0 B7R0.6 C=C(Br)CCC(=O)O Amb18648212 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.6 C=C(Br)CNC(N)=O Amb27956072 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 C=C(Br)\C=C\C(=O)O Amb26530913 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.6 C=C(C)C#CC(C)=O Amb28316172 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.6 C=C(C)CCB(O)O Amb28316164 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.6 C=C(C)CCC(=O)O Amb18641793 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.6 C=C(C)CCC(C)=O Amb9024770 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.6 C=C(C)CCC(C)Br Amb27878705 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.6 C=C(C)CCC(C)N Amb18641752 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.6 C=C(C)CCC(C)O Amb24062974 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.6 C=C(C)CCC(N)=O Amb27838318 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.6 C=C(C)CCN(C)C Amb28187650 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.6 C=C(C)CC[C@@H](C)N Amb33199549 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.6 C=C(C)CC[C@@H](C)O Amb22896943 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.6 C=C(C)CC[C@H](C)N Amb33199548 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.6 C=C(C)CC[C@H](C)O Amb26446405 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.6 C=C(C)CC[N+](=O)[O-] Amb33199531 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.6 C=C(C)CNC(N)=O Amb28385347 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.6 C=C(C)CNC(N)=S Amb19372825 [0,0,0,0,0,0|3,1,0]=4 19 B7R0.6 C=C(C)CNC(O)=S Amb28240718 [0,0,0,0,0,0|2,1,0]=3 20 B7R0.6 C=C(C)CNS(C)=O Amb27245040 [0,0,0,0,0,0|4,0,0]=4 21 B7R0.6 C=C(C)COC(C)=O Amb16187121 [0,0,0,0,0,0|3,0,0]=3 22 B7R0.6 C=C(C)COC(N)=O Amb4017509 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.6 C=C(C)NCC(=O)O Amb9173757 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.6 C=C(C)OCC(C)=O Amb27802616 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.6 C=C(C)\C=C/C(C)=O Amb28061353 [0,0,0,0,0,0|2,0,2]=4 26 B7R0.6 C=C(C)\C=C\C(=O)O Amb17593153 [0,0,0,0,0,0|1,0,2]=3 27 B7R0.6 C=C(C)\C=C\C(C)=O Amb33172526 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.6 C=C(Cl)CCC(=O)O Amb18642971 [0,0,0,0,0,0|1,0,1]=2 29 B7R0.6 C=C(Cl)CCC(C)=O Amb28316194 [0,0,0,0,0,0|2,0,0]=2 30 B7R0.6 C=C(Cl)COC(C)=O Amb24744447 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.6 C=C(Cl)CSC(C)=O Amb21960981 [0,0,0,0,0,0|3,0,0]=3 32 B7R0.6 C=C(N)CCC(=O)O Amb27629351 [0,0,0,0,0,0|1,0,1]=2 33 B7R0.6 C=C(O)\C=C\C(=O)O Amb26391061 [0,0,0,0,0,0|0,0,4]=4 34 B7R0.6 CC(=N)NCC(N)=O Amb27601983 [0,0,0,0,0,0|3,0,0]=3 35 B7R0.6 CC(=O)C#C[C@@H](C)O Amb27854924 [0,0,0,0,0,0|1,0,3]=4 36 B7R0.6 CC(=O)CC=C(C)C Amb17593170 [0,0,0,0,0,0|2,0,1]=3 37 B7R0.6 CC(=O)CCB(O)O Amb25095502 [0,0,0,0,0,0|1,0,1]=2 38 B7R0.6 CC(=O)CCC(=O)O Amb534169 [0,0,0,0,0,0|0,0,0]=0 39 B7R0.6 CC(=O)CCC(=S)Cl Amb28049019 [0,0,0,0,0,0|1,1,0]=2 40 B7R0.6 CC(=O)CCC(C)=O Amb2793010 [0,0,0,0,0,0|1,0,0]=1 41 B7R0.6 CC(=O)CCC(C)=S Amb27226729 [0,0,0,0,0,0|1,1,0]=2 42 B7R0.6 CC(=O)CCC(C)Br Amb27424770 [0,0,0,0,0,0|2,0,1]=3 43 B7R0.6 CC(=O)CCC(C)C Amb4605991 [0,0,0,0,0,0|2,0,1]=3 44 B7R0.6 CC(=O)CCC(C)O Amb25829594 [0,0,0,0,0,0|1,0,1]=2 45 B7R0.6 CC(=O)CCC(F)F Amb27413848 [0,0,0,0,0,0|2,0,1]=3 46 B7R0.6 CC(=O)CCC(N)=O Amb17142854 [0,0,0,0,0,0|1,0,0]=1 47 B7R0.6 CC(=O)CCC(O)=S Amb27267983 [0,0,0,0,0,0|0,1,0]=1 48 B7R0.6 CC(=O)CCN(C)C Amb1129203 [0,0,0,0,0,0|3,0,0]=3 49 B7R0.6 CC(=O)CCN(C)C Amb343601 [0,0,0,0,0,0|3,0,0]=3 50 B7R0.6 CC(=O)CC[C@@H](C)O Amb22351150 [0,0,0,0,0,0|1,0,1]=2 51 B7R0.6 CC(=O)CC[N+](=O)[O-] Amb18198961 [0,0,0,0,0,0|1,0,1]=2 52 B7R0.6 CC(=O)CNC(C)=O Amb6297294 [0,0,0,0,0,0|2,0,0]=2 53 B7R0.6 CC(=O)CNC(C)C Amb28126943 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.6 CC(=O)CNC(C)C Amb32661638 [0,0,0,0,0,0|3,0,1]=4 55 B7R0.6 CC(=O)CNS(C)=O Amb27243778 [0,0,0,0,0,0|3,0,0]=3 56 B7R0.6 CC(=O)COC(C)=O Amb8517567 [0,0,0,0,0,0|2,0,0]=2 57 B7R0.6 CC(=O)COC(C)C Amb9665256 [0,0,0,0,0,0|3,0,1]=4 58 B7R0.6 CC(=O)COC(F)F Amb27636211 [0,0,0,0,0,0|3,0,1]=4 59 B7R0.6 CC(=O)COP(Cl)Cl Amb28048984 [0,0,0,0,0,0|4,0,0]=4 60 B7R0.6 CC(=O)CSC(C)C Amb22549127 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.6 CC(=O)C\C=C(\C)Cl Amb27880641 [0,0,0,0,0,0|2,0,1]=3 62 B7R0.6 CC(=O)NC=C(Cl)Cl Amb2793550 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.6 CC(=O)NCB(O)O Amb8392097 [0,0,0,0,0,0|2,0,1]=3 64 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [0,0,0,0,0,0|1,0,0]=1 65 B7R0.6 CC(=O)NCC(C)C Amb3364211 [0,0,0,0,0,0|3,0,1]=4 66 B7R0.6 CC(=O)NCC(C)N Amb18631377 [0,0,0,0,0,0|3,0,1]=4 67 B7R0.6 CC(=O)NCC(C)O Amb9276316 [0,0,0,0,0,0|2,0,1]=3 68 B7R0.6 CC(=O)NCC(Cl)Cl Amb27978268 [0,0,0,0,0,0|3,0,1]=4 69 B7R0.6 CC(=O)NCC(F)F Amb27961410 [0,0,0,0,0,0|3,0,1]=4 70 B7R0.6 CC(=O)NCC(N)=O Amb17231824 [0,0,0,0,0,0|2,0,0]=2 71 B7R0.6 CC(=O)NCC(N)=S Amb17231879 [0,0,0,0,0,0|2,1,0]=3 72 B7R0.6 CC(=O)NCN(C)C Amb27838840 [0,0,0,0,0,0|4,0,0]=4 73 B7R0.6 CC(=O)NN=C(C)C Amb1047247 [0,0,0,0,0,0|4,0,0]=4 74 B7R0.6 CC(=O)NNC(=N)N Amb26503440 [0,0,0,0,0,0|4,0,0]=4 75 B7R0.6 CC(=O)NNC(C)=O Amb8516143 [0,0,0,0,0,0|3,0,0]=3 76 B7R0.6 CC(=O)NNC(N)=S Amb2543737 [0,0,0,0,0,0|3,1,0]=4 77 B7R0.6 CC(=O)N\N=C(/C)N Amb26548898 [0,0,0,0,0,0|4,0,0]=4 78 B7R0.6 CC(=O)OCC(=O)Cl Amb3939160 [0,0,0,0,0,0|2,0,0]=2 79 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [0,0,0,0,0,0|1,0,0]=1 80 B7R0.6 CC(=O)OCC(C)Br Amb25360690 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.6 CC(=O)OCC(C)O Amb24056158 [0,0,0,0,0,0|2,0,1]=3 82 B7R0.6 CC(=O)OCC(F)F Amb10839327 [0,0,0,0,0,0|3,0,1]=4 83 B7R0.6 CC(=O)OCC(N)=O Amb24670486 [0,0,0,0,0,0|2,0,0]=2 84 B7R0.6 CC(=O)OCC(N)=S Amb9677330 [0,0,0,0,0,0|2,1,0]=3 85 B7R0.6 CC(=O)OC[C@H](C)Br Amb27878701 [0,0,0,0,0,0|3,0,1]=4 86 B7R0.6 CC(=O)OC[C@H](C)O Amb28315156 [0,0,0,0,0,0|2,0,1]=3 87 B7R0.6 CC(=O)ON=C(C)C Amb2781649 [0,0,0,0,0,0|4,0,0]=4 88 B7R0.6 CC(=O)ONC(N)=O Amb28456585 [0,0,0,0,0,0|3,0,0]=3 89 B7R0.6 CC(=O)O\N=C(/C)N Amb28145058 [0,0,0,0,0,0|4,0,0]=4 90 B7R0.6 CC(=O)SCB(O)O Amb27456620 [0,0,0,0,0,0|2,0,1]=3 91 B7R0.6 CC(=O)SCC(=O)Cl Amb24451416 [0,0,0,0,0,0|2,0,0]=2 92 B7R0.6 CC(=O)SCC(C)O Amb27801534 [0,0,0,0,0,0|2,0,1]=3 93 B7R0.6 CC(=O)SCC(Cl)Cl Amb4012737 [0,0,0,0,0,0|3,0,1]=4 94 B7R0.6 CC(=O)SCC(N)=O Amb22353247 [0,0,0,0,0,0|2,0,0]=2 95 B7R0.6 CC(=O)SSC(C)=O Amb24099405 [0,0,0,0,0,0|3,0,0]=3 96 B7R0.6 CC(=O)\C=C/C(O)O Amb27834325 [0,0,0,0,0,0|0,0,4]=4 97 B7R0.6 CC(=O)\C=C\C(=O)O Amb2722867 [0,0,0,0,0,0|0,0,2]=2 98 B7R0.6 CC(=O)\C=C\C(C)=O Amb22346013 [0,0,0,0,0,0|1,0,2]=3 99 B7R0.6 CC(=O)\C=C\C(N)=O Amb24516266 [0,0,0,0,0,0|1,0,2]=3 100 B7R0.6 CC(=O)\N=C\C(=O)O Amb27262053 [0,0,0,0,0,0|1,0,1]=2 101 B7R0.6 CC(=O)\N=C\C(C)O Amb27457691 [0,0,0,0,0,0|2,0,2]=4 102 B7R0.6 CC(=S)NCC(=O)O Amb24325138 [0,0,0,0,0,0|1,1,0]=2 103 B7R0.6 CC(=S)SCC(=O)O Amb25963237 [0,0,0,0,0,0|1,1,0]=2 104 B7R0.6 CC(Br)CCC(=O)O Amb18124528 [0,0,0,0,0,0|1,0,1]=2 105 B7R0.6 CC(C)=CCC(=O)O Amb6274419 [0,0,0,0,0,0|1,0,1]=2 106 B7R0.6 CC(C)=CCC(=O)[O-] Amb22491058 [0,0,0,0,0,0|1,0,2]=3 107 B7R0.6 CC(C)=CC[C@@H](C)O Amb28315798 [0,0,0,0,0,0|2,0,2]=4 108 B7R0.6 CC(C)=NCC(N)=O Amb27489401 [0,0,0,0,0,0|3,0,0]=3 109 B7R0.6 CC(C)=NNC(N)=O Amb6366342 [0,0,0,0,0,0|4,0,0]=4 110 B7R0.6 CC(C)C#CC(=O)O Amb33544341 [0,0,0,0,0,0|1,0,3]=4 111 B7R0.6 CC(C)CCB(O)O Amb13890540 [0,0,0,0,0,0|2,0,2]=4 112 B7R0.6 CC(C)CCC(=N)N Amb19890005 [0,0,0,0,0,0|3,0,1]=4 113 B7R0.6 CC(C)CCC(=N)N Amb6266403 [0,0,0,0,0,0|3,0,1]=4 114 B7R0.6 CC(C)CCC(=O)Cl Amb3941047 [0,0,0,0,0,0|2,0,1]=3 115 B7R0.6 CC(C)CCC(=O)O Amb1153016 [0,0,0,0,0,0|1,0,1]=2 116 B7R0.6 CC(C)CCC(C)O Amb9748244 [0,0,0,0,0,0|2,0,2]=4 117 B7R0.6 CC(C)CCC(N)=O Amb8997711 [0,0,0,0,0,0|2,0,1]=3 118 B7R0.6 CC(C)CCC(N)=S Amb6248593 [0,0,0,0,0,0|2,1,1]=4 119 B7R0.6 CC(C)CCN(C)O Amb33361677 [0,0,0,0,0,0|3,0,1]=4 120 B7R0.6 CC(C)CCS(=O)Cl Amb27201771 [0,0,0,0,0,0|3,0,1]=4 121 B7R0.6 CC(C)CCS(=O)[O-] Amb25914733 [0,0,0,0,0,0|2,0,2]=4 122 B7R0.6 CC(C)CCS(N)=O Amb32720359 [0,0,0,0,0,0|3,0,1]=4 123 B7R0.6 CC(C)CC[C@@H](C)O Amb26500468 [0,0,0,0,0,0|2,0,2]=4 124 B7R0.6 CC(C)CC[C@H](C)O Amb27768728 [0,0,0,0,0,0|2,0,2]=4 125 B7R0.6 CC(C)CC[N+](=O)[O-] Amb17672612 [0,0,0,0,0,0|2,0,2]=4 126 B7R0.6 CC(C)CNC(=O)Cl Amb35637064 [0,0,0,0,0,0|3,0,1]=4 127 B7R0.6 CC(C)CNC(N)=O Amb1151241 [0,0,0,0,0,0|3,0,1]=4 128 B7R0.6 CC(C)CNC(O)=S Amb27597328 [0,0,0,0,0,0|2,1,1]=4 129 B7R0.6 CC(C)COC(=O)Cl Amb3940231 [0,0,0,0,0,0|3,0,1]=4 130 B7R0.6 CC(C)COC(N)=O Amb4020010 [0,0,0,0,0,0|3,0,1]=4 131 B7R0.6 CC(C)CON(=O)O Amb33780821 [0,0,0,0,0,0|3,0,1]=4 132 B7R0.6 CC(C)CO[PH](=O)O Amb27252350 [0,0,0,0,0,0|3,0,1]=4 133 B7R0.6 CC(C)CSC(=O)Cl Amb22337028 [0,0,0,0,0,0|3,0,1]=4 134 B7R0.6 CC(C)NCC(=O)Cl Amb27441169 [0,0,0,0,0,0|3,0,1]=4 135 B7R0.6 CC(C)NCC(=O)O Amb2372347 [0,0,0,0,0,0|2,0,1]=3 136 B7R0.6 CC(C)NCC(=O)O Amb6892753 [0,0,0,0,0,0|2,0,1]=3 137 B7R0.6 CC(C)NCC(N)=O Amb2370772 [0,0,0,0,0,0|3,0,1]=4 138 B7R0.6 CC(C)NCC(N)=O Amb399843 [0,0,0,0,0,0|3,0,1]=4 139 B7R0.6 CC(C)OCC(=O)Cl Amb28041673 [0,0,0,0,0,0|3,0,1]=4 140 B7R0.6 CC(C)OCC(=O)O Amb6275796 [0,0,0,0,0,0|2,0,1]=3 141 B7R0.6 CC(C)OCC(N)=O Amb26515707 [0,0,0,0,0,0|3,0,1]=4 142 B7R0.6 CC(C)SCC(=O)O Amb1128460 [0,0,0,0,0,0|2,0,1]=3 143 B7R0.6 CC(C)\C=C\C(=O)O Amb8517064 [0,0,0,0,0,0|1,0,3]=4 144 B7R0.6 CC(Cl)C#CC(=O)O Amb28410751 [0,0,0,0,0,0|1,0,3]=4 145 B7R0.6 CC(Cl)CCB(O)O Amb26366806 [0,0,0,0,0,0|2,0,2]=4 146 B7R0.6 CC(Cl)CCC(=O)Cl Amb22229744 [0,0,0,0,0,0|2,0,1]=3 147 B7R0.6 CC(Cl)CCS(=O)Cl Amb32720414 [0,0,0,0,0,0|3,0,1]=4 148 B7R0.6 CC(Cl)CCS(=O)[O-] Amb32755731 [0,0,0,0,0,0|2,0,2]=4 149 B7R0.6 CC(Cl)CCS(N)=O Amb32720415 [0,0,0,0,0,0|3,0,1]=4 150 B7R0.6 CC(F)CCS(=O)Cl Amb32720694 [0,0,0,0,0,0|3,0,1]=4 151 B7R0.6 CC(F)CCS(=O)[O-] Amb32754854 [0,0,0,0,0,0|2,0,2]=4 152 B7R0.6 CC(F)CCS(N)=O Amb32720695 [0,0,0,0,0,0|3,0,1]=4 153 B7R0.6 CC(I)CCC(=O)O Amb25938596 [0,0,0,0,0,0|1,0,1]=2 154 B7R0.6 CC(N)C#CC(=O)O Amb27876109 [0,0,0,0,0,0|1,0,3]=4 155 B7R0.6 CC(N)CCC(=O)O Amb17593212 [0,0,0,0,0,0|1,0,1]=2 156 B7R0.6 CC(N)CCC(=O)O Amb19515603 [0,0,0,0,0,0|1,0,1]=2 157 B7R0.6 CC(N)CCC(C)O Amb18641930 [0,0,0,0,0,0|2,0,2]=4 158 B7R0.6 CC(N)CCP(O)O Amb27468069 [0,0,0,0,0,0|2,0,2]=4 159 B7R0.6 CC(N)CCS(=O)O Amb27839082 [0,0,0,0,0,0|2,0,1]=3 160 B7R0.6 CC(N)CCS(C)=O Amb19337158 [0,0,0,0,0,0|3,0,1]=4 161 B7R0.6 CC(N)CCS(C)=O Amb22059582 [0,0,0,0,0,0|3,0,1]=4 162 B7R0.6 CC(N)CC[N+](=O)[O-] Amb33745572 [0,0,0,0,0,0|2,0,2]=4 163 B7R0.6 CC(N)CC[PH](=O)O Amb27221659 [0,0,0,0,0,0|2,0,1]=3 164 B7R0.6 CC(N)CNC(N)=O Amb18202688 [0,0,0,0,0,0|3,0,1]=4 165 B7R0.6 CC(N)COC(N)=O Amb29849466 [0,0,0,0,0,0|3,0,1]=4 166 B7R0.6 CC(N)SCC(=O)O Amb27401691 [0,0,0,0,0,0|2,0,1]=3 167 B7R0.6 CC(N)\C=C\C(=O)O Amb33804531 [0,0,0,0,0,0|1,0,3]=4 168 B7R0.6 CC(O)C#CC(=O)O Amb27803065 [0,0,0,0,0,0|0,0,4]=4 169 B7R0.6 CC(O)CCB(O)O Amb24594819 [0,0,0,0,0,0|1,0,3]=4 170 B7R0.6 CC(O)CCC(=N)N Amb29849256 [0,0,0,0,0,0|2,0,2]=4 171 B7R0.6 CC(O)CCC(=O)O Amb18294804 [0,0,0,0,0,0|0,0,2]=2 172 B7R0.6 CC(O)CCC(=O)[O-] Amb32729478 [0,0,0,0,0,0|0,0,3]=3 173 B7R0.6 CC(O)CCC(C)O Amb2688714 [0,0,0,0,0,0|1,0,3]=4 174 B7R0.6 CC(O)CCC(N)=S Amb28078352 [0,0,0,0,0,0|1,1,2]=4 175 B7R0.6 CC(O)CCN(C)C Amb26489582 [0,0,0,0,0,0|3,0,1]=4 176 B7R0.6 CC(O)CCS(=O)[O-] Amb27662317 [0,0,0,0,0,0|1,0,3]=4 177 B7R0.6 CC(O)COC(N)=O Amb26359577 [0,0,0,0,0,0|2,0,2]=4 178 B7R0.6 CC(O)COS(C)=O Amb27982299 [0,0,0,0,0,0|3,0,1]=4 179 B7R0.6 CC(S)CCC(=O)O Amb8471198 [0,0,0,0,0,0|0,1,1]=2 180 B7R0.6 CC(S)CCC(N)=O Amb28399630 [0,0,0,0,0,0|1,1,1]=3 181 B7R0.6 CN(C)CCB(O)O Amb27787216 [0,0,0,0,0,0|3,0,1]=4 182 B7R0.6 CN(C)CCC(=N)N Amb2695941 [0,0,0,0,0,0|4,0,0]=4 183 B7R0.6 CN(C)CCC(=N)N Amb33551563 [0,0,0,0,0,0|4,0,0]=4 184 B7R0.6 CN(C)CCC(=O)Cl Amb26050113 [0,0,0,0,0,0|3,0,0]=3 185 B7R0.6 CN(C)CCC(=O)Cl Amb32652940 [0,0,0,0,0,0|3,0,0]=3 186 B7R0.6 CN(C)CCC(=O)O Amb19888182 [0,0,0,0,0,0|2,0,0]=2 187 B7R0.6 CN(C)CCC(=O)O Amb6633385 [0,0,0,0,0,0|2,0,0]=2 188 B7R0.6 CN(C)CCC(N)=O Amb17231825 [0,0,0,0,0,0|3,0,0]=3 189 B7R0.6 CN(C)CCC(N)=S Amb6268885 [0,0,0,0,0,0|3,1,0]=4 190 B7R0.6 CN(C)CCC(N)=S Amb6893069 [0,0,0,0,0,0|3,1,0]=4 191 B7R0.6 CN(C)CCS(=O)[O-] Amb32754654 [0,0,0,0,0,0|3,0,1]=4 192 B7R0.6 CN(C)CCS(C)=O Amb27811384 [0,0,0,0,0,0|4,0,0]=4 193 B7R0.6 CN(C)OCC(=O)O Amb28120004 [0,0,0,0,0,0|3,0,0]=3 194 B7R0.6 CN(C)SCC(N)=O Amb27838357 [0,0,0,0,0,0|4,0,0]=4 195 B7R0.6 CN(C)\C=C\C(=O)O Amb25273624 [0,0,0,0,0,0|2,0,2]=4 196 B7R0.6 CN(N)CCC(=O)O Amb2698078 [0,0,0,0,0,0|2,0,0]=2 197 B7R0.6 CN(O)CCC(N)=O Amb27390605 [0,0,0,0,0,0|2,0,1]=3 198 B7R0.6 CN(O)\C=C\C(=O)O Amb27788003 [0,0,0,0,0,0|1,0,3]=4 199 B7R0.6 CS(=O)CCC(=O)O Amb18523762 [0,0,0,0,0,0|1,0,0]=1 200 B7R0.6 CS(=O)CCS(C)=O Amb26455659 [0,0,0,0,0,0|3,0,0]=3 201 B7R0.6 CS(=O)NCC(=O)O Amb25237322 [0,0,0,0,0,0|2,0,0]=2 202 B7R0.6 CS(=O)\C=C/C(N)=O Amb27815054 [0,0,0,0,0,0|2,0,2]=4 203 B7R0.6 CS(=O)\C=C\C(=O)O Amb18642965 [0,0,0,0,0,0|1,0,2]=3 204 B7R0.6 C[C@@H](N)CCC(=O)O Amb25960628 [0,0,0,0,0,0|1,0,1]=2 205 B7R0.6 C[C@@H](N)CCC(=O)O Amb35753110 [0,0,0,0,0,0|1,0,1]=2 206 B7R0.6 C[C@@H](N)CC[N+](=O)[O-] Amb33731289 [0,0,0,0,0,0|2,0,2]=4 207 B7R0.6 C[C@@H](O)CCN(C)C Amb33272289 [0,0,0,0,0,0|3,0,1]=4 208 B7R0.6 C[C@@H](O)CC[C@@H](C)O Amb4166310 [0,0,0,0,0,0|1,0,3]=4 209 B7R0.6 C[C@@H](O)CNC(N)=O Amb28315793 [0,0,0,0,0,0|2,0,2]=4 210 B7R0.6 C[C@H](N)C#CC(=O)O Amb27644755 [0,0,0,0,0,0|1,0,3]=4 211 B7R0.6 C[C@H](N)CCC(=O)O Amb25047328 [0,0,0,0,0,0|1,0,1]=2 212 B7R0.6 C[C@H](N)CCC(=O)O Amb35752545 [0,0,0,0,0,0|1,0,1]=2 213 B7R0.6 C[C@H](N)CC[N+](=O)[O-] Amb33729333 [0,0,0,0,0,0|2,0,2]=4 214 B7R0.6 C[C@H](O)CCC(=O)O Amb27656596 [0,0,0,0,0,0|0,0,2]=2 215 B7R0.6 C[C@H](O)CCN(C)C Amb33272277 [0,0,0,0,0,0|3,0,1]=4 216 B7R0.6 C[C@H](O)CC[C@@H](C)O Amb26407371 [0,0,0,0,0,0|1,0,3]=4 217 B7R0.6 C[C@H](O)CC[C@H](C)O Amb4166315 [0,0,0,0,0,0|1,0,3]=4 218 B7R0.6 C[C@H](S)CCC(=O)O Amb27170326 [0,0,0,0,0,0|0,1,1]=2 219 B7R0.6 C[S+](C)CCC(=O)O Amb8390782 [0,0,0,0,0,0|2,0,0]=2 220 B7R0.6 C[S+](C)CCC(=O)[O-] Amb20247306 [0,0,0,0,0,0|2,0,1]=3 221 B7R0.6 C\C(Cl)=C/CC(N)=O Amb27750566 [0,0,0,0,0,0|2,0,1]=3 222 B7R0.6 C\C(Cl)=C\CC(=O)O Amb27975492 [0,0,0,0,0,0|1,0,1]=2 223 B7R0.6 C\C(Cl)=N\OC(N)=O Amb27409950 [0,0,0,0,0,0|4,0,0]=4 224 B7R0.6 C\C(N)=N/C[C@H](C)O Amb28049584 [0,0,0,0,0,0|3,0,1]=4 225 B7R0.6 C\C(O)=N\NC(N)=O Amb17777869 [0,0,0,0,0,0|3,0,1]=4 226 B7R0.6 N=C(N)CCC(=N)N Amb2696658 [0,0,0,0,0,0|4,0,0]=4 227 B7R0.6 N=C(N)CCC(N)=O Amb25680023 [0,0,0,0,0,0|3,0,0]=3 228 B7R0.6 N=C(N)NCC(=O)O Amb16231404 [0,0,0,0,0,0|3,0,0]=3 229 B7R0.6 N=C(N)NCC(=O)O Amb2781642 [0,0,0,0,0,0|3,0,0]=3 230 B7R0.6 N=C(N)SCC(=O)O Amb33544354 [0,0,0,0,0,0|3,0,0]=3 231 B7R0.6 N=C(N)SCC(N)=O Amb22261500 [0,0,0,0,0,0|4,0,0]=4 232 B7R0.6 NC(=O)C#CC(N)=O Amb6366606 [0,0,0,0,0,0|2,0,2]=4 233 B7R0.6 NC(=O)CCC(=O)Cl Amb28240580 [0,0,0,0,0,0|2,0,0]=2 234 B7R0.6 NC(=O)CCC(=O)O Amb2967294 [0,0,0,0,0,0|1,0,0]=1 235 B7R0.6 NC(=O)CCC(Cl)Cl Amb32671996 [0,0,0,0,0,0|3,0,1]=4 236 B7R0.6 NC(=O)CCC(N)=O Amb1353209 [0,0,0,0,0,0|2,0,0]=2 237 B7R0.6 NC(=O)CCC(O)O Amb27254204 [0,0,0,0,0,0|1,0,2]=3 238 B7R0.6 NC(=O)CNC(N)=S Amb9212104 [0,0,0,0,0,0|3,1,0]=4 239 B7R0.6 NC(=O)CO[PH](=O)O Amb27392553 [0,0,0,0,0,0|3,0,0]=3 240 B7R0.6 NC(=O)CSC(N)=S Amb27642551 [0,0,0,0,0,0|3,1,0]=4 241 B7R0.6 NC(=O)NCC(=O)O Amb6366364 [0,0,0,0,0,0|2,0,0]=2 242 B7R0.6 NC(=O)NNC(N)=O Amb6366265 [0,0,0,0,0,0|4,0,0]=4 243 B7R0.6 NC(=O)\C=C/C(=O)O Amb2719749 [0,0,0,0,0,0|1,0,2]=3 244 B7R0.6 NC(=O)\C=C/C(N)=O Amb4292114 [0,0,0,0,0,0|2,0,2]=4 245 B7R0.6 NC(=O)\C=C\C(=O)O Amb9277095 [0,0,0,0,0,0|1,0,2]=3 246 B7R0.6 NC(=O)\C=C\C(N)=O Amb6334811 [0,0,0,0,0,0|2,0,2]=4 247 B7R0.6 NC(=O)\N=C\C(=O)O Amb27592464 [0,0,0,0,0,0|2,0,1]=3 248 B7R0.6 NC(=S)CCC(=O)O Amb18102382 [0,0,0,0,0,0|1,1,0]=2 249 B7R0.6 NC(=S)NCC(=O)O Amb9786290 [0,0,0,0,0,0|2,1,0]=3 250 B7R0.6 NC(=[NH2+])NCC(=O)[O-] Amb4244207 [0,0,0,0,0,0|3,0,1]=4 251 B7R0.6 NS(=O)CC[N+](=O)[O-] Amb32720434 [0,0,0,0,0,0|3,0,1]=4 252 B7R0.6 O=C(Cl)CCC(=O)Cl Amb3940240 [0,0,0,0,0,0|2,0,0]=2 253 B7R0.6 O=C(Cl)SSC(=O)Cl Amb33465476 [0,0,0,0,0,0|4,0,0]=4 254 B7R0.6 O=C(Cl)\C=C\C(=O)Cl Amb8513635 [0,0,0,0,0,0|2,0,2]=4 255 B7R0.6 O=C(O)C#CC(=O)O Amb6297768 [0,0,0,0,0,0|1,0,2]=3 256 B7R0.6 O=C(O)CC=C(Cl)Cl Amb17593875 [0,0,0,0,0,0|2,0,1]=3 257 B7R0.6 O=C(O)CCB(O)O Amb24640288 [0,0,0,0,0,0|2,0,1]=3 258 B7R0.6 O=C(O)CCC(=O)O Amb22168124 [0,0,0,0,0,0|1,0,0]=1 259 B7R0.6 O=C(O)CCC(=O)O Amb2792874 [0,0,0,0,0,0|1,0,0]=1 260 B7R0.6 O=C(O)CCC(Cl)Cl Amb25059214 [0,0,0,0,0,0|2,0,1]=3 261 B7R0.6 O=C(O)CCC(F)F Amb20623135 [0,0,0,0,0,0|2,0,1]=3 262 B7R0.6 O=C(O)CCN(F)F Amb28370344 [0,0,0,0,0,0|3,0,0]=3 263 B7R0.6 O=C(O)CCP(O)O Amb27424479 [0,0,0,0,0,0|2,0,1]=3 264 B7R0.6 O=C(O)CCS(=O)O Amb27144832 [0,0,0,0,0,0|2,0,0]=2 265 B7R0.6 O=C(O)CC[N+](=O)[O-] Amb10843224 [0,0,0,0,0,0|2,0,0]=2 266 B7R0.6 O=C(O)CC[SH](=O)=O Amb27410689 [0,0,0,0,0,0|2,0,0]=2 267 B7R0.6 O=C(O)CNC(=O)S Amb27424662 [0,0,0,0,0,0|2,0,0]=2 268 B7R0.6 O=C(O)CN[N+](=O)[O-] Amb26397226 [0,0,0,0,0,0|3,0,0]=3 269 B7R0.6 O=C(O)COC(=O)Cl Amb27199161 [0,0,0,0,0,0|2,0,0]=2 270 B7R0.6 O=C(O)COC(F)F Amb26635492 [0,0,0,0,0,0|3,0,1]=4 271 B7R0.6 O=C(O)CSC(F)F Amb9215372 [0,0,0,0,0,0|3,0,1]=4 272 B7R0.6 O=C(O)\C=C/C(=O)O Amb2792876 [0,0,0,0,0,0|1,0,2]=3 273 B7R0.6 O=C(O)\C=C\C(=O)Cl Amb25890079 [0,0,0,0,0,0|1,0,2]=3 274 B7R0.6 O=C(O)\C=C\C(=O)O Amb6608657 [0,0,0,0,0,0|1,0,2]=3 275 B7R0.6 O=C(O)\C=C\C(=O)O Amb8513055 [0,0,0,0,0,0|1,0,2]=3 276 B7R0.6 O=C(O)\C=C\C(=O)S Amb27468769 [0,0,0,0,0,0|1,0,2]=3 277 B7R0.6 O=C(O)\C=C\[N+](=O)[O-] Amb25736416 [0,0,0,0,0,0|2,0,2]=4 278 B7R0.6 O=C([O-])C#CC(=O)O Amb19748298 [0,0,0,0,0,0|1,0,2]=3 279 B7R0.6 O=C([O-])C#CC(=O)O Amb2721628 [0,0,0,0,0,0|1,0,2]=3 280 B7R0.6 O=C([O-])C#CC(=O)O Amb33620293 [0,0,0,0,0,0|1,0,2]=3 281 B7R0.6 O=C([O-])C#CC(=O)[O-] Amb29844449 [0,0,0,0,0,0|1,0,3]=4 282 B7R0.6 O=C([O-])CCC(=O)[O-] Amb33512742 [0,0,0,0,0,0|1,0,1]=2 283 B7R0.6 O=C([O-])CCC(=O)[O-] Amb8514379 [0,0,0,0,0,0|1,0,1]=2 284 B7R0.6 O=C([O-])\C=C/C(=O)O Amb22168115 [0,0,0,0,0,0|1,0,2]=3 285 B7R0.6 O=C([O-])\C=C/C(=O)O Amb9787714 [0,0,0,0,0,0|1,0,2]=3 286 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb20246799 [0,0,0,0,0,0|1,0,3]=4 287 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb22002520 [0,0,0,0,0,0|1,0,3]=4 288 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb22043369 [0,0,0,0,0,0|1,0,3]=4 289 B7R0.6 O=[N+]([O-])CCS(=O)Cl Amb32720435 [0,0,0,0,0,0|3,0,1]=4 290 B7R0.6 O=[N+]([O-])CCS(=O)[O-] Amb32754104 [0,0,0,0,0,0|3,0,1]=4 291 B7R0.6 [BH3-]C(=O)NCC(=O)O Amb27478291 [0,0,0,0,0,0|2,0,0]=2 292 B6R0.4 C#CCCC(=C)C Amb18634222 [1,0,0,0,0,0|2,0,1]=4 293 B6R0.4 C#CCCC(=O)Cl Amb26949181 [1,0,0,0,0,0|1,0,2]=4 294 B6R0.4 C#CCCC(=O)O Amb33532622 [1,0,0,0,0,0|0,0,2]=3 295 B6R0.4 C#CCCC(=O)[O-] Amb22232009 [1,0,0,0,0,0|0,0,3]=4 296 B6R0.4 C#CCCC(C)=O Amb8869638 [1,0,0,0,0,0|1,0,1]=3 297 B6R0.4 C#CCNC(C)=O Amb20623038 [1,0,0,0,0,0|2,0,1]=4 298 B6R0.4 C#CCOC(C)=O Amb8517415 [1,0,0,0,0,0|2,0,1]=4 299 B6R0.4 C#CCSC(C)=O Amb32683409 [1,0,0,0,0,0|2,0,1]=4 300 B6R0.4 C=C(Br)CCCO Amb27471781 [1,0,0,0,0,0|1,0,2]=4 301 B6R0.4 C=C(C)C#CC=O Amb28050124 [1,0,0,0,0,0|1,0,2]=4 302 B6R0.4 C=C(C)CCC#N Amb2778548 [1,0,0,0,0,0|2,0,1]=4 303 B6R0.4 C=C(C)CCCBr Amb22886717 [1,0,0,0,0,0|2,0,1]=4 304 B6R0.4 C=C(C)CCCC Amb2721685 [1,0,0,0,0,0|2,0,1]=4 305 B6R0.4 C=C(C)CCCCl Amb24089299 [1,0,0,0,0,0|2,0,1]=4 306 B6R0.4 C=C(C)CCCN Amb24761452 [1,0,0,0,0,0|2,0,1]=4 307 B6R0.4 C=C(C)CCCN Amb33534233 [1,0,0,0,0,0|2,0,1]=4 308 B6R0.4 C=C(C)CCCO Amb22886814 [1,0,0,0,0,0|1,0,1]=3 309 B6R0.4 C=C(C)CCCS Amb33198962 [1,0,0,0,0,0|1,1,1]=4 310 B6R0.4 C=C(C)CCNC Amb18993045 [1,0,0,0,0,0|3,0,0]=4 311 B6R0.4 C=C(C)CCOC Amb33546340 [1,0,0,0,0,0|3,0,0]=4 312 B6R0.4 C=C(C)CCON Amb25862621 [1,0,0,0,0,0|3,0,0]=4 313 B6R0.4 C=C(C)CCSC Amb28400079 [1,0,0,0,0,0|3,0,0]=4 314 B6R0.4 C=C(C)CN=C=O Amb26456601 [1,0,0,0,0,0|2,0,1]=4 315 B6R0.4 C=C(C)\C=C\C=O Amb18120435 [1,0,0,0,0,0|1,0,2]=4 316 B6R0.4 C=C(Cl)CCCO Amb28065233 [1,0,0,0,0,0|1,0,2]=4 317 B6R0.4 C=C(F)CCCO Amb25811029 [1,0,0,0,0,0|1,0,2]=4 318 B6R0.4 C=C=CCC(=O)O Amb26657414 [1,0,0,0,0,0|0,0,3]=4 319 B6R0.4 C=CCCB(O)O Amb10067042 [1,0,0,0,0,0|1,0,2]=4 320 B6R0.4 C=CCCC(=C)C Amb22228883 [1,0,0,0,0,0|2,0,0]=3 321 B6R0.4 C=CCCC(=N)N Amb25326954 [1,0,0,0,0,0|2,0,1]=4 322 B6R0.4 C=CCCC(=O)Cl Amb3939003 [1,0,0,0,0,0|1,0,1]=3 323 B6R0.4 C=CCCC(=O)O Amb3940112 [1,0,0,0,0,0|0,0,1]=2 324 B6R0.4 C=CCCC(C)=O Amb2721704 [1,0,0,0,0,0|1,0,0]=2 325 B6R0.4 C=CCCC(C)Br Amb20669632 [1,0,0,0,0,0|2,0,1]=4 326 B6R0.4 C=CCCC(C)N Amb18121283 [1,0,0,0,0,0|2,0,1]=4 327 B6R0.4 C=CCCC(C)N Amb35751395 [1,0,0,0,0,0|2,0,1]=4 328 B6R0.4 C=CCCC(C)O Amb22059013 [1,0,0,0,0,0|1,0,2]=4 329 B6R0.4 C=CCCC(C)O Amb34915890 [1,0,0,0,0,0|1,0,2]=4 330 B6R0.4 C=CCCC(C)S Amb17939255 [1,0,0,0,0,0|1,1,1]=4 331 B6R0.4 C=CCCC(N)=O Amb28136349 [1,0,0,0,0,0|1,0,1]=3 332 B6R0.4 C=CCCN(C)C Amb27838193 [1,0,0,0,0,0|3,0,0]=4 333 B6R0.4 C=CCCS(=O)[O-] Amb25680826 [1,0,0,0,0,0|1,0,2]=4 334 B6R0.4 C=CCC[C@@H](C)O Amb19929324 [1,0,0,0,0,0|1,0,2]=4 335 B6R0.4 C=CCC[C@H](C)O Amb22226511 [1,0,0,0,0,0|1,0,2]=4 336 B6R0.4 C=CCNC(C)=N Amb24618156 [1,0,0,0,0,0|3,0,0]=4 337 B6R0.4 C=CCNC(C)=O Amb5797445 [1,0,0,0,0,0|2,0,0]=3 338 B6R0.4 C=CCNC(N)=O Amb6599864 [1,0,0,0,0,0|2,0,1]=4 339 B6R0.4 C=CCOC(=O)Cl Amb6600570 [1,0,0,0,0,0|2,0,1]=4 340 B6R0.4 C=CCOC(N)=O Amb4017585 [1,0,0,0,0,0|2,0,1]=4 341 B6R0.4 C=CNCC(=O)O Amb28346027 [1,0,0,0,0,0|1,0,1]=3 342 B6R0.4 C=COCC(=C)C Amb26873422 [1,0,0,0,0,0|3,0,0]=4 343 B6R0.4 C=COCC(=O)O Amb27247261 [1,0,0,0,0,0|1,0,1]=3 344 B6R0.4 C=COCC(C)=O Amb27838258 [1,0,0,0,0,0|2,0,0]=3 345 B6R0.4 C=C\C=C/C(C)=O Amb27165543 [1,0,0,0,0,0|1,0,2]=4 346 B6R0.4 CC#CCC(=O)O Amb17939740 [1,0,0,0,0,0|0,0,2]=3 347 B6R0.4 CC#CCC(C)=O Amb27648528 [1,0,0,0,0,0|1,0,2]=4 348 B6R0.4 CC(=O)CC#CO Amb27463647 [1,0,0,0,0,0|0,0,2]=3 349 B6R0.4 CC(=O)CCC#N Amb17334046 [1,0,0,0,0,0|1,0,1]=3 350 B6R0.4 CC(=O)CCC=O Amb18639597 [1,0,0,0,0,0|0,0,0]=1 351 B6R0.4 CC(=O)CCCBr Amb8394105 [1,0,0,0,0,0|1,0,1]=3 352 B6R0.4 CC(=O)CCCCl Amb3940272 [1,0,0,0,0,0|1,0,1]=3 353 B6R0.4 CC(=O)CCCF Amb25068187 [1,0,0,0,0,0|1,0,1]=3 354 B6R0.4 CC(=O)CCCN Amb18121547 [1,0,0,0,0,0|1,0,1]=3 355 B6R0.4 CC(=O)CCCN Amb32661221 [1,0,0,0,0,0|1,0,1]=3 356 B6R0.4 CC(=O)CCCN Amb32661286 [1,0,0,0,0,0|1,0,1]=3 357 B6R0.4 CC(=O)CCCO Amb3940340 [1,0,0,0,0,0|0,0,1]=2 358 B6R0.4 CC(=O)CN=C=S Amb27490781 [1,0,0,0,0,0|1,1,1]=4 359 B6R0.4 CC(=O)CN=[N+]=[N-] Amb18114476 [1,0,0,0,0,0|3,0,0]=4 360 B6R0.4 CC(=O)CSC#N Amb9788383 [1,0,0,0,0,0|2,0,1]=4 361 B6R0.4 CC(=O)C\C=N\O Amb27750272 [1,0,0,0,0,0|1,0,1]=3 362 B6R0.4 CC(=O)NCC#N Amb3886527 [1,0,0,0,0,0|2,0,1]=4 363 B6R0.4 CC(=O)NCC=O Amb25757509 [1,0,0,0,0,0|1,0,0]=2 364 B6R0.4 CC(=O)NCCBr Amb4311522 [1,0,0,0,0,0|2,0,1]=4 365 B6R0.4 CC(=O)NCCCl Amb423758 [1,0,0,0,0,0|2,0,1]=4 366 B6R0.4 CC(=O)NCCN Amb1218225 [1,0,0,0,0,0|2,0,1]=4 367 B6R0.4 CC(=O)NCCO Amb2720909 [1,0,0,0,0,0|1,0,1]=3 368 B6R0.4 CC(=O)NCCS Amb22230992 [1,0,0,0,0,0|1,1,1]=4 369 B6R0.4 CC(=O)N\C=C/S Amb27246451 [1,0,0,0,0,0|1,1,1]=4 370 B6R0.4 CC(=O)N\C=C\Cl Amb28132682 [1,0,0,0,0,0|2,0,1]=4 371 B6R0.4 CC(=O)N\C=N\O Amb27255534 [1,0,0,0,0,0|2,0,1]=4 372 B6R0.4 CC(=O)OCC#N Amb9677308 [1,0,0,0,0,0|2,0,1]=4 373 B6R0.4 CC(=O)OCCBr Amb3940209 [1,0,0,0,0,0|2,0,1]=4 374 B6R0.4 CC(=O)OCCN Amb18121947 [1,0,0,0,0,0|2,0,1]=4 375 B6R0.4 CC(=O)OCCN Amb28827650 [1,0,0,0,0,0|2,0,1]=4 376 B6R0.4 CC(=O)OCCO Amb3941004 [1,0,0,0,0,0|1,0,1]=3 377 B6R0.4 CC(=O)O\C=C/Br Amb27484017 [1,0,0,0,0,0|2,0,1]=4 378 B6R0.4 CC(=O)SCC=O Amb27873378 [1,0,0,0,0,0|1,0,0]=2 379 B6R0.4 CC(=O)SCCBr Amb24608039 [1,0,0,0,0,0|2,0,1]=4 380 B6R0.4 CC(=O)SCCN Amb21953963 [1,0,0,0,0,0|2,0,1]=4 381 B6R0.4 CC(=O)SCCN Amb22011516 [1,0,0,0,0,0|2,0,1]=4 382 B6R0.4 CC(=O)SCCN Amb31291049 [1,0,0,0,0,0|2,0,1]=4 383 B6R0.4 CC(=O)SCCO Amb27481182 [1,0,0,0,0,0|1,0,1]=3 384 B6R0.4 CC(=O)\C=C/C=O Amb27424884 [1,0,0,0,0,0|0,0,2]=3 385 B6R0.4 CC(=S)SCCO Amb28350218 [1,0,0,0,0,0|1,1,1]=4 386 B6R0.4 CC(C)=CCC=O Amb18120881 [1,0,0,0,0,0|1,0,1]=3 387 B6R0.4 CC(C)=CCCO Amb22002283 [1,0,0,0,0,0|1,0,2]=4 388 B6R0.4 CC(C)=CNC=O Amb27973472 [1,0,0,0,0,0|2,0,1]=4 389 B6R0.4 CC(C)=NCCO Amb27612560 [1,0,0,0,0,0|2,0,1]=4 390 B6R0.4 CC(C)=NNC=O Amb2419224 [1,0,0,0,0,0|3,0,0]=4 391 B6R0.4 CC(C)CCC=O Amb17673735 [1,0,0,0,0,0|1,0,1]=3 392 B6R0.4 CC(C)CCCO Amb3939329 [1,0,0,0,0,0|1,0,2]=4 393 B6R0.4 CC(C)CCNO Amb27439608 [1,0,0,0,0,0|2,0,1]=4 394 B6R0.4 CC(C)COC=O Amb8513682 [1,0,0,0,0,0|2,0,1]=4 395 B6R0.4 CC(C)OCC=O Amb25820659 [1,0,0,0,0,0|2,0,1]=4 396 B6R0.4 CC(C)SCC=O Amb24479811 [1,0,0,0,0,0|2,0,1]=4 397 B6R0.4 CC(Cl)CCC=O Amb18124284 [1,0,0,0,0,0|1,0,1]=3 398 B6R0.4 CC(Cl)CCCO Amb28138028 [1,0,0,0,0,0|1,0,2]=4 399 B6R0.4 CC(F)CCCO Amb27186289 [1,0,0,0,0,0|1,0,2]=4 400 B6R0.4 CC(N)CCCO Amb17569888 [1,0,0,0,0,0|1,0,2]=4 401 B6R0.4 CC(O)CCC=O Amb17593090 [1,0,0,0,0,0|0,0,2]=3 402 B6R0.4 CC(O)CCCO Amb22227752 [1,0,0,0,0,0|0,0,3]=4 403 B6R0.4 CC(O)COC=O Amb27436963 [1,0,0,0,0,0|1,0,2]=4 404 B6R0.4 CC(S)CCCO Amb24412207 [1,0,0,0,0,0|0,1,2]=4 405 B6R0.4 CC=C=CC(=O)O Amb17593065 [1,0,0,0,0,0|0,0,2]=3 406 B6R0.4 CC=C=C[PH](=O)O Amb27430355 [1,0,0,0,0,0|1,0,2]=4 407 B6R0.4 CCC#CC(=O)O Amb6336503 [1,0,0,0,0,0|0,0,3]=4 408 B6R0.4 CCCCB(O)O Amb2447142 [1,0,0,0,0,0|1,0,2]=4 409 B6R0.4 CCCCC(=N)N Amb10066937 [1,0,0,0,0,0|2,0,1]=4 410 B6R0.4 CCCCC(=N)N Amb2696360 [1,0,0,0,0,0|2,0,1]=4 411 B6R0.4 CCCCC(=O)Cl Amb3939066 [1,0,0,0,0,0|1,0,1]=3 412 B6R0.4 CCCCC(=O)O Amb3939877 [1,0,0,0,0,0|0,0,1]=2 413 B6R0.4 CCCCC(=O)[O-] Amb22056343 [1,0,0,0,0,0|0,0,2]=3 414 B6R0.4 CCCCC(=S)S Amb27195855 [1,0,0,0,0,0|0,2,1]=4 415 B6R0.4 CCCCC(C)=O Amb6608652 [1,0,0,0,0,0|1,0,1]=3 416 B6R0.4 CCCCC(C)O Amb4605977 [1,0,0,0,0,0|1,0,2]=4 417 B6R0.4 CCCCC(N)=O Amb6891958 [1,0,0,0,0,0|1,0,1]=3 418 B6R0.4 CCCCC(N)=S Amb6249558 [1,0,0,0,0,0|1,1,1]=4 419 B6R0.4 CCCCN(C)O Amb33204268 [1,0,0,0,0,0|2,0,1]=4 420 B6R0.4 CCCCS(=O)Cl Amb24551332 [1,0,0,0,0,0|2,0,1]=4 421 B6R0.4 CCCCS(=O)[O-] Amb19889352 [1,0,0,0,0,0|1,0,2]=4 422 B6R0.4 CCCCS(N)=O Amb32720302 [1,0,0,0,0,0|2,0,1]=4 423 B6R0.4 CCCC[C@@H](C)O Amb19929139 [1,0,0,0,0,0|1,0,2]=4 424 B6R0.4 CCCC[C@H](C)O Amb8515092 [1,0,0,0,0,0|1,0,2]=4 425 B6R0.4 CCCC[N+](=O)[O-] Amb6298783 [1,0,0,0,0,0|1,0,2]=4 426 B6R0.4 CCCC[PH](=O)O Amb8391286 [1,0,0,0,0,0|1,0,1]=3 427 B6R0.4 CCCNC(=O)Cl Amb25688616 [1,0,0,0,0,0|2,0,1]=4 428 B6R0.4 CCCNC(C)=O Amb5835710 [1,0,0,0,0,0|2,0,1]=4 429 B6R0.4 CCCNC(N)=O Amb1152241 [1,0,0,0,0,0|2,0,1]=4 430 B6R0.4 CCCOC(=O)Cl Amb10604123 [1,0,0,0,0,0|2,0,1]=4 431 B6R0.4 CCCOC(=O)F Amb32667886 [1,0,0,0,0,0|2,0,1]=4 432 B6R0.4 CCCOC(N)=O Amb6334809 [1,0,0,0,0,0|2,0,1]=4 433 B6R0.4 CCCSC(C)=O Amb22043301 [1,0,0,0,0,0|2,0,1]=4 434 B6R0.4 CCCSC(N)=O Amb27167907 [1,0,0,0,0,0|2,0,1]=4 435 B6R0.4 CCNCC(=O)Cl Amb27948279 [1,0,0,0,0,0|2,0,1]=4 436 B6R0.4 CCNCC(=O)O Amb10609667 [1,0,0,0,0,0|1,0,1]=3 437 B6R0.4 CCNCC(=O)O Amb7764661 [1,0,0,0,0,0|1,0,1]=3 438 B6R0.4 CCNCC(C)=O Amb24545893 [1,0,0,0,0,0|2,0,1]=4 439 B6R0.4 CCNCC(C)=O Amb32661185 [1,0,0,0,0,0|2,0,1]=4 440 B6R0.4 CCNCC(N)=O Amb1128676 [1,0,0,0,0,0|2,0,1]=4 441 B6R0.4 CCNCC(N)=O Amb4035424 [1,0,0,0,0,0|2,0,1]=4 442 B6R0.4 CCOCC(=O)Cl Amb33528415 [1,0,0,0,0,0|2,0,1]=4 443 B6R0.4 CCOCC(=O)O Amb3939880 [1,0,0,0,0,0|1,0,1]=3 444 B6R0.4 CCOCC(=O)S Amb27813482 [1,0,0,0,0,0|1,1,1]=4 445 B6R0.4 CCOCC(C)=O Amb9666086 [1,0,0,0,0,0|2,0,1]=4 446 B6R0.4 CCPCC(=O)O Amb28321137 [1,0,0,0,0,0|1,0,1]=3 447 B6R0.4 CCSCC(=O)O Amb1125185 [1,0,0,0,0,0|1,0,1]=3 448 B6R0.4 CCSCC(C)=O Amb4018179 [1,0,0,0,0,0|2,0,1]=4 449 B6R0.4 CC\C=C/C(=O)O Amb28429841 [1,0,0,0,0,0|0,0,3]=4 450 B6R0.4 CC\C=C\C(=O)O Amb6608967 [1,0,0,0,0,0|0,0,3]=4 451 B6R0.4 CC\N=C\C(=O)O Amb28041425 [1,0,0,0,0,0|1,0,2]=4 452 B6R0.4 CN(C)CCC=O Amb22001057 [1,0,0,0,0,0|2,0,0]=3 453 B6R0.4 CN(C)CCCO Amb3939321 [1,0,0,0,0,0|2,0,1]=4 454 B6R0.4 CN(C)CNC=O Amb27216675 [1,0,0,0,0,0|3,0,0]=4 455 B6R0.4 CNCCC(=O)Cl Amb27422890 [1,0,0,0,0,0|2,0,0]=3 456 B6R0.4 CNCCC(=O)O Amb10609760 [1,0,0,0,0,0|1,0,0]=2 457 B6R0.4 CNCCC(=O)O Amb7766400 [1,0,0,0,0,0|1,0,0]=2 458 B6R0.4 CNCCC(C)=O Amb24560306 [1,0,0,0,0,0|2,0,0]=3 459 B6R0.4 CNCCC(C)=O Amb28827637 [1,0,0,0,0,0|2,0,0]=3 460 B6R0.4 CNCCC(C)O Amb17569889 [1,0,0,0,0,0|2,0,1]=4 461 B6R0.4 CNCCC(C)O Amb34141241 [1,0,0,0,0,0|2,0,1]=4 462 B6R0.4 CNCCC(N)=O Amb19959913 [1,0,0,0,0,0|2,0,0]=3 463 B6R0.4 CNCCC(N)=O Amb33538309 [1,0,0,0,0,0|2,0,0]=3 464 B6R0.4 CNCCN(C)O Amb27628863 [1,0,0,0,0,0|3,0,0]=4 465 B6R0.4 CNCCS(C)=O Amb21984676 [1,0,0,0,0,0|3,0,0]=4 466 B6R0.4 CNCC[C@H](C)O Amb27801301 [1,0,0,0,0,0|2,0,1]=4 467 B6R0.4 CNCC[N+](=O)[O-] Amb35704404 [1,0,0,0,0,0|2,0,1]=4 468 B6R0.4 COCCB(O)O Amb27173037 [1,0,0,0,0,0|2,0,1]=4 469 B6R0.4 COCCC(=N)N Amb2696283 [1,0,0,0,0,0|3,0,0]=4 470 B6R0.4 COCCC(=N)N Amb8630184 [1,0,0,0,0,0|3,0,0]=4 471 B6R0.4 COCCC(=O)Cl Amb2689274 [1,0,0,0,0,0|2,0,0]=3 472 B6R0.4 COCCC(=O)O Amb3938990 [1,0,0,0,0,0|1,0,0]=2 473 B6R0.4 COCCC(C)=O Amb7764907 [1,0,0,0,0,0|2,0,0]=3 474 B6R0.4 COCCC(C)O Amb20621489 [1,0,0,0,0,0|2,0,1]=4 475 B6R0.4 COCCC(N)=O Amb33538943 [1,0,0,0,0,0|2,0,0]=3 476 B6R0.4 COCCC(N)=S Amb6250669 [1,0,0,0,0,0|2,1,0]=4 477 B6R0.4 COCCC(O)Br Amb20242943 [1,0,0,0,0,0|2,0,1]=4 478 B6R0.4 COCCC(O)O Amb28410462 [1,0,0,0,0,0|1,0,2]=4 479 B6R0.4 COCCN(C)O Amb33428857 [1,0,0,0,0,0|3,0,0]=4 480 B6R0.4 COCCS(=O)Cl Amb25914790 [1,0,0,0,0,0|3,0,0]=4 481 B6R0.4 COCCS(=O)[O-] Amb26874008 [1,0,0,0,0,0|2,0,1]=4 482 B6R0.4 COCCS(N)=O Amb32720336 [1,0,0,0,0,0|3,0,0]=4 483 B6R0.4 COCC[C@@H](C)O Amb27237141 [1,0,0,0,0,0|2,0,1]=4 484 B6R0.4 COCC[C@H](C)O Amb26559043 [1,0,0,0,0,0|2,0,1]=4 485 B6R0.4 COCNC(N)=O Amb25744350 [1,0,0,0,0,0|3,0,0]=4 486 B6R0.4 CONCC(N)=O Amb28455463 [1,0,0,0,0,0|3,0,0]=4 487 B6R0.4 CO\C=C\C(=O)O Amb18121767 [1,0,0,0,0,0|1,0,2]=4 488 B6R0.4 CO\N=C\C(=O)O Amb10976081 [1,0,0,0,0,0|2,0,1]=4 489 B6R0.4 CS(=O)CCCN Amb18974527 [1,0,0,0,0,0|2,0,1]=4 490 B6R0.4 CS(=O)CCCN Amb32684177 [1,0,0,0,0,0|2,0,1]=4 491 B6R0.4 CSC#CC(=O)O Amb33309663 [1,0,0,0,0,0|1,0,2]=4 492 B6R0.4 CSCCC(=N)N Amb19373501 [1,0,0,0,0,0|3,0,0]=4 493 B6R0.4 CSCCC(=N)N Amb19516878 [1,0,0,0,0,0|3,0,0]=4 494 B6R0.4 CSCCC(=O)O Amb3939879 [1,0,0,0,0,0|1,0,0]=2 495 B6R0.4 CSCCC(C)=O Amb8392858 [1,0,0,0,0,0|2,0,0]=3 496 B6R0.4 CSCCC(C)O Amb27860401 [1,0,0,0,0,0|2,0,1]=4 497 B6R0.4 CSCCC(N)=S Amb17307559 [1,0,0,0,0,0|2,1,0]=4 498 B6R0.4 CSCCN(=O)=O Amb24179458 [1,0,0,0,0,0|2,0,1]=4 499 B6R0.4 CSCCN(C)O Amb33272058 [1,0,0,0,0,0|3,0,0]=4 500 B6R0.4 CSCC[C@@H](C)O Amb33198759 [1,0,0,0,0,0|2,0,1]=4 501 B6R0.4 CSCC[C@H](C)O Amb33198747 [1,0,0,0,0,0|2,0,1]=4 502 B6R0.4 CSCSC(C)=O Amb27876851 [1,0,0,0,0,0|3,0,0]=4 503 B6R0.4 CSSCC(=O)O Amb25378801 [1,0,0,0,0,0|2,0,0]=3 504 B6R0.4 CS\C=C\C(=O)O Amb30584688 [1,0,0,0,0,0|1,0,2]=4 505 B6R0.4 C[C@@H](Cl)CCC=O Amb27595266 [1,0,0,0,0,0|1,0,1]=3 506 B6R0.4 C[C@@H](Cl)CCCO Amb27233570 [1,0,0,0,0,0|1,0,2]=4 507 B6R0.4 C[C@@H](N)CCCO Amb27602210 [1,0,0,0,0,0|1,0,2]=4 508 B6R0.4 C[C@@H](O)CCCO Amb28047449 [1,0,0,0,0,0|0,0,3]=4 509 B6R0.4 C[C@H](Cl)CCC=O Amb28141995 [1,0,0,0,0,0|1,0,1]=3 510 B6R0.4 C[C@H](O)CCC=O Amb27188424 [1,0,0,0,0,0|0,0,2]=3 511 B6R0.4 C\C(Cl)=C\CCO Amb27956430 [1,0,0,0,0,0|1,0,2]=4 512 B6R0.4 C\C(N)=N\CCO Amb26857579 [1,0,0,0,0,0|2,0,1]=4 513 B6R0.4 C\C(N)=N\OC=O Amb27655517 [1,0,0,0,0,0|3,0,0]=4 514 B6R0.4 C\C=C/CB(O)O Amb27620496 [1,0,0,0,0,0|1,0,2]=4 515 B6R0.4 C\C=C\CC(=N)N Amb25176208 [1,0,0,0,0,0|2,0,1]=4 516 B6R0.4 C\C=C\CC(=O)O Amb3941538 [1,0,0,0,0,0|0,0,1]=2 517 B6R0.4 C\C=C\CC(N)=O Amb26589975 [1,0,0,0,0,0|1,0,1]=3 518 B6R0.4 C\C=C\CS(=O)[O-] Amb26887775 [1,0,0,0,0,0|1,0,2]=4 519 B6R0.4 C\C=C\C[C@H](C)O Amb27662307 [1,0,0,0,0,0|1,0,2]=4 520 B6R0.4 C\C=N\NC(N)=O Amb24351023 [1,0,0,0,0,0|3,0,0]=4 521 B6R0.4 C\N=C\CC(C)=O Amb28202181 [1,0,0,0,0,0|2,0,1]=4 522 B6R0.4 N#CCCC(=O)Cl Amb25106570 [1,0,0,0,0,0|2,0,1]=4 523 B6R0.4 N#CCCC(=O)O Amb2694975 [1,0,0,0,0,0|1,0,1]=3 524 B6R0.4 N#CCCC(N)=O Amb8841150 [1,0,0,0,0,0|2,0,1]=4 525 B6R0.4 N=C(N)CCCO Amb33038287 [1,0,0,0,0,0|2,0,1]=4 526 B6R0.4 N=CNCC(=O)Cl Amb27216499 [1,0,0,0,0,0|3,0,0]=4 527 B6R0.4 N=CNCC(=O)O Amb24670244 [1,0,0,0,0,0|2,0,0]=3 528 B6R0.4 NC(=O)CCCCl Amb1138237 [1,0,0,0,0,0|2,0,1]=4 529 B6R0.4 NC(=O)CCCF Amb28073400 [1,0,0,0,0,0|2,0,1]=4 530 B6R0.4 NC(=O)CCCO Amb20623438 [1,0,0,0,0,0|1,0,1]=3 531 B6R0.4 NC(=O)CCCS Amb27174778 [1,0,0,0,0,0|1,1,1]=4 532 B6R0.4 NC(=O)C\C=C/Cl Amb27593169 [1,0,0,0,0,0|2,0,1]=4 533 B6R0.4 NC(=O)NCCO Amb1146041 [1,0,0,0,0,0|2,0,1]=4 534 B6R0.4 NC(=O)NNC=O Amb27874930 [1,0,0,0,0,0|3,0,0]=4 535 B6R0.4 NC(=O)OCCO Amb20623788 [1,0,0,0,0,0|2,0,1]=4 536 B6R0.4 NC(=S)CCCO Amb9215001 [1,0,0,0,0,0|1,1,1]=4 537 B6R0.4 NC(=S)CNC=O Amb24479904 [1,0,0,0,0,0|2,1,0]=4 538 B6R0.4 NCCCC(=O)Cl Amb1935063 [1,0,0,0,0,0|2,0,1]=4 539 B6R0.4 NCCCC(=O)O Amb1935210 [1,0,0,0,0,0|1,0,1]=3 540 B6R0.4 NCCCC(N)=O Amb2099583 [1,0,0,0,0,0|2,0,1]=4 541 B6R0.4 NCCCC(N)=O Amb6543438 [1,0,0,0,0,0|2,0,1]=4 542 B6R0.4 NCCCS(=O)O Amb25185942 [1,0,0,0,0,0|2,0,1]=4 543 B6R0.4 NCCC[PH](=O)O Amb22370049 [1,0,0,0,0,0|2,0,1]=4 544 B6R0.4 NNCCC(=O)O Amb33756816 [1,0,0,0,0,0|2,0,0]=3 545 B6R0.4 NOCCC(=O)O Amb17569891 [1,0,0,0,0,0|2,0,0]=3 546 B6R0.4 NOCCC(=O)O Amb32693437 [1,0,0,0,0,0|2,0,0]=3 547 B6R0.4 NOCCC(N)=O Amb27838275 [1,0,0,0,0,0|3,0,0]=4 548 B6R0.4 O=C(Br)CCCBr Amb25724818 [1,0,0,0,0,0|2,0,1]=4 549 B6R0.4 O=C(Cl)CCCBr Amb3940241 [1,0,0,0,0,0|2,0,1]=4 550 B6R0.4 O=C(Cl)CCCCl Amb6608638 [1,0,0,0,0,0|2,0,1]=4 551 B6R0.4 O=C(O)CCCBr Amb8393276 [1,0,0,0,0,0|1,0,1]=3 552 B6R0.4 O=C(O)CCCCl Amb3940333 [1,0,0,0,0,0|1,0,1]=3 553 B6R0.4 O=C(O)CCCF Amb17593104 [1,0,0,0,0,0|1,0,1]=3 554 B6R0.4 O=C(O)CCCI Amb22295911 [1,0,0,0,0,0|1,0,1]=3 555 B6R0.4 O=C(O)CCCO Amb18640332 [1,0,0,0,0,0|0,0,2]=3 556 B6R0.4 O=C(O)CCCS Amb16185429 [1,0,0,0,0,0|0,1,1]=3 557 B6R0.4 O=C(O)CCNO Amb28067767 [1,0,0,0,0,0|1,0,1]=3 558 B6R0.4 O=C(O)CCSCl Amb28387511 [1,0,0,0,0,0|2,0,0]=3 559 B6R0.4 O=C(O)COCF Amb33378705 [1,0,0,0,0,0|2,0,1]=4 560 B6R0.4 O=C(O)CPCO Amb28340565 [1,0,0,0,0,0|1,0,2]=4 561 B6R0.4 O=C(O)CSSCl Amb27477882 [1,0,0,0,0,0|3,0,0]=4 562 B6R0.4 O=C(O)C\C=C/Br Amb27483815 [1,0,0,0,0,0|1,0,1]=3 563 B6R0.4 O=C(O)C\C=C\Cl Amb25111871 [1,0,0,0,0,0|1,0,1]=3 564 B6R0.4 O=C(S)NCCO Amb27430045 [1,0,0,0,0,0|2,0,1]=4 565 B6R0.4 O=C([O-])CCCO Amb3429667 [1,0,0,0,0,0|1,0,1]=3 566 B6R0.4 O=C([O-])CNCO Amb8383630 [1,0,0,0,0,0|2,0,1]=4 567 B6R0.4 O=CCCC(=O)O Amb17673897 [1,0,0,0,0,0|0,0,0]=1 568 B6R0.4 O=CCCC(F)F Amb25848573 [1,0,0,0,0,0|2,0,1]=4 569 B6R0.4 O=CCCC(O)O Amb27838257 [1,0,0,0,0,0|0,0,2]=3 570 B6R0.4 O=CCC[N+](=O)[O-] Amb24052990 [1,0,0,0,0,0|1,0,1]=3 571 B6R0.4 O=CNCC(=O)O Amb1911508 [1,0,0,0,0,0|1,0,0]=2 572 B6R0.4 O=COCC(=O)O Amb26624011 [1,0,0,0,0,0|1,0,0]=2 573 B6R0.4 O=C\C=C/C(=O)O Amb26023446 [1,0,0,0,0,0|0,0,2]=3 574 B6R0.4 O=S([O-])CCCO Amb27221257 [1,0,0,0,0,0|2,0,1]=4 575 B6R0.4 O=[N+]([O-])CCCO Amb20247690 [1,0,0,0,0,0|2,0,1]=4 576 B6R0.4 O=[PH](O)CCCO Amb28345330 [1,0,0,0,0,0|1,0,2]=4 577 B6R0.4 [C-]#[N+]CCC(=C)C Amb33199608 [1,0,0,0,0,0|3,0,0]=4 578 B6R0.4 [N-]=[N+]=NCC(=O)O Amb10070956 [1,0,0,0,0,0|3,0,0]=4 579 B8R0.9 BO\C(O)=C/CC(=O)O Amb27797365 [0,1,0,0,0,0|1,0,2]=4 580 B8R0.9 C#CC(=C)CCC(=O)O Amb27655639 [0,1,0,0,0,0|1,0,1]=3 581 B8R0.9 C#CC(=C)CCC(C)=O Amb27179805 [0,1,0,0,0,0|2,0,0]=3 582 B8R0.9 C#CC(=O)CCN(C)C Amb28198080 [0,1,0,0,0,0|3,0,0]=4 583 B8R0.9 C#CC(=O)NCC(=O)O Amb6270091 [0,1,0,0,0,0|1,0,1]=3 584 B8R0.9 C#CC(C)CCC(N)=O Amb27602261 [0,1,0,0,0,0|2,0,1]=4 585 B8R0.9 C#CC(C)NCC(=O)O Amb27207997 [0,1,0,0,0,0|2,0,1]=4 586 B8R0.9 C#CC(C)SCC(=O)O Amb27168265 [0,1,0,0,0,0|2,0,1]=4 587 B8R0.9 C#CC(F)CCC(=O)O Amb28041990 [0,1,0,0,0,0|1,0,2]=4 588 B8R0.9 C#CC(N)CCC(=O)O Amb22352566 [0,1,0,0,0,0|1,0,2]=4 589 B8R0.9 C=C(Br)CNC(=O)CBr Amb23570568 [0,1,0,0,0,0|3,0,0]=4 590 B8R0.9 C=C(Br)CNC(=O)CC Amb27424062 [0,1,0,0,0,0|3,0,0]=4 591 B8R0.9 C=C(Br)CNC(=O)CN Amb23570566 [0,1,0,0,0,0|3,0,0]=4 592 B8R0.9 C=C(Br)CNC(=O)CS Amb27867130 [0,1,0,0,0,0|3,0,0]=4 593 B8R0.9 C=C(Br)COC(=O)CO Amb27837568 [0,1,0,0,0,0|2,0,1]=4 594 B8R0.9 C=C(C)CCC(=O)CN Amb27809573 [0,1,0,0,0,0|2,0,0]=3 595 B8R0.9 C=C(C)CCC(O)CO Amb28315440 [0,1,0,0,0,0|1,0,2]=4 596 B8R0.9 C=C(C)CNC(=O)CCl Amb25178055 [0,1,0,0,0,0|3,0,0]=4 597 B8R0.9 C=C(C)CNC(=O)CN Amb27215165 [0,1,0,0,0,0|3,0,0]=4 598 B8R0.9 C=C(C)CNC(=O)CO Amb27866006 [0,1,0,0,0,0|2,0,0]=3 599 B8R0.9 C=C(C)CNC(=O)CS Amb28040754 [0,1,0,0,0,0|2,1,0]=4 600 B8R0.9 C=C(C)CNC(=O)OC Amb27473324 [0,1,0,0,0,0|2,0,0]=3 601 B8R0.9 C=C(C)COC(=O)CC Amb25345772 [0,1,0,0,0,0|3,0,0]=4 602 B8R0.9 C=C(C)COC(=O)CO Amb28280952 [0,1,0,0,0,0|2,0,0]=3 603 B8R0.9 C=C(C)C\C=C(\C)CO Amb28049241 [0,1,0,0,0,0|2,0,1]=4 604 B8R0.9 C=C(C=O)CCC(=O)O Amb27655564 [0,1,0,0,0,0|0,0,1]=2 605 B8R0.9 C=C(CC)CNC(C)=O Amb27985317 [0,1,0,0,0,0|3,0,0]=4 606 B8R0.9 C=C(CC)CNC(N)=O Amb28342560 [0,1,0,0,0,0|3,0,0]=4 607 B8R0.9 C=C(CC)OCC(C)=O Amb27227543 [0,1,0,0,0,0|3,0,0]=4 608 B8R0.9 C=C(CO)CC=C(C)C Amb27665270 [0,1,0,0,0,0|2,0,1]=4 609 B8R0.9 C=C(CO)CCN(C)C Amb28049092 [0,1,0,0,0,0|3,0,0]=4 610 B8R0.9 C=C(CS)SCC(C)=O Amb27844241 [0,1,0,0,0,0|2,1,0]=4 611 B8R0.9 C=C(Cl)CNC(=O)CO Amb27857427 [0,1,0,0,0,0|2,0,1]=4 612 B8R0.9 C=C(F)COC(=O)CCl Amb27945573 [0,1,0,0,0,0|3,0,0]=4 613 B8R0.9 C=C(\C=C\C(=O)O)CC Amb27229488 [0,1,0,0,0,0|1,0,2]=4 614 B8R0.9 C=CC(=C)CCC(=O)O Amb18642412 [0,1,0,0,0,0|1,0,1]=3 615 B8R0.9 C=CC(=O)CC=C(C)C Amb27838740 [0,1,0,0,0,0|2,0,1]=4 616 B8R0.9 C=CC(=O)CCC(C)C Amb25341966 [0,1,0,0,0,0|2,0,1]=4 617 B8R0.9 C=CC(=O)CCN(C)C Amb27838465 [0,1,0,0,0,0|3,0,0]=4 618 B8R0.9 C=CC(=O)COC(C)=O Amb17607380 [0,1,0,0,0,0|2,0,0]=3 619 B8R0.9 C=CC(=O)NCC(=O)O Amb33532656 [0,1,0,0,0,0|1,0,1]=3 620 B8R0.9 C=CC(=O)OCC(=O)O Amb27241348 [0,1,0,0,0,0|1,0,1]=3 621 B8R0.9 C=CC(=O)OCC(N)=O Amb27468552 [0,1,0,0,0,0|2,0,1]=4 622 B8R0.9 C=CC(=O)SCC(=O)O Amb27755823 [0,1,0,0,0,0|1,0,1]=3 623 B8R0.9 C=CC(=O)\C=C\C(C)=O Amb24061722 [0,1,0,0,0,0|1,0,2]=4 624 B8R0.9 C=CC(C)CCC(C)=O Amb26390728 [0,1,0,0,0,0|2,0,1]=4 625 B8R0.9 C=CC(C)OCC(=O)O Amb18642764 [0,1,0,0,0,0|2,0,1]=4 626 B8R0.9 C=CC(N)CCC(=O)O Amb10843623 [0,1,0,0,0,0|1,0,2]=4 627 B8R0.9 C=CC(N)CCC(=O)O Amb22056347 [0,1,0,0,0,0|1,0,2]=4 628 B8R0.9 C=CC(O)CCC(=C)C Amb27163616 [0,1,0,0,0,0|2,0,1]=4 629 B8R0.9 C=CC(O)CCC(=O)O Amb25785193 [0,1,0,0,0,0|0,0,3]=4 630 B8R0.9 C=CC([NH3+])CCC(=O)O Amb10845648 [0,1,0,0,0,0|1,0,2]=4 631 B8R0.9 C=C[C@@H](O)CCC(=C)C Amb27589736 [0,1,0,0,0,0|2,0,1]=4 632 B8R0.9 C=C[C@H](N)CCC(=O)O Amb25694354 [0,1,0,0,0,0|1,0,2]=4 633 B8R0.9 C=C[C@H](O)CCC(=O)O Amb27168215 [0,1,0,0,0,0|0,0,3]=4 634 B8R0.9 C=C\C(C)=C\CC(=O)O Amb33276241 [0,1,0,0,0,0|1,0,1]=3 635 B8R0.9 CC(=N)SCC(=O)CCl Amb24113053 [0,1,0,0,0,0|3,0,0]=4 636 B8R0.9 CC(=O)CCC(=O)NN Amb25793418 [0,1,0,0,0,0|1,0,0]=2 637 B8R0.9 CC(=O)CCC(=O)NO Amb26971070 [0,1,0,0,0,0|0,0,0]=1 638 B8R0.9 CC(=O)CCC(C)C=O Amb18642612 [0,1,0,0,0,0|1,0,1]=3 639 B8R0.9 CC(=O)CCC(C)CO Amb27838673 [0,1,0,0,0,0|1,0,1]=3 640 B8R0.9 CC(=O)CCC(Cl)CCl Amb27259129 [0,1,0,0,0,0|2,0,1]=4 641 B8R0.9 CC(=O)CCC(F)CCl Amb28060125 [0,1,0,0,0,0|2,0,1]=4 642 B8R0.9 CC(=O)CCC(F)CO Amb25200909 [0,1,0,0,0,0|1,0,1]=3 643 B8R0.9 CC(=O)CCC(O)CF Amb28322193 [0,1,0,0,0,0|1,0,1]=3 644 B8R0.9 CC(=O)CCN(C)C=O Amb27802453 [0,1,0,0,0,0|2,0,0]=3 645 B8R0.9 CC(=O)CCN(C)N=O Amb28364300 [0,1,0,0,0,0|2,0,0]=3 646 B8R0.9 CC(=O)CNC(=O)CCl Amb27880921 [0,1,0,0,0,0|2,0,0]=3 647 B8R0.9 CC(=O)CNC(=O)CN Amb25837037 [0,1,0,0,0,0|2,0,0]=3 648 B8R0.9 CC(=O)CNC(C)CO Amb27614242 [0,1,0,0,0,0|2,0,1]=4 649 B8R0.9 CC(=O)COC(=O)CN Amb27168864 [0,1,0,0,0,0|2,0,0]=3 650 B8R0.9 CC(=O)NCC(=O)CN Amb35789045 [0,1,0,0,0,0|2,0,0]=3 651 B8R0.9 CC(=O)NCC(=O)CN Amb35789904 [0,1,0,0,0,0|2,0,0]=3 652 B8R0.9 CC(=O)NCC(=O)CO Amb27494067 [0,1,0,0,0,0|1,0,0]=2 653 B8R0.9 CC(=O)NCC(=O)NN Amb24524168 [0,1,0,0,0,0|2,0,0]=3 654 B8R0.9 CC(=O)NCC(=O)NO Amb25340085 [0,1,0,0,0,0|1,0,0]=2 655 B8R0.9 CC(=O)NCC(C)C=O Amb27485699 [0,1,0,0,0,0|2,0,1]=4 656 B8R0.9 CC(=O)NCC(C)ON Amb17138377 [0,1,0,0,0,0|2,0,1]=4 657 B8R0.9 CC(=O)NCC(N)NO Amb27413098 [0,1,0,0,0,0|2,0,1]=4 658 B8R0.9 CC(=O)NCN(C)N=O Amb27154794 [0,1,0,0,0,0|3,0,0]=4 659 B8R0.9 CC(=O)NC[C@@H](O)CO Amb27156658 [0,1,0,0,0,0|1,0,2]=4 660 B8R0.9 CC(=O)NC[C@H](O)CCl Amb25760218 [0,1,0,0,0,0|2,0,1]=4 661 B8R0.9 CC(=O)NC\C(N)=N/O Amb19650814 [0,1,0,0,0,0|2,0,0]=3 662 B8R0.9 CC(=O)NC\C(N)=N\O Amb21912454 [0,1,0,0,0,0|2,0,0]=3 663 B8R0.9 CC(=O)NNC(=O)CBr Amb19957358 [0,1,0,0,0,0|3,0,0]=4 664 B8R0.9 CC(=O)NNC(=O)CCl Amb1154170 [0,1,0,0,0,0|3,0,0]=4 665 B8R0.9 CC(=O)NNC(=O)CN Amb17334122 [0,1,0,0,0,0|3,0,0]=4 666 B8R0.9 CC(=O)N\C=C(\C)C=O Amb18642508 [0,1,0,0,0,0|2,0,1]=4 667 B8R0.9 CC(=O)OCC(=O)CCl Amb19944668 [0,1,0,0,0,0|2,0,0]=3 668 B8R0.9 CC(=O)OCC(=O)CF Amb25744125 [0,1,0,0,0,0|2,0,0]=3 669 B8R0.9 CC(=O)OCC(=O)CO Amb28253910 [0,1,0,0,0,0|1,0,0]=2 670 B8R0.9 CC(=O)OCC(=O)NN Amb27480937 [0,1,0,0,0,0|2,0,0]=3 671 B8R0.9 CC(=O)OCC(F)CO Amb27443281 [0,1,0,0,0,0|2,0,1]=4 672 B8R0.9 CC(=O)OCC(N)CO Amb33140919 [0,1,0,0,0,0|2,0,1]=4 673 B8R0.9 CC(=O)OCC(O)CCl Amb17593815 [0,1,0,0,0,0|2,0,1]=4 674 B8R0.9 CC(=O)OCC(O)CO Amb22043222 [0,1,0,0,0,0|1,0,2]=4 675 B8R0.9 CC(=O)OCN(C)C=O Amb28285201 [0,1,0,0,0,0|3,0,0]=4 676 B8R0.9 CC(=O)OC[C@@H](O)CCl Amb27469927 [0,1,0,0,0,0|2,0,1]=4 677 B8R0.9 CC(=O)OC[C@H](C)C=O Amb27230590 [0,1,0,0,0,0|2,0,1]=4 678 B8R0.9 CC(=O)OC\C(C)=C/Cl Amb27793522 [0,1,0,0,0,0|3,0,0]=4 679 B8R0.9 CC(=O)OC\C(C)=C\Br Amb27803059 [0,1,0,0,0,0|3,0,0]=4 680 B8R0.9 CC(=O)OC\C(Cl)=C/Cl Amb27768652 [0,1,0,0,0,0|3,0,0]=4 681 B8R0.9 CC(=O)O\C=C(\C)C=O Amb27966540 [0,1,0,0,0,0|2,0,1]=4 682 B8R0.9 CC(=O)SCC(C)C=O Amb27827463 [0,1,0,0,0,0|2,0,1]=4 683 B8R0.9 CC(=O)SC[C@H](O)CO Amb27261704 [0,1,0,0,0,0|1,0,2]=4 684 B8R0.9 CC(=O)\C=C\C(O)C=O Amb27798118 [0,1,0,0,0,0|0,0,3]=4 685 B8R0.9 CC(C#N)NCC(=O)O Amb18293465 [0,1,0,0,0,0|2,0,1]=4 686 B8R0.9 CC(C)CCC(=O)CCl Amb20668816 [0,1,0,0,0,0|2,0,1]=4 687 B8R0.9 CC(C)CCC(=O)CN Amb27599814 [0,1,0,0,0,0|2,0,1]=4 688 B8R0.9 CC(C)CCC(=O)CO Amb25053147 [0,1,0,0,0,0|1,0,1]=3 689 B8R0.9 CC(C)CCC(=O)NN Amb6744504 [0,1,0,0,0,0|2,0,1]=4 690 B8R0.9 CC(C)CCC(=O)NO Amb6744847 [0,1,0,0,0,0|1,0,1]=3 691 B8R0.9 CC(C)CC\C(Cl)=N\O Amb28366200 [0,1,0,0,0,0|2,0,1]=4 692 B8R0.9 CC(C)CC\C(N)=N\O Amb10205331 [0,1,0,0,0,0|2,0,1]=4 693 B8R0.9 CC(C)CNC(=O)CO Amb9421416 [0,1,0,0,0,0|2,0,1]=4 694 B8R0.9 CC(C)COC(=O)CO Amb27218940 [0,1,0,0,0,0|2,0,1]=4 695 B8R0.9 CC(C=O)CC[N+](=O)[O-] Amb27985090 [0,1,0,0,0,0|1,0,2]=4 696 B8R0.9 CC(CCC(=O)O)NO Amb27945567 [0,1,0,0,0,0|0,0,2]=3 697 B8R0.9 CC(CCl)CCC(=O)Cl Amb25921088 [0,1,0,0,0,0|2,0,1]=4 698 B8R0.9 CC(CCl)CCC(=O)O Amb27838484 [0,1,0,0,0,0|1,0,1]=3 699 B8R0.9 CC(CN)CCC(=O)O Amb22059189 [0,1,0,0,0,0|1,0,1]=3 700 B8R0.9 CC(CN)CCC(=O)O Amb28935016 [0,1,0,0,0,0|1,0,1]=3 701 B8R0.9 CC(CN)OCC(=O)O Amb18629591 [0,1,0,0,0,0|2,0,1]=4 702 B8R0.9 CC(CN)SCC(=O)O Amb28142553 [0,1,0,0,0,0|2,0,1]=4 703 B8R0.9 CC(CO)CCS(C)=O Amb27815628 [0,1,0,0,0,0|2,0,1]=4 704 B8R0.9 CC(N)CCC(=O)NN Amb27945385 [0,1,0,0,0,0|2,0,1]=4 705 B8R0.9 CC(N)CCC(=O)NO Amb27606094 [0,1,0,0,0,0|1,0,1]=3 706 B8R0.9 CC(N)CC\C(N)=N\O Amb30008328 [0,1,0,0,0,0|2,0,1]=4 707 B8R0.9 CC(O)CCC(=O)NN Amb19748590 [0,1,0,0,0,0|1,0,2]=4 708 B8R0.9 CC(O)CCN(C)C=O Amb27485177 [0,1,0,0,0,0|2,0,1]=4 709 B8R0.9 CC(O)CC\C(N)=N\O Amb29852670 [0,1,0,0,0,0|1,0,2]=4 710 B8R0.9 CC(O)CNC(=O)CCl Amb17324265 [0,1,0,0,0,0|2,0,1]=4 711 B8R0.9 CC(O)COC(=O)CBr Amb25253067 [0,1,0,0,0,0|2,0,1]=4 712 B8R0.9 CC(\C=C\C(=O)O)=C/Br Amb27650571 [0,1,0,0,0,0|1,0,2]=4 713 B8R0.9 CCC(=N)NCC(N)=O Amb28049684 [0,1,0,0,0,0|3,0,0]=4 714 B8R0.9 CCC(=N)SCC(=O)O Amb27412807 [0,1,0,0,0,0|2,0,0]=3 715 B8R0.9 CCC(=O)CCC(=O)O Amb2099579 [0,1,0,0,0,0|0,0,0]=1 716 B8R0.9 CCC(=O)CCC(C)=O Amb17593347 [0,1,0,0,0,0|1,0,0]=2 717 B8R0.9 CCC(=O)CCC(C)C Amb9031667 [0,1,0,0,0,0|2,0,1]=4 718 B8R0.9 CCC(=O)CCC(C)N Amb27866596 [0,1,0,0,0,0|2,0,1]=4 719 B8R0.9 CCC(=O)COC(C)=O Amb3940673 [0,1,0,0,0,0|2,0,0]=3 720 B8R0.9 CCC(=O)CSC(C)=O Amb27180933 [0,1,0,0,0,0|2,0,0]=3 721 B8R0.9 CCC(=O)C\C=C(/C)Cl Amb27838754 [0,1,0,0,0,0|2,0,1]=4 722 B8R0.9 CCC(=O)NCB(O)O Amb8392098 [0,1,0,0,0,0|2,0,1]=4 723 B8R0.9 CCC(=O)NCC(=O)O Amb1120037 [0,1,0,0,0,0|1,0,0]=2 724 B8R0.9 CCC(=O)NCC(C)O Amb9275499 [0,1,0,0,0,0|2,0,1]=4 725 B8R0.9 CCC(=O)NCC(N)=O Amb17231864 [0,1,0,0,0,0|2,0,0]=3 726 B8R0.9 CCC(=O)NCC(N)=S Amb17232011 [0,1,0,0,0,0|2,1,0]=4 727 B8R0.9 CCC(=O)NNC(N)=O Amb27769108 [0,1,0,0,0,0|3,0,0]=4 728 B8R0.9 CCC(=O)OCC(C)=O Amb27662511 [0,1,0,0,0,0|2,0,0]=3 729 B8R0.9 CCC(=O)OCC(C)O Amb28184966 [0,1,0,0,0,0|2,0,1]=4 730 B8R0.9 CCC(=O)OCC(N)=O Amb26505774 [0,1,0,0,0,0|2,0,0]=3 731 B8R0.9 CCC(=O)OC[C@@H](C)O Amb28049124 [0,1,0,0,0,0|2,0,1]=4 732 B8R0.9 CCC(=O)\C=C/C(=O)O Amb27838748 [0,1,0,0,0,0|0,0,2]=3 733 B8R0.9 CCC(=O)\C=C\C(=O)O Amb18642585 [0,1,0,0,0,0|0,0,2]=3 734 B8R0.9 CCC(Br)CCC(=O)O Amb28367201 [0,1,0,0,0,0|1,0,1]=3 735 B8R0.9 CCC(C)CCC(=O)O Amb22352932 [0,1,0,0,0,0|1,0,1]=3 736 B8R0.9 CCC(C)CCC(C)=O Amb22229980 [0,1,0,0,0,0|2,0,1]=4 737 B8R0.9 CCC(C)NCC(=O)O Amb7766416 [0,1,0,0,0,0|2,0,1]=4 738 B8R0.9 CCC(C)NCC(=O)O Amb9184562 [0,1,0,0,0,0|2,0,1]=4 739 B8R0.9 CCC(C)OCC(=O)O Amb18307944 [0,1,0,0,0,0|2,0,1]=4 740 B8R0.9 CCC(C)SCC(=O)O Amb6680193 [0,1,0,0,0,0|2,0,1]=4 741 B8R0.9 CCC(Cl)CCC(=O)Cl Amb24524189 [0,1,0,0,0,0|2,0,1]=4 742 B8R0.9 CCC(Cl)CCC(=O)O Amb27955847 [0,1,0,0,0,0|1,0,1]=3 743 B8R0.9 CCC(N)CCC(=O)O Amb21961489 [0,1,0,0,0,0|1,0,1]=3 744 B8R0.9 CCC(N)CCC(=O)O Amb5717972 [0,1,0,0,0,0|1,0,1]=3 745 B8R0.9 CCC(N)CCC(N)=O Amb27194979 [0,1,0,0,0,0|2,0,1]=4 746 B8R0.9 CCC(O)CCC(=O)O Amb27149373 [0,1,0,0,0,0|0,0,2]=3 747 B8R0.9 CCC(O)CCC(N)=O Amb27234638 [0,1,0,0,0,0|1,0,2]=4 748 B8R0.9 CCC(S)CCC(=O)O Amb27954753 [0,1,0,0,0,0|0,1,1]=3 749 B8R0.9 CCN(C)CCC(=O)O Amb8428205 [0,1,0,0,0,0|2,0,0]=3 750 B8R0.9 CCN(C)CCC(=O)O Amb8890954 [0,1,0,0,0,0|2,0,0]=3 751 B8R0.9 CCS(=O)CCC(=O)O Amb9173461 [0,1,0,0,0,0|1,0,0]=2 752 B8R0.9 CCS(=O)NCC(=O)O Amb28322707 [0,1,0,0,0,0|2,0,0]=3 753 B8R0.9 CCS(=O)NCC(N)=O Amb27433455 [0,1,0,0,0,0|3,0,0]=4 754 B8R0.9 CCS(=O)\C=C\C(=O)O Amb28347741 [0,1,0,0,0,0|1,0,2]=4 755 B8R0.9 CC[C@@H](C)CCC(=O)O Amb25887394 [0,1,0,0,0,0|1,0,1]=3 756 B8R0.9 CC[C@@H](O)CCC(N)=O Amb27254154 [0,1,0,0,0,0|1,0,2]=4 757 B8R0.9 CC[C@H](C)CCC(C)=O Amb27447760 [0,1,0,0,0,0|2,0,1]=4 758 B8R0.9 CC[C@H](C)CCC(N)=O Amb28346481 [0,1,0,0,0,0|2,0,1]=4 759 B8R0.9 CC[C@H](O)CCC(=O)O Amb27170465 [0,1,0,0,0,0|0,0,2]=3 760 B8R0.9 CC[C@H](O)CNC(C)=O Amb27762160 [0,1,0,0,0,0|2,0,1]=4 761 B8R0.9 CC\C(C)=C\CC(=O)O Amb22011800 [0,1,0,0,0,0|1,0,1]=3 762 B8R0.9 CN(C#N)CCC(=O)O Amb35634504 [0,1,0,0,0,0|2,0,0]=3 763 B8R0.9 CN(C#N)CCC(N)=O Amb27190230 [0,1,0,0,0,0|3,0,0]=4 764 B8R0.9 CN(C)CCC(=O)CCl Amb33057681 [0,1,0,0,0,0|3,0,0]=4 765 B8R0.9 CN(C)CCC(=O)CN Amb18203194 [0,1,0,0,0,0|3,0,0]=4 766 B8R0.9 CN(C)CCC(=O)NN Amb396230 [0,1,0,0,0,0|3,0,0]=4 767 B8R0.9 CN(C)CCC(=O)NO Amb27762089 [0,1,0,0,0,0|2,0,0]=3 768 B8R0.9 CN(C)CC\C(N)=N/O Amb2695942 [0,1,0,0,0,0|3,0,0]=4 769 B8R0.9 CN(C)CC\C(N)=N\O Amb1118599 [0,1,0,0,0,0|3,0,0]=4 770 B8R0.9 CN(C=O)CCC(N)=S Amb27771196 [0,1,0,0,0,0|2,1,0]=4 771 B8R0.9 CN(CCC(=O)O)N=O Amb17618592 [0,1,0,0,0,0|1,0,0]=2 772 B8R0.9 CN(CCC(N)=O)N=O Amb27487572 [0,1,0,0,0,0|2,0,0]=3 773 B8R0.9 CNC(=N)NCC(N)=O Amb27865962 [0,1,0,0,0,0|3,0,0]=4 774 B8R0.9 CNC(=N)SCC(C)=O Amb27461473 [0,1,0,0,0,0|3,0,0]=4 775 B8R0.9 CNC(=O)CCC(=O)O Amb2720937 [0,1,0,0,0,0|0,0,0]=1 776 B8R0.9 CNC(=O)CCC(C)=O Amb17334107 [0,1,0,0,0,0|1,0,0]=2 777 B8R0.9 CNC(=O)CCC(C)C Amb27165938 [0,1,0,0,0,0|2,0,1]=4 778 B8R0.9 CNC(=O)CCC(C)N Amb33109814 [0,1,0,0,0,0|2,0,1]=4 779 B8R0.9 CNC(=O)CCC(C)O Amb17334125 [0,1,0,0,0,0|1,0,1]=3 780 B8R0.9 CNC(=O)CCC(Cl)Cl Amb32671998 [0,1,0,0,0,0|2,0,1]=4 781 B8R0.9 CNC(=O)CCC(F)F Amb27837707 [0,1,0,0,0,0|2,0,1]=4 782 B8R0.9 CNC(=O)CCC(N)=O Amb17334114 [0,1,0,0,0,0|1,0,0]=2 783 B8R0.9 CNC(=O)CCN(C)C Amb24735586 [0,1,0,0,0,0|3,0,0]=4 784 B8R0.9 CNC(=O)CC[C@H](C)O Amb27799232 [0,1,0,0,0,0|1,0,1]=3 785 B8R0.9 CNC(=O)CNC(C)=N Amb28043406 [0,1,0,0,0,0|3,0,0]=4 786 B8R0.9 CNC(=O)CNC(C)=O Amb4034777 [0,1,0,0,0,0|2,0,0]=3 787 B8R0.9 CNC(=O)COC(C)=O Amb26872495 [0,1,0,0,0,0|2,0,0]=3 788 B8R0.9 CNC(=O)NCC(=O)O Amb1130948 [0,1,0,0,0,0|1,0,0]=2 789 B8R0.9 CNC(=O)NCC(C)O Amb28326263 [0,1,0,0,0,0|2,0,1]=4 790 B8R0.9 CNC(=O)NCC(N)=S Amb27657337 [0,1,0,0,0,0|2,1,0]=4 791 B8R0.9 CNC(=O)NNC(C)=O Amb26580329 [0,1,0,0,0,0|3,0,0]=4 792 B8R0.9 CNC(=O)NNC(N)=O Amb27784787 [0,1,0,0,0,0|3,0,0]=4 793 B8R0.9 CNC(=O)OCC(=O)O Amb30018932 [0,1,0,0,0,0|1,0,0]=2 794 B8R0.9 CNC(=O)ONC(C)=O Amb27786025 [0,1,0,0,0,0|3,0,0]=4 795 B8R0.9 CNC(=O)\C=C/C(=O)O Amb2720469 [0,1,0,0,0,0|0,0,2]=3 796 B8R0.9 CNC(=O)\C=C\C(=O)O Amb9277097 [0,1,0,0,0,0|0,0,2]=3 797 B8R0.9 CNC(=S)NCC(=O)O Amb4044376 [0,1,0,0,0,0|1,1,0]=3 798 B8R0.9 COC(=O)C=C=C(C)C Amb32423562 [0,1,0,0,0,0|1,0,2]=4 799 B8R0.9 COC(=O)CCB(O)O Amb25705142 [0,1,0,0,0,0|1,0,1]=3 800 B8R0.9 COC(=O)CCC(=O)Cl Amb3939311 [0,1,0,0,0,0|1,0,0]=2 801 B8R0.9 COC(=O)CCC(=O)O Amb6538024 [0,1,0,0,0,0|0,0,0]=1 802 B8R0.9 COC(=O)CCC(C)=O Amb13777321 [0,1,0,0,0,0|0,0,0]=1 803 B8R0.9 COC(=O)CCC(C)Br Amb24340280 [0,1,0,0,0,0|1,0,1]=3 804 B8R0.9 COC(=O)CCC(C)C Amb9241809 [0,1,0,0,0,0|1,0,1]=3 805 B8R0.9 COC(=O)CCC(C)Cl Amb24644384 [0,1,0,0,0,0|1,0,1]=3 806 B8R0.9 COC(=O)CCC(C)I Amb27445524 [0,1,0,0,0,0|1,0,1]=3 807 B8R0.9 COC(=O)CCC(C)N Amb18642842 [0,1,0,0,0,0|1,0,1]=3 808 B8R0.9 COC(=O)CCC(C)N Amb35750839 [0,1,0,0,0,0|1,0,1]=3 809 B8R0.9 COC(=O)CCC(C)O Amb26459430 [0,1,0,0,0,0|0,0,2]=3 810 B8R0.9 COC(=O)CCC(C)S Amb28066829 [0,1,0,0,0,0|0,1,1]=3 811 B8R0.9 COC(=O)CCC(C)[O-] Amb30988005 [0,1,0,0,0,0|0,0,2]=3 812 B8R0.9 COC(=O)CCC(F)F Amb27770565 [0,1,0,0,0,0|2,0,1]=4 813 B8R0.9 COC(=O)CCC(N)=O Amb24323351 [0,1,0,0,0,0|1,0,0]=2 814 B8R0.9 COC(=O)CCC(N)=S Amb18108081 [0,1,0,0,0,0|1,1,0]=3 815 B8R0.9 COC(=O)CCN(C)C Amb7757843 [0,1,0,0,0,0|2,0,0]=3 816 B8R0.9 COC(=O)CCS(=O)Cl Amb25944850 [0,1,0,0,0,0|2,0,0]=3 817 B8R0.9 COC(=O)CCS(=O)O Amb25967240 [0,1,0,0,0,0|1,0,0]=2 818 B8R0.9 COC(=O)CCS(=O)[O-] Amb21520328 [0,1,0,0,0,0|1,0,1]=3 819 B8R0.9 COC(=O)CCS(N)=O Amb32720304 [0,1,0,0,0,0|2,0,0]=3 820 B8R0.9 COC(=O)CC[C@@H](C)N Amb24117060 [0,1,0,0,0,0|1,0,1]=3 821 B8R0.9 COC(=O)CC[C@H](C)N Amb27950697 [0,1,0,0,0,0|1,0,1]=3 822 B8R0.9 COC(=O)CC[N+](=O)[O-] Amb26494342 [0,1,0,0,0,0|1,0,1]=3 823 B8R0.9 COC(=O)CNC(=N)N Amb27259956 [0,1,0,0,0,0|3,0,0]=4 824 B8R0.9 COC(=O)CNC(C)=O Amb3886556 [0,1,0,0,0,0|1,0,0]=2 825 B8R0.9 COC(=O)CNC(C)C Amb6687063 [0,1,0,0,0,0|2,0,1]=4 826 B8R0.9 COC(=O)CNC(N)=O Amb1126846 [0,1,0,0,0,0|2,0,0]=3 827 B8R0.9 COC(=O)CNC(N)=S Amb9212124 [0,1,0,0,0,0|2,1,0]=4 828 B8R0.9 COC(=O)COC(C)=O Amb28049254 [0,1,0,0,0,0|1,0,0]=2 829 B8R0.9 COC(=O)COC(C)C Amb9206385 [0,1,0,0,0,0|2,0,1]=4 830 B8R0.9 COC(=O)CSC(=N)N Amb20676059 [0,1,0,0,0,0|3,0,0]=4 831 B8R0.9 COC(=O)CSC(C)C Amb28049081 [0,1,0,0,0,0|2,0,1]=4 832 B8R0.9 COC(=O)NCC(=O)Cl Amb28388481 [0,1,0,0,0,0|2,0,0]=3 833 B8R0.9 COC(=O)NCC(=O)O Amb3941451 [0,1,0,0,0,0|1,0,0]=2 834 B8R0.9 COC(=O)NCC(C)=O Amb28461105 [0,1,0,0,0,0|1,0,0]=2 835 B8R0.9 COC(=O)NCC(C)Cl Amb27401852 [0,1,0,0,0,0|2,0,1]=4 836 B8R0.9 COC(=O)NCC(C)O Amb9285615 [0,1,0,0,0,0|1,0,2]=4 837 B8R0.9 COC(=O)NCC(N)=O Amb27640170 [0,1,0,0,0,0|2,0,0]=3 838 B8R0.9 COC(=O)NC[C@@H](C)O Amb28204216 [0,1,0,0,0,0|1,0,2]=4 839 B8R0.9 COC(=O)NNC(N)=O Amb27643836 [0,1,0,0,0,0|3,0,0]=4 840 B8R0.9 COC(=O)OCC(=O)Cl Amb8393900 [0,1,0,0,0,0|2,0,0]=3 841 B8R0.9 COC(=O)OCC(=O)O Amb8393899 [0,1,0,0,0,0|1,0,0]=2 842 B8R0.9 COC(=O)SCC(C)Cl Amb28386344 [0,1,0,0,0,0|2,0,1]=4 843 B8R0.9 COC(=O)\C=C/C(=O)O Amb6295872 [0,1,0,0,0,0|0,0,2]=3 844 B8R0.9 COC(=O)\C=C\C(=O)Cl Amb32664984 [0,1,0,0,0,0|1,0,2]=4 845 B8R0.9 COC(=O)\C=C\C(=O)O Amb33511119 [0,1,0,0,0,0|0,0,2]=3 846 B8R0.9 COC(=O)\C=C\C(C)=O Amb22336182 [0,1,0,0,0,0|0,0,2]=3 847 B8R0.9 COC(=O)\C=C\S(C)=O Amb28049230 [0,1,0,0,0,0|1,0,2]=4 848 B8R0.9 COC(=S)SCC(=O)O Amb26653180 [0,1,0,0,0,0|1,1,0]=3 849 B8R0.9 COC(=S)SCC(N)=O Amb28325528 [0,1,0,0,0,0|2,1,0]=4 850 B8R0.9 COC(C)CCC(=O)O Amb24271104 [0,1,0,0,0,0|0,0,2]=3 851 B8R0.9 COC(C)CCC(C)=O Amb25880180 [0,1,0,0,0,0|1,0,1]=3 852 B8R0.9 COC(C)COC(C)=O Amb22734341 [0,1,0,0,0,0|2,0,1]=4 853 B8R0.9 COC(C)OCC(C)=O Amb24378350 [0,1,0,0,0,0|2,0,1]=4 854 B8R0.9 CON(C)CCC(=O)O Amb27881744 [0,1,0,0,0,0|1,0,1]=3 855 B8R0.9 CO[C@@H](C)CCC(=O)O Amb28241276 [0,1,0,0,0,0|0,0,2]=3 856 B8R0.9 CO[C@@H](C)CNC(C)=O Amb35605355 [0,1,0,0,0,0|2,0,1]=4 857 B8R0.9 CO[C@H](C)CNC(C)=O Amb30024558 [0,1,0,0,0,0|2,0,1]=4 858 B8R0.9 CO\C(C)=C\CC(=O)O Amb27963206 [0,1,0,0,0,0|0,0,2]=3 859 B8R0.9 CO\P(=O)=C\CC(=O)O Amb27199324 [0,1,0,0,0,0|1,0,1]=3 860 B8R0.9 CS(=O)CCC(N)CO Amb27867840 [0,1,0,0,0,0|2,0,1]=4 861 B8R0.9 CS(=O)CCC(O)CN Amb27403927 [0,1,0,0,0,0|2,0,1]=4 862 B8R0.9 CS(=O)CC\C(N)=N\O Amb27852254 [0,1,0,0,0,0|2,0,0]=3 863 B8R0.9 CSC(=O)CCC(C)C Amb25743840 [0,1,0,0,0,0|1,1,1]=4 864 B8R0.9 CSC(=O)CCC(C)O Amb28065144 [0,1,0,0,0,0|1,0,1]=3 865 B8R0.9 CSC(=O)\C=C/C(C)=O Amb27256793 [0,1,0,0,0,0|0,1,2]=4 866 B8R0.9 CSC(C)CCC(=O)O Amb22059071 [0,1,0,0,0,0|0,1,1]=3 867 B8R0.9 CSC(C)CCC(N)=O Amb27247670 [0,1,0,0,0,0|1,1,1]=4 868 B8R0.9 C[C@@H](O)CNC(=O)CBr Amb28049185 [0,1,0,0,0,0|2,0,1]=4 869 B8R0.9 C[C@@H](O)CNC(=O)CN Amb27495538 [0,1,0,0,0,0|2,0,1]=4 870 B8R0.9 C[C@H](O)CNC(=O)CCl Amb28049186 [0,1,0,0,0,0|2,0,1]=4 871 B8R0.9 C[C@H](O)CNC(=O)CN Amb27399091 [0,1,0,0,0,0|2,0,1]=4 872 B8R0.9 C[C@H](O)CNC(=O)CO Amb27829811 [0,1,0,0,0,0|1,0,2]=4 873 B8R0.9 C\C(C#N)=C\CC(=O)O Amb27196398 [0,1,0,0,0,0|1,0,1]=3 874 B8R0.9 C\C(C=O)=N/NC(N)=O Amb27769079 [0,1,0,0,0,0|3,0,0]=4 875 B8R0.9 C\C(CCC(=O)O)=N/O Amb25138471 [0,1,0,0,0,0|0,0,1]=2 876 B8R0.9 C\C(CCC(C)C)=N/O Amb25235824 [0,1,0,0,0,0|2,0,1]=4 877 B8R0.9 C\C(CCC(C)C)=N\O Amb24547350 [0,1,0,0,0,0|2,0,1]=4 878 B8R0.9 C\C(CCN(C)C)=N/O Amb27813221 [0,1,0,0,0,0|3,0,0]=4 879 B8R0.9 C\C=C(C)/C=C/C(=O)O Amb27838460 [0,1,0,0,0,0|1,0,2]=4 880 B8R0.9 C\C=C(C)\C=C\C(=O)O Amb18642399 [0,1,0,0,0,0|1,0,2]=4 881 B8R0.9 C\C=C(Cl)\C=C\C(=O)O Amb28137785 [0,1,0,0,0,0|1,0,2]=4 882 B8R0.9 C\C=C(F)\C=C\C(=O)O Amb27826588 [0,1,0,0,0,0|1,0,2]=4 883 B8R0.9 C\C=C(\C)CCC(C)=O Amb24610198 [0,1,0,0,0,0|2,0,0]=3 884 B8R0.9 C\C=C(\C)OCC(C)=O Amb27844138 [0,1,0,0,0,0|3,0,0]=4 885 B8R0.9 N#CC(N)CCC(=O)O Amb27596135 [0,1,0,0,0,0|1,0,2]=4 886 B8R0.9 N#CC(N)CCC(=O)O Amb30666632 [0,1,0,0,0,0|1,0,2]=4 887 B8R0.9 N=C(CCl)NCC(=O)O Amb28282661 [0,1,0,0,0,0|2,0,0]=3 888 B8R0.9 N=C(CCl)NCC(N)=O Amb27483156 [0,1,0,0,0,0|3,0,0]=4 889 B8R0.9 NC(=O)CCC(O)CO Amb28073389 [0,1,0,0,0,0|1,0,2]=4 890 B8R0.9 NC(=O)CC[C@H](N)CF Amb27431484 [0,1,0,0,0,0|2,0,1]=4 891 B8R0.9 NC(=O)CC[C@H](N)CO Amb24368577 [0,1,0,0,0,0|2,0,1]=4 892 B8R0.9 NC(=O)CNC(=O)C=O Amb27236949 [0,1,0,0,0,0|2,0,1]=4 893 B8R0.9 NC(=O)NC\C(N)=N\O Amb27487653 [0,1,0,0,0,0|3,0,0]=4 894 B8R0.9 NC(=O)NNC(=O)CO Amb25328968 [0,1,0,0,0,0|3,0,0]=4 895 B8R0.9 NC(=O)NNC(=O)CS Amb27204540 [0,1,0,0,0,0|3,0,0]=4 896 B8R0.9 NC(CCl)CCC(=O)O Amb27440510 [0,1,0,0,0,0|1,0,1]=3 897 B8R0.9 NC(CF)CCC(=O)Cl Amb27876552 [0,1,0,0,0,0|2,0,1]=4 898 B8R0.9 NC(CF)CCC(=O)O Amb19148378 [0,1,0,0,0,0|1,0,1]=3 899 B8R0.9 NC(CF)CCC(=O)O Amb33473114 [0,1,0,0,0,0|1,0,1]=3 900 B8R0.9 NC(CO)CCC(=O)O Amb18642916 [0,1,0,0,0,0|1,0,1]=3 901 B8R0.9 NC(CO)CCC(=O)O Amb32665461 [0,1,0,0,0,0|1,0,1]=3 902 B8R0.9 NC(CS)CCC(=O)O Amb27458291 [0,1,0,0,0,0|1,0,1]=3 903 B8R0.9 NCC(=O)CCC(=O)O Amb2720232 [0,1,0,0,0,0|0,0,0]=1 904 B8R0.9 NCC(=O)CCC(=O)O Amb5395775 [0,1,0,0,0,0|0,0,0]=1 905 B8R0.9 NCC(=O)NCC(=O)O Amb1151360 [0,1,0,0,0,0|1,0,0]=2 906 B8R0.9 NCC(=O)NCC(=O)O Amb8382637 [0,1,0,0,0,0|1,0,0]=2 907 B8R0.9 NCC(=O)NNC(N)=O Amb28340955 [0,1,0,0,0,0|3,0,0]=4 908 B8R0.9 NCC(=O)OCC(N)=O Amb27829178 [0,1,0,0,0,0|2,0,0]=3 909 B8R0.9 NCC(N)CCC(=O)O Amb19328773 [0,1,0,0,0,0|1,0,1]=3 910 B8R0.9 NCC(N)CCC(=O)O Amb27837536 [0,1,0,0,0,0|1,0,1]=3 911 B8R0.9 NCC(O)CCC(=O)O Amb29838305 [0,1,0,0,0,0|0,0,2]=3 912 B8R0.9 NCC(O)CCC(=O)[O-] Amb33330648 [0,1,0,0,0,0|0,0,3]=4 913 B8R0.9 NC[C@@H](O)CCC(=O)O Amb27477096 [0,1,0,0,0,0|0,0,2]=3 914 B8R0.9 NC[C@H](N)CCC(=O)O Amb28068164 [0,1,0,0,0,0|1,0,1]=3 915 B8R0.9 NNC(=O)CCC(N)=O Amb595603 [0,1,0,0,0,0|2,0,0]=3 916 B8R0.9 NNC(=O)CNC(N)=O Amb24477825 [0,1,0,0,0,0|3,0,0]=4 917 B8R0.9 NNC(=O)NCC(=O)O Amb27623574 [0,1,0,0,0,0|2,0,0]=3 918 B8R0.9 NNC(=O)NCC(N)=O Amb8854040 [0,1,0,0,0,0|3,0,0]=4 919 B8R0.9 N[C@@H](CS)CCC(=O)O Amb28341808 [0,1,0,0,0,0|1,0,1]=3 920 B8R0.9 N[C@H](CF)CCC(=O)O Amb32729481 [0,1,0,0,0,0|1,0,1]=3 921 B8R0.9 N[C@H](CO)CCC(=O)O Amb24685421 [0,1,0,0,0,0|1,0,1]=3 922 B8R0.9 N[C@H](CO)CCC(=O)O Amb32664911 [0,1,0,0,0,0|1,0,1]=3 923 B8R0.9 O=C(O)CCC(=O)CCl Amb25736440 [0,1,0,0,0,0|0,0,0]=1 924 B8R0.9 O=C(O)CCC(O)CCl Amb27799910 [0,1,0,0,0,0|0,0,2]=3 925 B8R0.9 O=C(O)CCC(S)CS Amb27407074 [0,1,0,0,0,0|0,1,1]=3 926 B8R0.9 O=C(O)CC\C(O)=N\O Amb24745795 [0,1,0,0,0,0|1,0,1]=3 927 B8R0.9 O=C(O)CNC(=O)CCl Amb1144436 [0,1,0,0,0,0|1,0,0]=2 928 B8R0.9 O=C(O)CNC(=O)CO Amb18124375 [0,1,0,0,0,0|1,0,0]=2 929 B8R0.9 O=C(O)COC(=O)CCl Amb18644547 [0,1,0,0,0,0|1,0,0]=2 930 B8R0.9 O=C(O)CSC(=O)CS Amb27213308 [0,1,0,0,0,0|1,0,0]=2 931 B8R0.9 O=C(O)CS\C(Cl)=C\Cl Amb27858758 [0,1,0,0,0,0|2,0,1]=4 932 B8R0.9 O=C(O)\C=C\C(=O)NO Amb28060797 [0,1,0,0,0,0|1,0,2]=4 933 B8R0.9 O=CC(=O)CCC(=O)O Amb18642737 [0,1,0,0,0,0|0,0,1]=2 934 B8R0.9 O=NN(O)CCC(=O)O Amb27495384 [0,1,0,0,0,0|2,0,0]=3 935 B8R0.23 BC(CC(=O)O)C(=O)O Amb28287358 [0,1,0,0,0,0|1,0,0]=2 936 B8R0.23 C=C(Br)CC(N)C(=O)O Amb24557771 [0,1,0,0,0,0|1,0,1]=3 937 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O Amb22746251 [0,1,0,0,0,0|1,0,1]=3 938 B8R0.23 C=C(Br)C[C@H](N)C(=O)O Amb25918807 [0,1,0,0,0,0|1,0,1]=3 939 B8R0.23 C=C(Br)[C@@H](O)CC(=O)O Amb27392180 [0,1,0,0,0,0|1,0,1]=3 940 B8R0.23 C=C(C)C(=C)CC(C)=O Amb28324025 [0,1,0,0,0,0|2,0,1]=4 941 B8R0.23 C=C(C)C(C)CC(=O)O Amb18642614 [0,1,0,0,0,0|1,0,0]=2 942 B8R0.23 C=C(C)C(C)CC(C)=O Amb27607290 [0,1,0,0,0,0|2,0,0]=3 943 B8R0.23 C=C(C)C(N)CC(=O)O Amb2697570 [0,1,0,0,0,0|1,0,0]=2 944 B8R0.23 C=C(C)C(N)CC(N)=O Amb24401112 [0,1,0,0,0,0|2,0,0]=3 945 B8R0.23 C=C(C)C(O)CC(=O)O Amb18642756 [0,1,0,0,0,0|1,0,0]=2 946 B8R0.23 C=C(C)C(O)CC(C)=O Amb27605750 [0,1,0,0,0,0|2,0,0]=3 947 B8R0.23 C=C(C)CC(=C)C(C)=O Amb27215898 [0,1,0,0,0,0|2,0,1]=4 948 B8R0.23 C=C(C)CC(=O)C(=O)O Amb28073130 [0,1,0,0,0,0|1,0,1]=3 949 B8R0.23 C=C(C)CC(C)C(=O)O Amb24471924 [0,1,0,0,0,0|1,0,0]=2 950 B8R0.23 C=C(C)CC(C)C(C)=O Amb28203090 [0,1,0,0,0,0|2,0,0]=3 951 B8R0.23 C=C(C)CC(C)C(C)O Amb28063256 [0,1,0,0,0,0|2,0,1]=4 952 B8R0.23 C=C(C)CC(Cl)C(C)=O Amb27458140 [0,1,0,0,0,0|2,0,0]=3 953 B8R0.23 C=C(C)CC(N)C(=O)O Amb6280366 [0,1,0,0,0,0|1,0,0]=2 954 B8R0.23 C=C(C)CC(N)C(N)=O Amb26326676 [0,1,0,0,0,0|2,0,0]=3 955 B8R0.23 C=C(C)CC(O)C(=C)C Amb4035848 [0,1,0,0,0,0|3,0,0]=4 956 B8R0.23 C=C(C)CC(O)C(=O)O Amb24534477 [0,1,0,0,0,0|1,0,0]=2 957 B8R0.23 C=C(C)C[C@@H](C)C(=O)O Amb24340253 [0,1,0,0,0,0|1,0,0]=2 958 B8R0.23 C=C(C)C[C@@H](N)C(=O)O Amb22801689 [0,1,0,0,0,0|1,0,0]=2 959 B8R0.23 C=C(C)C[C@H](C)C(=O)O Amb10843988 [0,1,0,0,0,0|1,0,0]=2 960 B8R0.23 C=C(C)C[C@H](N)C(=O)O Amb25757900 [0,1,0,0,0,0|1,0,0]=2 961 B8R0.23 C=C(C)OC(C)C(C)=O Amb27838756 [0,1,0,0,0,0|3,0,0]=4 962 B8R0.23 C=C(C)[C@@H](O)CC(=O)O Amb25789715 [0,1,0,0,0,0|1,0,0]=2 963 B8R0.23 C=C(C)[C@@H](O)CC(C)=O Amb26477424 [0,1,0,0,0,0|2,0,0]=3 964 B8R0.23 C=C(C)[C@H](C)CC(=O)O Amb27447241 [0,1,0,0,0,0|1,0,0]=2 965 B8R0.23 C=C(C)[C@H](O)CC(=O)O Amb28286173 [0,1,0,0,0,0|1,0,0]=2 966 B8R0.23 C=C(C)[C@H](O)CC(C)=O Amb27409964 [0,1,0,0,0,0|2,0,0]=3 967 B8R0.23 C=C(C)\C(C)=C\C(=O)O Amb17593311 [0,1,0,0,0,0|1,0,2]=4 968 B8R0.23 C=C(CC(=O)Cl)C(=O)Cl Amb17938995 [0,1,0,0,0,0|2,0,1]=4 969 B8R0.23 C=C(CC(=O)O)C(=O)O Amb6608656 [0,1,0,0,0,0|1,0,1]=3 970 B8R0.23 C=C(CC(=O)O)C(C)=O Amb27831643 [0,1,0,0,0,0|0,0,1]=2 971 B8R0.23 C=C(CC(=O)O)C(N)=O Amb22011744 [0,1,0,0,0,0|1,0,1]=3 972 B8R0.23 C=C(CC(C)C)C(=O)O Amb33542856 [0,1,0,0,0,0|1,0,2]=4 973 B8R0.23 C=C(CN(C)C)C(=O)O Amb33544507 [0,1,0,0,0,0|2,0,1]=4 974 B8R0.23 C=C(CN(C)O)C(=O)O Amb27640409 [0,1,0,0,0,0|1,0,2]=4 975 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb24411473 [0,1,0,0,0,0|1,0,1]=3 976 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb28935021 [0,1,0,0,0,0|1,0,1]=3 977 B8R0.23 C=C(Cl)CC(N)C(N)=O Amb33308519 [0,1,0,0,0,0|2,0,1]=4 978 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660529 [0,1,0,0,0,0|1,0,1]=3 979 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660530 [0,1,0,0,0,0|1,0,1]=3 980 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb28059492 [0,1,0,0,0,0|1,0,1]=3 981 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb32656263 [0,1,0,0,0,0|1,0,1]=3 982 B8R0.23 C=C(F)CC(C)C(=O)O Amb27975781 [0,1,0,0,0,0|1,0,1]=3 983 B8R0.23 C=C(F)CC(Cl)C(=O)O Amb27876022 [0,1,0,0,0,0|1,0,1]=3 984 B8R0.23 C=C(F)C[C@@H](N)C(=O)O Amb27771842 [0,1,0,0,0,0|1,0,1]=3 985 B8R0.23 C=C(NC(C)=O)C(=O)O Amb8513049 [0,1,0,0,0,0|1,0,1]=3 986 B8R0.23 C=C(NC(C)=O)C(N)=O Amb27984135 [0,1,0,0,0,0|2,0,1]=4 987 B8R0.23 C=C(OC(C)=O)C(C)=O Amb27838658 [0,1,0,0,0,0|2,0,1]=4 988 B8R0.23 CC(=N)NC(C)C(N)=O Amb27412520 [0,1,0,0,0,0|3,0,0]=4 989 B8R0.23 CC(=O)C(=O)CC(=O)O Amb17593364 [0,1,0,0,0,0|0,0,1]=2 990 B8R0.23 CC(=O)C(Br)CC(=O)O Amb27834306 [0,1,0,0,0,0|0,0,0]=1 991 B8R0.23 CC(=O)C(C)CC(=O)O Amb18292788 [0,1,0,0,0,0|0,0,0]=1 992 B8R0.23 CC(=O)C(C)CC(C)C Amb24640121 [0,1,0,0,0,0|2,0,1]=4 993 B8R0.23 CC(=O)C(C)CN(C)C Amb4019104 [0,1,0,0,0,0|3,0,0]=4 994 B8R0.23 CC(=O)C(C)NC(N)=O Amb27778024 [0,1,0,0,0,0|2,0,0]=3 995 B8R0.23 CC(=O)C(C)SC(=O)Cl Amb32679654 [0,1,0,0,0,0|2,0,0]=3 996 B8R0.23 CC(=O)C(Cl)CC(C)O Amb27454439 [0,1,0,0,0,0|1,0,1]=3 997 B8R0.23 CC(=O)C(Cl)C[N+](=O)[O-] Amb27954705 [0,1,0,0,0,0|1,0,1]=3 998 B8R0.23 CC(=O)C(N)CC(=O)O Amb2697582 [0,1,0,0,0,0|0,0,0]=1 999 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [0,1,0,0,0,0|1,0,0]=2 1000 B8R0.23 CC(=O)C(O)CC(=O)O Amb25341886 [0,1,0,0,0,0|0,0,0]=1 1001 B8R0.23 CC(=O)C(O)CC(C)C Amb26845888 [0,1,0,0,0,0|2,0,1]=4 1002 B8R0.23 CC(=O)CC(=O)C(=O)O Amb18642736 [0,1,0,0,0,0|0,0,1]=2 1003 B8R0.23 CC(=O)CC(=O)C(C)=O Amb25806867 [0,1,0,0,0,0|1,0,1]=3 1004 B8R0.23 CC(=O)CC(Br)C(C)C Amb28436887 [0,1,0,0,0,0|2,0,1]=4 1005 B8R0.23 CC(=O)CC(C)C(=O)O Amb3939893 [0,1,0,0,0,0|0,0,0]=1 1006 B8R0.23 CC(=O)CC(C)C(C)=O Amb26490545 [0,1,0,0,0,0|1,0,0]=2 1007 B8R0.23 CC(=O)CC(C)[N+](=O)[O-] Amb27210764 [0,1,0,0,0,0|1,0,1]=3 1008 B8R0.23 CC(=O)CC(Cl)=C(C)C Amb28351823 [0,1,0,0,0,0|2,0,1]=4 1009 B8R0.23 CC(=O)CC(N)C(=O)O Amb18832532 [0,1,0,0,0,0|0,0,0]=1 1010 B8R0.23 CC(=O)CC(N)C(=O)O Amb22546289 [0,1,0,0,0,0|0,0,0]=1 1011 B8R0.23 CC(=O)CC(N)C(C)C Amb27409984 [0,1,0,0,0,0|2,0,1]=4 1012 B8R0.23 CC(=O)CC(N)C(N)=O Amb27485103 [0,1,0,0,0,0|1,0,0]=2 1013 B8R0.23 CC(=O)CC(O)C(=O)O Amb22500917 [0,1,0,0,0,0|0,0,0]=1 1014 B8R0.23 CC(=O)CN(C)C(C)=O Amb27267241 [0,1,0,0,0,0|2,0,0]=3 1015 B8R0.23 CC(=O)C[C@@H](N)C(=O)O Amb22745939 [0,1,0,0,0,0|0,0,0]=1 1016 B8R0.23 CC(=O)C[C@@H](O)C(=O)O Amb26845481 [0,1,0,0,0,0|0,0,0]=1 1017 B8R0.23 CC(=O)C[C@@H](O)C(C)C Amb25135567 [0,1,0,0,0,0|2,0,1]=4 1018 B8R0.23 CC(=O)C[C@H](C)C(=O)O Amb26318005 [0,1,0,0,0,0|0,0,0]=1 1019 B8R0.23 CC(=O)C[C@H](C)C(C)=O Amb28051038 [0,1,0,0,0,0|1,0,0]=2 1020 B8R0.23 CC(=O)C[C@H](C)C(C)C Amb28285288 [0,1,0,0,0,0|2,0,1]=4 1021 B8R0.23 CC(=O)C[C@H](N)C(=O)O Amb27832342 [0,1,0,0,0,0|0,0,0]=1 1022 B8R0.23 CC(=O)C[C@H](O)C(=O)O Amb24358758 [0,1,0,0,0,0|0,0,0]=1 1023 B8R0.23 CC(=O)N(C)CB(O)O Amb8392106 [0,1,0,0,0,0|2,0,1]=4 1024 B8R0.23 CC(=O)N(C)CC(=O)O Amb33526797 [0,1,0,0,0,0|1,0,0]=2 1025 B8R0.23 CC(=O)N(C)CC(N)=O Amb8999134 [0,1,0,0,0,0|2,0,0]=3 1026 B8R0.23 CC(=O)N(C)CC(N)=S Amb17232013 [0,1,0,0,0,0|2,1,0]=4 1027 B8R0.23 CC(=O)N(Cl)CC(=O)O Amb28366945 [0,1,0,0,0,0|1,0,0]=2 1028 B8R0.23 CC(=O)NC(=O)C(C)=O Amb28245557 [0,1,0,0,0,0|2,0,1]=4 1029 B8R0.23 CC(=O)NC(Br)C(C)=O Amb28285135 [0,1,0,0,0,0|2,0,0]=3 1030 B8R0.23 CC(=O)NC(C)B(O)O Amb25125858 [0,1,0,0,0,0|2,0,1]=4 1031 B8R0.23 CC(=O)NC(C)C(=O)O Amb9745652 [0,1,0,0,0,0|1,0,0]=2 1032 B8R0.23 CC(=O)NC(C)C(C)=O Amb3093787 [0,1,0,0,0,0|2,0,0]=3 1033 B8R0.23 CC(=O)NC(C)C(N)=O Amb4018750 [0,1,0,0,0,0|2,0,0]=3 1034 B8R0.23 CC(=O)N[C@@H](C)B(O)O Amb28397356 [0,1,0,0,0,0|2,0,1]=4 1035 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Amb8390375 [0,1,0,0,0,0|1,0,0]=2 1036 B8R0.23 CC(=O)N[C@@H](C)C(N)=O Amb22168264 [0,1,0,0,0,0|2,0,0]=3 1037 B8R0.23 CC(=O)N[C@H](C)C(=O)O Amb19944277 [0,1,0,0,0,0|1,0,0]=2 1038 B8R0.23 CC(=O)OC(=O)C(C)=O Amb26528827 [0,1,0,0,0,0|2,0,1]=4 1039 B8R0.23 CC(=O)OC(C)C(=O)Cl Amb25920188 [0,1,0,0,0,0|2,0,0]=3 1040 B8R0.23 CC(=O)OC(C)C(=O)O Amb22360672 [0,1,0,0,0,0|1,0,0]=2 1041 B8R0.23 CC(=O)OC(C)C(C)=O Amb4021650 [0,1,0,0,0,0|2,0,0]=3 1042 B8R0.23 CC(=O)OC(C)C(C)O Amb28366888 [0,1,0,0,0,0|2,0,1]=4 1043 B8R0.23 CC(=O)OC(C)C(N)=O Amb27179906 [0,1,0,0,0,0|2,0,0]=3 1044 B8R0.23 CC(=O)ON(C)C(C)=O Amb4017292 [0,1,0,0,0,0|3,0,0]=4 1045 B8R0.23 CC(=O)ON(Cl)C(C)=O Amb27872417 [0,1,0,0,0,0|3,0,0]=4 1046 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl Amb3939242 [0,1,0,0,0,0|2,0,0]=3 1047 B8R0.23 CC(=O)O[C@@H](C)C(=O)O Amb3938984 [0,1,0,0,0,0|1,0,0]=2 1048 B8R0.23 CC(=O)O[C@@H](C)C(C)=O Amb26074254 [0,1,0,0,0,0|2,0,0]=3 1049 B8R0.23 CC(=O)O[C@@H](C)C(N)=S Amb28067714 [0,1,0,0,0,0|2,1,0]=4 1050 B8R0.23 CC(=O)O[C@@H](C)[C@H](C)O Amb28321279 [0,1,0,0,0,0|2,0,1]=4 1051 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl Amb27411067 [0,1,0,0,0,0|2,0,0]=3 1052 B8R0.23 CC(=O)O[C@H](C)C(=O)O Amb26458759 [0,1,0,0,0,0|1,0,0]=2 1053 B8R0.23 CC(=O)O[C@H](C)C(C)O Amb27192959 [0,1,0,0,0,0|2,0,1]=4 1054 B8R0.23 CC(=O)O[C@H](C)C(N)=O Amb27227531 [0,1,0,0,0,0|2,0,0]=3 1055 B8R0.23 CC(=O)S[C@@H](C)C(=O)O Amb26639910 [0,1,0,0,0,0|1,0,0]=2 1056 B8R0.23 CC(=O)S[C@H](C)C(=O)O Amb28118658 [0,1,0,0,0,0|1,0,0]=2 1057 B8R0.23 CC(=O)[C@@H](C)CN(C)C Amb27162005 [0,1,0,0,0,0|3,0,0]=4 1058 B8R0.23 CC(=O)[C@@H](N)CC(C)C Amb28344512 [0,1,0,0,0,0|2,0,1]=4 1059 B8R0.23 CC(=O)[C@@H](N)CC(N)=O Amb28044564 [0,1,0,0,0,0|1,0,0]=2 1060 B8R0.23 CC(=O)[C@@H](O)CC(=O)O Amb28398474 [0,1,0,0,0,0|0,0,0]=1 1061 B8R0.23 CC(=O)[C@@H](O)CC(C)C Amb28202353 [0,1,0,0,0,0|2,0,1]=4 1062 B8R0.23 CC(=O)[C@H](C)CC(=O)O Amb25360184 [0,1,0,0,0,0|0,0,0]=1 1063 B8R0.23 CC(=O)[C@H](N)CC(C)C Amb27490707 [0,1,0,0,0,0|2,0,1]=4 1064 B8R0.23 CC(=O)\C(Br)=C\C(=O)O Amb27983634 [0,1,0,0,0,0|0,0,2]=3 1065 B8R0.23 CC(=O)\C(C)=C\C(=O)O Amb27838567 [0,1,0,0,0,0|0,0,2]=3 1066 B8R0.23 CC(=O)\C=C(/C)C(=O)O Amb18642577 [0,1,0,0,0,0|0,0,2]=3 1067 B8R0.23 CC(=O)\C=C(/C)[PH](=O)O Amb27838812 [0,1,0,0,0,0|1,0,2]=4 1068 B8R0.23 CC(=O)\C=C(/N)C(=O)O Amb28206217 [0,1,0,0,0,0|0,0,2]=3 1069 B8R0.23 CC(=O)\C=C(/O)C(=O)O Amb28122229 [0,1,0,0,0,0|0,0,2]=3 1070 B8R0.23 CC(=O)\C=C(\Br)C(=O)O Amb27419942 [0,1,0,0,0,0|0,0,2]=3 1071 B8R0.23 CC(=O)\C=C(\C)[PH](=O)O Amb28248338 [0,1,0,0,0,0|1,0,2]=4 1072 B8R0.23 CC(=O)\C=C(\O)C(=O)O Amb25856143 [0,1,0,0,0,0|0,0,2]=3 1073 B8R0.23 CC(=O)\N=C(/C)C(C)=O Amb26476592 [0,1,0,0,0,0|2,0,1]=4 1074 B8R0.23 CC(=S)NC(C)C(=O)O Amb27876447 [0,1,0,0,0,0|1,1,0]=3 1075 B8R0.23 CC(Br)CC(=O)C(=O)O Amb28146183 [0,1,0,0,0,0|1,0,2]=4 1076 B8R0.23 CC(Br)CC(C)C(=O)O Amb27760411 [0,1,0,0,0,0|1,0,1]=3 1077 B8R0.23 CC(C)=C(C)CC(=O)O Amb18642613 [0,1,0,0,0,0|1,0,1]=3 1078 B8R0.23 CC(C)=CC(O)C(=O)O Amb28346343 [0,1,0,0,0,0|1,0,1]=3 1079 B8R0.23 CC(C)=C[C@@H](O)C(=O)O Amb27228179 [0,1,0,0,0,0|1,0,1]=3 1080 B8R0.23 CC(C)=C[C@H](O)C(=O)O Amb27473652 [0,1,0,0,0,0|1,0,1]=3 1081 B8R0.23 CC(C)C(C)CC(=O)O Amb10844380 [0,1,0,0,0,0|1,0,1]=3 1082 B8R0.23 CC(C)C(C)CC(N)=O Amb25146130 [0,1,0,0,0,0|2,0,1]=4 1083 B8R0.23 CC(C)C(Cl)CC(=O)O Amb27974166 [0,1,0,0,0,0|1,0,1]=3 1084 B8R0.23 CC(C)C(N)CC(=O)O Amb2436060 [0,1,0,0,0,0|1,0,1]=3 1085 B8R0.23 CC(C)C(N)CC(=O)O Amb31307617 [0,1,0,0,0,0|1,0,1]=3 1086 B8R0.23 CC(C)C(N)CC(N)=O Amb18296021 [0,1,0,0,0,0|2,0,1]=4 1087 B8R0.23 CC(C)C(O)CC(=O)O Amb17231878 [0,1,0,0,0,0|1,0,1]=3 1088 B8R0.23 CC(C)CC(=N)C(=O)O Amb27268516 [0,1,0,0,0,0|1,0,2]=4 1089 B8R0.23 CC(C)CC(=O)C(=O)O Amb8387123 [0,1,0,0,0,0|1,0,2]=4 1090 B8R0.23 CC(C)CC(Br)C(=O)Cl Amb26515942 [0,1,0,0,0,0|2,0,1]=4 1091 B8R0.23 CC(C)CC(Br)C(=O)O Amb16233356 [0,1,0,0,0,0|1,0,1]=3 1092 B8R0.23 CC(C)CC(C)C(=O)O Amb18975244 [0,1,0,0,0,0|1,0,1]=3 1093 B8R0.23 CC(C)CC(Cl)C(=O)Cl Amb27400431 [0,1,0,0,0,0|2,0,1]=4 1094 B8R0.23 CC(C)CC(Cl)C(=O)O Amb17593753 [0,1,0,0,0,0|1,0,1]=3 1095 B8R0.23 CC(C)CC(F)C(=O)O Amb24565634 [0,1,0,0,0,0|1,0,1]=3 1096 B8R0.23 CC(C)CC(N)C(=O)O Amb9703094 [0,1,0,0,0,0|1,0,1]=3 1097 B8R0.23 CC(C)CC(N)C(N)=O Amb6334827 [0,1,0,0,0,0|2,0,1]=4 1098 B8R0.23 CC(C)CC(N)C(N)=O Amb9729639 [0,1,0,0,0,0|2,0,1]=4 1099 B8R0.23 CC(C)CC(N)[PH](=O)O Amb27831348 [0,1,0,0,0,0|2,0,1]=4 1100 B8R0.23 CC(C)CC(O)C(=O)O Amb2694726 [0,1,0,0,0,0|1,0,1]=3 1101 B8R0.23 CC(C)CC(O)C(=O)[O-] Amb33872314 [0,1,0,0,0,0|1,0,2]=4 1102 B8R0.23 CC(C)CC(O)[PH](=O)O Amb27255267 [0,1,0,0,0,0|2,0,1]=4 1103 B8R0.23 CC(C)CC(S)C(=O)O Amb18296292 [0,1,0,0,0,0|1,0,1]=3 1104 B8R0.23 CC(C)C[C@@H](C)C(=O)O Amb10844070 [0,1,0,0,0,0|1,0,1]=3 1105 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O Amb22800398 [0,1,0,0,0,0|1,0,1]=3 1106 B8R0.23 CC(C)C[C@@H](F)C(=O)O Amb24616998 [0,1,0,0,0,0|1,0,1]=3 1107 B8R0.23 CC(C)C[C@@H](N)C(=O)O Amb2720579 [0,1,0,0,0,0|1,0,1]=3 1108 B8R0.23 CC(C)C[C@@H](N)C(N)=O Amb16183944 [0,1,0,0,0,0|2,0,1]=4 1109 B8R0.23 CC(C)C[C@@H](N)C(N)=O Amb22745197 [0,1,0,0,0,0|2,0,1]=4 1110 B8R0.23 CC(C)C[C@@H](O)C(=O)O Amb8630052 [0,1,0,0,0,0|1,0,1]=3 1111 B8R0.23 CC(C)C[C@@H](S)C(=O)O Amb27786874 [0,1,0,0,0,0|1,0,1]=3 1112 B8R0.23 CC(C)C[C@H](Br)C(=O)O Amb22226489 [0,1,0,0,0,0|1,0,1]=3 1113 B8R0.23 CC(C)C[C@H](Br)C(N)=O Amb28197754 [0,1,0,0,0,0|2,0,1]=4 1114 B8R0.23 CC(C)C[C@H](C)C(=O)O Amb10844071 [0,1,0,0,0,0|1,0,1]=3 1115 B8R0.23 CC(C)C[C@H](Cl)C(=O)Cl Amb27657532 [0,1,0,0,0,0|2,0,1]=4 1116 B8R0.23 CC(C)C[C@H](Cl)C(=O)O Amb22388637 [0,1,0,0,0,0|1,0,1]=3 1117 B8R0.23 CC(C)C[C@H](F)C(=O)O Amb10841083 [0,1,0,0,0,0|1,0,1]=3 1118 B8R0.23 CC(C)C[C@H](N)C(=O)O Amb3499446 [0,1,0,0,0,0|1,0,1]=3 1119 B8R0.23 CC(C)C[C@H](N)C(=O)S Amb27810129 [0,1,0,0,0,0|1,1,1]=4 1120 B8R0.23 CC(C)C[C@H](N)C(N)=O Amb10670112 [0,1,0,0,0,0|2,0,1]=4 1121 B8R0.23 CC(C)C[C@H](N)C(N)=O Amb8515324 [0,1,0,0,0,0|2,0,1]=4 1122 B8R0.23 CC(C)C[C@H](O)C(=O)O Amb16232074 [0,1,0,0,0,0|1,0,1]=3 1123 B8R0.23 CC(C)N(C)CC(=O)O Amb10609863 [0,1,0,0,0,0|2,0,1]=4 1124 B8R0.23 CC(C)N(C)CC(=O)O Amb6639901 [0,1,0,0,0,0|2,0,1]=4 1125 B8R0.23 CC(C)NC(C)C(=O)O Amb10199874 [0,1,0,0,0,0|2,0,1]=4 1126 B8R0.23 CC(C)NC(C)C(=O)O Amb1110769 [0,1,0,0,0,0|2,0,1]=4 1127 B8R0.23 CC(C)N[C@H](C)C(=O)O Amb26409390 [0,1,0,0,0,0|2,0,1]=4 1128 B8R0.23 CC(C)OC(C)C(=O)O Amb10607866 [0,1,0,0,0,0|2,0,1]=4 1129 B8R0.23 CC(C)OC(F)C(=O)O Amb28045324 [0,1,0,0,0,0|2,0,1]=4 1130 B8R0.23 CC(C)SC(C)C(=O)O Amb6263656 [0,1,0,0,0,0|2,0,1]=4 1131 B8R0.23 CC(C)S[C@H](C)C(=O)O Amb27771567 [0,1,0,0,0,0|2,0,1]=4 1132 B8R0.23 CC(C)[C@@H](C)CC(=O)O Amb27785773 [0,1,0,0,0,0|1,0,1]=3 1133 B8R0.23 CC(C)[C@@H](N)CC(=O)O Amb16184030 [0,1,0,0,0,0|1,0,1]=3 1134 B8R0.23 CC(C)[C@@H](N)CC(=O)O Amb22226647 [0,1,0,0,0,0|1,0,1]=3 1135 B8R0.23 CC(C)[C@@H](N)CC(N)=O Amb28340737 [0,1,0,0,0,0|2,0,1]=4 1136 B8R0.23 CC(C)[C@@H](O)CC(=O)O Amb25761246 [0,1,0,0,0,0|1,0,1]=3 1137 B8R0.23 CC(C)[C@@H](O)CC(N)=O Amb27443470 [0,1,0,0,0,0|2,0,1]=4 1138 B8R0.23 CC(C)[C@H](N)CC(=O)O Amb16184024 [0,1,0,0,0,0|1,0,1]=3 1139 B8R0.23 CC(C)[C@H](N)CC(=O)O Amb20240790 [0,1,0,0,0,0|1,0,1]=3 1140 B8R0.23 CC(C)[C@H](N)CC(N)=O Amb24481857 [0,1,0,0,0,0|2,0,1]=4 1141 B8R0.23 CC(C)[C@H](O)CC(=O)O Amb24561913 [0,1,0,0,0,0|1,0,1]=3 1142 B8R0.23 CC(CC(=N)N)C(N)=O Amb27209796 [0,1,0,0,0,0|3,0,0]=4 1143 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [0,1,0,0,0,0|2,0,0]=3 1144 B8R0.23 CC(CC(=O)O)C(=O)O Amb1935053 [0,1,0,0,0,0|1,0,0]=2 1145 B8R0.23 CC(CC(=O)O)C(F)F Amb27441233 [0,1,0,0,0,0|2,0,1]=4 1146 B8R0.23 CC(CC(=O)O)C(N)=O Amb25737942 [0,1,0,0,0,0|1,0,0]=2 1147 B8R0.23 CC(CC(=O)O)C(N)N Amb27481204 [0,1,0,0,0,0|2,0,1]=4 1148 B8R0.23 CC(CC(=O)O)N(C)C Amb8428133 [0,1,0,0,0,0|2,0,0]=3 1149 B8R0.23 CC(CC(=O)O)N(C)C Amb9173357 [0,1,0,0,0,0|2,0,0]=3 1150 B8R0.23 CC(CC(=O)O)N(C)O Amb27639550 [0,1,0,0,0,0|1,0,1]=3 1151 B8R0.23 CC(CC(F)F)C(=O)O Amb22896466 [0,1,0,0,0,0|2,0,1]=4 1152 B8R0.23 CC(CC(N)=O)C(=O)O Amb27596628 [0,1,0,0,0,0|1,0,0]=2 1153 B8R0.23 CC(CC(N)=O)C(N)=O Amb2720769 [0,1,0,0,0,0|2,0,0]=3 1154 B8R0.23 CC(CC(N)=O)N(C)C Amb17231867 [0,1,0,0,0,0|3,0,0]=4 1155 B8R0.23 CC(CN(C)C)C(=O)O Amb8428203 [0,1,0,0,0,0|2,0,0]=3 1156 B8R0.23 CC(CN(C)C)C(=O)O Amb9173365 [0,1,0,0,0,0|2,0,0]=3 1157 B8R0.23 CC(CN(C)C)C(N)=O Amb17231865 [0,1,0,0,0,0|3,0,0]=4 1158 B8R0.23 CC(CN(C)N)C(=O)O Amb28145156 [0,1,0,0,0,0|2,0,0]=3 1159 B8R0.23 CC(CS(=O)O)C(=O)O Amb28118949 [0,1,0,0,0,0|2,0,0]=3 1160 B8R0.23 CC(CS(C)=O)C(=O)O Amb18974546 [0,1,0,0,0,0|1,0,0]=2 1161 B8R0.23 CC(CS(C)=O)C(N)=O Amb27981416 [0,1,0,0,0,0|2,0,0]=3 1162 B8R0.23 CC(C[PH](=O)O)C(=O)O Amb27477749 [0,1,0,0,0,0|2,0,0]=3 1163 B8R0.23 CC(Cl)CC(N)C(=O)O Amb28325413 [0,1,0,0,0,0|1,0,1]=3 1164 B8R0.23 CC(N)C(O)CC(=O)O Amb27796214 [0,1,0,0,0,0|1,0,1]=3 1165 B8R0.23 CC(N)C(O)CC(N)=O Amb28184577 [0,1,0,0,0,0|2,0,1]=4 1166 B8R0.23 CC(N)C(O)C[PH](=O)O Amb28130506 [0,1,0,0,0,0|2,0,1]=4 1167 B8R0.23 CC(N)CC(N)C(=O)O Amb28144636 [0,1,0,0,0,0|1,0,1]=3 1168 B8R0.23 CC(N)CC(O)C(=O)O Amb27975686 [0,1,0,0,0,0|1,0,1]=3 1169 B8R0.23 CC(N)[C@@H](O)C[PH](=O)O Amb27841881 [0,1,0,0,0,0|2,0,1]=4 1170 B8R0.23 CC(NC(=N)N)C(=O)O Amb22522920 [0,1,0,0,0,0|3,0,0]=4 1171 B8R0.23 CC(NC(=S)S)C(=O)O Amb25336384 [0,1,0,0,0,0|2,1,0]=4 1172 B8R0.23 CC(NC(N)=O)C(=O)O Amb9745673 [0,1,0,0,0,0|2,0,0]=3 1173 B8R0.23 CC(N[N+](=O)[O-])C(=O)O Amb27873513 [0,1,0,0,0,0|3,0,0]=4 1174 B8R0.23 CC(O)C(N)CC(=O)O Amb27424723 [0,1,0,0,0,0|0,0,2]=3 1175 B8R0.23 CC(O)C(N)CC(N)=O Amb27246007 [0,1,0,0,0,0|1,0,2]=4 1176 B8R0.23 CC(O)CC(=O)C(=O)O Amb25789747 [0,1,0,0,0,0|0,0,3]=4 1177 B8R0.23 CC(O)CC(N)C(=O)O Amb18642918 [0,1,0,0,0,0|0,0,2]=3 1178 B8R0.23 CC(O)CC(N)C(N)=O Amb33065888 [0,1,0,0,0,0|1,0,2]=4 1179 B8R0.23 CC(O)C[C@@H](N)C(=O)O Amb26985188 [0,1,0,0,0,0|0,0,2]=3 1180 B8R0.23 CC(O)C[C@H](N)C(=O)O Amb27185464 [0,1,0,0,0,0|0,0,2]=3 1181 B8R0.23 CC(OC(=O)Cl)C(=O)O Amb27241520 [0,1,0,0,0,0|2,0,0]=3 1182 B8R0.23 CC(O[N+](=O)[O-])C(=O)O Amb27947983 [0,1,0,0,0,0|3,0,0]=4 1183 B8R0.23 CC(\N=C(/N)S)C(=O)O Amb22229340 [0,1,0,0,0,0|2,1,0]=4 1184 B8R0.23 CN(C)C(=O)CC(=O)O Amb17399822 [0,1,0,0,0,0|2,0,1]=4 1185 B8R0.23 CN(C)CC(N)C(=O)O Amb23558085 [0,1,0,0,0,0|2,0,0]=3 1186 B8R0.23 CN(C)CC(N)C(=O)O Amb32644516 [0,1,0,0,0,0|2,0,0]=3 1187 B8R0.23 CN(C)CC(N)C(=O)O Amb33756799 [0,1,0,0,0,0|2,0,0]=3 1188 B8R0.23 CN(C)CC(N)C(N)=O Amb18984335 [0,1,0,0,0,0|3,0,0]=4 1189 B8R0.23 CN(C)CC(O)C(=O)O Amb27856754 [0,1,0,0,0,0|2,0,0]=3 1190 B8R0.23 CN(C)C[C@@H](N)C(=O)O Amb19889770 [0,1,0,0,0,0|2,0,0]=3 1191 B8R0.23 CN(C)C[C@H](N)C(=O)O Amb24078627 [0,1,0,0,0,0|2,0,0]=3 1192 B8R0.23 CN(C)C[C@H](N)C(=O)O Amb8515079 [0,1,0,0,0,0|2,0,0]=3 1193 B8R0.23 CN(C)C[C@H](O)C(=O)O Amb24372674 [0,1,0,0,0,0|2,0,0]=3 1194 B8R0.23 CN(CC(=O)O)C(=N)N Amb22167307 [0,1,0,0,0,0|3,0,0]=4 1195 B8R0.23 CN(CC(=O)O)C(=N)N Amb3940365 [0,1,0,0,0,0|3,0,0]=4 1196 B8R0.23 CN(CC(=O)O)C(=N)N Amb5638543 [0,1,0,0,0,0|3,0,0]=4 1197 B8R0.23 CN(CC(=O)O)C(=O)Cl Amb27484119 [0,1,0,0,0,0|2,0,0]=3 1198 B8R0.23 CN(CC(=O)O)C(=S)S Amb1042470 [0,1,0,0,0,0|2,1,0]=4 1199 B8R0.23 CN(CC(=O)O)C(N)=O Amb2371395 [0,1,0,0,0,0|2,0,0]=3 1200 B8R0.23 CN(CC(=O)O)S(C)=O Amb27862060 [0,1,0,0,0,0|2,0,0]=3 1201 B8R0.23 CN(CC(=O)O)[N+](=O)[O-] Amb27154042 [0,1,0,0,0,0|3,0,0]=4 1202 B8R0.23 CN(N)C(=O)CC(=O)O Amb25326354 [0,1,0,0,0,0|2,0,1]=4 1203 B8R0.23 CS(=N)C[C@H](N)C(=O)O Amb27838573 [0,1,0,0,0,0|2,0,0]=3 1204 B8R0.23 CS(=O)CC(=O)C(=O)Cl Amb27861442 [0,1,0,0,0,0|2,0,1]=4 1205 B8R0.23 CS(=O)CC(N)C(=O)O Amb18125279 [0,1,0,0,0,0|1,0,0]=2 1206 B8R0.23 CS(=O)CC(N)C(N)=O Amb27608115 [0,1,0,0,0,0|2,0,0]=3 1207 B8R0.23 CS(=O)C[C@@H](N)C(=O)O Amb22745418 [0,1,0,0,0,0|1,0,0]=2 1208 B8R0.23 CS(=O)C[C@H](N)C(=O)O Amb16232229 [0,1,0,0,0,0|1,0,0]=2 1209 B8R0.23 C[C@@H](CC(=O)O)C(=O)O Amb22226742 [0,1,0,0,0,0|1,0,0]=2 1210 B8R0.23 C[C@@H](CC(F)F)C(=O)O Amb33749533 [0,1,0,0,0,0|2,0,1]=4 1211 B8R0.23 C[C@@H](Cl)C[C@H](N)C(=O)O Amb27863035 [0,1,0,0,0,0|1,0,1]=3 1212 B8R0.23 C[C@@H](NC(N)=O)C(=O)O Amb27242972 [0,1,0,0,0,0|2,0,0]=3 1213 B8R0.23 C[C@@H](NC(N)=O)C(N)=O Amb27394390 [0,1,0,0,0,0|3,0,0]=4 1214 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O Amb27254158 [0,1,0,0,0,0|0,0,2]=3 1215 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Amb22168848 [0,1,0,0,0,0|0,0,2]=3 1216 B8R0.23 C[C@@H](OC(N)=O)C(=O)O Amb35655773 [0,1,0,0,0,0|2,0,0]=3 1217 B8R0.23 C[C@H](CC(=O)O)C(=O)O Amb22225399 [0,1,0,0,0,0|1,0,0]=2 1218 B8R0.23 C[C@H](CC(=O)O)C(Cl)Cl Amb28292581 [0,1,0,0,0,0|2,0,1]=4 1219 B8R0.23 C[C@H](CC(=O)O)C(N)=O Amb28133461 [0,1,0,0,0,0|1,0,0]=2 1220 B8R0.23 C[C@H](CC(=O)O)S(C)=O Amb27410588 [0,1,0,0,0,0|1,0,0]=2 1221 B8R0.23 C[C@H](CC(F)F)C(=O)O Amb33727762 [0,1,0,0,0,0|2,0,1]=4 1222 B8R0.23 C[C@H](N)C(O)CC(=O)O Amb27622153 [0,1,0,0,0,0|1,0,1]=3 1223 B8R0.23 C[C@H](N)C[C@@H](O)C(=O)O Amb27231129 [0,1,0,0,0,0|1,0,1]=3 1224 B8R0.23 C[C@H](N)C[C@H](N)C(=O)O Amb27815088 [0,1,0,0,0,0|1,0,1]=3 1225 B8R0.23 C[C@H](N)C[C@H](O)C(=O)O Amb27180466 [0,1,0,0,0,0|1,0,1]=3 1226 B8R0.23 C[C@H](N)[C@H](O)CC(=O)O Amb27975677 [0,1,0,0,0,0|1,0,1]=3 1227 B8R0.23 C[C@H](NC(=N)N)C(=O)O Amb24388432 [0,1,0,0,0,0|3,0,0]=4 1228 B8R0.23 C[C@H](NC(=O)Cl)C(=O)Cl Amb28292733 [0,1,0,0,0,0|3,0,0]=4 1229 B8R0.23 C[C@H](NC(N)=O)C(=O)O Amb545023 [0,1,0,0,0,0|2,0,0]=3 1230 B8R0.23 C[C@H](NS(C)=O)C(=O)O Amb27212723 [0,1,0,0,0,0|2,0,0]=3 1231 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O Amb16184021 [0,1,0,0,0,0|0,0,2]=3 1232 B8R0.23 C[S@@](=O)C[C@H](N)C(=O)O Amb35789128 [0,1,0,0,0,0|1,0,0]=2 1233 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb33756818 [0,1,0,0,0,0|1,0,0]=2 1234 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb35788678 [0,1,0,0,0,0|1,0,0]=2 1235 B8R0.23 C\C(=C/C(=O)O)C(=O)O Amb9703112 [0,1,0,0,0,0|1,0,2]=4 1236 B8R0.23 C\C(=C/C(=O)O)C(N)=O Amb28350555 [0,1,0,0,0,0|1,0,2]=4 1237 B8R0.23 C\C(=C/C(N)=O)C(=O)O Amb28060883 [0,1,0,0,0,0|1,0,2]=4 1238 B8R0.23 C\C(=C\C(=O)O)C(=O)O Amb8391132 [0,1,0,0,0,0|1,0,2]=4 1239 B8R0.23 C\C(Cl)=C/C(C)C(=O)O Amb28285105 [0,1,0,0,0,0|1,0,1]=3 1240 B8R0.23 C\C(Cl)=C/C(Cl)C(=O)O Amb28128482 [0,1,0,0,0,0|1,0,1]=3 1241 B8R0.23 C\C(N)=N/[C@H](C)C(N)=O Amb28049817 [0,1,0,0,0,0|3,0,0]=4 1242 B8R0.23 C\C(N)=[N+](\C)CC(=O)[O-] Amb25339595 [0,1,0,0,0,0|2,0,1]=4 1243 B8R0.23 NC(=O)C(=S)CC(O)=S Amb28323012 [0,1,0,0,0,0|1,1,1]=4 1244 B8R0.23 NC(=O)C(N)CC(=O)O Amb18124347 [0,1,0,0,0,0|1,0,0]=2 1245 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666212 [0,1,0,0,0,0|1,0,0]=2 1246 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666239 [0,1,0,0,0,0|1,0,0]=2 1247 B8R0.23 NC(=O)C(O)CC(=O)[O-] Amb33068981 [0,1,0,0,0,0|1,0,1]=3 1248 B8R0.23 NC(=O)CC(Br)C(=O)O Amb26012685 [0,1,0,0,0,0|1,0,0]=2 1249 B8R0.23 NC(=O)CC(Cl)C(=O)O Amb27478086 [0,1,0,0,0,0|1,0,0]=2 1250 B8R0.23 NC(=O)CC(N)C(=O)O Amb2725509 [0,1,0,0,0,0|1,0,0]=2 1251 B8R0.23 NC(=O)CC(N)C(=O)O Amb3940878 [0,1,0,0,0,0|1,0,0]=2 1252 B8R0.23 NC(=O)CC(N)C(N)=O Amb18289248 [0,1,0,0,0,0|2,0,0]=3 1253 B8R0.23 NC(=O)CC(O)C(=O)O Amb27807542 [0,1,0,0,0,0|1,0,0]=2 1254 B8R0.23 NC(=O)CC(O)C(N)=O Amb27961515 [0,1,0,0,0,0|2,0,0]=3 1255 B8R0.23 NC(=O)CC(S)C(=O)O Amb27494183 [0,1,0,0,0,0|1,0,0]=2 1256 B8R0.23 NC(=O)C[C@@H](Br)C(=O)O Amb27858620 [0,1,0,0,0,0|1,0,0]=2 1257 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb10071271 [0,1,0,0,0,0|1,0,0]=2 1258 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb17749060 [0,1,0,0,0,0|1,0,0]=2 1259 B8R0.23 NC(=O)C[C@@H](N)C(N)=O Amb28423711 [0,1,0,0,0,0|2,0,0]=3 1260 B8R0.23 NC(=O)C[C@@H](O)C(=O)O Amb24681022 [0,1,0,0,0,0|1,0,0]=2 1261 B8R0.23 NC(=O)C[C@@H](O)C(N)=O Amb27258074 [0,1,0,0,0,0|2,0,0]=3 1262 B8R0.23 NC(=O)C[C@@H](S)C(=O)O Amb27234637 [0,1,0,0,0,0|1,0,0]=2 1263 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb3940760 [0,1,0,0,0,0|1,0,0]=2 1264 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb8513755 [0,1,0,0,0,0|1,0,0]=2 1265 B8R0.23 NC(=O)C[C@H](N)C(N)=O Amb16183882 [0,1,0,0,0,0|2,0,0]=3 1266 B8R0.23 NC(=O)C[C@H](S)C(=O)O Amb27253643 [0,1,0,0,0,0|1,0,0]=2 1267 B8R0.23 NC(=O)N(N)CC(=O)O Amb6296397 [0,1,0,0,0,0|2,0,0]=3 1268 B8R0.23 NC(=O)NC(=O)C(=O)O Amb18124345 [0,1,0,0,0,0|2,0,1]=4 1269 B8R0.23 NC(=O)NC(O)C(=O)O Amb24592607 [0,1,0,0,0,0|2,0,0]=3 1270 B8R0.23 NC(=O)N[C@@H](O)C(=O)O Amb28287313 [0,1,0,0,0,0|2,0,0]=3 1271 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb19334954 [0,1,0,0,0,0|1,0,0]=2 1272 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb31291739 [0,1,0,0,0,0|1,0,0]=2 1273 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb32652393 [0,1,0,0,0,0|1,0,0]=2 1274 B8R0.23 NC(=O)[C@H](N)CC(=O)O Amb27768775 [0,1,0,0,0,0|1,0,0]=2 1275 B8R0.23 NC(=O)\C(N)=C\C(=O)O Amb28046027 [0,1,0,0,0,0|1,0,2]=4 1276 B8R0.23 NC(=O)\C=C(/Cl)C(=O)O Amb27815058 [0,1,0,0,0,0|1,0,2]=4 1277 B8R0.23 NC(=O)\C=C(\F)C(=O)O Amb27447226 [0,1,0,0,0,0|1,0,2]=4 1278 B8R0.23 NC(=S)C[C@H](N)C(=O)O Amb28410343 [0,1,0,0,0,0|1,1,0]=3 1279 B8R0.23 NC(C=C(Cl)Cl)C(=O)O Amb22350718 [0,1,0,0,0,0|2,0,1]=4 1280 B8R0.23 NC(C=S(=O)=O)C(=O)O Amb27231764 [0,1,0,0,0,0|2,0,1]=4 1281 B8R0.23 NC(CB(O)O)C(=O)O Amb28285179 [0,1,0,0,0,0|2,0,1]=4 1282 B8R0.23 NC(CB(O)O)C(=O)O Amb33803309 [0,1,0,0,0,0|2,0,1]=4 1283 B8R0.23 NC(CC(=O)O)C(=O)O Amb9702780 [0,1,0,0,0,0|1,0,0]=2 1284 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22167994 [0,1,0,0,0,0|1,0,0]=2 1285 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22337568 [0,1,0,0,0,0|1,0,0]=2 1286 B8R0.23 NC(CC(=O)O)C(Cl)Cl Amb27964120 [0,1,0,0,0,0|2,0,1]=4 1287 B8R0.23 NC(CC(=O)O)C(F)F Amb23570587 [0,1,0,0,0,0|2,0,1]=4 1288 B8R0.23 NC(CC(Cl)Cl)C(=O)O Amb27791749 [0,1,0,0,0,0|2,0,1]=4 1289 B8R0.23 NC(CC(F)F)C(=O)O Amb13952714 [0,1,0,0,0,0|2,0,1]=4 1290 B8R0.23 NC(CC(F)F)C(=O)O Amb33546007 [0,1,0,0,0,0|2,0,1]=4 1291 B8R0.23 NC(CS(=O)O)C(=O)O Amb541272 [0,1,0,0,0,0|2,0,0]=3 1292 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb34163080 [0,1,0,0,0,0|1,0,0]=2 1293 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb3940320 [0,1,0,0,0,0|1,0,0]=2 1294 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] Amb22801032 [0,1,0,0,0,0|1,0,0]=2 1295 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb20240565 [0,1,0,0,0,0|1,0,0]=2 1296 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb22748769 [0,1,0,0,0,0|1,0,0]=2 1297 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] Amb22757383 [0,1,0,0,0,0|1,0,1]=3 1298 B8R0.23 N[C@@H](CC(F)F)C(=O)O Amb26944439 [0,1,0,0,0,0|2,0,1]=4 1299 B8R0.23 N[C@@H](CC(F)F)C(=O)O Amb33482837 [0,1,0,0,0,0|2,0,1]=4 1300 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb6600148 [0,1,0,0,0,0|2,0,0]=3 1301 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb9809803 [0,1,0,0,0,0|2,0,0]=3 1302 B8R0.23 N[C@@H](C[SH](=O)=O)C(=O)O Amb27858626 [0,1,0,0,0,0|2,0,0]=3 1303 B8R0.23 N[C@H](CC(=O)O)C(=O)O Amb6599992 [0,1,0,0,0,0|1,0,0]=2 1304 B8R0.23 N[C@H](CC(F)F)C(=O)O Amb25117310 [0,1,0,0,0,0|2,0,1]=4 1305 B8R0.23 N[C@H](CC(F)F)C(=O)O Amb33743521 [0,1,0,0,0,0|2,0,1]=4 1306 B8R0.23 O=C(Cl)CC(Cl)C(=O)Cl Amb28122555 [0,1,0,0,0,0|2,0,0]=3 1307 B8R0.23 O=C(O)C(=O)C[PH](=O)O Amb27218009 [0,1,0,0,0,0|2,0,1]=4 1308 B8R0.23 O=C(O)C(O)CC(F)F Amb25274709 [0,1,0,0,0,0|2,0,1]=4 1309 B8R0.23 O=C(O)C(O)CC(O)O Amb28397948 [0,1,0,0,0,0|1,0,2]=4 1310 B8R0.23 O=C(O)C(O)C[N+](=O)[O-] Amb6883775 [0,1,0,0,0,0|2,0,0]=3 1311 B8R0.23 O=C(O)CC(=O)C(=O)O Amb3909986 [0,1,0,0,0,0|1,0,1]=3 1312 B8R0.23 O=C(O)CC(=S)C(=O)O Amb25304511 [0,1,0,0,0,0|1,0,1]=3 1313 B8R0.23 O=C(O)CC(Br)C(=O)O Amb3941503 [0,1,0,0,0,0|1,0,0]=2 1314 B8R0.23 O=C(O)CC(Cl)=C(Cl)Cl Amb2227973 [0,1,0,0,0,0|2,0,1]=4 1315 B8R0.23 O=C(O)CC(Cl)C(=O)O Amb9825869 [0,1,0,0,0,0|1,0,0]=2 1316 B8R0.23 O=C(O)CC(O)C(=O)O Amb8513238 [0,1,0,0,0,0|1,0,0]=2 1317 B8R0.23 O=C(O)CC(O)C(Cl)Cl Amb27985520 [0,1,0,0,0,0|2,0,1]=4 1318 B8R0.23 O=C(O)CC(S)C(=O)O Amb2779994 [0,1,0,0,0,0|1,0,0]=2 1319 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O Amb22504149 [0,1,0,0,0,0|1,0,0]=2 1320 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O Amb20242424 [0,1,0,0,0,0|1,0,0]=2 1321 B8R0.23 O=C(O)C[C@@H](F)C(=O)O Amb27173500 [0,1,0,0,0,0|1,0,0]=2 1322 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Amb4166311 [0,1,0,0,0,0|1,0,0]=2 1323 B8R0.23 O=C(O)C[C@@H](O)C(F)F Amb33337779 [0,1,0,0,0,0|2,0,1]=4 1324 B8R0.23 O=C(O)C[C@H](Br)C(=O)O Amb8629197 [0,1,0,0,0,0|1,0,0]=2 1325 B8R0.23 O=C(O)C[C@H](Cl)C(=O)O Amb20242425 [0,1,0,0,0,0|1,0,0]=2 1326 B8R0.23 O=C(O)C[C@H](F)C(=O)O Amb27167819 [0,1,0,0,0,0|1,0,0]=2 1327 B8R0.23 O=C(O)C[C@H](O)C(=O)O Amb6599993 [0,1,0,0,0,0|1,0,0]=2 1328 B8R0.23 O=C(O)C[C@H](O)C(F)F Amb33485299 [0,1,0,0,0,0|2,0,1]=4 1329 B8R0.23 O=C(O)[C@H](Cl)CC(Cl)Cl Amb27831354 [0,1,0,0,0,0|2,0,1]=4 1330 B8R0.23 O=C(O)\C=C(/Br)C(=O)O Amb31275762 [0,1,0,0,0,0|1,0,2]=4 1331 B8R0.23 O=C(O)\C=C(/Cl)C(=O)O Amb4007497 [0,1,0,0,0,0|1,0,2]=4 1332 B8R0.23 O=C(O)\C=C(/F)C(=O)O Amb26860064 [0,1,0,0,0,0|1,0,2]=4 1333 B8R0.23 O=C(O)\C=C(/I)C(=O)O Amb10755055 [0,1,0,0,0,0|1,0,2]=4 1334 B8R0.23 O=C(O)\C=C(\Br)C(=O)O Amb25746120 [0,1,0,0,0,0|1,0,2]=4 1335 B8R0.23 O=C(O)\C=C(\F)C(=O)O Amb18124397 [0,1,0,0,0,0|1,0,2]=4 1336 B8R0.23 O=C([O-])CC(O)C(=O)[O-] Amb30876864 [0,1,0,0,0,0|1,0,1]=3 