5 CC(=O)C(C)=O Amb6608675 [0,0,0,0,2,0|2,0,0]=4 3347 B5R0.5 CC(=O)C(N)=O Amb17593028 [0,0,0,0,2,0|2,0,0]=4 3348 B5R0.5 CC(=S)C(=O)O Amb27424126 [0,0,0,0,2,0|1,1,0]=4 3349 B5R0.5 CC(O)C(=O)O Amb9703100 [0,0,0,0,2,0|1,0,1]=4 3350 B5R0.5 C[C@@H](O)C(=O)O Amb6600026 [0,0,0,0,2,0|1,0,1]=4 3351 B5R0.5 C[C@H](O)C(=O)O Amb8386374 [0,0,0,0,2,0|1,0,1]=4 3352 B5R0.5 N=C(S)C(=O)O Amb18640468 [0,0,0,0,2,0|1,1,0]=4 3353 B5R0.5 NC(=O)C(=O)O Amb32666615 [0,0,0,0,2,0|1,0,0]=3 3354 B5R0.5 NC(=O)C(=O)O Amb3940455 [0,0,0,0,2,0|1,0,0]=3 3355 B5R0.5 NC(=O)C(=O)[O-] Amb22053860 [0,0,0,0,2,0|1,0,1]=4 3356 B5R0.5 NC(=O)C(=O)[O-] Amb22730546 [0,0,0,0,2,0|1,0,1]=4 3357 B5R0.5 NC(=O)C(N)=O Amb3886526 [0,0,0,0,2,0|2,0,0]=4 3358 B5R0.5 NC(O)C(=O)O Amb24663706 [0,0,0,0,2,0|1,0,1]=4 3359 B5R0.5 O=C(Br)C(=O)Br Amb8513454 [0,0,0,0,2,0|2,0,0]=4 3360 B5R0.5 O=C(Cl)C(=O)Cl Amb2793009 [0,0,0,0,2,0|2,0,0]=4 3361 B5R0.5 O=C(F)C(=O)F Amb10840380 [0,0,0,0,2,0|2,0,0]=4 3362 B5R0.5 O=C(O)C(=O)Br Amb27863598 [0,0,0,0,2,0|1,0,0]=3 3363 B5R0.5 O=C(O)C(=O)O Amb10608980 [0,0,0,0,2,0|0,0,0]=2 3364 B5R0.5 O=C(O)C(=O)O Amb19374136 [0,0,0,0,2,0|0,0,0]=2 3365 B5R0.5 O=C(O)C(=O)O Amb22231343 [0,0,0,0,2,0|0,0,0]=2 3366 B5R0.5 O=C(O)C(=O)O Amb22394874 [0,0,0,0,2,0|0,0,0]=2 3367 B5R0.5 O=C(O)C(=O)O Amb22436461 [0,0,0,0,2,0|0,0,0]=2 3368 B5R0.5 O=C(O)C(=O)O Amb7755827 [0,0,0,0,2,0|0,0,0]=2 3369 B5R0.5 O=C(O)C(=O)O Amb8513282 [0,0,0,0,2,0|0,0,0]=2 3370 B5R0.5 O=C(O)C(O)O Amb6608986 [0,0,0,0,2,0|0,0,2]=4 3371 B5R0.5 O=C([O-])C(=O)[O-] Amb17943075 [0,0,0,0,2,0|0,0,2]=4 3372 B5R0.5 O=C([O-])C(=O)[O-] Amb21963194 [0,0,0,0,2,0|0,0,2]=4 3373 B5R0.5 O=C([O-])C(=O)[O-] Amb22002099 [0,0,0,0,2,0|0,0,2]=4 3374 B5R0.5 O=C([O-])C(=O)[O-] Amb22045394 [0,0,0,0,2,0|0,0,2]=4 3375 B5R0.5 O=C([O-])C(=O)[O-] Amb22053543 [0,0,0,0,2,0|0,0,2]=4 3376 B5R0.5 O=C([O-])C(=O)[O-] Amb22053547 [0,0,0,0,2,0|0,0,2]=4 3377 B5R0.5 O=C([O-])C(=O)[O-] Amb8514326 [0,0,0,0,2,0|0,0,2]=4 3378 B5R0.5 O=C([O-])C(=O)[O-] Amb8514363 [0,0,0,0,2,0|0,0,2]=4 3379 B5R0.5 O=C([O-])C(=O)[O-] Amb8514364 [0,0,0,0,2,0|0,0,2]=4 3380 B5R0.5 O=C([S-])C(=O)[S-] Amb22730472 [0,0,0,0,2,0|0,2,0]=4 3381 B9R0.55 C=C(C)CC\C=C\C(=O)O Amb27253611 [0,0,0,0,0,2|2,0,0]=4 3382 B9R0.55 C=C(C)COCCC(=O)O Amb27882463 [0,0,0,0,0,2|2,0,0]=4 3383 B9R0.55 C=C(C)CONCC(=O)O Amb27969663 [0,0,0,0,0,2|2,0,0]=4 3384 B9R0.55 C=C(Cl)CNCCC(=O)O Amb9326413 [0,0,0,0,0,2|2,0,0]=4 3385 B9R0.55 C=C(F)CCCCC(=O)O Amb27949889 [0,0,0,0,0,2|2,0,0]=4 3386 B9R0.55 CC(=O)CCCCC(=O)O Amb3939946 [0,0,0,0,0,2|1,0,0]=3 3387 B9R0.55 CC(=O)CCCCC(C)=O Amb17593600 [0,0,0,0,0,2|2,0,0]=4 3388 B9R0.55 CC(=O)CCCNC(C)=O Amb28194645 [0,0,0,0,0,2|2,0,0]=4 3389 B9R0.55 CC(=O)CCCOC(C)=O Amb1033031 [0,0,0,0,0,2|2,0,0]=4 3390 B9R0.55 CC(=O)CCNCC(=O)O Amb32675828 [0,0,0,0,0,2|1,0,0]=3 3391 B9R0.55 CC(=O)CCOCC(=O)O Amb27241199 [0,0,0,0,0,2|1,0,0]=3 3392 B9R0.55 CC(=O)CCSCC(=O)O Amb24443138 [0,0,0,0,0,2|1,0,0]=3 3393 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [0,0,0,0,0,2|1,0,0]=3 3394 B9R0.55 CC(=O)NCCCC(=O)O Amb2778749 [0,0,0,0,0,2|1,0,0]=3 3395 B9R0.55 CC(=O)NCCNC(C)=O Amb2522644 [0,0,0,0,0,2|2,0,0]=4 3396 B9R0.55 CC(=O)NCCOC(C)=O Amb2781669 [0,0,0,0,0,2|2,0,0]=4 3397 B9R0.55 CC(=O)NC\C=C\C(=O)O Amb27259093 [0,0,0,0,0,2|1,0,1]=4 3398 B9R0.55 CC(=O)NOCCC(=O)O Amb27252126 [0,0,0,0,0,2|1,0,0]=3 3399 B9R0.55 CC(=O)OCC#CC(=O)O Amb28411497 [0,0,0,0,0,2|1,0,1]=4 3400 B9R0.55 CC(=O)OCCCC(=O)O Amb24480808 [0,0,0,0,0,2|1,0,0]=3 3401 B9R0.55 CC(=O)OCCOC(C)=O Amb8513772 [0,0,0,0,0,2|2,0,0]=4 3402 B9R0.55 CC(=O)OCCOC(N)=O Amb27168669 [0,0,0,0,0,2|2,0,0]=4 3403 B9R0.55 CC(=O)OC\C=C\C(=O)O Amb24454652 [0,0,0,0,0,2|1,0,1]=4 3404 B9R0.55 CC(=O)SCCCC(=O)O Amb26356321 [0,0,0,0,0,2|1,0,0]=3 3405 B9R0.55 CC(C)=CCOCC(=O)O Amb18644115 [0,0,0,0,0,2|2,0,0]=4 3406 B9R0.55 CC(C)=NOCCC(=O)O Amb27596064 [0,0,0,0,0,2|2,0,0]=4 3407 B9R0.55 CC(O)CSCCC(=O)O Amb18792572 [0,0,0,0,0,2|1,0,1]=4 3408 B9R0.55 CC(O)\C=C\CCC(=O)O Amb24453133 [0,0,0,0,0,2|1,0,1]=4 3409 B9R0.55 CS(=O)CCCCC(=O)O Amb18788305 [0,0,0,0,0,2|2,0,0]=4 3410 B9R0.55 CS(=O)CCSCC(=O)O Amb27236300 [0,0,0,0,0,2|2,0,0]=4 3411 B9R0.55 C\C(Br)=C/CCCC(=O)O Amb27798317 [0,0,0,0,0,2|2,0,0]=4 3412 B9R0.55 C\C(Cl)=C/CSCC(=O)O Amb27865640 [0,0,0,0,0,2|2,0,0]=4 3413 B9R0.55 N=C(N)NCCCC(=O)O