1337 B8R0.23 O=C([O-])C[C@H](O)C(=O)[O-] Amb22351833 [0,1,0,0,0,0|1,0,1]=3 1338 B8R0.29 C=C(C)CCP(=O)(O)O Amb27163975 [0,1,0,0,0,0|2,0,0]=3 1339 B8R0.29 C=C(C)CCS(=O)(=O)Cl Amb26951210 [0,1,0,0,0,0|2,0,1]=4 1340 B8R0.29 C=C(C)CCS(=O)(=O)F Amb33076588 [0,1,0,0,0,0|2,0,1]=4 1341 B8R0.29 C=C(C)CCS(N)(=O)=O Amb28134165 [0,1,0,0,0,0|2,0,1]=4 1342 B8R0.29 CC(=N)NCS(=O)(=O)O Amb27238670 [0,1,0,0,0,0|3,0,0]=4 1343 B8R0.29 CC(=O)CCC(C)(C)C Amb27481983 [0,1,0,0,0,0|2,0,1]=4 1344 B8R0.29 CC(=O)CCC(C)(C)Cl Amb27260509 [0,1,0,0,0,0|2,0,1]=4 1345 B8R0.29 CC(=O)CCC(C)(C)F Amb26512496 [0,1,0,0,0,0|2,0,1]=4 1346 B8R0.29 CC(=O)CCC(C)(C)O Amb26961451 [0,1,0,0,0,0|1,0,1]=3 1347 B8R0.29 CC(=O)CCC(C)(F)F Amb26479040 [0,1,0,0,0,0|2,0,1]=4 1348 B8R0.29 CC(=O)CCC(F)(F)F Amb24055935 [0,1,0,0,0,0|2,0,1]=4 1349 B8R0.29 CC(=O)CCS(C)(=O)=O Amb18181020 [0,1,0,0,0,0|1,0,1]=3 1350 B8R0.29 CC(=O)CC[B-](F)(F)F Amb24746663 [0,1,0,0,0,0|3,0,0]=4 1351 B8R0.29 CC(=O)CC[N+](C)(C)C Amb4015632 [0,1,0,0,0,0|3,0,0]=4 1352 B8R0.29 CC(=O)CC[Si](C)(C)C Amb28324359 [0,1,0,0,0,0|2,1,0]=4 1353 B8R0.29 CC(=O)CC[Si](C)(C)Cl Amb27828965 [0,1,0,0,0,0|2,1,0]=4 1354 B8R0.29 CC(=O)COP(C)(C)=O Amb27749793 [0,1,0,0,0,0|3,0,0]=4 1355 B8R0.29 CC(=O)COS(C)(=O)=O Amb24737069 [0,1,0,0,0,0|2,0,1]=4 1356 B8R0.29 CC(=O)CSS(=O)(=O)O Amb27256676 [0,1,0,0,0,0|2,0,0]=3 1357 B8R0.29 CC(=O)NCC(C)(C)O Amb25082896 [0,1,0,0,0,0|2,0,1]=4 1358 B8R0.29 CC(=O)NCC(O)(O)O Amb27817621 [0,1,0,0,0,0|1,0,2]=4 1359 B8R0.29 CC(=O)NCP(=O)(O)O Amb26515978 [0,1,0,0,0,0|2,0,0]=3 1360 B8R0.29 CC(=O)NC[Si](C)(C)O Amb27837682 [0,1,0,0,0,0|2,1,0]=4 1361 B8R0.29 CC(=O)SCC(C)(C)O Amb27397144 [0,1,0,0,0,0|2,0,1]=4 1362 B8R0.29 CC(C)(Br)CCC(=O)O Amb27402242 [0,1,0,0,0,0|1,0,1]=3 1363 B8R0.29 CC(C)(C)CCC(=O)Cl Amb25105178 [0,1,0,0,0,0|2,0,1]=4 1364 B8R0.29 CC(C)(C)CCC(=O)O Amb8467936 [0,1,0,0,0,0|1,0,1]=3 1365 B8R0.29 CC(C)(C)CCC(N)=O Amb28349074 [0,1,0,0,0,0|2,0,1]=4 1366 B8R0.29 CC(C)(C)NCC(=O)O Amb10610332 [0,1,0,0,0,0|2,0,1]=4 1367 B8R0.29 CC(C)(C)NCC(=O)O Amb7766549 [0,1,0,0,0,0|2,0,1]=4 1368 B8R0.29 CC(C)(C)OCC(=O)O Amb2691328 [0,1,0,0,0,0|2,0,1]=4 1369 B8R0.29 CC(C)(C)SCC(=O)O Amb433078 [0,1,0,0,0,0|2,0,1]=4 1370 B8R0.29 CC(C)(C)[NH2+]CC(=O)O Amb2695316 [0,1,0,0,0,0|2,0,1]=4 1371 B8R0.29 CC(C)(Cl)CCC(=O)O Amb18644451 [0,1,0,0,0,0|1,0,1]=3 1372 B8R0.29 CC(C)(F)CCC(=O)O Amb26316862 [0,1,0,0,0,0|1,0,1]=3 1373 B8R0.29 CC(C)(F)OCC(=O)O Amb33225288 [0,1,0,0,0,0|2,0,1]=4 1374 B8R0.29 CC(C)(N)CCC(=O)O Amb13951332 [0,1,0,0,0,0|1,0,1]=3 1375 B8R0.29 CC(C)(N)CCC(=O)O Amb6740013 [0,1,0,0,0,0|1,0,1]=3 1376 B8R0.29 CC(C)(O)CCC(=O)[O-] Amb33552947 [0,1,0,0,0,0|0,0,3]=4 1377 B8R0.29 CC(C)(O)CCC(N)=O Amb27667598 [0,1,0,0,0,0|1,0,2]=4 1378 B8R0.29 CC(C)(S)CCC(=O)O Amb22489759 [0,1,0,0,0,0|0,1,1]=3 1379 B8R0.29 CC(C)CCS(=O)(=O)O Amb26996755 [0,1,0,0,0,0|2,0,1]=4 1380 B8R0.29 CC(F)(F)CCC(=O)O Amb6252611 [0,1,0,0,0,0|1,0,1]=3 1381 B8R0.29 CC(F)(F)OCC(=O)O Amb32809085 [0,1,0,0,0,0|2,0,1]=4 1382 B8R0.29 CC(N)CCP(=O)(O)O Amb27392223 [0,1,0,0,0,0|2,0,1]=4 1383 B8R0.29 CC(O)CCS(C)(=O)=O Amb18180142 [0,1,0,0,0,0|2,0,1]=4 1384 B8R0.29 CN(C)CCP(=O)(O)O Amb26639131 [0,1,0,0,0,0|3,0,0]=4 1385 B8R0.29 CN(C)CCS(=O)(=O)O Amb25875615 [0,1,0,0,0,0|3,0,0]=4 1386 B8R0.29 CN(O)CCS(C)(=O)=O Amb33055741 [0,1,0,0,0,0|3,0,0]=4 1387 B8R0.29 CP(=O)(O)CCC(=O)O Amb1792559 [0,1,0,0,0,0|1,0,0]=2 1388 B8R0.29 CP(=O)(O)OCC(=O)O Amb26578720 [0,1,0,0,0,0|2,0,0]=3 1389 B8R0.29 CS(=N)(=O)NCC(=O)O Amb35687837 [0,1,0,0,0,0|2,0,0]=3 1390 B8R0.29 CS(=N)(=O)NCC(N)=O Amb30019446 [0,1,0,0,0,0|3,0,0]=4 1391 B8R0.29 CS(=O)(=O)CCC(=N)N Amb18179242 [0,1,0,0,0,0|3,0,0]=4 1392 B8R0.29 CS(=O)(=O)CCC(=O)O Amb6275720 [0,1,0,0,0,0|1,0,0]=2 1393 B8R0.29 CS(=O)(=O)CCC(N)=S Amb17503319 [0,1,0,0,0,0|2,1,0]=4 1394 B8R0.29 CS(=O)(=O)CCS(=O)Cl Amb24582948 [0,1,0,0,0,0|3,0,0]=4 1395 B8R0.29 CS(=O)(=O)CCS(=O)[O-] Amb27770530 [0,1,0,0,0,0|2,0,1]=4 1396 B8R0.29 CS(=O)(=O)CCS(N)=O Amb32720350 [0,1,0,0,0,0|3,0,0]=4 1397 B8R0.29 CS(=O)(=O)CC[N+](=O)[O-] Amb33055917 [0,1,0,0,0,0|2,0,1]=4 1398 B8R0.29 CS(=O)(=O)NCC(=O)Cl Amb5742077 [0,1,0,0,0,0|3,0,0]=4 1399 B8R0.29 CS(=O)(=O)NCC(=O)O Amb1120433 [0,1,0,0,0,0|2,0,0]=3 1400 B8R0.29 CS(=O)(=O)NCC(=O)[O-] Amb7969413 [0,1,0,0,0,0|2,0,1]=4 1401 B8R0.29 CS(=O)(=O)NCC(N)=O Amb17232098 [0,1,0,0,0,0|3,0,0]=4 1402 B8R0.29 CS(=O)(=O)OCC(=O)O Amb25783884 [0,1,0,0,0,0|2,0,0]=3 1403 B8R0.29 CS(=O)(=O)OCC(N)=O Amb24601490 [0,1,0,0,0,0|3,0,0]=4 1404 B8R0.29 CS(=O)(=O)SCC(=O)O Amb17610576 [0,1,0,0,0,0|2,0,0]=3 1405 B8R0.29 CS(=O)(=O)\C=C\C(=O)O Amb23511152 [0,1,0,0,0,0|1,0,2]=4 1406 B8R0.29 CS(=O)CCS(C)(=O)=O Amb28142621 [0,1,0,0,0,0|2,0,1]=4 1407 B8R0.29 CS(=O)CCS(N)(=O)=O Amb27883192 [0,1,0,0,0,0|2,0,1]=4 1408 B8R0.29 CS(C)(=O)=NCC(=O)O Amb27159666 [0,1,0,0,0,0|2,0,0]=3 1409 B8R0.29 C[C@@H](O)CCS(C)(=O)=O Amb33055796 [0,1,0,0,0,0|2,0,1]=4 1410 B8R0.29 C[C@H](O)CCS(C)(=O)=O Amb33055794 [0,1,0,0,0,0|2,0,1]=4 1411 B8R0.29 C[N+](C)(C)CCC(=O)O Amb24117222 [0,1,0,0,0,0|2,0,0]=3 1412 B8R0.29 C[N+](C)(C)CCC(=O)O Amb33803200 [0,1,0,0,0,0|2,0,0]=3 1413 B8R0.29 C[N+](C)(C)CCC(=O)[O-] Amb26420871 [0,1,0,0,0,0|2,0,1]=4 1414 B8R0.29 C[N+](C)(N)CCC(=O)O Amb27878681 [0,1,0,0,0,0|2,0,0]=3 1415 B8R0.29 C[Si](C)(C)CCC(=O)Cl Amb27187901 [0,1,0,0,0,0|2,1,0]=4 1416 B8R0.29 NC(=O)CCS(=O)(=O)Cl Amb27427539 [0,1,0,0,0,0|2,0,1]=4 1417 B8R0.29 NC(=O)COP(=O)(O)O Amb27760380 [0,1,0,0,0,0|3,0,0]=4 1418 B8R0.29 NC(=O)COP(=O)([O-])O Amb33483331 [0,1,0,0,0,0|3,0,0]=4 1419 B8R0.29 NS(=O)(=O)CCC(=O)O Amb6741826 [0,1,0,0,0,0|2,0,0]=3 1420 B8R0.29 NS(=O)(=O)NCC(=O)O Amb6277125 [0,1,0,0,0,0|3,0,0]=4 1421 B8R0.29 O=C(Cl)CCS(=O)(=O)Cl Amb19149215 [0,1,0,0,0,0|2,0,1]=4 1422 B8R0.29 O=C(Cl)CCS(=O)(=O)F Amb32717025 [0,1,0,0,0,0|2,0,1]=4 1423 B8R0.29 O=C(O)CCC(Cl)(Cl)Cl Amb2725076 [0,1,0,0,0,0|2,0,1]=4 1424 B8R0.29 O=C(O)CCC(F)(F)Br Amb10838819 [0,1,0,0,0,0|2,0,1]=4 1425 B8R0.29 O=C(O)CCC(F)(F)Cl Amb27848419 [0,1,0,0,0,0|2,0,1]=4 1426 B8R0.29 O=C(O)CCC(F)(F)F Amb2778697 [0,1,0,0,0,0|2,0,1]=4 1427 B8R0.29 O=C(O)CCP(=O)(O)O Amb2228990 [0,1,0,0,0,0|2,0,0]=3 1428 B8R0.29 O=C(O)CCS(=O)(=O)O Amb17399954 [0,1,0,0,0,0|2,0,0]=3 1429 B8R0.29 O=C(O)CCS(=O)(=O)[O-] Amb28960294 [0,1,0,0,0,0|2,0,0]=3 1430 B8R0.29 O=C(O)COP(=O)(O)O Amb24442945 [0,1,0,0,0,0|3,0,0]=4 1431 B8R0.29 O=C([O-])CC[Si](O)(O)O Amb19893682 [0,1,0,0,0,0|1,1,1]=4 1432 B8R1.3 C=C1CCC(=C)CC1 Amb22227744 [0,0,0,1,0,0|3,0,0]=4 1433 B8R1.3 C=C1CCC(=O)CC1 Amb22229828 [0,0,0,1,0,0|2,0,0]=3 1434 B8R1.3 C=C1CCC(C)OC1 Amb30011003 [0,0,0,1,0,0|2,0,1]=4 1435 B8R1.3 C=C1CCC(O)CC1 Amb27603595 [0,0,0,1,0,0|2,0,1]=4 1436 B8R1.3 CC1=CCC(=O)CC1 Amb17617292 [0,0,0,1,0,0|2,0,0]=3 1437 B8R1.3 CC1=CNC(=O)CO1 Amb27390806 [0,0,0,1,0,0|2,0,1]=4 1438 B8R1.3 CC1=COC(=O)C=C1 Amb27595539 [0,0,0,1,0,0|1,0,2]=4 1439 B8R1.3 CC1=NNC(=O)CC1 Amb2606146 [0,0,0,1,0,0|2,0,0]=3 1440 B8R1.3 CC1=NNC(=O)NC1 Amb3777345 [0,0,0,1,0,0|3,0,0]=4 1441 B8R1.3 CC1C=CC(=O)CC1 Amb24556470 [0,0,0,1,0,0|2,0,1]=4 1442 B8R1.3 CC1CCC(=O)CC1 Amb6608654 [0,0,0,1,0,0|2,0,1]=4 1443 B8R1.3 CC1CCC(=O)CN1 Amb26979747 [0,0,0,1,0,0|2,0,1]=4 1444 B8R1.3 CC1CCC(=O)CN1 Amb32686523 [0,0,0,1,0,0|2,0,1]=4 1445 B8R1.3 CC1CCC(=O)CO1 Amb22491005 [0,0,0,1,0,0|1,0,1]=3 1446 B8R1.3 CC1CCC(=O)CS1 Amb23568547 [0,0,0,1,0,0|1,1,1]=4 1447 B8R1.3 CC1CCC(=O)NC1 Amb13952062 [0,0,0,1,0,0|2,0,1]=4 1448 B8R1.3 CC1CCC(=O)NN1 Amb27443930 [0,0,0,1,0,0|2,0,1]=4 1449 B8R1.3 CC1CCC(=O)OC1 Amb27667524 [0,0,0,1,0,0|1,0,1]=3 1450 B8R1.3 CC1CNC(=O)CO1 Amb22371080 [0,0,0,1,0,0|2,0,1]=4 1451 B8R1.3 CC1OCC(=O)CO1 Amb28316125 [0,0,0,1,0,0|2,0,1]=4 1452 B8R1.3 CN1C=CC(=O)CC1 Amb17593148 [0,0,0,1,0,0|3,0,0]=4 1453 B8R1.3 CN1CCC(=O)CC1 Amb2725656 [0,0,0,1,0,0|3,0,0]=4 1454 B8R1.3 C[C@@H]1C=CC(=O)CC1 Amb28144188 [0,0,0,1,0,0|2,0,1]=4 1455 B8R1.3 C[C@@H]1CCC(=O)CN1 Amb24481509 [0,0,0,1,0,0|2,0,1]=4 1456 B8R1.3 C[C@@H]1CCC(=O)OC1 Amb26004046 [0,0,0,1,0,0|1,0,1]=3 1457 B8R1.3 C[C@@H]1CNC(=O)CO1 Amb27470503 [0,0,0,1,0,0|2,0,1]=4 1458 B8R1.3 C[C@H]1CCC(=O)NC1 Amb27838374 [0,0,0,1,0,0|2,0,1]=4 1459 B8R1.3 C[C@H]1CNC(=O)CO1 Amb24589385 [0,0,0,1,0,0|2,0,1]=4 1460 B8R1.3 NC1CCC(=O)CC1 Amb10067105 [0,0,0,1,0,0|2,0,1]=4 1461 B8R1.3 NC1CCC(=O)CC1 Amb21862513 [0,0,0,1,0,0|2,0,1]=4 1462 B8R1.3 NC1CCC(=O)NC1 Amb13952208 [0,0,0,1,0,0|2,0,1]=4 1463 B8R1.3 NC1CCC(=O)NC1 Amb18833034 [0,0,0,1,0,0|2,0,1]=4 1464 B8R1.3 N[C@@H]1CCC(=O)NC1 Amb2699221 [0,0,0,1,0,0|2,0,1]=4 1465 B8R1.3 N[C@@H]1CCC(=O)NC1 Amb27432343 [0,0,0,1,0,0|2,0,1]=4 1466 B8R1.3 N[C@H]1CCC(=O)NC1 Amb22748949 [0,0,0,1,0,0|2,0,1]=4 1467 B8R1.3 N[C@H]1CCC(=O)NC1 Amb2699220 [0,0,0,1,0,0|2,0,1]=4 1468 B8R1.3 O=C1C=CC(O)CC1 Amb28048996 [0,0,0,1,0,0|1,0,2]=4 1469 B8R1.3 O=C1C=CS(=O)CC1 Amb27948688 [0,0,0,1,0,0|2,0,1]=4 1470 B8R1.3 O=C1CCC(=O)CC1 Amb6471902 [0,0,0,1,0,0|1,0,0]=2 1471 B8R1.3 O=C1CCC(=O)NC1 Amb15692796 [0,0,0,1,0,0|1,0,0]=2 1472 B8R1.3 O=C1CCC(=O)NN1 Amb22365926 [0,0,0,1,0,0|2,0,0]=3 1473 B8R1.3 O=C1CCC(=O)OC1 Amb26404271 [0,0,0,1,0,0|0,0,0]=1 1474 B8R1.3 O=C1CCC(Br)CC1 Amb28342260 [0,0,0,1,0,0|2,0,1]=4 1475 B8R1.3 O=C1CCC(Cl)CC1 Amb26585218 [0,0,0,1,0,0|2,0,1]=4 1476 B8R1.3 O=C1CCC(F)CC1 Amb20671078 [0,0,0,1,0,0|2,0,1]=4 1477 B8R1.3 O=C1CCC(I)CC1 Amb27232393 [0,0,0,1,0,0|2,0,1]=4 1478 B8R1.3 O=C1CCC(O)CC1 Amb2699831 [0,0,0,1,0,0|1,0,1]=3 1479 B8R1.3 O=C1CCC(O)CN1 Amb10066907 [0,0,0,1,0,0|1,0,2]=4 1480 B8R1.3 O=C1CCC(O)CO1 Amb26345105 [0,0,0,1,0,0|0,0,2]=3 1481 B8R1.3 O=C1CCN(Cl)CC1 Amb27430526 [0,0,0,1,0,0|3,0,0]=4 1482 B8R1.3 O=C1CCS(=O)CC1 Amb2612398 [0,0,0,1,0,0|2,0,0]=3 1483 B8R1.3 O=C1CC[C@@H](O)CN1 Amb2698033 [0,0,0,1,0,0|1,0,2]=4 1484 B8R1.3 O=C1CC[C@H](O)CN1 Amb2698032 [0,0,0,1,0,0|1,0,2]=4 1485 B8R1.3 O=C1CNC(=O)C=N1 Amb27838363 [0,0,0,1,0,0|2,0,1]=4 1486 B8R1.3 O=C1CNC(=O)CN1 Amb1011605 [0,0,0,1,0,0|2,0,0]=3 1487 B8R1.3 O=C1CNC(=O)NN1 Amb27655538 [0,0,0,1,0,0|3,0,0]=4 1488 B8R1.3 O=C1COC(=O)CN1 Amb2612815 [0,0,0,1,0,0|1,0,0]=2 1489 B8R1.3 O=C1COC(=O)CO1 Amb2725557 [0,0,0,1,0,0|1,0,0]=2 1490 B8R1.3 O=C1CSC(=O)SC1 Amb28074747 [0,0,0,1,0,0|1,1,0]=3 1491 B8R1.3 O=C1NCC(O)CO1 Amb27210928 [0,0,0,1,0,0|1,0,2]=4 1492 B8R1.3 O=S1CCC(O)CC1 Amb21988465 [0,0,0,1,0,0|2,0,1]=4 1493 B8R1.20 C=C(C)C[C@@H]1O[C@H]1Cl Amb27227484 [0,0,0,1,0,0|2,0,1]=4 1494 B8R1.20 C=C1CC1CC(=O)O Amb25870954 [0,0,0,1,0,0|1,0,0]=2 1495 B8R1.20 C=C1CC1CC(C)=O Amb28326031 [0,0,0,1,0,0|2,0,0]=3 1496 B8R1.20 C=C1CC1CC(N)=O Amb25138537 [0,0,0,1,0,0|2,0,0]=3 1497 B8R1.20 C=C1CC1NC(N)=O Amb27246174 [0,0,0,1,0,0|3,0,0]=4 1498 B8R1.20 CC(=O)CC1CC1C Amb26916692 [0,0,0,1,0,0|2,0,1]=4 1499 B8R1.20 CC(=O)CC1OC1C Amb27767850 [0,0,0,1,0,0|1,0,1]=3 1500 B8R1.20 CC(=O)C[C@H]1C[C@H]1C Amb28121459 [0,0,0,1,0,0|2,0,1]=4 1501 B8R1.20 CC1CC1CC(=O)O Amb25316515 [0,0,0,1,0,0|1,0,1]=3 1502 B8R1.20 C[C@@H]1C[C@H]1CC(=O)O Amb28058267 [0,0,0,1,0,0|1,0,1]=3 1503 B8R1.20 NC1CC1CC(=O)O Amb27201670 [0,0,0,1,0,0|1,0,1]=3 1504 B8R1.20 N[C@@H]1C[C@H]1CC(=O)O Amb27252154 [0,0,0,1,0,0|1,0,1]=3 1505 B8R1.20 O=C(O)CC1CC1O Amb27981662 [0,0,0,1,0,0|0,0,2]=3 1506 B8R1.23 C=C(C)C1CC(=O)N1 Amb27858929 [0,0,0,1,0,0|2,0,0]=3 1507 B8R1.23 C=C(C)[C@@H]1CC(=O)N1 Amb28251769 [0,0,0,1,0,0|2,0,0]=3 1508 B8R1.23 C=C1CC(C(=O)Cl)C1 Amb10071441 [0,0,0,1,0,0|2,0,0]=3 1509 B8R1.23 C=C1CC(C(=O)O)C1 Amb613197 [0,0,0,1,0,0|1,0,0]=2 1510 B8R1.23 C=C1CC(C(C)=O)C1 Amb26547728 [0,0,0,1,0,0|2,0,0]=3 1511 B8R1.23 C=C1CC(C(N)=O)C1 Amb22896664 [0,0,0,1,0,0|2,0,0]=3 1512 B8R1.23 C=C1CN(C(C)=O)C1 Amb35608821 [0,0,0,1,0,0|3,0,0]=4 1513 B8R1.23 C=C1CN(C(N)=O)C1 Amb35642027 [0,0,0,1,0,0|3,0,0]=4 1514 B8R1.23 CC(=O)C1C=C(C)C1 Amb24676939 [0,0,0,1,0,0|2,0,0]=3 1515 B8R1.23 CC(=O)C1CC(=N)C1 Amb27636166 [0,0,0,1,0,0|2,0,0]=3 1516 B8R1.23 CC(=O)C1CC(C)C1 Amb23590280 [0,0,0,1,0,0|2,0,1]=4 1517 B8R1.23 CC(=O)C1CC(N)C1 Amb29880102 [0,0,0,1,0,0|2,0,1]=4 1518 B8R1.23 CC(=O)C1CC(O)C1 Amb25718423 [0,0,0,1,0,0|1,0,1]=3 1519 B8R1.23 CC(=O)N1CC(=O)C1 Amb22896668 [0,0,0,1,0,0|2,0,0]=3 1520 B8R1.23 CC(=O)N1CC(O)C1 Amb17935746 [0,0,0,1,0,0|2,0,1]=4 1521 B8R1.23 CC(=O)[C@H]1C[C@@H](C)C1 Amb28253646 [0,0,0,1,0,0|2,0,1]=4 1522 B8R1.23 CC(C)C1CC(=O)C1 Amb25806486 [0,0,0,1,0,0|2,0,1]=4 1523 B8R1.23 CC(C)C1CC(=O)N1 Amb26450589 [0,0,0,1,0,0|2,0,1]=4 1524 B8R1.23 CC(C)[C@@H]1CC(=O)N1 Amb28363876 [0,0,0,1,0,0|2,0,1]=4 1525 B8R1.23 CC(Cl)C1CC(=O)O1 Amb27878702 [0,0,0,1,0,0|1,0,1]=3 1526 B8R1.23 CC(F)C1CC(=O)C1 Amb34159489 [0,0,0,1,0,0|2,0,1]=4 1527 B8R1.23 CC(O)C1CC(=O)C1 Amb34159488 [0,0,0,1,0,0|1,0,1]=3 1528 B8R1.23 CC1CC(C(=O)O)C1 Amb19515989 [0,0,0,1,0,0|1,0,1]=3 1529 B8R1.23 CC1CC(C(=O)O)N1 Amb27816510 [0,0,0,1,0,0|1,0,1]=3 1530 B8R1.23 CC1CC(C(=O)O)N1 Amb33482923 [0,0,0,1,0,0|1,0,1]=3 1531 B8R1.23 CC1CC(C(N)=O)C1 Amb27954948 [0,0,0,1,0,0|2,0,1]=4 1532 B8R1.23 CN(C)C1CC(=O)C1 Amb34159682 [0,0,0,1,0,0|3,0,0]=4 1533 B8R1.23 CN1CC(C(=O)Cl)C1 Amb35781982 [0,0,0,1,0,0|3,0,0]=4 1534 B8R1.23 CN1CC(C(=O)O)C1 Amb19958116 [0,0,0,1,0,0|2,0,0]=3 1535 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 Amb33483898 [0,0,0,1,0,0|1,0,1]=3 1536 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 Amb33483920 [0,0,0,1,0,0|1,0,1]=3 1537 B8R1.23 C[C@@H]1C[C@H](C(=O)O)N1 Amb33483819 [0,0,0,1,0,0|1,0,1]=3 1538 B8R1.23 C[C@@H]1C[C@H](C(=O)O)N1 Amb33483820 [0,0,0,1,0,0|1,0,1]=3 1539 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 Amb22746374 [0,0,0,1,0,0|1,0,1]=3 1540 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 Amb22746375 [0,0,0,1,0,0|1,0,1]=3 1541 B8R1.23 NC(=O)C1CC(=O)N1 Amb27214249 [0,0,0,1,0,0|2,0,0]=3 1542 B8R1.23 NC(=O)C1CC(Cl)C1 Amb27424316 [0,0,0,1,0,0|2,0,1]=4 1543 B8R1.23 NC(=O)C1CC(F)C1 Amb27946575 [0,0,0,1,0,0|2,0,1]=4 1544 B8R1.23 NC(=O)C1CC(N)C1 Amb20622654 [0,0,0,1,0,0|2,0,1]=4 1545 B8R1.23 NC(=O)C1CC(N)C1 Amb32664988 [0,0,0,1,0,0|2,0,1]=4 1546 B8R1.23 NC(=O)[C@H]1C[C@@H](Cl)C1 Amb27882303 [0,0,0,1,0,0|2,0,1]=4 1547 B8R1.23 NC(=O)[C@H]1C[C@@H](N)C1 Amb22896793 [0,0,0,1,0,0|2,0,1]=4 1548 B8R1.23 NC(=O)[C@H]1C[C@@H](N)C1 Amb32664685 [0,0,0,1,0,0|2,0,1]=4 1549 B8R1.23 NC(=O)[C@H]1C[C@H](Cl)C1 Amb27882281 [0,0,0,1,0,0|2,0,1]=4 1550 B8R1.23 NC(=O)[C@H]1C[C@H](N)C1 Amb22896794 [0,0,0,1,0,0|2,0,1]=4 1551 B8R1.23 NC(=O)[C@H]1C[C@H](N)C1 Amb32668185 [0,0,0,1,0,0|2,0,1]=4 1552 B8R1.23 NC1CC(C(=O)O)C1 Amb10610660 [0,0,0,1,0,0|1,0,1]=3 1553 B8R1.23 NC1CC(C(=O)O)C1 Amb33533143 [0,0,0,1,0,0|1,0,1]=3 1554 B8R1.23 NS(=O)C1CC(=O)C1 Amb32720658 [0,0,0,1,0,0|2,0,0]=3 1555 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 Amb10604131 [0,0,0,1,0,0|1,0,1]=3 1556 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 Amb6893769 [0,0,0,1,0,0|1,0,1]=3 1557 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 Amb19514893 [0,0,0,1,0,0|1,0,1]=3 1558 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 Amb33524058 [0,0,0,1,0,0|1,0,1]=3 1559 B8R1.23 O=C(Cl)C1CC(Cl)C1 Amb24739809 [0,0,0,1,0,0|2,0,1]=4 1560 B8R1.23 O=C(Cl)C1CC(F)C1 Amb28049013 [0,0,0,1,0,0|2,0,1]=4 1561 B8R1.23 O=C(O)C1CC(Br)C1 Amb25889305 [0,0,0,1,0,0|1,0,1]=3 1562 B8R1.23 O=C(O)C1CC(Cl)C1 Amb16233600 [0,0,0,1,0,0|1,0,1]=3 1563 B8R1.23 O=C(O)C1CC(F)C1 Amb20621267 [0,0,0,1,0,0|1,0,1]=3 1564 B8R1.23 O=C(O)C1CC(O)C1 Amb8011535 [0,0,0,1,0,0|0,0,2]=3 1565 B8R1.23 O=C(O)C1CS(=O)C1 Amb26056015 [0,0,0,1,0,0|1,0,0]=2 1566 B8R1.23 O=C(O)[C@H]1C[C@@H](Br)C1 Amb35751665 [0,0,0,1,0,0|1,0,1]=3 1567 B8R1.23 O=C(O)[C@H]1C[C@@H](Cl)C1 Amb28119343 [0,0,0,1,0,0|1,0,1]=3 1568 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 Amb27974528 [0,0,0,1,0,0|1,0,1]=3 1569 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 Amb19516179 [0,0,0,1,0,0|0,0,2]=3 1570 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 Amb24339433 [0,0,0,1,0,0|1,0,1]=3 1571 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 Amb25883786 [0,0,0,1,0,0|1,0,1]=3 1572 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 Amb27883529 [0,0,0,1,0,0|1,0,1]=3 1573 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 Amb19516178 [0,0,0,1,0,0|0,0,2]=3 1574 B8R1.23 O=C1CC(C(=O)Cl)C1 Amb16230813 [0,0,0,1,0,0|1,0,0]=2 1575 B8R1.23 O=C1CC(C(=O)O)C1 Amb33544325 [0,0,0,1,0,0|0,0,0]=1 1576 B8R1.23 O=C1CC(C(=O)O)N1 Amb16232079 [0,0,0,1,0,0|1,0,0]=2 1577 B8R1.23 O=C1CC(C(=O)O)O1 Amb26887454 [0,0,0,1,0,0|1,0,0]=2 1578 B8R1.23 O=C1CC(C(Cl)Cl)O1 Amb27952844 [0,0,0,1,0,0|2,0,1]=4 1579 B8R1.23 O=C1CC(C(F)F)C1 Amb27805522 [0,0,0,1,0,0|2,0,1]=4 1580 B8R1.23 O=C1CC(S(=O)Cl)C1 Amb32720949 [0,0,0,1,0,0|2,0,0]=3 1581 B8R1.23 O=C1CC(S(=O)O)N1 Amb27595618 [0,0,0,1,0,0|2,0,0]=3 1582 B8R1.23 O=C1CN(C(=O)Cl)C1 Amb32864114 [0,0,0,1,0,0|2,0,0]=3 1583 B8R1.23 O=C1C[C@@H](C(=O)O)N1 Amb22367070 [0,0,0,1,0,0|1,0,0]=2 1584 B8R1.23 O=C1C[C@H](C(=O)O)N1 Amb26975061 [0,0,0,1,0,0|1,0,0]=2 1585 B8R1.35 CC(=O)CCC1CC1 Amb25305448 [0,0,0,1,0,0|2,0,1]=4 1586 B8R1.35 CC(=O)CCC1CO1 Amb28388031 [0,0,0,1,0,0|1,0,1]=3 1587 B8R1.35 CC(=O)NCC1CO1 Amb23557281 [0,0,0,1,0,0|2,0,1]=4 1588 B8R1.35 CC(=O)NC[C@@H]1CO1 Amb27871512 [0,0,0,1,0,0|2,0,1]=4 1589 B8R1.35 CC(=O)NC[C@H]1CO1 Amb25068125 [0,0,0,1,0,0|2,0,1]=4 1590 B8R1.35 CC(=O)OCC1CO1 Amb10789133 [0,0,0,1,0,0|2,0,1]=4 1591 B8R1.35 CC(=O)OC[C@@H]1CO1 Amb27391694 [0,0,0,1,0,0|2,0,1]=4 1592 B8R1.35 CS(=O)CCC1CO1 Amb27837563 [0,0,0,1,0,0|2,0,1]=4 1593 B8R1.35 NC(=O)CCC1CC1 Amb28066625 [0,0,0,1,0,0|2,0,1]=4 1594 B8R1.35 NC(=O)CCC1CO1 Amb28252693 [0,0,0,1,0,0|1,0,2]=4 1595 B8R1.35 O=C(Cl)CCC1CC1 Amb25337452 [0,0,0,1,0,0|2,0,1]=4 1596 B8R1.35 O=C(O)CCC1=CC1 Amb28364765 [0,0,0,1,0,0|1,0,0]=2 1597 B8R1.35 O=C(O)CCC1CC1 Amb2686667 [0,0,0,1,0,0|1,0,1]=3 1598 B8R1.35 O=C(O)CCC1CO1 Amb27667995 [0,0,0,1,0,0|0,0,2]=3 1599 B8R1.35 O=C(O)CNC1CC1 Amb7766401 [0,0,0,1,0,0|2,0,1]=4 1600 B8R1.35 O=C(O)CNC1CC1 Amb9677481 [0,0,0,1,0,0|2,0,1]=4 1601 B8R1.35 O=C(O)COC1CC1 Amb27214838 [0,0,0,1,0,0|2,0,1]=4 1602 B8R1.35 O=C(O)CSC1CC1 Amb6760620 [0,0,0,1,0,0|2,0,1]=4 1603 B8R1.51 C=C1CCS(=O)(=O)C1 Amb27483117 [0,0,0,1,0,0|2,0,1]=4 1604 B8R1.51 CC1(C)CCC(=O)C1 Amb19516867 [0,0,0,1,0,0|2,0,1]=4 1605 B8R1.51 CC1(C)CCC(=O)N1 Amb9173662 [0,0,0,1,0,0|2,0,1]=4 1606 B8R1.51 CC1(C)CCC(=O)O1 Amb8631207 [0,0,0,1,0,0|1,0,1]=3 1607 B8R1.51 CC1(C)CNC(=O)O1 Amb16202554 [0,0,0,1,0,0|2,0,1]=4 1608 B8R1.51 CC1(C)COC(=O)O1 Amb24404748 [0,0,0,1,0,0|2,0,1]=4 1609 B8R1.51 CC1(C)NCC(=O)O1 Amb27969182 [0,0,0,1,0,0|2,0,1]=4 1610 B8R1.51 CC1(C)OCC(=O)O1 Amb10601611 [0,0,0,1,0,0|2,0,1]=4 1611 B8R1.51 CC1(F)CCC(=O)O1 Amb27597762 [0,0,0,1,0,0|1,0,1]=3 1612 B8R1.51 CC1(F)COC(=O)O1 Amb27420932 [0,0,0,1,0,0|2,0,1]=4 1613 B8R1.51 CC1(O)CNC(=O)C1 Amb2722777 [0,0,0,1,0,0|2,0,1]=4 1614 B8R1.51 CC1=CS(=O)(=O)CC1 Amb1351742 [0,0,0,1,0,0|2,0,1]=4 1615 B8R1.51 CC1=NS(=O)(=O)CC1 Amb32683302 [0,0,0,1,0,0|2,0,1]=4 1616 B8R1.51 CS1(=O)=NC(=O)CC1 Amb33483218 [0,0,0,1,0,0|2,0,0]=3 1617 B8R1.51 C[C@]1(O)CNC(=O)C1 Amb28253160 [0,0,0,1,0,0|2,0,1]=4 1618 B8R1.51 C[Si]1(C)CCC(=O)C1 Amb29837969 [0,0,0,1,0,0|2,1,0]=4 1619 B8R1.51 O=C1CCC(Cl)(Cl)C1 Amb28141254 [0,0,0,1,0,0|2,0,1]=4 1620 B8R1.51 O=C1CCC(F)(F)C1 Amb21963547 [0,0,0,1,0,0|2,0,1]=4 1621 B8R1.51 O=C1CCS(=O)(=O)C1 Amb2373731 [0,0,0,1,0,0|1,0,1]=3 1622 B8R1.51 O=C1CCS(=O)(=O)N1 Amb25763419 [0,0,0,1,0,0|2,0,1]=4 1623 B8R1.51 O=C1CCS(=O)(=O)O1 Amb17399828 [0,0,0,1,0,0|2,0,0]=3 1624 B8R1.77 CC(=O)C1CC1(C)C Amb22011884 [0,0,0,1,0,0|2,0,1]=4 1625 B8R1.77 CC(=O)C1CC1(C)O Amb27963572 [0,0,0,1,0,0|1,0,1]=3 1626 B8R1.77 CC(=O)C1CC1(Cl)Cl Amb25890324 [0,0,0,1,0,0|2,0,1]=4 1627 B8R1.77 CC(=O)C1CC1(F)F Amb25219948 [0,0,0,1,0,0|2,0,1]=4 1628 B8R1.77 CC1(Br)CC1C(=O)O Amb26021075 [0,0,0,1,0,0|1,0,1]=3 1629 B8R1.77 CC1(C)CC1C(=O)Cl Amb16230811 [0,0,0,1,0,0|2,0,1]=4 1630 B8R1.77 CC1(C)CC1C(=O)O Amb8385610 [0,0,0,1,0,0|1,0,1]=3 1631 B8R1.77 CC1(C)CC1C(N)=O Amb2778846 [0,0,0,1,0,0|2,0,1]=4 1632 B8R1.77 CC1(C)C[C@@H]1C(=O)O Amb8629067 [0,0,0,1,0,0|1,0,1]=3 1633 B8R1.77 CC1(C)C[C@@H]1C(N)=O Amb4166316 [0,0,0,1,0,0|2,0,1]=4 1634 B8R1.77 CC1(C)C[C@H]1C(N)=O Amb10072071 [0,0,0,1,0,0|2,0,1]=4 1635 B8R1.77 CC1(C)OC1C(=O)O Amb24481352 [0,0,0,1,0,0|2,0,1]=4 1636 B8R1.77 C[C@@]1(Br)C[C@@H]1C(=O)O Amb27477854 [0,0,0,1,0,0|1,0,1]=3 1637 B8R1.77 O=C(O)C1CC1(Cl)Cl Amb1106460 [0,0,0,1,0,0|2,0,1]=4 1638 B8R1.77 O=C(O)C1CC1(F)Br Amb25952257 [0,0,0,1,0,0|2,0,1]=4 1639 B8R1.77 O=C(O)C1CC1(F)Cl Amb10841879 [0,0,0,1,0,0|2,0,1]=4 1640 B8R1.77 O=C(O)C1CC1(F)F Amb2691845 [0,0,0,1,0,0|2,0,1]=4 1641 B8R1.77 O=C(O)[C@@H]1CC1(F)F Amb30869365 [0,0,0,1,0,0|2,0,1]=4 1642 B8R1.77 O=C(O)[C@@H]1C[C@@]1(F)Cl Amb28252683 [0,0,0,1,0,0|2,0,1]=4 1643 B8R1.77 O=C(O)[C@H]1CC1(Cl)Cl Amb27444143 [0,0,0,1,0,0|2,0,1]=4 1644 B8R1.77 O=C(O)[C@H]1CC1(F)F Amb33802940 [0,0,0,1,0,0|2,0,1]=4 1645 B6R0.2 C=C(C)CC(=C)C Amb25887934 [0,0,0,0,1,0|3,0,0]=4 1646 B6R0.2 C=C(C)CC(=N)N Amb33199196 [0,0,0,0,1,0|3,0,0]=4 1647 B6R0.2 C=C(C)CC(=O)O Amb6278832 [0,0,0,0,1,0|1,0,0]=2 1648 B6R0.2 C=C(C)CC(C)=O Amb17593075 [0,0,0,0,1,0|2,0,0]=3 1649 B6R0.2 C=C(C)CC(C)O Amb17593083 [0,0,0,0,1,0|2,0,1]=4 1650 B6R0.2 C=C(C)CC(N)=S Amb33199195 [0,0,0,0,1,0|2,1,0]=4 1651 B6R0.2 C=C(C)CN(C)O Amb33199952 [0,0,0,0,1,0|3,0,0]=4 1652 B6R0.2 C=C(C)C[C@@H](C)O Amb25888510 [0,0,0,0,1,0|2,0,1]=4 1653 B6R0.2 C=C(C)C[C@H](C)O Amb27466720 [0,0,0,0,1,0|2,0,1]=4 1654 B6R0.2 C=C(C)C[N+](=O)[O-] Amb33199532 [0,0,0,0,1,0|2,0,1]=4 1655 B6R0.2 C=C(C)OC(C)=O Amb6608981 [0,0,0,0,1,0|3,0,0]=4 1656 B6R0.2 C=C(Cl)CC(=O)O Amb28118668 [0,0,0,0,1,0|1,0,1]=3 1657 B6R0.2 C=C(I)CC(=O)O Amb27598435 [0,0,0,0,1,0|1,0,1]=3 1658 B6R0.2 C=C(N)NC(C)=O Amb27949916 [0,0,0,0,1,0|3,0,0]=4 1659 B6R0.2 CC(=O)C=C(C)C Amb2793052 [0,0,0,0,1,0|2,0,1]=4 1660 B6R0.2 CC(=O)C=C(N)N Amb27788295 [0,0,0,0,1,0|2,0,1]=4 1661 B6R0.2 CC(=O)CC(=O)F Amb28122452 [0,0,0,0,1,0|1,0,0]=2 1662 B6R0.2 CC(=O)CC(=O)O Amb377432 [0,0,0,0,1,0|0,0,0]=1 1663 B6R0.2 CC(=O)CC(=O)[O-] Amb31031013 [0,0,0,0,1,0|0,0,1]=2 1664 B6R0.2 CC(=O)CC(C)=O Amb2716228 [0,0,0,0,1,0|1,0,0]=2 1665 B6R0.2 CC(=O)CC(C)=S Amb28381251 [0,0,0,0,1,0|1,1,0]=3 1666 B6R0.2 CC(=O)CC(C)C Amb4605990 [0,0,0,0,1,0|2,0,1]=4 1667 B6R0.2 CC(=O)CC(C)Cl Amb17593234 [0,0,0,0,1,0|2,0,1]=4 1668 B6R0.2 CC(=O)CC(C)N Amb22587050 [0,0,0,0,1,0|2,0,1]=4 1669 B6R0.2 CC(=O)CC(C)N Amb2583230 [0,0,0,0,1,0|2,0,1]=4 1670 B6R0.2 CC(=O)CC(C)O Amb17593091 [0,0,0,0,1,0|1,0,1]=3 1671 B6R0.2 CC(=O)CC(C)S Amb24600676 [0,0,0,0,1,0|1,1,1]=4 1672 B6R0.2 CC(=O)CC(C)[O-] Amb22053622 [0,0,0,0,1,0|1,0,2]=4 1673 B6R0.2 CC(=O)CC(F)F Amb24669174 [0,0,0,0,1,0|2,0,1]=4 1674 B6R0.2 CC(=O)CC(N)=O Amb6608777 [0,0,0,0,1,0|1,0,0]=2 1675 B6R0.2 CC(=O)CN(C)C Amb9217324 [0,0,0,0,1,0|3,0,0]=4 1676 B6R0.2 CC(=O)C[C@@H](C)N Amb27493422 [0,0,0,0,1,0|2,0,1]=4 1677 B6R0.2 CC(=O)C[C@H](C)N Amb27222720 [0,0,0,0,1,0|2,0,1]=4 1678 B6R0.2 CC(=O)C[N+](=O)[O-] Amb18833135 [0,0,0,0,1,0|1,0,1]=3 1679 B6R0.2 CC(=O)C[PH](=O)O Amb27975190 [0,0,0,0,1,0|1,0,0]=2 1680 B6R0.2 CC(=O)C[S+](C)Cl Amb27835653 [0,0,0,0,1,0|3,0,0]=4 1681 B6R0.2 CC(=O)NC(=N)N Amb2236591 [0,0,0,0,1,0|3,0,0]=4 1682 B6R0.2 CC(=O)NC(=N)N Amb22754056 [0,0,0,0,1,0|3,0,0]=4 1683 B6R0.2 CC(=O)NC(=S)S Amb27464461 [0,0,0,0,1,0|1,2,0]=4 1684 B6R0.2 CC(=O)NC(C)=O Amb4066511 [0,0,0,0,1,0|2,0,0]=3 1685 B6R0.2 CC(=O)NC(C)=S Amb28246616 [0,0,0,0,1,0|2,1,0]=4 1686 B6R0.2 CC(=O)NC(N)=O Amb6891959 [0,0,0,0,1,0|2,0,0]=3 1687 B6R0.2 CC(=O)NC(N)=S Amb10068733 [0,0,0,0,1,0|2,1,0]=4 1688 B6R0.2 CC(=O)OC(C)=O Amb2793035 [0,0,0,0,1,0|2,0,0]=3 1689 B6R0.2 CC(=O)OC(C)O Amb27457187 [0,0,0,0,1,0|2,0,1]=4 1690 B6R0.2 CC(=O)OC(N)=O Amb28283882 [0,0,0,0,1,0|2,0,0]=3 1691 B6R0.2 CC(=O)O[N+](=O)[O-] Amb27188405 [0,0,0,0,1,0|2,0,1]=4 1692 B6R0.2 CC(=O)SC(=O)Cl Amb32679653 [0,0,0,0,1,0|2,0,0]=3 1693 B6R0.2 CC(=O)SC(C)=O Amb4025813 [0,0,0,0,1,0|2,0,0]=3 1694 B6R0.2 CC(=O)SC(N)=S Amb27235614 [0,0,0,0,1,0|2,1,0]=4 1695 B6R0.2 CC(=O)[CH-]C(C)=O Amb34196937 [0,0,0,0,1,0|1,0,1]=3 1696 B6R0.2 CC(=O)[CH-]C(C)=O Amb9787378 [0,0,0,0,1,0|1,0,1]=3 1697 B6R0.2 CC(=O)\C=C(/C)N Amb1149988 [0,0,0,0,1,0|2,0,1]=4 1698 B6R0.2 CC(=O)\C=C(/C)S Amb27658727 [0,0,0,0,1,0|1,1,1]=4 1699 B6R0.2 CC(=O)\C=C(\C)Br Amb27838200 [0,0,0,0,1,0|2,0,1]=4 1700 B6R0.2 CC(=O)\C=C(\C)Cl Amb27196730 [0,0,0,0,1,0|2,0,1]=4 1701 B6R0.2 CC(=O)\C=C(\C)N Amb2720902 [0,0,0,0,1,0|2,0,1]=4 1702 B6R0.2 CC(=O)\C=C(\C)O Amb34915197 [0,0,0,0,1,0|1,0,1]=3 1703 B6R0.2 CC(=O)\C=C(\C)S Amb26910658 [0,0,0,0,1,0|1,1,1]=4 1704 B6R0.2 CC(=O)\C=C(\C)[O-] Amb19959976 [0,0,0,0,1,0|1,0,2]=4 1705 B6R0.2 CC(=O)\C=C(\C)[O-] Amb20239443 [0,0,0,0,1,0|1,0,2]=4 1706 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22045408 [0,0,0,0,1,0|1,0,2]=4 1707 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053071 [0,0,0,0,1,0|1,0,2]=4 1708 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053499 [0,0,0,0,1,0|1,0,2]=4 1709 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053500 [0,0,0,0,1,0|1,0,2]=4 1710 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053502 [0,0,0,0,1,0|1,0,2]=4 1711 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053503 [0,0,0,0,1,0|1,0,2]=4 1712 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053694 [0,0,0,0,1,0|1,0,2]=4 1713 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053940 [0,0,0,0,1,0|1,0,2]=4 1714 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22054020 [0,0,0,0,1,0|1,0,2]=4 1715 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22466635 [0,0,0,0,1,0|1,0,2]=4 1716 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22729908 [0,0,0,0,1,0|1,0,2]=4 1717 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22730050 [0,0,0,0,1,0|1,0,2]=4 1718 B6R0.2 CC(=O)\C=C(\C)[O-] Amb34915499 [0,0,0,0,1,0|1,0,2]=4 1719 B6R0.2 CC(=O)\N=C(/C)N Amb27796085 [0,0,0,0,1,0|3,0,0]=4 1720 B6R0.2 CC(=S)CC(=O)O Amb28067768 [0,0,0,0,1,0|0,1,0]=2 1721 B6R0.2 CC(Br)CC(=O)O Amb8517108 [0,0,0,0,1,0|1,0,1]=3 1722 B6R0.2 CC(C)=CC(=O)Cl Amb2782315 [0,0,0,0,1,0|2,0,1]=4 1723 B6R0.2 CC(C)=CC(=O)O Amb1485519 [0,0,0,0,1,0|1,0,1]=3 1724 B6R0.2 CC(C)=CC(N)=O Amb10561758 [0,0,0,0,1,0|2,0,1]=4 1725 B6R0.2 CC(C)CC(=O)Br Amb26486664 [0,0,0,0,1,0|2,0,1]=4 1726 B6R0.2 CC(C)CC(=O)Cl Amb2792902 [0,0,0,0,1,0|2,0,1]=4 1727 B6R0.2 CC(C)CC(=O)F Amb32667643 [0,0,0,0,1,0|2,0,1]=4 1728 B6R0.2 CC(C)CC(=O)O Amb3939848 [0,0,0,0,1,0|1,0,1]=3 1729 B6R0.2 CC(C)CC(N)=O Amb2722931 [0,0,0,0,1,0|2,0,1]=4 1730 B6R0.2 CC(Cl)CC(=O)Cl Amb28343061 [0,0,0,0,1,0|2,0,1]=4 1731 B6R0.2 CC(Cl)CC(=O)O Amb3940607 [0,0,0,0,1,0|1,0,1]=3 1732 B6R0.2 CC(I)CC(=O)O Amb28398380 [0,0,0,0,1,0|1,0,1]=3 1733 B6R0.2 CC(N)CC(=O)O Amb8379759 [0,0,0,0,1,0|1,0,1]=3 1734 B6R0.2 CC(N)CC(=O)S Amb27413857 [0,0,0,0,1,0|1,1,1]=4 1735 B6R0.2 CC(N)CC(N)=O Amb18281237 [0,0,0,0,1,0|2,0,1]=4 1736 B6R0.2 CC(N)CC(N)=O Amb33532770 [0,0,0,0,1,0|2,0,1]=4 1737 B6R0.2 CC(O)CC(=O)O Amb8513187 [0,0,0,0,1,0|0,0,2]=3 1738 B6R0.2 CC(O)CC(=O)[O-] Amb2725536 [0,0,0,0,1,0|0,0,3]=4 1739 B6R0.2 CC(O)CC(N)=O Amb26394320 [0,0,0,0,1,0|1,0,2]=4 1740 B6R0.2 CC(O)CS(C)=O Amb28137235 [0,0,0,0,1,0|2,0,1]=4 1741 B6R0.2 CC(S)CC(=O)O Amb33538201 [0,0,0,0,1,0|0,1,1]=3 1742 B6R0.2 CN(C)CC(=O)Cl Amb22732502 [0,0,0,0,1,0|3,0,0]=4 1743 B6R0.2 CN(C)CC(=O)Cl Amb3939582 [0,0,0,0,1,0|3,0,0]=4 1744 B6R0.2 CN(C)CC(=O)O Amb3319051 [0,0,0,0,1,0|2,0,0]=3 1745 B6R0.2 CN(C)CC(=O)O Amb3940366 [0,0,0,0,1,0|2,0,0]=3 1746 B6R0.2 CN(C)CC(N)=O Amb17231806 [0,0,0,0,1,0|3,0,0]=4 1747 B6R0.2 CN(C)CC(N)=O Amb33321491 [0,0,0,0,1,0|3,0,0]=4 1748 B6R0.2 CN(N)CC(=O)O Amb23592296 [0,0,0,0,1,0|2,0,0]=3 1749 B6R0.2 CN(O)CC(=O)O Amb29838290 [0,0,0,0,1,0|1,0,1]=3 1750 B6R0.2 CS(=O)CC(N)=O Amb24394100 [0,0,0,0,1,0|2,0,0]=3 1751 B6R0.2 C[C@@H](Br)CC(=O)O Amb27637683 [0,0,0,0,1,0|1,0,1]=3 1752 B6R0.2 C[C@@H](Cl)CC(=O)O Amb27851223 [0,0,0,0,1,0|1,0,1]=3 1753 B6R0.2 C[C@@H](N)CC(=O)O Amb16184009 [0,0,0,0,1,0|1,0,1]=3 1754 B6R0.2 C[C@@H](N)CC(=O)O Amb8397201 [0,0,0,0,1,0|1,0,1]=3 1755 B6R0.2 C[C@@H](O)CC(=O)O Amb4166322 [0,0,0,0,1,0|0,0,2]=3 1756 B6R0.2 C[C@@H](O)CC(=O)[O-] Amb8470924 [0,0,0,0,1,0|0,0,3]=4 1757 B6R0.2 C[C@@H](O)CS(C)=O Amb27457390 [0,0,0,0,1,0|2,0,1]=4 1758 B6R0.2 C[C@H](Br)CC(=O)O Amb24432019 [0,0,0,0,1,0|1,0,1]=3 1759 B6R0.2 C[C@H](N)CC(=O)O Amb16184012 [0,0,0,0,1,0|1,0,1]=3 1760 B6R0.2 C[C@H](N)CC(=O)O Amb8397200 [0,0,0,0,1,0|1,0,1]=3 1761 B6R0.2 C[C@H](N)CC(N)=O Amb27873963 [0,0,0,0,1,0|2,0,1]=4 1762 B6R0.2 C[C@H](O)CC(=O)O Amb22232025 [0,0,0,0,1,0|0,0,2]=3 1763 B6R0.2 C[NH+](C)CC(=O)Cl Amb24113885 [0,0,0,0,1,0|3,0,0]=4 1764 B6R0.2 C[NH+](C)CC(=O)O Amb24113881 [0,0,0,0,1,0|2,0,0]=3 1765 B6R0.2 C[NH+](C)CC(=O)O Amb4007789 [0,0,0,0,1,0|2,0,0]=3 1766 B6R0.2 C[S+](C)CC(=O)[O-] Amb26065720 [0,0,0,0,1,0|2,0,1]=4 1767 B6R0.2 C\C(Cl)=C/C(=O)O Amb18123483 [0,0,0,0,1,0|1,0,1]=3 1768 B6R0.2 C\C(Cl)=C\C(=O)O Amb28050474 [0,0,0,0,1,0|1,0,1]=3 1769 B6R0.2 C\C(F)=C/C(=O)O Amb27185433 [0,0,0,0,1,0|1,0,1]=3 1770 B6R0.2 C\C(I)=C/C(=O)O Amb33329900 [0,0,0,0,1,0|1,0,1]=3 1771 B6R0.2 C\C(I)=C\C(=O)O Amb24741877 [0,0,0,0,1,0|1,0,1]=3 1772 B6R0.2 C\C(I)=C\C(N)=O Amb28058366 [0,0,0,0,1,0|2,0,1]=4 1773 B6R0.2 C\C(N)=C/C(=O)O Amb27421114 [0,0,0,0,1,0|1,0,1]=3 1774 B6R0.2 C\C(N)=C/C(N)=O Amb26600164 [0,0,0,0,1,0|2,0,1]=4 1775 B6R0.2 C\C(S)=C\C(N)=O Amb27596108 [0,0,0,0,1,0|1,1,1]=4 1776 B6R0.2 N=C(N)CC(N)=O Amb1981332 [0,0,0,0,1,0|3,0,0]=4 1777 B6R0.2 N=C(N)CC(N)=O Amb5719691 [0,0,0,0,1,0|3,0,0]=4 1778 B6R0.2 N=C([NH3+])CC(N)=O Amb2439350 [0,0,0,0,1,0|3,0,0]=4 1779 B6R0.2 NC(=O)CC(=O)O Amb4034884 [0,0,0,0,1,0|1,0,0]=2 1780 B6R0.2 NC(=O)CC(=O)[O-] Amb22263088 [0,0,0,0,1,0|1,0,1]=3 1781 B6R0.2 NC(=O)CC(N)=O Amb1971463 [0,0,0,0,1,0|2,0,0]=3 1782 B6R0.2 NC(=O)CC(N)=S Amb1155422 [0,0,0,0,1,0|2,1,0]=4 1783 B6R0.2 NC(=O)C[N+](=O)[O-] Amb1101925 [0,0,0,0,1,0|2,0,1]=4 1784 B6R0.2 NC(=O)NC(N)=O Amb6346179 [0,0,0,0,1,0|3,0,0]=4 1785 B6R0.2 NC(=S)CC(=O)O Amb17465742 [0,0,0,0,1,0|1,1,0]=3 1786 B6R0.2 NC(N)=CC(=O)O Amb27618962 [0,0,0,0,1,0|2,0,1]=4 1787 B6R0.2 NC(S)CC(=O)O Amb27391244 [0,0,0,0,1,0|1,1,1]=4 1788 B6R0.2 O=C(Cl)CC(=O)Cl Amb3940237 [0,0,0,0,1,0|2,0,0]=3 1789 B6R0.2 O=C(O)C=C(Br)Br Amb24435008 [0,0,0,0,1,0|2,0,1]=4 1790 B6R0.2 O=C(O)C=C(Cl)Cl Amb33544334 [0,0,0,0,1,0|2,0,1]=4 1791 B6R0.2 O=C(O)C=C(F)F Amb24116995 [0,0,0,0,1,0|2,0,1]=4 1792 B6R0.2 O=C(O)CB(O)O Amb24053058 [0,0,0,0,1,0|2,0,1]=4 1793 B6R0.2 O=C(O)CC(=O)Cl Amb26946943 [0,0,0,0,1,0|1,0,0]=2 1794 B6R0.2 O=C(O)CC(=O)O Amb2689065 [0,0,0,0,1,0|1,0,0]=2 1795 B6R0.2 O=C(O)CC(Cl)Cl Amb27815068 [0,0,0,0,1,0|2,0,1]=4 1796 B6R0.2 O=C(O)CC(F)F Amb22001551 [0,0,0,0,1,0|2,0,1]=4 1797 B6R0.2 O=C(O)CS(=O)O Amb27788997 [0,0,0,0,1,0|2,0,0]=3 1798 B6R0.2 O=C(O)\C=C(\Cl)Br Amb27955839 [0,0,0,0,1,0|2,0,1]=4 1799 B6R0.2 O=C([O-])CC(=O)[O-] Amb8516686 [0,0,0,0,1,0|1,0,1]=3 1800 B6R0.2 O=C([O-])CC(=O)[O-] Amb8516816 [0,0,0,0,1,0|1,0,1]=3 1801 B6R0.2 O=C([O-])C[N+](=O)[O-] Amb28990930 [0,0,0,0,1,0|2,0,1]=4 1802 B8R0.28 C=C(C)CCC=C(C)C Amb27424700 [0,0,0,0,0,1|3,0,0]=4 1803 B8R0.28 C=C(C)CCCC(=C)C Amb22228385 [0,0,0,0,0,1|3,0,0]=4 1804 B8R0.28 C=C(C)CCCC(=O)O Amb2699907 [0,0,0,0,0,1|1,0,0]=2 1805 B8R0.28 C=C(C)CCCC(C)=O Amb17739959 [0,0,0,0,0,1|2,0,0]=3 1806 B8R0.28 C=C(C)CCCC(N)=O Amb27837767 [0,0,0,0,0,1|2,0,0]=3 1807 B8R0.28 C=C(C)CCNC(C)=O Amb27780923 [0,0,0,0,0,1|2,0,0]=3 1808 B8R0.28 C=C(C)CCOC(C)=O Amb4035107 [0,0,0,0,0,1|2,0,0]=3 1809 B8R0.28 C=C(C)CNCC(=C)Br Amb28422635 [0,0,0,0,0,1|3,0,0]=4 1810 B8R0.28 C=C(C)CNCC(=C)C Amb4032914 [0,0,0,0,0,1|3,0,0]=4 1811 B8R0.28 C=C(C)CNC[C@H](C)O Amb27852384 [0,0,0,0,0,1|2,0,1]=4 1812 B8R0.28 C=C(C)COCC(=C)Br Amb4014502 [0,0,0,0,0,1|3,0,0]=4 1813 B8R0.28 C=C(C)CONC(C)=O Amb27813952 [0,0,0,0,0,1|3,0,0]=4 1814 B8R0.28 C=C(C)CONC(N)=O Amb27956555 [0,0,0,0,0,1|3,0,0]=4 1815 B8R0.28 C=C(C)CSCC(=C)Br Amb27956557 [0,0,0,0,0,1|3,0,0]=4 1816 B8R0.28 C=C(C)CSCC(=C)Cl Amb28384946 [0,0,0,0,0,1|3,0,0]=4 1817 B8R0.28 C=C(C)CSCC(=O)O Amb6280447 [0,0,0,0,0,1|1,0,0]=2 1818 B8R0.28 C=C(C)CSCC(C)=O Amb27877304 [0,0,0,0,0,1|2,0,0]=3 1819 B8R0.28 C=C(C)C[Ru]CC(=C)C Amb22002190 [0,0,0,0,0,1|3,0,0]=4 1820 B8R0.28 C=C(C)C\C=C\C(=O)O Amb27602149 [0,0,0,0,0,1|1,0,1]=3 1821 B8R0.28 C=C(C)\C=C\CC(=O)O Amb18642409 [0,0,0,0,0,1|1,0,1]=3 1822 B8R0.28 C=C(C)\C=C\CC(C)=O Amb24744667 [0,0,0,0,0,1|2,0,1]=4 1823 B8R0.28 C=C(Cl)CCCC(N)=O Amb27253854 [0,0,0,0,0,1|2,0,1]=4 1824 B8R0.28 C=C(Cl)CSCC(C)=O Amb28205790 [0,0,0,0,0,1|2,0,0]=3 1825 B8R0.28 C=C(F)CCCC(=O)O Amb22641515 [0,0,0,0,0,1|1,0,1]=3 1826 B8R0.28 CC(=N)NCCC(N)=O Amb28049611 [0,0,0,0,0,1|2,0,0]=3 1827 B8R0.28 CC(=O)CC=C=C(C)C Amb17593280 [0,0,0,0,0,1|2,0,1]=4 1828 B8R0.28 CC(=O)CCC=C(C)C Amb533052 [0,0,0,0,0,1|2,0,0]=3 1829 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [0,0,0,0,0,1|0,0,0]=1 1830 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [0,0,0,0,0,1|1,0,0]=2 1831 B8R0.28 CC(=O)CCCC(C)C Amb33532191 [0,0,0,0,0,1|2,0,1]=4 1832 B8R0.28 CC(=O)CCCC(C)N Amb27483216 [0,0,0,0,0,1|2,0,1]=4 1833 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [0,0,0,0,0,1|1,0,0]=2 1834 B8R0.28 CC(=O)CCCN(C)C Amb2778944 [0,0,0,0,0,1|3,0,0]=4 1835 B8R0.28 CC(=O)CCC[N+](=O)[O-] Amb18203187 [0,0,0,0,0,1|1,0,1]=3 1836 B8R0.28 CC(=O)CCNC(C)=O Amb17102868 [0,0,0,0,0,1|1,0,0]=2 1837 B8R0.28 CC(=O)CCNC(C)C Amb26463473 [0,0,0,0,0,1|2,0,1]=4 1838 B8R0.28 CC(=O)CCNN(C)C Amb27838684 [0,0,0,0,0,1|3,0,0]=4 1839 B8R0.28 CC(=O)CCOC(C)=O Amb4605918 [0,0,0,0,0,1|1,0,0]=2 1840 B8R0.28 CC(=O)CCOC(C)C Amb22229804 [0,0,0,0,0,1|2,0,1]=4 1841 B8R0.28 CC(=O)CC\C=C(\C)Cl Amb17593664 [0,0,0,0,0,1|2,0,0]=3 1842 B8R0.28 CC(=O)CNCC(C)C Amb25067661 [0,0,0,0,0,1|2,0,1]=4 1843 B8R0.28 CC(=O)CNCC(C)C Amb32663767 [0,0,0,0,0,1|2,0,1]=4 1844 B8R0.28 CC(=O)CNCC(C)O Amb24589662 [0,0,0,0,0,1|1,0,1]=3 1845 B8R0.28 CC(=O)CSCC(=O)O Amb26415891 [0,0,0,0,0,1|0,0,0]=1 1846 B8R0.28 CC(=O)CSCC(=O)[O-] Amb20622616 [0,0,0,0,0,1|0,0,1]=2 1847 B8R0.28 CC(=O)CSCC(C)C Amb9269384 [0,0,0,0,0,1|2,0,1]=4 1848 B8R0.28 CC(=O)CSCC(C)F Amb28135753 [0,0,0,0,0,1|2,0,1]=4 1849 B8R0.28 CC(=O)CSCC(C)O Amb27215204 [0,0,0,0,0,1|1,0,1]=3 1850 B8R0.28 CC(=O)CSCC(F)F Amb27956449 [0,0,0,0,0,1|2,0,1]=4 1851 B8R0.28 CC(=O)CSCC(N)=O Amb27411260 [0,0,0,0,0,1|1,0,0]=2 1852 B8R0.28 CC(=O)C\C=C\C(C)O Amb26528351 [0,0,0,0,0,1|1,0,2]=4 1853 B8R0.28 CC(=O)NCC=C(C)C Amb26606550 [0,0,0,0,0,1|2,0,1]=4 1854 B8R0.28 CC(=O)NCC=C(Cl)Cl Amb30011085 [0,0,0,0,0,1|2,0,1]=4 1855 B8R0.28 CC(=O)NCCC(=O)O Amb1104704 [0,0,0,0,0,1|0,0,0]=1 1856 B8R0.28 CC(=O)NCCC(C)Cl Amb27952422 [0,0,0,0,0,1|2,0,1]=4 1857 B8R0.28 CC(=O)NCCC(N)=O Amb8997734 [0,0,0,0,0,1|1,0,0]=2 1858 B8R0.28 CC(=O)NCCC(N)=S Amb17232012 [0,0,0,0,0,1|1,1,0]=3 1859 B8R0.28 CC(=O)NCCS(=O)O Amb27638053 [0,0,0,0,0,1|1,0,0]=2 1860 B8R0.28 CC(=O)NCNC(C)=O Amb8485453 [0,0,0,0,0,1|2,0,0]=3 1861 B8R0.28 CC(=O)NCOC(C)=O Amb27810126 [0,0,0,0,0,1|2,0,0]=3 1862 B8R0.28 CC(=O)NOCC(=O)O Amb25921073 [0,0,0,0,0,1|1,0,0]=2 1863 B8R0.28 CC(=O)OCC=C(C)C Amb22002433 [0,0,0,0,0,1|2,0,1]=4 1864 B8R0.28 CC(=O)OCC=C(F)F Amb16186005 [0,0,0,0,0,1|2,0,1]=4 1865 B8R0.28 CC(=O)OCCC(=O)O Amb18642866 [0,0,0,0,0,1|0,0,0]=1 1866 B8R0.28 CC(=O)OCCC(C)C Amb2793054 [0,0,0,0,0,1|2,0,1]=4 1867 B8R0.28 CC(=O)OCCC(C)O Amb26357497 [0,0,0,0,0,1|1,0,1]=3 1868 B8R0.28 CC(=O)OCCC(C)S Amb25077156 [0,0,0,0,0,1|1,1,1]=4 1869 B8R0.28 CC(=O)OCCC(N)=O Amb25921090 [0,0,0,0,0,1|1,0,0]=2 1870 B8R0.28 CC(=O)OCCN(C)C Amb8516593 [0,0,0,0,0,1|3,0,0]=4 1871 B8R0.28 CC(=O)OCCS(=O)Cl Amb32720402 [0,0,0,0,0,1|2,0,0]=3 1872 B8R0.28 CC(=O)OCCS(=O)[O-] Amb32754519 [0,0,0,0,0,1|1,0,1]=3 1873 B8R0.28 CC(=O)OCCS(N)=O Amb32720403 [0,0,0,0,0,1|2,0,0]=3 1874 B8R0.28 CC(=O)OCC[C@H](C)O Amb28192682 [0,0,0,0,0,1|1,0,1]=3 1875 B8R0.28 CC(=O)OCOC(=O)Cl Amb26908239 [0,0,0,0,0,1|2,0,0]=3 1876 B8R0.28 CC(=O)OCOC(C)=O Amb9787622 [0,0,0,0,0,1|2,0,0]=3 1877 B8R0.28 CC(=O)O[Cd]OC(C)=O Amb22350451 [0,0,0,0,0,1|3,0,0]=4 1878 B8R0.28 CC(=O)O[Cu]OC(C)=O Amb22052496 [0,0,0,0,0,1|3,0,0]=4 1879 B8R0.28 CC(=O)O[Cu]OC(C)=O Amb22338197 [0,0,0,0,0,1|3,0,0]=4 1880 B8R0.28 CC(=O)O[Fe]OC(C)=O Amb22338217 [0,0,0,0,0,1|3,0,0]=4 1881 B8R0.28 CC(=O)O[Ni]OC(C)=O Amb22051702 [0,0,0,0,0,1|3,0,0]=4 1882 B8R0.28 CC(=O)O[Pd]OC(C)=O Amb13890307 [0,0,0,0,0,1|3,0,0]=4 1883 B8R0.28 CC(=O)O[Sr]OC(C)=O Amb22348499 [0,0,0,0,0,1|3,0,0]=4 1884 B8R0.28 CC(=O)O[Zn]OC(C)=O Amb22351898 [0,0,0,0,0,1|3,0,0]=4 1885 B8R0.28 CC(=O)O\N=C/C(=O)O Amb27593741 [0,0,0,0,0,1|1,0,1]=3 1886 B8R0.28 CC(=O)SCC=C(C)C Amb17617246 [0,0,0,0,0,1|2,0,1]=4 1887 B8R0.28 CC(=O)SCCC(=O)Cl Amb26637117 [0,0,0,0,0,1|1,0,0]=2 1888 B8R0.28 CC(=O)SCCC(=O)O Amb17607685 [0,0,0,0,0,1|0,0,0]=1 1889 B8R0.28 CC(=O)SCCN(C)C Amb27607143 [0,0,0,0,0,1|3,0,0]=4 1890 B8R0.28 CC(=O)S\C=C\C(=O)O Amb26969288 [0,0,0,0,0,1|0,0,2]=3 1891 B8R0.28 CC(=O)\C=C/C[N+](=O)[O-] Amb28322797 [0,0,0,0,0,1|1,0,2]=4 1892 B8R0.28 CC(=O)\C=C/OC(C)=O Amb28364680 [0,0,0,0,0,1|1,0,2]=4 1893 B8R0.28 CC(=O)\C=C\CC(=O)O Amb26900226 [0,0,0,0,0,1|0,0,1]=2 1894 B8R0.28 CC(=O)\C=C\C[N+](=O)[O-] Amb27444805 [0,0,0,0,0,1|1,0,2]=4 1895 B8R0.28 CC(=O)\C=N\OC(C)=O Amb27788385 [0,0,0,0,0,1|2,0,1]=4 1896 B8R0.28 CC(=O)\N=C\NC(C)=O Amb24541273 [0,0,0,0,0,1|2,0,1]=4 1897 B8R0.28 CC(C)=CCCC(=O)O Amb10601609 [0,0,0,0,0,1|1,0,0]=2 1898 B8R0.28 CC(C)=CCC[C@@H](C)O Amb22049561 [0,0,0,0,0,1|2,0,1]=4 1899 B8R0.28 CC(C)=CCC[C@H](C)O Amb22049564 [0,0,0,0,0,1|2,0,1]=4 1900 B8R0.28 CC(C)=C\C=C\C(=O)O Amb18642414 [0,0,0,0,0,1|1,0,2]=4 1901 B8R0.28 CC(C)=NNCC(=O)O Amb27958222 [0,0,0,0,0,1|2,0,0]=3 1902 B8R0.28 CC(C)=NOCC(=O)Cl Amb27466545 [0,0,0,0,0,1|3,0,0]=4 1903 B8R0.28 CC(C)=NOCC(N)=O Amb27613522 [0,0,0,0,0,1|3,0,0]=4 1904 B8R0.28 CC(C)C#CCC(=O)O Amb26516061 [0,0,0,0,0,1|1,0,2]=4 1905 B8R0.28 CC(C)CC#CC(=O)O Amb28398479 [0,0,0,0,0,1|1,0,2]=4 1906 B8R0.28 CC(C)CCCC(=O)O Amb3941255 [0,0,0,0,0,1|1,0,1]=3 1907 B8R0.28 CC(C)CCNC(N)=O Amb1104833 [0,0,0,0,0,1|2,0,1]=4 1908 B8R0.28 CC(C)CCOC(=O)Cl Amb27463593 [0,0,0,0,0,1|2,0,1]=4 1909 B8R0.28 CC(C)CCOC(N)=O Amb25299964 [0,0,0,0,0,1|2,0,1]=4 1910 B8R0.28 CC(C)CNCC(=O)O Amb19373106 [0,0,0,0,0,1|1,0,1]=3 1911 B8R0.28 CC(C)CNCC(=O)O Amb7766417 [0,0,0,0,0,1|1,0,1]=3 1912 B8R0.28 CC(C)CNCC(N)=O Amb1118171 [0,0,0,0,0,1|2,0,1]=4 1913 B8R0.28 CC(C)CNCC(N)=O Amb6892556 [0,0,0,0,0,1|2,0,1]=4 1914 B8R0.28 CC(C)COCC(=O)O Amb2608476 [0,0,0,0,0,1|1,0,1]=3 1915 B8R0.28 CC(C)CSCC(=O)O Amb1134811 [0,0,0,0,0,1|1,0,1]=3 1916 B8R0.28 CC(C)C\C=C\C(=O)O Amb8392407 [0,0,0,0,0,1|1,0,2]=4 1917 B8R0.28 CC(C)NCCC(=O)O Amb1106349 [0,0,0,0,0,1|1,0,1]=3 1918 B8R0.28 CC(C)NCCC(=O)O Amb528114 [0,0,0,0,0,1|1,0,1]=3 1919 B8R0.28 CC(C)NCCC(N)=O Amb8841611 [0,0,0,0,0,1|2,0,1]=4 1920 B8R0.28 CC(C)NCC[PH](=O)O Amb28056178 [0,0,0,0,0,1|2,0,1]=4 1921 B8R0.28 CC(C)OCCC(=O)Cl Amb24423336 [0,0,0,0,0,1|2,0,1]=4 1922 B8R0.28 CC(C)OCCC(=O)O Amb6260272 [0,0,0,0,0,1|1,0,1]=3 1923 B8R0.28 CC(C)SCCC(=O)O Amb6267279 [0,0,0,0,0,1|1,0,1]=3 1924 B8R0.28 CC(C)\C=C\CC(=O)O Amb17844074 [0,0,0,0,0,1|1,0,2]=4 1925 B8R0.28 CC(Cl)CCCC(=O)Cl Amb26491427 [0,0,0,0,0,1|2,0,1]=4 1926 B8R0.28 CC(Cl)CCCC(N)=O Amb27869185 [0,0,0,0,0,1|2,0,1]=4 1927 B8R0.28 CC(F)CCCC(=O)O Amb28144031 [0,0,0,0,0,1|1,0,1]=3 1928 B8R0.28 CC(N)CCCC(=O)O Amb22059416 [0,0,0,0,0,1|1,0,1]=3 1929 B8R0.28 CC(N)CCCC(=O)O Amb28934990 [0,0,0,0,0,1|1,0,1]=3 1930 B8R0.28 CC(N)CSCC(=O)O Amb27221487 [0,0,0,0,0,1|1,0,1]=3 1931 B8R0.28 CC(N)C\C=C\C(=O)O Amb27863954 [0,0,0,0,0,1|1,0,2]=4 1932 B8R0.28 CC(O)CCCC(=O)O Amb2371277 [0,0,0,0,0,1|0,0,2]=3 1933 B8R0.28 CC(O)CCCC(=O)[O-] Amb17615415 [0,0,0,0,0,1|0,0,3]=4 1934 B8R0.28 CC(O)CNCC(=O)O Amb9359979 [0,0,0,0,0,1|0,0,2]=3 1935 B8R0.28 CC(O)CNCC(=O)[O-] Amb35789181 [0,0,0,0,0,1|0,0,3]=4 1936 B8R0.28 CC(O)COCC(=O)O Amb27968624 [0,0,0,0,0,1|0,0,2]=3 1937 B8R0.28 CC(O)COCC(N)=O Amb27216633 [0,0,0,0,0,1|1,0,2]=4 1938 B8R0.28 CC(O)CSCC(=O)O Amb19005278 [0,0,0,0,0,1|0,0,2]=3 1939 B8R0.28 CN(C)CCCC(=O)Cl Amb27450969 [0,0,0,0,0,1|3,0,0]=4 1940 B8R0.28 CN(C)CCCC(=O)Cl Amb32409435 [0,0,0,0,0,1|3,0,0]=4 1941 B8R0.28 CN(C)CCCC(=O)O Amb2716225 [0,0,0,0,0,1|2,0,0]=3 1942 B8R0.28 CN(C)CCCC(=O)O Amb9176338 [0,0,0,0,0,1|2,0,0]=3 1943 B8R0.28 CN(C)CCCC(N)=O Amb25887462 [0,0,0,0,0,1|3,0,0]=4 1944 B8R0.28 CN(C)CCNC(N)=O Amb1129425 [0,0,0,0,0,1|3,0,0]=4 1945 B8R0.28 CN(C)CCNC(N)=O Amb33552131 [0,0,0,0,0,1|3,0,0]=4 1946 B8R0.28 CN(C)CCNC(O)=S Amb25106929 [0,0,0,0,0,1|2,1,0]=4 1947 B8R0.28 CN(C)CCOC(N)=O Amb28423955 [0,0,0,0,0,1|3,0,0]=4 1948 B8R0.28 CN(C)C\C=C/C(=O)O Amb26347338 [0,0,0,0,0,1|2,0,1]=4 1949 B8R0.28 CN(C)C\C=C\C(=O)O Amb15695416 [0,0,0,0,0,1|2,0,1]=4 1950 B8R0.28 CN(C)C\C=C\C(=O)O Amb33716600 [0,0,0,0,0,1|2,0,1]=4 1951 B8R0.28 CN(C)C\C=C\C(=O)O Amb8395946 [0,0,0,0,0,1|2,0,1]=4 1952 B8R0.28 CN(C)NCCC(N)=O Amb28072486 [0,0,0,0,0,1|3,0,0]=4 1953 B8R0.28 CS(=O)CCNC(=O)Cl Amb35633190 [0,0,0,0,0,1|2,0,0]=3 1954 B8R0.28 CS(=O)CCNC(N)=S Amb28381773 [0,0,0,0,0,1|2,1,0]=4 1955 B8R0.28 CS(=O)CCSC(=N)N Amb28056198 [0,0,0,0,0,1|3,0,0]=4 1956 B8R0.28 CS(=O)NOCC(N)=O Amb28075566 [0,0,0,0,0,1|3,0,0]=4 1957 B8R0.28 C[C@H](N)C\C=C\C(=O)O Amb27784845 [0,0,0,0,0,1|1,0,2]=4 1958 B8R0.28 C[C@H](N)\C=C\CC(=O)O Amb28044026 [0,0,0,0,0,1|1,0,2]=4 1959 B8R0.28 C[C@H](O)CNCC(N)=O Amb27879357 [0,0,0,0,0,1|1,0,2]=4 1960 B8R0.28 C[C@H](O)C\C=C\C(=O)O Amb27812394 [0,0,0,0,0,1|0,0,3]=4 1961 B8R0.28 C[NH+](C)CCCC(=O)O Amb9786711 [0,0,0,0,0,1|2,0,0]=3 1962 B8R0.28 C\C(Cl)=C/CNC(N)=O Amb27252067 [0,0,0,0,0,1|2,0,1]=4 1963 B8R0.28 C\C(Cl)=C\CCC(C)O Amb27653025 [0,0,0,0,0,1|2,0,1]=4 1964 B8R0.28 N=C(N)CSCC(=O)O Amb28040821 [0,0,0,0,0,1|2,0,0]=3 1965 B8R0.28 N=C(N)CSCC(N)=O Amb23313355 [0,0,0,0,0,1|3,0,0]=4 1966 B8R0.28 N=C(N)NCCC(=O)O Amb3940732 [0,0,0,0,0,1|2,0,0]=3 1967 B8R0.28 N=C(N)NCCC(N)=O Amb27215299 [0,0,0,0,0,1|3,0,0]=4 1968 B8R0.28 N=C(N)NCCS(=O)O Amb25103204 [0,0,0,0,0,1|3,0,0]=4 1969 B8R0.28 N=C(N)NNCC(=O)O Amb27394477 [0,0,0,0,0,1|3,0,0]=4 1970 B8R0.28 N=C(N)NOCC(=O)O Amb27165927 [0,0,0,0,0,1|3,0,0]=4 1971 B8R0.28 N=C(N)SCCC(=O)O Amb1043190 [0,0,0,0,0,1|2,0,0]=3 1972 B8R0.28 NC(=O)CCCC(=O)O Amb5718388 [0,0,0,0,0,1|1,0,0]=2 1973 B8R0.28 NC(=O)CCC[N+](=O)[O-] Amb22432425 [0,0,0,0,0,1|2,0,1]=4 1974 B8R0.28 NC(=O)CCSC(N)=O Amb28045967 [0,0,0,0,0,1|2,0,0]=3 1975 B8R0.28 NC(=O)CNCC(N)=O Amb6714597 [0,0,0,0,0,1|2,0,0]=3 1976 B8R0.28 NC(=O)COCC(=O)O Amb3429648 [0,0,0,0,0,1|1,0,0]=2 1977 B8R0.28 NC(=O)COCC(N)=O Amb4442013 [0,0,0,0,0,1|2,0,0]=3 1978 B8R0.28 NC(=O)CONC(N)=O Amb27172154 [0,0,0,0,0,1|3,0,0]=4 1979 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [0,0,0,0,0,1|1,0,0]=2 1980 B8R0.28 NC(=O)CSCC(N)=O Amb6374270 [0,0,0,0,0,1|2,0,0]=3 1981 B8R0.28 NC(=O)NCCC(=O)O Amb6567400 [0,0,0,0,0,1|1,0,0]=2 1982 B8R0.28 NC(=O)NOCC(=O)O Amb28285979 [0,0,0,0,0,1|2,0,0]=3 1983 B8R0.28 NC(=O)N\C=C/C(=O)O Amb28437236 [0,0,0,0,0,1|1,0,2]=4 1984 B8R0.28 NC(=O)N\C=C\C(=O)O Amb541061 [0,0,0,0,0,1|1,0,2]=4 1985 B8R0.28 NC(=O)N\N=C\C(=O)O Amb10552378 [0,0,0,0,0,1|2,0,1]=4 1986 B8R0.28 NC(=O)SCCC(=O)O Amb28340935 [0,0,0,0,0,1|1,0,0]=2 1987 B8R0.28 NC(=S)CCCC(=O)O Amb27956588 [0,0,0,0,0,1|1,1,0]=3 1988 B8R0.28 NC(=S)NCCC(=O)O Amb27815302 [0,0,0,0,0,1|1,1,0]=3 1989 B8R0.28 NC(=S)SCCC(=O)O Amb4007391 [0,0,0,0,0,1|1,1,0]=3 1990 B8R0.28 O=C(Cl)CCCC(=O)Cl Amb3940242 [0,0,0,0,0,1|2,0,0]=3 1991 B8R0.28 O=C(Cl)COCC(=O)Cl Amb22228240 [0,0,0,0,0,1|2,0,0]=3 1992 B8R0.28 O=C(O)C=C=CC(=O)O Amb17593335 [0,0,0,0,0,1|1,0,2]=4 1993 B8R0.28 O=C(O)CCCC(=O)O Amb4037276 [0,0,0,0,0,1|1,0,0]=2 1994 B8R0.28 O=C(O)CCCC(F)F Amb24117996 [0,0,0,0,0,1|2,0,1]=4 1995 B8R0.28 O=C(O)CCCN(Cl)Cl Amb28313437 [0,0,0,0,0,1|3,0,0]=4 1996 B8R0.28 O=C(O)CCC[N+](=O)[O-] Amb24711043 [0,0,0,0,0,1|2,0,0]=3 1997 B8R0.28 O=C(O)CCO[N+](=O)[O-] Amb21953424 [0,0,0,0,0,1|2,0,0]=3 1998 B8R0.28 O=C(O)CCSC(F)F Amb8840854 [0,0,0,0,0,1|2,0,1]=4 1999 B8R0.28 O=C(O)CNCC(=O)O Amb3940364 [0,0,0,0,0,1|1,0,0]=2 2000 B8R0.28 O=C(O)COCC(=O)O Amb4433967 [0,0,0,0,0,1|1,0,0]=2 2001 B8R0.28 O=C(O)COCC(F)F Amb27218102 [0,0,0,0,0,1|2,0,1]=4 2002 B8R0.28 O=C(O)CSCC(=O)O Amb6608738 [0,0,0,0,0,1|1,0,0]=2 2003 B8R0.28 O=C(O)CSCC(F)F Amb18791606 [0,0,0,0,0,1|2,0,1]=4 2004 B8R0.28 O=C(O)\C=C/CC(=O)O Amb27882014 [0,0,0,0,0,1|1,0,1]=3 2005 B8R0.28 O=C(O)\C=C\CC(=O)O Amb1154189 [0,0,0,0,0,1|1,0,1]=3 2006 B8R0.28 O=C([O-])COCC(=O)O Amb9787328 [0,0,0,0,0,1|1,0,0]=2 2007 B5R0.1 BC(=O)NCC Amb27430059 [2,0,0,0,0,0|2,0,0]=4 2008 B5R0.1 C#CCC(=O)O Amb33532662 [2,0,0,0,0,0|0,0,2]=4 2009 B5R0.1 C=C(Br)CCO Amb4014497 [2,0,0,0,0,0|1,0,1]=4 2010 B5R0.1 C=C(C)CC=O Amb28202583 [2,0,0,0,0,0|1,0,0]=3 2011 B5R0.1 C=C(C)CCBr Amb21857866 [2,0,0,0,0,0|2,0,0]=4 2012 B5R0.1 C=C(C)CCC Amb8513259 [2,0,0,0,0,0|1,0,1]=4 2013 B5R0.1 C=C(C)CCCl Amb27810807 [2,0,0,0,0,0|2,0,0]=4 2014 B5R0.1 C=C(C)CCI Amb26649317 [2,0,0,0,0,0|2,0,0]=4 2015 B5R0.1 C=C(C)CCN Amb17673481 [2,0,0,0,0,0|2,0,0]=4 2016 B5R0.1 C=C(C)CCN Amb33543001 [2,0,0,0,0,0|2,0,0]=4 2017 B5R0.1 C=C(C)CCO Amb34916534 [2,0,0,0,0,0|1,0,0]=3 2018 B5R0.1 C=C(C)CCO Amb8513522 [2,0,0,0,0,0|1,0,0]=3 2019 B5R0.1 C=C(C)CCS Amb25887673 [2,0,0,0,0,0|1,1,0]=4 2020 B5R0.1 C=C(C)CNO Amb33199864 [2,0,0,0,0,0|2,0,0]=4 2021 B5R0.1 C=CCC(=C)C Amb22347764 [2,0,0,0,0,0|1,0,1]=4 2022 B5R0.1 C=CCC(=O)Cl Amb33543701 [2,0,0,0,0,0|1,0,1]=4 2023 B5R0.1 C=CCC(=O)O Amb3940098 [2,0,0,0,0,0|0,0,1]=3 2024 B5R0.1 C=CCC(C)=O Amb8396482 [2,0,0,0,0,0|0,0,1]=3 2025 B5R0.1 C=CCC(N)=O Amb17610156 [2,0,0,0,0,0|1,0,1]=4 2026 B5R0.1 C=CCS(=O)O Amb33534190 [2,0,0,0,0,0|1,0,1]=4 2027 B5R0.1 C=CC[PH](=O)O Amb8391287 [2,0,0,0,0,0|1,0,1]=4 2028 B5R0.1 C=CNC(C)=O Amb24323579 [2,0,0,0,0,0|1,0,1]=4 2029 B5R0.1 C=COC(C)=O Amb8513382 [2,0,0,0,0,0|1,0,1]=4 2030 B5R0.1 C=NCC(N)=O Amb26548445 [2,0,0,0,0,0|2,0,0]=4 2031 B5R0.1 C=NNC(C)=O Amb29626225 [2,0,0,0,0,0|2,0,0]=4 2032 B5R0.1 CC#CC(=O)O Amb2685714 [2,0,0,0,0,0|0,0,2]=4 2033 B5R0.1 CC(=O)C=C=O Amb10603952 [2,0,0,0,0,0|0,0,2]=4 2034 B5R0.1 CC(=O)CC#N Amb1102132 [2,0,0,0,0,0|1,0,1]=4 2035 B5R0.1 CC(=O)CC=N Amb28285098 [2,0,0,0,0,0|1,0,0]=3 2036 B5R0.1 CC(=O)CCBr Amb24078246 [2,0,0,0,0,0|1,0,0]=3 2037 B5R0.1 CC(=O)CCCl Amb2720823 [2,0,0,0,0,0|1,0,0]=3 2038 B5R0.1 CC(=O)CCF Amb26427773 [2,0,0,0,0,0|1,0,0]=3 2039 B5R0.1 CC(=O)CCN Amb18632933 [2,0,0,0,0,0|1,0,0]=3 2040 B5R0.1 CC(=O)CCN Amb33544540 [2,0,0,0,0,0|1,0,0]=3 2041 B5R0.1 CC(=O)CCO Amb836357 [2,0,0,0,0,0|0,0,0]=2 2042 B5R0.1 CC(=O)CC[NH3+] Amb17205167 [2,0,0,0,0,0|1,0,0]=3 2043 B5R0.1 CC(=O)CNO Amb28049954 [2,0,0,0,0,0|1,0,0]=3 2044 B5R0.1 CC(=O)CSN Amb28430346 [2,0,0,0,0,0|2,0,0]=4 2045 B5R0.1 CC(=O)N=C=O Amb17231800 [2,0,0,0,0,0|1,0,1]=4 2046 B5R0.1 CC(=O)N=S=O Amb9786964 [2,0,0,0,0,0|2,0,0]=4 2047 B5R0.1 CC(=O)NC=O Amb27850191 [2,0,0,0,0,0|1,0,0]=3 2048 B5R0.1 CC(=O)NCO Amb8516057 [2,0,0,0,0,0|1,0,0]=3 2049 B5R0.1 CC(=O)OC=O Amb25283525 [2,0,0,0,0,0|1,0,0]=3 2050 B5R0.1 CC(=O)OCBr Amb3941481 [2,0,0,0,0,0|2,0,0]=4 2051 B5R0.1 CC(=O)OCCl Amb33542858 [2,0,0,0,0,0|2,0,0]=4 2052 B5R0.1 CC(=O)OCI Amb25226851 [2,0,0,0,0,0|2,0,0]=4 2053 B5R0.1 CC(=O)SCBr Amb25349900 [2,0,0,0,0,0|2,0,0]=4 2054 B5R0.1 CC(=O)SCI Amb33339258 [2,0,0,0,0,0|2,0,0]=4 2055 B5R0.1 CC(=O)SCO Amb27255261 [2,0,0,0,0,0|1,0,0]=3 2056 B5R0.1 CC(=O)\C=C/N Amb25147403 [2,0,0,0,0,0|1,0,1]=4 2057 B5R0.1 CC(=O)\C=C/[O-] Amb30876865 [2,0,0,0,0,0|0,0,2]=4 2058 B5R0.1 CC(=O)\C=C\Cl Amb17593099 [2,0,0,0,0,0|1,0,1]=4 2059 B5R0.1 CC(=O)\C=C\N Amb8395283 [2,0,0,0,0,0|1,0,1]=4 2060 B5R0.1 CC(=O)\C=C\[O-] Amb32644521 [2,0,0,0,0,0|0,0,2]=4 2061 B5R0.1 CC(=O)\C=N/O Amb26474151 [2,0,0,0,0,0|1,0,1]=4 2062 B5R0.1 CC(=O)\C=N\O Amb33719017 [2,0,0,0,0,0|1,0,1]=4 2063 B5R0.1 CC(=O)\C=N\O Amb8395285 [2,0,0,0,0,0|1,0,1]=4 2064 B5R0.1 CC(C)=CC=O Amb8385061 [2,0,0,0,0,0|1,0,1]=4 2065 B5R0.1 CC(C)=CCO Amb4605830 [2,0,0,0,0,0|1,0,1]=4 2066 B5R0.1 CC(C)CC=O Amb3939851 [2,0,0,0,0,0|1,0,1]=4 2067 B5R0.1 CC(C)CCO Amb4605831 [2,0,0,0,0,0|1,0,1]=4 2068 B5R0.1 CC(Cl)CCO Amb27625144 [2,0,0,0,0,0|1,0,1]=4 2069 B5R0.1 CC(F)CC=O Amb28051612 [2,0,0,0,0,0|1,0,1]=4 2070 B5R0.1 CC(F)CCO Amb21951900 [2,0,0,0,0,0|1,0,1]=4 2071 B5R0.1 CC(N)CCO Amb2697504 [2,0,0,0,0,0|1,0,1]=4 2072 B5R0.1 CC(N)CCO Amb32666060 [2,0,0,0,0,0|1,0,1]=4 2073 B5R0.1 CC(O)CC=O Amb4036424 [2,0,0,0,0,0|0,0,2]=4 2074 B5R0.1 CC(O)CCO Amb6608662 [2,0,0,0,0,0|0,0,2]=4 2075 B5R0.1 CC(S)CCO Amb19148316 [2,0,0,0,0,0|0,1,1]=4 2076 B5R0.1 CCCB(O)O Amb2447105 [2,0,0,0,0,0|1,0,1]=4 2077 B5R0.1 CCCC(=N)N Amb10610381 [2,0,0,0,0,0|2,0,0]=4 2078 B5R0.1 CCCC(=N)N Amb2695914 [2,0,0,0,0,0|2,0,0]=4 2079 B5R0.1 CCCC(=O)Br Amb22734023 [2,0,0,0,0,0|1,0,0]=3 2080 B5R0.1 CCCC(=O)Cl Amb2792903 [2,0,0,0,0,0|1,0,0]=3 2081 B5R0.1 CCCC(=O)O Amb3939012 [2,0,0,0,0,0|0,0,0]=2 2082 B5R0.1 CCCC(=O)[O-] Amb8514901 [2,0,0,0,0,0|0,0,1]=3 2083 B5R0.1 CCCC(=S)Cl Amb24626931 [2,0,0,0,0,0|1,1,0]=4 2084 B5R0.1 CCCC(C)=O Amb6608910 [2,0,0,0,0,0|0,0,1]=3 2085 B5R0.1 CCCC(C)O Amb4605839 [2,0,0,0,0,0|1,0,1]=4 2086 B5R0.1 CCCC(N)=O Amb3886524 [2,0,0,0,0,0|1,0,0]=3 2087 B5R0.1 CCCC(N)=S Amb6245403 [2,0,0,0,0,0|1,1,0]=4 2088 B5R0.1 CCCC(N)=[NH2+] Amb8384484 [2,0,0,0,0,0|2,0,0]=4 2089 B5R0.1 CCCC(O)=S Amb22229383 [2,0,0,0,0,0|0,1,0]=3 2090 B5R0.1 CCCC(O)Cl Amb22552567 [2,0,0,0,0,0|1,0,1]=4 2091 B5R0.1 CCCC(O)O Amb26364594 [2,0,0,0,0,0|0,0,2]=4 2092 B5R0.1 CCCN(C)O Amb25024622 [2,0,0,0,0,0|2,0,0]=4 2093 B5R0.1 CCCS(=O)Cl Amb25025566 [2,0,0,0,0,0|2,0,0]=4 2094 B5R0.1 CCCS(=O)[O-] Amb19929119 [2,0,0,0,0,0|1,0,1]=4 2095 B5R0.1 CCCS(N)=O Amb24733579 [2,0,0,0,0,0|2,0,0]=4 2096 B5R0.1 CCC[C@@H](C)O Amb8628178 [2,0,0,0,0,0|1,0,1]=4 2097 B5R0.1 CCC[C@@H](N)O Amb28074861 [2,0,0,0,0,0|1,0,1]=4 2098 B5R0.1 CCC[C@H](C)O Amb8389338 [2,0,0,0,0,0|1,0,1]=4 2099 B5R0.1 CCC[N+](=O)[O-] Amb8513268 [2,0,0,0,0,0|1,0,1]=4 2100 B5R0.1 CCNC(=O)Cl Amb25791793 [2,0,0,0,0,0|2,0,0]=4 2101 B5R0.1 CCNC(C)=O Amb2780415 [2,0,0,0,0,0|1,0,1]=4 2102 B5R0.1 CCNC(N)=O Amb6608844 [2,0,0,0,0,0|2,0,0]=4 2103 B5R0.1 CCOC(=O)Cl Amb2793045 [2,0,0,0,0,0|2,0,0]=4 2104 B5R0.1 CCOC(=O)O Amb8393208 [2,0,0,0,0,0|1,0,0]=3 2105 B5R0.1 CCOC(C)=O Amb3940488 [2,0,0,0,0,0|1,0,1]=4 2106 B5R0.1 CCOC(N)=O Amb6608672 [2,0,0,0,0,0|2,0,0]=4 2107 B5R0.1 CCO[PH](=O)O Amb22360741 [2,0,0,0,0,0|2,0,0]=4 2108 B5R0.1 CCO[Si](=O)O Amb26569259 [2,0,0,0,0,0|1,1,0]=4 2109 B5R0.1 CCSC(=O)Cl Amb8516064 [2,0,0,0,0,0|2,0,0]=4 2110 B5R0.1 CN(Br)CCO Amb27405311 [2,0,0,0,0,0|2,0,0]=4 2111 B5R0.1 CN(C)CC=O Amb22002191 [2,0,0,0,0,0|2,0,0]=4 2112 B5R0.1 CN(C)CC=O Amb22491245 [2,0,0,0,0,0|2,0,0]=4 2113 B5R0.1 CN(C)CCO Amb2793033 [2,0,0,0,0,0|2,0,0]=4 2114 B5R0.1 CN(Cl)CCO Amb27457982 [2,0,0,0,0,0|2,0,0]=4 2115 B5R0.1 CN(N)CCO Amb28400197 [2,0,0,0,0,0|2,0,0]=4 2116 B5R0.1 CNCC(=O)O Amb6298808 [2,0,0,0,0,0|1,0,0]=3 2117 B5R0.1 CNCC(=O)O Amb6599996 [2,0,0,0,0,0|1,0,0]=3 2118 B5R0.1 CNCC(=O)[O-] Amb20246714 [2,0,0,0,0,0|1,0,1]=4 2119 B5R0.1 CNCC(C)=O Amb17621974 [2,0,0,0,0,0|1,0,1]=4 2120 B5R0.1 CNCC(C)=O Amb21959975 [2,0,0,0,0,0|1,0,1]=4 2121 B5R0.1 CNCC(N)=O Amb19134307 [2,0,0,0,0,0|2,0,0]=4 2122 B5R0.1 CNCC(N)=O Amb3940074 [2,0,0,0,0,0|2,0,0]=4 2123 B5R0.1 CNCC(N)=O Amb9151172 [2,0,0,0,0,0|2,0,0]=4 2124 B5R0.1 COCC(=O)Cl Amb3939326 [2,0,0,0,0,0|2,0,0]=4 2125 B5R0.1 COCC(=O)O Amb3939876 [2,0,0,0,0,0|1,0,0]=3 2126 B5R0.1 COCC(C)=O Amb8513767 [2,0,0,0,0,0|1,0,1]=4 2127 B5R0.1 COCC(N)=O Amb1153776 [2,0,0,0,0,0|2,0,0]=4 2128 B5R0.1 CS(=O)CCBr Amb28049280 [2,0,0,0,0,0|2,0,0]=4 2129 B5R0.1 CS(=O)CCCl Amb24116979 [2,0,0,0,0,0|2,0,0]=4 2130 B5R0.1 CS(=O)CCI Amb27752977 [2,0,0,0,0,0|2,0,0]=4 2131 B5R0.1 CS(=O)CCN Amb2786559 [2,0,0,0,0,0|2,0,0]=4 2132 B5R0.1 CS(=O)CCN Amb33543191 [2,0,0,0,0,0|2,0,0]=4 2133 B5R0.1 CS(=O)CCO Amb28075364 [2,0,0,0,0,0|1,0,0]=3 2134 B5R0.1 CSCC(=O)Cl Amb24528357 [2,0,0,0,0,0|2,0,0]=4 2135 B5R0.1 CSCC(=O)O Amb1152425 [2,0,0,0,0,0|1,0,0]=3 2136 B5R0.1 CSCC(C)=O Amb20621731 [2,0,0,0,0,0|1,0,1]=4 2137 B5R0.1 CSCC(N)=O Amb19515874 [2,0,0,0,0,0|2,0,0]=4 2138 B5R0.1 C[C@@H](N)CCO Amb19515999 [2,0,0,0,0,0|1,0,1]=4 2139 B5R0.1 C[C@@H](N)CCO Amb22746127 [2,0,0,0,0,0|1,0,1]=4 2140 B5R0.1 C[C@@H](O)CCO Amb4166294 [2,0,0,0,0,0|0,0,2]=4 2141 B5R0.1 C[C@@H](S)CCO Amb27255216 [2,0,0,0,0,0|0,1,1]=4 2142 B5R0.1 C[C@H](F)CCO Amb28428651 [2,0,0,0,0,0|1,0,1]=4 2143 B5R0.1 C[C@H](N)CCO Amb19515998 [2,0,0,0,0,0|1,0,1]=4 2144 B5R0.1 C[C@H](N)CCO Amb24055217 [2,0,0,0,0,0|1,0,1]=4 2145 B5R0.1 C[C@H](O)CC=O Amb27595676 [2,0,0,0,0,0|0,0,2]=4 2146 B5R0.1 C[C@H](O)CCO Amb4166300 [2,0,0,0,0,0|0,0,2]=4 2147 B5R0.1 C[NH2+]CC(N)=O Amb4303509 [2,0,0,0,0,0|2,0,0]=4 2148 B5R0.1 C\C(Br)=C/C=O Amb27202112 [2,0,0,0,0,0|1,0,1]=4 2149 B5R0.1 C\C(Br)=C/CO Amb30621790 [2,0,0,0,0,0|1,0,1]=4 2150 B5R0.1 C\C(Br)=C\C=O Amb27201671 [2,0,0,0,0,0|1,0,1]=4 2151 B5R0.1 C\C(Cl)=C\CO Amb25663061 [2,0,0,0,0,0|1,0,1]=4 2152 B5R0.1 C\C(I)=C/CO Amb17616110 [2,0,0,0,0,0|1,0,1]=4 2153 B5R0.1 C\C(I)=C\CO Amb30621783 [2,0,0,0,0,0|1,0,1]=4 2154 B5R0.1 C\C(N)=C/C=O Amb2612039 [2,0,0,0,0,0|1,0,1]=4 2155 B5R0.1 C\C=C/C(=O)O Amb27779315 [2,0,0,0,0,0|0,0,1]=3 2156 B5R0.1 C\C=C/C(C)=O Amb28351405 [2,0,0,0,0,0|1,0,1]=4 2157 B5R0.1 C\C=C\C(=O)Br Amb25026006 [2,0,0,0,0,0|1,0,1]=4 2158 B5R0.1 C\C=C\C(=O)Cl Amb8517577 [2,0,0,0,0,0|1,0,1]=4 2159 B5R0.1 C\C=C\C(=O)O Amb8385856 [2,0,0,0,0,0|0,0,1]=3 2160 B5R0.1 C\C=C\C(C)=O Amb33941980 [2,0,0,0,0,0|1,0,1]=4 2161 B5R0.1 C\C=C\C(N)=O Amb4025906 [2,0,0,0,0,0|1,0,1]=4 2162 B5R0.1 N#CCC(=O)O Amb2609022 [2,0,0,0,0,0|1,0,1]=4 2163 B5R0.1 N=C(N)CCO Amb2696134 [2,0,0,0,0,0|2,0,0]=4 2164 B5R0.1 N=C(N)CCO Amb8630168 [2,0,0,0,0,0|2,0,0]=4 2165 B5R0.1 NC(=O)CC=O Amb25777522 [2,0,0,0,0,0|1,0,0]=3 2166 B5R0.1 NC(=O)CCBr Amb21618712 [2,0,0,0,0,0|2,0,0]=4 2167 B5R0.1 NC(=O)CCCl Amb1127569 [2,0,0,0,0,0|2,0,0]=4 2168 B5R0.1 NC(=O)CCF Amb28289353 [2,0,0,0,0,0|2,0,0]=4 2169 B5R0.1 NC(=O)CCI Amb27966778 [2,0,0,0,0,0|2,0,0]=4 2170 B5R0.1 NC(=O)CCO Amb9421407 [2,0,0,0,0,0|1,0,0]=3 2171 B5R0.1 NC(=O)CCS Amb27154802 [2,0,0,0,0,0|1,1,0]=4 2172 B5R0.1 NC(=O)NC=O Amb8514974 [2,0,0,0,0,0|2,0,0]=4 2173 B5R0.1 NC(=O)NCO Amb17674341 [2,0,0,0,0,0|2,0,0]=4 2174 B5R0.1 NC(=S)CCO Amb8855295 [2,0,0,0,0,0|1,1,0]=4 2175 B5R0.1 NCCC(=O)Cl Amb24117140 [2,0,0,0,0,0|2,0,0]=4 2176 B5R0.1 NCCC(=O)O Amb1935127 [2,0,0,0,0,0|1,0,0]=3 2177 B5R0.1 NCCC(=O)[O-] Amb28991330 [2,0,0,0,0,0|1,0,1]=4 2178 B5R0.1 NCCC(N)=O Amb1137251 [2,0,0,0,0,0|2,0,0]=4 2179 B5R0.1 NCCC(N)=O Amb9147573 [2,0,0,0,0,0|2,0,0]=4 2180 B5R0.1 NCCS(=O)O Amb6600043 [2,0,0,0,0,0|2,0,0]=4 2181 B5R0.1 NCC[PH](=O)O Amb22168066 [2,0,0,0,0,0|2,0,0]=4 2182 B5R0.1 NCC[PH](=O)O Amb35788864 [2,0,0,0,0,0|2,0,0]=4 2183 B5R0.1 NNCC(=O)O Amb32751165 [2,0,0,0,0,0|2,0,0]=4 2184 B5R0.1 NNCC(=O)O Amb6740299 [2,0,0,0,0,0|2,0,0]=4 2185 B5R0.1 NOCC(=O)O Amb1154237 [2,0,0,0,0,0|2,0,0]=4 2186 B5R0.1 NOCC(=O)O Amb4324355 [2,0,0,0,0,0|2,0,0]=4 2187 B5R0.1 NOCC(=O)O Amb8513076 [2,0,0,0,0,0|2,0,0]=4 2188 B5R0.1 NS(=O)CCO Amb32720357 [2,0,0,0,0,0|2,0,0]=4 2189 B5R0.1 N\C=C\C(=O)O Amb27217920 [2,0,0,0,0,0|1,0,1]=4 2190 B5R0.1 O=C(Br)CCBr Amb24624022 [2,0,0,0,0,0|2,0,0]=4 2191 B5R0.1 O=C(Cl)CCBr Amb3941484 [2,0,0,0,0,0|2,0,0]=4 2192 B5R0.1 O=C(Cl)CCCl Amb3939313 [2,0,0,0,0,0|2,0,0]=4 2193 B5R0.1 O=C(Cl)CCF Amb27148631 [2,0,0,0,0,0|2,0,0]=4 2194 B5R0.1 O=C(Cl)CCI Amb28454579 [2,0,0,0,0,0|2,0,0]=4 2195 B5R0.1 O=C(Cl)CCO Amb27270014 [2,0,0,0,0,0|1,0,0]=3 2196 B5R0.1 O=C(F)CCCl Amb27257545 [2,0,0,0,0,0|2,0,0]=4 2197 B5R0.1 O=C(O)CCBr Amb2685479 [2,0,0,0,0,0|1,0,0]=3 2198 B5R0.1 O=C(O)CCCl Amb5395408 [2,0,0,0,0,0|1,0,0]=3 2199 B5R0.1 O=C(O)CCF Amb10603694 [2,0,0,0,0,0|1,0,0]=3 2200 B5R0.1 O=C(O)CCI Amb2688882 [2,0,0,0,0,0|1,0,0]=3 2201 B5R0.1 O=C(O)CCO Amb2688785 [2,0,0,0,0,0|0,0,1]=3 2202 B5R0.1 O=C(O)CCS Amb6608916 [2,0,0,0,0,0|0,1,0]=3 2203 B5R0.1 O=C(O)CNO Amb24120360 [2,0,0,0,0,0|1,0,1]=4 2204 B5R0.1 O=C(O)\C=C/Br Amb18644453 [2,0,0,0,0,0|1,0,1]=4 2205 B5R0.1 O=C(O)\C=C/Cl Amb8513768 [2,0,0,0,0,0|1,0,1]=4 2206 B5R0.1 O=C(O)\C=C/I Amb28315824 [2,0,0,0,0,0|1,0,1]=4 2207 B5R0.1 O=C(O)\C=C\Br Amb27423608 [2,0,0,0,0,0|1,0,1]=4 2208 B5R0.1 O=C(O)\C=C\Cl Amb33986098 [2,0,0,0,0,0|1,0,1]=4 2209 B5R0.1 O=C(O)\C=C\I Amb30584673 [2,0,0,0,0,0|1,0,1]=4 2210 B5R0.1 O=C(O)\C=C\O Amb26055842 [2,0,0,0,0,0|0,0,2]=4 2211 B5R0.1 O=C(O)\C=C\S Amb28401590 [2,0,0,0,0,0|0,1,1]=4 2212 B5R0.1 O=C(S)CCCl Amb27461454 [2,0,0,0,0,0|1,1,0]=4 2213 B5R0.1 O=C([O-])CCO Amb22055495 [2,0,0,0,0,0|1,0,0]=3 2214 B5R0.1 O=CCB(O)O Amb27449470 [2,0,0,0,0,0|1,0,1]=4 2215 B5R0.1 O=CCC(=O)O Amb22169407 [2,0,0,0,0,0|0,0,0]=2 2216 B5R0.1 O=CCC(=O)[Na] Amb27949540 [2,0,0,0,0,0|1,0,0]=3 2217 B5R0.1 O=CC[N+](=O)[O-] Amb28049659 [2,0,0,0,0,0|1,0,1]=4 2218 B5R0.1 O=S(Cl)CCO Amb32720404 [2,0,0,0,0,0|2,0,0]=4 2219 B5R0.1 O=S(O)CCO Amb25937057 [2,0,0,0,0,0|1,0,1]=4 2220 B5R0.1 O=S([O-])CCO Amb32754124 [2,0,0,0,0,0|2,0,0]=4 2221 B5R0.1 O=[N+]([O-])CCO Amb3940447 [2,0,0,0,0,0|2,0,0]=4 2222 B5R0.2 C#CCCC=O Amb28049678 [2,0,0,0,0,0|0,0,2]=4 2223 B5R0.2 C=CCCC=C Amb8513514 [2,0,0,0,0,0|1,0,1]=4 2224 B5R0.2 C=CCCC=O Amb4358616 [2,0,0,0,0,0|0,0,1]=3 2225 B5R0.2 C=CCCCC Amb3940497 [2,0,0,0,0,0|1,0,1]=4 2226 B5R0.2 C=CCCCO Amb8513439 [2,0,0,0,0,0|0,0,2]=4 2227 B5R0.2 C=CCCNC Amb18993048 [2,0,0,0,0,0|2,0,0]=4 2228 B5R0.2 C=CCCNC Amb33553635 [2,0,0,0,0,0|2,0,0]=4 2229 B5R0.2 C=CCCOC Amb28065418 [2,0,0,0,0,0|2,0,0]=4 2230 B5R0.2 C=CCCSC Amb24431590 [2,0,0,0,0,0|2,0,0]=4 2231 B5R0.2 C=CCNC=O Amb2781857 [2,0,0,0,0,0|1,0,1]=4 2232 B5R0.2 C=CC\C=C/C Amb26426294 [2,0,0,0,0,0|1,0,1]=4 2233 B5R0.2 CC#CCC=O Amb27850282 [2,0,0,0,0,0|0,0,2]=4 2234 B5R0.2 CCCCC=O Amb3939655 [2,0,0,0,0,0|0,0,1]=3 2235 B5R0.2 CCCCCO Amb3939051 [2,0,0,0,0,0|0,0,2]=4 2236 B5R0.2 CCCCNO Amb24686451 [2,0,0,0,0,0|1,0,1]=4 2237 B5R0.2 CCCCNO Amb32687485 [2,0,0,0,0,0|1,0,1]=4 2238 B5R0.2 CCSCC=O Amb17940620 [2,0,0,0,0,0|1,0,1]=4 2239 B5R0.2 CNCCCO Amb9246656 [2,0,0,0,0,0|1,0,1]=4 2240 B5R0.2 CNCCNO Amb27976196 [2,0,0,0,0,0|2,0,0]=4 2241 B5R0.2 COCCC=O Amb10602324 [2,0,0,0,0,0|1,0,0]=3 2242 B5R0.2 COCCCO Amb8385593 [2,0,0,0,0,0|1,0,1]=4 2243 B5R0.2 COCCNO Amb25284480 [2,0,0,0,0,0|2,0,0]=4 2244 B5R0.2 COCNC=O Amb28049834 [2,0,0,0,0,0|2,0,0]=4 2245 B5R0.2 CSCCC=O Amb3939952 [2,0,0,0,0,0|1,0,0]=3 2246 B5R0.2 CSCCCO Amb3939523 [2,0,0,0,0,0|1,0,1]=4 2247 B5R0.2 CSCCNO Amb33272071 [2,0,0,0,0,0|2,0,0]=4 2248 B5R0.2 C\C=C/CCO Amb19930204 [2,0,0,0,0,0|0,0,2]=4 2249 B5R0.2 C\C=C\CC=O Amb26655030 [2,0,0,0,0,0|0,0,1]=3 2250 B5R0.2 C\C=C\CCO Amb24655557 [2,0,0,0,0,0|0,0,2]=4 2251 B5R0.2 N#CCCC=O Amb3941009 [2,0,0,0,0,0|1,0,1]=4 2252 B5R0.2 NCCCC=O Amb26851044 [2,0,0,0,0,0|1,0,1]=4 2253 B5R0.2 O=CCCC=O Amb8395090 [2,0,0,0,0,0|0,0,0]=2 2254 B5R0.2 O=CCCCBr Amb18644189 [2,0,0,0,0,0|1,0,1]=4 2255 B5R0.2 O=CCCCCl Amb8395190 [2,0,0,0,0,0|1,0,1]=4 2256 B5R0.2 O=CCCCF Amb24056028 [2,0,0,0,0,0|1,0,1]=4 2257 B5R0.2 O=CCCCI Amb27249641 [2,0,0,0,0,0|1,0,1]=4 2258 B5R0.2 O=CCCCO Amb24589235 [2,0,0,0,0,0|0,0,1]=3 2259 B5R0.2 O=CCCSS Amb22524519 [2,0,0,0,0,0|1,1,0]=4 2260 B5R0.2 O=CCNC=O Amb26370295 [2,0,0,0,0,0|1,0,0]=3 2261 B5R0.2 O=CC\C=C\Cl Amb24571938 [2,0,0,0,0,0|1,0,1]=4 2262 B5R0.2 O=CNNC=O Amb6298322 [2,0,0,0,0,0|2,0,0]=4 2263 B5R0.2 O=COCCO Amb26625741 [2,0,0,0,0,0|1,0,1]=4 2264 B5R0.2 O=C\C=C/C=O Amb28146767 [2,0,0,0,0,0|0,0,2]=4 2265 B5R0.2 O=C\C=C\C=O Amb17593019 [2,0,0,0,0,0|0,0,2]=4 2266 B7R0.2 C#CC(C)CC(=O)O Amb27246384 [1,1,0,0,0,0|0,0,2]=4 2267 B7R0.2 C#C[C@H](O)CC(=O)O Amb28285208 [1,1,0,0,0,0|0,0,2]=4 2268 B7R0.2 C=C(Br)C[C@@H](C)C=O Amb28381143 [1,1,0,0,0,0|1,0,1]=4 2269 B7R0.2 C=C(C)CC(C)C=O Amb18641711 [1,1,0,0,0,0|1,0,0]=3 2270 B7R0.2 C=C(C)CC(F)CO Amb28079110 [1,1,0,0,0,0|1,0,1]=4 2271 B7R0.2 C=C(C)CC(N)CO Amb24665584 [1,1,0,0,0,0|1,0,1]=4 2272 B7R0.2 C=C(C)C[C@H](N)CO Amb27633094 [1,1,0,0,0,0|1,0,1]=4 2273 B7R0.2 C=C(CC)CC(=O)O Amb18641782 [1,1,0,0,0,0|0,0,2]=4 2274 B7R0.2 C=CC(=C)CC(C)=O Amb27668846 [1,1,0,0,0,0|1,0,1]=4 2275 B7R0.2 C=CC(=O)CC(C)=O Amb27470884 [1,1,0,0,0,0|1,0,1]=4 2276 B7R0.2 C=CC(Br)CC(=C)C Amb27231804 [1,1,0,0,0,0|2,0,0]=4 2277 B7R0.2 C=CC(C)CC(=O)O Amb18641774 [1,1,0,0,0,0|0,0,1]=3 2278 B7R0.2 C=CC(C)CC(C)=O Amb27759897 [1,1,0,0,0,0|1,0,0]=3 2279 B7R0.2 C=CC(C)CC(N)=O Amb27168118 [1,1,0,0,0,0|1,0,1]=4 2280 B7R0.2 C=CC(C)NC(C)=O Amb27236925 [1,1,0,0,0,0|2,0,0]=4 2281 B7R0.2 C=CC(C)OC(C)=O Amb4016456 [1,1,0,0,0,0|2,0,0]=4 2282 B7R0.2 C=CC(N)CC(=O)O Amb22641963 [1,1,0,0,0,0|0,0,1]=3 2283 B7R0.2 C=CC(N)CC(=O)O Amb31307621 [1,1,0,0,0,0|0,0,1]=3 2284 B7R0.2 C=CC(O)CC(=O)O Amb18641866 [1,1,0,0,0,0|0,0,1]=3 2285 B7R0.2 C=C[C@@H](C)CC(=O)O Amb27868377 [1,1,0,0,0,0|0,0,1]=3 2286 B7R0.2 C=C[C@@H](N)CC(=O)O Amb28315938 [1,1,0,0,0,0|0,0,1]=3 2287 B7R0.2 C=C[C@H](C)CC(=O)O Amb25791667 [1,1,0,0,0,0|0,0,1]=3 2288 B7R0.2 C=C[C@H](O)CC(=C)C Amb27854005 [1,1,0,0,0,0|2,0,0]=4 2289 B7R0.2 CC(=O)CC(=O)CO Amb28316150 [1,1,0,0,0,0|0,0,2]=4 2290 B7R0.2 CC(=O)CC(C)C#N Amb18124227 [1,1,0,0,0,0|1,0,1]=4 2291 B7R0.2 CC(=O)CC(C)CCl Amb28313530 [1,1,0,0,0,0|1,0,1]=4 2292 B7R0.2 CC(=O)CC(C)CN Amb18251072 [1,1,0,0,0,0|1,0,1]=4 2293 B7R0.2 CC(=O)CC(N)CO Amb27240210 [1,1,0,0,0,0|0,0,1]=3 2294 B7R0.2 CC(=O)CC(O)CCl Amb27827457 [1,1,0,0,0,0|1,0,1]=4 2295 B7R0.2 CC(=O)CN(C)N=O Amb27488722 [1,1,0,0,0,0|2,0,0]=4 2296 B7R0.2 CC(=O)C[C@@H](C)C=O Amb27470883 [1,1,0,0,0,0|0,0,0]=2 2297 B7R0.2 CC(=O)C[C@@H](O)CCl Amb27817734 [1,1,0,0,0,0|1,0,1]=4 2298 B7R0.2 CC(=O)C[C@H](C)C=O Amb24379584 [1,1,0,0,0,0|0,0,0]=2 2299 B7R0.2 CC(=O)C[C@H](O)CO Amb28316148 [1,1,0,0,0,0|0,0,1]=3 2300 B7R0.2 CC(=O)C\C(C)=N\O Amb26568890 [1,1,0,0,0,0|1,0,1]=4 2301 B7R0.2 CC(=O)NC(C)CO Amb9276356 [1,1,0,0,0,0|1,0,1]=4 2302 B7R0.2 CC(=O)N[C@@H](C)CO Amb26515722 [1,1,0,0,0,0|1,0,1]=4 2303 B7R0.2 CC(=O)N[C@H](C)C=O Amb27838347 [1,1,0,0,0,0|1,0,0]=3 2304 B7R0.2 CC(=O)N[C@H](C)CO Amb24426644 [1,1,0,0,0,0|1,0,1]=4 2305 B7R0.2 CC(=O)OC(C)C=O Amb18641863 [1,1,0,0,0,0|1,0,0]=3 2306 B7R0.2 CC(=O)O[C@H](C)C=O Amb28422009 [1,1,0,0,0,0|1,0,0]=3 2307 B7R0.2 CC(=O)\C=C(/C)C=O Amb27607120 [1,1,0,0,0,0|0,0,2]=4 2308 B7R0.2 CC(=O)\C=C(\C)C=O Amb18641689 [1,1,0,0,0,0|0,0,2]=4 2309 B7R0.2 CC(C#N)CC(=O)O Amb17334057 [1,1,0,0,0,0|1,0,1]=4 2310 B7R0.2 CC(C)CC(C)C=O Amb18641813 [1,1,0,0,0,0|1,0,1]=4 2311 B7R0.2 CC(C)CC(O)C=O Amb27250174 [1,1,0,0,0,0|1,0,1]=4 2312 B7R0.2 CC(C)C[C@@H](C)C=O Amb27164638 [1,1,0,0,0,0|1,0,1]=4 2313 B7R0.2 CC(C)C[C@H](N)C=O Amb26851754 [1,1,0,0,0,0|1,0,1]=4 2314 B7R0.2 CC(CC(=O)O)NN Amb28346224 [1,1,0,0,0,0|2,0,0]=4 2315 B7R0.2 CC(CC(=O)O)NN Amb33141007 [1,1,0,0,0,0|2,0,0]=4 2316 B7R0.2 CC(CF)CC(=O)O Amb25990964 [1,1,0,0,0,0|1,0,1]=4 2317 B7R0.2 CC(CN)CC(=O)O Amb18124263 [1,1,0,0,0,0|1,0,1]=4 2318 B7R0.2 CC(CN)CC(=O)O Amb20669501 [1,1,0,0,0,0|1,0,1]=4 2319 B7R0.2 CC(CN)CC(=O)O Amb32752805 [1,1,0,0,0,0|1,0,1]=4 2320 B7R0.2 CC(CO)CC(=O)O Amb18198168 [1,1,0,0,0,0|0,0,2]=4 2321 B7R0.2 CC(CO)CC(=O)[O-] Amb33329956 [1,1,0,0,0,0|1,0,1]=4 2322 B7R0.2 CCC(=O)CC(=O)O Amb18641869 [1,1,0,0,0,0|0,0,2]=4 2323 B7R0.2 CCC(C)CC(=O)Cl Amb10844649 [1,1,0,0,0,0|1,0,1]=4 2324 B7R0.2 CCC(C)CC(=O)O Amb2689581 [1,1,0,0,0,0|0,0,1]=3 2325 B7R0.2 CCC(C)CC(C)=O Amb10608208 [1,1,0,0,0,0|1,0,1]=4 2326 B7R0.2 CCC(C)CC(N)=O Amb25230669 [1,1,0,0,0,0|1,0,1]=4 2327 B7R0.2 CCC(Cl)CC(C)=O Amb28121450 [1,1,0,0,0,0|1,0,1]=4 2328 B7R0.2 CCC(N)CC(=O)O Amb1993862 [1,1,0,0,0,0|0,0,1]=3 2329 B7R0.2 CCC(N)CC(=O)O Amb8631361 [1,1,0,0,0,0|0,0,1]=3 2330 B7R0.2 CCC(N)CC(C)=O Amb18631696 [1,1,0,0,0,0|1,0,1]=4 2331 B7R0.2 CCC(N)CC(C)=O Amb26895708 [1,1,0,0,0,0|1,0,1]=4 2332 B7R0.2 CCC(N)CC(N)=O Amb25727686 [1,1,0,0,0,0|1,0,1]=4 2333 B7R0.2 CCC(O)CC(=O)O Amb10844270 [1,1,0,0,0,0|0,0,1]=3 2334 B7R0.2 CCC(O)CC(C)=O Amb25065181 [1,1,0,0,0,0|1,0,1]=4 2335 B7R0.2 CCN(C)CC(=O)O Amb33620688 [1,1,0,0,0,0|1,0,1]=4 2336 B7R0.2 CCN(C)CC(=O)O Amb8428140 [1,1,0,0,0,0|1,0,1]=4 2337 B7R0.2 CCN(O)CC(=O)O Amb28195485 [1,1,0,0,0,0|1,0,1]=4 2338 B7R0.2 CCS(=O)CC(=O)O Amb10608063 [1,1,0,0,0,0|1,0,1]=4 2339 B7R0.2 CC[C@@H](C)CC(=O)O Amb2696314 [1,1,0,0,0,0|0,0,1]=3 2340 B7R0.2 CC[C@@H](N)CC(=O)O Amb22225305 [1,1,0,0,0,0|0,0,1]=3 2341 B7R0.2 CC[C@@H](N)CC(=O)O Amb8397198 [1,1,0,0,0,0|0,0,1]=3 2342 B7R0.2 CC[C@@H](O)CC(=O)O Amb27601320 [1,1,0,0,0,0|0,0,1]=3 2343 B7R0.2 CC[C@@H](O)CC(C)=O Amb25060158 [1,1,0,0,0,0|1,0,1]=4 2344 B7R0.2 CC[C@H](C)CC(=O)O Amb2696313 [1,1,0,0,0,0|0,0,1]=3 2345 B7R0.2 CC[C@H](N)CC(=O)O Amb22226650 [1,1,0,0,0,0|0,0,1]=3 2346 B7R0.2 CC[C@H](N)CC(=O)O Amb8397197 [1,1,0,0,0,0|0,0,1]=3 2347 B7R0.2 CC[C@H](O)CC(=O)O Amb33189078 [1,1,0,0,0,0|0,0,1]=3 2348 B7R0.2 CC[C@H](O)CC(C)=O Amb26980782 [1,1,0,0,0,0|1,0,1]=4 2349 B7R0.2 CN(C=O)CC(N)=O Amb27471534 [1,1,0,0,0,0|2,0,0]=4 2350 B7R0.2 CN(CC(=O)O)N=O Amb17618622 [1,1,0,0,0,0|2,0,0]=4 2351 B7R0.2 CNC(=O)CC(=O)O Amb33529761 [1,1,0,0,0,0|1,0,1]=4 2352 B7R0.2 CNC(C)CC(=O)O Amb21959674 [1,1,0,0,0,0|1,0,0]=3 2353 B7R0.2 CNC(C)CC(=O)O Amb9398363 [1,1,0,0,0,0|1,0,0]=3 2354 B7R0.2 CNC(C)CC(N)=O Amb17231826 [1,1,0,0,0,0|2,0,0]=4 2355 B7R0.2 CNC(C)CC(N)=O Amb19960012 [1,1,0,0,0,0|2,0,0]=4 2356 B7R0.2 CN[C@H](C)CC(=O)O Amb25339129 [1,1,0,0,0,0|1,0,0]=3 2357 B7R0.2 COC(=O)CC(=O)O Amb16232032 [1,1,0,0,0,0|1,0,1]=4 2358 B7R0.2 COC(C)CC(=O)O Amb4001695 [1,1,0,0,0,0|1,0,0]=3 2359 B7R0.2 COC(C)CC(C)=O Amb26512071 [1,1,0,0,0,0|2,0,0]=4 2360 B7R0.2 COC(C)CC(N)=O Amb27838372 [1,1,0,0,0,0|2,0,0]=4 2361 B7R0.2 CON(C)CC(=O)O Amb8010467 [1,1,0,0,0,0|2,0,0]=4 2362 B7R0.2 CO[C@H](C)CC(=O)O Amb27266082 [1,1,0,0,0,0|1,0,0]=3 2363 B7R0.2 CO[C@H](C)CC(C)=O Amb26494510 [1,1,0,0,0,0|2,0,0]=4 2364 B7R0.2 CSC(C)CC(=O)O Amb18967824 [1,1,0,0,0,0|1,0,0]=3 2365 B7R0.2 CSC(C)CC(C)=O Amb25714199 [1,1,0,0,0,0|2,0,0]=4 2366 B7R0.2 CSC(C)CC(N)=O Amb27838848 [1,1,0,0,0,0|2,0,0]=4 2367 B7R0.2 CS[C@H](C)CC(=O)O Amb27648548 [1,1,0,0,0,0|1,0,0]=3 2368 B7R0.2 C[C@@H](CN)CC(=O)O Amb26864355 [1,1,0,0,0,0|1,0,1]=4 2369 B7R0.2 C[C@@H](CN)CC(=O)O Amb32656230 [1,1,0,0,0,0|1,0,1]=4 2370 B7R0.2 C[C@H](CN)CC(=O)O Amb26887694 [1,1,0,0,0,0|1,0,1]=4 2371 B7R0.2 C[C@H](CN)CC(=O)O Amb32663834 [1,1,0,0,0,0|1,0,1]=4 2372 B7R0.2 C[C@H](CO)CC(=O)O Amb28040661 [1,1,0,0,0,0|0,0,2]=4 2373 B7R0.2 C\C=C(/C)CC(C)=O Amb28066574 [1,1,0,0,0,0|1,0,1]=4 2374 B7R0.2 C\C=C(\C)CC(C)=O Amb27637813 [1,1,0,0,0,0|1,0,1]=4 2375 B7R0.2 C\C=C(\Cl)CC(=O)O Amb25174797 [1,1,0,0,0,0|0,0,1]=3 2376 B7R0.2 N#CC(N)CC(=O)O Amb27985578 [1,1,0,0,0,0|1,0,1]=4 2377 B7R0.2 NC(=O)CC(Br)CO Amb28384721 [1,1,0,0,0,0|1,0,1]=4 2378 B7R0.2 NC(=O)CC(O)CO Amb25662216 [1,1,0,0,0,0|1,0,1]=4 2379 B7R0.2 NC(=O)C[C@H](O)CO Amb8388588 [1,1,0,0,0,0|1,0,1]=4 2380 B7R0.2 NC(C=O)CC(=O)O Amb27669608 [1,1,0,0,0,0|0,0,0]=2 2381 B7R0.2 NC(CF)CC(=O)O Amb24428065 [1,1,0,0,0,0|1,0,1]=4 2382 B7R0.2 NC(CS)CC(=O)O Amb25090412 [1,1,0,0,0,0|0,1,1]=4 2383 B7R0.2 NCC(N)CC(=O)O Amb19515145 [1,1,0,0,0,0|1,0,1]=4 2384 B7R0.2 NCC(N)CC(=O)O Amb21858324 [1,1,0,0,0,0|1,0,1]=4 2385 B7R0.2 NCC(O)CC(=O)O Amb32663899 [1,1,0,0,0,0|1,0,1]=4 2386 B7R0.2 NCC(O)CC(=O)O Amb33544754 [1,1,0,0,0,0|1,0,1]=4 2387 B7R0.2 NC[C@@H](F)CC(=O)O Amb27481078 [1,1,0,0,0,0|1,0,1]=4 2388 B7R0.2 NC[C@@H](N)CC(=O)O Amb10603267 [1,1,0,0,0,0|1,0,1]=4 2389 B7R0.2 NC[C@@H](O)CC(=O)O Amb32665211 [1,1,0,0,0,0|1,0,1]=4 2390 B7R0.2 NC[C@@H](O)CC(=O)O Amb8386098 [1,1,0,0,0,0|1,0,1]=4 2391 B7R0.2 NC[C@H](O)CC(=O)O Amb8628962 [1,1,0,0,0,0|1,0,1]=4 2392 B7R0.2 N[C@@H](CO)CC(=O)O Amb16184020 [1,1,0,0,0,0|0,0,2]=4 2393 B7R0.2 N[C@@H](CO)CC(=O)O Amb22388520 [1,1,0,0,0,0|0,0,2]=4 2394 B7R0.2 N[C@H](C=O)CC(=O)O Amb28428447 [1,1,0,0,0,0|0,0,0]=2 2395 B7R0.2 N[C@H](CO)CC(=O)O Amb2694944 [1,1,0,0,0,0|0,0,2]=4 2396 B7R0.2 N[C@H](CS)CC(=O)O Amb28326106 [1,1,0,0,0,0|0,1,1]=4 2397 B7R0.2 O=C(O)CC(O)CBr Amb27592126 [1,1,0,0,0,0|1,0,1]=4 2398 B7R0.2 O=C(O)CC(O)CF Amb26557587 [1,1,0,0,0,0|1,0,1]=4 2399 B7R0.2 O=C(O)CC(O)CO Amb28120003 [1,1,0,0,0,0|0,0,2]=4 2400 B7R0.2 O=C(O)CC(O)CS Amb27244674 [1,1,0,0,0,0|0,1,1]=4 2401 B7R0.2 O=C(O)C[C@@H](O)CF Amb33377449 [1,1,0,0,0,0|1,0,1]=4 2402 B7R0.2 O=C(O)C[C@H](O)CBr Amb28325607 [1,1,0,0,0,0|1,0,1]=4 2403 B7R0.2 O=C(O)C[C@H](O)CCl Amb27830780 [1,1,0,0,0,0|1,0,1]=4 2404 B7R0.2 O=C(O)C[C@H](O)CF Amb33377451 [1,1,0,0,0,0|1,0,1]=4 2405 B7R0.2 O=C(O)C[C@H](O)CO Amb26353423 [1,1,0,0,0,0|0,0,2]=4 2406 B7R0.2 O=C(O)C\C(Cl)=C\Cl Amb27812877 [1,1,0,0,0,0|1,0,1]=4 2407 B7R0.2 O=C([O-])CC(O)CO Amb24117078 [1,1,0,0,0,0|1,0,1]=4 2408 B7R0.2 O=CN(O)CC(=O)O Amb25367291 [1,1,0,0,0,0|1,0,0]=3 2409 B7R0.2 O=C\C(Cl)=C/C(=O)O Amb27852924 [1,1,0,0,0,0|0,0,2]=4 2410 B7R0.3 C#CC(=C)CCC=O Amb27830103 [1,1,0,0,0,0|1,0,1]=4 2411 B7R0.3 C#CC(=O)CCCC Amb28128200 [1,1,0,0,0,0|1,0,1]=4 2412 B7R0.3 C#CC(=O)CCCO Amb27593195 [1,1,0,0,0,0|0,0,2]=4 2413 B7R0.3 C#CCCC(=O)OC Amb18115985 [1,1,0,0,0,0|0,0,2]=4 2414 B7R0.3 C=C(C=O)CCCC Amb4025817 [1,1,0,0,0,0|1,0,1]=4 2415 B7R0.3 C=C(C=O)CCCO Amb28128165 [1,1,0,0,0,0|0,0,2]=4 2416 B7R0.3 C=C(C=O)CCOC Amb27948778 [1,1,0,0,0,0|2,0,0]=4 2417 B7R0.3 C=C(C=O)C\C=C\C Amb26441086 [1,1,0,0,0,0|1,0,1]=4 2418 B7R0.3 C=C(CC)CCC=O Amb27233336 [1,1,0,0,0,0|1,0,0]=3 2419 B7R0.3 C=C(CC)CCCO Amb26032857 [1,1,0,0,0,0|1,0,1]=4 2420 B7R0.3 C=C=C(C)CCCO Amb28321385 [1,1,0,0,0,0|1,0,1]=4 2421 B7R0.3 C=CC(=O)CCCC Amb25062494 [1,1,0,0,0,0|1,0,1]=4 2422 B7R0.3 C=CC(=O)CCOC Amb24744935 [1,1,0,0,0,0|2,0,0]=4 2423 B7R0.3 C=CC(=O)CCSC Amb25334636 [1,1,0,0,0,0|2,0,0]=4 2424 B7R0.3 C=CC(=O)C\C=C\C Amb26475455 [1,1,0,0,0,0|1,0,1]=4 2425 B7R0.3 C=CCCC(=N)NO Amb26959869 [1,1,0,0,0,0|1,0,1]=4 2426 B7R0.3 C=CCCC(=O)C#N Amb27749803 [1,1,0,0,0,0|1,0,1]=4 2427 B7R0.3 C=CCCC(=O)CBr Amb22059627 [1,1,0,0,0,0|1,0,0]=3 2428 B7R0.3 C=CCCC(=O)CC Amb9031676 [1,1,0,0,0,0|1,0,0]=3 2429 B7R0.3 C=CCCC(=O)CCl Amb22059504 [1,1,0,0,0,0|1,0,0]=3 2430 B7R0.3 C=CCCC(=O)CF Amb28074643 [1,1,0,0,0,0|1,0,0]=3 2431 B7R0.3 C=CCCC(=O)NC Amb25041195 [1,1,0,0,0,0|1,0,0]=3 2432 B7R0.3 C=CCCC(=O)NN Amb27775332 [1,1,0,0,0,0|1,0,1]=4 2433 B7R0.3 C=CCCC(=O)NN Amb27831946 [1,1,0,0,0,0|1,0,1]=4 2434 B7R0.3 C=CCCC(=O)NO Amb28205003 [1,1,0,0,0,0|0,0,1]=3 2435 B7R0.3 C=CCCC(=O)OC Amb2369959 [1,1,0,0,0,0|0,0,1]=3 2436 B7R0.3 C=CCCC(C)C=O Amb25100921 [1,1,0,0,0,0|1,0,1]=4 2437 B7R0.3 C=CCCC(O)C=O Amb27863605 [1,1,0,0,0,0|0,0,2]=4 2438 B7R0.3 C=CCCN(C)C=O Amb28126048 [1,1,0,0,0,0|2,0,0]=4 2439 B7R0.3 C=CCC[C@H](C)C=O Amb27799770 [1,1,0,0,0,0|1,0,1]=4 2440 B7R0.3 C=CCC\C(C)=N/N Amb27595313 [1,1,0,0,0,0|2,0,0]=4 2441 B7R0.3 C=CCNC(=O)CBr Amb2089072 [1,1,0,0,0,0|2,0,0]=4 2442 B7R0.3 C=CCNC(=O)CCl Amb1151297 [1,1,0,0,0,0|2,0,0]=4 2443 B7R0.3 C=CCNC(=O)CI Amb26023441 [1,1,0,0,0,0|2,0,0]=4 2444 B7R0.3 C=CCNC(=O)CN Amb21958702 [1,1,0,0,0,0|2,0,0]=4 2445 B7R0.3 C=CCNC(=O)CN Amb5783027 [1,1,0,0,0,0|2,0,0]=4 2446 B7R0.3 C=CCNC(=O)CO Amb33531863 [1,1,0,0,0,0|1,0,1]=4 2447 B7R0.3 C=CCNC(=O)NO Amb28134073 [1,1,0,0,0,0|1,0,1]=4 2448 B7R0.3 C=CCNC(=O)OC Amb17794125 [1,1,0,0,0,0|1,0,1]=4 2449 B7R0.3 C=CCOC(=O)CC Amb22050537 [1,1,0,0,0,0|2,0,0]=4 2450 B7R0.3 C=CCOC(=O)CCl Amb8515844 [1,1,0,0,0,0|2,0,0]=4 2451 B7R0.3 C=CCOC(=O)CI Amb26593247 [1,1,0,0,0,0|2,0,0]=4 2452 B7R0.3 C=CCOC(=O)CN Amb18641828 [1,1,0,0,0,0|2,0,0]=4 2453 B7R0.3 C=CCOC(=O)CN Amb33734248 [1,1,0,0,0,0|2,0,0]=4 2454 B7R0.3 C=CCOC(=O)CS Amb27815024 [1,1,0,0,0,0|2,0,0]=4 2455 B7R0.3 C=CCOC(=O)OC Amb8515646 [1,1,0,0,0,0|1,0,1]=4 2456 B7R0.3 C=CCSC(=O)CC Amb22043318 [1,1,0,0,0,0|2,0,0]=4 2457 B7R0.3 C=CC\C=C(/C)C=O Amb18123725 [1,1,0,0,0,0|1,0,1]=4 2458 B7R0.3 C=C[C@@H](C)CCC=O Amb25025116 [1,1,0,0,0,0|1,0,1]=4 2459 B7R0.3 CC#CCC(=O)OC Amb6336504 [1,1,0,0,0,0|0,0,2]=4 2460 B7R0.3 CC=C=CC(=O)OC Amb26575881 [1,1,0,0,0,0|0,0,2]=4 2461 B7R0.3 CCC(=O)CCC#N Amb25321503 [1,1,0,0,0,0|1,0,1]=4 2462 B7R0.3 CCC(=O)CCCBr Amb25765636 [1,1,0,0,0,0|1,0,1]=4 2463 B7R0.3 CCC(=O)CCCCl Amb17593423 [1,1,0,0,0,0|1,0,1]=4 2464 B7R0.3 CCC(=O)CCCN Amb18833012 [1,1,0,0,0,0|1,0,1]=4 2465 B7R0.3 CCC(=O)CCNC Amb27963044 [1,1,0,0,0,0|2,0,0]=4 2466 B7R0.3 CCC(=O)CCSC Amb25680024 [1,1,0,0,0,0|2,0,0]=4 2467 B7R0.3 CCC(=O)C\C=C\Cl Amb28349318 [1,1,0,0,0,0|1,0,1]=4 2468 B7R0.3 CCC(=O)NCC=O Amb17102054 [1,1,0,0,0,0|1,0,0]=3 2469 B7R0.3 CCC(=O)NCCO Amb5797470 [1,1,0,0,0,0|1,0,1]=4 2470 B7R0.3 CCC(=O)NNC=O Amb27835377 [1,1,0,0,0,0|2,0,0]=4 2471 B7R0.3 CCC(=O)OCCO Amb27217859 [1,1,0,0,0,0|1,0,1]=4 2472 B7R0.3 CCC(=O)\C=C\C=O Amb18641682 [1,1,0,0,0,0|0,0,2]=4 2473 B7R0.3 CCC(Cl)CCC=O Amb27637733 [1,1,0,0,0,0|1,0,1]=4 2474 B7R0.3 CCC(N)CCC=O Amb33036216 [1,1,0,0,0,0|1,0,1]=4 2475 B7R0.3 CCCCC(=N)OC Amb17617956 [1,1,0,0,0,0|1,0,1]=4 2476 B7R0.3 CCCCC(=N)OC Amb25353357 [1,1,0,0,0,0|1,0,1]=4 2477 B7R0.3 CCCCC(=O)C#N Amb22729179 [1,1,0,0,0,0|1,0,1]=4 2478 B7R0.3 CCCCC(=O)CBr Amb24563421 [1,1,0,0,0,0|1,0,1]=4 2479 B7R0.3 CCCCC(=O)CC Amb4605999 [1,1,0,0,0,0|1,0,1]=4 2480 B7R0.3 CCCCC(=O)CCl Amb17593420 [1,1,0,0,0,0|1,0,1]=4 2481 B7R0.3 CCCCC(=O)CN Amb24473062 [1,1,0,0,0,0|1,0,1]=4 2482 B7R0.3 CCCCC(=O)CO Amb26073501 [1,1,0,0,0,0|0,0,1]=3 2483 B7R0.3 CCCCC(=O)NC Amb5797766 [1,1,0,0,0,0|1,0,1]=4 2484 B7R0.3 CCCCC(=O)NN Amb534136 [1,1,0,0,0,0|1,0,1]=4 2485 B7R0.3 CCCCC(=O)NO Amb6269796 [1,1,0,0,0,0|0,0,1]=3 2486 B7R0.3 CCCC\C(Cl)=N\O Amb28397410 [1,1,0,0,0,0|1,0,1]=4 2487 B7R0.3 CCCC\C(N)=N/O Amb2696577 [1,1,0,0,0,0|1,0,1]=4 2488 B7R0.3 CCCC\C(N)=N\O Amb8391665 [1,1,0,0,0,0|1,0,1]=4 2489 B7R0.3 CCCNC(=O)CO Amb5798169 [1,1,0,0,0,0|1,0,1]=4 2490 B7R0.3 CCCOC(=O)CO Amb25964379 [1,1,0,0,0,0|1,0,1]=4 2491 B7R0.3 CCCOC(=O)OC Amb27153532 [1,1,0,0,0,0|1,0,1]=4 2492 B7R0.3 CCNCC(=O)NO Amb27755137 [1,1,0,0,0,0|1,0,1]=4 2493 B7R0.3 CCNCC(=O)OC Amb19514718 [1,1,0,0,0,0|1,0,1]=4 2494 B7R0.3 CCNCC(=O)OC Amb6687125 [1,1,0,0,0,0|1,0,1]=4 2495 B7R0.3 CCOCC(=O)CO Amb28066809 [1,1,0,0,0,0|1,0,1]=4 2496 B7R0.3 CCOCC(=O)OC Amb7753022 [1,1,0,0,0,0|1,0,1]=4 2497 B7R0.3 CCSCC(=O)OC Amb7753193 [1,1,0,0,0,0|1,0,1]=4 2498 B7R0.3 CC[C@@H](C)CCC=O Amb27949584 [1,1,0,0,0,0|1,0,1]=4 2499 B7R0.3 CN(C=O)CCCO Amb17593211 [1,1,0,0,0,0|1,0,1]=4 2500 B7R0.3 CN(CCC=O)N=O Amb17617679 [1,1,0,0,0,0|1,0,0]=3 2501 B7R0.3 CN(CCCO)N=O Amb25934136 [1,1,0,0,0,0|1,0,1]=4 2502 B7R0.3 CNC(=O)CCC#N Amb17334052 [1,1,0,0,0,0|1,0,1]=4 2503 B7R0.3 CNC(=O)CCCCl Amb1137464 [1,1,0,0,0,0|1,0,1]=4 2504 B7R0.3 CNC(=O)CCCI Amb27625606 [1,1,0,0,0,0|1,0,1]=4 2505 B7R0.3 CNC(=O)CCCN Amb6263864 [1,1,0,0,0,0|1,0,1]=4 2506 B7R0.3 CNC(=O)CCCN Amb9176288 [1,1,0,0,0,0|1,0,1]=4 2507 B7R0.3 CNC(=O)CCCO Amb17231829 [1,1,0,0,0,0|0,0,1]=3 2508 B7R0.3 CNC(=O)CCCS Amb27259921 [1,1,0,0,0,0|0,1,1]=4 2509 B7R0.3 CNC(=O)CCNN Amb26936043 [1,1,0,0,0,0|2,0,0]=4 2510 B7R0.3 CNC(=O)CCOC Amb27655430 [1,1,0,0,0,0|2,0,0]=4 2511 B7R0.3 CNC(=O)NCCO Amb24376074 [1,1,0,0,0,0|1,0,1]=4 2512 B7R0.3 CNC(=O)OCCO Amb3939460 [1,1,0,0,0,0|1,0,1]=4 2513 B7R0.3 CNCCC(=N)OC Amb28411188 [1,1,0,0,0,0|2,0,0]=4 2514 B7R0.3 CNCCC(=O)NC Amb19959924 [1,1,0,0,0,0|2,0,0]=4 2515 B7R0.3 CNCCC(=O)NC Amb8428200 [1,1,0,0,0,0|2,0,0]=4 2516 B7R0.3 CNCCC(=O)NN Amb28143068 [1,1,0,0,0,0|2,0,0]=4 2517 B7R0.3 CNCCC(=O)NO Amb27763537 [1,1,0,0,0,0|1,0,0]=3 2518 B7R0.3 CNCCC(=O)OC Amb22168213 [1,1,0,0,0,0|1,0,0]=3 2519 B7R0.3 CNCCC(=O)OC Amb7969878 [1,1,0,0,0,0|1,0,0]=3 2520 B7R0.3 CNCC\C(N)=N/O Amb19981296 [1,1,0,0,0,0|2,0,0]=4 2521 B7R0.3 CNCC\C(N)=N\O Amb22410480 [1,1,0,0,0,0|2,0,0]=4 2522 B7R0.3 CNOCC(=O)OC Amb32662920 [1,1,0,0,0,0|2,0,0]=4 2523 B7R0.3 CNOCC(=O)OC Amb33067971 [1,1,0,0,0,0|2,0,0]=4 2524 B7R0.3 COC(=O)C#CC=O Amb27441102 [1,1,0,0,0,0|0,0,2]=4 2525 B7R0.3 COC(=O)CCC#N Amb2689406 [1,1,0,0,0,0|1,0,1]=4 2526 B7R0.3 COC(=O)CCC=O Amb18124259 [1,1,0,0,0,0|0,0,0]=2 2527 B7R0.3 COC(=O)CCCBr Amb8516943 [1,1,0,0,0,0|1,0,1]=4 2528 B7R0.3 COC(=O)CCCCl Amb3940271 [1,1,0,0,0,0|1,0,1]=4 2529 B7R0.3 COC(=O)CCCI Amb3941711 [1,1,0,0,0,0|1,0,1]=4 2530 B7R0.3 COC(=O)CCCN Amb402626 [1,1,0,0,0,0|1,0,1]=4 2531 B7R0.3 COC(=O)CCCS Amb19373761 [1,1,0,0,0,0|0,1,1]=4 2532 B7R0.3 COC(=O)CCC[NH3+] Amb2778689 [1,1,0,0,0,0|1,0,1]=4 2533 B7R0.3 COC(=O)CCON Amb29848091 [1,1,0,0,0,0|2,0,0]=4 2534 B7R0.3 COC(=O)CCSC Amb8393179 [1,1,0,0,0,0|1,0,0]=3 2535 B7R0.3 COC(=O)CN=C=O Amb3905407 [1,1,0,0,0,0|1,0,1]=4 2536 B7R0.3 COC(=O)CNC=O Amb22000868 [1,1,0,0,0,0|1,0,0]=3 2537 B7R0.3 COC(=O)CNC=S Amb27839121 [1,1,0,0,0,0|1,1,0]=4 2538 B7R0.3 COC(=O)C\C=C\Cl Amb28458363 [1,1,0,0,0,0|1,0,1]=4 2539 B7R0.3 COC(=O)NCC=O Amb27839038 [1,1,0,0,0,0|1,0,0]=3 2540 B7R0.3 COC(=O)NCCO Amb9285601 [1,1,0,0,0,0|1,0,1]=4 2541 B7R0.3 COC(=O)NCSC Amb28398191 [1,1,0,0,0,0|2,0,0]=4 2542 B7R0.3 COC(=O)OCC=O Amb28208420 [1,1,0,0,0,0|1,0,0]=3 2543 B7R0.3 COC(=O)\C=C\C=O Amb18641759 [1,1,0,0,0,0|0,0,2]=4 2544 B7R0.3 COC(C)CCC=O Amb25917630 [1,1,0,0,0,0|0,0,2]=4 2545 B7R0.3 COCCC(=O)CCl Amb20622320 [1,1,0,0,0,0|2,0,0]=4 2546 B7R0.3 COCCC(=O)CN Amb26515688 [1,1,0,0,0,0|2,0,0]=4 2547 B7R0.3 COCCC(=O)NN Amb2689273 [1,1,0,0,0,0|2,0,0]=4 2548 B7R0.3 COCCC(=O)OC Amb6296150 [1,1,0,0,0,0|1,0,0]=3 2549 B7R0.3 COCC\C(N)=C\O Amb28364926 [1,1,0,0,0,0|2,0,0]=4 2550 B7R0.3 COCC\C(N)=N/O Amb19890177 [1,1,0,0,0,0|2,0,0]=4 2551 B7R0.3 COCC\C(N)=N/O Amb2696139 [1,1,0,0,0,0|2,0,0]=4 2552 B7R0.3 COCC\C(N)=N\O Amb22490466 [1,1,0,0,0,0|2,0,0]=4 2553 B7R0.3 COCC\C(N)=N\O Amb8384548 [1,1,0,0,0,0|2,0,0]=4 2554 B7R0.3 COCNC(=O)OC Amb27253203 [1,1,0,0,0,0|2,0,0]=4 2555 B7R0.3 CO\C(C)=C\CC=O Amb28283269 [1,1,0,0,0,0|0,0,2]=4 2556 B7R0.3 CSC(=O)CCCCl Amb27249585 [1,1,0,0,0,0|1,0,1]=4 2557 B7R0.3 CSCCC(=O)CCl Amb25910902 [1,1,0,0,0,0|2,0,0]=4 2558 B7R0.3 CSCCC(=O)CF Amb28316167 [1,1,0,0,0,0|2,0,0]=4 2559 B7R0.3 CSCCC(=O)CN Amb33199125 [1,1,0,0,0,0|2,0,0]=4 2560 B7R0.3 CSCC\C(N)=N\O Amb25127504 [1,1,0,0,0,0|2,0,0]=4 2561 B7R0.3 C\C(C=O)=C/CC=O Amb27236148 [1,1,0,0,0,0|0,0,1]=3 2562 B7R0.3 C\C(C=O)=C/CCO Amb28255738 [1,1,0,0,0,0|0,0,2]=4 2563 B7R0.3 C\C(CCCO)=N/O Amb28207168 [1,1,0,0,0,0|0,0,2]=4 2564 B7R0.3 C\C=C\CC(=N)NO Amb26582540 [1,1,0,0,0,0|1,0,1]=4 2565 B7R0.3 C\C=C\CC(=N)OC Amb28058157 [1,1,0,0,0,0|1,0,1]=4 2566 B7R0.3 C\C=C\CC(=O)OC Amb8394879 [1,1,0,0,0,0|0,0,1]=3 2567 B7R0.3 C\C=C\NC(=O)OC Amb27838402 [1,1,0,0,0,0|1,0,1]=4 2568 B7R0.3 N#CCCC(=O)CN Amb27240440 [1,1,0,0,0,0|1,0,1]=4 2569 B7R0.3 NCC(=O)NCCO Amb9023087 [1,1,0,0,0,0|1,0,1]=4 2570 B7R0.3 NCC(O)CCC=O Amb27855481 [1,1,0,0,0,0|0,0,2]=4 2571 B7R0.3 NNC(=O)CCCO Amb535400 [1,1,0,0,0,0|1,0,1]=4 2572 B7R0.3 NNC(=O)CCNO Amb25128022 [1,1,0,0,0,0|2,0,0]=4 2573 B7R0.3 NNC(=O)CNC=O Amb28364902 [1,1,0,0,0,0|2,0,0]=4 2574 B7R0.3 O=C(CBr)CCCBr Amb27153779 [1,1,0,0,0,0|1,0,1]=4 2575 B7R0.3 O=C(CBr)CCCCl Amb27875989 [1,1,0,0,0,0|1,0,1]=4 2576 B7R0.3 O=C(CCCCl)NO Amb28061167 [1,1,0,0,0,0|1,0,1]=4 2577 B7R0.3 O=C(CCCF)NO Amb28185008 [1,1,0,0,0,0|1,0,1]=4 2578 B7R0.3 O=C(CCl)CCCBr Amb22395325 [1,1,0,0,0,0|1,0,1]=4 2579 B7R0.3 O=C(CCl)CCCCl Amb22395285 [1,1,0,0,0,0|1,0,1]=4 2580 B7R0.3 O=C(CCl)NCCO Amb5716292 [1,1,0,0,0,0|1,0,1]=4 2581 B7R0.3 O=C(CO)CCCO Amb27227084 [1,1,0,0,0,0|0,0,1]=3 2582 B7R0.3 O=C(CO)NCCO Amb5798091 [1,1,0,0,0,0|1,0,1]=4 2583 B7R0.3 O=C(CS)OCCO Amb26476359 [1,1,0,0,0,0|1,0,1]=4 2584 B7R0.3 O=CC(=O)CCCO Amb27751348 [1,1,0,0,0,0|0,0,2]=4 2585 B7R0.3 O=CCCC(=O)CO Amb27799816 [1,1,0,0,0,0|0,0,0]=2 2586 B7R0.3 O=CCCC(Cl)C=O Amb27232955 [1,1,0,0,0,0|1,0,1]=4 2587 B7R0.3 O=CCC\C(Cl)=N\O Amb27751320 [1,1,0,0,0,0|1,0,0]=3 2588 B7R0.3 O=CC\C=C(/Cl)C=O Amb27401185 [1,1,0,0,0,0|1,0,1]=4 2589 B7R0.3 O=C\C=C\C(=O)CO Amb24574003 [1,1,0,0,0,0|0,0,2]=4 2590 B7R0.3 [C-]#[N+]CCC(=O)OC Amb2689499 [1,1,0,0,0,0|1,0,1]=4 2591 B7R0.4 C#CCCCC(=O)O Amb2721705 [1,1,0,0,0,0|0,0,2]=4 2592 B7R0.4 C#CCCCC(C)=O Amb18115312 [1,1,0,0,0,0|1,0,1]=4 2593 B7R0.4 C#CCCNC(C)=O Amb21942373 [1,1,0,0,0,0|1,0,1]=4 2594 B7R0.4 C#CCNCC(=O)O Amb33551387 [1,1,0,0,0,0|0,0,2]=4 2595 B7R0.4 C#CCNCC(=O)O Amb6740302 [1,1,0,0,0,0|0,0,2]=4 2596 B7R0.4 C#CCOCC(=O)O Amb9208655 [1,1,0,0,0,0|0,0,2]=4 2597 B7R0.4 C#CCOCC(C)=O Amb3987398 [1,1,0,0,0,0|1,0,1]=4 2598 B7R0.4 C#CCSCC(=O)O Amb2372297 [1,1,0,0,0,0|0,0,2]=4 2599 B7R0.4 C=C(C)CC#CC=O Amb28316110 [1,1,0,0,0,0|1,0,1]=4 2600 B7R0.4 C=C(C)CCCCO Amb26872404 [1,1,0,0,0,0|1,0,1]=4 2601 B7R0.4 C=C(C)CCN=C=O Amb33199902 [1,1,0,0,0,0|1,0,1]=4 2602 B7R0.4 C=C(C)CCNC=O Amb27228134 [1,1,0,0,0,0|1,0,0]=3 2603 B7R0.4 C=C(C)CC\C=C\C Amb25746764 [1,1,0,0,0,0|2,0,0]=4 2604 B7R0.4 C=C(C)COCC=O Amb27949608 [1,1,0,0,0,0|1,0,0]=3 2605 B7R0.4 C=C(C)COCCO Amb27452088 [1,1,0,0,0,0|1,0,1]=4 2606 B7R0.4 C=C(C)CONC=O Amb27620967 [1,1,0,0,0,0|2,0,0]=4 2607 B7R0.4 C=C(C)C\C=C\C=O Amb18640955 [1,1,0,0,0,0|1,0,1]=4 2608 B7R0.4 C=C(C)C\C=C\CO Amb27181043 [1,1,0,0,0,0|1,0,1]=4 2609 B7R0.4 C=C(Cl)CCCC=O Amb27751311 [1,1,0,0,0,0|1,0,1]=4 2610 B7R0.4 C=C=CCCC(C)=O Amb28315801 [1,1,0,0,0,0|1,0,0]=3 2611 B7R0.4 C=C=CSCC(=O)O Amb27812092 [1,1,0,0,0,0|1,0,1]=4 2612 B7R0.4 C=CC#CCC(=O)O Amb27162652 [1,1,0,0,0,0|0,0,2]=4 2613 B7R0.4 C=CCC#CC(=O)O Amb28252724 [1,1,0,0,0,0|0,0,2]=4 2614 B7R0.4 C=CCCC=C(C)C Amb25789441 [1,1,0,0,0,0|2,0,0]=4 2615 B7R0.4 C=CCCCC(=O)Cl Amb8392411 [1,1,0,0,0,0|1,0,1]=4 2616 B7R0.4 C=CCCCC(=O)O Amb3941675 [1,1,0,0,0,0|0,0,1]=3 2617 B7R0.4 C=CCCCC(C)=O Amb17593171 [1,1,0,0,0,0|1,0,0]=3 2618 B7R0.4 C=CCCNC(N)=O Amb25789999 [1,1,0,0,0,0|1,0,1]=4 2619 B7R0.4 C=CCCOC(=O)Cl Amb10844792 [1,1,0,0,0,0|1,0,1]=4 2620 B7R0.4 C=CCCOC(C)=O Amb3940828 [1,1,0,0,0,0|1,0,0]=3 2621 B7R0.4 C=CCCSC(C)=O Amb24117956 [1,1,0,0,0,0|1,0,0]=3 2622 B7R0.4 C=CCNCC(=C)C Amb17308750 [1,1,0,0,0,0|2,0,0]=4 2623 B7R0.4 C=CCNCC(=O)O Amb7766404 [1,1,0,0,0,0|0,0,1]=3 2624 B7R0.4 C=CCNCC(=O)O Amb8631497 [1,1,0,0,0,0|0,0,1]=3 2625 B7R0.4 C=CCNCC(N)=O Amb6706481 [1,1,0,0,0,0|1,0,1]=4 2626 B7R0.4 C=CCOCC(=C)C Amb26398441 [1,1,0,0,0,0|2,0,0]=4 2627 B7R0.4 C=CCOCC(=O)O Amb9208694 [1,1,0,0,0,0|0,0,1]=3 2628 B7R0.4 C=CCOCC(C)=O Amb27829146 [1,1,0,0,0,0|1,0,0]=3 2629 B7R0.4 C=CCOCC(N)=O Amb26859258 [1,1,0,0,0,0|1,0,1]=4 2630 B7R0.4 C=CCSCC(=C)C Amb28127803 [1,1,0,0,0,0|2,0,0]=4 2631 B7R0.4 C=CCSCC(=O)O Amb33526723 [1,1,0,0,0,0|0,0,1]=3 2632 B7R0.4 C=CNCCC(=O)O Amb27429817 [1,1,0,0,0,0|0,0,1]=3 2633 B7R0.4 C=COCCC(=O)O Amb28350126 [1,1,0,0,0,0|0,0,1]=3 2634 B7R0.4 C=C\C=C\CC(=O)O Amb34916435 [1,1,0,0,0,0|0,0,2]=4 2635 B7R0.4 CC#CCCC(=O)O Amb3987196 [1,1,0,0,0,0|0,0,1]=3 2636 B7R0.4 CC(=N)NCCCO Amb27967298 [1,1,0,0,0,0|1,0,1]=4 2637 B7R0.4 CC(=O)C#CCCO Amb28316149 [1,1,0,0,0,0|0,0,2]=4 2638 B7R0.4 CC(=O)C=C=CCO Amb28284681 [1,1,0,0,0,0|0,0,2]=4 2639 B7R0.4 CC(=O)CCCC#N Amb17106756 [1,1,0,0,0,0|1,0,1]=4 2640 B7R0.4 CC(=O)CCCCBr Amb16234126 [1,1,0,0,0,0|1,0,1]=4 2641 B7R0.4 CC(=O)CCCCCl Amb3941549 [1,1,0,0,0,0|1,0,1]=4 2642 B7R0.4 CC(=O)CCCCF Amb27490855 [1,1,0,0,0,0|1,0,1]=4 2643 B7R0.4 CC(=O)CCCCN Amb27401218 [1,1,0,0,0,0|1,0,1]=4 2644 B7R0.4 CC(=O)CCCCO Amb10603864 [1,1,0,0,0,0|0,0,1]=3 2645 B7R0.4 CC(=O)CCN=[N+]=[N-] Amb18522048 [1,1,0,0,0,0|2,0,0]=4 2646 B7R0.4 CC(=O)CCSC#N Amb28062990 [1,1,0,0,0,0|1,0,1]=4 2647 B7R0.4 CC(=O)CC\C=N\O Amb27656180 [1,1,0,0,0,0|0,0,0]=2 2648 B7R0.4 CC(=O)CNOCO Amb27244723 [1,1,0,0,0,0|1,0,1]=4 2649 B7R0.4 CC(=O)COCCCl Amb25346574 [1,1,0,0,0,0|1,0,1]=4 2650 B7R0.4 CC(=O)COCCF Amb27463527 [1,1,0,0,0,0|1,0,1]=4 2651 B7R0.4 CC(=O)COCCO Amb28122841 [1,1,0,0,0,0|0,0,1]=3 2652 B7R0.4 CC(=O)CSCCF Amb24621173 [1,1,0,0,0,0|1,0,1]=4 2653 B7R0.4 CC(=O)CSCCN Amb17500454 [1,1,0,0,0,0|1,0,1]=4 2654 B7R0.4 CC(=O)CSCCO Amb4165952 [1,1,0,0,0,0|0,0,1]=3 2655 B7R0.4 CC(=O)CS\C=N\O Amb27973055 [1,1,0,0,0,0|1,0,0]=3 2656 B7R0.4 CC(=O)C\C=C\C=O Amb27165276 [1,1,0,0,0,0|0,0,1]=3 2657 B7R0.4 CC(=O)NCCC#N Amb5787037 [1,1,0,0,0,0|1,0,1]=4 2658 B7R0.4 CC(=O)NCCC=O Amb17102165 [1,1,0,0,0,0|0,0,0]=2 2659 B7R0.4 CC(=O)NCCCBr Amb8826231 [1,1,0,0,0,0|1,0,1]=4 2660 B7R0.4 CC(=O)NCCCCl Amb3886559 [1,1,0,0,0,0|1,0,1]=4 2661 B7R0.4 CC(=O)NCCCN Amb10610286 [1,1,0,0,0,0|1,0,1]=4 2662 B7R0.4 CC(=O)NCCCN Amb6664982 [1,1,0,0,0,0|1,0,1]=4 2663 B7R0.4 CC(=O)NCCCO Amb3429354 [1,1,0,0,0,0|0,0,1]=3 2664 B7R0.4 CC(=O)NCCNN Amb24117179 [1,1,0,0,0,0|2,0,0]=4 2665 B7R0.4 CC(=O)NCCON Amb17138368 [1,1,0,0,0,0|1,0,1]=4 2666 B7R0.4 CC(=O)NOCCO Amb27484242 [1,1,0,0,0,0|1,0,1]=4 2667 B7R0.4 CC(=O)OCCCBr Amb26515737 [1,1,0,0,0,0|1,0,1]=4 2668 B7R0.4 CC(=O)OCCCCl Amb3940269 [1,1,0,0,0,0|1,0,1]=4 2669 B7R0.4 CC(=O)OCCCO Amb25854267 [1,1,0,0,0,0|0,0,1]=3 2670 B7R0.4 CC(=O)OCCCS Amb4018773 [1,1,0,0,0,0|0,1,1]=4 2671 B7R0.4 CC(=O)OCCNN Amb27769313 [1,1,0,0,0,0|2,0,0]=4 2672 B7R0.4 CC(=O)OC\C=C/Br Amb26652075 [1,1,0,0,0,0|1,0,1]=4 2673 B7R0.4 CC(=O)OC\C=C/Cl Amb27843145 [1,1,0,0,0,0|1,0,1]=4 2674 B7R0.4 CC(=O)OC\C=C\Br Amb27467221 [1,1,0,0,0,0|1,0,1]=4 2675 B7R0.4 CC(=O)SCCC#N Amb22351951 [1,1,0,0,0,0|1,0,1]=4 2676 B7R0.4 CC(=O)SCCC=O Amb25101351 [1,1,0,0,0,0|0,0,0]=2 2677 B7R0.4 CC(=O)SCCCBr Amb17610077 [1,1,0,0,0,0|1,0,1]=4 2678 B7R0.4 CC(=O)SCCCCl Amb3940270 [1,1,0,0,0,0|1,0,1]=4 2679 B7R0.4 CC(=O)\C=C\CCO Amb26479998 [1,1,0,0,0,0|0,0,2]=4 2680 B7R0.4 CC(=S)OCCCO Amb28381661 [1,1,0,0,0,0|0,1,1]=4 2681 B7R0.4 CC(C)=CCCC=O Amb17593168 [1,1,0,0,0,0|1,0,0]=3 2682 B7R0.4 CC(C)=CCCCO Amb26478086 [1,1,0,0,0,0|1,0,1]=4 2683 B7R0.4 CC(C)=CCNC=O Amb27838354 [1,1,0,0,0,0|1,0,1]=4 2684 B7R0.4 CC(C)CCCC=O Amb17940235 [1,1,0,0,0,0|1,0,1]=4 2685 B7R0.4 CC(C)CCNC=O Amb27460935 [1,1,0,0,0,0|1,0,1]=4 2686 B7R0.4 CC(C)OCCC=O Amb26443003 [1,1,0,0,0,0|1,0,1]=4 2687 B7R0.4 CC(Cl)CCCC=O Amb27983674 [1,1,0,0,0,0|1,0,1]=4 2688 B7R0.4 CC(O)CCCC=O Amb18641887 [1,1,0,0,0,0|0,0,2]=4 2689 B7R0.4 CCC#CCC(=O)O Amb26515701 [1,1,0,0,0,0|0,0,2]=4 2690 B7R0.4 CCCC#CC(=O)O Amb2721706 [1,1,0,0,0,0|0,0,2]=4 2691 B7R0.4 CCCCCC(=O)F Amb26061517 [1,1,0,0,0,0|1,0,1]=4 2692 B7R0.4 CCCCCC(=O)O Amb3939846 [1,1,0,0,0,0|0,0,1]=3 2693 B7R0.4 CCCCCC(=O)[O-] Amb22337624 [1,1,0,0,0,0|0,0,2]=4 2694 B7R0.4 CCCCCC(C)=O Amb6608885 [1,1,0,0,0,0|1,0,1]=4 2695 B7R0.4 CCCCNC(=O)Cl Amb24574309 [1,1,0,0,0,0|1,0,1]=4 2696 B7R0.4 CCCCNC(C)=O Amb5835711 [1,1,0,0,0,0|1,0,1]=4 2697 B7R0.4 CCCCNC(N)=O Amb6663202 [1,1,0,0,0,0|1,0,1]=4 2698 B7R0.4 CCCCOC(=O)Cl Amb6608833 [1,1,0,0,0,0|1,0,1]=4 2699 B7R0.4 CCCCOC(C)=O Amb6608782 [1,1,0,0,0,0|1,0,1]=4 2700 B7R0.4 CCCCOC(N)=O Amb4136361 [1,1,0,0,0,0|1,0,1]=4 2701 B7R0.4 CCCCO[PH](=O)O Amb26035392 [1,1,0,0,0,0|1,0,1]=4 2702 B7R0.4 CCCCSC(=O)Cl Amb22352826 [1,1,0,0,0,0|1,0,1]=4 2703 B7R0.4 CCCNCC(=O)O Amb10609640 [1,1,0,0,0,0|0,0,1]=3 2704 B7R0.4 CCCNCC(=O)O Amb1110628 [1,1,0,0,0,0|0,0,1]=3 2705 B7R0.4 CCCNCC(C)=O Amb26954588 [1,1,0,0,0,0|1,0,1]=4 2706 B7R0.4 CCCNCC(N)=O Amb1124632 [1,1,0,0,0,0|1,0,1]=4 2707 B7R0.4 CCCNCC(N)=O Amb28934788 [1,1,0,0,0,0|1,0,1]=4 2708 B7R0.4 CCCOCC(=O)Cl Amb27260778 [1,1,0,0,0,0|1,0,1]=4 2709 B7R0.4 CCCOCC(=O)O Amb8874504 [1,1,0,0,0,0|0,0,1]=3 2710 B7R0.4 CCCOCC(N)=O Amb27844884 [1,1,0,0,0,0|1,0,1]=4 2711 B7R0.4 CCCSCC(=O)O Amb1137113 [1,1,0,0,0,0|0,0,1]=3 2712 B7R0.4 CCCSCC(C)=O Amb9668676 [1,1,0,0,0,0|1,0,1]=4 2713 B7R0.4 CCCSCC(N)=O Amb27424658 [1,1,0,0,0,0|1,0,1]=4 2714 B7R0.4 CCC\C=C\C(=O)O Amb2688715 [1,1,0,0,0,0|0,0,2]=4 2715 B7R0.4 CCNCCC(=O)O Amb28934794 [1,1,0,0,0,0|0,0,1]=3 2716 B7R0.4 CCNCCC(=O)O Amb7766402 [1,1,0,0,0,0|0,0,1]=3 2717 B7R0.4 CCNCCC(C)=O Amb18641851 [1,1,0,0,0,0|1,0,1]=4 2718 B7R0.4 CCNCCC(N)=O Amb33533384 [1,1,0,0,0,0|1,0,1]=4 2719 B7R0.4 CCNCCC(N)=O Amb35749820 [1,1,0,0,0,0|1,0,1]=4 2720 B7R0.4 CCNNCC(=O)O Amb28326075 [1,1,0,0,0,0|1,0,1]=4 2721 B7R0.4 CCOCCC(=O)Cl Amb20672027 [1,1,0,0,0,0|1,0,1]=4 2722 B7R0.4 CCOCCC(=O)O Amb3939859 [1,1,0,0,0,0|0,0,1]=3 2723 B7R0.4 CCOCCC(C)=O Amb7764636 [1,1,0,0,0,0|1,0,1]=4 2724 B7R0.4 CCSCCC(=O)O Amb6273140 [1,1,0,0,0,0|0,0,1]=3 2725 B7R0.4 CCSCCC(C)=O Amb9655821 [1,1,0,0,0,0|1,0,1]=4 2726 B7R0.4 CCSCCC(N)=O Amb27258252 [1,1,0,0,0,0|1,0,1]=4 2727 B7R0.4 CC\C=C/CC(=O)O Amb2720526 [1,1,0,0,0,0|0,0,1]=3 2728 B7R0.4 CC\C=C/CC(C)=O Amb27974504 [1,1,0,0,0,0|1,0,1]=4 2729 B7R0.4 CC\C=C\CC(=O)Cl Amb27228151 [1,1,0,0,0,0|1,0,1]=4 2730 B7R0.4 CC\C=C\CC(=O)O Amb3940332 [1,1,0,0,0,0|0,0,1]=3 2731 B7R0.4 CC\C=C\CC(C)=O Amb25953857 [1,1,0,0,0,0|1,0,1]=4 2732 B7R0.4 CC\C=C\C[PH](=O)O Amb8391288 [1,1,0,0,0,0|1,0,1]=4 2733 B7R0.4 CN(C)CCCC=O Amb22753951 [1,1,0,0,0,0|2,0,0]=4 2734 B7R0.4 CN(C)CCCC=O Amb24117840 [1,1,0,0,0,0|2,0,0]=4 2735 B7R0.4 CNCC#CC(=O)O Amb27218273 [1,1,0,0,0,0|1,0,1]=4 2736 B7R0.4 CNCCCC(=O)O Amb1153115 [1,1,0,0,0,0|0,0,1]=3 2737 B7R0.4 CNCCCC(=O)O Amb4521435 [1,1,0,0,0,0|0,0,1]=3 2738 B7R0.4 CNCCCC(C)=O Amb27838406 [1,1,0,0,0,0|1,0,1]=4 2739 B7R0.4 CNCCCC(N)=O Amb18303611 [1,1,0,0,0,0|1,0,1]=4 2740 B7R0.4 CNCCCC(N)=O Amb31307731 [1,1,0,0,0,0|1,0,1]=4 2741 B7R0.4 CNCCNC(C)=O Amb28934797 [1,1,0,0,0,0|2,0,0]=4 2742 B7R0.4 CNCCNC(C)=O Amb9256137 [1,1,0,0,0,0|2,0,0]=4 2743 B7R0.4 CNCCNC(N)=O Amb18299975 [1,1,0,0,0,0|2,0,0]=4 2744 B7R0.4 CNCCOC(C)=O Amb18124262 [1,1,0,0,0,0|2,0,0]=4 2745 B7R0.4 CNCCOC(C)=O Amb33621071 [1,1,0,0,0,0|2,0,0]=4 2746 B7R0.4 CNCCOC(N)=O Amb25136928 [1,1,0,0,0,0|2,0,0]=4 2747 B7R0.4 CNCCOC(N)=O Amb32693459 [1,1,0,0,0,0|2,0,0]=4 2748 B7R0.4 CNC\C=C\C(=O)O Amb25368293 [1,1,0,0,0,0|1,0,1]=4 2749 B7R0.4 COCC#CC(=O)O Amb33544473 [1,1,0,0,0,0|1,0,1]=4 2750 B7R0.4 COCCCC(=O)O Amb6275629 [1,1,0,0,0,0|0,0,1]=3 2751 B7R0.4 COCCCC(C)=O Amb9031556 [1,1,0,0,0,0|0,0,1]=3 2752 B7R0.4 COCCNC(C)=O Amb3358082 [1,1,0,0,0,0|1,0,1]=4 2753 B7R0.4 COCCNC(N)=O Amb1104938 [1,1,0,0,0,0|2,0,0]=4 2754 B7R0.4 COCCOC(=O)Cl Amb2689125 [1,1,0,0,0,0|2,0,0]=4 2755 B7R0.4 COCCOC(C)=O Amb4037074 [1,1,0,0,0,0|1,0,1]=4 2756 B7R0.4 COCCOC(N)=O Amb25054225 [1,1,0,0,0,0|2,0,0]=4 2757 B7R0.4 COCOCC(=O)O Amb28059312 [1,1,0,0,0,0|1,0,0]=3 2758 B7R0.4 COCSCC(=O)O Amb27466837 [1,1,0,0,0,0|1,0,0]=3 2759 B7R0.4 COC\C=C\C(=O)O Amb33986212 [1,1,0,0,0,0|1,0,1]=4 2760 B7R0.4 CONCCS(C)=O Amb27469149 [1,1,0,0,0,0|2,0,0]=4 2761 B7R0.4 CO\C=C/NC(C)=O Amb27391649 [1,1,0,0,0,0|1,0,1]=4 2762 B7R0.4 CO\C=C\NC(C)=O Amb28198239 [1,1,0,0,0,0|1,0,1]=4 2763 B7R0.4 CS(=O)CCCON Amb28324081 [1,1,0,0,0,0|1,0,1]=4 2764 B7R0.4 CS(=O)CCN=C=O Amb27169747 [1,1,0,0,0,0|1,0,1]=4 2765 B7R0.4 CSCCCC(=O)O Amb17503622 [1,1,0,0,0,0|0,0,1]=3 2766 B7R0.4 CSCCCC(C)=O Amb25122381 [1,1,0,0,0,0|0,1,1]=4 2767 B7R0.4 CSCCNC(=O)Cl Amb29882959 [1,1,0,0,0,0|2,0,0]=4 2768 B7R0.4 CSCCNC(C)=O Amb8504699 [1,1,0,0,0,0|2,0,0]=4 2769 B7R0.4 CSCCNC(N)=O Amb27424586 [1,1,0,0,0,0|2,0,0]=4 2770 B7R0.4 CSCCSC(C)=O Amb27635033 [1,1,0,0,0,0|2,0,0]=4 2771 B7R0.4 CSCSCC(=O)O Amb27858824 [1,1,0,0,0,0|1,0,0]=3 2772 B7R0.4 CSSCCC(=O)O Amb26848465 [1,1,0,0,0,0|1,0,0]=3 2773 B7R0.4 CS\C=C\CC(=O)O Amb26656267 [1,1,0,0,0,0|0,0,1]=3 2774 B7R0.4 C\C(Cl)=C\CCC=O Amb27792418 [1,1,0,0,0,0|1,0,0]=3 2775 B7R0.4 C\C(Cl)=C\CCCO Amb27211291 [1,1,0,0,0,0|1,0,1]=4 2776 B7R0.4 C\C=C\C#CC(=O)O Amb17593127 [1,1,0,0,0,0|0,0,2]=4 2777 B7R0.4 C\C=C\C=C\C(=O)O Amb17784698 [1,1,0,0,0,0|0,0,2]=4 2778 B7R0.4 C\C=C\CCC(=O)O Amb34910859 [1,1,0,0,0,0|0,0,0]=2 2779 B7R0.4 C\C=C\CCC(C)=O Amb9031579 [1,1,0,0,0,0|1,0,0]=3 2780 B7R0.4 C\C=C\CCC(C)O Amb32665057 [1,1,0,0,0,0|1,0,1]=4 2781 B7R0.4 C\C=C\CC[C@@H](C)O Amb27652940 [1,1,0,0,0,0|1,0,1]=4 2782 B7R0.4 C\C=C\CNC(=O)S Amb26417290 [1,1,0,0,0,0|0,1,1]=4 2783 B7R0.4 C\C=C\COC(C)=O Amb6366590 [1,1,0,0,0,0|1,0,1]=4 2784 B7R0.4 N#CCCCC(=O)O Amb33542831 [1,1,0,0,0,0|0,0,2]=4 2785 B7R0.4 N#CCSCC(=O)O Amb6243720 [1,1,0,0,0,0|1,0,1]=4 2786 B7R0.4 N#CNCCC(=O)O Amb30031691 [1,1,0,0,0,0|1,0,1]=4 2787 B7R0.4 NC(=O)CCCCBr Amb27875083 [1,1,0,0,0,0|1,0,1]=4 2788 B7R0.4 NC(=O)CCCCCl Amb7782532 [1,1,0,0,0,0|1,0,1]=4 2789 B7R0.4 NC(=O)CCCCO Amb3939470 [1,1,0,0,0,0|1,0,1]=4 2790 B7R0.4 NC(=O)CCCCS Amb27839239 [1,1,0,0,0,0|1,0,1]=4 2791 B7R0.4 NC(=O)CCSCCl Amb27430706 [1,1,0,0,0,0|2,0,0]=4 2792 B7R0.4 NC(=O)CC\C=C\Cl Amb25173831 [1,1,0,0,0,0|1,0,1]=4 2793 B7R0.4 NC(=O)CNCCO Amb6714605 [1,1,0,0,0,0|1,0,1]=4 2794 B7R0.4 NC(=O)CSCCO Amb6754148 [1,1,0,0,0,0|1,0,1]=4 2795 B7R0.4 NC(=O)NCCCO Amb9248133 [1,1,0,0,0,0|1,0,1]=4 2796 B7R0.4 NC(=O)NCCN=O Amb27796959 [1,1,0,0,0,0|2,0,0]=4 2797 B7R0.4 NC(=S)CCNC=O Amb27395809 [1,1,0,0,0,0|1,1,0]=4 2798 B7R0.4 NC(=S)SCCC=O Amb27839069 [1,1,0,0,0,0|1,1,0]=4 2799 B7R0.4 NCC#CCC(=O)O Amb27976019 [1,1,0,0,0,0|0,0,2]=4 2800 B7R0.4 NCCCCC(=O)Cl Amb26599615 [1,1,0,0,0,0|1,0,1]=4 2801 B7R0.4 NCCCCC(=O)O Amb2780021 [1,1,0,0,0,0|0,0,1]=3 2802 B7R0.4 NCCCCC(=O)O Amb3941646 [1,1,0,0,0,0|0,0,1]=3 2803 B7R0.4 NCCCCC(=O)O Amb9825855 [1,1,0,0,0,0|0,0,1]=3 2804 B7R0.4 NCCCCC(N)=O Amb18641897 [1,1,0,0,0,0|1,0,1]=4 2805 B7R0.4 NCCCCC(N)=O Amb33552086 [1,1,0,0,0,0|1,0,1]=4 2806 B7R0.4 NCCCCS(=O)O Amb27882127 [1,1,0,0,0,0|1,0,1]=4 2807 B7R0.4 NCCCNC(=O)O Amb24093884 [1,1,0,0,0,0|1,0,1]=4 2808 B7R0.4 NCCNCC(=O)O Amb17608063 [1,1,0,0,0,0|1,0,1]=4 2809 B7R0.4 NCCNCC(=O)O Amb33339058 [1,1,0,0,0,0|1,0,1]=4 2810 B7R0.4 NCCOCC(=O)O Amb18630146 [1,1,0,0,0,0|1,0,1]=4 2811 B7R0.4 NCCOCC(=O)O Amb33550947 [1,1,0,0,0,0|1,0,1]=4 2812 B7R0.4 NCCSCC(=O)O Amb17500446 [1,1,0,0,0,0|1,0,1]=4 2813 B7R0.4 NCCSCC(=O)O Amb20622325 [1,1,0,0,0,0|1,0,1]=4 2814 B7R0.4 NOCCCC(=O)O Amb10975956 [1,1,0,0,0,0|0,0,2]=4 2815 B7R0.4 NOCCCC(=O)O Amb22011795 [1,1,0,0,0,0|0,0,2]=4 2816 B7R0.4 NOCCCC(=O)O Amb31283653 [1,1,0,0,0,0|0,0,2]=4 2817 B7R0.4 O=C(Cl)CCCCBr Amb2685557 [1,1,0,0,0,0|1,0,1]=4 2818 B7R0.4 O=C(Cl)CCCCCl Amb6296596 [1,1,0,0,0,0|1,0,1]=4 2819 B7R0.4 O=C(O)CCCCBr Amb6608763 [1,1,0,0,0,0|0,0,1]=3 2820 B7R0.4 O=C(O)CCCCCl Amb3940369 [1,1,0,0,0,0|0,0,1]=3 2821 B7R0.4 O=C(O)CCCCF Amb26639920 [1,1,0,0,0,0|0,0,1]=3 2822 B7R0.4 O=C(O)CCCCO Amb9214971 [1,1,0,0,0,0|0,0,1]=3 2823 B7R0.4 O=C(O)CCCCS Amb17503767 [1,1,0,0,0,0|0,0,1]=3 2824 B7R0.4 O=C(O)CCCNCl Amb27173950 [1,1,0,0,0,0|1,0,1]=4 2825 B7R0.4 O=C(O)CCN=C=S Amb24562253 [1,1,0,0,0,0|0,1,1]=4 2826 B7R0.4 O=C(O)CC\C=C\Br Amb25238247 [1,1,0,0,0,0|0,0,1]=3 2827 B7R0.4 O=C(O)CC\C=N\O Amb27211579 [1,1,0,0,0,0|0,0,1]=3 2828 B7R0.4 O=C(O)CNCCF Amb28076282 [1,1,0,0,0,0|1,0,1]=4 2829 B7R0.4 O=C(O)CNCCO Amb9325653 [1,1,0,0,0,0|0,0,2]=4 2830 B7R0.4 O=C(O)COCCCl Amb21857870 [1,1,0,0,0,0|1,0,1]=4 2831 B7R0.4 O=C(O)COCCF Amb27866609 [1,1,0,0,0,0|1,0,1]=4 2832 B7R0.4 O=C(O)COCCO Amb6680914 [1,1,0,0,0,0|0,0,2]=4 2833 B7R0.4 O=C(O)CSCCCl Amb18644703 [1,1,0,0,0,0|1,0,1]=4 2834 B7R0.4 O=C(O)CSSCCl Amb27983630 [1,1,0,0,0,0|2,0,0]=4 2835 B7R0.4 O=C(O)C\C=C/CS Amb18124361 [1,1,0,0,0,0|0,0,1]=3 2836 B7R0.4 O=C(O)C\C=C\CO Amb28429811 [1,1,0,0,0,0|0,0,1]=3 2837 B7R0.4 O=C(O)C\C=C\CS Amb24693621 [1,1,0,0,0,0|0,0,1]=3 2838 B7R0.4 O=C([O-])CCCCF Amb33527827 [1,1,0,0,0,0|0,0,2]=4 2839 B7R0.4 O=C([O-])CCCCO Amb13952763 [1,1,0,0,0,0|0,0,2]=4 2840 B7R0.4 O=C([O-])CCCCO Amb22749314 [1,1,0,0,0,0|0,0,2]=4 2841 B7R0.4 O=C([O-])COCCO Amb33553026 [1,1,0,0,0,0|1,0,1]=4 2842 B7R0.4 O=C=NCCC(=O)Cl Amb17593404 [1,1,0,0,0,0|1,0,1]=4 2843 B7R0.4 O=C=NCCC(=O)O Amb26053417 [1,1,0,0,0,0|0,0,1]=3 2844 B7R0.4 O=CCCCC(=O)O Amb17593198 [1,1,0,0,0,0|0,0,0]=2 2845 B7R0.4 O=CCCCC(O)O Amb25889261 [1,1,0,0,0,0|0,0,2]=4 2846 B7R0.4 O=CNCCC(=O)O Amb18290434 [1,1,0,0,0,0|0,0,0]=2 2847 B7R0.4 O=CNOCC(=O)O Amb27477273 [1,1,0,0,0,0|1,0,0]=3 2848 B7R0.4 O=NSCCC(=O)O Amb28429846 [1,1,0,0,0,0|1,0,0]=3 2849 B7R0.4 [N-]=[N+]=NCCC(=O)O Amb20622326 [1,1,0,0,0,0|2,0,0]=4 2850 B7R0.5 C#CCC(C)C(=O)O Amb18633959 [1,1,0,0,0,0|0,0,2]=4 2851 B7R0.5 C#CCC(C)C(C)=O Amb27465169 [1,1,0,0,0,0|1,0,1]=4 2852 B7R0.5 C#CCC(F)C(C)=O Amb28249962 [1,1,0,0,0,0|1,0,1]=4 2853 B7R0.5 C#CCC(N)C(=O)O Amb19944472 [1,1,0,0,0,0|0,0,2]=4 2854 B7R0.5 C#CCC(N)C(=O)O Amb9721758 [1,1,0,0,0,0|0,0,2]=4 2855 B7R0.5 C#CCC(N)C(C)=O Amb27228190 [1,1,0,0,0,0|1,0,1]=4 2856 B7R0.5 C#CCC(O)C(=O)O Amb27154881 [1,1,0,0,0,0|0,0,2]=4 2857 B7R0.5 C#CCC(O)C(C)=O Amb27442415 [1,1,0,0,0,0|1,0,1]=4 2858 B7R0.5 C#CC[C@@H](N)C(=O)O Amb16183954 [1,1,0,0,0,0|0,0,2]=4 2859 B7R0.5 C#CC[C@@H](N)C(=O)O Amb22748688 [1,1,0,0,0,0|0,0,2]=4 2860 B7R0.5 C#CC[C@H](C)C(=O)O Amb10844036 [1,1,0,0,0,0|0,0,2]=4 2861 B7R0.5 C#CC[C@H](N)C(=O)O Amb8396606 [1,1,0,0,0,0|0,0,2]=4 2862 B7R0.5 C=C(C)C(=C)CC=O Amb28245848 [1,1,0,0,0,0|1,0,1]=4 2863 B7R0.5 C=C(C)C(C)CCO Amb27766618 [1,1,0,0,0,0|1,0,1]=4 2864 B7R0.5 C=C(C)C(N)CCO Amb27391185 [1,1,0,0,0,0|1,0,1]=4 2865 B7R0.5 C=C(CCC)C(=O)O Amb18641779 [1,1,0,0,0,0|0,0,2]=4 2866 B7R0.5 C=C(COC)C(=O)O Amb26978134 [1,1,0,0,0,0|1,0,1]=4 2867 B7R0.5 C=C(CSC)C(=O)O Amb26953041 [1,1,0,0,0,0|1,0,1]=4 2868 B7R0.5 C=C(O)C(O)\C=C\C Amb28140639 [1,1,0,0,0,0|1,0,1]=4 2869 B7R0.5 C=CCC(=C)C(=O)O Amb18641687 [1,1,0,0,0,0|0,0,2]=4 2870 B7R0.5 C=CCC(=O)C(=O)O Amb25890017 [1,1,0,0,0,0|0,0,2]=4 2871 B7R0.5 C=CCC(Br)C(=C)C Amb28397197 [1,1,0,0,0,0|2,0,0]=4 2872 B7R0.5 C=CCC(Br)C(C)=O Amb27760403 [1,1,0,0,0,0|1,0,0]=3 2873 B7R0.5 C=CCC(C)C(=O)O Amb33545044 [1,1,0,0,0,0|0,0,1]=3 2874 B7R0.5 C=CCC(C)C(C)=O Amb19373098 [1,1,0,0,0,0|1,0,0]=3 2875 B7R0.5 C=CCC(C)C(N)=O Amb27788519 [1,1,0,0,0,0|1,0,1]=4 2876 B7R0.5 C=CCC(Cl)C(=O)Cl Amb27463323 [1,1,0,0,0,0|1,0,1]=4 2877 B7R0.5 C=CCC(Cl)C(=O)O Amb25056173 [1,1,0,0,0,0|0,0,1]=3 2878 B7R0.5 C=CCC(F)C(=O)O Amb28071391 [1,1,0,0,0,0|0,0,1]=3 2879 B7R0.5 C=CCC(F)C(C)=O Amb19889753 [1,1,0,0,0,0|1,0,0]=3 2880 B7R0.5 C=CCC(N)C(=C)C Amb28316076 [1,1,0,0,0,0|2,0,0]=4 2881 B7R0.5 C=CCC(N)C(=O)Cl Amb27413912 [1,1,0,0,0,0|1,0,1]=4 2882 B7R0.5 C=CCC(N)C(=O)O Amb21856826 [1,1,0,0,0,0|0,0,1]=3 2883 B7R0.5 C=CCC(N)C(=O)O Amb9729145 [1,1,0,0,0,0|0,0,1]=3 2884 B7R0.5 C=CCC(N)C(C)=O Amb27194092 [1,1,0,0,0,0|1,0,0]=3 2885 B7R0.5 C=CCC(N)C(N)=O Amb26585896 [1,1,0,0,0,0|1,0,1]=4 2886 B7R0.5 C=CCC(O)C(=C)C Amb4035448 [1,1,0,0,0,0|2,0,0]=4 2887 B7R0.5 C=CCC(O)C(C)=O Amb26451431 [1,1,0,0,0,0|1,0,0]=3 2888 B7R0.5 C=CCN(Br)C(C)=O Amb28316145 [1,1,0,0,0,0|2,0,0]=4 2889 B7R0.5 C=CCN(C)C(C)=O Amb4318131 [1,1,0,0,0,0|2,0,0]=4 2890 B7R0.5 C=CC[C@@H](N)C(=O)O Amb22745310 [1,1,0,0,0,0|0,0,1]=3 2891 B7R0.5 C=CC[C@@H](N)C(=O)O Amb8389451 [1,1,0,0,0,0|0,0,1]=3 2892 B7R0.5 C=CC[C@@H](N)C(N)=O Amb27838370 [1,1,0,0,0,0|1,0,1]=4 2893 B7R0.5 C=CC[C@H](C)C(C)=O Amb26641913 [1,1,0,0,0,0|1,0,0]=3 2894 B7R0.5 C=CC[C@H](N)C(=O)Cl Amb28120452 [1,1,0,0,0,0|1,0,1]=4 2895 B7R0.5 C=CC[C@H](N)C(=O)O Amb10982568 [1,1,0,0,0,0|0,0,1]=3 2896 B7R0.5 C=CC[C@H](N)C(=O)O Amb2699115 [1,1,0,0,0,0|0,0,1]=3 2897 B7R0.5 CC#CC(C)C(=O)O Amb22748425 [1,1,0,0,0,0|0,0,2]=4 2898 B7R0.5 CC#CC(O)C(=O)O Amb27451308 [1,1,0,0,0,0|0,0,2]=4 2899 B7R0.5 CC(=O)C(=O)CC=O Amb24524264 [1,1,0,0,0,0|0,0,1]=3 2900 B7R0.5 CC(=O)C(=O)CCO Amb25074119 [1,1,0,0,0,0|0,0,2]=4 2901 B7R0.5 CC(=O)C(Br)CCBr Amb26442822 [1,1,0,0,0,0|1,0,1]=4 2902 B7R0.5 CC(=O)C(Br)CCO Amb27858653 [1,1,0,0,0,0|0,0,1]=3 2903 B7R0.5 CC(=O)C(C)CC#N Amb27403110 [1,1,0,0,0,0|1,0,1]=4 2904 B7R0.5 CC(=O)C(C)CCBr Amb26849777 [1,1,0,0,0,0|1,0,1]=4 2905 B7R0.5 CC(=O)C(C)CCCl Amb26326637 [1,1,0,0,0,0|1,0,1]=4 2906 B7R0.5 CC(=O)C(C)CCO Amb13881368 [1,1,0,0,0,0|0,0,1]=3 2907 B7R0.5 CC(=O)C(C)NC=O Amb23442778 [1,1,0,0,0,0|1,0,0]=3 2908 B7R0.5 CC(=O)C(C)OC=O Amb26492625 [1,1,0,0,0,0|1,0,0]=3 2909 B7R0.5 CC(=O)C(Cl)CC=O Amb18642970 [1,1,0,0,0,0|0,0,0]=2 2910 B7R0.5 CC(=O)C(Cl)CCBr Amb27259779 [1,1,0,0,0,0|1,0,1]=4 2911 B7R0.5 CC(=O)C(Cl)CCCl Amb20671951 [1,1,0,0,0,0|1,0,1]=4 2912 B7R0.5 CC(=O)C(Cl)CCO Amb4017890 [1,1,0,0,0,0|0,0,1]=3 2913 B7R0.5 CC(=O)C(F)CCBr Amb28429129 [1,1,0,0,0,0|1,0,1]=4 2914 B7R0.5 CC(=O)C(F)CCCl Amb27390864 [1,1,0,0,0,0|1,0,1]=4 2915 B7R0.5 CC(=O)C(N)CCO Amb25087112 [1,1,0,0,0,0|0,0,1]=3 2916 B7R0.5 CC(=O)C(S)CCO Amb25831127 [1,1,0,0,0,0|0,0,1]=3 2917 B7R0.5 CC(=O)N(C)CC=O Amb17080668 [1,1,0,0,0,0|1,0,0]=3 2918 B7R0.5 CC(=O)N(C)CCO Amb5797447 [1,1,0,0,0,0|1,0,1]=4 2919 B7R0.5 CC(=O)[C@@H](C)CC#N Amb26887655 [1,1,0,0,0,0|1,0,1]=4 2920 B7R0.5 CC(=O)[C@@H](N)CCO Amb28410323 [1,1,0,0,0,0|0,0,1]=3 2921 B7R0.5 CC(=O)[C@H](O)CC=O Amb27446551 [1,1,0,0,0,0|0,0,0]=2 2922 B7R0.5 CC(=O)\C(C)=C\C=O Amb28208341 [1,1,0,0,0,0|0,0,2]=4 2923 B7R0.5 CC(=O)\C(C)=N\C=O Amb28316244 [1,1,0,0,0,0|1,0,1]=4 2924 B7R0.5 CC(C)=C(C)CC=O Amb27625010 [1,1,0,0,0,0|1,0,1]=4 2925 B7R0.5 CC(C)C(C)CC=O Amb18641816 [1,1,0,0,0,0|1,0,1]=4 2926 B7R0.5 CC(C)C(N)CC=O Amb27628058 [1,1,0,0,0,0|1,0,1]=4 2927 B7R0.5 CC(C)[C@@H](C)CC=O Amb28388606 [1,1,0,0,0,0|1,0,1]=4 2928 B7R0.5 CC(CC#N)C(=O)O Amb17334056 [1,1,0,0,0,0|1,0,1]=4 2929 B7R0.5 CC(CC=O)C(=O)O Amb27952476 [1,1,0,0,0,0|0,0,0]=2 2930 B7R0.5 CC(CC=O)N(C)C Amb18203067 [1,1,0,0,0,0|2,0,0]=4 2931 B7R0.5 CC(CCBr)C(=O)O Amb27409152 [1,1,0,0,0,0|1,0,1]=4 2932 B7R0.5 CC(CCF)C(=O)O Amb24678386 [1,1,0,0,0,0|1,0,1]=4 2933 B7R0.5 CC(CCN)C(=O)O Amb20667970 [1,1,0,0,0,0|1,0,1]=4 2934 B7R0.5 CC(CCN)C(=O)O Amb538221 [1,1,0,0,0,0|1,0,1]=4 2935 B7R0.5 CC(CCO)C(=O)O Amb18641949 [1,1,0,0,0,0|0,0,2]=4 2936 B7R0.5 CC(CCO)C(=O)[O-] Amb33330478 [1,1,0,0,0,0|1,0,1]=4 2937 B7R0.5 CC(CCO)C(N)=O Amb28280962 [1,1,0,0,0,0|1,0,1]=4 2938 B7R0.5 CC(CNO)C(=O)O Amb28315956 [1,1,0,0,0,0|1,0,1]=4 2939 B7R0.5 CC(CSS)C(=O)O Amb27437183 [1,1,0,0,0,0|1,1,0]=4 2940 B7R0.5 CC(N=C=O)C(=O)O Amb33471295 [1,1,0,0,0,0|1,0,1]=4 2941 B7R0.5 CC(NC=O)C(=O)O Amb1144629 [1,1,0,0,0,0|1,0,0]=3 2942 B7R0.5 CC(OC=O)C(=O)O Amb27872094 [1,1,0,0,0,0|1,0,0]=3 2943 B7R0.5 CCCC(=O)C(=O)O Amb22347924 [1,1,0,0,0,0|0,0,2]=4 2944 B7R0.5 CCCC(Br)C(=O)Cl Amb17569837 [1,1,0,0,0,0|1,0,1]=4 2945 B7R0.5 CCCC(Br)C(=O)O Amb2795765 [1,1,0,0,0,0|0,0,1]=3 2946 B7R0.5 CCCC(Br)C(C)=O Amb26870127 [1,1,0,0,0,0|1,0,1]=4 2947 B7R0.5 CCCC(C)C(=O)Cl Amb2689582 [1,1,0,0,0,0|1,0,1]=4 2948 B7R0.5 CCCC(C)C(=O)O Amb3938958 [1,1,0,0,0,0|0,0,1]=3 2949 B7R0.5 CCCC(C)C(C)=O Amb4034597 [1,1,0,0,0,0|1,0,1]=4 2950 B7R0.5 CCCC(C)C(N)=O Amb3886535 [1,1,0,0,0,0|1,0,1]=4 2951 B7R0.5 CCCC(Cl)C(=O)O Amb17593470 [1,1,0,0,0,0|0,0,1]=3 2952 B7R0.5 CCCC(F)C(=O)O Amb25842008 [1,1,0,0,0,0|0,0,1]=3 2953 B7R0.5 CCCC(F)C(C)=O Amb28316211 [1,1,0,0,0,0|1,0,1]=4 2954 B7R0.5 CCCC(F)C(N)=O Amb28127390 [1,1,0,0,0,0|1,0,1]=4 2955 B7R0.5 CCCC(N)C(=O)O Amb6262055 [1,1,0,0,0,0|0,0,1]=3 2956 B7R0.5 CCCC(N)C(C)=O Amb27838289 [1,1,0,0,0,0|1,0,1]=4 2957 B7R0.5 CCCC(N)C(N)=O Amb22284825 [1,1,0,0,0,0|1,0,1]=4 2958 B7R0.5 CCCC(N)C(N)=O Amb9514970 [1,1,0,0,0,0|1,0,1]=4 2959 B7R0.5 CCCC(O)C(=O)O Amb2818222 [1,1,0,0,0,0|0,0,1]=3 2960 B7R0.5 CCCC(O)C(C)=O Amb22495823 [1,1,0,0,0,0|1,0,1]=4 2961 B7R0.5 CCCC(O)C(N)=O Amb24116553 [1,1,0,0,0,0|1,0,1]=4 2962 B7R0.5 CCCC(S)C(=O)O Amb18124440 [1,1,0,0,0,0|0,0,1]=3 2963 B7R0.5 CCC[C@@H](C)C(=O)O Amb10844028 [1,1,0,0,0,0|0,0,1]=3 2964 B7R0.5 CCC[C@@H](Cl)C(=O)O Amb27266071 [1,1,0,0,0,0|0,0,1]=3 2965 B7R0.5 CCC[C@@H](N)C(=O)O Amb8514700 [1,1,0,0,0,0|0,0,1]=3 2966 B7R0.5 CCC[C@@H](N)C(C)=O Amb35659946 [1,1,0,0,0,0|1,0,1]=4 2967 B7R0.5 CCC[C@@H](N)C(N)=O Amb22745048 [1,1,0,0,0,0|1,0,1]=4 2968 B7R0.5 CCC[C@@H](N)C(N)=O Amb24505187 [1,1,0,0,0,0|1,0,1]=4 2969 B7R0.5 CCC[C@@H](O)C(=O)O Amb22746731 [1,1,0,0,0,0|0,0,1]=3 2970 B7R0.5 CCC[C@H](Br)C(=O)O Amb26515784 [1,1,0,0,0,0|0,0,1]=3 2971 B7R0.5 CCC[C@H](C)C(=O)O Amb10844037 [1,1,0,0,0,0|0,0,1]=3 2972 B7R0.5 CCC[C@H](C)C(C)=O Amb27463637 [1,1,0,0,0,0|1,0,1]=4 2973 B7R0.5 CCC[C@H](Cl)C(=O)O Amb27801931 [1,1,0,0,0,0|0,0,1]=3 2974 B7R0.5 CCC[C@H](N)C(=O)O Amb30647420 [1,1,0,0,0,0|0,0,1]=3 2975 B7R0.5 CCC[C@H](N)C(=O)O Amb8514701 [1,1,0,0,0,0|0,0,1]=3 2976 B7R0.5 CCC[C@H](N)C(C)=O Amb35662324 [1,1,0,0,0,0|1,0,1]=4 2977 B7R0.5 CCC[C@H](N)C(N)=O Amb26916392 [1,1,0,0,0,0|1,0,1]=4 2978 B7R0.5 CCC[C@H](N)C(N)=O Amb33813498 [1,1,0,0,0,0|1,0,1]=4 2979 B7R0.5 CCC[C@H](O)C(=O)O Amb22226514 [1,1,0,0,0,0|0,0,1]=3 2980 B7R0.5 CCC[C@H](O)C(C)=O Amb25097084 [1,1,0,0,0,0|1,0,1]=4 2981 B7R0.5 CCC[C@H](S)C(=O)O Amb28045752 [1,1,0,0,0,0|0,0,1]=3 2982 B7R0.5 CCNC(C)C(=O)O Amb33527634 [1,1,0,0,0,0|1,0,1]=4 2983 B7R0.5 CCNC(C)C(=O)O Amb9326962 [1,1,0,0,0,0|1,0,1]=4 2984 B7R0.5 CCNC(O)C(=O)O Amb27259098 [1,1,0,0,0,0|1,0,1]=4 2985 B7R0.5 CCN[C@@H](C)C(=O)O Amb26579594 [1,1,0,0,0,0|1,0,1]=4 2986 B7R0.5 CCN[C@H](C)C(=O)O Amb24351099 [1,1,0,0,0,0|1,0,1]=4 2987 B7R0.5 CCOC(C)C(=O)O Amb9725271 [1,1,0,0,0,0|1,0,1]=4 2988 B7R0.5 CCOC(F)C(=O)O Amb27210743 [1,1,0,0,0,0|1,0,1]=4 2989 B7R0.5 CCSC(C)C(=O)O Amb9721554 [1,1,0,0,0,0|1,0,1]=4 2990 B7R0.5 CNCC(C)C(=O)O Amb13952364 [1,1,0,0,0,0|1,0,0]=3 2991 B7R0.5 CNCC(C)C(=O)O Amb9400281 [1,1,0,0,0,0|1,0,0]=3 2992 B7R0.5 CNCC(C)C(N)=O Amb8943991 [1,1,0,0,0,0|2,0,0]=4 2993 B7R0.5 CNCC(N)C(=O)O Amb10845350 [1,1,0,0,0,0|1,0,0]=3 2994 B7R0.5 CNCC(O)C(=O)O Amb26894610 [1,1,0,0,0,0|1,0,0]=3 2995 B7R0.5 CNC[C@H](N)C(=O)O Amb17617148 [1,1,0,0,0,0|1,0,0]=3 2996 B7R0.5 CNC[C@H](N)C(=O)O Amb19892230 [1,1,0,0,0,0|1,0,0]=3 2997 B7R0.5 COCC(Br)C(=O)Cl Amb27797270 [1,1,0,0,0,0|2,0,0]=4 2998 B7R0.5 COCC(Br)C(=O)O Amb17594709 [1,1,0,0,0,0|1,0,0]=3 2999 B7R0.5 COCC(C)C(=O)O Amb33545090 [1,1,0,0,0,0|1,0,0]=3 3000 B7R0.5 COCC(C)C(C)=O Amb24683449 [1,1,0,0,0,0|2,0,0]=4 3001 B7R0.5 COCC(C)C(N)=O Amb27401584 [1,1,0,0,0,0|2,0,0]=4 3002 B7R0.5 COCC(Cl)C(=O)O Amb10068384 [1,1,0,0,0,0|1,0,0]=3 3003 B7R0.5 COCC(N)C(=O)O Amb33551350 [1,1,0,0,0,0|1,0,0]=3 3004 B7R0.5 COCC(N)C(=O)O Amb6752055 [1,1,0,0,0,0|1,0,0]=3 3005 B7R0.5 COCC(N)C(C)=O Amb27468401 [1,1,0,0,0,0|2,0,0]=4 3006 B7R0.5 COCC(N)C(N)=O Amb18984372 [1,1,0,0,0,0|2,0,0]=4 3007 B7R0.5 COCC(N)C(N)=O Amb32693410 [1,1,0,0,0,0|2,0,0]=4 3008 B7R0.5 COCC(O)C(=O)O Amb18124273 [1,1,0,0,0,0|1,0,0]=3 3009 B7R0.5 COCC(O)C(N)=O Amb28069186 [1,1,0,0,0,0|2,0,0]=4 3010 B7R0.5 COCC(S)C(=O)O Amb27763656 [1,1,0,0,0,0|1,0,0]=3 3011 B7R0.5 COC[C@@H](C)C(=O)O Amb26599229 [1,1,0,0,0,0|1,0,0]=3 3012 B7R0.5 COC[C@@H](N)C(=O)O Amb10604051 [1,1,0,0,0,0|1,0,0]=3 3013 B7R0.5 COC[C@@H](N)C(=O)O Amb22744762 [1,1,0,0,0,0|1,0,0]=3 3014 B7R0.5 COC[C@H](C)C(=O)O Amb10844266 [1,1,0,0,0,0|1,0,0]=3 3015 B7R0.5 COC[C@H](N)C(=O)O Amb33801358 [1,1,0,0,0,0|1,0,0]=3 3016 B7R0.5 COC[C@H](N)C(=O)O Amb8515080 [1,1,0,0,0,0|1,0,0]=3 3017 B7R0.5 COC[C@H](O)C(=O)O Amb27778843 [1,1,0,0,0,0|1,0,0]=3 3018 B7R0.5 CON[C@@H](C)C(=O)O Amb27862116 [1,1,0,0,0,0|2,0,0]=4 3019 B7R0.5 CSCC(C)C(=O)O Amb18967825 [1,1,0,0,0,0|1,0,0]=3 3020 B7R0.5 CSCC(Cl)C(=O)Cl Amb27801927 [1,1,0,0,0,0|2,0,0]=4 3021 B7R0.5 CSCC(Cl)C(=O)O Amb26878419 [1,1,0,0,0,0|1,0,0]=3 3022 B7R0.5 CSCC(N)C(=O)O Amb33804791 [1,1,0,0,0,0|1,0,0]=3 3023 B7R0.5 CSCC(N)C(=O)O Amb6280829 [1,1,0,0,0,0|1,0,0]=3 3024 B7R0.5 CSCC(O)C(=O)O Amb25131873 [1,1,0,0,0,0|1,0,0]=3 3025 B7R0.5 CSCC(O)C(C)=O Amb25983211 [1,1,0,0,0,0|2,0,0]=4 3026 B7R0.5 CSCC(O)C(N)=O Amb27168145 [1,1,0,0,0,0|2,0,0]=4 3027 B7R0.5 CSC[C@@H](C)C(=O)O Amb26047434 [1,1,0,0,0,0|1,0,0]=3 3028 B7R0.5 CSC[C@@H](N)C(=O)O Amb9813743 [1,1,0,0,0,0|1,0,0]=3 3029 B7R0.5 CSC[C@H](N)C(=O)O Amb6364886 [1,1,0,0,0,0|1,0,0]=3 3030 B7R0.5 CSC[C@H](N)C(N)=O Amb27607700 [1,1,0,0,0,0|2,0,0]=4 3031 B7R0.5 C[C@@H](CCF)C(=O)O Amb33744644 [1,1,0,0,0,0|1,0,1]=4 3032 B7R0.5 C[C@@H](CCN)C(=O)O Amb10844043 [1,1,0,0,0,0|1,0,1]=4 3033 B7R0.5 C[C@@H](N=C=O)C(=O)O Amb33189209 [1,1,0,0,0,0|1,0,1]=4 3034 B7R0.5 C[C@@H](NC=O)C(N)=O Amb27837549 [1,1,0,0,0,0|2,0,0]=4 3035 B7R0.5 C[C@@H](O)[C@@H](O)CC=O Amb27643485 [1,1,0,0,0,0|0,0,2]=4 3036 B7R0.5 C[C@@H](O)[C@H](O)CC=O Amb27798254 [1,1,0,0,0,0|0,0,2]=4 3037 B7R0.5 C[C@H](CCF)C(=O)O Amb33738115 [1,1,0,0,0,0|1,0,1]=4 3038 B7R0.5 C[C@H](N=C=O)C(=O)O Amb33471333 [1,1,0,0,0,0|1,0,1]=4 3039 B7R0.5 C[C@H](NC=O)C(=O)O Amb28323701 [1,1,0,0,0,0|1,0,0]=3 3040 B7R0.5 C[Se]C[C@@H](N)C(=O)O Amb22745692 [1,1,0,0,0,0|1,0,0]=3 3041 B7R0.5 C[Se]C[C@H](N)C(=O)O Amb10601626 [1,1,0,0,0,0|1,0,0]=3 3042 B7R0.5 C\C(=C/C=O)C(=O)O Amb27165186 [1,1,0,0,0,0|0,0,2]=4 3043 B7R0.5 C\C=C\C(Br)C(=O)O Amb27451575 [1,1,0,0,0,0|0,0,1]=3 3044 B7R0.5 C\C=C\C(C)C(C)=O Amb26585088 [1,1,0,0,0,0|1,0,1]=4 3045 B7R0.5 C\C=C\C(O)C(=O)O Amb30585115 [1,1,0,0,0,0|0,0,1]=3 3046 B7R0.5 C\C=C\C(O)C(C)=O Amb25912951 [1,1,0,0,0,0|1,0,1]=4 3047 B7R0.5 C\C=C\[C@@H](N)C(=O)O Amb27948524 [1,1,0,0,0,0|0,0,1]=3 3048 B7R0.5 C\C=C\[C@@H](O)C(=O)O Amb28368832 [1,1,0,0,0,0|0,0,1]=3 3049 B7R0.5 C\C=C\[C@H](O)C(=O)O Amb27162651 [1,1,0,0,0,0|0,0,1]=3 3050 B7R0.5 N#CCC(N)C(=O)O Amb18641766 [1,1,0,0,0,0|1,0,1]=4 3051 B7R0.5 N#CC[C@@H](N)C(=O)O Amb26397494 [1,1,0,0,0,0|1,0,1]=4 3052 B7R0.5 N#CC[C@H](N)C(=O)O Amb16183916 [1,1,0,0,0,0|1,0,1]=4 3053 B7R0.5 NC(=O)C(N)CCO Amb24481392 [1,1,0,0,0,0|1,0,1]=4 3054 B7R0.5 NC(=O)C(N)CNO Amb27396201 [1,1,0,0,0,0|2,0,0]=4 3055 B7R0.5 NC(CCBr)C(=O)O Amb21858417 [1,1,0,0,0,0|1,0,1]=4 3056 B7R0.5 NC(CCCl)C(=O)O Amb28241385 [1,1,0,0,0,0|1,0,1]=4 3057 B7R0.5 NC(CCF)C(=O)O Amb25889337 [1,1,0,0,0,0|1,0,1]=4 3058 B7R0.5 NC(CCF)C(=O)O Amb28934889 [1,1,0,0,0,0|1,0,1]=4 3059 B7R0.5 NC(CCO)C(=O)O Amb8514287 [1,1,0,0,0,0|0,0,2]=4 3060 B7R0.5 NC(CCS)C(=O)O Amb19267093 [1,1,0,0,0,0|0,1,1]=4 3061 B7R0.5 NC(CCS)C(=O)O Amb3499433 [1,1,0,0,0,0|0,1,1]=4 3062 B7R0.5 NC(CNO)C(=O)O Amb4092732 [1,1,0,0,0,0|1,0,1]=4 3063 B7R0.5 NC(CO[SiH3])C(=O)O Amb27461306 [1,1,0,0,0,0|1,1,0]=4 3064 B7R0.5 NC(\C=C\F)C(=O)O Amb27666430 [1,1,0,0,0,0|1,0,1]=4 3065 B7R0.5 NCCC(Br)C(=O)O Amb28128317 [1,1,0,0,0,0|1,0,1]=4 3066 B7R0.5 NCCC(F)C(=O)O Amb10838221 [1,1,0,0,0,0|1,0,1]=4 3067 B7R0.5 NCCC(F)C(=O)O Amb22229524 [1,1,0,0,0,0|1,0,1]=4 3068 B7R0.5 NCCC(N)C(=O)O Amb2697841 [1,1,0,0,0,0|1,0,1]=4 3069 B7R0.5 NCCC(N)C(=O)O Amb8514694 [1,1,0,0,0,0|1,0,1]=4 3070 B7R0.5 NCCC(O)C(=O)O Amb16232090 [1,1,0,0,0,0|1,0,1]=4 3071 B7R0.5 NCC[C@@H](F)C(=O)O Amb24055858 [1,1,0,0,0,0|1,0,1]=4 3072 B7R0.5 NCC[C@@H](N)C(=O)O Amb16183852 [1,1,0,0,0,0|1,0,1]=4 3073 B7R0.5 NCC[C@@H](N)C(=O)O Amb23438994 [1,1,0,0,0,0|1,0,1]=4 3074 B7R0.5 NCC[C@@H](N)C(=O)O Amb8390364 [1,1,0,0,0,0|1,0,1]=4 3075 B7R0.5 NCC[C@@H](O)C(=O)O Amb22748225 [1,1,0,0,0,0|1,0,1]=4 3076 B7R0.5 NCC[C@H](F)C(=O)O Amb24055857 [1,1,0,0,0,0|1,0,1]=4 3077 B7R0.5 NCC[C@H](N)C(=O)O Amb16183862 [1,1,0,0,0,0|1,0,1]=4 3078 B7R0.5 NCC[C@H](N)C(=O)O Amb2720151 [1,1,0,0,0,0|1,0,1]=4 3079 B7R0.5 NCC[C@H](N)C(=O)O Amb33812683 [1,1,0,0,0,0|1,0,1]=4 3080 B7R0.5 NCC[C@H](N)C(=O)O Amb9825390 [1,1,0,0,0,0|1,0,1]=4 3081 B7R0.5 NCC[C@H](O)C(=O)O Amb8386099 [1,1,0,0,0,0|1,0,1]=4 3082 B7R0.5 NOCC(N)C(=O)O Amb24184086 [1,1,0,0,0,0|2,0,0]=4 3083 B7R0.5 N[C@@H](CCBr)C(=O)O Amb8515827 [1,1,0,0,0,0|1,0,1]=4 3084 B7R0.5 N[C@@H](CCF)C(=O)O Amb26458628 [1,1,0,0,0,0|1,0,1]=4 3085 B7R0.5 N[C@@H](CCO)C(=O)O Amb20242705 [1,1,0,0,0,0|0,0,2]=4 3086 B7R0.5 N[C@@H](CCO)C(=O)O Amb6600040 [1,1,0,0,0,0|0,0,2]=4 3087 B7R0.5 N[C@@H](CCS)C(=O)O Amb6600039 [1,1,0,0,0,0|0,1,1]=4 3088 B7R0.5 N[C@@H](\C=C/F)C(=O)O Amb27447269 [1,1,0,0,0,0|1,0,1]=4 3089 B7R0.5 N[C@H](CC=O)C(=O)O Amb27839576 [1,1,0,0,0,0|0,0,0]=2 3090 B7R0.5 N[C@H](CCF)C(=O)O Amb27206623 [1,1,0,0,0,0|1,0,1]=4 3091 B7R0.5 N[C@H](CCI)C(=O)O Amb27600675 [1,1,0,0,0,0|1,0,1]=4 3092 B7R0.5 N[C@H](CCO)C(=O)O Amb4166299 [1,1,0,0,0,0|0,0,2]=4 3093 B7R0.5 N[C@H](C[SH]=O)C(=O)O Amb27596028 [1,1,0,0,0,0|1,0,0]=3 3094 B7R0.5 O=C(O)C(Br)CCBr Amb19889695 [1,1,0,0,0,0|1,0,1]=4 3095 B7R0.5 O=C(O)C(Br)CCO Amb28325416 [1,1,0,0,0,0|0,0,2]=4 3096 B7R0.5 O=C(O)C(Cl)CCCl Amb18126030 [1,1,0,0,0,0|1,0,1]=4 3097 B7R0.5 O=C(O)C(O)CCCl Amb27644540 [1,1,0,0,0,0|1,0,1]=4 3098 B7R0.5 O=C(O)C(O)CCF Amb28071189 [1,1,0,0,0,0|1,0,1]=4 3099 B7R0.5 O=C(O)C(O)CCO Amb24689942 [1,1,0,0,0,0|0,0,2]=4 3100 B7R0.5 O=C(O)C(O)CNO Amb27405525 [1,1,0,0,0,0|1,0,1]=4 3101 B7R0.5 O=C(O)C(S)CCS Amb27634893 [1,1,0,0,0,0|0,1,1]=4 3102 B7R0.5 O=C(O)[C@@H](O)CCBr Amb27238673 [1,1,0,0,0,0|1,0,1]=4 3103 B7R0.5 O=CCC(=O)C(=O)O Amb26326260 [1,1,0,0,0,0|0,0,1]=3 3104 B7R0.5 O=C\C=C(/Br)C(=O)O Amb28320595 [1,1,0,0,0,0|0,0,2]=4 3105 B7R0.5 O=C\C=C(/Cl)C(=O)O Amb27784434 [1,1,0,0,0,0|0,0,2]=4 3106 B7R0.8 C=CCCS(C)(=N)=O Amb33457513 [1,1,0,0,0,0|2,0,0]=4 3107 B7R0.8 C=CCCS(C)(=O)=O Amb33054449 [1,1,0,0,0,0|2,0,0]=4 3108 B7R0.8 C=CCC[S@@](C)(=N)=O Amb33744009 [1,1,0,0,0,0|2,0,0]=4 3109 B7R0.8 CC(C)(C)CCC=O Amb18641814 [1,1,0,0,0,0|1,0,1]=4 3110 B7R0.8 CC(C)(F)CCC=O Amb25223234 [1,1,0,0,0,0|1,0,1]=4 3111 B7R0.8 CC(F)(F)CCC=O Amb25935601 [1,1,0,0,0,0|1,0,1]=4 3112 B7R0.8 CCCCP(=O)(O)O Amb22053921 [1,1,0,0,0,0|1,0,1]=4 3113 B7R0.8 CCCCS(=O)(=O)O Amb10844727 [1,1,0,0,0,0|1,0,1]=4 3114 B7R0.8 CNCCP(=O)(O)O Amb27751957 [1,1,0,0,0,0|2,0,0]=4 3115 B7R0.8 CNCCS(=O)(=O)O Amb6825625 [1,1,0,0,0,0|2,0,0]=4 3116 B7R0.8 CP(=O)(O)CCC=O Amb27643443 [1,1,0,0,0,0|1,0,0]=3 3117 B7R0.8 CS(=N)(=O)CCCO Amb35788140 [1,1,0,0,0,0|1,0,1]=4 3118 B7R0.8 CS(=O)(=O)CCC=O Amb28289688 [1,1,0,0,0,0|1,0,0]=3 3119 B7R0.8 CS(=O)(=O)CCCO Amb10608209 [1,1,0,0,0,0|1,0,1]=4 3120 B7R0.8 CS(=O)(=O)CCNO Amb33055747 [1,1,0,0,0,0|2,0,0]=4 3121 B7R0.8 CS(=O)(=O)NCC=O Amb17102114 [1,1,0,0,0,0|2,0,0]=4 3122 B7R0.8 C[N+](C)(N)CCC=O Amb28250962 [1,1,0,0,0,0|2,0,0]=4 3123 B7R0.8 O=CCOP(=O)(O)O Amb27169501 [1,1,0,0,0,0|2,0,0]=4 3124 B7R0.8 O=CCOS(=O)(=O)O Amb27255602 [1,1,0,0,0,0|2,0,0]=4 3125 B7R0.9 C=C(C)CS(=O)(=O)O Amb8479884 [0,1,0,0,1,0|2,0,0]=4 3126 B7R0.9 CC(=O)CC(C)(C)O Amb2721701 [0,1,0,0,1,0|1,0,1]=4 3127 B7R0.9 CC(=O)CP(=O)(Cl)Cl Amb28201546 [0,1,0,0,1,0|2,0,0]=4 3128 B7R0.9 CC(=O)CS(=O)(=O)Cl Amb27206933 [0,1,0,0,1,0|1,0,1]=4 3129 B7R0.9 CC(=O)CS(=O)(=O)F Amb33038451 [0,1,0,0,1,0|1,0,1]=4 3130 B7R0.9 CC(=O)CS(C)(=O)=O Amb2689700 [0,1,0,0,1,0|1,0,1]=4 3131 B7R0.9 CC(C)(Br)CC(=O)O Amb27400399 [0,1,0,0,1,0|1,0,1]=4 3132 B7R0.9 CC(C)(C)CC(=O)O Amb3939865 [0,1,0,0,1,0|1,0,1]=4 3133 B7R0.9 CC(C)(Cl)CC(=O)O Amb28047719 [0,1,0,0,1,0|1,0,1]=4 3134 B7R0.9 CC(C)(F)CC(=O)O Amb26360155 [0,1,0,0,1,0|1,0,1]=4 3135 B7R0.9 CC(C)(N)CC(=O)O Amb19267108 [0,1,0,0,1,0|1,0,1]=4 3136 B7R0.9 CC(C)(N)CC(=O)O Amb2691269 [0,1,0,0,1,0|1,0,1]=4 3137 B7R0.9 CC(C)(N)CC(=O)O Amb33109875 [0,1,0,0,1,0|1,0,1]=4 3138 B7R0.9 CC(C)(O)CC(=O)O Amb10605560 [0,1,0,0,1,0|0,0,2]=4 3139 B7R0.9 CC(C)(S)CC(=O)O Amb28314250 [0,1,0,0,1,0|0,1,1]=4 3140 B7R0.9 CC(F)(F)CC(=O)O Amb26018420 [0,1,0,0,1,0|1,0,1]=4 3141 B7R0.9 CC(O)(F)CC(=O)O Amb28072926 [0,1,0,0,1,0|0,0,2]=4 3142 B7R0.9 CC(O)(O)CC(=O)O Amb27405076 [0,1,0,0,1,0|0,0,2]=4 3143 B7R0.9 CP(=O)(O)CC(=O)O Amb3371772 [0,1,0,0,1,0|1,0,0]=3 3144 B7R0.9 CP(=O)([O-])CC(=O)[O-] Amb30585120 [0,1,0,0,1,0|1,0,1]=4 3145 B7R0.9 CP(=O)([O-])CC(N)=O Amb27790767 [0,1,0,0,1,0|2,0,0]=4 3146 B7R0.9 CP(C)(=O)CC(=O)O Amb25197683 [0,1,0,0,1,0|1,0,0]=3 3147 B7R0.9 CS(=O)(=O)CC(=O)Cl Amb28397142 [0,1,0,0,1,0|2,0,0]=4 3148 B7R0.9 CS(=O)(=O)CC(=O)O Amb3939888 [0,1,0,0,1,0|1,0,0]=3 3149 B7R0.9 CS(=O)(=O)CC(N)=O Amb4020730 [0,1,0,0,1,0|2,0,0]=4 3150 B7R0.9 CS(C)(Cl)CC(=O)O Amb27633859 [0,1,0,0,1,0|2,0,0]=4 3151 B7R0.9 C[N+](C)(C)CC(=O)O Amb3428940 [0,1,0,0,1,0|2,0,0]=4 3152 B7R0.9 C[N+](C)(N)CC(=O)O Amb27242840 [0,1,0,0,1,0|2,0,0]=4 3153 B7R0.9 C[Si](C)(C)CC(=O)O Amb19894126 [0,1,0,0,1,0|1,1,0]=4 3154 B7R0.9 NC(=O)CS(=O)(=O)O Amb28398406 [0,1,0,0,1,0|2,0,0]=4 3155 B7R0.9 NS(=O)(=O)CC(=O)O Amb6741828 [0,1,0,0,1,0|2,0,0]=4 3156 B7R0.9 O=C(O)CP(=O)(O)O Amb4489433 [0,1,0,0,1,0|2,0,0]=4 3157 B7R0.9 O=C(O)CS(=O)(=O)Cl Amb28428457 [0,1,0,0,1,0|2,0,0]=4 3158 B7R0.9 O=C(O)CS(=O)(=O)F Amb26639922 [0,1,0,0,1,0|2,0,0]=4 3159 B7R0.9 O=C(O)CS(=O)(=O)O Amb16232248 [0,1,0,0,1,0|2,0,0]=4 3160 B7R0.9 O=C(O)C[SH](=O)([O-])O Amb27231739 [0,1,0,0,1,0|2,0,0]=4 3161 B7R0.16 C=C(Br)C(N)C(=O)O Amb28193255 [0,1,0,0,1,0|1,0,1]=4 3162 B7R0.16 C=C(C(=O)O)C(=O)Cl Amb28056536 [0,1,0,0,1,0|1,0,1]=4 3163 B7R0.16 C=C(C(C)=O)C(C)=O Amb27424014 [0,1,0,0,1,0|1,0,1]=4 3164 B7R0.16 C=C(C(C)=O)C(N)=O Amb27814821 [0,1,0,0,1,0|1,0,1]=4 3165 B7R0.16 C=C(C)C(=C)C(=O)O Amb33199524 [0,1,0,0,1,0|1,0,1]=4 3166 B7R0.16 C=C(C)C(C)C(=O)O Amb18641781 [0,1,0,0,1,0|1,0,0]=3 3167 B7R0.16 C=C(C)C(C)C(N)=O Amb26327976 [0,1,0,0,1,0|2,0,0]=4 3168 B7R0.16 C=C(C)C(Cl)C(C)=O Amb27633869 [0,1,0,0,1,0|2,0,0]=4 3169 B7R0.16 C=C(C)C(N)C(=C)O Amb27762325 [0,1,0,0,1,0|2,0,0]=4 3170 B7R0.16 C=C(C)C(N)C(=O)O Amb18641831 [0,1,0,0,1,0|1,0,0]=3 3171 B7R0.16 C=C(C)C(O)C(=O)O Amb27859701 [0,1,0,0,1,0|1,0,0]=3 3172 B7R0.16 C=C(C)C(O)C(N)=O Amb28123135 [0,1,0,0,1,0|2,0,0]=4 3173 B7R0.16 C=C(C)[C@@H](N)C(=O)O Amb26012631 [0,1,0,0,1,0|1,0,0]=3 3174 B7R0.16 C=C(C)[C@@H](O)C(=O)O Amb28071409 [0,1,0,0,1,0|1,0,0]=3 3175 B7R0.16 CC(=N)C(C)C(C)=O Amb28315572 [0,1,0,0,1,0|2,0,0]=4 3176 B7R0.16 CC(=O)C(=O)C(=O)O Amb24101563 [0,1,0,0,1,0|0,0,1]=3 3177 B7R0.16 CC(=O)C(=O)C(C)=O Amb17593178 [0,1,0,0,1,0|1,0,1]=4 3178 B7R0.16 CC(=O)C(=S)C(C)=O Amb24588939 [0,1,0,0,1,0|1,0,1]=4 3179 B7R0.16 CC(=O)C(Br)C(C)=O Amb22000680 [0,1,0,0,1,0|1,0,0]=3 3180 B7R0.16 CC(=O)C(C)C(=O)Cl Amb27971652 [0,1,0,0,1,0|1,0,0]=3 3181 B7R0.16 CC(=O)C(C)C(=S)S Amb27261425 [0,1,0,0,1,0|0,2,0]=4 3182 B7R0.16 CC(=O)C(C)C(C)=O Amb1152249 [0,1,0,0,1,0|1,0,0]=3 3183 B7R0.16 CC(=O)C(C)C(C)O Amb17593202 [0,1,0,0,1,0|1,0,1]=4 3184 B7R0.16 CC(=O)C(C)[C@@H](C)O Amb28316228 [0,1,0,0,1,0|1,0,1]=4 3185 B7R0.16 CC(=O)C(Cl)C(C)=O Amb3940505 [0,1,0,0,1,0|1,0,0]=3 3186 B7R0.16 CC(=O)C(F)C(C)O Amb28437134 [0,1,0,0,1,0|1,0,1]=4 3187 B7R0.16 CC(=O)C(F)[N+](=O)[O-] Amb28254640 [0,1,0,0,1,0|1,0,1]=4 3188 B7R0.16 CC(=O)C(N)C(=O)O Amb21962887 [0,1,0,0,1,0|0,0,0]=2 3189 B7R0.16 CC(=O)C(N)C(C)=O Amb18632931 [0,1,0,0,1,0|1,0,0]=3 3190 B7R0.16 CC(=O)C(N)C(C)=O Amb6893881 [0,1,0,0,1,0|1,0,0]=3 3191 B7R0.16 CC(=O)C(O)C(C)=O Amb28048968 [0,1,0,0,1,0|1,0,0]=3 3192 B7R0.16 CC(=O)C(O)C(C)O Amb26597030 [0,1,0,0,1,0|1,0,1]=4 3193 B7R0.16 CC(=O)N(C)C(=O)Cl Amb33338974 [0,1,0,0,1,0|2,0,0]=4 3194 B7R0.16 CC(=O)N(C)C(C)=O Amb2720846 [0,1,0,0,1,0|2,0,0]=4 3195 B7R0.16 CC(=O)N(O)C(C)=O Amb22750106 [0,1,0,0,1,0|2,0,0]=4 3196 B7R0.16 CC(=O)[C@@H](C)[C@H](C)O Amb26966954 [0,1,0,0,1,0|1,0,1]=4 3197 B7R0.16 CC(=O)[C@@H](O)[C@@H](C)O Amb24481484 [0,1,0,0,1,0|1,0,1]=4 3198 B7R0.16 CC(=O)[C@@H](O)[C@H](C)O Amb28045145 [0,1,0,0,1,0|1,0,1]=4 3199 B7R0.16 CC(=O)[C@H](C)[C@H](C)O Amb28249967 [0,1,0,0,1,0|1,0,1]=4 3200 B7R0.16 CC(=O)[C@H](O)[C@@H](C)O Amb24701454 [0,1,0,0,1,0|1,0,1]=4 3201 B7R0.16 CC(=O)\C(F)=C(/C)O Amb28384212 [0,1,0,0,1,0|1,0,1]=4 3202 B7R0.16 CC(=O)\C(N)=C(/C)O Amb26452525 [0,1,0,0,1,0|1,0,1]=4 3203 B7R0.16 CC(=S)C(S)C(=O)O Amb27791825 [0,1,0,0,1,0|0,1,0]=3 3204 B7R0.16 CC(Br)C(Br)C(=O)O Amb4008645 [0,1,0,0,1,0|1,0,1]=4 3205 B7R0.16 CC(C(=O)O)C(=O)O Amb6600127 [0,1,0,0,1,0|1,0,0]=3 3206 B7R0.16 CC(C(=O)O)N(C)C Amb21955631 [0,1,0,0,1,0|2,0,0]=4 3207 B7R0.16 CC(C(=O)O)N(C)C Amb6653762 [0,1,0,0,1,0|2,0,0]=4 3208 B7R0.16 CC(C(=O)O)N(C)N Amb22372039 [0,1,0,0,1,0|2,0,0]=4 3209 B7R0.16 CC(C(N)=O)C(=O)O Amb27401562 [0,1,0,0,1,0|1,0,0]=3 3210 B7R0.16 CC(C(N)=O)C(N)=O Amb4034611 [0,1,0,0,1,0|2,0,0]=4 3211 B7R0.16 CC(C)=C(Br)C(=O)O Amb17594579 [0,1,0,0,1,0|1,0,1]=4 3212 B7R0.16 CC(C)=C(C)C(=O)O Amb17593186 [0,1,0,0,1,0|1,0,1]=4 3213 B7R0.16 CC(C)=C(Cl)C(=O)O Amb18642954 [0,1,0,0,1,0|1,0,1]=4 3214 B7R0.16 CC(C)=C(F)C(=O)O Amb20669103 [0,1,0,0,1,0|1,0,1]=4 3215 B7R0.16 CC(C)C(Br)C(=O)O Amb9703217 [0,1,0,0,1,0|1,0,1]=4 3216 B7R0.16 CC(C)C(C)C(=O)O Amb17087469 [0,1,0,0,1,0|1,0,1]=4 3217 B7R0.16 CC(C)C(Cl)C(=O)O Amb6739911 [0,1,0,0,1,0|1,0,1]=4 3218 B7R0.16 CC(C)C(F)C(=O)O Amb19957386 [0,1,0,0,1,0|1,0,1]=4 3219 B7R0.16 CC(C)C(N)C(=O)O Amb5718386 [0,1,0,0,1,0|1,0,1]=4 3220 B7R0.16 CC(C)C(O)C(=O)O Amb2582547 [0,1,0,0,1,0|1,0,1]=4 3221 B7R0.16 CC(C)C(S)C(=O)O Amb18282761 [0,1,0,0,1,0|1,0,1]=4 3222 B7R0.16 CC(C)[C@@H](Br)C(=O)O Amb8629113 [0,1,0,0,1,0|1,0,1]=4 3223 B7R0.16 CC(C)[C@@H](C)C(=O)O Amb10844600 [0,1,0,0,1,0|1,0,1]=4 3224 B7R0.16 CC(C)[C@@H](N)C(=O)O Amb2720566 [0,1,0,0,1,0|1,0,1]=4 3225 B7R0.16 CC(C)[C@@H](O)C(=O)O Amb10071589 [0,1,0,0,1,0|1,0,1]=4 3226 B7R0.16 CC(C)[C@H](Br)C(=O)O Amb8629114 [0,1,0,0,1,0|1,0,1]=4 3227 B7R0.16 CC(C)[C@H](C)C(=O)O Amb10844601 [0,1,0,0,1,0|1,0,1]=4 3228 B7R0.16 CC(C)[C@H](N)C(=O)O Amb2725465 [0,1,0,0,1,0|1,0,1]=4 3229 B7R0.16 CC(C)[C@H](O)C(=O)O Amb2694861 [0,1,0,0,1,0|1,0,1]=4 3230 B7R0.16 CC(Cl)C(C)C(=O)O Amb28325096 [0,1,0,0,1,0|1,0,1]=4 3231 B7R0.16 CC(Cl)C(Cl)C(=O)O Amb28396619 [0,1,0,0,1,0|1,0,1]=4 3232 B7R0.16 CC(F)C(N)C(=O)O Amb10838661 [0,1,0,0,1,0|1,0,1]=4 3233 B7R0.16 CC(F)C(N)C(=O)O Amb32752736 [0,1,0,0,1,0|1,0,1]=4 3234 B7R0.16 CC(F)[C@@H](N)C(=O)O Amb28316197 [0,1,0,0,1,0|1,0,1]=4 3235 B7R0.16 CC(N)C(C)C(=O)O Amb18124261 [0,1,0,0,1,0|1,0,1]=4 3236 B7R0.16 CC(N)C(C)C(=O)O Amb28934866 [0,1,0,0,1,0|1,0,1]=4 3237 B7R0.16 CC(N)C(F)C(=O)O Amb27411861 [0,1,0,0,1,0|1,0,1]=4 3238 B7R0.16 CC(N)C(N)C(=O)O Amb22728051 [0,1,0,0,1,0|1,0,1]=4 3239 B7R0.16 CC(N)C(O)C(=O)O Amb18641970 [0,1,0,0,1,0|1,0,1]=4 3240 B7R0.16 CC(N)C(O)C(=O)O Amb33299223 [0,1,0,0,1,0|1,0,1]=4 3241 B7R0.16 CC(N)[C@H](N)C(=O)O Amb25083113 [0,1,0,0,1,0|1,0,1]=4 3242 B7R0.16 CC(N)[C@H](N)C(=O)O Amb33740158 [0,1,0,0,1,0|1,0,1]=4 3243 B7R0.16 CC(O)C(Br)C(=O)O Amb17594710 [0,1,0,0,1,0|0,0,2]=4 3244 B7R0.16 CC(O)C(C)C(=O)O Amb17615515 [0,1,0,0,1,0|0,0,2]=4 3245 B7R0.16 CC(O)C(Cl)C(=O)O Amb17593522 [0,1,0,0,1,0|0,0,2]=4 3246 B7R0.16 CC(O)C(F)C(=O)O Amb33544667 [0,1,0,0,1,0|0,0,2]=4 3247 B7R0.16 CC(O)C(N)C(=O)O Amb32665460 [0,1,0,0,1,0|0,0,2]=4 3248 B7R0.16 CC(O)C(N)C(=O)O Amb9703096 [0,1,0,0,1,0|0,0,2]=4 3249 B7R0.16 CC(O)C(O)C(=O)O Amb18124272 [0,1,0,0,1,0|0,0,2]=4 3250 B7R0.16 CC(S)C(N)C(=O)O Amb17593434 [0,1,0,0,1,0|0,1,1]=4 3251 B7R0.16 CC(S)[C@@H](N)C(=O)O Amb24606864 [0,1,0,0,1,0|0,1,1]=4 3252 B7R0.16 CN(C)C(O)C(=O)O Amb28399618 [0,1,0,0,1,0|2,0,0]=4 3253 B7R0.16 C[C@@H](C(=O)O)N(C)C Amb22587534 [0,1,0,0,1,0|2,0,0]=4 3254 B7R0.16 C[C@@H](C(=O)O)N(C)C Amb28934882 [0,1,0,0,1,0|2,0,0]=4 3255 B7R0.16 C[C@@H](Cl)[C@@H](Cl)C(=O)O Amb28343001 [0,1,0,0,1,0|1,0,1]=4 3256 B7R0.16 C[C@@H](Cl)[C@H](Cl)C(=O)O Amb28283911 [0,1,0,0,1,0|1,0,1]=4 3257 B7R0.16 C[C@@H](F)[C@@H](N)C(=O)O Amb28286576 [0,1,0,0,1,0|1,0,1]=4 3258 B7R0.16 C[C@@H](F)[C@@H](N)C(=O)O Amb32668519 [0,1,0,0,1,0|1,0,1]=4 3259 B7R0.16 C[C@@H](N)[C@@H](C)C(=O)O Amb25679842 [0,1,0,0,1,0|1,0,1]=4 3260 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O Amb22745441 [0,1,0,0,1,0|1,0,1]=4 3261 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O Amb24481409 [0,1,0,0,1,0|1,0,1]=4 3262 B7R0.16 C[C@@H](O)C(N)C(=O)O Amb26397429 [0,1,0,0,1,0|0,0,2]=4 3263 B7R0.16 C[C@@H](O)[C@@H](Cl)C(=O)O Amb27489415 [0,1,0,0,1,0|0,0,2]=4 3264 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Amb8514159 [0,1,0,0,1,0|0,0,2]=4 3265 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O Amb27812084 [0,1,0,0,1,0|0,0,2]=4 3266 B7R0.16 C[C@@H](O)[C@H](Cl)C(=O)O Amb27188843 [0,1,0,0,1,0|0,0,2]=4 3267 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb22351168 [0,1,0,0,1,0|0,0,2]=4 3268 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb33623705 [0,1,0,0,1,0|0,0,2]=4 3269 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb6599999 [0,1,0,0,1,0|0,0,2]=4 3270 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O Amb24117242 [0,1,0,0,1,0|0,1,1]=4 3271 B7R0.16 C[C@H](C(=O)O)N(C)C Amb22586633 [0,1,0,0,1,0|2,0,0]=4 3272 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O Amb10844572 [0,1,0,0,1,0|0,0,2]=4 3273 B7R0.16 C[C@H](Cl)[C@H](Cl)C(=O)O Amb27955873 [0,1,0,0,1,0|1,0,1]=4 3274 B7R0.16 C[C@H](N)[C@@H](C)C(=O)O Amb26887656 [0,1,0,0,1,0|1,0,1]=4 3275 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O Amb27751951 [0,1,0,0,1,0|1,0,1]=4 3276 B7R0.16 C[C@H](N)[C@H](N)C(=O)O Amb17678797 [0,1,0,0,1,0|1,0,1]=4 3277 B7R0.16 C[C@H](N)[C@H](N)C(=O)O Amb26887696 [0,1,0,0,1,0|1,0,1]=4 3278 B7R0.16 C[C@H](O)[C@@H](Br)C(=O)O Amb27476235 [0,1,0,0,1,0|0,0,2]=4 3279 B7R0.16 C[C@H](O)[C@@H](F)C(=O)O Amb27837922 [0,1,0,0,1,0|0,0,2]=4 3280 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Amb6297293 [0,1,0,0,1,0|0,0,2]=4 3281 B7R0.16 C[C@H](O)[C@@H](O)C(=O)O Amb25844932 [0,1,0,0,1,0|0,0,2]=4 3282 B7R0.16 C[C@H](O)[C@H](Br)C(=O)O Amb27409077 [0,1,0,0,1,0|0,0,2]=4 3283 B7R0.16 C[C@H](O)[C@H](C)C(=O)O Amb27440373 [0,1,0,0,1,0|0,0,2]=4 3284 B7R0.16 C[C@H](O)[C@H](Cl)C(=O)O Amb27410667 [0,1,0,0,1,0|0,0,2]=4 3285 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Amb32663639 [0,1,0,0,1,0|0,0,2]=4 3286 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Amb8514158 [0,1,0,0,1,0|0,0,2]=4 3287 B7R0.16 C[C@H](O)[C@H](O)C(=O)O Amb27831803 [0,1,0,0,1,0|0,0,2]=4 3288 B7R0.16 C[PH](=O)C(O)C(=O)O Amb34916646 [0,1,0,0,1,0|1,0,0]=3 3289 B7R0.16 C\C(Br)=C(/C)C(=O)O Amb2611697 [0,1,0,0,1,0|1,0,1]=4 3290 B7R0.16 C\C(O)=C(\N)C(=O)O Amb27191761 [0,1,0,0,1,0|0,0,2]=4 3291 B7R0.16 C\C(O)=C(\O)C(=O)O Amb28282804 [0,1,0,0,1,0|0,0,2]=4 3292 B7R0.16 NC(=O)C(Br)C(N)=O Amb23504430 [0,1,0,0,1,0|2,0,0]=4 3293 B7R0.16 NC(=O)C(F)C(N)=O Amb27948525 [0,1,0,0,1,0|2,0,0]=4 3294 B7R0.16 NC(=O)C(N)C(N)=O Amb518675 [0,1,0,0,1,0|2,0,0]=4 3295 B7R0.16 NC(=O)C(O)C(N)=O Amb27212957 [0,1,0,0,1,0|2,0,0]=4 3296 B7R0.16 NC(=O)C([Na])C(N)=O Amb27838298 [0,1,0,0,1,0|2,0,0]=4 3297 B7R0.16 NC(=O)[C@H](N)C(=O)O Amb28397054 [0,1,0,0,1,0|1,0,0]=3 3298 B7R0.16 NC(C(=O)O)C(=O)O Amb10603956 [0,1,0,0,1,0|1,0,0]=3 3299 B7R0.16 N[C@@H](C(=O)O)S(=O)O Amb28125643 [0,1,0,0,1,0|2,0,0]=4 3300 B7R0.16 O=C(Cl)C(Cl)C(=O)Cl Amb27781570 [0,1,0,0,1,0|2,0,0]=4 3301 B7R0.16 O=C(Cl)C(F)C(=O)Cl Amb32456101 [0,1,0,0,1,0|2,0,0]=4 3302 B7R0.16 O=C(O)C(=O)C(=O)O Amb18641943 [0,1,0,0,1,0|1,0,1]=4 3303 B7R0.16 O=C(O)C(Br)C(=O)O Amb17594708 [0,1,0,0,1,0|1,0,0]=3 3304 B7R0.16 O=C(O)C(F)C(=O)O Amb24055884 [0,1,0,0,1,0|1,0,0]=3 3305 B7R0.16 O=C(O)C(O)C(=O)O Amb1215315 [0,1,0,0,1,0|1,0,0]=3 3306 B7R0.16 O=C(O)C(S)C(=O)O Amb28346986 [0,1,0,0,1,0|1,0,0]=3 3307 B9R0.1 C#CC(=O)NCCC(=C)C Amb30017777 [0,1,0,0,0,1|2,0,0]=4 3308 B9R0.1 C#CC(=O)NOCC(=O)O Amb27399796 [0,1,0,0,0,1|1,0,1]=4 3309 B9R0.1 C#CC(C)CCCC(=O)O Amb27273525 [0,1,0,0,0,1|1,0,1]=4 3310 B9R0.1 C#CC(C)OCCC(=O)O Amb28041173 [0,1,0,0,0,1|1,0,1]=4 3311 B9R0.1 C#C\C(C)=C\CCC(=O)O Amb27461397 [0,1,0,0,0,1|1,0,0]=3 3312 B9R0.1 C=C(Br)CCCC(=O)OC Amb24717516 [0,1,0,0,0,1|1,0,1]=4 3313 B9R0.1 C=C(Br)CNCC(=O)NC Amb18303977 [0,1,0,0,0,1|2,0,0]=4 3314 B9R0.1 C=C(Br)CSCC(=O)NC Amb24271141 [0,1,0,0,0,1|2,0,0]=4 3315 B9R0.1 C=C(C)CCCC(=O)OC Amb25995990 [0,1,0,0,0,1|1,0,0]=3 3316 B9R0.1 C=C(C)CCNC(=O)CCl Amb27974797 [0,1,0,0,0,1|2,0,0]=4 3317 B9R0.1 C=C(C)CCNC(=O)CS Amb28144813 [0,1,0,0,0,1|1,1,0]=4 3318 B9R0.1 C=C(C)CCNC(=O)OC Amb27247131 [0,1,0,0,0,1|1,0,0]=3 3319 B9R0.1 C=C(C)CCOC(=O)CC Amb27770403 [0,1,0,0,0,1|2,0,0]=4 3320 B9R0.1 C=C(C)CCOC(=O)CO Amb27976305 [0,1,0,0,0,1|1,0,0]=3 3321 B9R0.1 C=C(C)CCSC(=S)OC Amb27255833 [0,1,0,0,0,1|1,1,0]=4 3322 B9R0.1 C=C(C)CC\C=C(/C)C=O Amb27872349 [0,1,0,0,0,1|2,0,0]=4 3323 B9R0.1 C=C(C)CC\C=C(\C)C=O Amb28062454 [0,1,0,0,0,1|2,0,0]=4 3324 B9R0.1 C=C(C)CNCC(=O)NC Amb27407164 [0,1,0,0,0,1|2,0,0]=4 3325 B9R0.1 C=C(C=O)CCCC(C)=O Amb8392635 [0,1,0,0,0,1|1,0,0]=3 3326 B9R0.1 C=C(C=O)CCOC(C)=O Amb18643822 [0,1,0,0,0,1|1,0,0]=3 3327 B9R0.1 C=C(CC)CNCC(=O)O Amb27661467 [0,1,0,0,0,1|1,0,0]=3 3328 B9R0.1 C=C(CCl)CSCC(N)=O Amb28126890 [0,1,0,0,0,1|2,0,0]=4 3329 B9R0.1 C=C(CN)CSCC(N)=O Amb27599887 [0,1,0,0,0,1|2,0,0]=4 3330 B9R0.1 C=C(CO)CCC=C(C)C Amb27839217 [0,1,0,0,0,1|2,0,0]=4 3331 B9R0.1 C=C(CO)CCOC(C)=O Amb28322751 [0,1,0,0,0,1|1,0,0]=3 3332 B9R0.1 C=C(CS)CSCC(N)=O Amb27494256 [0,1,0,0,0,1|2,0,0]=4 3333 B9R0.1 C=CC(=O)CCCC(=O)O Amb27770363 [0,1,0,0,0,1|0,0,1]=3 3334 B9R0.1 C=CC(=O)CCCC(C)=O Amb27409542 [0,1,0,0,0,1|1,0,0]=3 3335 B9R0.1 C=CC(=O)NCCC(=C)C Amb27974796 [0,1,0,0,0,1|2,0,0]=4 3336 B9R0.1 C=CC(=O)NCCC(=O)O Amb6257105 [0,1,0,0,0,1|0,0,1]=3 3337 B9R0.1 C=CC(=O)NCCC(=O)[O-] Amb20668483 [0,1,0,0,0,1|0,0,2]=4 3338 B9R0.1 C=CC(=O)NCCC(N)=O Amb9481014 [0,1,0,0,0,1|1,0,1]=4 3339 B9R0.1 C=CC(=O)NCCS(C)=O Amb28280474 [0,1,0,0,0,1|2,0,0]=4 3340 B9R0.1 C=CC(=O)OCCC(=O)O Amb18644058 [0,1,0,0,0,1|0,0,1]=3 3341 B9R0.1 C=CC(C)COCC(=O)O Amb27831618 [0,1,0,0,0,1|1,0,1]=4 3342 B9R0.1 C=CC(C)OCCC(=O)O Amb27404617 [0,1,0,0,0,1|1,0,1]=4 3343 B9R0.1 CC(=O)CCCC(=N)NN Amb25146305 [0,1,0,0,0,1|2,0,0]=4 3344 B9R0.1 CC(=O)CCCC(=O)NO Amb27980256 [0,1,0,0,0,1|0,0,0]=2 3345 B9R0.1 CC(=O)CCC[C@@H](C)CO Amb26391997 [0,1,0,0,0,1|1,0,1]=4 3346 B9R0.1 CC(=O)CCC[C@@H](Cl)C=O Amb28396498 [0,1,0,0,0,1|1,0,1]=4 3347 B9R0.1 CC(=O)CCC\C(C)=N\O Amb28434847 [0,1,0,0,0,1|1,0,0]=3 3348 B9R0.1 CC(=O)CCNC(C)CO Amb32675833 [0,1,0,0,0,1|1,0,1]=4 3349 B9R0.1 CC(=O)CC\C=C(/C)C#N Amb26498925 [0,1,0,0,0,1|2,0,0]=4 3350 B9R0.1 CC(=O)CC\C=C(/C)C=O Amb18124577 [0,1,0,0,0,1|1,0,0]=3 3351 B9R0.1 CC(=O)CC\C=C(\C)C#N Amb26045659 [0,1,0,0,0,1|2,0,0]=4 3352 B9R0.1 CC(=O)CC\C=C(\C)C=O Amb27195922 [0,1,0,0,0,1|1,0,0]=3 3353 B9R0.1 CC(=O)CSCC(O)CO Amb28049681 [0,1,0,0,0,1|0,0,2]=4 3354 B9R0.1 CC(=O)CSC\C(Cl)=C\Cl Amb27424935 [0,1,0,0,0,1|2,0,0]=4 3355 B9R0.1 CC(=O)NCCC(C)CO Amb28203991 [0,1,0,0,0,1|1,0,1]=4 3356 B9R0.1 CC(=O)NCCC(O)CO Amb32645132 [0,1,0,0,0,1|0,0,2]=4 3357 B9R0.1 CC(=O)NCNC(=O)CO Amb27243935 [0,1,0,0,0,1|1,0,0]=3 3358 B9R0.1 CC(=O)NCNC(C)=S=O Amb28196357 [0,1,0,0,0,1|2,0,0]=4 3359 B9R0.1 CC(=O)OCCC(C)C=O Amb28387659 [0,1,0,0,0,1|1,0,1]=4 3360 B9R0.1 CC(=O)OCCC(Cl)C=O Amb28050881 [0,1,0,0,0,1|1,0,1]=4 3361 B9R0.1 CC(=O)OCCC(O)CO Amb27171870 [0,1,0,0,0,1|0,0,2]=4 3362 B9R0.1 CC(=O)OCC[C@H](O)CO Amb27588999 [0,1,0,0,0,1|0,0,2]=4 3363 B9R0.1 CC(=O)OCC\C(C)=C/Cl Amb27659295 [0,1,0,0,0,1|2,0,0]=4 3364 B9R0.1 CC(=O)OC\C=C(/C)C=O Amb17593584 [0,1,0,0,0,1|1,0,1]=4 3365 B9R0.1 CC(=O)SCCC(=O)CCl Amb24436675 [0,1,0,0,0,1|1,0,0]=3 3366 B9R0.1 CC(=O)SC\C=C(\C)C=O Amb28411202 [0,1,0,0,0,1|1,0,1]=4 3367 B9R0.1 CC(C#N)CCCC(=O)O Amb18643710 [0,1,0,0,0,1|1,0,1]=4 3368 B9R0.1 CC(C)=CCCC(=O)CCl Amb27173844 [0,1,0,0,0,1|2,0,0]=4 3369 B9R0.1 CC(C)=CCCC(=O)CF Amb28249661 [0,1,0,0,0,1|2,0,0]=4 3370 B9R0.1 CC(C)=CCC\C(C)=C\O Amb28050727 [0,1,0,0,0,1|2,0,0]=4 3371 B9R0.1 CC(C)CCCC(=O)CO Amb26467261 [0,1,0,0,0,1|1,0,1]=4 3372 B9R0.1 CC(C)CCNC(=O)CO Amb9421652 [0,1,0,0,0,1|1,0,1]=4 3373 B9R0.1 CC(C)CCOC(=O)CO Amb27626229 [0,1,0,0,0,1|1,0,1]=4 3374 B9R0.1 CC(C)NCCC(=O)NO Amb27948303 [0,1,0,0,0,1|1,0,1]=4 3375 B9R0.1 CC(C=O)CCCC(=O)O Amb27173621 [0,1,0,0,0,1|0,0,1]=3 3376 B9R0.1 CC(CN)CCCC(=O)O Amb27592530 [0,1,0,0,0,1|1,0,1]=4 3377 B9R0.1 CC(CN)CSCC(=O)O Amb27639745 [0,1,0,0,0,1|1,0,1]=4 3378 B9R0.1 CC(CN)OCCC(=O)O Amb18629690 [0,1,0,0,0,1|1,0,1]=4 3379 B9R0.1 CC(CN)SCCC(=O)O Amb27425055 [0,1,0,0,0,1|1,0,1]=4 3380 B9R0.1 CC(CO)CNCC(=O)O Amb28246419 [0,1,0,0,0,1|0,0,2]=4 3381 B9R0.1 CC(CO)COCC(=O)O Amb28280816 [0,1,0,0,0,1|0,0,2]=4 3382 B9R0.1 CC(CO)CSCC(=O)O Amb28365901 [0,1,0,0,0,1|0,0,2]=4 3383 B9R0.1 CC(N)CCCC(=O)NO Amb28122781 [0,1,0,0,0,1|1,0,1]=4 3384 B9R0.1 CC(O)CCNC(=O)CS Amb28120401 [0,1,0,0,0,1|1,0,1]=4 3385 B9R0.1 CCC(=N)NCCC(N)=O Amb27181001 [0,1,0,0,0,1|2,0,0]=4 3386 B9R0.1 CCC(=O)CCC[N+](=O)[O-] Amb27636062 [0,1,0,0,0,1|1,0,1]=4 3387 B9R0.1 CCC(=O)NCCC(=O)O Amb1120326 [0,1,0,0,0,1|0,0,0]=2 3388 B9R0.1 CCC(=O)NCCC(C)=O Amb17102869 [0,1,0,0,0,1|1,0,0]=3 3389 B9R0.1 CCC(=O)NCCC(N)=O Amb17231982 [0,1,0,0,0,1|1,0,0]=3 3390 B9R0.1 CCC(=O)NCCC(N)=S Amb17232333 [0,1,0,0,0,1|1,1,0]=4 3391 B9R0.1 CCC(=O)NOCC(N)=O Amb27390237 [0,1,0,0,0,1|2,0,0]=4 3392 B9R0.1 CCC(=O)OCCC(=O)O Amb26597385 [0,1,0,0,0,1|0,0,0]=2 3393 B9R0.1 CCC(=O)OCOC(=O)Cl Amb25212596 [0,1,0,0,0,1|2,0,0]=4 3394 B9R0.1 CCC(=O)SCCC(=O)O Amb27657281 [0,1,0,0,0,1|0,0,0]=2 3395 B9R0.1 CCC(C)CCCC(=O)O Amb18124682 [0,1,0,0,0,1|1,0,1]=4 3396 B9R0.1 CCC(C)COCC(=O)O Amb28368866 [0,1,0,0,0,1|1,0,1]=4 3397 B9R0.1 CCC(C)OCCC(=O)O Amb27947378 [0,1,0,0,0,1|1,0,1]=4 3398 B9R0.1 CCC(O)CCCC(=O)O Amb18644263 [0,1,0,0,0,1|0,0,2]=4 3399 B9R0.1 CCC(O)CSCC(=O)O Amb18792573 [0,1,0,0,0,1|0,0,2]=4 3400 B9R0.1 CCN(O)CCCC(=O)O Amb27630754 [0,1,0,0,0,1|1,0,1]=4 3401 B9R0.1 CCS(=O)CCNC(C)=O Amb27616407 [0,1,0,0,0,1|2,0,0]=4 3402 B9R0.1 CCS(=O)CCNC(N)=O Amb27806812 [0,1,0,0,0,1|2,0,0]=4 3403 B9R0.1 CCS(=O)NOCC(=O)O Amb27249429 [0,1,0,0,0,1|2,0,0]=4 3404 B9R0.1 CC[C@@H](O)CCCC(C)=O Amb27227255 [0,1,0,0,0,1|1,0,1]=4 3405 B9R0.1 CC[C@H](C)CCCC(=O)O Amb28313011 [0,1,0,0,0,1|1,0,1]=4 3406 B9R0.1 CC\C(C)=C\CCC(=O)O Amb27474810 [0,1,0,0,0,1|1,0,0]=3 3407 B9R0.1 CC\C(C)=C\CCC(C)=O Amb2721172 [0,1,0,0,0,1|2,0,0]=4 3408 B9R0.1 CN(C#N)CCCC(=O)O Amb28281828 [0,1,0,0,0,1|2,0,0]=4 3409 B9R0.1 CN(C)CCNC(=O)CO Amb5798178 [0,1,0,0,0,1|2,0,0]=4 3410 B9R0.1 CN(C)CCOC(=O)CO Amb33016861 [0,1,0,0,0,1|2,0,0]=4 3411 B9R0.1 CN(CCCC(=O)O)N=O Amb17618588 [0,1,0,0,0,1|1,0,0]=3 3412 B9R0.1 CNC(=N)NCCC(=O)O Amb26014274 [0,1,0,0,0,1|1,0,0]=3 3413 B9R0.1 CNC(=N)NCCC(N)=O Amb27865845 [0,1,0,0,0,1|2,0,0]=4 3414 B9R0.1 CNC(=O)CCCC(=O)[O-] Amb24271120 [0,1,0,0,0,1|0,0,1]=3 3415 B9R0.1 CNC(=O)CNCC(=O)O Amb8943036 [0,1,0,0,0,1|0,0,0]=2 3416 B9R0.1 CNC(=O)CNCC(C)=O Amb27789643 [0,1,0,0,0,1|1,0,0]=3 3417 B9R0.1 CNC(=O)CNC[C@@H](C)O Amb28188407 [0,1,0,0,0,1|1,0,1]=4 3418 B9R0.1 CNC(=O)COCC(=O)O Amb17232024 [0,1,0,0,0,1|0,0,0]=2 3419 B9R0.1 CNC(=O)CONC(C)=O Amb28315988 [0,1,0,0,0,1|2,0,0]=4 3420 B9R0.1 CNC(=O)CSCC(=O)O Amb6251930 [0,1,0,0,0,1|0,0,0]=2 3421 B9R0.1 CNC(=O)CSCC(N)=O Amb27170981 [0,1,0,0,0,1|1,0,0]=3 3422 B9R0.1 CNC(=O)CSC[C@@H](C)O Amb27790534 [0,1,0,0,0,1|1,0,1]=4 3423 B9R0.1 CNC(=O)NCCC(=O)O Amb1127025 [0,1,0,0,0,1|0,0,0]=2 3424 B9R0.1 CNC(=O)NCCC(C)O Amb27971912 [0,1,0,0,0,1|1,0,1]=4 3425 B9R0.1 CNC(=O)NOCC(=O)O Amb27970392 [0,1,0,0,0,1|1,0,0]=3 3426 B9R0.1 CNC(=S)NCCC(C)=O Amb27408306 [0,1,0,0,0,1|1,1,0]=4 3427 B9R0.1 CNC(=S)NOCC(=O)O Amb27201706 [0,1,0,0,0,1|1,1,0]=4 3428 B9R0.1 COC(=O)CCCB(O)O Amb25676456 [0,1,0,0,0,1|1,0,1]=4 3429 B9R0.1 COC(=O)CCCC(=O)Cl Amb3939328 [0,1,0,0,0,1|1,0,0]=3 3430 B9R0.1 COC(=O)CCCC(=O)O Amb2720900 [0,1,0,0,0,1|0,0,0]=2 3431 B9R0.1 COC(=O)CCCC(=O)[O-] Amb33948529 [0,1,0,0,0,1|0,0,1]=3 3432 B9R0.1 COC(=O)CCCC(C)=O Amb17846860 [0,1,0,0,0,1|0,0,0]=2 3433 B9R0.1 COC(=O)CCCC(C)Br Amb24346809 [0,1,0,0,0,1|1,0,1]=4 3434 B9R0.1 COC(=O)CCCC(C)Cl Amb24626627 [0,1,0,0,0,1|1,0,1]=4 3435 B9R0.1 COC(=O)CCCC(C)N Amb27759913 [0,1,0,0,0,1|1,0,1]=4 3436 B9R0.1 COC(=O)CCCC(C)O Amb24414468 [0,1,0,0,0,1|0,0,2]=4 3437 B9R0.1 COC(=O)CCCC(N)=O Amb27882411 [0,1,0,0,0,1|1,0,0]=3 3438 B9R0.1 COC(=O)CCCC(N)=S Amb25360938 [0,1,0,0,0,1|1,1,0]=4 3439 B9R0.1 COC(=O)CCCS(=O)Cl Amb26409514 [0,1,0,0,0,1|2,0,0]=4 3440 B9R0.1 COC(=O)CCCS(=O)[O-] Amb25914636 [0,1,0,0,0,1|1,0,1]=4 3441 B9R0.1 COC(=O)CCCS(C)=O Amb18788307 [0,1,0,0,0,1|1,0,0]=3 3442 B9R0.1 COC(=O)CCCS(N)=O Amb32720319 [0,1,0,0,0,1|2,0,0]=4 3443 B9R0.1 COC(=O)CCC[C@H](C)O Amb27839593 [0,1,0,0,0,1|0,0,2]=4 3444 B9R0.1 COC(=O)CCC[N+](=O)[O-] Amb1073683 [0,1,0,0,0,1|1,0,1]=4 3445 B9R0.1 COC(=O)CCNC(C)=O Amb15691935 [0,1,0,0,0,1|0,0,0]=2 3446 B9R0.1 COC(=O)CCNC(C)C Amb9203616 [0,1,0,0,0,1|1,0,1]=4 3447 B9R0.1 COC(=O)CCNC(N)=O Amb22740124 [0,1,0,0,0,1|1,0,0]=3 3448 B9R0.1 COC(=O)CCNN(C)C Amb24113609 [0,1,0,0,0,1|2,0,0]=4 3449 B9R0.1 COC(=O)CCOC(C)=O Amb27972208 [0,1,0,0,0,1|0,0,0]=2 3450 B9R0.1 COC(=O)CCOC(C)C Amb9206383 [0,1,0,0,0,1|1,0,1]=4 3451 B9R0.1 COC(=O)CCO[N+](=O)[O-] Amb27424870 [0,1,0,0,0,1|1,0,1]=4 3452 B9R0.1 COC(=O)CCSC(=O)Cl Amb26446360 [0,1,0,0,0,1|1,0,0]=3 3453 B9R0.1 COC(=O)CCSC(N)=O Amb28254662 [0,1,0,0,0,1|1,0,0]=3 3454 B9R0.1 COC(=O)CC\N=C(/C)N Amb27826068 [0,1,0,0,0,1|1,0,0]=3 3455 B9R0.1 COC(=O)CNCC(=O)O Amb7766422 [0,1,0,0,0,1|0,0,0]=2 3456 B9R0.1 COC(=O)CNCC(C)C Amb6686983 [0,1,0,0,0,1|1,0,1]=4 3457 B9R0.1 COC(=O)CNCC(C)O Amb9247006 [0,1,0,0,0,1|0,0,2]=4 3458 B9R0.1 COC(=O)CNCN(C)C Amb28041215 [0,1,0,0,0,1|2,0,0]=4 3459 B9R0.1 COC(=O)COCC(=O)O Amb25305044 [0,1,0,0,0,1|0,0,0]=2 3460 B9R0.1 COC(=O)COCC(C)=O Amb8392403 [0,1,0,0,0,1|0,0,0]=2 3461 B9R0.1 COC(=O)COCC(C)C Amb9206382 [0,1,0,0,0,1|1,0,1]=4 3462 B9R0.1 COC(=O)CSCC(=O)O Amb33532171 [0,1,0,0,0,1|0,0,0]=2 3463 B9R0.1 COC(=O)CSCC(C)=O Amb2444691 [0,1,0,0,0,1|0,0,0]=2 3464 B9R0.1 COC(=O)CSCC(C)C Amb839626 [0,1,0,0,0,1|1,0,1]=4 3465 B9R0.1 COC(=O)CSCC(C)N Amb27770371 [0,1,0,0,0,1|1,0,1]=4 3466 B9R0.1 COC(=O)CSCC(C)O Amb18792574 [0,1,0,0,0,1|0,0,2]=4 3467 B9R0.1 COC(=O)C\C=C\C(C)=O Amb25205440 [0,1,0,0,0,1|0,0,1]=3 3468 B9R0.1 COC(=O)C\N=C\C(C)=O Amb28052024 [0,1,0,0,0,1|0,0,1]=3 3469 B9R0.1 COC(=O)NCCC(=O)O Amb6468177 [0,1,0,0,0,1|0,0,0]=2 3470 B9R0.1 COC(=O)NCC[C@H](C)O Amb27663109 [0,1,0,0,0,1|0,0,2]=4 3471 B9R0.1 COC(=O)N\C=C/C(C)=O Amb27627638 [0,1,0,0,0,1|0,0,2]=4 3472 B9R0.1 COC(=O)N\N=C\C(=O)O Amb24427251 [0,1,0,0,0,1|1,0,1]=4 3473 B9R0.1 COC(=O)OC#CC(C)=O Amb24415049 [0,1,0,0,0,1|0,0,2]=4 3474 B9R0.1 COC(=O)OCCC(C)=O Amb28049880 [0,1,0,0,0,1|0,0,0]=2 3475 B9R0.1 COC(=O)OCCC(C)C Amb27777595 [0,1,0,0,0,1|1,0,1]=4 3476 B9R0.1 COC(=O)\C=C/NC(C)=O Amb28067616 [0,1,0,0,0,1|0,0,2]=4 3477 B9R0.1 COC(=S)NCCC(N)=O Amb28126714 [0,1,0,0,0,1|1,1,0]=4 3478 B9R0.1 COC(=S)SCCC(=O)O Amb27983821 [0,1,0,0,0,1|0,1,0]=3 3479 B9R0.1 COC(C)CCNC(C)=O Amb27260083 [0,1,0,0,0,1|1,0,1]=4 3480 B9R0.1 COC(C)CCOC(C)=O Amb19958959 [0,1,0,0,0,1|1,0,1]=4 3481 B9R0.1 COC(C)OCCC(C)=O Amb27267196 [0,1,0,0,0,1|1,0,1]=4 3482 B9R0.1 CON(C)CCCC(=O)O Amb28126925 [0,1,0,0,0,1|1,0,1]=4 3483 B9R0.1 CON(C)CCNC(C)=O Amb27822674 [0,1,0,0,0,1|2,0,0]=4 3484 B9R0.1 CS(=O)CCNC(=O)CCl Amb27852973 [0,1,0,0,0,1|2,0,0]=4 3485 B9R0.1 CS(=O)CCNC(=O)CN Amb27451738 [0,1,0,0,0,1|2,0,0]=4 3486 B9R0.1 CS(=O)CCN\C(N)=N\O Amb27765995 [0,1,0,0,0,1|2,0,0]=4 3487 B9R0.1 CSC(=N)NCCC(=O)O Amb28193743 [0,1,0,0,0,1|1,0,0]=3 3488 B9R0.1 C\C(=C/Cl)CNCC(N)=O Amb27979447 [0,1,0,0,0,1|2,0,0]=4 3489 B9R0.1 C\C(C=O)=C/CCC(C)O Amb27598642 [0,1,0,0,0,1|1,0,1]=4 3490 B9R0.1 C\C(C=O)=C\CCC(C)O Amb27841297 [0,1,0,0,0,1|1,0,1]=4 3491 B9R0.1 C\C(CCCC(=O)O)=N/O Amb27779283 [0,1,0,0,0,1|0,0,1]=3 3492 B9R0.1 C\C(CCl)=N/OCC(=O)O Amb27831952 [0,1,0,0,0,1|2,0,0]=4 3493 B9R0.1 C\C(CF)=N/OCC(=O)O Amb27174879 [0,1,0,0,0,1|2,0,0]=4 3494 B9R0.1 N=C(CN)NCCC(=O)O Amb28346899 [0,1,0,0,0,1|1,0,0]=3 3495 B9R0.1 NC(=O)CCNC(=O)CBr Amb27786158 [0,1,0,0,0,1|1,0,0]=3 3496 B9R0.1 NC(=O)CCNC(=O)CCl Amb9415901 [0,1,0,0,0,1|1,0,0]=3 3497 B9R0.1 NC(=O)CCNC(=O)CS Amb27981235 [0,1,0,0,0,1|1,0,0]=3 3498 B9R0.1 NC(=O)CCOC(=O)CO Amb28136694 [0,1,0,0,0,1|1,0,0]=3 3499 B9R0.1 NC(=O)CNC\C(N)=N\O Amb27949308 [0,1,0,0,0,1|2,0,0]=4 3500 B9R0.1 NC(=O)CONC(=O)CCl Amb27945304 [0,1,0,0,0,1|2,0,0]=4 3501 B9R0.1 NC(=O)CSCC(=O)NO Amb27764593 [0,1,0,0,0,1|1,0,0]=3 3502 B9R0.1 NC(CO)CCCC(=O)O Amb25889148 [0,1,0,0,0,1|1,0,1]=4 3503 B9R0.1 NCC(=O)CCCC(=O)O Amb22035333 [0,1,0,0,0,1|0,0,0]=2 3504 B9R0.1 NCC(=O)CNCB(O)O Amb24591556 [0,1,0,0,0,1|1,0,1]=4 3505 B9R0.1 NCC(=O)CNCC(=O)O Amb27979091 [0,1,0,0,0,1|0,0,0]=2 3506 B9R0.1 NCC(=O)NCCC(=O)O Amb4018061 [0,1,0,0,0,1|0,0,0]=2 3507 B9R0.1 NCC(=O)NNCC(N)=O Amb28313796 [0,1,0,0,0,1|2,0,0]=4 3508 B9R0.1 NCC(=O)ONCC(=O)O Amb27625948 [0,1,0,0,0,1|1,0,0]=3 3509 B9R0.1 NC[C@@H](N)CCCC(=O)O Amb33756779 [0,1,0,0,0,1|1,0,1]=4 3510 B9R0.1 N[C@H](CO)CCCC(=O)O Amb27751891 [0,1,0,0,0,1|1,0,1]=4 3511 B9R0.1 N\C(CNCC(=O)O)=N/O Amb27881601 [0,1,0,0,0,1|1,0,1]=4 3512 B9R0.1 N\N=C(/N)NCCC(=O)O Amb24682101 [0,1,0,0,0,1|2,0,0]=4 3513 B9R0.1 O=C(O)CCCC(=O)CO Amb27493969 [0,1,0,0,0,1|0,0,0]=2 3514 B9R0.1 O=C(O)CCCC(=O)NO Amb27494720 [0,1,0,0,0,1|1,0,0]=3 3515 B9R0.1 O=C(O)CCCC(Cl)CCl Amb18649051 [0,1,0,0,0,1|1,0,1]=4 3516 B9R0.1 O=C(O)CCNC(=O)CBr Amb17609911 [0,1,0,0,0,1|0,0,0]=2 3517 B9R0.1 O=C(O)CCNC(=O)CCl Amb2781692 [0,1,0,0,0,1|0,0,0]=2 3518 B9R0.1 O=C(O)CCNC(=O)CO Amb24478846 [0,1,0,0,0,1|0,0,0]=2 3519 B9R0.1 O=C(O)CCS\C(Cl)=C\Cl Amb27797305 [0,1,0,0,0,1|1,0,1]=4 3520 B9R0.1 O=C(O)CSCC(O)CCl Amb27858669 [0,1,0,0,0,1|0,0,2]=4 3521 B9R0.1 O=C(O)\C=C\NC(=O)CCl Amb27494076 [0,1,0,0,0,1|0,0,2]=4 3522 B9R0.1 O=CN(O)CCCC(=O)O Amb25320259 [0,1,0,0,0,1|2,0,0]=4 3523 B9R0.7 C=C(Br)CNC(C)C(=O)O Amb18303282 [0,1,0,0,0,1|1,0,1]=4 3524 B9R0.7 C=C(Br)CN[C@@H](C)C(=O)O Amb27174841 [0,1,0,0,0,1|1,0,1]=4 3525 B9R0.7 C=C(C)C(=O)CCC(C)=O Amb28202297 [0,1,0,0,0,1|2,0,0]=4 3526 B9R0.7 C=C(C)C(=O)NCC(=O)O Amb16232088 [0,1,0,0,0,1|1,0,1]=4 3527 B9R0.7 C=C(C)C(=O)OCC(=O)O Amb18644056 [0,1,0,0,0,1|1,0,1]=4 3528 B9R0.7 C=C(C)C(C)CCC(=O)O Amb27254117 [0,1,0,0,0,1|1,0,0]=3 3529 B9R0.7 C=C(C)C(Cl)COC(C)=O Amb28137880 [0,1,0,0,0,1|2,0,0]=4 3530 B9R0.7 C=C(C)C(N)CCC(=O)O Amb33199957 [0,1,0,0,0,1|1,0,0]=3 3531 B9R0.7 C=C(C)C(O)COC(C)=O Amb27170291 [0,1,0,0,0,1|2,0,0]=4 3532 B9R0.7 C=C(C)CCC(=C)C(=O)O Amb28047421 [0,1,0,0,0,1|1,0,0]=3 3533 B9R0.7 C=C(C)CCC(C)C(=O)O Amb25809141 [0,1,0,0,0,1|1,0,0]=3 3534 B9R0.7 C=C(C)CCC(C)C(C)=O Amb27753284 [0,1,0,0,0,1|2,0,0]=4 3535 B9R0.7 C=C(C)CCC(N)C(=O)O Amb28121242 [0,1,0,0,0,1|1,0,0]=3 3536 B9R0.7 C=C(C)CCC(N)C(N)=O Amb27188568 [0,1,0,0,0,1|2,0,0]=4 3537 B9R0.7 C=C(C)CCC(O)C(=O)O Amb27436256 [0,1,0,0,0,1|1,0,0]=3 3538 B9R0.7 C=C(C)CC[C@@H](N)C(=O)O Amb25775219 [0,1,0,0,0,1|1,0,0]=3 3539 B9R0.7 C=C(C)CC[C@H](N)C(=O)O Amb25948355 [0,1,0,0,0,1|1,0,0]=3 3540 B9R0.7 C=C(C)COC(C)C(C)=O Amb27476278 [0,1,0,0,0,1|2,0,0]=4 3541 B9R0.7 C=C(C)CSC(C)C(=O)O Amb6263518 [0,1,0,0,0,1|1,0,0]=3 3542 B9R0.7 C=C(C)CSC(C)C(C)=O Amb28381627 [0,1,0,0,0,1|2,0,0]=4 3543 B9R0.7 C=C(C)CSC(C)C(N)=O Amb27804797 [0,1,0,0,0,1|2,0,0]=4 3544 B9R0.7 C=C(C)[C@@H](C)CCC(C)=O Amb24583145 [0,1,0,0,0,1|2,0,0]=4 3545 B9R0.7 C=C(CCC(=O)O)C(=O)O Amb8391367 [0,1,0,0,0,1|1,0,0]=3 3546 B9R0.7 C=C(CCC(=O)O)C(C)=O Amb27814984 [0,1,0,0,0,1|0,0,0]=2 3547 B9R0.7 C=C(CCC(=O)O)C(C)C Amb28050060 [0,1,0,0,0,1|1,0,1]=4 3548 B9R0.7 C=C(CCC(C)=O)C(C)=O Amb25303019 [0,1,0,0,0,1|1,0,0]=3 3549 B9R0.7 C=C(CCC(C)=O)[N+](=O)[O-] Amb27955105 [0,1,0,0,0,1|1,0,1]=4 3550 B9R0.7 C=C(CCN(C)C)C(=O)O Amb28903893 [0,1,0,0,0,1|2,0,0]=4 3551 B9R0.7 C=C(CCN(C)C)C(=O)O Amb32667385 [0,1,0,0,0,1|2,0,0]=4 3552 B9R0.7 C=C(COC(C)=O)C(C)=O Amb25359020 [0,1,0,0,0,1|1,0,1]=4 3553 B9R0.7 C=C(Cl)CCC(N)C(=O)O Amb27424777 [0,1,0,0,0,1|1,0,1]=4 3554 B9R0.7 C=C(Cl)CSC(C)C(C)=O Amb27588631 [0,1,0,0,0,1|2,0,0]=4 3555 B9R0.7 C=C(F)C(N)CCC(=O)O Amb27849938 [0,1,0,0,0,1|1,0,1]=4 3556 B9R0.7 CC(=N)N(C)CCC(=O)O Amb27242469 [0,1,0,0,0,1|1,0,0]=3 3557 B9R0.7 CC(=N)SCC(Cl)C(N)=O Amb28245419 [0,1,0,0,0,1|2,0,0]=4 3558 B9R0.7 CC(=O)C(=O)NCC(=O)O Amb17593639 [0,1,0,0,0,1|0,0,1]=3 3559 B9R0.7 CC(=O)C(=O)OCC(=O)O Amb28126708 [0,1,0,0,0,1|0,0,1]=3 3560 B9R0.7 CC(=O)C(=O)\C=C\C(=O)O Amb27803733 [0,1,0,0,0,1|0,0,2]=4 3561 B9R0.7 CC(=O)C(Br)CC=C(C)C Amb27614912 [0,1,0,0,0,1|2,0,0]=4 3562 B9R0.7 CC(=O)C(C)CC=C(Cl)Cl Amb35704014 [0,1,0,0,0,1|2,0,0]=4 3563 B9R0.7 CC(=O)C(C)CCC(=O)O Amb4020917 [0,1,0,0,0,1|0,0,0]=2 3564 B9R0.7 CC(=O)C(C)CCC(C)O Amb27823560 [0,1,0,0,0,1|1,0,1]=4 3565 B9R0.7 CC(=O)C(C)CCC(N)=O Amb25843826 [0,1,0,0,0,1|1,0,0]=3 3566 B9R0.7 CC(=O)C(C)CCS(C)=O Amb27783563 [0,1,0,0,0,1|2,0,0]=4 3567 B9R0.7 CC(=O)C(C)CNC(=S)S Amb27439330 [0,1,0,0,0,1|0,2,0]=4 3568 B9R0.7 CC(=O)C(C)SCC(C)O Amb27651284 [0,1,0,0,0,1|1,0,1]=4 3569 B9R0.7 CC(=O)C(C)SCC(N)=O Amb28206699 [0,1,0,0,0,1|1,0,0]=3 3570 B9R0.7 CC(=O)C(F)CC=C(C)C Amb27599420 [0,1,0,0,0,1|2,0,0]=4 3571 B9R0.7 CC(=O)C(F)CCC(=O)O Amb27620074 [0,1,0,0,0,1|0,0,0]=2 3572 B9R0.7 CC(=O)C(N)CCC(=O)O Amb27875288 [0,1,0,0,0,1|0,0,0]=2 3573 B9R0.7 CC(=O)C(O)CCC(=O)O Amb27826305 [0,1,0,0,0,1|0,0,0]=2 3574 B9R0.7 CC(=O)CCC(=O)C(C)=O Amb25852390 [0,1,0,0,0,1|1,0,0]=3 3575 B9R0.7 CC(=O)CCC(C)=C(C)C Amb27799949 [0,1,0,0,0,1|2,0,0]=4 3576 B9R0.7 CC(=O)CCC(C)C(C)O Amb27838958 [0,1,0,0,0,1|1,0,1]=4 3577 B9R0.7 CC(=O)CCC(Cl)C(C)=O Amb27444965 [0,1,0,0,0,1|1,0,0]=3 3578 B9R0.7 CC(=O)CCC(F)=C(F)F Amb16185918 [0,1,0,0,0,1|2,0,0]=4 3579 B9R0.7 CC(=O)CCC(N)C(=O)O Amb20669473 [0,1,0,0,0,1|0,0,0]=2 3580 B9R0.7 CC(=O)CCC(N)C(=O)O Amb22157242 [0,1,0,0,0,1|0,0,0]=2 3581 B9R0.7 CC(=O)CCC(N)C(N)=O Amb26649117 [0,1,0,0,0,1|1,0,0]=3 3582 B9R0.7 CC(=O)CC[C@@H](C)[C@@H](C)O Amb25984868 [0,1,0,0,0,1|1,0,1]=4 3583 B9R0.7 CC(=O)CC[C@@H](N)C(=O)O Amb26516732 [0,1,0,0,0,1|0,0,0]=2 3584 B9R0.7 CC(=O)CC[C@H](C)[C@@H](C)O Amb22747043 [0,1,0,0,0,1|1,0,1]=4 3585 B9R0.7 CC(=O)CC[C@H](N)C(=O)O Amb25147501 [0,1,0,0,0,1|0,0,0]=2 3586 B9R0.7 CC(=O)CNC(=O)C(=O)O Amb24480846 [0,1,0,0,0,1|0,0,1]=3 3587 B9R0.7 CC(=O)COC(=O)C(C)=O Amb27212481 [0,1,0,0,0,1|1,0,1]=4 3588 B9R0.7 CC(=O)CSC(C)C(=O)O Amb17501621 [0,1,0,0,0,1|0,0,0]=2 3589 B9R0.7 CC(=O)CSC(C)C(C)O Amb28344436 [0,1,0,0,0,1|1,0,1]=4 3590 B9R0.7 CC(=O)CSC(C)C(N)=O Amb27949123 [0,1,0,0,0,1|1,0,0]=3 3591 B9R0.7 CC(=O)C\C=C(/C)C(C)=O Amb27264520 [0,1,0,0,0,1|1,0,1]=4 3592 B9R0.7 CC(=O)N(C)CCC(=O)O Amb2691290 [0,1,0,0,0,1|0,0,0]=2 3593 B9R0.7 CC(=O)N(C)CCC(N)=S Amb33533008 [0,1,0,0,0,1|1,1,0]=4 3594 B9R0.7 CC(=O)N(O)CCC(=O)O Amb28050128 [0,1,0,0,0,1|0,0,0]=2 3595 B9R0.7 CC(=O)NCC(C)S(C)=O Amb28137643 [0,1,0,0,0,1|2,0,0]=4 3596 B9R0.7 CC(=O)NCC(N)C(=O)O Amb26046380 [0,1,0,0,0,1|0,0,0]=2 3597 B9R0.7 CC(=O)NC[C@H](C)C(=O)O Amb27472985 [0,1,0,0,0,1|0,0,0]=2 3598 B9R0.7 CC(=O)NOC(C)C(N)=O Amb28206966 [0,1,0,0,0,1|2,0,0]=4 3599 B9R0.7 CC(=O)OCC(=O)C(C)=O Amb25094676 [0,1,0,0,0,1|1,0,1]=4 3600 B9R0.7 CC(=O)OCC(C)C(=O)O Amb28050166 [0,1,0,0,0,1|0,0,0]=2 3601 B9R0.7 CC(=O)OCC(C)C(C)=O Amb27471984 [0,1,0,0,0,1|1,0,0]=3 3602 B9R0.7 CC(=O)OCC(N)C(=O)O Amb17593668 [0,1,0,0,0,1|0,0,0]=2 3603 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O Amb2699176 [0,1,0,0,0,1|0,0,0]=2 3604 B9R0.7 CC(=O)OC[C@@H]([NH3+])C(=O)O Amb3499386 [0,1,0,0,0,1|0,0,0]=2 3605 B9R0.7 CC(=O)OC[C@H](C)C(=O)O Amb28340504 [0,1,0,0,0,1|0,0,0]=2 3606 B9R0.7 CC(=O)OC[C@H](C)C(C)=O Amb28049898 [0,1,0,0,0,1|1,0,0]=3 3607 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb2778750 [0,1,0,0,0,1|0,0,0]=2 3608 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb33757552 [0,1,0,0,0,1|0,0,0]=2 3609 B9R0.7 CC(=O)ONC(C)C(=O)O Amb27765574 [0,1,0,0,0,1|1,0,0]=3 3610 B9R0.7 CC(=O)O\C=C(\F)C(=O)O Amb27236545 [0,1,0,0,0,1|0,0,2]=4 3611 B9R0.7 CC(=O)O\N=C(/C)C(=O)O Amb27473311 [0,1,0,0,0,1|1,0,1]=4 3612 B9R0.7 CC(=O)SCC(C)C(=O)O Amb2732386 [0,1,0,0,0,1|0,0,0]=2 3613 B9R0.7 CC(=O)SCC(C)C(N)=O Amb22586594 [0,1,0,0,0,1|1,0,0]=3 3614 B9R0.7 CC(=O)SCC(Cl)C(=O)Cl Amb28247162 [0,1,0,0,0,1|1,0,0]=3 3615 B9R0.7 CC(=O)SCC(N)C(=O)O Amb22490452 [0,1,0,0,0,1|0,0,0]=2 3616 B9R0.7 CC(=O)SCC(O)C(=O)O Amb31030973 [0,1,0,0,0,1|0,0,0]=2 3617 B9R0.7 CC(=O)SC[C@@H](C)C(=O)Cl Amb26641827 [0,1,0,0,0,1|1,0,0]=3 3618 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O Amb8628177 [0,1,0,0,0,1|0,0,0]=2 3619 B9R0.7 CC(=O)SC[C@H](C)C(=O)Cl Amb25230202 [0,1,0,0,0,1|1,0,0]=3 3620 B9R0.7 CC(=O)[C@H](C)CCC(=O)O Amb24671283 [0,1,0,0,0,1|0,0,0]=2 3621 B9R0.7 CC(C)=CCC(C)C(=O)O Amb18643879 [0,1,0,0,0,1|1,0,0]=3 3622 B9R0.7 CC(C)=CCC(N)C(=O)O Amb6276273 [0,1,0,0,0,1|1,0,0]=3 3623 B9R0.7 CC(C)=CCC(N)C(N)=O Amb24697159 [0,1,0,0,0,1|2,0,0]=4 3624 B9R0.7 CC(C)=CC[C@@H](N)C(=O)O Amb27254062 [0,1,0,0,0,1|1,0,0]=3 3625 B9R0.7 CC(C)=CC[C@H](N)C(=O)O Amb25836895 [0,1,0,0,0,1|1,0,0]=3 3626 B9R0.7 CC(C)=NOC(C)C(=O)O Amb9814220 [0,1,0,0,0,1|2,0,0]=4 3627 B9R0.7 CC(C)=NO[C@H](C)C(=O)O Amb27831924 [0,1,0,0,0,1|2,0,0]=4 3628 B9R0.7 CC(C)C(N)CCC(=O)O Amb18124745 [0,1,0,0,0,1|1,0,1]=4 3629 B9R0.7 CC(C)C(O)CCC(=O)O Amb25252592 [0,1,0,0,0,1|1,0,1]=4 3630 B9R0.7 CC(C)CCC(=O)C(=O)O Amb26508699 [0,1,0,0,0,1|1,0,1]=4 3631 B9R0.7 CC(C)CCC(Br)C(=O)O Amb18131059 [0,1,0,0,0,1|1,0,1]=4 3632 B9R0.7 CC(C)CCC(C)C(=O)O Amb19033547 [0,1,0,0,0,1|1,0,1]=4 3633 B9R0.7 CC(C)CCC(F)C(=O)O Amb26612835 [0,1,0,0,0,1|1,0,1]=4 3634 B9R0.7 CC(C)CCC(N)C(=O)O Amb19269152 [0,1,0,0,0,1|1,0,1]=4 3635 B9R0.7 CC(C)CCC(N)C(=O)O Amb6269218 [0,1,0,0,0,1|1,0,1]=4 3636 B9R0.7 CC(C)CCC(O)C(=O)O Amb27788603 [0,1,0,0,0,1|1,0,1]=4 3637 B9R0.7 CC(C)CC[C@@H](C)C(=O)O Amb26983027 [0,1,0,0,0,1|1,0,1]=4 3638 B9R0.7 CC(C)CC[C@@H](N)C(=O)O Amb19133196 [0,1,0,0,0,1|1,0,1]=4 3639 B9R0.7 CC(C)CC[C@@H](N)C(=O)O Amb22899130 [0,1,0,0,0,1|1,0,1]=4 3640 B9R0.7 CC(C)CC[C@H](C)C(=O)O Amb27227250 [0,1,0,0,0,1|1,0,1]=4 3641 B9R0.7 CC(C)CC[C@H](N)C(=O)O Amb16183866 [0,1,0,0,0,1|1,0,1]=4 3642 B9R0.7 CC(C)CC[C@H](N)C(=O)O Amb33339290 [0,1,0,0,0,1|1,0,1]=4 3643 B9R0.7 CC(C)CNC(C)C(=O)O Amb9326958 [0,1,0,0,0,1|1,0,1]=4 3644 B9R0.7 CC(C)CN[C@@H](C)C(=O)O Amb27872965 [0,1,0,0,0,1|1,0,1]=4 3645 B9R0.7 CC(C)COC(C)C(=O)O Amb6258223 [0,1,0,0,0,1|1,0,1]=4 3646 B9R0.7 CC(C)COC(F)C(=O)O Amb27825878 [0,1,0,0,0,1|1,0,1]=4 3647 B9R0.7 CC(C)CSC(C)C(=O)O Amb6270237 [0,1,0,0,0,1|1,0,1]=4 3648 B9R0.7 CC(C)N(C)CCC(=O)O Amb6611753 [0,1,0,0,0,1|1,0,1]=4 3649 B9R0.7 CC(C)N(C)CCC(=O)O Amb8428206 [0,1,0,0,0,1|1,0,1]=4 3650 B9R0.7 CC(C)NCC(C)C(=O)O Amb9400283 [0,1,0,0,0,1|1,0,1]=4 3651 B9R0.7 CC(C)OCC(C)C(=O)O Amb26037515 [0,1,0,0,0,1|1,0,1]=4 3652 B9R0.7 CC(C)OCC(Cl)C(=O)O Amb27770474 [0,1,0,0,0,1|1,0,1]=4 3653 B9R0.7 CC(C)OCC(N)C(=O)O Amb25956723 [0,1,0,0,0,1|1,0,1]=4 3654 B9R0.7 CC(C)OCC(N)C(=O)O Amb32665467 [0,1,0,0,0,1|1,0,1]=4 3655 B9R0.7 CC(C)OCC(O)C(=O)O Amb24583914 [0,1,0,0,0,1|1,0,1]=4 3656 B9R0.7 CC(C)OC[C@@H](N)C(=O)O Amb24479342 [0,1,0,0,0,1|1,0,1]=4 3657 B9R0.7 CC(C)OC[C@H](N)C(=O)O Amb26960408 [0,1,0,0,0,1|1,0,1]=4 3658 B9R0.7 CC(C)OC[C@H](N)C(=O)O Amb32664966 [0,1,0,0,0,1|1,0,1]=4 3659 B9R0.7 CC(C)SCC(N)C(=O)O Amb6273927 [0,1,0,0,0,1|1,0,1]=4 3660 B9R0.7 CC(C)[C@@H](O)CCC(=O)O Amb28314215 [0,1,0,0,0,1|1,0,1]=4 3661 B9R0.7 CC(CCC(=O)O)C(=O)O Amb6296609 [0,1,0,0,0,1|1,0,0]=3 3662 B9R0.7 CC(CCC(=O)O)N(C)C Amb32654401 [0,1,0,0,0,1|2,0,0]=4 3663 B9R0.7 CC(CCC(=O)O)N(C)C Amb8010013 [0,1,0,0,0,1|2,0,0]=4 3664 B9R0.7 CC(CCN(C)C)C(=O)O Amb26502003 [0,1,0,0,0,1|2,0,0]=4 3665 B9R0.7 CC(CCN(C)C)C(=O)O Amb32675008 [0,1,0,0,0,1|2,0,0]=4 3666 B9R0.7 CC(CCS(C)=O)C(=O)O Amb27237254 [0,1,0,0,0,1|1,0,0]=3 3667 B9R0.7 CC(CC[N+](=O)[O-])C(=O)O Amb27425087 [0,1,0,0,0,1|2,0,0]=4 3668 B9R0.7 CC(CNC(=N)N)C(=O)O Amb28050103 [0,1,0,0,0,1|2,0,0]=4 3669 B9R0.7 CC(CNC(=O)Cl)S(C)=O Amb35633595 [0,1,0,0,0,1|2,0,0]=4 3670 B9R0.7 CC(CNC(N)=O)C(=O)O Amb18298054 [0,1,0,0,0,1|1,0,0]=3 3671 B9R0.7 CC(CNC(N)=O)S(C)=O Amb27765013 [0,1,0,0,0,1|2,0,0]=4 3672 B9R0.7 CC(CNN(C)C)C(=O)O Amb27855116 [0,1,0,0,0,1|2,0,0]=4 3673 B9R0.7 CC(CSC(=N)N)C(=O)O Amb27392409 [0,1,0,0,0,1|2,0,0]=4 3674 B9R0.7 CC(Cl)C(=O)CCC(=O)O Amb25362323 [0,1,0,0,0,1|1,0,1]=4 3675 B9R0.7 CC(F)C(N)CCC(=O)O Amb27207659 [0,1,0,0,0,1|1,0,1]=4 3676 B9R0.7 CC(N)C(O)CCC(=O)O Amb27881667 [0,1,0,0,0,1|1,0,1]=4 3677 B9R0.7 CC(N)CCC(O)C(=O)O Amb28436655 [0,1,0,0,0,1|1,0,1]=4 3678 B9R0.7 CC(NCC(=O)O)C(=O)O Amb26506272 [0,1,0,0,0,1|1,0,0]=3 3679 B9R0.7 CC(NCC(=O)O)C(=O)O Amb3427836 [0,1,0,0,0,1|1,0,0]=3 3680 B9R0.7 CC(NCC(=O)O)C(N)=O Amb9285399 [0,1,0,0,0,1|1,0,0]=3 3681 B9R0.7 CC(NC[C@@H](C)O)C(=O)O Amb27617222 [0,1,0,0,0,1|0,0,2]=4 3682 B9R0.7 CC(NC[C@H](C)O)C(=O)O Amb27248684 [0,1,0,0,0,1|0,0,2]=4 3683 B9R0.7 CC(NNC(N)=O)C(=O)O Amb26391983 [0,1,0,0,0,1|2,0,0]=4 3684 B9R0.7 CC(O)C(C)CCC(=O)O Amb27424805 [0,1,0,0,0,1|0,0,2]=4 3685 B9R0.7 CC(O)C(C)NCC(=O)O Amb27444950 [0,1,0,0,0,1|0,0,2]=4 3686 B9R0.7 CC(O)CCC(=O)C(=O)O Amb27799217 [0,1,0,0,0,1|0,0,2]=4 3687 B9R0.7 CC(O)CCC(N)C(=O)O Amb26598749 [0,1,0,0,0,1|0,0,2]=4 3688 B9R0.7 CC(O)CC[C@@H](N)C(=O)O Amb28126862 [0,1,0,0,0,1|0,0,2]=4 3689 B9R0.7 CC(O)CC[C@H](N)C(=O)O Amb26346481 [0,1,0,0,0,1|0,0,2]=4 3690 B9R0.7 CC(O)CNC(C)C(=O)O Amb18523859 [0,1,0,0,0,1|0,0,2]=4 3691 B9R0.7 CC(O)CN[C@H](C)C(=O)O Amb28246243 [0,1,0,0,0,1|0,0,2]=4 3692 B9R0.7 CC(O)CO[C@@H](C)C(=O)O Amb27273395 [0,1,0,0,0,1|0,0,2]=4 3693 B9R0.7 CC(O)NC[C@H](N)C(=O)O Amb24575047 [0,1,0,0,0,1|0,0,2]=4 3694 B9R0.7 CC(O)OC[C@@H](N)C(=O)O Amb28348403 [0,1,0,0,0,1|0,0,2]=4 3695 B9R0.7 CC(SCC(=O)O)C(=O)O Amb2431034 [0,1,0,0,0,1|1,0,0]=3 3696 B9R0.7 CC(SCC(N)=O)C(N)=O Amb27184474 [0,1,0,0,0,1|2,0,0]=4 3697 B9R0.7 CN(C)C(=O)CCC(=O)O Amb1135807 [0,1,0,0,0,1|2,0,0]=4 3698 B9R0.7 CN(C)CCC(=O)C(=O)O Amb33272647 [0,1,0,0,0,1|2,0,0]=4 3699 B9R0.7 CN(C)CCC(F)C(=O)O Amb27959150 [0,1,0,0,0,1|2,0,0]=4 3700 B9R0.7 CN(C)CCC(N)C(=O)O Amb32661000 [0,1,0,0,0,1|2,0,0]=4 3701 B9R0.7 CN(C)CCC(N)C(=O)O Amb6259376 [0,1,0,0,0,1|2,0,0]=4 3702 B9R0.7 CN(C)CCC(O)C(=O)O Amb26847402 [0,1,0,0,0,1|2,0,0]=4 3703 B9R0.7 CN(C)CC[C@@H](N)C(=O)O Amb26453522 [0,1,0,0,0,1|2,0,0]=4 3704 B9R0.7 CN(C)CC[C@H](N)C(=O)O Amb25108550 [0,1,0,0,0,1|2,0,0]=4 3705 B9R0.7 CN(C)NCC(N)C(=O)O Amb28045970 [0,1,0,0,0,1|2,0,0]=4 3706 B9R0.7 CN(CCC(=O)O)C(=N)N Amb27389762 [0,1,0,0,0,1|2,0,0]=4 3707 B9R0.7 CN(CCC(=O)O)C(N)=O Amb18984979 [0,1,0,0,0,1|1,0,0]=3 3708 B9R0.7 CN(CCC(=O)O)[N+](=O)[O-] Amb23481534 [0,1,0,0,0,1|2,0,0]=4 3709 B9R0.7 CN(CCC(N)=O)C(N)=O Amb28316022 [0,1,0,0,0,1|2,0,0]=4 3710 B9R0.7 CN(O)C(=O)CCC(=O)O Amb27460547 [0,1,0,0,0,1|1,0,1]=4 3711 B9R0.7 CN(O)CC[C@H](N)C(=O)O Amb27640254 [0,1,0,0,0,1|1,0,1]=4 3712 B9R0.7 CS(=N)CCC(N)C(=O)O Amb25243030 [0,1,0,0,0,1|2,0,0]=4 3713 B9R0.7 CS(=O)CCC(N)C(=O)O Amb6336322 [0,1,0,0,0,1|1,0,0]=3 3714 B9R0.7 CS(=O)CCC(N)C(N)=O Amb25869966 [0,1,0,0,0,1|2,0,0]=4 3715 B9R0.7 CS(=O)CCC(O)C(=O)O Amb28118981 [0,1,0,0,0,1|1,0,0]=3 3716 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O Amb19133021 [0,1,0,0,0,1|1,0,0]=3 3717 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Amb6600089 [0,1,0,0,0,1|1,0,0]=3 3718 B9R0.7 CS(=O)NCC(N)C(=O)O Amb28122995 [0,1,0,0,0,1|1,0,0]=3 3719 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O Amb22799543 [0,1,0,0,0,1|1,0,0]=3 3720 B9R0.7 C[C@@H](CC[N+](=O)[O-])C(=O)O Amb24330210 [0,1,0,0,0,1|2,0,0]=4 3721 B9R0.7 C[C@@H](CNC(N)=O)C(=O)O Amb10844047 [0,1,0,0,0,1|1,0,0]=3 3722 B9R0.7 C[C@@H](F)[C@@H](N)CCC(=O)O Amb27604296 [0,1,0,0,0,1|1,0,1]=4 3723 B9R0.7 C[C@@H](F)[C@H](O)CCC(=O)O Amb28256347 [0,1,0,0,0,1|1,0,1]=4 3724 B9R0.7 C[C@@H](N)CC[C@@H](O)C(=O)O Amb27815031 [0,1,0,0,0,1|1,0,1]=4 3725 B9R0.7 C[C@@H](N)CN[C@H](C)C(=O)O Amb27646700 [0,1,0,0,0,1|1,0,1]=4 3726 B9R0.7 C[C@@H](N)[C@@H](O)CCC(=O)O Amb27655533 [0,1,0,0,0,1|1,0,1]=4 3727 B9R0.7 C[C@@H](NCC(=O)O)C(=O)O Amb22748947 [0,1,0,0,0,1|1,0,0]=3 3728 B9R0.7 C[C@@H](O)[C@H](O)CCC(=O)O Amb27628876 [0,1,0,0,0,1|0,0,2]=4 3729 B9R0.7 C[C@H](CCC(=O)O)C(=O)O Amb22225175 [0,1,0,0,0,1|1,0,0]=3 3730 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O Amb13883662 [0,1,0,0,0,1|2,0,0]=4 3731 B9R0.7 C[C@H](CNC(N)=O)C(=O)O Amb27235917 [0,1,0,0,0,1|1,0,0]=3 3732 B9R0.7 C[C@H](F)[C@H](O)CCC(=O)O Amb28126864 [0,1,0,0,0,1|1,0,1]=4 3733 B9R0.7 C[C@H](N)CN[C@H](C)C(=O)O Amb27445282 [0,1,0,0,0,1|1,0,1]=4 3734 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb25133540 [0,1,0,0,0,1|1,0,0]=3 3735 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb33803333 [0,1,0,0,0,1|1,0,0]=3 3736 B9R0.7 C[C@H](NCC(=O)O)C(N)=O Amb27771293 [0,1,0,0,0,1|1,0,0]=3 3737 B9R0.7 C[C@H](O)[C@H](N)CCC(=O)O Amb27217393 [0,1,0,0,0,1|0,0,2]=4 3738 B9R0.7 C[S+](C)CCC(N)C(=O)O Amb4006595 [0,1,0,0,0,1|2,0,0]=4 3739 B9R0.7 C[S+](C)CCC(N)C(=O)O Amb4006626 [0,1,0,0,0,1|2,0,0]=4 3740 B9R0.7 C[S+](C)CCC(N)C(=O)O Amb4007490 [0,1,0,0,0,1|2,0,0]=4 3741 B9R0.7 C[S+](C)CCC(O)C(=O)O Amb33482959 [0,1,0,0,0,1|2,0,0]=4 3742 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O Amb35781977 [0,1,0,0,0,1|2,0,0]=4 3743 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O Amb6336613 [0,1,0,0,0,1|2,0,0]=4 3744 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O Amb10601599 [0,1,0,0,0,1|2,0,0]=4 3745 B9R0.7 C[SH](C)CC[C@H](N)C(=O)O Amb24440849 [0,1,0,0,0,1|2,0,0]=4 3746 B9R0.7 C\C(=C/CC(=O)O)C(=O)O Amb27214024 [0,1,0,0,0,1|1,0,1]=4 3747 B9R0.7 C\C(=C\CC(=O)O)C(=O)O Amb25960751 [0,1,0,0,0,1|1,0,1]=4 3748 B9R0.7 C\C(=N/CC(=O)O)C(=O)O Amb27759453 [0,1,0,0,0,1|1,0,1]=4 3749 B9R0.7 C\C(Cl)=C/CC(Cl)C(=O)O Amb27212547 [0,1,0,0,0,1|1,0,0]=3 3750 B9R0.7 C\C(Cl)=C\CC(Cl)C(=O)O Amb17594711 [0,1,0,0,0,1|1,0,0]=3 3751 B9R0.7 C\C(F)=C/C[C@H](N)C(=O)O Amb27205690 [0,1,0,0,0,1|1,0,0]=3 3752 B9R0.7 N=C(N)CCC(N)C(=O)O Amb28185146 [0,1,0,0,0,1|2,0,0]=4 3753 B9R0.7 N=C(N)NCC(N)C(=O)O Amb22169574 [0,1,0,0,0,1|2,0,0]=4 3754 B9R0.7 N=C(N)NCC(N)C(=O)O Amb9871390 [0,1,0,0,0,1|2,0,0]=4 3755 B9R0.7 N=C(N)NCC(O)C(=O)O Amb27229727 [0,1,0,0,0,1|2,0,0]=4 3756 B9R0.7 N=C(N)NC[C@@H](N)C(=O)O Amb28058768 [0,1,0,0,0,1|2,0,0]=4 3757 B9R0.7 N=C(N)NC[C@@H](N)C(=O)O Amb31292962 [0,1,0,0,0,1|2,0,0]=4 3758 B9R0.7 N=C(N)NC[C@H](N)C(=O)O Amb27230623 [0,1,0,0,0,1|2,0,0]=4 3759 B9R0.7 NC(=O)C(=O)NCC(=O)O Amb28050058 [0,1,0,0,0,1|1,0,1]=4 3760 B9R0.7 NC(=O)C(N)CCC(=O)O Amb18644256 [0,1,0,0,0,1|1,0,0]=3 3761 B9R0.7 NC(=O)CCC(=O)C(=O)O Amb26369364 [0,1,0,0,0,1|1,0,0]=3 3762 B9R0.7 NC(=O)CCC(Br)C(=O)O Amb27828829 [0,1,0,0,0,1|1,0,0]=3 3763 B9R0.7 NC(=O)CCC(N)C(=O)Cl Amb27793490 [0,1,0,0,0,1|2,0,0]=4 3764 B9R0.7 NC(=O)CCC(N)C(=O)O Amb9702792 [0,1,0,0,0,1|1,0,0]=3 3765 B9R0.7 NC(=O)CCC(N)C(N)=O Amb27175153 [0,1,0,0,0,1|2,0,0]=4 3766 B9R0.7 NC(=O)CCC(O)C(N)=O Amb28289307 [0,1,0,0,0,1|2,0,0]=4 3767 B9R0.7 NC(=O)CC[C@@H](Br)C(=O)O Amb28049993 [0,1,0,0,0,1|1,0,0]=3 3768 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Amb2688618 [0,1,0,0,0,1|1,0,0]=3 3769 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb22748708 [0,1,0,0,0,1|2,0,0]=4 3770 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb25996678 [0,1,0,0,0,1|2,0,0]=4 3771 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Amb6600045 [0,1,0,0,0,1|1,0,0]=3 3772 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb24426852 [0,1,0,0,0,1|2,0,0]=4 3773 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb33774694 [0,1,0,0,0,1|2,0,0]=4 3774 B9R0.7 NC(=O)CNC(=O)C(=O)O Amb9303805 [0,1,0,0,0,1|1,0,1]=4 3775 B9R0.7 NC(=O)NCC(F)C(=O)O Amb17610485 [0,1,0,0,0,1|1,0,0]=3 3776 B9R0.7 NC(=O)NCC(N)C(=O)O Amb4037018 [0,1,0,0,0,1|1,0,0]=3 3777 B9R0.7 NC(=O)NCC(N)C(N)=O Amb27646620 [0,1,0,0,0,1|2,0,0]=4 3778 B9R0.7 NC(=O)NCC(O)C(=O)O Amb27464106 [0,1,0,0,0,1|1,0,0]=3 3779 B9R0.7 NC(=O)NCC(O)C(N)=O Amb28384014 [0,1,0,0,0,1|2,0,0]=4 3780 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O Amb10068479 [0,1,0,0,0,1|1,0,0]=3 3781 B9R0.7 NC(=O)NC[C@H](N)C(=O)O Amb6298794 [0,1,0,0,0,1|1,0,0]=3 3782 B9R0.7 NC(=O)OCC(N)C(=O)O Amb26968173 [0,1,0,0,0,1|1,0,0]=3 3783 B9R0.7 NC(=O)OC[C@H](N)C(=O)O Amb28126945 [0,1,0,0,0,1|1,0,0]=3 3784 B9R0.7 NC(=O)SCC(N)C(=O)O Amb3993051 [0,1,0,0,0,1|1,0,0]=3 3785 B9R0.7 NC(=O)SC[C@@H](N)C(=O)O Amb10072293 [0,1,0,0,0,1|1,0,0]=3 3786 B9R0.7 NC(=O)SC[C@H](N)C(=O)O Amb22735296 [0,1,0,0,0,1|1,0,0]=3 3787 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O Amb22745051 [0,1,0,0,0,1|1,0,0]=3 3788 B9R0.7 NC(=O)[C@H](N)CCC(=O)O Amb24557281 [0,1,0,0,0,1|1,0,0]=3 3789 B9R0.7 NC(=S)CCC(N)C(=O)O Amb27448533 [0,1,0,0,0,1|1,1,0]=4 3790 B9R0.7 NC(=S)CC[C@H](N)C(=O)O Amb27640783 [0,1,0,0,0,1|1,1,0]=4 3791 B9R0.7 NC(CC=C(Cl)Cl)C(=O)O Amb28239821 [0,1,0,0,0,1|2,0,0]=4 3792 B9R0.7 NC(CCC(=O)Cl)C(=O)O Amb27816376 [0,1,0,0,0,1|1,0,0]=3 3793 B9R0.7 NC(CCC(=O)O)C(=O)O Amb8395158 [0,1,0,0,0,1|1,0,0]=3 3794 B9R0.7 NC(CCC(=O)O)C(=O)O Amb9703098 [0,1,0,0,0,1|1,0,0]=3 3795 B9R0.7 NC(CCC(=O)O)C(=O)[O-] Amb4014785 [0,1,0,0,0,1|1,0,0]=3 3796 B9R0.7 NC(CC[N+](=O)[O-])C(=O)O Amb27221965 [0,1,0,0,0,1|2,0,0]=4 3797 B9R0.7 NC(CN[N+](=O)[O-])C(=O)O Amb27857570 [0,1,0,0,0,1|2,0,0]=4 3798 B9R0.7 NC(CSC(=O)O)C(=O)O Amb27491502 [0,1,0,0,0,1|1,0,0]=3 3799 B9R0.7 N[C@@H](CC=C(Cl)Cl)C(=O)O Amb29866596 [0,1,0,0,0,1|2,0,0]=4 3800 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb34915082 [0,1,0,0,0,1|1,0,0]=3 3801 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb3940322 [0,1,0,0,0,1|1,0,0]=3 3802 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb8513626 [0,1,0,0,0,1|1,0,0]=3 3803 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] Amb22745619 [0,1,0,0,0,1|1,0,0]=3 3804 B9R0.7 N[C@@H](CCC(O)=S)C(=O)O Amb24480492 [0,1,0,0,0,1|1,0,1]=4 3805 B9R0.7 N[C@@H](CCS(=O)O)C(=O)O Amb25972325 [0,1,0,0,0,1|2,0,0]=4 3806 B9R0.7 N[C@@H](CC[PH](=O)O)C(=O)O Amb22904307 [0,1,0,0,0,1|2,0,0]=4 3807 B9R0.7 N[C@@H](CO[N+](=O)[O-])C(=O)O Amb27793180 [0,1,0,0,0,1|2,0,0]=4 3808 B9R0.7 N[C@@H](CSC(=O)O)C(=O)O Amb27666945 [0,1,0,0,0,1|1,0,0]=3 3809 B9R0.7 N[C@H](CC=C(Cl)Cl)C(=O)O Amb29866643 [0,1,0,0,0,1|2,0,0]=4 3810 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Amb2720565 [0,1,0,0,0,1|1,0,0]=3 3811 B9R0.7 O=C(Cl)SCC(=O)C(=O)O Amb33070040 [0,1,0,0,0,1|1,0,1]=4 3812 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb1154117 [0,1,0,0,0,1|1,0,0]=3 3813 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb16232496 [0,1,0,0,0,1|1,0,0]=3 3814 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb22746233 [0,1,0,0,0,1|1,0,0]=3 3815 B9R0.7 O=C(O)CCC(Br)C(=O)O Amb26568399 [0,1,0,0,0,1|1,0,0]=3 3816 B9R0.7 O=C(O)CCC(Cl)=C(Cl)Cl Amb27621905 [0,1,0,0,0,1|2,0,0]=4 3817 B9R0.7 O=C(O)CCC(Cl)C(=O)O Amb17594149 [0,1,0,0,0,1|1,0,0]=3 3818 B9R0.7 O=C(O)CCC(O)C(=O)O Amb18124864 [0,1,0,0,0,1|1,0,0]=3 3819 B9R0.7 O=C(O)CCC(S)C(=O)O Amb27983646 [0,1,0,0,0,1|1,0,0]=3 3820 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O Amb22799690 [0,1,0,0,0,1|1,0,0]=3 3821 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O Amb26885416 [0,1,0,0,0,1|1,0,0]=3 3822 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O Amb26590823 [0,1,0,0,0,1|1,0,0]=3 3823 B9R0.7 O=C(O)CC[C@H](O)C(=O)O Amb25948742 [0,1,0,0,0,1|1,0,0]=3 3824 B9R0.7 O=C(O)CNC(=O)C(=O)O Amb2447304 [0,1,0,0,0,1|1,0,1]=4 3825 B9R0.7 O=C(O)COC(=O)C(=O)O Amb28050116 [0,1,0,0,0,1|1,0,1]=4 3826 B9R0.7 O=C(O)C\C=C(/Cl)C(=O)O Amb27863082 [0,1,0,0,0,1|1,0,1]=4 3827 B9R0.7 O=C(O)[C@H](O)CO[PH](=O)O Amb27955235 [0,1,0,0,0,1|2,0,0]=4 3828 B9R0.7 O=C([O-])CCC(=O)C(=O)O Amb22231405 [0,1,0,0,0,1|1,0,0]=3 3829 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] Amb10072211 [0,1,0,0,0,1|1,0,1]=4 3830 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Amb17615399 [0,1,0,0,0,1|1,0,1]=4 3831 B9R0.53 C=C(C)CC(C)CC(C)=O Amb28206391 [0,1,0,0,0,1|2,0,0]=4 3832 B9R0.53 C=C(C)CC(N)CC(=O)O Amb32687894 [0,1,0,0,0,1|1,0,0]=3 3833 B9R0.53 C=C(CC(=O)O)CC(C)C Amb18643897 [0,1,0,0,0,1|1,0,1]=4 3834 B9R0.53 CC(=O)CC(=O)CC(C)=O Amb4018226 [0,1,0,0,0,1|1,0,0]=3 3835 B9R0.53 CC(=O)CC(=O)NC(C)=O Amb2410281 [0,1,0,0,0,1|1,0,1]=4 3836 B9R0.53 CC(=O)CC(=O)NC(N)=O Amb17593618 [0,1,0,0,0,1|1,0,1]=4 3837 B9R0.53 CC(=O)CC(=O)OC(C)=O Amb28460740 [0,1,0,0,0,1|1,0,1]=4 3838 B9R0.53 CC(=O)CC(C)OC(N)=O Amb27196213 [0,1,0,0,0,1|1,0,0]=3 3839 B9R0.53 CC(=O)CC(O)CC(C)O Amb28202187 [0,1,0,0,0,1|1,0,1]=4 3840 B9R0.53 CC(=O)C[C@@H](C)CC(=O)O Amb27881969 [0,1,0,0,0,1|0,0,0]=2 3841 B9R0.53 CC(=O)C[C@H](C)OC(C)=O Amb25863249 [0,1,0,0,0,1|1,0,0]=3 3842 B9R0.53 CC(=O)C[C@H](O)C[C@@H](C)O Amb27973069 [0,1,0,0,0,1|1,0,1]=4 3843 B9R0.53 CC(=O)C\C(C)=N\C(N)=O Amb27802503 [0,1,0,0,0,1|1,0,1]=4 3844 B9R0.53 CC(=O)NC(=O)CC(=O)O Amb24671240 [0,1,0,0,0,1|0,0,1]=3 3845 B9R0.53 CC(=O)NC(C)CC(=O)O Amb9007551 [0,1,0,0,0,1|0,0,0]=2 3846 B9R0.53 CC(=O)NC(C)CC(N)=O Amb27454423 [0,1,0,0,0,1|1,0,0]=3 3847 B9R0.53 CC(=O)NC(C)CC(N)=S Amb18800429 [0,1,0,0,0,1|1,1,0]=4 3848 B9R0.53 CC(=O)NC(C)CS(C)=O Amb27243706 [0,1,0,0,0,1|2,0,0]=4 3849 B9R0.53 CC(=O)NC(C)NC(C)=O Amb4035096 [0,1,0,0,0,1|2,0,0]=4 3850 B9R0.53 CC(=O)NN(C)CC(=O)O Amb24430379 [0,1,0,0,0,1|1,0,0]=3 3851 B9R0.53 CC(=O)N[C@@H](C)CC(=O)O Amb2372568 [0,1,0,0,0,1|0,0,0]=2 3852 B9R0.53 CC(=O)OC(C)C[N+](=O)[O-] Amb28050522 [0,1,0,0,0,1|1,0,1]=4 3853 B9R0.53 CC(=O)OC(C)OC(C)=O Amb8516628 [0,1,0,0,0,1|2,0,0]=4 3854 B9R0.53 CC(=O)O[C@@H](C)CC(=O)O Amb28340506 [0,1,0,0,0,1|0,0,0]=2 3855 B9R0.53 CC(=O)SC(C)CC(=O)O Amb4014288 [0,1,0,0,0,1|0,0,0]=2 3856 B9R0.53 CC(=O)[CH-]C(=O)CC(C)=O Amb28182517 [0,1,0,0,0,1|1,0,1]=4 3857 B9R0.53 CC(=O)\C=C(/C)CC(C)=O Amb24647875 [0,1,0,0,0,1|1,0,1]=4 3858 B9R0.53 CC(=O)\C=C(/O)CC(C)=O Amb27945526 [0,1,0,0,0,1|1,0,1]=4 3859 B9R0.53 CC(=O)\C=C(\C)CC(C)=O Amb25719264 [0,1,0,0,0,1|1,0,1]=4 3860 B9R0.53 CC(C)=CC(N)CC(N)=O Amb25805588 [0,1,0,0,0,1|2,0,0]=4 3861 B9R0.53 CC(C)CC(C)CC(=O)O Amb6749218 [0,1,0,0,0,1|1,0,1]=4 3862 B9R0.53 CC(C)CC(N)CC(=O)O Amb2438867 [0,1,0,0,0,1|1,0,1]=4 3863 B9R0.53 CC(C)CC(O)CC(=O)O Amb17232005 [0,1,0,0,0,1|1,0,1]=4 3864 B9R0.53 CC(C)CN(C)CC(=O)O Amb8900040 [0,1,0,0,0,1|1,0,1]=4 3865 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Amb8631385 [0,1,0,0,0,1|1,0,1]=4 3866 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Amb8631386 [0,1,0,0,0,1|1,0,1]=4 3867 B9R0.53 CC(C)C[C@@H](O)CC(=O)O Amb28050162 [0,1,0,0,0,1|1,0,1]=4 3868 B9R0.53 CC(C)C[C@H](N)CC(=O)O Amb16184017 [0,1,0,0,0,1|1,0,1]=4 3869 B9R0.53 CC(C)C[C@H](N)CC(=O)O Amb19944305 [0,1,0,0,0,1|1,0,1]=4 3870 B9R0.53 CC(C)C[C@H](O)CC(=O)O Amb24505145 [0,1,0,0,0,1|1,0,1]=4 3871 B9R0.53 CC(C)NC(C)CC(=O)O Amb9398367 [0,1,0,0,0,1|1,0,1]=4 3872 B9R0.53 CC(CC(=O)Cl)CC(=O)Cl Amb28076995 [0,1,0,0,0,1|2,0,0]=4 3873 B9R0.53 CC(CC(=O)O)CC(=O)O Amb2782854 [0,1,0,0,0,1|1,0,0]=3 3874 B9R0.53 CC(CC(=O)O)CN(C)C Amb27948144 [0,1,0,0,0,1|2,0,0]=4 3875 B9R0.53 CC(CC(=O)O)CN(C)C Amb32680754 [0,1,0,0,0,1|2,0,0]=4 3876 B9R0.53 CC(CC(=O)O)NC(=N)N Amb25696242 [0,1,0,0,0,1|2,0,0]=4 3877 B9R0.53 CC(CC(=O)O)NC(N)=O Amb9018480 [0,1,0,0,0,1|1,0,0]=3 3878 B9R0.53 CC(CC(=O)O)NN(C)C Amb28317947 [0,1,0,0,0,1|2,0,0]=4 3879 B9R0.53 CC(CC(N)=O)CC(N)=O Amb4020693 [0,1,0,0,0,1|2,0,0]=4 3880 B9R0.53 CC(CS(C)=O)NC(=O)Cl Amb35633551 [0,1,0,0,0,1|2,0,0]=4 3881 B9R0.53 CC(Cl)CC(Cl)CC(=O)O Amb28436914 [0,1,0,0,0,1|1,0,1]=4 3882 B9R0.53 CN(C)CC(O)CC(=O)O Amb4477325 [0,1,0,0,0,1|2,0,0]=4 3883 B9R0.53 CN(C)C[C@H](O)CC(=O)O Amb10069803 [0,1,0,0,0,1|2,0,0]=4 3884 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [0,1,0,0,0,1|1,0,0]=3 3885 B9R0.53 CN(CC(N)=O)CC(N)=O Amb27395331 [0,1,0,0,0,1|2,0,0]=4 3886 B9R0.53 CS(=O)C[C@H](N)CC(=O)O Amb27776743 [0,1,0,0,0,1|1,0,0]=3 3887 B9R0.53 C[C@@H](CC(N)=O)CC(=O)O Amb27404517 [0,1,0,0,0,1|1,0,0]=3 3888 B9R0.53 C\C(=C/C(=O)O)CC(=O)O Amb24556420 [0,1,0,0,0,1|1,0,1]=4 3889 B9R0.53 C\C(=C\C(=O)O)CC(=O)O Amb26421861 [0,1,0,0,0,1|1,0,1]=4 3890 B9R0.53 NC(=O)CC(N)CC(=O)O Amb27837998 [0,1,0,0,0,1|1,0,0]=3 3891 B9R0.53 NC(=O)CC(O)CC(N)=O Amb27203532 [0,1,0,0,0,1|2,0,0]=4 3892 B9R0.53 NC(=O)C[C@@H](N)CC(=O)O Amb26023970 [0,1,0,0,0,1|1,0,0]=3 3893 B9R0.53 NC(=O)NC(=O)CC(=O)O Amb25887627 [0,1,0,0,0,1|1,0,1]=4 3894 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [0,1,0,0,0,1|1,0,0]=3 3895 B9R0.53 NC(CC(=O)O)CC(=O)O Amb6296966 [0,1,0,0,0,1|1,0,0]=3 3896 B9R0.53 NN(CC(=O)O)CC(=O)O Amb534841 [0,1,0,0,0,1|1,0,0]=3 3897 B9R0.53 O=C(Cl)CC(Cl)CC(=O)Cl Amb27390104 [0,1,0,0,0,1|2,0,0]=4 3898 B9R0.53 O=C(O)CC(=O)CC(=O)O Amb6298323 [0,1,0,0,0,1|1,0,0]=3 3899 B9R0.53 O=C(O)CC(Br)CC(=O)O Amb28049987 [0,1,0,0,0,1|1,0,0]=3 3900 B9R0.53 O=C(O)CC(O)CC(=O)O Amb17615401 [0,1,0,0,0,1|1,0,0]=3 3901 B9R0.53 O=C(O)CS(=O)CC(=O)O Amb6364793 [0,1,0,0,0,1|1,0,0]=3 3902 B9R0.53 O=C(O)\C=C(\Cl)CC(=O)O Amb2612119 [0,1,0,0,0,1|1,0,1]=4 3903 B9R0.53 [NH3+]N(CC(=O)O)CC(=O)O Amb23453377 [0,1,0,0,0,1|1,0,0]=3 3904 B9R0.56 CC(=O)CCCC(C)(C)O Amb17593627 [0,1,0,0,0,1|1,0,1]=4 3905 B9R0.56 CC(=O)CCCS(=O)(=O)Cl Amb33076751 [0,1,0,0,0,1|1,0,1]=4 3906 B9R0.56 CC(=O)CCCS(C)(=O)=O Amb18180080 [0,1,0,0,0,1|1,0,1]=4 3907 B9R0.56 CC(=O)CCNS(C)(=O)=O Amb17102926 [0,1,0,0,0,1|1,0,1]=4 3908 B9R0.56 CC(=O)NCCS(=O)(=O)O Amb26916542 [0,1,0,0,0,1|1,0,0]=3 3909 B9R0.56 CC(=O)NCCS(=O)(=O)[O-] Amb31031083 [0,1,0,0,0,1|1,0,1]=4 3910 B9R0.56 CC(=O)NCCS(C)(=O)=O Amb16971455 [0,1,0,0,0,1|1,0,1]=4 3911 B9R0.56 CC(=O)NCCS(N)(=O)=O Amb33536942 [0,1,0,0,0,1|1,0,1]=4 3912 B9R0.56 CC(=O)OCCC(C)(C)O Amb28454807 [0,1,0,0,0,1|1,0,1]=4 3913 B9R0.56 CC(=O)OCCS(=O)(=O)Cl Amb18062586 [0,1,0,0,0,1|1,0,1]=4 3914 B9R0.56 CC(=O)OCCS(=O)(=O)F Amb32718400 [0,1,0,0,0,1|1,0,1]=4 3915 B9R0.56 CC(=O)OCCS(C)(=O)=O Amb28289177 [0,1,0,0,0,1|1,0,1]=4 3916 B9R0.56 CC(=O)SCCS(=O)(=O)Cl Amb27398626 [0,1,0,0,0,1|1,0,1]=4 3917 B9R0.56 CC(=O)SCCS(=O)(=O)O Amb21857874 [0,1,0,0,0,1|1,0,0]=3 3918 B9R0.56 CC(C)(C)CCCC(=O)O Amb18307485 [0,1,0,0,0,1|1,0,1]=4 3919 B9R0.56 CC(C)(C)CNCC(=O)O Amb19012829 [0,1,0,0,0,1|1,0,1]=4 3920 B9R0.56 CC(C)(C)CNCC(=O)O Amb28555432 [0,1,0,0,0,1|1,0,1]=4 3921 B9R0.56 CC(C)(C)COCC(=O)O Amb25079059 [0,1,0,0,0,1|1,0,1]=4 3922 B9R0.56 CC(C)(C)CSCC(=O)O Amb28050005 [0,1,0,0,0,1|1,0,1]=4 3923 B9R0.56 CC(C)(C)NCCC(=O)O Amb1106324 [0,1,0,0,0,1|1,0,1]=4 3924 B9R0.56 CC(C)(C)NCCC(=O)O Amb528113 [0,1,0,0,0,1|1,0,1]=4 3925 B9R0.56 CC(C)(C)OCCC(=O)O Amb2691288 [0,1,0,0,0,1|1,0,1]=4 3926 B9R0.56 CC(C)(C)SCCC(=O)O Amb6680208 [0,1,0,0,0,1|1,0,1]=4 3927 B9R0.56 CC(C)(F)CCCC(=O)O Amb25270576 [0,1,0,0,0,1|1,0,1]=4 3928 B9R0.56 CC(C)(N)COCC(=O)O Amb18630788 [0,1,0,0,0,1|1,0,1]=4 3929 B9R0.56 CC(C)(O)CCCC(=O)O Amb24340189 [0,1,0,0,0,1|0,0,2]=4 3930 B9R0.56 CC(C)(O)CSCC(=O)O Amb18307056 [0,1,0,0,0,1|0,0,2]=4 3931 B9R0.56 CC(F)(F)CCCC(=O)O Amb17593778 [0,1,0,0,0,1|1,0,1]=4 3932 B9R0.56 CP(=O)(O)CCCC(=O)O Amb24524573 [0,1,0,0,0,1|1,0,0]=3 3933 B9R0.56 CP(C)(=O)CNCC(=O)O Amb25339632 [0,1,0,0,0,1|1,0,0]=3 3934 B9R0.56 CS(=O)(=O)CCCC(=O)Cl Amb27865991 [0,1,0,0,0,1|2,0,0]=4 3935 B9R0.56 CS(=O)(=O)CCCC(=O)O Amb17503668 [0,1,0,0,0,1|1,0,0]=3 3936 B9R0.56 CS(=O)(=O)CCNC(=O)Cl Amb35625803 [0,1,0,0,0,1|2,0,0]=4 3937 B9R0.56 CS(=O)(=O)C\C=C\C(=O)O Amb33481784 [0,1,0,0,0,1|1,0,1]=4 3938 B9R0.56 CS(=O)(=O)NCCC(=O)Cl Amb5742641 [0,1,0,0,0,1|2,0,0]=4 3939 B9R0.56 CS(=O)(=O)NCCC(=O)O Amb33536611 [0,1,0,0,0,1|1,0,0]=3 3940 B9R0.56 CS(=O)(=O)NCCC(N)=O Amb17232584 [0,1,0,0,0,1|2,0,0]=4 3941 B9R0.56 CS(=O)(=O)SCCC(=O)O Amb10071647 [0,1,0,0,0,1|1,0,0]=3 3942 B9R0.56 C[N+](C)(C)CCCC(=O)O Amb9825976 [0,1,0,0,0,1|2,0,0]=4 3943 B9R0.56 C[Si](C)(C)CCCC(=O)O Amb26455818 [0,1,0,0,0,1|1,1,0]=4 3944 B9R0.56 NC(=O)CCOS(=O)(=O)O Amb27879199 [0,1,0,0,0,1|2,0,0]=4 3945 B9R0.56 NC(=O)CNCP(=O)(O)O Amb27606177 [0,1,0,0,0,1|2,0,0]=4 3946 B9R0.56 NC(=O)NCCS(=O)(=O)O Amb24710318 [0,1,0,0,0,1|2,0,0]=4 3947 B9R0.56 NP(=O)(O)CNCC(=O)O Amb27233408 [0,1,0,0,0,1|2,0,0]=4 3948 B9R0.56 NS(=O)(=O)CCCC(=O)O Amb6741827 [0,1,0,0,0,1|2,0,0]=4 3949 B9R0.56 NS(=O)(=O)NCCC(=O)O Amb6263261 [0,1,0,0,0,1|2,0,0]=4 3950 B9R0.56 O=C(O)CCCS(=O)(=O)Cl Amb28196571 [0,1,0,0,0,1|2,0,0]=4 3951 B9R0.56 O=C(O)CCCS(=O)(=O)O Amb27471573 [0,1,0,0,0,1|2,0,0]=4 3952 B9R0.56 O=C(O)CNCP(=O)(O)O Amb3941678 [0,1,0,0,0,1|2,0,0]=4 3953 B9R0.56 O=C(O)CNCP(=O)([O-])O Amb28995134 [0,1,0,0,0,1|2,0,0]=4 3954 B9R0.56 O=C([O-])CNCP(=O)(O)O Amb22731628 [0,1,0,0,0,1|2,0,0]=4 3955 B9R0.21 C=CC(=O)CCS(=O)(=O)O Amb28049856 [0,2,0,0,0,0|1,0,1]=4 3956 B9R0.21 C=CC(=O)CCS(C)(=O)=O Amb33053786 [0,2,0,0,0,0|2,0,0]=4 3957 B9R0.21 CC(C=O)CCP(=O)(O)O Amb27261915 [0,2,0,0,0,0|1,0,1]=4 3958 B9R0.21 CCC(=O)CCC(C)(C)O Amb28321026 [0,2,0,0,0,0|1,0,1]=4 3959 B9R0.21 CCC(=O)NCP(=O)(O)O Amb28341012 [0,2,0,0,0,0|2,0,0]=4 3960 B9R0.21 CNC(=O)CCC(C)(C)O Amb27456261 [0,2,0,0,0,0|1,0,1]=4 3961 B9R0.21 COC(=O)CCC(C)(C)N Amb19415866 [0,2,0,0,0,0|1,0,1]=4 3962 B9R0.21 COC(=O)CCC(C)(C)N Amb24383846 [0,2,0,0,0,0|1,0,1]=4 3963 B9R0.21 COC(=O)CCC(C)(F)F Amb26639214 [0,2,0,0,0,0|1,0,1]=4 3964 B9R0.21 COC(=O)CCP(=O)(O)O Amb22388887 [0,2,0,0,0,0|1,0,0]=3 3965 B9R0.21 COC(=O)CCS(=O)(=O)Cl Amb443859 [0,2,0,0,0,0|1,0,1]=4 3966 B9R0.21 COC(=O)CCS(=O)(=O)F Amb25830336 [0,2,0,0,0,0|1,0,1]=4 3967 B9R0.21 COC(=O)CCS(=O)(=O)O Amb17400246 [0,2,0,0,0,0|1,0,0]=3 3968 B9R0.21 COC(=O)CCS(=O)(=O)[O-] Amb28325565 [0,2,0,0,0,0|1,0,1]=4 3969 B9R0.21 COC(=O)CCS(C)(=N)=O Amb33621261 [0,2,0,0,0,0|1,0,0]=3 3970 B9R0.21 COC(=O)CCS(C)(=N)=O Amb33749083 [0,2,0,0,0,0|1,0,0]=3 3971 B9R0.21 COC(=O)CCS(C)(=O)=O Amb18177820 [0,2,0,0,0,0|1,0,0]=3 3972 B9R0.21 COC(=O)CCS(N)(=O)=O Amb1131761 [0,2,0,0,0,0|1,0,1]=4 3973 B9R0.21 COC(=O)CC[S@](C)(=N)=O Amb33744014 [0,2,0,0,0,0|1,0,0]=3 3974 B9R0.21 COC(=O)CC[Si](C)(C)C Amb25681301 [0,2,0,0,0,0|1,1,0]=4 3975 B9R0.21 COC(=O)CC[Si](C)(Cl)Cl Amb19893679 [0,2,0,0,0,0|1,1,0]=4 3976 B9R0.21 COC(=O)COS(C)(=O)=O Amb27633552 [0,2,0,0,0,0|2,0,0]=4 3977 B9R0.21 COC(=O)NCP(=O)(O)O Amb27202848 [0,2,0,0,0,0|2,0,0]=4 3978 B9R0.21 CS(=O)(=O)CCC(=O)CCl Amb33053952 [0,2,0,0,0,0|1,0,1]=4 3979 B9R0.21 CS(=O)(=O)CCC(=O)CN Amb27391397 [0,2,0,0,0,0|1,0,1]=4 3980 B9R0.21 CS(=O)(=O)CCC(=O)NO Amb28049751 [0,2,0,0,0,0|1,0,0]=3 3981 B9R0.21 CS(=O)(=O)CC\C(N)=N\O Amb18792762 [0,2,0,0,0,0|2,0,0]=4 3982 B9R0.21 O=C(CCl)NCP(=O)(O)O Amb27823588 [0,2,0,0,0,0|2,0,0]=4 3983 B9R0.21 O=C(CO)CCP(=O)(O)O Amb27945519 [0,2,0,0,0,0|1,0,0]=3 3984 B9R0.21 O=C(CO)CO[PH](=O)(=O)O Amb28190298 [0,2,0,0,0,0|2,0,0]=4 3985 B9R0.21 O=C(CO)CSP(=O)(O)O Amb28050764 [0,2,0,0,0,0|2,0,0]=4 3986 B9R0.21 O=C(CO)CS[PH](=O)(=O)O Amb27594796 [0,2,0,0,0,0|2,0,0]=4 3987 B9R0.23 C=C(Br)C[C@@H](N)C(=O)OC Amb27248287 [0,2,0,0,0,0|1,0,1]=4 3988 B9R0.23 C=C(C)CC(C)C(=O)NC Amb28315941 [0,2,0,0,0,0|2,0,0]=4 3989 B9R0.23 C=C(C)CC(C)C(=O)OC Amb27857780 [0,2,0,0,0,0|1,0,0]=3 3990 B9R0.23 C=C(C)CC(Cl)C(=O)OC Amb28051409 [0,2,0,0,0,0|1,0,0]=3 3991 B9R0.23 C=C(C)CC(N)C(=O)OC Amb26654974 [0,2,0,0,0,0|1,0,0]=3 3992 B9R0.23 C=C(C)CC(O)C(=O)OC Amb24464009 [0,2,0,0,0,0|1,0,0]=3 3993 B9R0.23 C=C(C)C[C@@H](O)C(=O)OC Amb27219810 [0,2,0,0,0,0|1,0,0]=3 3994 B9R0.23 C=C(CC(=O)O)C(=O)OC Amb4034427 [0,2,0,0,0,0|0,0,1]=3 3995 B9R0.23 C=C(CC)C(N)CC(=O)O Amb25068441 [0,2,0,0,0,0|1,0,0]=3 3996 B9R0.23 C=C(CC)C(N)CC(N)=O Amb28247069 [0,2,0,0,0,0|2,0,0]=4 3997 B9R0.23 C=C(Cl)CC(N)C(=O)OC Amb18645938 [0,2,0,0,0,0|1,0,1]=4 3998 B9R0.23 C=C(F)C[C@H](N)C(=O)NC Amb27215016 [0,2,0,0,0,0|2,0,0]=4 3999 B9R0.23 C=C(NC(C)=O)C(=O)OC Amb10807388 [0,2,0,0,0,0|1,0,1]=4 4000 B9R0.23 C=CC(=O)N(C)CC(=O)O Amb6267159 [0,2,0,0,0,0|1,0,1]=4 4001 B9R0.23 C=CC(=O)N(O)CC(=O)O Amb27175200 [0,2,0,0,0,0|1,0,1]=4 4002 B9R0.23 CC(=O)CC(C)C(C)C=O Amb28049891 [0,2,0,0,0,0|1,0,1]=4 4003 B9R0.23 CC(=O)C[C@@H](O)[C@@H](O)CO Amb25767917 [0,2,0,0,0,0|0,0,2]=4 