Amb9813713 [0,0,0,0,0,2|2,0,0]=4 3414 B9R0.55 NC(=O)CCCCC(=O)O Amb9391119 [0,0,0,0,0,2|1,0,0]=3 3415 B9R0.55 NC(=O)CCCCC(N)=O Amb2793081 [0,0,0,0,0,2|2,0,0]=4 3416 B9R0.55 NC(=O)CNOCC(N)=O Amb27194913 [0,0,0,0,0,2|2,0,0]=4 3417 B9R0.55 NC(=O)CONCC(=O)O Amb27215866 [0,0,0,0,0,2|1,0,0]=3 3418 B9R0.55 NC(=O)CSCCC(=O)O Amb6664956 [0,0,0,0,0,2|1,0,0]=3 3419 B9R0.55 NC(=O)NCCCC(=O)O Amb1104859 [0,0,0,0,0,2|1,0,0]=3 3420 B9R0.55 NC(=O)NCCNC(N)=O Amb1146040 [0,0,0,0,0,2|2,0,0]=4 3421 B9R0.55 NC(=O)NCNCC(=O)O Amb27446531 [0,0,0,0,0,2|1,0,0]=3 3422 B9R0.55 NC(=O)NC\C=C\C(=O)O Amb27817537 [0,0,0,0,0,2|1,0,1]=4 3423 B9R0.55 NC(=O)N\N=C\CC(=O)O Amb28366218 [0,0,0,0,0,2|1,0,1]=4 3424 B9R0.55 NC(=S)NCCCC(=O)O Amb27649643 [0,0,0,0,0,2|1,1,0]=4 3425 B9R0.55 O=C(Cl)CCCCC(=O)Cl Amb3940243 [0,0,0,0,0,2|2,0,0]=4 3426 B9R0.55 O=C(Cl)C\C=C\CC(=O)Cl Amb27641016 [0,0,0,0,0,2|2,0,0]=4 3427 B9R0.55 O=C(Cl)OCCOC(=O)Cl Amb22337529 [0,0,0,0,0,2|2,0,0]=4 3428 B9R0.55 O=C(O)C#CCCC(=O)O Amb28050167 [0,0,0,0,0,2|0,0,0]=2 3429 B9R0.55 O=C(O)CCCC=C(F)F Amb27831187 [0,0,0,0,0,2|2,0,0]=4 3430 B9R0.55 O=C(O)CCCCC(=O)Cl Amb27614847 [0,0,0,0,0,2|1,0,0]=3 3431 B9R0.55 O=C(O)CCCCC(=O)O Amb22167453 [0,0,0,0,0,2|0,0,0]=2 3432 B9R0.55 O=C(O)CCCCC(=O)O Amb22336279 [0,0,0,0,0,2|0,0,0]=2 3433 B9R0.55 O=C(O)CCCCC(=O)O Amb2793031 [0,0,0,0,0,2|0,0,0]=2 3434 B9R0.55 O=C(O)CCCCC(O)O Amb28143854 [0,0,0,0,0,2|0,0,2]=4 3435 B9R0.55 O=C(O)CCNCC(=O)O Amb18098292 [0,0,0,0,0,2|0,0,0]=2 3436 B9R0.55 O=C(O)CNNCC(=O)O Amb23438062 [0,0,0,0,0,2|0,0,0]=2 3437 B9R0.55 O=C(O)CSSCC(=O)O Amb8395267 [0,0,0,0,0,2|0,0,0]=2 3438 B9R0.55 O=C(O)C\C=C\CC(=O)O Amb4037278 [0,0,0,0,0,2|0,0,0]=2 3439 B9R0.55 O=C(O)C\N=N/CC(=O)O Amb28188728 [0,0,0,0,0,2|0,0,0]=2 3440 B9R0.55 O=C(O)C\N=N\CC(=O)O Amb27882019 [0,0,0,0,0,2|0,0,0]=2 3441 B9R0.55 O=C(O)\C=C/C=C\C(=O)O Amb8515202 [0,0,0,0,0,2|0,0,2]=4 3442 B9R0.55 O=C(O)\C=C\C=C\C(=O)O Amb31285477 [0,0,0,0,0,2|0,0,2]=4 3443 B9R0.55 O=C(O)\C=C\CCC(=O)O Amb20622952 [0,0,0,0,0,2|0,0,0]=2 3444 B9R0.55 O=C(O)\C=C\SCC(=O)O Amb18645625 [0,0,0,0,0,2|0,0,1]=3 3445 B9R0.55 O=C([O-])CCCCC(=O)[O-] Amb22168121 [0,0,0,0,0,2|0,0,2]=4