4004 B9R0.23 CC(=O)NC(C)C(=O)NN Amb8998040 [0,2,0,0,0,0|2,0,0]=4 4005 B9R0.23 CC(=O)NC(C)\C(N)=N\O Amb28126933 [0,2,0,0,0,0|2,0,0]=4 4006 B9R0.23 CC(=O)OC(C)C(=O)C=O Amb27852090 [0,2,0,0,0,0|1,0,1]=4 4007 B9R0.23 CC(=O)OC(C)C(=O)NN Amb27769604 [0,2,0,0,0,0|2,0,0]=4 4008 B9R0.23 CC(=O)O[C@@H](C)[C@H](O)C=O Amb27194323 [0,2,0,0,0,0|1,0,1]=4 4009 B9R0.23 CC(C)CC(N)C(=O)NO Amb27264492 [0,2,0,0,0,0|1,0,1]=4 4010 B9R0.23 CC(C)C[C@H](N)C(=O)NO Amb24440728 [0,2,0,0,0,0|1,0,1]=4 4011 B9R0.23 CC(C=O)C(C)CC(=O)O Amb27838156 [0,2,0,0,0,0|0,0,1]=3 4012 B9R0.23 CC(CC(=O)O)C(N)CO Amb27843636 [0,2,0,0,0,0|1,0,1]=4 4013 B9R0.23 CCC(=O)C(C)NC(N)=O Amb28350530 [0,2,0,0,0,0|2,0,0]=4 4014 B9R0.23 CCC(=O)C(C)OC(C)=O Amb25909694 [0,2,0,0,0,0|2,0,0]=4 4015 B9R0.23 CCC(=O)N(C)CC(=O)O Amb1113094 [0,2,0,0,0,0|1,0,0]=3 4016 B9R0.23 CCC(=O)N(C)CC(C)=O Amb27448733 [0,2,0,0,0,0|2,0,0]=4 4017 B9R0.23 CCC(=O)N(C)CC(N)=O Amb17231983 [0,2,0,0,0,0|2,0,0]=4 4018 B9R0.23 CCC(=O)[C@H](C)NC(C)=O Amb27468250 [0,2,0,0,0,0|2,0,0]=4 4019 B9R0.23 CCC(C)C(C)CC(=O)O Amb18304200 [0,2,0,0,0,0|1,0,1]=4 4020 B9R0.23 CCC(C)C(N)CC(=O)O Amb2438880 [0,2,0,0,0,0|1,0,1]=4 4021 B9R0.23 CCC(C)C(O)CC(=O)O Amb18310690 [0,2,0,0,0,0|1,0,1]=4 4022 B9R0.23 CCC(C)[C@@H](N)CC(=O)O Amb28455466 [0,2,0,0,0,0|1,0,1]=4 4023 B9R0.23 CCC(C)[C@@H](O)CC(=O)O Amb33318493 [0,2,0,0,0,0|1,0,1]=4 4024 B9R0.23 CCC(C)[C@H](N)CC(=O)O Amb25117039 [0,2,0,0,0,0|1,0,1]=4 4025 B9R0.23 CCC(C)[C@H](O)CC(=O)O Amb33318492 [0,2,0,0,0,0|1,0,1]=4 4026 B9R0.23 CCN(C)C(C)CC(=O)O Amb22587145 [0,2,0,0,0,0|2,0,0]=4 4027 B9R0.23 CCN(C)C(C)CC(=O)O Amb9399322 [0,2,0,0,0,0|2,0,0]=4 4028 B9R0.23 CCS(=O)C(C)CC(=O)O Amb19012075 [0,2,0,0,0,0|1,0,0]=3 4029 B9R0.23 CC[C@@H](C)C(N)CC(=O)O Amb32687892 [0,2,0,0,0,0|1,0,1]=4 4030 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O Amb25689818 [0,2,0,0,0,0|1,0,1]=4 4031 B9R0.23 CC[C@H](C)C(N)CC(=O)O Amb32687890 [0,2,0,0,0,0|1,0,1]=4 4032 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O Amb16184016 [0,2,0,0,0,0|1,0,1]=4 4033 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Amb19944304 [0,2,0,0,0,0|1,0,1]=4 4034 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Amb25068405 [0,2,0,0,0,0|1,0,1]=4 4035 B9R0.23 CC[C@H](O)[C@@H](N)CC(=O)O Amb27469484 [0,2,0,0,0,0|0,0,2]=4 4036 B9R0.23 CC\C(C)=C(/C)CC(=O)O Amb28050046 [0,2,0,0,0,0|1,0,1]=4 4037 B9R0.23 CN(CC(=O)Cl)C(=O)CCl Amb28400001 [0,2,0,0,0,0|2,0,0]=4 4038 B9R0.23 CN(CC(=O)O)C(=O)CCl Amb21956220 [0,2,0,0,0,0|1,0,0]=3 4039 B9R0.23 CN(CC(=O)O)C(=O)CN Amb21929346 [0,2,0,0,0,0|1,0,0]=3 4040 B9R0.23 CN(CC(=O)O)C(=O)CO Amb25848387 [0,2,0,0,0,0|1,0,0]=3 4041 B9R0.23 CN(CC(=O)O)C(=O)CS Amb27406788 [0,2,0,0,0,0|1,0,0]=3 4042 B9R0.23 CN(CC(N)=O)C(=O)CCl Amb8957103 [0,2,0,0,0,0|2,0,0]=4 4043 B9R0.23 CN(CC(N)=O)C(=O)CS Amb27588532 [0,2,0,0,0,0|2,0,0]=4 4044 B9R0.23 CNC(=N)N(C)CC(=O)O Amb27465437 [0,2,0,0,0,0|2,0,0]=4 4045 B9R0.23 CNC(=O)C(C)CC(N)=O Amb17334220 [0,2,0,0,0,0|1,0,0]=3 4046 B9R0.23 CNC(=O)C(C)NC(N)=O Amb27806674 [0,2,0,0,0,0|2,0,0]=4 4047 B9R0.23 CNC(=O)C(C)OC(C)=O Amb27168697 [0,2,0,0,0,0|2,0,0]=4 4048 B9R0.23 CNC(=O)C(N)CC(=O)O Amb18862479 [0,2,0,0,0,0|0,0,0]=2 4049 B9R0.23 CNC(=O)C(N)CC(N)=O Amb18968977 [0,2,0,0,0,0|1,0,0]=3 4050 B9R0.23 CNC(=O)[C@@H](C)NC(N)=O Amb35660536 [0,2,0,0,0,0|2,0,0]=4 4051 B9R0.23 CNC(=O)[C@@H](C)OC(C)=O Amb27253659 [0,2,0,0,0,0|2,0,0]=4 4052 B9R0.23 CNC(=O)[C@H](C)NC(C)=O Amb22800074 [0,2,0,0,0,0|2,0,0]=4 4053 B9R0.23 CNC(=O)\C(C)=C\C(=O)O Amb27202767 [0,2,0,0,0,0|0,0,2]=4 4054 B9R0.23 COC(=O)C(=O)CC(C)=O Amb1155424 [0,2,0,0,0,0|0,0,1]=3 4055 B9R0.23 COC(=O)C(Br)CC(=O)O Amb18656999 [0,2,0,0,0,0|0,0,0]=2 4056 B9R0.23 COC(=O)C(Br)CC(C)C Amb22490955 [0,2,0,0,0,0|1,0,1]=4 4057 B9R0.23 COC(=O)C(C)CC(=O)O Amb18644248 [0,2,0,0,0,0|0,0,0]=2 4058 B9R0.23 COC(=O)C(C)CC(C)=O Amb27465860 [0,2,0,0,0,0|0,0,0]=2 4059 B9R0.23 COC(=O)C(C)CN(C)C Amb8428189 [0,2,0,0,0,0|2,0,0]=4 4060 B9R0.23 COC(=O)C(C)CS(=O)Cl Amb32720544 [0,2,0,0,0,0|2,0,0]=4 4061 B9R0.23 COC(=O)C(C)CS(=O)[O-] Amb32754342 [0,2,0,0,0,0|1,0,1]=4 4062 B9R0.23 COC(=O)C(C)CS(N)=O Amb32720545 [0,2,0,0,0,0|2,0,0]=4 4063 B9R0.23 COC(=O)C(C)C[PH](=O)O Amb27826336 [0,2,0,0,0,0|1,0,0]=3 4064 B9R0.23 COC(=O)C(C)NC(C)=O Amb24650565 [0,2,0,0,0,0|1,0,0]=3 4065 B9R0.23 COC(=O)C(C)NC(C)=S Amb27838032 [0,2,0,0,0,0|1,1,0]=4 4066 B9R0.23 COC(=O)C(C)NC(N)=O Amb20407420 [0,2,0,0,0,0|2,0,0]=4 4067 B9R0.23 COC(=O)C(C)NS(C)=O Amb27431923 [0,2,0,0,0,0|2,0,0]=4 4068 B9R0.23 COC(=O)C(Cl)CC(=O)O Amb27589899 [0,2,0,0,0,0|0,0,0]=2 4069 B9R0.23 COC(=O)C(Cl)CC(C)C Amb18800856 [0,2,0,0,0,0|1,0,1]=4 4070 B9R0.23 COC(=O)C(Cl)CS(=O)Cl Amb32720436 [0,2,0,0,0,0|2,0,0]=4 4071 B9R0.23 COC(=O)C(Cl)CS(=O)[O-] Amb32755396 [0,2,0,0,0,0|1,0,1]=4 4072 B9R0.23 COC(=O)C(Cl)CS(N)=O Amb32720437 [0,2,0,0,0,0|2,0,0]=4 4073 B9R0.23 COC(=O)C(Cl)NC(C)=O Amb28193243 [0,2,0,0,0,0|1,0,0]=3 4074 B9R0.23 COC(=O)C(F)CC(=O)O Amb27837974 [0,2,0,0,0,0|0,0,0]=2 4075 B9R0.23 COC(=O)C(N)CC(=O)O Amb18644309 [0,2,0,0,0,0|0,0,0]=2 4076 B9R0.23 COC(=O)C(N)CC(C)=O Amb25367296 [0,2,0,0,0,0|0,0,0]=2 4077 B9R0.23 COC(=O)C(N)CC(C)C Amb1152419 [0,2,0,0,0,0|1,0,1]=4 4078 B9R0.23 COC(=O)C(N)CC(C)C Amb22489476 [0,2,0,0,0,0|1,0,1]=4 4079 B9R0.23 COC(=O)C(N)CC(C)C Amb932819 [0,2,0,0,0,0|1,0,1]=4 4080 B9R0.23 COC(=O)C(N)CC(C)O Amb33065512 [0,2,0,0,0,0|0,0,2]=4 4081 B9R0.23 COC(=O)C(N)CC(N)=O Amb16243083 [0,2,0,0,0,0|1,0,0]=3 4082 B9R0.23 COC(=O)C(N)CC(N)=O Amb17601698 [0,2,0,0,0,0|1,0,0]=3 4083 B9R0.23 COC(=O)C(N)CN(C)C Amb24715537 [0,2,0,0,0,0|2,0,0]=4 4084 B9R0.23 COC(=O)C(N)CN(C)C Amb28555446 [0,2,0,0,0,0|2,0,0]=4 4085 B9R0.23 COC(=O)C(O)CC(=O)O Amb17615865 [0,2,0,0,0,0|0,0,0]=2 4086 B9R0.23 COC(=O)C(O)CC(C)C Amb19306745 [0,2,0,0,0,0|1,0,1]=4 4087 B9R0.23 COC(=O)C(O)CC(N)=O Amb27655536 [0,2,0,0,0,0|1,0,0]=3 4088 B9R0.23 COC(=O)N(C)CC(=O)O Amb6668732 [0,2,0,0,0,0|1,0,0]=3 4089 B9R0.23 COC(=O)[C@@H](Br)CC(C)C Amb27400688 [0,2,0,0,0,0|1,0,1]=4 4090 B9R0.23 COC(=O)[C@@H](Br)CC(N)=O Amb27789593 [0,2,0,0,0,0|1,0,0]=3 4091 B9R0.23 COC(=O)[C@@H](C)NC(C)=O Amb17621817 [0,2,0,0,0,0|1,0,0]=3 4092 B9R0.23 COC(=O)[C@@H](C)OC(C)=O Amb28314265 [0,2,0,0,0,0|1,0,0]=3 4093 B9R0.23 COC(=O)[C@@H](F)CC(=O)O Amb27406311 [0,2,0,0,0,0|0,0,0]=2 4094 B9R0.23 COC(=O)[C@@H](N)CC(=O)O Amb22746069 [0,2,0,0,0,0|0,0,0]=2 4095 B9R0.23 COC(=O)[C@@H](N)CC(=O)O Amb8390387 [0,2,0,0,0,0|0,0,0]=2 4096 B9R0.23 COC(=O)[C@@H](N)CC(=O)[O-] Amb22231950 [0,2,0,0,0,0|0,0,1]=3 4097 B9R0.23 COC(=O)[C@@H](N)CC(C)C Amb533935 [0,2,0,0,0,0|1,0,1]=4 4098 B9R0.23 COC(=O)[C@@H](N)CC(C)C Amb8513236 [0,2,0,0,0,0|1,0,1]=4 4099 B9R0.23 COC(=O)[C@@H](N)CC(N)=O Amb8390381 [0,2,0,0,0,0|1,0,0]=3 4100 B9R0.23 COC(=O)[C@@H](N)CN(C)C Amb31295179 [0,2,0,0,0,0|2,0,0]=4 4101 B9R0.23 COC(=O)[C@@H](O)CC(=O)O Amb17615867 [0,2,0,0,0,0|0,0,0]=2 4102 B9R0.23 COC(=O)[C@H](Br)CC(C)C Amb27796257 [0,2,0,0,0,0|1,0,1]=4 4103 B9R0.23 COC(=O)[C@H](C)CC(=O)Cl Amb28050543 [0,2,0,0,0,0|1,0,0]=3 4104 B9R0.23 COC(=O)[C@H](C)CC(=O)O Amb24561954 [0,2,0,0,0,0|0,0,0]=2 4105 B9R0.23 COC(=O)[C@H](C)NC(C)=O Amb4034849 [0,2,0,0,0,0|1,0,0]=3 4106 B9R0.23 COC(=O)[C@H](C)NC(C)=S Amb26907443 [0,2,0,0,0,0|1,1,0]=4 4107 B9R0.23 COC(=O)[C@H](C)NC(N)=O Amb27948545 [0,2,0,0,0,0|2,0,0]=4 4108 B9R0.23 COC(=O)[C@H](Cl)CC(=O)O Amb27232518 [0,2,0,0,0,0|0,0,0]=2 4109 B9R0.23 COC(=O)[C@H](N)CC(=O)O Amb19944281 [0,2,0,0,0,0|0,0,0]=2 4110 B9R0.23 COC(=O)[C@H](N)CC(C)C Amb2719741 [0,2,0,0,0,0|1,0,1]=4 4111 B9R0.23 COC(=O)[C@H](N)CC(C)C Amb3941143 [0,2,0,0,0,0|1,0,1]=4 4112 B9R0.23 COC(=O)[C@H](N)CC(N)=O Amb19883963 [0,2,0,0,0,0|1,0,0]=3 4113 B9R0.23 COC(=O)[C@H](N)CC(N)=O Amb27597987 [0,2,0,0,0,0|1,0,0]=3 4114 B9R0.23 COC(=O)[C@H](O)C=C(C)C Amb27432220 [0,2,0,0,0,0|1,0,1]=4 4115 B9R0.23 COC(=O)[C@H](O)CC(=O)O Amb17615866 [0,2,0,0,0,0|0,0,0]=2 4116 B9R0.23 COC(=O)[C@H](O)CC(C)C Amb26022448 [0,2,0,0,0,0|1,0,1]=4 4117 B9R0.23 COC(=O)[C@H](O)CC(N)=O Amb27623997 [0,2,0,0,0,0|1,0,0]=3 4118 B9R0.23 COC(=O)\C(Br)=C\C(=O)O Amb15695379 [0,2,0,0,0,0|0,0,2]=4 4119 B9R0.23 COC(=O)\C(C)=C\C(=O)O Amb27221493 [0,2,0,0,0,0|0,0,2]=4 4120 B9R0.23 COC(=O)\C(C)=C\C(C)=O Amb27164598 [0,2,0,0,0,0|0,0,2]=4 4121 B9R0.23 COC(=O)\C(F)=C\C(=O)O Amb28288995 [0,2,0,0,0,0|0,0,2]=4 4122 B9R0.23 COC(=O)\C(N)=C\C(C)=O Amb24411031 [0,2,0,0,0,0|0,0,2]=4 4123 B9R0.23 COC(=O)\C(O)=C\C(C)=O Amb1981446 [0,2,0,0,0,0|0,0,2]=4 4124 B9R0.23 COC(=O)\C([O-])=C\C(C)=O Amb29083217 [0,2,0,0,0,0|0,0,2]=4 4125 B9R0.23 COC(=S)N(C)CC(=O)O Amb24514158 [0,2,0,0,0,0|1,1,0]=4 4126 B9R0.23 COC(C)C(C)CC(=O)O Amb18202340 [0,2,0,0,0,0|0,0,2]=4 4127 B9R0.23 COC(C)C(N)CC(=O)O Amb26567214 [0,2,0,0,0,0|0,0,2]=4 4128 B9R0.23 CO[C@H](C)[C@H](N)CC(=O)O Amb35788177 [0,2,0,0,0,0|0,0,2]=4 4129 B9R0.23 CO[C@H](C)[C@H](N)CC(=O)O Amb35789671 [0,2,0,0,0,0|0,0,2]=4 4130 B9R0.23 CSC(=N)N(C)CC(=O)O Amb27834370 [0,2,0,0,0,0|2,0,0]=4 4131 B9R0.23 CSC(=S)N(C)CC(=O)O Amb26852199 [0,2,0,0,0,0|1,1,0]=4 4132 B9R0.23 C[C@@H](N)C[C@@H](O)C(=O)NO Amb27620269 [0,2,0,0,0,0|1,0,1]=4 4133 B9R0.23 C[C@H](C=O)[C@@H](C)CC(=O)O Amb27874077 [0,2,0,0,0,0|0,0,1]=3 4134 B9R0.23 C\C(=C/N)C(N)CC(=O)O Amb28075172 [0,2,0,0,0,0|1,0,0]=3 4135 B9R0.23 C\C(=C/N)C(N)CC(N)=O Amb28314171 [0,2,0,0,0,0|2,0,0]=4 4136 B9R0.23 C\C(=N/O)C(O)CC(=O)O Amb27223478 [0,2,0,0,0,0|0,0,1]=3 4137 B9R0.23 C\C=C(\C)C(N)CC(=O)O Amb28245387 [0,2,0,0,0,0|1,0,0]=3 4138 B9R0.23 NC(CC(=O)O)C(O)CF Amb28071644 [0,2,0,0,0,0|0,0,2]=4 4139 B9R0.23 NC(CO)C(N)CC(=O)O Amb27804493 [0,2,0,0,0,0|1,0,1]=4 4140 B9R0.23 NNC(=O)C(N)CC(=O)O Amb26438038 [0,2,0,0,0,0|1,0,0]=3 4141 B9R0.23 NNC(=O)C(N)CC(=O)O Amb35750707 [0,2,0,0,0,0|1,0,0]=3 4142 B9R0.23 NNC(=O)C(N)CC(N)=O Amb27265356 [0,2,0,0,0,0|2,0,0]=4 4143 B9R0.23 N[C@@H](CO)[C@H](N)CC(=O)O Amb27594534 [0,2,0,0,0,0|1,0,1]=4 4144 B9R0.23 N[C@H](CC(=O)O)C(=O)NO Amb27413035 [0,2,0,0,0,0|1,0,0]=3 4145 B9R0.23 O=C(O)CC(Br)C(=O)CBr Amb15772353 [0,2,0,0,0,0|0,0,0]=2 4146 B9R0.23 O=C(O)CC(S)C(=O)CS Amb27758589 [0,2,0,0,0,0|0,0,0]=2 4147 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO Amb24726353 [0,2,0,0,0,0|0,0,2]=4 4148 B9R0.24 C#CC(O)CCC(=O)OC Amb27851096 [0,2,0,0,0,0|1,0,1]=4 4149 B9R0.24 C#C[C@@H](O)CCC(=O)OC Amb28207270 [0,2,0,0,0,0|1,0,1]=4 4150 B9R0.24 C=C(C=O)CCC(=O)OC Amb27876497 [0,2,0,0,0,0|0,0,1]=3 4151 B9R0.24 C=C(CC)CCC(=O)CC Amb27760965 [0,2,0,0,0,0|2,0,0]=4 4152 B9R0.24 C=C(CO)COC(=O)OC Amb28050776 [0,2,0,0,0,0|2,0,0]=4 4153 B9R0.24 CCC(=O)CCC(=O)CC Amb8391992 [0,2,0,0,0,0|1,0,0]=3 4154 B9R0.24 CCC(=O)CCC(C)C=O Amb27424839 [0,2,0,0,0,0|1,0,1]=4 4155 B9R0.24 CCC(=O)CCC(O)CF Amb28437142 [0,2,0,0,0,0|1,0,1]=4 4156 B9R0.24 CCC(=O)CNC(=O)CCl Amb24725631 [0,2,0,0,0,0|2,0,0]=4 4157 B9R0.24 CCC(=O)CNC(=O)CO Amb27448700 [0,2,0,0,0,0|1,0,0]=3 4158 B9R0.24 CCC(=O)COC(=O)CC Amb27598340 [0,2,0,0,0,0|2,0,0]=4 4159 B9R0.24 CCC(=O)NCC(=O)NN Amb27982624 [0,2,0,0,0,0|2,0,0]=4 4160 B9R0.24 CCC(Br)CCC(=O)OC Amb28049989 [0,2,0,0,0,0|1,0,1]=4 4161 B9R0.24 CCC(C)CCC(=O)OC Amb25690993 [0,2,0,0,0,0|1,0,1]=4 4162 B9R0.24 CCC(Cl)CCC(=O)OC Amb28076681 [0,2,0,0,0,0|1,0,1]=4 4163 B9R0.24 CCC(N)CCC(=O)OC Amb26855249 [0,2,0,0,0,0|1,0,1]=4 4164 B9R0.24 CCC(N)CCC(=O)OC Amb33483211 [0,2,0,0,0,0|1,0,1]=4 4165 B9R0.24 CCC(O)CCC(=O)OC Amb25850223 [0,2,0,0,0,0|0,0,2]=4 4166 B9R0.24 CCN(C)CCC(=O)OC Amb8890963 [0,2,0,0,0,0|2,0,0]=4 4167 B9R0.24 CC[C@@H](O)CCC(=O)OC Amb24561650 [0,2,0,0,0,0|0,0,2]=4 4168 B9R0.24 CNC(=O)CCC(=O)NC Amb4017621 [0,2,0,0,0,0|1,0,0]=3 4169 B9R0.24 CNC(=O)CCC(=O)OC Amb17399893 [0,2,0,0,0,0|0,0,0]=2 4170 B9R0.24 CNC(=O)CCN(C)OC Amb27485562 [0,2,0,0,0,0|2,0,0]=4 4171 B9R0.24 CNC(=O)CNC(=O)CBr Amb27752218 [0,2,0,0,0,0|2,0,0]=4 4172 B9R0.24 CNC(=O)CNC(=O)CCl Amb475203 [0,2,0,0,0,0|2,0,0]=4 4173 B9R0.24 CNC(=O)CNC(=O)NC Amb28073324 [0,2,0,0,0,0|2,0,0]=4 4174 B9R0.24 CNC(=O)CNC(=O)NN Amb32410410 [0,2,0,0,0,0|2,0,0]=4 4175 B9R0.24 CNC(=O)COC(=O)CO Amb28315993 [0,2,0,0,0,0|1,0,0]=3 4176 B9R0.24 CNC(=O)CSC(=S)OC Amb27262104 [0,2,0,0,0,0|1,1,0]=4 4177 B9R0.24 CNC(=O)NC\C(N)=N\O Amb27399938 [0,2,0,0,0,0|2,0,0]=4 4178 B9R0.24 CNC(=O)SCC(=O)OC Amb27180433 [0,2,0,0,0,0|1,0,0]=3 4179 B9R0.24 CNC(=O)\N=C\C(=O)OC Amb27473353 [0,2,0,0,0,0|1,0,1]=4 4180 B9R0.24 COC(=O)C#CC(=O)OC Amb6891940 [0,2,0,0,0,0|0,0,2]=4 4181 B9R0.24 COC(=O)CCC(=N)NO Amb27148692 [0,2,0,0,0,0|1,0,0]=3 4182 B9R0.24 COC(=O)CCC(=O)CBr Amb33526898 [0,2,0,0,0,0|0,0,0]=2 4183 B9R0.24 COC(=O)CCC(=O)CCl Amb26649344 [0,2,0,0,0,0|0,0,0]=2 4184 B9R0.24 COC(=O)CCC(=O)CN Amb18202127 [0,2,0,0,0,0|0,0,0]=2 4185 B9R0.24 COC(=O)CCC(=O)CN Amb6366854 [0,2,0,0,0,0|0,0,0]=2 4186 B9R0.24 COC(=O)CCC(=O)NN Amb28046722 [0,2,0,0,0,0|1,0,0]=3 4187 B9R0.24 COC(=O)CCC(=O)NO Amb28454716 [0,2,0,0,0,0|0,0,0]=2 4188 B9R0.24 COC(=O)CCC(=O)OC Amb2793094 [0,2,0,0,0,0|0,0,0]=2 4189 B9R0.24 COC(=O)CCC(C)C=O Amb18644121 [0,2,0,0,0,0|0,0,1]=3 4190 B9R0.24 COC(=O)CCC(C)CN Amb26032831 [0,2,0,0,0,0|1,0,1]=4 4191 B9R0.24 COC(=O)CCC(C)CO Amb28319952 [0,2,0,0,0,0|0,0,2]=4 4192 B9R0.24 COC(=O)CCC(C)OC Amb26355788 [0,2,0,0,0,0|0,0,2]=4 4193 B9R0.24 COC(=O)CCC(Cl)C=O Amb27760397 [0,2,0,0,0,0|1,0,1]=4 4194 B9R0.24 COC(=O)CCC(N)CF Amb24517084 [0,2,0,0,0,0|1,0,1]=4 4195 B9R0.24 COC(=O)CCN(C)N=O Amb17618594 [0,2,0,0,0,0|1,0,0]=3 4196 B9R0.24 COC(=O)CCN(C)OC Amb27206937 [0,2,0,0,0,0|1,0,1]=4 4197 B9R0.24 COC(=O)CCS(=O)OC Amb22728623 [0,2,0,0,0,0|1,0,0]=3 4198 B9R0.24 COC(=O)CC[C@@H](C)CN Amb27468094 [0,2,0,0,0,0|1,0,1]=4 4199 B9R0.24 COC(=O)CC[C@@H](C)CO Amb28050698 [0,2,0,0,0,0|0,0,2]=4 4200 B9R0.24 COC(=O)CC[C@@H](O)C#N Amb27763450 [0,2,0,0,0,0|1,0,1]=4 4201 B9R0.24 COC(=O)CC[C@@H](O)CO Amb27761525 [0,2,0,0,0,0|0,0,2]=4 4202 B9R0.24 COC(=O)CC[C@H](N)CF Amb27628411 [0,2,0,0,0,0|1,0,1]=4 4203 B9R0.24 COC(=O)CC[C@H](O)C#N Amb28050749 [0,2,0,0,0,0|1,0,1]=4 4204 B9R0.24 COC(=O)CC[C@H](O)CBr Amb27635803 [0,2,0,0,0,0|0,0,2]=4 4205 B9R0.24 COC(=O)CC\C(C)=N\O Amb28064373 [0,2,0,0,0,0|0,0,1]=3 4206 B9R0.24 COC(=O)CNC(=O)C#N Amb27426721 [0,2,0,0,0,0|1,0,1]=4 4207 B9R0.24 COC(=O)CNC(=O)CBr Amb17329958 [0,2,0,0,0,0|1,0,0]=3 4208 B9R0.24 COC(=O)CNC(=O)CCl Amb367447 [0,2,0,0,0,0|1,0,0]=3 4209 B9R0.24 COC(=O)CNC(=O)CN Amb2701513 [0,2,0,0,0,0|1,0,0]=3 4210 B9R0.24 COC(=O)CNC(=O)CN Amb5783125 [0,2,0,0,0,0|1,0,0]=3 4211 B9R0.24 COC(=O)CNC(=O)CO Amb28410960 [0,2,0,0,0,0|1,0,0]=3 4212 B9R0.24 COC(=O)CNC(=O)NN Amb32789579 [0,2,0,0,0,0|2,0,0]=4 4213 B9R0.24 COC(=O)CNC(=O)OC Amb9265412 [0,2,0,0,0,0|1,0,0]=3 4214 B9R0.24 COC(=O)CNC(=O)SC Amb24620395 [0,2,0,0,0,0|1,0,0]=3 4215 B9R0.24 COC(=O)COC(=O)CO Amb28206230 [0,2,0,0,0,0|1,0,0]=3 4216 B9R0.24 COC(=O)CSC(=O)CCl Amb27407672 [0,2,0,0,0,0|1,0,0]=3 4217 B9R0.24 COC(=O)C\C=C(\C)CO Amb28050664 [0,2,0,0,0,0|0,0,2]=4 4218 B9R0.24 COC(=O)C\N=C(/C)OC Amb27632931 [0,2,0,0,0,0|1,0,1]=4 4219 B9R0.24 COC(=O)NCC(=O)CBr Amb28122949 [0,2,0,0,0,0|1,0,0]=3 4220 B9R0.24 COC(=O)NCC(=O)NN Amb27969172 [0,2,0,0,0,0|2,0,0]=4 4221 B9R0.24 COC(=O)NCC(=O)NO Amb27211651 [0,2,0,0,0,0|1,0,0]=3 4222 B9R0.24 COC(=O)NCN(C)N=O Amb27776473 [0,2,0,0,0,0|2,0,0]=4 4223 B9R0.24 COC(=O)N\C=C(/C)C=O Amb27837939 [0,2,0,0,0,0|1,0,1]=4 4224 B9R0.24 COC(=O)O\C=C(\C)C=O Amb27640699 [0,2,0,0,0,0|1,0,1]=4 4225 B9R0.24 COC(=O)\C=C/C(=O)OC Amb8514575 [0,2,0,0,0,0|0,0,2]=4 4226 B9R0.24 COC(=O)\C=C\C(=O)CBr Amb26539741 [0,2,0,0,0,0|0,0,2]=4 4227 B9R0.24 COC(=O)\C=C\C(=O)OC Amb1789270 [0,2,0,0,0,0|0,0,2]=4 4228 B9R0.24 COC(=O)\N=N\C(=O)OC Amb6296109 [0,2,0,0,0,0|2,0,0]=4 4229 B9R0.24 COC(C)CCC(=O)CN Amb27257316 [0,2,0,0,0,0|1,0,1]=4 4230 B9R0.24 C\C(CC\C(C)=N/O)=N\O Amb9795963 [0,2,0,0,0,0|1,0,1]=4 4231 B9R0.24 C\C(CC\C(C)=N\O)=N/O Amb27595551 [0,2,0,0,0,0|1,0,1]=4 4232 B9R0.24 C\C=C(/C)CNC(=O)OC Amb28346258 [0,2,0,0,0,0|2,0,0]=4 4233 B9R0.24 NCC(=O)CCC(=O)CCl Amb27767996 [0,2,0,0,0,0|1,0,0]=3 4234 B9R0.24 NCC(=O)NCC(=O)NN Amb28060025 [0,2,0,0,0,0|2,0,0]=4 4235 B9R0.24 NNC(=O)CCC(=O)NN Amb6335816 [0,2,0,0,0,0|2,0,0]=4 4236 B9R0.24 NOC(=O)CCC(=O)ON Amb22346144 [0,2,0,0,0,0|1,0,0]=3 4237 B9R0.24 O=CC(O)CNC(=O)CBr Amb27841938 [0,2,0,0,0,0|1,0,1]=4 4238 B9R0.42 C#CC(=O)N[C@@H](C)C(=O)O Amb28060769 [0,2,0,0,0,0|1,0,1]=4 4239 B9R0.42 C=C(C)C(=O)CC(=O)OC Amb26925268 [0,2,0,0,0,0|1,0,1]=4 4240 B9R0.42 C=C(C)C(C)OC(=O)CO Amb28282339 [0,2,0,0,0,0|2,0,0]=4 4241 B9R0.42 C=C(C)C(O)CC(=O)OC Amb27839501 [0,2,0,0,0,0|1,0,0]=3 4242 B9R0.42 C=C(C)[C@@H](O)CC(=O)CC Amb28126621 [0,2,0,0,0,0|2,0,0]=4 4243 B9R0.42 C=C(C)[C@@H](O)CC(=O)OC Amb33199529 [0,2,0,0,0,0|1,0,0]=3 4244 B9R0.42 C=C(C)[C@H](O)CC(=O)CC Amb27760878 [0,2,0,0,0,0|2,0,0]=4 4245 B9R0.42 C=C(C)[C@H](O)CC(=O)OC Amb33199525 [0,2,0,0,0,0|1,0,0]=3 4246 B9R0.42 C=C(CC(=O)NC)C(=O)O Amb22269311 [0,2,0,0,0,0|0,0,1]=3 4247 B9R0.42 C=C(CC(=O)OC)C(=O)O Amb4035034 [0,2,0,0,0,0|0,0,1]=3 4248 B9R0.42 C=C(CC)CC(N)C(=O)O Amb28064280 [0,2,0,0,0,0|1,0,0]=3 4249 B9R0.42 C=C(CC)CC(N)C(N)=O Amb24429018 [0,2,0,0,0,0|2,0,0]=4 4250 B9R0.42 C=C(CC)C[C@@H](N)C(=O)O Amb26340266 [0,2,0,0,0,0|1,0,0]=3 4251 B9R0.42 C=C(CC)C[C@H](N)C(=O)O Amb25694434 [0,2,0,0,0,0|1,0,0]=3 4252 B9R0.42 C=C(Cl)C(O)CC(=O)OC Amb28050635 [0,2,0,0,0,0|1,0,1]=4 4253 B9R0.42 C=C(NC(=O)CCl)C(=O)O Amb1951911 [0,2,0,0,0,0|1,0,1]=4 4254 B9R0.42 C=C(NC(=O)CN)C(=O)O Amb25845451 [0,2,0,0,0,0|1,0,1]=4 4255 B9R0.42 C=C(OC(=O)OC)C(C)=O Amb25951847 [0,2,0,0,0,0|1,0,1]=4 4256 B9R0.42 C=CC(=O)NC(O)C(=O)O Amb3940875 [0,2,0,0,0,0|1,0,1]=4 4257 B9R0.42 C=CC(=O)NC(O)C(=O)O Amb9790819 [0,2,0,0,0,0|1,0,1]=4 4258 B9R0.42 C=CC(=O)OC(C)C(=O)O Amb27592472 [0,2,0,0,0,0|1,0,1]=4 4259 B9R0.42 C=CC(=O)OC(C)C(C)=O Amb28126623 [0,2,0,0,0,0|2,0,0]=4 4260 B9R0.42 C=CC(C)C[C@H](C)C(=O)O Amb27788729 [0,2,0,0,0,0|1,0,1]=4 4261 B9R0.42 CC(=O)C(C)CC(O)CO Amb27616537 [0,2,0,0,0,0|0,0,2]=4 4262 B9R0.42 CC(=O)C(C)\C=C(/C)C=O Amb27753996 [0,2,0,0,0,0|1,0,1]=4 4263 B9R0.42 CC(=O)C(C)\C=C(\C)CO Amb27490625 [0,2,0,0,0,0|1,0,1]=4 4264 B9R0.42 CC(=O)C(O)CC(=O)C=O Amb27480852 [0,2,0,0,0,0|0,0,1]=3 4265 B9R0.42 CC(=O)C(O)CC(O)CO Amb28049878 [0,2,0,0,0,0|0,0,2]=4 4266 B9R0.42 CC(=O)N(C)CC(=O)NO Amb28291755 [0,2,0,0,0,0|1,0,0]=3 4267 B9R0.42 CC(C#N)CC(N)C(=O)O Amb25262927 [0,2,0,0,0,0|1,0,1]=4 4268 B9R0.42 CC(C#N)C[C@@H](N)C(=O)O Amb33127539 [0,2,0,0,0,0|1,0,1]=4 4269 B9R0.42 CC(C#N)C[C@H](N)C(=O)O Amb33036873 [0,2,0,0,0,0|1,0,1]=4 4270 B9R0.42 CC(CC(=O)CCl)C(=O)O Amb24585160 [0,2,0,0,0,0|0,0,0]=2 4271 B9R0.42 CC(CF)CC(N)C(=O)O Amb27838056 [0,2,0,0,0,0|1,0,1]=4 4272 B9R0.42 CC(CN(C)C#N)C(=O)O Amb35593372 [0,2,0,0,0,0|2,0,0]=4 4273 B9R0.42 CC(CO)CC(C)C(=O)O Amb27838009 [0,2,0,0,0,0|0,0,2]=4 4274 B9R0.42 CC(CO)CC(N)C(=O)O Amb25147300 [0,2,0,0,0,0|0,0,2]=4 4275 B9R0.42 CC(CO)C[C@@H](N)C(=O)O Amb33036727 [0,2,0,0,0,0|0,0,2]=4 4276 B9R0.42 CC(CO)C[C@H](N)C(=O)O Amb32865934 [0,2,0,0,0,0|0,0,2]=4 4277 B9R0.42 CC(C[C@H](N)CS)C(=O)O Amb27981242 [0,2,0,0,0,0|1,0,1]=4 4278 B9R0.42 CC(NC(=O)C=O)C(=O)O Amb27830810 [0,2,0,0,0,0|1,0,1]=4 4279 B9R0.42 CC(NC(=O)CBr)C(N)=O Amb27470048 [0,2,0,0,0,0|2,0,0]=4 4280 B9R0.42 CC(NC(=O)CCl)C(=O)Cl Amb27201426 [0,2,0,0,0,0|2,0,0]=4 4281 B9R0.42 CC(NC(=O)CCl)C(=O)O Amb3940604 [0,2,0,0,0,0|1,0,0]=3 4282 B9R0.42 CC(NC(=O)CN)C(=O)O Amb533807 [0,2,0,0,0,0|1,0,0]=3 4283 B9R0.42 CC(O)C(O)CC(=O)CO Amb27615146 [0,2,0,0,0,0|0,0,2]=4 4284 B9R0.42 CC(OC(=O)CCl)C(=O)O Amb28042677 [0,2,0,0,0,0|1,0,0]=3 4285 B9R0.42 CC(OC(=O)CN)C(N)=O Amb27596266 [0,2,0,0,0,0|2,0,0]=4 4286 B9R0.42 CC(OC(=O)CO)C(N)=O Amb28126899 [0,2,0,0,0,0|2,0,0]=4 4287 B9R0.42 CCC(=O)CC(=O)C(C)=O Amb25110491 [0,2,0,0,0,0|1,0,1]=4 4288 B9R0.42 CCC(=O)CC(N)C(=O)O Amb22546324 [0,2,0,0,0,0|0,0,0]=2 4289 B9R0.42 CCC(=O)CC(N)C(=O)O Amb24479073 [0,2,0,0,0,0|0,0,0]=2 4290 B9R0.42 CCC(=O)CC(N)C(N)=O Amb25129863 [0,2,0,0,0,0|1,0,0]=3 4291 B9R0.42 CCC(=O)CC(O)C(=O)O Amb27655574 [0,2,0,0,0,0|0,0,0]=2 4292 B9R0.42 CCC(=O)C[C@@H](N)C(=O)O Amb26061186 [0,2,0,0,0,0|0,0,0]=2 4293 B9R0.42 CCC(=O)C[C@H](N)C(=O)O Amb24479266 [0,2,0,0,0,0|0,0,0]=2 4294 B9R0.42 CCC(=O)NC(C)C(=O)O Amb1116933 [0,2,0,0,0,0|1,0,0]=3 4295 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O Amb22901053 [0,2,0,0,0,0|1,0,0]=3 4296 B9R0.42 CCC(=O)OC(C)C(C)=O Amb26063123 [0,2,0,0,0,0|2,0,0]=4 4297 B9R0.42 CCC(=O)\C=C(/C)C(=O)O Amb27613306 [0,2,0,0,0,0|0,0,2]=4 4298 B9R0.42 CCC(C)CC(C)C(=O)O Amb22228338 [0,2,0,0,0,0|1,0,1]=4 4299 B9R0.42 CCC(C)CC(Cl)C(=O)O Amb28050903 [0,2,0,0,0,0|1,0,1]=4 4300 B9R0.42 CCC(C)CC(N)C(=O)O Amb18313985 [0,2,0,0,0,0|1,0,1]=4 4301 B9R0.42 CCC(C)CC(N)C(=O)O Amb20667726 [0,2,0,0,0,0|1,0,1]=4 4302 B9R0.42 CCC(C)CC(O)C(=O)O Amb25849308 [0,2,0,0,0,0|1,0,1]=4 4303 B9R0.42 CCC(C)CC(S)C(=O)O Amb18798152 [0,2,0,0,0,0|1,0,1]=4 4304 B9R0.42 CCC(C)C[C@@H](C)C(=O)O Amb33727258 [0,2,0,0,0,0|1,0,1]=4 4305 B9R0.42 CCC(C)C[C@@H](N)C(=O)O Amb25127143 [0,2,0,0,0,0|1,0,1]=4 4306 B9R0.42 CCC(C)C[C@H](C)C(=O)O Amb33743264 [0,2,0,0,0,0|1,0,1]=4 4307 B9R0.42 CCC(C)C[C@H](N)C(=O)O Amb27471067 [0,2,0,0,0,0|1,0,1]=4 4308 B9R0.42 CCC(N)CC(N)C(=O)O Amb27205091 [0,2,0,0,0,0|1,0,1]=4 4309 B9R0.42 CCC(O)CC(C)C(=O)O Amb28348984 [0,2,0,0,0,0|0,0,2]=4 4310 B9R0.42 CCC(O)CC(Cl)C(=O)O Amb28244776 [0,2,0,0,0,0|0,0,2]=4 4311 B9R0.42 CCC(O)CC(N)C(=O)O Amb24117068 [0,2,0,0,0,0|0,0,2]=4 4312 B9R0.42 CCC(O)CC(O)C(=O)O Amb28050169 [0,2,0,0,0,0|0,0,2]=4 4313 B9R0.42 CCC(O)C[C@@H](N)C(=O)O Amb33065603 [0,2,0,0,0,0|0,0,2]=4 4314 B9R0.42 CCC(O)C[C@H](N)C(=O)O Amb24759913 [0,2,0,0,0,0|0,0,2]=4 4315 B9R0.42 CCN(C)CC(C)C(=O)O Amb8428202 [0,2,0,0,0,0|2,0,0]=4 4316 B9R0.42 CCN(C)CC(C)C(=O)O Amb9173364 [0,2,0,0,0,0|2,0,0]=4 4317 B9R0.42 CCN(C)CC(N)C(=O)O Amb27478110 [0,2,0,0,0,0|2,0,0]=4 4318 B9R0.42 CCS(=O)CC(C)C(=O)O Amb19012076 [0,2,0,0,0,0|1,0,0]=3 4319 B9R0.42 CCS(=O)CC(Cl)C(N)=O Amb28121099 [0,2,0,0,0,0|2,0,0]=4 4320 B9R0.42 CCS(=O)CC(O)C(=O)O Amb28342085 [0,2,0,0,0,0|1,0,0]=3 4321 B9R0.42 CCS(=O)C[C@H](N)C(=O)O Amb28118843 [0,2,0,0,0,0|1,0,0]=3 4322 B9R0.42 CCS(=O)NC(C)C(=O)O Amb28319239 [0,2,0,0,0,0|2,0,0]=4 4323 B9R0.42 CCS(=O)N[C@@H](C)C(=O)O Amb27243800 [0,2,0,0,0,0|2,0,0]=4 4324 B9R0.42 CC[C@@H](C)C[C@@H](C)C(=O)O Amb28248596 [0,2,0,0,0,0|1,0,1]=4 4325 B9R0.42 CC[C@@H](C)C[C@H](O)C(=O)O Amb27770344 [0,2,0,0,0,0|1,0,1]=4 4326 B9R0.42 CC[C@H](C)CC(C)C(=O)O Amb27770364 [0,2,0,0,0,0|1,0,1]=4 4327 B9R0.42 CC[C@H](C)CC(N)C(=O)O Amb28364291 [0,2,0,0,0,0|1,0,1]=4 4328 B9R0.42 CC[C@H](C)C[C@H](C)C(=O)O Amb27472997 [0,2,0,0,0,0|1,0,1]=4 4329 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O Amb25662528 [0,2,0,0,0,0|1,0,1]=4 4330 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O Amb33620552 [0,2,0,0,0,0|1,0,1]=4 4331 B9R0.42 CNC(=O)CC(C)C(N)=O Amb17334219 [0,2,0,0,0,0|1,0,0]=3 4332 B9R0.42 CNC(=O)CC(N)C(=O)O Amb27839034 [0,2,0,0,0,0|0,0,0]=2 4333 B9R0.42 CNC(=O)CN(C)C(C)=O Amb33530553 [0,2,0,0,0,0|2,0,0]=4 4334 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O Amb20240891 [0,2,0,0,0,0|0,0,0]=2 4335 B9R0.42 CNC(=O)NC(C)C(=O)O Amb1130316 [0,2,0,0,0,0|1,0,0]=3 4336 B9R0.42 CNC(=O)NC(C)C(N)=O Amb27255879 [0,2,0,0,0,0|2,0,0]=4 4337 B9R0.42 CNC(=O)N[C@@H](C)C(=O)O Amb24478025 [0,2,0,0,0,0|1,0,0]=3 4338 B9R0.42 CNC(=O)N[C@H](C)C(=O)O Amb24558529 [0,2,0,0,0,0|1,0,0]=3 4339 B9R0.42 CNC(=O)OC(C)C(=O)O Amb35655772 [0,2,0,0,0,0|1,0,0]=3 4340 B9R0.42 CNC(=O)O[C@@H](C)C(=O)O Amb35647450 [0,2,0,0,0,0|1,0,0]=3 4341 B9R0.42 CNC(=O)O[C@H](C)C(=O)O Amb29866286 [0,2,0,0,0,0|1,0,0]=3 4342 B9R0.42 COC(=O)CC(=O)C(=O)O Amb22728219 [0,2,0,0,0,0|0,0,1]=3 4343 B9R0.42 COC(=O)CC(=O)C(=O)[O-] Amb34916317 [0,2,0,0,0,0|0,0,2]=4 4344 B9R0.42 COC(=O)CC(=O)C(C)=O Amb25146895 [0,2,0,0,0,0|0,0,1]=3 4345 B9R0.42 COC(=O)CC(Br)C(=O)O Amb18656998 [0,2,0,0,0,0|0,0,0]=2 4346 B9R0.42 COC(=O)CC(Br)C(C)=O Amb17403794 [0,2,0,0,0,0|0,0,0]=2 4347 B9R0.42 COC(=O)CC(Br)C(N)=O Amb27969234 [0,2,0,0,0,0|1,0,0]=3 4348 B9R0.42 COC(=O)CC(C)C(=N)N Amb27971074 [0,2,0,0,0,0|2,0,0]=4 4349 B9R0.42 COC(=O)CC(C)C(=O)Cl Amb27972299 [0,2,0,0,0,0|1,0,0]=3 4350 B9R0.42 COC(=O)CC(C)C(=O)O Amb18644239 [0,2,0,0,0,0|0,0,0]=2 4351 B9R0.42 COC(=O)CC(C)C(=O)[O-] Amb34915052 [0,2,0,0,0,0|0,0,1]=3 4352 B9R0.42 COC(=O)CC(C)N(C)C Amb9399294 [0,2,0,0,0,0|2,0,0]=4 4353 B9R0.42 COC(=O)CC(C)[N+](=O)[O-] Amb27444812 [0,2,0,0,0,0|1,0,1]=4 4354 B9R0.42 COC(=O)CC(Cl)C(=O)O Amb32941126 [0,2,0,0,0,0|0,0,0]=2 4355 B9R0.42 COC(=O)CC(Cl)C(C)=O Amb25061154 [0,2,0,0,0,0|0,0,0]=2 4356 B9R0.42 COC(=O)CC(N)C(=O)O Amb22489498 [0,2,0,0,0,0|0,0,0]=2 4357 B9R0.42 COC(=O)CC(N)C(=O)O Amb7172558 [0,2,0,0,0,0|0,0,0]=2 4358 B9R0.42 COC(=O)CC(N)C(=O)O Amb8390391 [0,2,0,0,0,0|0,0,0]=2 4359 B9R0.42 COC(=O)CC(N)C(C)C Amb22168224 [0,2,0,0,0,0|1,0,1]=4 4360 B9R0.42 COC(=O)CC(N)C(C)C Amb26870018 [0,2,0,0,0,0|1,0,1]=4 4361 B9R0.42 COC(=O)CC(O)C(=O)O Amb25786182 [0,2,0,0,0,0|0,0,0]=2 4362 B9R0.42 COC(=O)CC(O)C(C)C Amb24423234 [0,2,0,0,0,0|1,0,1]=4 4363 B9R0.42 COC(=O)CC(O)C(C)N Amb27429441 [0,2,0,0,0,0|1,0,1]=4 4364 B9R0.42 COC(=O)CC(O)C(C)O Amb27969056 [0,2,0,0,0,0|0,0,2]=4 4365 B9R0.42 COC(=O)CC(O)C(N)=O Amb27830345 [0,2,0,0,0,0|1,0,0]=3 4366 B9R0.42 COC(=O)CC(O)[C@H](C)O Amb27455910 [0,2,0,0,0,0|0,0,2]=4 4367 B9R0.42 COC(=O)CN(C)C(=O)Cl Amb35749071 [0,2,0,0,0,0|2,0,0]=4 4368 B9R0.42 COC(=O)CN(C)C(C)=O Amb9263349 [0,2,0,0,0,0|1,0,0]=3 4369 B9R0.42 COC(=O)C[C@@H](C)C(=O)O Amb3939892 [0,2,0,0,0,0|0,0,0]=2 4370 B9R0.42 COC(=O)C[C@@H](C)C(C)=O Amb26846867 [0,2,0,0,0,0|0,0,0]=2 4371 B9R0.42 COC(=O)C[C@@H](C)C(N)=O Amb27169355 [0,2,0,0,0,0|1,0,0]=3 4372 B9R0.42 COC(=O)C[C@@H](N)C(=O)O Amb22745861 [0,2,0,0,0,0|0,0,0]=2 4373 B9R0.42 COC(=O)C[C@@H](N)C(=O)O Amb8385327 [0,2,0,0,0,0|0,0,0]=2 4374 B9R0.42 COC(=O)C[C@@H](N)C(C)C Amb26391960 [0,2,0,0,0,0|1,0,1]=4 4375 B9R0.42 COC(=O)C[C@@H](N)C(C)C Amb30640927 [0,2,0,0,0,0|1,0,1]=4 4376 B9R0.42 COC(=O)C[C@@H](N)[C@@H](C)O Amb28340873 [0,2,0,0,0,0|0,0,2]=4 4377 B9R0.42 COC(=O)C[C@@H](O)C(=O)O Amb23603858 [0,2,0,0,0,0|0,0,0]=2 4378 B9R0.42 COC(=O)C[C@@H](O)C(C)C Amb25847717 [0,2,0,0,0,0|1,0,1]=4 4379 B9R0.42 COC(=O)C[C@@H](O)[C@H](C)N Amb27429613 [0,2,0,0,0,0|1,0,1]=4 4380 B9R0.42 COC(=O)C[C@H](Br)C(=O)O Amb26619839 [0,2,0,0,0,0|0,0,0]=2 4381 B9R0.42 COC(=O)C[C@H](C)C(=O)O Amb26967622 [0,2,0,0,0,0|0,0,0]=2 4382 B9R0.42 COC(=O)C[C@H](C)C(C)=O Amb26873807 [0,2,0,0,0,0|0,0,0]=2 4383 B9R0.42 COC(=O)C[C@H](N)C(=O)O Amb8629121 [0,2,0,0,0,0|0,0,0]=2 4384 B9R0.42 COC(=O)C[C@H](N)C(C)C Amb23401522 [0,2,0,0,0,0|1,0,1]=4 4385 B9R0.42 COC(=O)C[C@H](N)C(C)C Amb25865860 [0,2,0,0,0,0|1,0,1]=4 4386 B9R0.42 COC(=O)C[C@H](O)C(=O)O Amb25367304 [0,2,0,0,0,0|0,0,0]=2 4387 B9R0.42 COC(=O)C[C@H](O)C(C)C Amb26322416 [0,2,0,0,0,0|1,0,1]=4 4388 B9R0.42 COC(=O)C[C@H](O)C(N)=O Amb28120921 [0,2,0,0,0,0|1,0,0]=3 4389 B9R0.42 COC(=O)C[C@H](O)[C@H](C)O Amb28069717 [0,2,0,0,0,0|0,0,2]=4 4390 B9R0.42 COC(=O)NC(C)C(=O)O Amb6668789 [0,2,0,0,0,0|1,0,0]=3 4391 B9R0.42 COC(=O)N[C@@H](C)C(=O)O Amb24477985 [0,2,0,0,0,0|1,0,0]=3 4392 B9R0.42 COC(=O)N[C@H](C)C(=O)O Amb24381066 [0,2,0,0,0,0|1,0,0]=3 4393 B9R0.42 COC(=O)N[C@H](C)C(N)=O Amb27428453 [0,2,0,0,0,0|2,0,0]=4 4394 B9R0.42 COC(=O)SC(C)C(C)=O Amb27243977 [0,2,0,0,0,0|1,0,0]=3 4395 B9R0.42 COC(=O)\C=C(/C)C(=O)O Amb18644070 [0,2,0,0,0,0|0,0,2]=4 4396 B9R0.42 COC(=O)\C=C(/C)C(C)=O Amb20668358 [0,2,0,0,0,0|0,0,2]=4 4397 B9R0.42 COC(=S)SC(C)C(=O)O Amb28458571 [0,2,0,0,0,0|1,1,0]=4 4398 B9R0.42 COC(C)CC(C)C(C)=O Amb27841945 [0,2,0,0,0,0|1,0,1]=4 4399 B9R0.42 COC(C)CC(N)C(=O)O Amb25147752 [0,2,0,0,0,0|0,0,2]=4 4400 B9R0.42 COC(C)CC(O)C(=O)O Amb33353368 [0,2,0,0,0,0|0,0,2]=4 4401 B9R0.42 COC(C)C[C@@H](N)C(=O)O Amb24412403 [0,2,0,0,0,0|0,0,2]=4 4402 B9R0.42 COC(C)C[C@H](N)C(=O)O Amb27801695 [0,2,0,0,0,0|0,0,2]=4 4403 B9R0.42 CSC(C)C[C@H](N)C(=O)O Amb28208334 [0,2,0,0,0,0|0,1,1]=4 4404 B9R0.42 CS[C@@H](C)C[C@@H](N)C(=O)O Amb27755570 [0,2,0,0,0,0|0,1,1]=4 4405 B9R0.42 C[C@@H](CO)C[C@@H](N)C(=O)O Amb27398331 [0,2,0,0,0,0|0,0,2]=4 4406 B9R0.42 C[C@@H](C[C@@H](O)CN)C(=O)O Amb27768864 [0,2,0,0,0,0|0,0,2]=4 4407 B9R0.42 C[C@@H](NC(=O)CCl)C(=O)O Amb10842258 [0,2,0,0,0,0|1,0,0]=3 4408 B9R0.42 C[C@@H](NC(=O)CN)C(N)=O Amb27865946 [0,2,0,0,0,0|2,0,0]=4 4409 B9R0.42 C[C@H](CO)C[C@H](N)C(=O)O Amb27625117 [0,2,0,0,0,0|0,0,2]=4 4410 B9R0.42 C[C@H](C[C@@H](O)CN)C(=O)O Amb27169198 [0,2,0,0,0,0|0,0,2]=4 4411 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O Amb2781694 [0,2,0,0,0,0|1,0,0]=3 4412 B9R0.42 C[C@H](NC(=O)CN)C(=O)O Amb537542 [0,2,0,0,0,0|1,0,0]=3 4413 B9R0.42 C[C@H](NC(=O)CS)C(=O)O Amb27780474 [0,2,0,0,0,0|1,0,0]=3 4414 B9R0.42 C[C@H](OC(=O)CBr)C(N)=O Amb27985898 [0,2,0,0,0,0|2,0,0]=4 4415 B9R0.42 C\C(=C/Cl)CC(N)C(=O)O Amb25934493 [0,2,0,0,0,0|1,0,0]=3 4416 B9R0.42 C\C(=C/Cl)CC(N)C(N)=O Amb27946722 [0,2,0,0,0,0|2,0,0]=4 4417 B9R0.42 C\C(=C/Cl)C[C@@H](N)C(=O)O Amb27168937 [0,2,0,0,0,0|1,0,0]=3 4418 B9R0.42 C\C(=C/Cl)C[C@H](N)C(=O)O Amb26888703 [0,2,0,0,0,0|1,0,0]=3 4419 B9R0.42 C\C(=N/C(=O)CO)C(=O)O Amb27426561 [0,2,0,0,0,0|1,0,1]=4 4420 B9R0.42 C\C=C(/C)C[C@H](N)C(=O)O Amb27827659 [0,2,0,0,0,0|1,0,0]=3 4421 B9R0.42 NC(CC(=O)CI)C(=O)O Amb27803464 [0,2,0,0,0,0|0,0,0]=2 4422 B9R0.42 NC(CC(=O)CO)C(=O)O Amb18644310 [0,2,0,0,0,0|0,0,0]=2 4423 B9R0.42 NC(CC(=O)NO)C(=O)O Amb22349932 [0,2,0,0,0,0|1,0,0]=3 4424 B9R0.42 NC(CC(F)CO)C(=O)O Amb27632459 [0,2,0,0,0,0|1,0,1]=4 4425 B9R0.42 NC(CC(O)C=O)C(=O)O Amb28126784 [0,2,0,0,0,0|1,0,1]=4 4426 B9R0.42 NC(CC(O)CF)C(=O)O Amb33065776 [0,2,0,0,0,0|0,0,2]=4 4427 B9R0.42 NC(CC(O)CO)C(=O)O Amb18644388 [0,2,0,0,0,0|0,0,2]=4 4428 B9R0.42 NC(CC(O)CO)C(=O)O Amb24117285 [0,2,0,0,0,0|0,0,2]=4 4429 B9R0.42 NC(C\C(Cl)=C\Cl)C(=O)O Amb27232854 [0,2,0,0,0,0|1,0,1]=4 4430 B9R0.42 NC(\C=C(\P)C=O)C(=O)O Amb25361040 [0,2,0,0,0,0|1,0,1]=4 4431 B9R0.42 NCC(F)C[C@H](N)C(=O)O Amb28126719 [0,2,0,0,0,0|1,0,1]=4 4432 B9R0.42 NCC(O)CC(N)C(=O)O Amb30988061 [0,2,0,0,0,0|0,0,2]=4 4433 B9R0.42 NCC(O)CC(O)C(=O)O Amb27170737 [0,2,0,0,0,0|0,0,2]=4 4434 B9R0.42 NC[C@H](O)CC(O)C(=O)O Amb27590744 [0,2,0,0,0,0|0,0,2]=4 4435 B9R0.42 NNC(=O)C[C@H](N)C(=O)O Amb24680907 [0,2,0,0,0,0|1,0,0]=3 4436 B9R0.42 N[C@@H](CC(=O)CCl)C(=O)O Amb27168692 [0,2,0,0,0,0|0,0,0]=2 4437 B9R0.42 N[C@@H](CC(=O)CI)C(=O)O Amb27248631 [0,2,0,0,0,0|0,0,0]=2 4438 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O Amb28050099 [0,2,0,0,0,0|0,0,0]=2 4439 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O Amb28320876 [0,2,0,0,0,0|1,0,0]=3 4440 B9R0.42 N[C@@H](CC(O)CCl)C(=O)O Amb27837835 [0,2,0,0,0,0|0,0,2]=4 4441 B9R0.42 N[C@@H](CC(O)CF)C(=O)O Amb33036578 [0,2,0,0,0,0|0,0,2]=4 4442 B9R0.42 N[C@@H](CC(O)CO)C(=O)O Amb25870815 [0,2,0,0,0,0|0,0,2]=4 4443 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O Amb17607759 [0,2,0,0,0,0|2,0,0]=4 4444 B9R0.42 N[C@H](CC(O)CF)C(=O)O Amb32796094 [0,2,0,0,0,0|0,0,2]=4 4445 B9R0.42 N[C@H](CC(O)CO)C(=O)O Amb33036156 [0,2,0,0,0,0|0,0,2]=4 4446 B9R0.42 N[C@H](CN(O)N=O)C(=O)O Amb27976802 [0,2,0,0,0,0|2,0,0]=4 4447 B9R0.42 N\C=C(/N)CC(N)C(=O)O Amb28250396 [0,2,0,0,0,0|1,0,1]=4 4448 B9R0.42 O=C(CBr)C[C@H](O)C(=O)O Amb27876238 [0,2,0,0,0,0|0,0,0]=2 4449 B9R0.42 O=C(CCl)NC(O)C(=O)O Amb27598875 [0,2,0,0,0,0|1,0,0]=3 4450 B9R0.42 O=C(O)C(Br)CC(Br)CCl Amb28315583 [0,2,0,0,0,0|1,0,1]=4 4451 B9R0.42 O=C(O)C(O)C[C@H](O)CO Amb27984868 [0,2,0,0,0,0|0,0,2]=4 4452 B9R0.43 C=C=C(C#N)CCC(C)=O Amb24707008 [0,2,0,0,0,0|2,0,0]=4 4453 B9R0.43 C=CC(C=O)CCC(C)=O Amb24619623 [0,2,0,0,0,0|1,0,1]=4 4454 B9R0.43 C=CN(C=O)CCC(C)=O Amb25146830 [0,2,0,0,0,0|2,0,0]=4 4455 B9R0.43 CC(=O)OC\C(C=O)=N\O Amb27438152 [0,2,0,0,0,0|1,0,0]=3 4456 B9R0.43 CCC(C#N)CCC(=O)O Amb18643712 [0,2,0,0,0,0|1,0,1]=4 4457 B9R0.43 CCC(C=O)CCC(C)=O Amb18643911 [0,2,0,0,0,0|1,0,1]=4 4458 B9R0.43 CCC(CC)CCC(=O)O Amb27462787 [0,2,0,0,0,0|1,0,1]=4 4459 B9R0.43 CCC(CCC(=O)O)NC Amb27230822 [0,2,0,0,0,0|1,0,1]=4 4460 B9R0.43 CCC(CCC(=O)O)OC Amb26936159 [0,2,0,0,0,0|0,0,2]=4 4461 B9R0.43 CCC(CCC(C)=O)OC Amb26981457 [0,2,0,0,0,0|1,0,1]=4 4462 B9R0.43 CCC(CO)CCC(C)=O Amb8395984 [0,2,0,0,0,0|1,0,1]=4 4463 B9R0.43 CCN(C=O)CCC(C)=O Amb24458250 [0,2,0,0,0,0|2,0,0]=4 4464 B9R0.43 CCN(CC)CCC(=O)O Amb6651899 [0,2,0,0,0,0|2,0,0]=4 4465 B9R0.43 CCN(CC)CCC(=O)O Amb8513118 [0,2,0,0,0,0|2,0,0]=4 4466 B9R0.43 CC[C@H](C=O)CCC(C)=O Amb24573990 [0,2,0,0,0,0|1,0,1]=4 4467 B9R0.43 CC\C(CCC(=O)O)=N/O Amb27459310 [0,2,0,0,0,0|0,0,1]=3 4468 B9R0.43 CNC(=NCC(=O)O)NC Amb24478941 [0,2,0,0,0,0|2,0,0]=4 4469 B9R0.43 COC(CCC(=O)O)OC Amb24657204 [0,2,0,0,0,0|0,0,2]=4 4470 B9R0.43 CSC(=NCC(=O)O)SC Amb28118980 [0,2,0,0,0,0|1,1,0]=4 4471 B9R0.43 C\C=C(/C=O)COC(C)=O Amb25371691 [0,2,0,0,0,0|2,0,0]=4 4472 B9R0.43 C\C=C(/CC)CCC(C)=O Amb25857597 [0,2,0,0,0,0|2,0,0]=4 4473 B9R0.43 C\C=C(\CO)COC(C)=O Amb27443414 [0,2,0,0,0,0|2,0,0]=4 4474 B9R0.43 N#C\C(CCC(=O)O)=N/O Amb27259756 [0,2,0,0,0,0|0,0,2]=4 4475 B9R0.48 C#CCC(=O)NCC(=O)O Amb27641047 [0,2,0,0,0,0|1,0,0]=3 4476 B9R0.48 C#CCN(C)CCC(=O)O Amb17561257 [0,2,0,0,0,0|2,0,0]=4 4477 B9R0.48 C=C(C)CCC(=O)CCN Amb27467366 [0,2,0,0,0,0|2,0,0]=4 4478 B9R0.48 C=C(C)CCC(=O)OCC Amb22270105 [0,2,0,0,0,0|1,0,0]=3 4479 B9R0.48 C=C(C)CCC(=O)\C=C\C Amb27839606 [0,2,0,0,0,0|2,0,0]=4 4480 B9R0.48 C=C(C)CC\C(C)=C\C=O Amb18643300 [0,2,0,0,0,0|2,0,0]=4 4481 B9R0.48 C=C(C)CC\C(C)=C\CO Amb28460692 [0,2,0,0,0,0|2,0,0]=4 4482 B9R0.48 C=C(C)CNC(=O)OCC Amb4016947 [0,2,0,0,0,0|2,0,0]=4 4483 B9R0.48 C=C(C)COC(=O)COC Amb27255954 [0,2,0,0,0,0|2,0,0]=4 4484 B9R0.48 C=C(CCC)CCC(=O)O Amb27475552 [0,2,0,0,0,0|1,0,0]=3 4485 B9R0.48 C=C(COC(C)=O)OCC Amb28050232 [0,2,0,0,0,0|2,0,0]=4 4486 B9R0.48 C=CCC(C)CCC(=O)O Amb27605823 [0,2,0,0,0,0|1,0,1]=4 4487 B9R0.48 C=CCC(O)CCC(C)=O Amb28194573 [0,2,0,0,0,0|1,0,1]=4 4488 B9R0.48 C=CC[C@@H](O)CCC(C)=O Amb28386579 [0,2,0,0,0,0|1,0,1]=4 4489 B9R0.48 C=CNC(=O)CCC(=O)O Amb24505247 [0,2,0,0,0,0|0,0,1]=3 4490 B9R0.48 C=CNC(=O)CCC(N)=O Amb27831982 [0,2,0,0,0,0|1,0,1]=4 4491 B9R0.48 C=COC(=O)NCC(=O)O Amb28063004 [0,2,0,0,0,0|1,0,1]=4 4492 B9R0.48 CC(=C\C=O)\C=C\C(=O)O Amb27210491 [0,2,0,0,0,0|0,0,2]=4 4493 B9R0.48 CC(=O)CCC(C)CC=O Amb28199726 [0,2,0,0,0,0|1,0,1]=4 4494 B9R0.48 CC(=O)CCC(O)CC#N Amb18643714 [0,2,0,0,0,0|1,0,1]=4 4495 B9R0.48 CC(=O)CC[C@@H](C)CCO Amb27944575 [0,2,0,0,0,0|1,0,1]=4 4496 B9R0.48 CC(=O)CC[C@H](C)CC=O Amb27255456 [0,2,0,0,0,0|1,0,1]=4 4497 B9R0.48 CC(=O)CC\C(C)=C/C=O Amb27643630 [0,2,0,0,0,0|1,0,0]=3 4498 B9R0.48 CC(=O)CC\C(C)=C\C=O Amb27818040 [0,2,0,0,0,0|1,0,0]=3 4499 B9R0.48 CC(=O)CN\C(C)=C\C=O Amb28326012 [0,2,0,0,0,0|2,0,0]=4 4500 B9R0.48 CC(=O)COC(=O)CC#N Amb27652757 [0,2,0,0,0,0|2,0,0]=4 4501 B9R0.48 CC(=O)NNC(=O)OCCl Amb30030143 [0,2,0,0,0,0|2,0,0]=4 4502 B9R0.48 CC(=O)OCC(=O)C=[N+]=[N-] Amb17593580 [0,2,0,0,0,0|2,0,0]=4 4503 B9R0.48 CC(=O)OC\C(C)=C\C=O Amb28385065 [0,2,0,0,0,0|2,0,0]=4 4504 B9R0.48 CC(=O)SCC(=O)NCS Amb27837955 [0,2,0,0,0,0|1,1,0]=4 4505 B9R0.48 CC(C)CCC(=O)OCCl Amb24480678 [0,2,0,0,0,0|1,0,1]=4 4506 B9R0.48 CC(CC=O)CCC(=O)O Amb27439382 [0,2,0,0,0,0|0,0,1]=3 4507 B9R0.48 CC(CCC(=O)O)N=C=O Amb33471389 [0,2,0,0,0,0|0,0,1]=3 4508 B9R0.48 CC(CCC(=O)O)N=C=S Amb33471622 [0,2,0,0,0,0|0,1,1]=4 4509 B9R0.48 CC(CCCl)CCC(=O)O Amb27834348 [0,2,0,0,0,0|1,0,1]=4 4510 B9R0.48 CC(CCN)CCC(=O)O Amb18124749 [0,2,0,0,0,0|1,0,1]=4 4511 B9R0.48 CC(CCS)CCC(=O)O Amb28291582 [0,2,0,0,0,0|0,1,1]=4 4512 B9R0.48 CC(\C=C\C(=O)O)=C/C=O Amb27215348 [0,2,0,0,0,0|0,0,2]=4 4513 B9R0.48 CCCC(=O)CCB(O)O Amb28049896 [0,2,0,0,0,0|1,0,1]=4 4514 B9R0.48 CCCC(=O)CCC(C)=O Amb2721037 [0,2,0,0,0,0|1,0,0]=3 4515 B9R0.48 CCCC(=O)COC(C)=O Amb28437151 [0,2,0,0,0,0|2,0,0]=4 4516 B9R0.48 CCCC(=O)NCC(=O)O Amb5741675 [0,2,0,0,0,0|1,0,0]=3 4517 B9R0.48 CCCC(=O)NCC(N)=O Amb17231980 [0,2,0,0,0,0|2,0,0]=4 4518 B9R0.48 CCCC(=O)OCC(=O)O Amb27655588 [0,2,0,0,0,0|1,0,0]=3 4519 B9R0.48 CCCC(=O)OCC(C)=O Amb28350457 [0,2,0,0,0,0|2,0,0]=4 4520 B9R0.48 CCCC(=O)SCC(=O)O Amb27400351 [0,2,0,0,0,0|1,0,0]=3 4521 B9R0.48 CCCC(C)CCC(=O)O Amb28193257 [0,2,0,0,0,0|1,0,1]=4 4522 B9R0.48 CCCC(N)CCC(=O)O Amb1014101 [0,2,0,0,0,0|1,0,1]=4 4523 B9R0.48 CCCC(O)CCC(=O)O Amb17689110 [0,2,0,0,0,0|0,0,2]=4 4524 B9R0.48 CCCN(C)CCC(=O)O Amb33546079 [0,2,0,0,0,0|2,0,0]=4 4525 B9R0.48 CCCN(C)CCC(=O)O Amb8899165 [0,2,0,0,0,0|2,0,0]=4 4526 B9R0.48 CCCN(O)CCC(=O)O Amb27196070 [0,2,0,0,0,0|1,0,1]=4 4527 B9R0.48 CCCS(=O)CCC(=O)O Amb18792575 [0,2,0,0,0,0|1,0,0]=3 4528 B9R0.48 CCC[C@@H](O)CCC(=O)O Amb28050107 [0,2,0,0,0,0|0,0,2]=4 4529 B9R0.48 CCC[C@H](C)CCC(=O)O Amb24446759 [0,2,0,0,0,0|1,0,1]=4 4530 B9R0.48 CCC[C@H](O)CCC(=O)O Amb27618330 [0,2,0,0,0,0|0,0,2]=4 4531 B9R0.48 CCNC(=O)CCC(=O)O Amb2967295 [0,2,0,0,0,0|0,0,0]=2 4532 B9R0.48 CCNC(=O)CCC(C)=O Amb17334212 [0,2,0,0,0,0|1,0,0]=3 4533 B9R0.48 CCNC(=O)CCC(C)O Amb17334243 [0,2,0,0,0,0|1,0,1]=4 4534 B9R0.48 CCNC(=O)CCC(N)=O Amb17142864 [0,2,0,0,0,0|1,0,0]=3 4535 B9R0.48 CCNC(=O)NCC(=O)O Amb1129570 [0,2,0,0,0,0|1,0,0]=3 4536 B9R0.48 CCNC(=O)NCC(C)=O Amb28194385 [0,2,0,0,0,0|2,0,0]=4 4537 B9R0.48 CCNC(=O)OCC(=O)O Amb27173452 [0,2,0,0,0,0|1,0,0]=3 4538 B9R0.48 CCNC(=O)OCC(C)=O Amb27660754 [0,2,0,0,0,0|2,0,0]=4 4539 B9R0.48 CCNC(=O)OCC(N)=O Amb28126696 [0,2,0,0,0,0|2,0,0]=4 4540 B9R0.48 CCNC(=O)\C=C/C(=O)O Amb1235096 [0,2,0,0,0,0|0,0,2]=4 4541 B9R0.48 CCNC(=O)\C=C\C(=O)O Amb9251696 [0,2,0,0,0,0|0,0,2]=4 4542 B9R0.48 CCNC(=S)NCC(=O)O Amb25857780 [0,2,0,0,0,0|1,1,0]=4 4543 B9R0.48 CCNC(=S)OCC(=O)O Amb28343116 [0,2,0,0,0,0|1,1,0]=4 4544 B9R0.48 CCOC(=O)C#CC(C)=O Amb26959237 [0,2,0,0,0,0|0,0,2]=4 4545 B9R0.48 CCOC(=O)CC=C(C)C Amb4036274 [0,2,0,0,0,0|1,0,1]=4 4546 B9R0.48 CCOC(=O)CCB(O)O Amb25244100 [0,2,0,0,0,0|1,0,1]=4 4547 B9R0.48 CCOC(=O)CCC(=O)Cl Amb3939960 [0,2,0,0,0,0|1,0,0]=3 4548 B9R0.48 CCOC(=O)CCC(=O)O Amb1151260 [0,2,0,0,0,0|0,0,0]=2 4549 B9R0.48 CCOC(=O)CCC(C)=O Amb4605992 [0,2,0,0,0,0|0,0,0]=2 4550 B9R0.48 CCOC(=O)CCC(C)Br Amb20618752 [0,2,0,0,0,0|1,0,1]=4 4551 B9R0.48 CCOC(=O)CCC(C)C Amb9273760 [0,2,0,0,0,0|1,0,1]=4 4552 B9R0.48 CCOC(=O)CCC(C)N Amb25690130 [0,2,0,0,0,0|1,0,1]=4 4553 B9R0.48 CCOC(=O)CCC(C)N Amb33552104 [0,2,0,0,0,0|1,0,1]=4 4554 B9R0.48 CCOC(=O)CCC(C)O Amb26877286 [0,2,0,0,0,0|0,0,2]=4 4555 B9R0.48 CCOC(=O)CCC(N)=O Amb8997750 [0,2,0,0,0,0|1,0,0]=3 4556 B9R0.48 CCOC(=O)CCN(C)C Amb6608740 [0,2,0,0,0,0|2,0,0]=4 4557 B9R0.48 CCOC(=O)CCS(=O)Cl Amb25945213 [0,2,0,0,0,0|2,0,0]=4 4558 B9R0.48 CCOC(=O)CCS(=O)O Amb24551974 [0,2,0,0,0,0|1,0,0]=3 4559 B9R0.48 CCOC(=O)CCS(=O)[O-] Amb26074084 [0,2,0,0,0,0|1,0,1]=4 4560 B9R0.48 CCOC(=O)CCS(C)=O Amb18788306 [0,2,0,0,0,0|1,0,0]=3 4561 B9R0.48 CCOC(=O)CCS(N)=O Amb32719564 [0,2,0,0,0,0|2,0,0]=4 4562 B9R0.48 CCOC(=O)CC[C@@H](C)O Amb27486190 [0,2,0,0,0,0|0,0,2]=4 4563 B9R0.48 CCOC(=O)CC[C@H](C)O Amb28370101 [0,2,0,0,0,0|0,0,2]=4 4564 B9R0.48 CCOC(=O)CC[N+](=O)[O-] Amb22739667 [0,2,0,0,0,0|1,0,1]=4 4565 B9R0.48 CCOC(=O)CNC(C)=O Amb33534694 [0,2,0,0,0,0|1,0,0]=3 4566 B9R0.48 CCOC(=O)CNC(C)=S Amb27794578 [0,2,0,0,0,0|1,1,0]=4 4567 B9R0.48 CCOC(=O)CNC(N)=O Amb2438049 [0,2,0,0,0,0|2,0,0]=4 4568 B9R0.48 CCOC(=O)COC(=O)Cl Amb27803973 [0,2,0,0,0,0|2,0,0]=4 4569 B9R0.48 CCOC(=O)NCC(=O)O Amb6246368 [0,2,0,0,0,0|1,0,0]=3 4570 B9R0.48 CCOC(=O)NCC(N)=O Amb27392498 [0,2,0,0,0,0|2,0,0]=4 4571 B9R0.48 CCOC(=O)NOC(C)=O Amb28050560 [0,2,0,0,0,0|2,0,0]=4 4572 B9R0.48 CCOC(=O)OCC(=O)O Amb25367281 [0,2,0,0,0,0|1,0,0]=3 4573 B9R0.48 CCOC(=O)\C=C/C(=O)O Amb24462678 [0,2,0,0,0,0|0,0,2]=4 4574 B9R0.48 CCOC(=O)\C=C\C(=O)O Amb2189151 [0,2,0,0,0,0|0,0,2]=4 4575 B9R0.48 CCOC(=O)\C=C\C(C)=O Amb3428594 [0,2,0,0,0,0|0,0,2]=4 4576 B9R0.48 CCOC(=O)\C=N\C(C)=O Amb27770427 [0,2,0,0,0,0|1,0,1]=4 4577 B9R0.48 CCOC(=O)\N=C\C(C)=O Amb27668941 [0,2,0,0,0,0|1,0,1]=4 4578 B9R0.48 CCOC(=S)NCC(=O)O Amb26481347 [0,2,0,0,0,0|1,1,0]=4 4579 B9R0.48 CCOC(=S)SCC(=O)O Amb4017675 [0,2,0,0,0,0|1,1,0]=4 4580 B9R0.48 CCOC(=S)SCC(C)=O Amb17872265 [0,2,0,0,0,0|1,1,0]=4 4581 B9R0.48 CCOC(C)CCC(=O)O Amb24690847 [0,2,0,0,0,0|0,0,2]=4 4582 B9R0.48 CCOC(C)CCC(C)=O Amb27859467 [0,2,0,0,0,0|1,0,1]=4 4583 B9R0.48 CCO\C(C)=C\CC(C)=O Amb27630467 [0,2,0,0,0,0|1,0,1]=4 4584 B9R0.48 CCSC(=O)CCC(C)=O Amb28253786 [0,2,0,0,0,0|0,1,0]=3 4585 B9R0.48 CCSC(=O)CNC(C)=O Amb25146289 [0,2,0,0,0,0|1,1,0]=4 4586 B9R0.48 CCSC(=S)SCC(=O)O Amb28385725 [0,2,0,0,0,0|1,1,0]=4 4587 B9R0.48 CCS\C(S)=N/CC(=O)O Amb21862600 [0,2,0,0,0,0|1,1,0]=4 4588 B9R0.48 CC\C=C(/C)CCC(=O)O Amb27832037 [0,2,0,0,0,0|1,0,0]=3 4589 B9R0.48 CC\C=C(/C)CCC(C)=O Amb27464326 [0,2,0,0,0,0|2,0,0]=4 4590 B9R0.48 CC\C=C(\C)CCC(=O)O Amb27811548 [0,2,0,0,0,0|1,0,0]=3 4591 B9R0.48 CN(C)CCC(=O)ONN Amb27217216 [0,2,0,0,0,0|2,0,0]=4 4592 B9R0.48 CN(CC#N)CCC(=O)O Amb17561163 [0,2,0,0,0,0|2,0,0]=4 4593 B9R0.48 CN(CC=O)CCC(N)=O Amb27452718 [0,2,0,0,0,0|2,0,0]=4 4594 B9R0.48 CN(CCCl)CCC(=O)O Amb27949173 [0,2,0,0,0,0|2,0,0]=4 4595 B9R0.48 CN(CCN)CCC(=O)O Amb28382339 [0,2,0,0,0,0|2,0,0]=4 4596 B9R0.48 CN(CCO)CCC(=O)O Amb5774461 [0,2,0,0,0,0|1,0,1]=4 4597 B9R0.48 CNCC(=O)NCC(=O)O Amb19010138 [0,2,0,0,0,0|1,0,0]=3 4598 B9R0.48 CNOC(=O)CCC(=O)O Amb28126710 [0,2,0,0,0,0|0,0,0]=2 4599 B9R0.48 COCC(=O)CC=C(C)C Amb27233842 [0,2,0,0,0,0|1,0,1]=4 4600 B9R0.48 COCC(=O)CCC(=O)O Amb27797755 [0,2,0,0,0,0|0,0,0]=2 4601 B9R0.48 COCC(=O)CCC(C)C Amb28069967 [0,2,0,0,0,0|1,0,1]=4 4602 B9R0.48 COCC(=O)CCN(C)C Amb27866944 [0,2,0,0,0,0|2,0,0]=4 4603 B9R0.48 COCC(=O)COC(C)=O Amb27599018 [0,2,0,0,0,0|1,0,0]=3 4604 B9R0.48 COCC(=O)NCC(=O)O Amb1118442 [0,2,0,0,0,0|1,0,0]=3 4605 B9R0.48 COCC(=O)OCC(N)=O Amb27456203 [0,2,0,0,0,0|2,0,0]=4 4606 B9R0.48 COCC(Cl)CCC(=O)O Amb27456486 [0,2,0,0,0,0|1,0,1]=4 4607 B9R0.48 COCC(N)CCC(=O)O Amb33036364 [0,2,0,0,0,0|1,0,1]=4 4608 B9R0.48 COCC(O)CCC(=O)O Amb33036250 [0,2,0,0,0,0|0,0,2]=4 4609 B9R0.48 CONC(=O)CCC(=O)O Amb27839045 [0,2,0,0,0,0|0,0,0]=2 4610 B9R0.48 CONC(=O)CCC(C)C Amb27491099 [0,2,0,0,0,0|1,0,1]=4 4611 B9R0.48 CONC(=O)CNC(C)=O Amb27771053 [0,2,0,0,0,0|1,0,0]=3 4612 B9R0.48 CONC(=O)\C=C/C(=O)O Amb27855758 [0,2,0,0,0,0|0,0,2]=4 4613 B9R0.48 CO\N=C(/C)CCC(C)=O Amb24583507 [0,2,0,0,0,0|1,0,0]=3 4614 B9R0.48 CSCC(=O)NCC(N)=O Amb28189006 [0,2,0,0,0,0|2,0,0]=4 4615 B9R0.48 CSCC(N)CCC(=O)O Amb33272065 [0,2,0,0,0,0|1,0,1]=4 4616 B9R0.48 CSCC(O)CCC(=O)O Amb27490998 [0,2,0,0,0,0|0,0,2]=4 4617 B9R0.48 CSSC(C)CCC(=O)O Amb27843301 [0,2,0,0,0,0|0,1,1]=4 4618 B9R0.48 C[C@@H](CC#N)CCC(=O)O Amb27950078 [0,2,0,0,0,0|1,0,1]=4 4619 B9R0.48 C[C@@H](CCO)CCC(=O)O Amb28250798 [0,2,0,0,0,0|0,0,2]=4 4620 B9R0.48 C\C(=C/CO)CCC(=O)O Amb27630663 [0,2,0,0,0,0|0,0,1]=3 4621 B9R0.48 C\C=C/[C@@H](O)CCC(C)=O Amb25146706 [0,2,0,0,0,0|1,0,1]=4 4622 B9R0.48 C\C=C\C(=O)NCC(=O)O Amb9719598 [0,2,0,0,0,0|1,0,0]=3 4623 B9R0.48 C\C=C\C(=O)OCC(C)=O Amb26627032 [0,2,0,0,0,0|2,0,0]=4 4624 B9R0.48 C\C=C\C(=O)SCC(=O)O Amb27400187 [0,2,0,0,0,0|1,0,0]=3 4625 B9R0.48 C\C=C\C(O)CCC(C)=O Amb25142677 [0,2,0,0,0,0|1,0,1]=4 4626 B9R0.48 C\C=N\C(=O)CCC(=O)O Amb27217285 [0,2,0,0,0,0|0,0,0]=2 4627 B9R0.48 N#CCC(=O)CCC(=O)O Amb24053663 [0,2,0,0,0,0|0,0,0]=2 4628 B9R0.48 N#CCC(=O)NCC(N)=O Amb6270334 [0,2,0,0,0,0|2,0,0]=4 4629 B9R0.48 N#CCS(=O)CCC(N)=O Amb27655959 [0,2,0,0,0,0|2,0,0]=4 4630 B9R0.48 N#C\C=C(/N)CCC(=O)O Amb24053667 [0,2,0,0,0,0|1,0,1]=4 4631 B9R0.48 NC(CCF)CCC(=O)O Amb33480872 [0,2,0,0,0,0|1,0,1]=4 4632 B9R0.48 NCCC(=O)NCC(=O)O Amb28555431 [0,2,0,0,0,0|1,0,0]=3 4633 B9R0.48 NCCC(=O)NCC(=O)O Amb4035945 [0,2,0,0,0,0|1,0,0]=3 4634 B9R0.48 NCCC(N)CCC(=O)O Amb27390542 [0,2,0,0,0,0|1,0,1]=4 4635 B9R0.48 NCNC(=O)CCC(=O)O Amb27753445 [0,2,0,0,0,0|0,0,0]=2 4636 B9R0.48 N[C@H](CCS)CCC(=O)O Amb27857300 [0,2,0,0,0,0|1,0,1]=4 4637 B9R0.48 O=C(O)CCC(=O)NCO Amb28132582 [0,2,0,0,0,0|0,0,0]=2 4638 B9R0.48 O=C(O)CCC(O)CCO Amb28121295 [0,2,0,0,0,0|0,0,2]=4 4639 B9R0.48 O=C(O)CNC(=O)C#CBr Amb27867573 [0,2,0,0,0,0|1,0,1]=4 4640 B9R0.48 O=C(O)\C=C\C(=O)NCO Amb28346249 [0,2,0,0,0,0|0,0,2]=4 4641 B9R0.48 O=CCC(=O)CCC(=O)O Amb18644074 [0,2,0,0,0,0|0,0,0]=2 4642 B9R0.48 [N-]=[N+]=NC(=O)CCC(N)=O Amb24477439 [0,2,0,0,0,0|2,0,0]=4 4643 B9R0.64 C#CC(C)(O)CCC(=O)O Amb27168591 [0,2,0,0,0,0|0,0,2]=4 4644 B9R0.64 C#CC(C)(O)CCC(C)=O Amb27954164 [0,2,0,0,0,0|1,0,1]=4 4645 B9R0.64 C=CC(C)(C)CCC(=O)O Amb28429810 [0,2,0,0,0,0|1,0,1]=4 4646 B9R0.64 C=CS(=O)(=O)CCC(=O)O Amb27201337 [0,2,0,0,0,0|1,0,1]=4 4647 B9R0.64 CC(=O)CCC(C)(C)C=O Amb18643910 [0,2,0,0,0,0|1,0,1]=4 4648 B9R0.64 CC(=O)CCC(C)(C)CO Amb33200191 [0,2,0,0,0,0|1,0,1]=4 4649 B9R0.64 CC(=O)CCS(=O)(=O)CF Amb27793848 [0,2,0,0,0,0|1,0,1]=4 4650 B9R0.64 CC(=O)NCP(=O)(O)CN Amb28367174 [0,2,0,0,0,0|2,0,0]=4 4651 B9R0.64 CC(C)(C#N)CCC(=O)O Amb26858929 [0,2,0,0,0,0|1,0,1]=4 4652 B9R0.64 CC(C)(C=O)CCC(=O)O Amb18644118 [0,2,0,0,0,0|0,0,1]=3 4653 B9R0.64 CC(C)(C=O)CCC(N)=O Amb27812357 [0,2,0,0,0,0|1,0,1]=4 4654 B9R0.64 CC(C)(CN)CCC(=O)O Amb27790470 [0,2,0,0,0,0|1,0,1]=4 4655 B9R0.64 CC(C)(CO)CCC(=O)O Amb27173192 [0,2,0,0,0,0|0,0,2]=4 4656 B9R0.64 CC(O)(C#N)CCC(=O)O Amb28050165 [0,2,0,0,0,0|0,0,2]=4 4657 B9R0.64 CCC(C)(C)CCC(=O)O Amb18644164 [0,2,0,0,0,0|1,0,1]=4 4658 B9R0.64 CCC(C)(N)CCC(=O)O Amb33036311 [0,2,0,0,0,0|1,0,1]=4 4659 B9R0.64 CCC(C)(O)CCC(=O)O Amb25317242 [0,2,0,0,0,0|0,0,2]=4 4660 B9R0.64 CCP(N)(=O)CCC(N)=O Amb27975054 [0,2,0,0,0,0|2,0,0]=4 4661 B9R0.64 CCS(=O)(=O)CCC(=O)O Amb6266853 [0,2,0,0,0,0|1,0,0]=3 4662 B9R0.64 CCS(=O)(=O)CCC(C)=O Amb28189559 [0,2,0,0,0,0|1,0,1]=4 4663 B9R0.64 CCS(=O)(=O)CCC(N)=O Amb28315921 [0,2,0,0,0,0|2,0,0]=4 4664 B9R0.64 CCS(=O)(=O)NCC(=O)O Amb1112815 [0,2,0,0,0,0|2,0,0]=4 4665 B9R0.64 CC[C@](C)(O)CCC(=O)O Amb27810635 [0,2,0,0,0,0|0,0,2]=4 4666 B9R0.64 CNS(=O)(=O)CCC(=O)O Amb6741778 [0,2,0,0,0,0|1,0,0]=3 4667 B9R0.64 CNS(=O)(=O)CCC(N)=O Amb27594358 [0,2,0,0,0,0|2,0,0]=4 4668 B9R0.64 CNS(=O)(=O)NCC(=O)O Amb25756106 [0,2,0,0,0,0|2,0,0]=4 4669 B9R0.64 COC(C)(C)CCC(=O)O Amb27835401 [0,2,0,0,0,0|0,0,2]=4 4670 B9R0.64 COC(C)(C)CCC(C)=O Amb25767114 [0,2,0,0,0,0|1,0,1]=4 4671 B9R0.64 COP(=O)(O)COC(C)=O Amb27493526 [0,2,0,0,0,0|2,0,0]=4 4672 B9R0.64 COP(=O)(O)NCC(=O)O Amb27602360 [0,2,0,0,0,0|2,0,0]=4 4673 B9R0.64 COP(=O)(S)SCC(=O)O Amb28241332 [0,2,0,0,0,0|2,0,0]=4 4674 B9R0.64 COS(=O)(=O)OCC(=O)O Amb27983681 [0,2,0,0,0,0|2,0,0]=4 4675 B9R0.64 CSC(C)(C)CCC(=O)O Amb28245393 [0,2,0,0,0,0|0,1,1]=4 4676 B9R0.64 NC(=O)CCS(=O)(=O)CCl Amb27489753 [0,2,0,0,0,0|2,0,0]=4 4677 B9R0.64 O=C(O)CCC(F)(F)CCl Amb27477848 [0,2,0,0,0,0|1,0,1]=4 4678 B9R0.64 O=C(O)CCC(F)(F)CO Amb33620699 [0,2,0,0,0,0|1,0,1]=4 4679 B9R0.64 O=C(O)CCP(=O)(O)CCl Amb27615065 [0,2,0,0,0,0|1,0,0]=3 4680 B9R0.64 O=C(O)CCS(=O)(=O)CF Amb27793811 [0,2,0,0,0,0|1,0,0]=3 4681 B9R0.64 O=C(O)CNS(=O)(=O)CBr Amb27219748 [0,2,0,0,0,0|2,0,0]=4 4682 B9R0.10 CC(=O)NC(C)P(=O)(O)O Amb27229951 [0,2,0,0,0,0|2,0,0]=4 4683 B9R0.10 CC(C)(C)C(N)CC(=O)O Amb31307616 [0,2,0,0,0,0|1,0,1]=4 4684 B9R0.10 CC(C)(C)C(N)CC(=O)O Amb8515866 [0,2,0,0,0,0|1,0,1]=4 4685 B9R0.10 CC(C)(C)C(O)CC(=O)O Amb17232006 [0,2,0,0,0,0|1,0,1]=4 4686 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O Amb19888358 [0,2,0,0,0,0|1,0,1]=4 4687 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O Amb33456414 [0,2,0,0,0,0|1,0,1]=4 4688 B9R0.10 CC(C)(C)[C@@H](O)CC(=O)O Amb24505172 [0,2,0,0,0,0|1,0,1]=4 4689 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O Amb33456294 [0,2,0,0,0,0|1,0,1]=4 4690 B9R0.10 CC(C)(C)[C@H](O)CC(=O)O Amb25889023 [0,2,0,0,0,0|1,0,1]=4 4691 B9R0.10 CC(C)(F)C(N)CC(=O)O Amb33273018 [0,2,0,0,0,0|1,0,1]=4 4692 B9R0.10 CC(C)(F)C(O)CC(=O)O Amb33272209 [0,2,0,0,0,0|1,0,1]=4 4693 B9R0.10 CC(C)(F)[C@@H](O)CC(=O)O Amb33272208 [0,2,0,0,0,0|1,0,1]=4 4694 B9R0.10 CC(C)(F)[C@H](O)CC(=O)O Amb33225482 [0,2,0,0,0,0|1,0,1]=4 4695 B9R0.10 CC(C)(S)C(N)CC(=O)O Amb28182470 [0,2,0,0,0,0|0,1,1]=4 4696 B9R0.10 CC(CC(=O)O)C(C)(C)C Amb6749223 [0,2,0,0,0,0|1,0,1]=4 4697 B9R0.10 CC(CC(=O)O)C(C)(C)F Amb27633286 [0,2,0,0,0,0|1,0,1]=4 4698 B9R0.10 CC(CC(=O)O)C(C)(C)N Amb19651352 [0,2,0,0,0,0|1,0,1]=4 4699 B9R0.10 CC(CC(=O)O)C(C)(C)O Amb27815005 [0,2,0,0,0,0|0,0,2]=4 4700 B9R0.10 CC(CC(=O)O)S(=O)(=O)O Amb27634850 [0,2,0,0,0,0|2,0,0]=4 4701 B9R0.10 CC(F)(F)C(N)CC(=O)O Amb32810091 [0,2,0,0,0,0|1,0,1]=4 4702 B9R0.10 CC(F)(F)C(O)CC(=O)O Amb32809827 [0,2,0,0,0,0|1,0,1]=4 4703 B9R0.10 CC(F)(F)[C@@H](O)CC(=O)O Amb33482321 [0,2,0,0,0,0|1,0,1]=4 4704 B9R0.10 CC(F)(F)[C@H](O)CC(=O)O Amb32809834 [0,2,0,0,0,0|1,0,1]=4 4705 B9R0.10 CN(CC(=O)O)S(C)(=N)=O Amb35695561 [0,2,0,0,0,0|2,0,0]=4 4706 B9R0.10 CN(CC(=O)O)S(C)(=O)=O Amb1111612 [0,2,0,0,0,0|2,0,0]=4 4707 B9R0.10 CP(=O)(O)C(N)CC(=O)O Amb27831332 [0,2,0,0,0,0|1,0,0]=3 4708 B9R0.10 CP(=O)(O)C(N)CC(N)=O Amb27615069 [0,2,0,0,0,0|2,0,0]=4 4709 B9R0.10 C[C@@H](CC(=O)O)C(C)(C)C Amb28050110 [0,2,0,0,0,0|1,0,1]=4 4710 B9R0.10 C[C@H](CC(=O)O)P(=O)(O)O Amb27645396 [0,2,0,0,0,0|2,0,0]=4 4711 B9R0.11 C=C(Br)CC(C)(C)C(=O)O Amb25887722 [0,2,0,0,0,0|1,0,1]=4 4712 B9R0.11 C=C(C)C(C)(C)CC(=O)O Amb25703730 [0,2,0,0,0,0|1,0,0]=3 4713 B9R0.11 C=C(C)C(C)(N)CC(=O)O Amb22641962 [0,2,0,0,0,0|1,0,0]=3 4714 B9R0.11 C=C(C)C(C)(N)CC(=O)O Amb31307620 [0,2,0,0,0,0|1,0,0]=3 4715 B9R0.11 C=C(C)C(F)(F)CC(=O)O Amb32810021 [0,2,0,0,0,0|1,0,0]=3 4716 B9R0.11 C=C(C)CC(C)(C)C(=O)O Amb27619182 [0,2,0,0,0,0|1,0,0]=3 4717 B9R0.11 C=C(C)CC(C)(N)C(=O)O Amb27838051 [0,2,0,0,0,0|1,0,0]=3 4718 B9R0.11 C=C(C)CC(C)(O)C(=O)O Amb24763776 [0,2,0,0,0,0|1,0,0]=3 4719 B9R0.11 C=C(C)CC(C)(O)C(C)=O Amb27800763 [0,2,0,0,0,0|2,0,0]=4 4720 B9R0.11 C=C(C)CC(F)(F)C(=O)O Amb26356276 [0,2,0,0,0,0|1,0,0]=3 4721 B9R0.11 C=C(C)C[C@](C)(O)C(=O)O Amb27618953 [0,2,0,0,0,0|1,0,0]=3 4722 B9R0.11 C=C(F)C[C@](C)(N)C(=O)O Amb27440834 [0,2,0,0,0,0|1,0,1]=4 4723 B9R0.11 CC(=O)C(C)(C)CC(=O)O Amb594714 [0,2,0,0,0,0|0,0,0]=2 4724 B9R0.11 CC(=O)C(C)(C)CC(N)=O Amb26055921 [0,2,0,0,0,0|1,0,0]=3 4725 B9R0.11 CC(=O)C(C)(C)OC(N)=O Amb27215760 [0,2,0,0,0,0|2,0,0]=4 4726 B9R0.11 CC(=O)CC(C)(C)C(=O)O Amb18644092 [0,2,0,0,0,0|0,0,0]=2 4727 B9R0.11 CC(=O)CC(C)(C)C(=O)S Amb28201149 [0,2,0,0,0,0|0,1,0]=3 4728 B9R0.11 CC(=O)CC(C)(C)C(=S)Cl Amb28350462 [0,2,0,0,0,0|1,1,0]=4 4729 B9R0.11 CC(=O)CC(C)(C)[N+](=O)[O-] Amb25286951 [0,2,0,0,0,0|1,0,1]=4 4730 B9R0.11 CC(=O)CC(C)(S)C(=O)O Amb27984551 [0,2,0,0,0,0|0,0,0]=2 4731 B9R0.11 CC(=O)C[C@](C)(O)C(=O)O Amb27170683 [0,2,0,0,0,0|0,0,0]=2 4732 B9R0.11 CC(=O)NC(C)(C)C(=O)O Amb13952726 [0,2,0,0,0,0|1,0,0]=3 4733 B9R0.11 CC(=O)NC(C)(C)C(C)=O Amb27798335 [0,2,0,0,0,0|2,0,0]=4 4734 B9R0.11 CC(=O)NC(C)(N)C(=O)O Amb27881127 [0,2,0,0,0,0|1,0,0]=3 4735 B9R0.11 CC(=O)OC(C)(C)C(=O)Br Amb8384982 [0,2,0,0,0,0|2,0,0]=4 4736 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl Amb3939171 [0,2,0,0,0,0|2,0,0]=4 4737 B9R0.11 CC(=O)OC(C)(C)C(=O)O Amb18644243 [0,2,0,0,0,0|1,0,0]=3 4738 B9R0.11 CC(=O)OC(C)(C)C(C)=O Amb8394371 [0,2,0,0,0,0|2,0,0]=4 4739 B9R0.11 CC(=O)SC(C)(C)C(=O)O Amb17607677 [0,2,0,0,0,0|1,0,0]=3 4740 B9R0.11 CC(=O)SC(F)(F)C(=O)O Amb27252817 [0,2,0,0,0,0|1,0,0]=3 4741 B9R0.11 CC(C)(CC(=O)O)C(=O)Cl Amb27449457 [0,2,0,0,0,0|1,0,0]=3 4742 B9R0.11 CC(C)(CC(=O)O)C(=O)O Amb9787793 [0,2,0,0,0,0|1,0,0]=3 4743 B9R0.11 CC(C)(CC(=O)O)C(N)=S Amb17466449 [0,2,0,0,0,0|1,1,0]=4 4744 B9R0.11 CC(C)(CC(N)=S)C(=O)O Amb27614963 [0,2,0,0,0,0|1,1,0]=4 4745 B9R0.11 CC(C)(NC(N)=O)C(=O)O Amb9825347 [0,2,0,0,0,0|2,0,0]=4 4746 B9R0.11 CC(C)=CC(C)(C)C(=O)O Amb27162610 [0,2,0,0,0,0|1,0,1]=4 4747 B9R0.11 CC(C)C(C)(C)CC(=O)O Amb18124695 [0,2,0,0,0,0|1,0,1]=4 4748 B9R0.11 CC(C)C(C)(N)CC(=O)O Amb25934755 [0,2,0,0,0,0|1,0,1]=4 4749 B9R0.11 CC(C)C(C)(O)CC(=O)O Amb18991699 [0,2,0,0,0,0|1,0,1]=4 4750 B9R0.11 CC(C)C(F)(F)CC(=O)O Amb26991653 [0,2,0,0,0,0|1,0,1]=4 4751 B9R0.11 CC(C)CC(C)(C)C(=O)O Amb10843993 [0,2,0,0,0,0|1,0,1]=4 4752 B9R0.11 CC(C)CC(C)(F)C(=O)O Amb25997944 [0,2,0,0,0,0|1,0,1]=4 4753 B9R0.11 CC(C)CC(C)(N)C(=O)O Amb4134832 [0,2,0,0,0,0|1,0,1]=4 4754 B9R0.11 CC(C)CC(C)(O)C(=O)O Amb18523766 [0,2,0,0,0,0|1,0,1]=4 4755 B9R0.11 CC(C)CC(F)(F)C(=O)O Amb25773701 [0,2,0,0,0,0|1,0,1]=4 4756 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O Amb8630501 [0,2,0,0,0,0|1,0,1]=4 4757 B9R0.11 CC(C)C[C@](C)(N)C(=O)O Amb10066904 [0,2,0,0,0,0|1,0,1]=4 4758 B9R0.11 CC(C)[C@@](C)(N)CC(=O)O Amb27185746 [0,2,0,0,0,0|1,0,1]=4 4759 B9R0.11 CC(C)[C@](C)(N)CC(=O)O Amb28346262 [0,2,0,0,0,0|1,0,1]=4 4760 B9R0.11 CC(C)[C@](C)(O)CC(=O)O Amb27810826 [0,2,0,0,0,0|1,0,1]=4 4761 B9R0.11 CC(Cl)(CC(=O)O)C(=O)O Amb18126463 [0,2,0,0,0,0|1,0,0]=3 4762 B9R0.11 CC(Cl)(CS(=O)O)C(=O)O Amb27781534 [0,2,0,0,0,0|2,0,0]=4 4763 B9R0.11 CC(N)(CC(=O)O)C(=O)O Amb10807406 [0,2,0,0,0,0|1,0,0]=3 4764 B9R0.11 CC(N)(CC(=O)O)[PH](=O)O Amb25701546 [0,2,0,0,0,0|2,0,0]=4 4765 B9R0.11 CC(N)(CC(N)=O)C(=O)O Amb28131361 [0,2,0,0,0,0|1,0,0]=3 4766 B9R0.11 CC(N)C(C)(C)CC(=O)O Amb26440704 [0,2,0,0,0,0|1,0,1]=4 4767 B9R0.11 CC(N)C(C)(N)CC(=O)O Amb33255266 [0,2,0,0,0,0|1,0,1]=4 4768 B9R0.11 CC(N)CC(C)(C)C(=O)O Amb27881524 [0,2,0,0,0,0|1,0,1]=4 4769 B9R0.11 CC(O)(CC(=O)O)C(=O)O Amb6366309 [0,2,0,0,0,0|1,0,0]=3 4770 B9R0.11 CC(O)CC(C)(N)C(=O)O Amb28289237 [0,2,0,0,0,0|0,0,2]=4 4771 B9R0.11 CC(S)CC(C)(C)C(=O)O Amb35675430 [0,2,0,0,0,0|0,1,1]=4 4772 B9R0.11 CN(C)C(C)(C)CC(=O)O Amb27839164 [0,2,0,0,0,0|2,0,0]=4 4773 B9R0.11 CN(C)CC(C)(C)C(=O)O Amb17334247 [0,2,0,0,0,0|2,0,0]=4 4774 B9R0.11 CN(C)CC(C)(C)C(=O)O Amb33527437 [0,2,0,0,0,0|2,0,0]=4 4775 B9R0.11 CN(C)CC(C)(N)C(=O)O Amb18294465 [0,2,0,0,0,0|2,0,0]=4 4776 B9R0.11 CN(C)CC(F)(F)C(=O)O Amb25857752 [0,2,0,0,0,0|2,0,0]=4 4777 B9R0.11 CN(O)C(C)(C)CC(=O)O Amb30025601 [0,2,0,0,0,0|1,0,1]=4 4778 B9R0.11 CN(O)CC(C)(O)C(=O)O Amb28349124 [0,2,0,0,0,0|1,0,1]=4 4779 B9R0.11 CN(O)CC(F)(F)C(=O)O Amb33169729 [0,2,0,0,0,0|1,0,1]=4 4780 B9R0.11 CS(=O)C(C)(C)CC(=O)O Amb28128345 [0,2,0,0,0,0|1,0,0]=3 4781 B9R0.11 CS(=O)CC(C)(C)C(=O)O Amb28049647 [0,2,0,0,0,0|1,0,0]=3 4782 B9R0.11 CS(=O)CC(C)(O)C(=O)O Amb27984742 [0,2,0,0,0,0|1,0,0]=3 4783 B9R0.11 CS(=O)CC(F)(F)C(=O)O Amb33169820 [0,2,0,0,0,0|1,0,0]=3 4784 B9R0.11 C[C@@](N)(CC(N)=O)C(=O)O Amb22225025 [0,2,0,0,0,0|1,0,0]=3 4785 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O Amb10601663 [0,2,0,0,0,0|1,0,0]=3 4786 B9R0.11 C[C@](N)(CC(N)=O)C(=O)O Amb27195940 [0,2,0,0,0,0|1,0,0]=3 4787 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O Amb26398856 [0,2,0,0,0,0|1,0,0]=3 4788 B9R0.11 NC(=O)CC(N)(O)C(=O)O Amb27794741 [0,2,0,0,0,0|1,0,0]=3 4789 B9R0.11 NC(=O)C[C@@](N)(O)C(=O)O Amb28348701 [0,2,0,0,0,0|1,0,0]=3 4790 B9R0.11 O=C(O)CC(Cl)(Cl)C(=O)O Amb27971430 [0,2,0,0,0,0|1,0,0]=3 4791 B9R0.11 O=C(O)CC(F)(F)C(=O)O Amb2732193 [0,2,0,0,0,0|1,0,0]=3 4792 B9R0.39 C#CC(CC(=O)O)C(C)C Amb27408324 [0,2,0,0,0,0|1,0,1]=4 4793 B9R0.39 C#CC(NC(C)=O)C(=O)O Amb27411184 [0,2,0,0,0,0|1,0,0]=3 4794 B9R0.39 C#C[C@@H](CC(=O)O)C(C)C Amb27977044 [0,2,0,0,0,0|1,0,1]=4 4795 B9R0.39 C#C[C@@H](NC(C)=O)C(=O)O Amb27393972 [0,2,0,0,0,0|1,0,0]=3 4796 B9R0.39 C#C[C@H](CC(=O)O)C(C)C Amb27253902 [0,2,0,0,0,0|1,0,1]=4 4797 B9R0.39 C=C(C)C(CC)CC(=O)O Amb27655611 [0,2,0,0,0,0|1,0,0]=3 4798 B9R0.39 C=C(C)C(CN)CC(=O)O Amb33199956 [0,2,0,0,0,0|1,0,0]=3 4799 B9R0.39 C=C(C)CC(C#N)C(=O)O Amb35741470 [0,2,0,0,0,0|1,0,0]=3 4800 B9R0.39 C=C(C)CC(CC)C(C)=O Amb28060802 [0,2,0,0,0,0|2,0,0]=4 4801 B9R0.39 C=C(C)CC(OC)C(=O)O Amb26386702 [0,2,0,0,0,0|1,0,0]=3 4802 B9R0.39 C=C(C)C[C@@H](CC)C(=O)O Amb27785162 [0,2,0,0,0,0|1,0,0]=3 4803 B9R0.39 C=CC(CC(=O)O)C(C)C Amb18643903 [0,2,0,0,0,0|1,0,1]=4 4804 B9R0.39 C=C[C@@H](CC(=O)O)C(C)C Amb27881786 [0,2,0,0,0,0|1,0,1]=4 4805 B9R0.39 C=C[C@@H](NC(C)=O)C(=O)O Amb28050121 [0,2,0,0,0,0|1,0,0]=3 4806 B9R0.39 C=C[C@H](CC(=O)O)C(C)C Amb27962891 [0,2,0,0,0,0|1,0,1]=4 4807 B9R0.39 CC(=N)N[C@@H](CO)C(=O)O Amb27192588 [0,2,0,0,0,0|2,0,0]=4 4808 B9R0.39 CC(=O)C(CCl)OC(=O)Cl Amb28118995 [0,2,0,0,0,0|2,0,0]=4 4809 B9R0.39 CC(=O)CC(C=O)C(=O)O Amb28048038 [0,2,0,0,0,0|0,0,0]=2 4810 B9R0.39 CC(=O)C\C(=N\O)C(C)=O Amb27256458 [0,2,0,0,0,0|1,0,1]=4 4811 B9R0.39 CC(=O)N(CC(=O)O)N=O Amb27391141 [0,2,0,0,0,0|1,0,0]=3 4812 B9R0.39 CC(=O)NC(C#N)C(N)=O Amb1046298 [0,2,0,0,0,0|2,0,0]=4 4813 B9R0.39 CC(=O)NC(C=O)C(N)=O Amb27240214 [0,2,0,0,0,0|2,0,0]=4 4814 B9R0.39 CC(=O)NC(CCl)C(=O)O Amb27494110 [0,2,0,0,0,0|1,0,0]=3 4815 B9R0.39 CC(=O)NC(CN)C(=O)O Amb28128874 [0,2,0,0,0,0|1,0,0]=3 4816 B9R0.39 CC(=O)NC(CO)C(=O)O Amb1115493 [0,2,0,0,0,0|1,0,0]=3 4817 B9R0.39 CC(=O)NC(CO)C(N)=O Amb4018749 [0,2,0,0,0,0|2,0,0]=4 4818 B9R0.39 CC(=O)NC(CS)C(=O)O Amb1112748 [0,2,0,0,0,0|1,0,0]=3 4819 B9R0.39 CC(=O)NC(CS)C(N)=O Amb24482241 [0,2,0,0,0,0|2,0,0]=4 4820 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O Amb22746917 [0,2,0,0,0,0|1,0,0]=3 4821 B9R0.39 CC(=O)N[C@@H](CO)C(N)=O Amb28461160 [0,2,0,0,0,0|2,0,0]=4 4822 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Amb2684240 [0,2,0,0,0,0|1,0,0]=3 4823 B9R0.39 CC(=O)N[C@@H](CS)C(N)=O Amb24183864 [0,2,0,0,0,0|2,0,0]=4 4824 B9R0.39 CC(=O)N[C@H](CCl)C(=O)O Amb27171775 [0,2,0,0,0,0|1,0,0]=3 4825 B9R0.39 CC(=O)N[C@H](CS)C(=O)O Amb25887589 [0,2,0,0,0,0|1,0,0]=3 4826 B9R0.39 CC(=O)N[C@H](CS)C(N)=O Amb27232938 [0,2,0,0,0,0|2,0,0]=4 4827 B9R0.39 CC(=O)N\C(=C\Br)C(=O)O Amb27451991 [0,2,0,0,0,0|1,0,1]=4 4828 B9R0.39 CC(=O)OC(C=O)C(C)=O Amb27798281 [0,2,0,0,0,0|2,0,0]=4 4829 B9R0.39 CC(=O)OC(CCl)C(=O)O Amb27796012 [0,2,0,0,0,0|1,0,0]=3 4830 B9R0.39 CC(=O)O[C@@H](CN)C(=O)O Amb27874054 [0,2,0,0,0,0|1,0,0]=3 4831 B9R0.39 CC(C)C(C#N)CC(=O)O Amb25818234 [0,2,0,0,0,0|1,0,1]=4 4832 B9R0.39 CC(C)C(CN)CC(=O)O Amb26910759 [0,2,0,0,0,0|1,0,1]=4 4833 B9R0.39 CC(C)CC(C#N)C(=O)O Amb23558965 [0,2,0,0,0,0|1,0,1]=4 4834 B9R0.39 CC(C)CC(CN)C(=O)O Amb19021764 [0,2,0,0,0,0|1,0,1]=4 4835 B9R0.39 CC(C)CC(CN)C(=O)O Amb28555451 [0,2,0,0,0,0|1,0,1]=4 4836 B9R0.39 CC(C)CC(CO)C(=O)O Amb18124780 [0,2,0,0,0,0|1,0,1]=4 4837 B9R0.39 CC(C)CC(N=O)C(=O)O Amb27461396 [0,2,0,0,0,0|1,0,1]=4 4838 B9R0.39 CC(C)CC(NCl)C(=O)O Amb27401848 [0,2,0,0,0,0|1,0,1]=4 4839 B9R0.39 CC(C)CC(ON)C(=O)O Amb18644321 [0,2,0,0,0,0|1,0,1]=4 4840 B9R0.39 CC(C)CC(ON)C(=O)O Amb33484371 [0,2,0,0,0,0|1,0,1]=4 4841 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Amb22756732 [0,2,0,0,0,0|1,0,1]=4 4842 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Amb22756740 [0,2,0,0,0,0|1,0,1]=4 4843 B9R0.39 CC(C)C[C@@H](NN)C(=O)O Amb27424998 [0,2,0,0,0,0|1,0,1]=4 4844 B9R0.39 CC(C)C[C@@H](ON)C(=O)O Amb27975779 [0,2,0,0,0,0|1,0,1]=4 4845 B9R0.39 CC(C)C[C@H](CN)C(=O)O Amb26390781 [0,2,0,0,0,0|1,0,1]=4 4846 B9R0.39 CC(C)C[C@H](CN)C(=O)O Amb32620226 [0,2,0,0,0,0|1,0,1]=4 4847 B9R0.39 CC(C)C[C@H](NN)C(=O)O Amb27488207 [0,2,0,0,0,0|1,0,1]=4 4848 B9R0.39 CC(C)[C@@H](C#N)CC(=O)O Amb27473398 [0,2,0,0,0,0|1,0,1]=4 4849 B9R0.39 CC(C)[C@H](C#N)CC(=O)O Amb28184580 [0,2,0,0,0,0|1,0,1]=4 4850 B9R0.39 CC(Cl)CC(CN)C(=O)O Amb28396430 [0,2,0,0,0,0|1,0,1]=4 4851 B9R0.39 CC(O)CC(C#N)C(=O)O Amb35741473 [0,2,0,0,0,0|0,0,2]=4 4852 B9R0.39 CCC(CC(=O)Cl)C(=O)Cl Amb26921552 [0,2,0,0,0,0|2,0,0]=4 4853 B9R0.39 CCC(CC(=O)O)C(=O)O Amb10071696 [0,2,0,0,0,0|1,0,0]=3 4854 B9R0.39 CCC(CC(=O)O)C(C)C Amb33534084 [0,2,0,0,0,0|1,0,1]=4 4855 B9R0.39 CCC(CC(=O)O)C(C)O Amb18831453 [0,2,0,0,0,0|0,0,2]=4 4856 B9R0.39 CCC(CC(C)=O)C(=O)O Amb18644109 [0,2,0,0,0,0|0,0,0]=2 4857 B9R0.39 CCC(CC(C)=O)C(C)=O Amb27403023 [0,2,0,0,0,0|1,0,0]=3 4858 B9R0.39 CCC(CC(C)C)C(=O)O Amb19014184 [0,2,0,0,0,0|1,0,1]=4 4859 B9R0.39 CCC(CC(C)O)C(=O)O Amb27254121 [0,2,0,0,0,0|0,0,2]=4 4860 B9R0.39 CCC(NC(C)=O)C(=O)O Amb2099651 [0,2,0,0,0,0|1,0,0]=3 4861 B9R0.39 CCC(NC(C)=O)C(C)=O Amb28348733 [0,2,0,0,0,0|2,0,0]=4 4862 B9R0.39 CCC(NC(N)=O)C(=O)O Amb435947 [0,2,0,0,0,0|2,0,0]=4 4863 B9R0.39 CCC(OC(C)=O)C(=O)Cl Amb28059233 [0,2,0,0,0,0|2,0,0]=4 4864 B9R0.39 CCC(OC(C)=O)C(N)=O Amb25274332 [0,2,0,0,0,0|2,0,0]=4 4865 B9R0.39 CCC(OC(N)=O)C(=O)O Amb28283574 [0,2,0,0,0,0|2,0,0]=4 4866 B9R0.39 CCN(CC(=O)O)C(C)=O Amb17399887 [0,2,0,0,0,0|1,0,0]=3 4867 B9R0.39 CCN(CC(=O)O)C(N)=O Amb18999255 [0,2,0,0,0,0|2,0,0]=4 4868 B9R0.39 CC[C@@H](CC(=O)O)C(=O)O Amb27830576 [0,2,0,0,0,0|1,0,0]=3 4869 B9R0.39 CC[C@@H](CC(C)C)C(=O)O Amb28397993 [0,2,0,0,0,0|1,0,1]=4 4870 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O Amb3941467 [0,2,0,0,0,0|1,0,0]=3 4871 B9R0.39 CC[C@H](CC(=O)O)C(=O)O Amb24643194 [0,2,0,0,0,0|1,0,0]=3 4872 B9R0.39 CC[C@H](CC(=O)O)C(C)C Amb25989910 [0,2,0,0,0,0|1,0,1]=4 4873 B9R0.39 CC[C@H](NC(C)=O)C(=O)O Amb3990111 [0,2,0,0,0,0|1,0,0]=3 4874 B9R0.39 CC[C@H](OC(C)=O)C(=O)O Amb27948340 [0,2,0,0,0,0|1,0,0]=3 4875 B9R0.39 CC\C(=C/C(=O)O)C(C)=O Amb26391990 [0,2,0,0,0,0|0,0,2]=4 4876 B9R0.39 CN(C)C(CO)CC(=O)O Amb18202308 [0,2,0,0,0,0|2,0,0]=4 4877 B9R0.39 CN(C)CC(C#N)C(=O)O Amb26639275 [0,2,0,0,0,0|2,0,0]=4 4878 B9R0.39 CNC(CC(=O)O)C(=O)O Amb1905634 [0,2,0,0,0,0|1,0,0]=3 4879 B9R0.39 CNC(CC(=O)O)C(=O)O Amb30867747 [0,2,0,0,0,0|1,0,0]=3 4880 B9R0.39 CNC(CC(=O)O)C(C)=O Amb18611382 [0,2,0,0,0,0|0,0,0]=2 4881 B9R0.39 CNC(CC(=O)O)C(C)C Amb27209417 [0,2,0,0,0,0|1,0,1]=4 4882 B9R0.39 CNC(CC(C)C)C(=O)O Amb22274694 [0,2,0,0,0,0|1,0,1]=4 4883 B9R0.39 CNC(CC(C)C)C(=O)O Amb9283589 [0,2,0,0,0,0|1,0,1]=4 4884 B9R0.39 CNC(CC(N)=O)C(=O)O Amb18644255 [0,2,0,0,0,0|1,0,0]=3 4885 B9R0.39 CNC(CN(C)C)C(=O)O Amb28388875 [0,2,0,0,0,0|2,0,0]=4 4886 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O Amb3499450 [0,2,0,0,0,0|1,0,0]=3 4887 B9R0.39 CN[C@@H](CC(C)C)C(=O)O Amb16183858 [0,2,0,0,0,0|1,0,1]=4 4888 B9R0.39 CN[C@@H](CC(C)C)C(=O)O Amb2779901 [0,2,0,0,0,0|1,0,1]=4 4889 B9R0.39 CN[C@H](CC(=O)O)C(=O)O Amb8515692 [0,2,0,0,0,0|1,0,0]=3 4890 B9R0.39 CN[C@H](CC(C)C)C(=O)O Amb10842218 [0,2,0,0,0,0|1,0,1]=4 4891 B9R0.39 CN[C@H](CC(C)C)C(=O)O Amb22745995 [0,2,0,0,0,0|1,0,1]=4 4892 B9R0.39 CN[C@H](CC(N)=O)C(=O)O Amb28049962 [0,2,0,0,0,0|1,0,0]=3 4893 B9R0.39 COC(C=C(C)C)C(=O)O Amb20621506 [0,2,0,0,0,0|1,0,1]=4 4894 B9R0.39 COC(CC(=O)O)C(C)=O Amb27952022 [0,2,0,0,0,0|0,0,0]=2 4895 B9R0.39 COC(CC(=O)O)C(N)=O Amb23536075 [0,2,0,0,0,0|1,0,0]=3 4896 B9R0.39 COC(CC(C)C)C(=O)O Amb26656466 [0,2,0,0,0,0|1,0,1]=4 4897 B9R0.39 COC(CN(C)C)C(=O)O Amb27196900 [0,2,0,0,0,0|2,0,0]=4 4898 B9R0.39 CO[C@@H](CC(C)C)C(=O)O Amb28126876 [0,2,0,0,0,0|1,0,1]=4 4899 B9R0.39 CO[C@H](CC(=O)O)C(=O)O Amb27849552 [0,2,0,0,0,0|1,0,0]=3 4900 B9R0.39 CO\C(=C/C(=O)O)C(C)=O Amb28345759 [0,2,0,0,0,0|0,0,2]=4 4901 B9R0.39 CS(=O)NC(CO)C(=O)O Amb28193924 [0,2,0,0,0,0|2,0,0]=4 4902 B9R0.39 CSC(CC(=O)O)C(=O)O Amb18646024 [0,2,0,0,0,0|1,0,0]=3 4903 B9R0.39 CSC(CC(C)C)C(=O)O Amb27658945 [0,2,0,0,0,0|1,0,1]=4 4904 B9R0.39 C[NH2+]C(CC(=O)[O-])C(=O)[O-] Amb33512929 [0,2,0,0,0,0|1,0,1]=4 4905 B9R0.39 C\C(Cl)=C/C(ON)C(=O)O Amb27252200 [0,2,0,0,0,0|1,0,1]=4 4906 B9R0.39 C\C=C(/CC(=O)O)C(=O)O Amb8631758 [0,2,0,0,0,0|1,0,1]=4 4907 B9R0.39 C\C=C(/OC(C)=O)C(=O)O Amb27759731 [0,2,0,0,0,0|1,0,1]=4 4908 B9R0.39 C\C=C(\CC(=O)O)C(=O)O Amb25292254 [0,2,0,0,0,0|1,0,1]=4 4909 B9R0.39 C\C=C(\NC(C)=O)C(=O)O Amb27781271 [0,2,0,0,0,0|1,0,1]=4 4910 B9R0.39 N=CC(CC(=O)O)C(=O)O Amb27653604 [0,2,0,0,0,0|1,0,0]=3 4911 B9R0.39 NC(=O)CC(CO)C(=O)O Amb28411495 [0,2,0,0,0,0|1,0,0]=3 4912 B9R0.39 NC(=O)CC(NO)C(=O)O Amb27168203 [0,2,0,0,0,0|1,0,0]=3 4913 B9R0.39 NC(=O)C[C@H](NO)C(=O)O Amb28364297 [0,2,0,0,0,0|1,0,0]=3 4914 B9R0.39 NC(=O)N(CC(=O)O)N=O Amb25683110 [0,2,0,0,0,0|2,0,0]=4 4915 B9R0.39 NC(=O)NC(CF)C(=O)O Amb28187932 [0,2,0,0,0,0|2,0,0]=4 4916 B9R0.39 NC(=O)NC(CO)C(=O)O Amb1055147 [0,2,0,0,0,0|2,0,0]=4 4917 B9R0.39 NC(=O)NC(CS)C(=O)O Amb1119403 [0,2,0,0,0,0|2,0,0]=4 4918 B9R0.39 NC(=O)N[C@@H](CF)C(=O)O Amb26454171 [0,2,0,0,0,0|2,0,0]=4 4919 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O Amb17610484 [0,2,0,0,0,0|2,0,0]=4 4920 B9R0.39 NCC(CC(=O)O)C(=O)O Amb22546423 [0,2,0,0,0,0|1,0,0]=3 4921 B9R0.39 NCC(CC(=O)O)C(=O)O Amb24538047 [0,2,0,0,0,0|1,0,0]=3 4922 B9R0.39 NNC(CC(=O)O)C(=O)O Amb28070991 [0,2,0,0,0,0|1,0,0]=3 4923 B9R0.39 NN[C@@H](CC(=O)O)C(=O)O Amb24117193 [0,2,0,0,0,0|1,0,0]=3 4924 B9R0.39 N\C=C(\CC(=O)O)C(=O)O Amb28050321 [0,2,0,0,0,0|1,0,1]=4 4925 B9R0.39 O=C(O)CC(CBr)C(=O)O Amb22752144 [0,2,0,0,0,0|1,0,0]=3 4926 B9R0.39 O=C(O)CC(CF)C(=O)O Amb33379249 [0,2,0,0,0,0|1,0,0]=3 4927 B9R0.39 O=C(O)CC(NCl)C(=O)O Amb27953217 [0,2,0,0,0,0|1,0,0]=3 4928 B9R0.39 O=C(O)CC(NO)C(=O)O Amb24685872 [0,2,0,0,0,0|1,0,0]=3 4929 B9R0.39 O=C(O)CC(NS)C(=O)O Amb25808901 [0,2,0,0,0,0|1,0,0]=3 4930 B9R0.39 O=C(O)C[C@H](NCl)C(=O)O Amb27401859 [0,2,0,0,0,0|1,0,0]=3 4931 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24117497 [0,2,0,0,0,0|1,0,0]=3 4932 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24630025 [0,2,0,0,0,0|1,0,0]=3 4933 B9R0.39 O=C(O)C\C(=N/O)C(=O)O Amb24117074 [0,2,0,0,0,0|1,0,1]=4 4934 B9R0.39 O=C(O)C\C(=N\O)C(=O)O Amb27828721 [0,2,0,0,0,0|1,0,1]=4 4935 B9R0.57 C=C(CS(C)(=O)=O)C(=O)O Amb24433611 [0,2,0,0,0,0|1,0,1]=4 4936 B9R0.57 CC(C)(C)CC(N)C(=O)O Amb7172575 [0,2,0,0,0,0|1,0,1]=4 4937 B9R0.57 CC(C)(C)CC(N)C(=O)O Amb8385710 [0,2,0,0,0,0|1,0,1]=4 4938 B9R0.57 CC(C)(C)CC(O)C(=O)O Amb18302187 [0,2,0,0,0,0|1,0,1]=4 4939 B9R0.57 CC(C)(C)C[C@@H](Br)C(=O)O Amb28049945 [0,2,0,0,0,0|1,0,1]=4 4940 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O Amb16184025 [0,2,0,0,0,0|1,0,1]=4 4941 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O Amb6295897 [0,2,0,0,0,0|1,0,1]=4 4942 B9R0.57 CC(C)(Cl)CC(N)C(=O)O Amb28555620 [0,2,0,0,0,0|1,0,1]=4 4943 B9R0.57 CC(C)(F)CC(N)C(=O)O Amb26496047 [0,2,0,0,0,0|1,0,1]=4 4944 B9R0.57 CC(C)(F)CC(O)C(=O)O Amb33272231 [0,2,0,0,0,0|1,0,1]=4 4945 B9R0.57 CC(C)(F)C[C@@H](N)C(=O)O Amb24055873 [0,2,0,0,0,0|1,0,1]=4 4946 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O Amb26959500 [0,2,0,0,0,0|1,0,1]=4 4947 B9R0.57 CC(C)(O)CC(N)C(=O)O Amb18644326 [0,2,0,0,0,0|0,0,2]=4 4948 B9R0.57 CC(C)(O)CC(O)C(=O)O Amb27953570 [0,2,0,0,0,0|0,0,2]=4 4949 B9R0.57 CC(C)(O)C[C@@H](N)C(=O)O Amb24479570 [0,2,0,0,0,0|0,0,2]=4 4950 B9R0.57 CC(C)(O)C[C@@H](O)C(=O)O Amb27254266 [0,2,0,0,0,0|0,0,2]=4 4951 B9R0.57 CC(C)(O)C[C@H](N)C(=O)O Amb25992355 [0,2,0,0,0,0|0,0,2]=4 4952 B9R0.57 CC(C)(S)CC(N)C(=O)O Amb27984144 [0,2,0,0,0,0|0,1,1]=4 4953 B9R0.57 CC(CC(C)(C)C)C(=O)O Amb18124693 [0,2,0,0,0,0|1,0,1]=4 4954 B9R0.57 CC(CC(C)(C)F)C(=O)O Amb25971880 [0,2,0,0,0,0|1,0,1]=4 4955 B9R0.57 CC(CC(C)(C)N)C(=O)O Amb22364426 [0,2,0,0,0,0|1,0,1]=4 4956 B9R0.57 CC(CC(C)(C)N)C(=O)O Amb28555536 [0,2,0,0,0,0|1,0,1]=4 4957 B9R0.57 CC(CC(C)(F)F)C(=O)O Amb33482229 [0,2,0,0,0,0|1,0,1]=4 4958 B9R0.57 CC(CP(=O)(O)O)C(=O)O Amb27878703 [0,2,0,0,0,0|2,0,0]=4 4959 B9R0.57 CC(CP(C)(C)=O)C(=O)O Amb28050894 [0,2,0,0,0,0|1,0,0]=3 4960 B9R0.57 CC(CS(C)(=O)=O)C(=O)O Amb18971622 [0,2,0,0,0,0|1,0,0]=3 4961 B9R0.57 CC(CS(N)(=O)=O)C(=O)O Amb18563379 [0,2,0,0,0,0|2,0,0]=4 4962 B9R0.57 CC(C[Si](C)(C)C)C(=O)O Amb28383938 [0,2,0,0,0,0|1,1,0]=4 4963 B9R0.57 CC(F)(F)CC(N)C(=O)O Amb26866987 [0,2,0,0,0,0|1,0,1]=4 4964 B9R0.57 CC(F)(F)CC(N)C(=O)O Amb33483896 [0,2,0,0,0,0|1,0,1]=4 4965 B9R0.57 CC(F)(F)CC(O)C(=O)O Amb26361859 [0,2,0,0,0,0|1,0,1]=4 4966 B9R0.57 CC(F)(F)C[C@@H](N)C(=O)O Amb33309023 [0,2,0,0,0,0|1,0,1]=4 4967 B9R0.57 CC(F)(F)C[C@H](N)C(=O)O Amb26573683 [0,2,0,0,0,0|1,0,1]=4 4968 B9R0.57 CC(NS(C)(=N)=O)C(=O)O Amb35680388 [0,2,0,0,0,0|2,0,0]=4 4969 B9R0.57 CC(NS(C)(=O)=O)C(=O)O Amb9705402 [0,2,0,0,0,0|2,0,0]=4 4970 B9R0.57 CP(=O)(O)CC(N)C(=O)O Amb27770381 [0,2,0,0,0,0|1,0,0]=3 4971 B9R0.57 CS(=N)(=O)CC(=O)C(=O)O Amb33070021 [0,2,0,0,0,0|1,0,1]=4 4972 B9R0.57 CS(=O)(=O)CC(Cl)C(=O)O Amb27257814 [0,2,0,0,0,0|1,0,0]=3 4973 B9R0.57 CS(=O)(=O)CC(Cl)C(N)=O Amb27403593 [0,2,0,0,0,0|2,0,0]=4 4974 B9R0.57 CS(=O)(=O)CC(N)C(=O)O Amb27983621 [0,2,0,0,0,0|1,0,0]=3 4975 B9R0.57 CS(=O)(=O)CC(N)C(=O)O Amb32753509 [0,2,0,0,0,0|1,0,0]=3 4976 B9R0.57 CS(=O)(=O)CC(N)C(N)=O Amb27961405 [0,2,0,0,0,0|2,0,0]=4 4977 B9R0.57 CS(=O)(=O)CC(O)C(=O)O Amb24398186 [0,2,0,0,0,0|1,0,0]=3 4978 B9R0.57 CS(=O)(=O)C[C@@H](N)C(=O)O Amb27831327 [0,2,0,0,0,0|1,0,0]=3 4979 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O Amb27231797 [0,2,0,0,0,0|1,0,0]=3 4980 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O Amb32683294 [0,2,0,0,0,0|1,0,0]=3 4981 B9R0.57 C[C@@H](CC(C)(C)C)C(=O)O Amb10844016 [0,2,0,0,0,0|1,0,1]=4 4982 B9R0.57 C[C@@H](CC(C)(F)F)C(=O)O Amb33744369 [0,2,0,0,0,0|1,0,1]=4 4983 B9R0.57 C[C@@H](NS(C)(=N)=O)C(=O)O Amb35680524 [0,2,0,0,0,0|2,0,0]=4 4984 B9R0.57 C[C@H](CC(C)(C)C)C(=O)O Amb10844015 [0,2,0,0,0,0|1,0,1]=4 4985 B9R0.57 C[C@H](CC(C)(F)F)C(=O)O Amb33743241 [0,2,0,0,0,0|1,0,1]=4 4986 B9R0.57 C[C@H](NS(C)(=N)=O)C(=O)O Amb29867468 [0,2,0,0,0,0|2,0,0]=4 4987 B9R0.57 C[C@H](NS(C)(=O)=O)C(=O)O Amb27649688 [0,2,0,0,0,0|2,0,0]=4 4988 B9R0.57 C[C@H](OS(C)(=O)=O)C(=O)O Amb25701707 [0,2,0,0,0,0|2,0,0]=4 4989 B9R0.57 C[Si](C)(C)CC(N)C(=O)O Amb26361043 [0,2,0,0,0,0|1,1,0]=4 4990 B9R0.57 C[Si](C)(C)C[C@@H](N)C(=O)O Amb27658975 [0,2,0,0,0,0|1,1,0]=4 4991 B9R0.57 C[Si](C)(C)C[C@H](N)C(=O)O Amb24482244 [0,2,0,0,0,0|1,1,0]=4 4992 B9R0.57 C[Si](C)(O)C[C@H](N)C(=O)O Amb27408998 [0,2,0,0,0,0|0,1,1]=4 4993 B9R0.57 NC(CP(=O)(O)O)C(=O)O Amb542762 [0,2,0,0,0,0|2,0,0]=4 4994 B9R0.57 NC(CS(=O)(=O)Cl)C(=O)O Amb28367339 [0,2,0,0,0,0|2,0,0]=4 4995 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Amb2698240 [0,2,0,0,0,0|2,0,0]=4 4996 B9R0.57 NC(CS(=O)(=O)S)C(=O)O Amb27982339 [0,2,0,0,0,0|2,0,0]=4 4997 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O Amb2719731 [0,2,0,0,0,0|2,0,0]=4 4998 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O Amb17942867 [0,2,0,0,0,0|2,0,0]=4 4999 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O Amb3940873 [0,2,0,0,0,0|2,0,0]=4 5000 B9R0.57 N[C@@H](CS(N)(=O)=O)C(=O)O Amb26342340 [0,2,0,0,0,0|2,0,0]=4 5001 B9R0.57 N[C@H](CP(=O)(O)O)C(=O)O Amb8515685 [0,2,0,0,0,0|2,0,0]=4 5002 B9R0.57 O=C(O)C(O)CP(=O)(O)O Amb27166079 [0,2,0,0,0,0|2,0,0]=4 5003 B9R0.57 O=C(O)C(O)CS(=O)(=O)O Amb20247567 [0,2,0,0,0,0|2,0,0]=4 5004 B9R0.79 C=C(C)C(C)C(C)C(=O)O Amb28042819 [0,2,0,0,0,0|1,0,0]=3 5005 B9R0.79 C=C(C)C(N)C(C)C(=O)O Amb33036349 [0,2,0,0,0,0|1,0,0]=3 5006 B9R0.79 C=C(C)C(O)C(C)C(=O)O Amb18644101 [0,2,0,0,0,0|1,0,0]=3 5007 B9R0.79 C=C(C)C(O)C(N)C(=O)O Amb33199606 [0,2,0,0,0,0|1,0,0]=3 5008 B9R0.79 C=C(C)[C@@H](C)[C@@H](C)C(=O)O Amb28050111 [0,2,0,0,0,0|1,0,0]=3 5009 B9R0.79 C=C(C)[C@@H](O)[C@@H](C)C(=O)O Amb28283987 [0,2,0,0,0,0|1,0,0]=3 5010 B9R0.79 CC(=O)C(=O)C(O)C(C)=O Amb25910745 [0,2,0,0,0,0|1,0,1]=4 5011 B9R0.79 CC(=O)C(C)C(C)C(C)=O Amb4016940 [0,2,0,0,0,0|1,0,0]=3 5012 B9R0.79 CC(=O)C(C)C(N)C(=O)O Amb18202116 [0,2,0,0,0,0|0,0,0]=2 5013 B9R0.79 CC(=O)C(C)C(N)C(N)=O Amb27613013 [0,2,0,0,0,0|1,0,0]=3 5014 B9R0.79 CC(=O)C(Cl)C(=O)C(=O)O Amb27600115 [0,2,0,0,0,0|0,0,1]=3 5015 B9R0.79 CC(=O)C(O)C(O)C(=O)O Amb25292189 [0,2,0,0,0,0|0,0,0]=2 5016 B9R0.79 CC(=O)C(O)C(O)C(C)=O Amb17593650 [0,2,0,0,0,0|1,0,0]=3 5017 B9R0.79 CC(=O)N(Cl)[C@@H](C)C(=O)O Amb28458454 [0,2,0,0,0,0|1,0,0]=3 5018 B9R0.79 CC(=O)[C@@H](C)[C@@H](O)C(=O)O Amb27661780 [0,2,0,0,0,0|0,0,0]=2 5019 B9R0.79 CC(=O)[C@@H](C)[C@H](O)C(=O)O Amb28050113 [0,2,0,0,0,0|0,0,0]=2 5020 B9R0.79 CC(=O)[C@H](C)[C@@H](C)C(C)=O Amb28202186 [0,2,0,0,0,0|1,0,0]=3 5021 B9R0.79 CC(=O)[C@H](C)[C@H](N)C(=O)O Amb27424983 [0,2,0,0,0,0|0,0,0]=2 5022 B9R0.79 CC(=S)[C@H](C)[C@H](N)C(=O)O Amb26642807 [0,2,0,0,0,0|0,1,0]=3 5023 B9R0.79 CC(C(=O)Cl)C(C)C(=O)Cl Amb22347385 [0,2,0,0,0,0|2,0,0]=4 5024 B9R0.79 CC(C(=O)O)C(Br)C(=O)O Amb2612973 [0,2,0,0,0,0|1,0,0]=3 5025 B9R0.79 CC(C(=O)O)C(C)C(=O)O Amb8513150 [0,2,0,0,0,0|1,0,0]=3 5026 B9R0.79 CC(C(=O)O)C(C)N(C)C Amb28139119 [0,2,0,0,0,0|2,0,0]=4 5027 B9R0.79 CC(C(=O)O)C(N)C(=O)O Amb2099482 [0,2,0,0,0,0|1,0,0]=3 5028 B9R0.79 CC(C(=O)O)C(O)C(=O)O Amb17593680 [0,2,0,0,0,0|1,0,0]=3 5029 B9R0.79 CC(C(N)=O)C(C)C(N)=O Amb28248514 [0,2,0,0,0,0|2,0,0]=4 5030 B9R0.79 CC(C(N)C(=O)O)N(C)C Amb30020664 [0,2,0,0,0,0|2,0,0]=4 5031 B9R0.79 CC(C)=C(C)C(N)C(=O)O Amb33330058 [0,2,0,0,0,0|1,0,1]=4 5032 B9R0.79 CC(C)=C(C)C(N)C(=O)O Amb33484307 [0,2,0,0,0,0|1,0,1]=4 5033 B9R0.79 CC(C)C(C)C(N)C(=O)O Amb26965499 [0,2,0,0,0,0|1,0,1]=4 5034 B9R0.79 CC(C)C(C)[C@@H](N)C(=O)O Amb28119442 [0,2,0,0,0,0|1,0,1]=4 5035 B9R0.79 CC(C)C(C)[C@H](N)C(=O)O Amb27951299 [0,2,0,0,0,0|1,0,1]=4 5036 B9R0.79 CC(C)C(F)C(N)C(=O)O Amb28071157 [0,2,0,0,0,0|1,0,1]=4 5037 B9R0.79 CC(C)C(F)[C@@H](N)C(=O)O Amb27248487 [0,2,0,0,0,0|1,0,1]=4 5038 B9R0.79 CC(C)C(F)[C@H](N)C(=O)O Amb25863595 [0,2,0,0,0,0|1,0,1]=4 5039 B9R0.79 CC(C)C(F)[C@H](N)C(=O)O Amb33328671 [0,2,0,0,0,0|1,0,1]=4 5040 B9R0.79 CC(C)C(N)C(C)C(=O)O Amb28121227 [0,2,0,0,0,0|1,0,1]=4 5041 B9R0.79 CC(C)C(N)C(F)C(=O)O Amb28385013 [0,2,0,0,0,0|1,0,1]=4 5042 B9R0.79 CC(C)C(N)C(O)C(=O)O Amb27615047 [0,2,0,0,0,0|1,0,1]=4 5043 B9R0.79 CC(C)C(O)C(C)C(=O)O Amb18990636 [0,2,0,0,0,0|1,0,1]=4 5044 B9R0.79 CC(C)C(O)C(F)C(=O)O Amb33136392 [0,2,0,0,0,0|1,0,1]=4 5045 B9R0.79 CC(C)C(O)C(N)C(=O)O Amb23399656 [0,2,0,0,0,0|1,0,1]=4 5046 B9R0.79 CC(C)C(O)C(O)C(=O)O Amb27655491 [0,2,0,0,0,0|1,0,1]=4 5047 B9R0.79 CC(C)C(O)[C@@H](C)C(=O)O Amb27494047 [0,2,0,0,0,0|1,0,1]=4 5048 B9R0.79 CC(C)C(O)[C@H](N)C(=O)O Amb24509492 [0,2,0,0,0,0|1,0,1]=4 5049 B9R0.79 CC(C)C(S)C(N)C(=O)O Amb28076641 [0,2,0,0,0,0|1,0,1]=4 5050 B9R0.79 CC(C)[C@@H](Cl)[C@@H](N)C(=O)O Amb27409092 [0,2,0,0,0,0|1,0,1]=4 5051 B9R0.79 CC(C)[C@@H](O)[C@@H](Br)C(=O)O Amb27394249 [0,2,0,0,0,0|1,0,1]=4 5052 B9R0.79 CC(C)[C@@H](O)[C@@H](C)C(=O)O Amb27874042 [0,2,0,0,0,0|1,0,1]=4 5053 B9R0.79 CC(C)[C@@H](O)[C@H](C)C(=O)O Amb28347218 [0,2,0,0,0,0|1,0,1]=4 5054 B9R0.79 CC(C)[C@H](Cl)[C@@H](N)C(=O)O Amb27796326 [0,2,0,0,0,0|1,0,1]=4 5055 B9R0.79 CC(C)[C@H](N)[C@H](C)C(=O)O Amb27216704 [0,2,0,0,0,0|1,0,1]=4 5056 B9R0.79 CC(C)[C@H](N)[C@H](O)C(=O)O Amb25147282 [0,2,0,0,0,0|1,0,1]=4 5057 B9R0.79 CC(C)[C@H](O)[C@@H](C)C(=O)O Amb10844253 [0,2,0,0,0,0|1,0,1]=4 5058 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O Amb10807407 [0,2,0,0,0,0|1,0,1]=4 5059 B9R0.79 CC(C)[C@H](O)[C@H](C)C(=O)O Amb28346279 [0,2,0,0,0,0|1,0,1]=4 5060 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O Amb26333625 [0,2,0,0,0,0|1,0,1]=4 5061 B9R0.79 CC(C)[C@H](O)[C@H](O)C(=O)O Amb28050049 [0,2,0,0,0,0|1,0,1]=4 5062 B9R0.79 CC(Cl)C(C)C(N)C(=O)O Amb27838066 [0,2,0,0,0,0|1,0,1]=4 5063 B9R0.79 CC(F)C(C)C(Br)C(=O)O Amb28050032 [0,2,0,0,0,0|1,0,1]=4 5064 B9R0.79 CC(F)C(C)C(N)C(=O)O Amb28041913 [0,2,0,0,0,0|1,0,1]=4 5065 B9R0.79 CC(N)C(O)C(C)C(=O)O Amb25870814 [0,2,0,0,0,0|1,0,1]=4 5066 B9R0.79 CC(O)C(C)C(C)C(=O)O Amb28059349 [0,2,0,0,0,0|0,0,2]=4 5067 B9R0.79 CC(O)C(C)C(N)C(=O)O Amb21953714 [0,2,0,0,0,0|0,0,2]=4 5068 B9R0.79 CC(O)C(C)[C@@H](N)C(=O)O Amb22800202 [0,2,0,0,0,0|0,0,2]=4 5069 B9R0.79 CC(O)C(C)[C@H](N)C(=O)O Amb27390194 [0,2,0,0,0,0|0,0,2]=4 5070 B9R0.79 CC(O)C(O)C(N)C(=O)O Amb27210841 [0,2,0,0,0,0|0,0,2]=4 5071 B9R0.79 CC(O)[C@@H](C)[C@@H](N)C(=O)O Amb33524291 [0,2,0,0,0,0|0,0,2]=4 5072 B9R0.79 CC(S)C(C)C(N)C(=O)O Amb27241739 [0,2,0,0,0,0|0,1,1]=4 5073 B9R0.79 C[C@@H](C(=O)O)C(N)C(=O)O Amb27877897 [0,2,0,0,0,0|1,0,0]=3 5074 B9R0.79 C[C@@H](C(=O)O)[C@@H](N)C(=O)O Amb27170727 [0,2,0,0,0,0|1,0,0]=3 5075 B9R0.79 C[C@@H](C(=O)O)[C@H](N)C(=O)O Amb25324829 [0,2,0,0,0,0|1,0,0]=3 5076 B9R0.79 C[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27243908 [0,2,0,0,0,0|1,0,0]=3 5077 B9R0.79 C[C@@H](O)[C@H](C)[C@@H](N)C(=O)O Amb27252085 [0,2,0,0,0,0|0,0,2]=4 5078 B9R0.79 C[C@@H](O)[C@H](C)[C@H](N)C(=O)O Amb17615448 [0,2,0,0,0,0|0,0,2]=4 5079 B9R0.79 C[C@@H]([C@@H](O)C(=O)O)N(C)C Amb28364201 [0,2,0,0,0,0|2,0,0]=4 5080 B9R0.79 C[C@@H]([C@H](C)C(N)=O)S(C)=O Amb27634882 [0,2,0,0,0,0|2,0,0]=4 5081 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O Amb22801175 [0,2,0,0,0,0|1,0,0]=3 5082 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 5083 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb27783086 [0,2,0,0,0,0|1,0,0]=3 5084 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb31031234 [0,2,0,0,0,0|1,0,0]=3 5085 B9R0.79 C[C@H](C(=O)O)[C@H](Br)C(=O)O Amb27463297 [0,2,0,0,0,0|1,0,0]=3 5086 B9R0.79 C[C@H](C(=O)O)[C@H](C)C(=O)O Amb27460990 [0,2,0,0,0,0|1,0,0]=3 5087 B9R0.79 C[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27955233 [0,2,0,0,0,0|1,0,0]=3 5088 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 5089 B9R0.79 C[C@H](N)[C@@H](O)[C@@H](C)C(=O)O Amb27845316 [0,2,0,0,0,0|1,0,1]=4 5090 B9R0.79 C[C@H](O)[C@@H](C)[C@@H](N)C(=O)O Amb27655509 [0,2,0,0,0,0|0,0,2]=4 5091 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O Amb27595659 [0,2,0,0,0,0|0,0,2]=4 5092 B9R0.79 C[C@H](O)[C@H](O)[C@@H](O)C(=O)O Amb27592166 [0,2,0,0,0,0|0,0,2]=4 5093 B9R0.79 C[C@H]([C@@H](C)O)[C@@H](N)C(=O)O Amb25693814 [0,2,0,0,0,0|0,0,2]=4 5094 B9R0.79 NC(=O)C(N)C(N)C(=O)O Amb27424997 [0,2,0,0,0,0|1,0,0]=3 5095 B9R0.79 NC(=O)C(O)C(O)C(=O)O Amb24112928 [0,2,0,0,0,0|1,0,0]=3 5096 B9R0.79 NC(=O)C(O)C(O)C(N)=O Amb2842263 [0,2,0,0,0,0|2,0,0]=4 5097 B9R0.79 NC(=O)[C@@H](N)[C@@H](O)C(N)=O Amb27259156 [0,2,0,0,0,0|2,0,0]=4 5098 B9R0.79 NC(=O)[C@@H](N)[C@H](O)C(N)=O Amb28126957 [0,2,0,0,0,0|2,0,0]=4 5099 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(=O)O Amb24763774 [0,2,0,0,0,0|1,0,0]=3 5100 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(=O)O Amb28341817 [0,2,0,0,0,0|1,0,0]=3 5101 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(N)=O Amb24385859 [0,2,0,0,0,0|2,0,0]=4 5102 B9R0.79 NC(C(=O)O)C(F)C(=O)O Amb24061061 [0,2,0,0,0,0|1,0,0]=3 5103 B9R0.79 NC(C(=O)O)C(N)C(=O)O Amb24117894 [0,2,0,0,0,0|1,0,0]=3 5104 B9R0.79 NC(C(=O)O)C(O)C(=O)O Amb9871461 [0,2,0,0,0,0|1,0,0]=3 5105 B9R0.79 N[C@@H](C(=O)O)C(F)C(=O)O Amb27494927 [0,2,0,0,0,0|1,0,0]=3 5106 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O Amb17942870 [0,2,0,0,0,0|1,0,0]=3 5107 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27470435 [0,2,0,0,0,0|1,0,0]=3 5108 B9R0.79 N[C@H](C(=O)O)C(F)C(=O)O Amb27796116 [0,2,0,0,0,0|1,0,0]=3 5109 B9R0.79 N[C@H](C(=O)O)[C@@H](F)C(=O)O Amb27865514 [0,2,0,0,0,0|1,0,0]=3 5110 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O Amb10072362 [0,2,0,0,0,0|1,0,0]=3 5111 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24087715 [0,2,0,0,0,0|1,0,0]=3 5112 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24117974 [0,2,0,0,0,0|1,0,0]=3 5113 B9R0.79 N[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27796563 [0,2,0,0,0,0|1,0,0]=3 5114 B9R0.79 N[C@H](C(=O)O)[C@H](F)C(=O)O Amb26945975 [0,2,0,0,0,0|1,0,0]=3 5115 B9R0.79 N[C@H](C(=O)O)[C@H](N)C(=O)O Amb27173533 [0,2,0,0,0,0|1,0,0]=3 5116 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb17615140 [0,2,0,0,0,0|1,0,0]=3 5117 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb33714683 [0,2,0,0,0,0|1,0,0]=3 5118 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O Amb2686761 [0,2,0,0,0,0|1,0,0]=3 5119 B9R0.79 O=C(O)C(Cl)C(Cl)C(=O)O Amb26345874 [0,2,0,0,0,0|1,0,0]=3 5120 B9R0.79 O=C(O)C(F)C(Cl)C(=O)O Amb27875188 [0,2,0,0,0,0|1,0,0]=3 5121 B9R0.79 O=C(O)C(O)C(Cl)C(=O)O Amb17594225 [0,2,0,0,0,0|1,0,0]=3 5122 B9R0.79 O=C(O)C(O)C(F)C(=O)O Amb24479232 [0,2,0,0,0,0|1,0,0]=3 5123 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb24668916 [0,2,0,0,0,0|1,0,0]=3 5124 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb6608787 [0,2,0,0,0,0|1,0,0]=3 5125 B9R0.79 O=C(O)C(O)C(O)C(=O)S Amb28050895 [0,2,0,0,0,0|1,0,0]=3 5126 B9R0.79 O=C(O)C(S)C(S)C(=O)O Amb8627761 [0,2,0,0,0,0|1,0,0]=3 5127 B9R0.79 O=C(O)[C@@H](Cl)[C@H](O)C(=O)O Amb27845392 [0,2,0,0,0,0|1,0,0]=3 5128 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O Amb22230832 [0,2,0,0,0,0|1,0,0]=3 5129 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb17616192 [0,2,0,0,0,0|1,0,0]=3 5130 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb19884028 [0,2,0,0,0,0|1,0,0]=3 5131 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22750609 [0,2,0,0,0,0|1,0,0]=3 5132 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22756774 [0,2,0,0,0,0|1,0,0]=3 5133 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb34915014 [0,2,0,0,0,0|1,0,0]=3 5134 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb5722339 [0,2,0,0,0,0|1,0,0]=3 5135 B9R0.79 O=C(O)[C@@H](S)[C@H](S)C(=O)O Amb28195042 [0,2,0,0,0,0|1,0,0]=3 5136 B9R0.79 O=C(O)[C@H](Br)[C@H](F)C(=O)O Amb28050029 [0,2,0,0,0,0|1,0,0]=3 5137 B9R0.79 O=C(O)[C@H](F)[C@H](F)C(=O)O Amb28365940 [0,2,0,0,0,0|1,0,0]=3 5138 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb19884026 [0,2,0,0,0,0|1,0,0]=3 5139 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20240604 [0,2,0,0,0,0|1,0,0]=3 5140 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20670711 [0,2,0,0,0,0|1,0,0]=3 5141 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb34915016 [0,2,0,0,0,0|1,0,0]=3 5142 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb8628435 [0,2,0,0,0,0|1,0,0]=3 5143 B9R0.79 O=C(O)[C@H](O)[C@H](Br)C(=O)O Amb28252354 [0,2,0,0,0,0|1,0,0]=3 5144 B9R0.79 O=C(O)[C@H](O)[C@H](Cl)C(=O)O Amb27477747 [0,2,0,0,0,0|1,0,0]=3 5145 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Amb8393135 [0,2,0,0,0,0|1,0,0]=3 5146 B9R0.79 O=C([O-])C(O)C(O)C(=O)O Amb20246422 [0,2,0,0,0,0|1,0,0]=3 5147 B9R0.79 O=C([O-])C(O)C(O)C(=O)O Amb8517447 [0,2,0,0,0,0|1,0,0]=3 5148 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] Amb19959974 [0,2,0,0,0,0|1,0,1]=4 5149 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] Amb8514450 [0,2,0,0,0,0|1,0,1]=4 5150 B9R0.79 O=C([O-])[C@@H](O)[C@H](O)C(=O)[O-] Amb32414666 [0,2,0,0,0,0|1,0,1]=4 5151 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O Amb34915846 [0,2,0,0,0,0|1,0,0]=3 5152 B9R0.77 CP(=O)(O)CCP(C)(=O)O Amb26350032 [0,2,0,0,0,0|2,0,0]=4 5153 B7R1.2 C=C1COC(=O)C1 Amb24589821 [1,0,0,1,0,0|2,0,0]=4 5154 B7R1.2 CC1=CC(=O)CC1 Amb6608696 [1,0,0,1,0,0|1,0,0]=3 5155 B7R1.2 CC1=CC(=O)CN1 Amb27390872 [1,0,0,1,0,0|2,0,0]=4 5156 B7R1.2 CC1=CC(=O)CO1 Amb22372192 [1,0,0,1,0,0|2,0,0]=4 5157 B7R1.2 CC1=CC(=O)NC1 Amb24479892 [1,0,0,1,0,0|2,0,0]=4 5158 B7R1.2 CC1=CC(=O)OC1 Amb22002703 [1,0,0,1,0,0|2,0,0]=4 5159 B7R1.2 CC1=NC(=O)CS1 Amb27838191 [1,0,0,1,0,0|2,0,0]=4 5160 B7R1.2 CC1=NCC(=O)N1 Amb27827848 [1,0,0,1,0,0|2,0,0]=4 5161 B7R1.2 CC1=NCC(=O)O1 Amb27783804 [1,0,0,1,0,0|1,0,0]=3 5162 B7R1.2 CC1=NNC(=O)O1 Amb19957998 [1,0,0,1,0,0|2,0,0]=4 5163 B7R1.2 CC1=NSC(=O)O1 Amb22395221 [1,0,0,1,0,0|2,0,0]=4 5164 B7R1.2 CC1CCC(=O)C1 Amb8513672 [1,0,0,1,0,0|1,0,1]=4 5165 B7R1.2 CC1CCC(=O)N1 Amb19267101 [1,0,0,1,0,0|1,0,1]=4 5166 B7R1.2 CC1CCC(=O)O1 Amb6298321 [1,0,0,1,0,0|0,0,1]=3 5167 B7R1.2 CC1CCC(=O)S1 Amb27252897 [1,0,0,1,0,0|0,1,1]=4 5168 B7R1.2 CC1CNC(=O)O1 Amb19651732 [1,0,0,1,0,0|1,0,1]=4 5169 B7R1.2 CC1COC(=O)O1 Amb8513300 [1,0,0,1,0,0|1,0,1]=4 5170 B7R1.2 CC1OC(=O)CS1 Amb25314322 [1,0,0,1,0,0|1,0,1]=4 5171 B7R1.2 CN1CCC(=O)C1 Amb22236123 [1,0,0,1,0,0|2,0,0]=4 5172 B7R1.2 CN1CCC(=O)C1 Amb8947873 [1,0,0,1,0,0|2,0,0]=4 5173 B7R1.2 CN1CCC(=O)N1 Amb24064860 [1,0,0,1,0,0|2,0,0]=4 5174 B7R1.2 C[C@@H]1CCC(=O)C1 Amb10844734 [1,0,0,1,0,0|1,0,1]=4 5175 B7R1.2 C[C@@H]1CCC(=O)N1 Amb24116991 [1,0,0,1,0,0|1,0,1]=4 5176 B7R1.2 C[C@@H]1CCC(=O)O1 Amb4166301 [1,0,0,1,0,0|0,0,1]=3 5177 B7R1.2 C[C@@H]1CNC(=O)O1 Amb25041458 [1,0,0,1,0,0|1,0,1]=4 5178 B7R1.2 C[C@@H]1COC(=O)O1 Amb8383956 [1,0,0,1,0,0|1,0,1]=4 5179 B7R1.2 C[C@H]1CCC(=O)O1 Amb26539040 [1,0,0,1,0,0|0,0,1]=3 5180 B7R1.2 C[C@H]1COC(=O)O1 Amb8516313 [1,0,0,1,0,0|1,0,1]=4 5181 B7R1.2 N=C1CC(=O)CS1 Amb27227202 [1,0,0,1,0,0|2,0,0]=4 5182 B7R1.2 NC1=CC(=O)CC1 Amb9753541 [1,0,0,1,0,0|1,0,1]=4 5183 B7R1.2 NC1CCC(=O)C1 Amb22494268 [1,0,0,1,0,0|1,0,1]=4 5184 B7R1.2 NC1CCC(=O)O1 Amb17593085 [1,0,0,1,0,0|1,0,1]=4 5185 B7R1.2 O=C1C=C(Br)CC1 Amb23399816 [1,0,0,1,0,0|1,0,1]=4 5186 B7R1.2 O=C1C=C(Cl)CC1 Amb9753542 [1,0,0,1,0,0|1,0,1]=4 5187 B7R1.2 O=C1C=C(O)CC1 Amb9901808 [1,0,0,1,0,0|0,0,1]=3 5188 B7R1.2 O=C1C=C(O)CN1 Amb20623530 [1,0,0,1,0,0|1,0,1]=4 5189 B7R1.2 O=C1C=C(O)CO1 Amb628324 [1,0,0,1,0,0|1,0,1]=4 5190 B7R1.2 O=C1C=CC(=O)C1 Amb22338203 [1,0,0,1,0,0|0,0,2]=4 5191 B7R1.2 O=C1C=CC(=O)O1 Amb20246531 [1,0,0,1,0,0|0,0,2]=4 5192 B7R1.2 O=C1C=CC(=O)O1 Amb6297783 [1,0,0,1,0,0|0,0,2]=4 5193 B7R1.2 O=C1CC(=O)NN1 Amb9809314 [1,0,0,1,0,0|2,0,0]=4 5194 B7R1.2 O=C1CC(=O)ON1 Amb33714889 [1,0,0,1,0,0|2,0,0]=4 5195 B7R1.2 O=C1CC(O)CN1 Amb19958404 [1,0,0,1,0,0|1,0,1]=4 5196 B7R1.2 O=C1CC(O)CO1 Amb4006296 [1,0,0,1,0,0|1,0,1]=4 5197 B7R1.2 O=C1CCC(=O)C1 Amb2696524 [1,0,0,1,0,0|0,0,0]=2 5198 B7R1.2 O=C1CCC(=O)N1 Amb2793049 [1,0,0,1,0,0|1,0,0]=3 5199 B7R1.2 O=C1CCC(=O)O1 Amb2793017 [1,0,0,1,0,0|0,0,0]=2 5200 B7R1.2 O=C1CCC(=O)S1 Amb2691584 [1,0,0,1,0,0|0,1,0]=3 5201 B7R1.2 O=C1CCC(=S)N1 Amb28122939 [1,0,0,1,0,0|1,1,0]=4 5202 B7R1.2 O=C1CCC(Br)C1 Amb24334292 [1,0,0,1,0,0|1,0,1]=4 5203 B7R1.2 O=C1CCC(Br)O1 Amb24556526 [1,0,0,1,0,0|1,0,1]=4 5204 B7R1.2 O=C1CCC(Cl)C1 Amb26585347 [1,0,0,1,0,0|1,0,1]=4 5205 B7R1.2 O=C1CCC(Cl)O1 Amb27477474 [1,0,0,1,0,0|1,0,1]=4 5206 B7R1.2 O=C1CCC(F)C1 Amb21963553 [1,0,0,1,0,0|1,0,1]=4 5207 B7R1.2 O=C1CCC(O)C1 Amb22057378 [1,0,0,1,0,0|0,0,1]=3 5208 B7R1.2 O=C1CCC(O)O1 Amb22740957 [1,0,0,1,0,0|0,0,2]=4 5209 B7R1.2 O=C1CCS(=O)C1 Amb27199097 [1,0,0,1,0,0|1,0,0]=3 5210 B7R1.2 O=C1CC[C@@H](O)C1 Amb27432638 [1,0,0,1,0,0|0,0,1]=3 5211 B7R1.2 O=C1CC[C@@H](O)N1 Amb27458284 [1,0,0,1,0,0|1,0,1]=4 5212 B7R1.2 O=C1CC[C@H](O)C1 Amb27804552 [1,0,0,1,0,0|0,0,1]=3 5213 B7R1.2 O=C1CC[C@H](O)N1 Amb27881572 [1,0,0,1,0,0|1,0,1]=4 5214 B7R1.2 O=C1CNC(=O)C1 Amb18202984 [1,0,0,1,0,0|1,0,0]=3 5215 B7R1.2 O=C1CNC(=O)N1 Amb3598086 [1,0,0,1,0,0|2,0,0]=4 5216 B7R1.2 O=C1CNC(=O)O1 Amb2695392 [1,0,0,1,0,0|1,0,0]=3 5217 B7R1.2 O=C1CNC(=O)S1 Amb22372196 [1,0,0,1,0,0|1,1,0]=4 5218 B7R1.2 O=C1CNC(=S)O1 Amb27393154 [1,0,0,1,0,0|1,1,0]=4 5219 B7R1.2 O=C1COC(=O)C1 Amb2721303 [1,0,0,1,0,0|1,0,0]=3 5220 B7R1.2 O=C1COC(=O)N1 Amb1625991 [1,0,0,1,0,0|2,0,0]=4 5221 B7R1.2 O=C1COC(=O)O1 Amb27837383 [1,0,0,1,0,0|1,0,0]=3 5222 B7R1.2 O=C1COC(=O)[N-]1 Amb32656005 [1,0,0,1,0,0|2,0,0]=4 5223 B7R1.2 O=C1CSC(=O)C1 Amb22731927 [1,0,0,1,0,0|1,0,0]=3 5224 B7R1.2 O=C1CSC(=O)N1 Amb1853667 [1,0,0,1,0,0|2,0,0]=4 5225 B7R1.2 O=C1CSC(=O)[N-]1 Amb435911 [1,0,0,1,0,0|2,0,0]=4 5226 B7R1.2 O=C1C[C@@H](O)CN1 Amb15691722 [1,0,0,1,0,0|1,0,1]=4 5227 B7R1.2 O=C1C[C@@H](O)CO1 Amb2695144 [1,0,0,1,0,0|1,0,1]=4 5228 B7R1.2 O=C1C[C@H](O)CN1 Amb8386060 [1,0,0,1,0,0|1,0,1]=4 5229 B7R1.2 O=C1C[C@H](O)CO1 Amb8627913 [1,0,0,1,0,0|1,0,1]=4 5230 B7R1.2 O=S1CCC(O)C1 Amb26600157 [1,0,0,1,0,0|1,0,1]=4 5231 B7R1.2 O=S1CCS(=O)C1 Amb27217021 [1,0,0,1,0,0|2,0,0]=4 5232 B7R1.2 O=S1CC[C@@H](O)C1 Amb28191911 [1,0,0,1,0,0|1,0,1]=4 5233 B7R1.3 C=C1CCCCO1 Amb28345156 [1,0,0,1,0,0|1,0,1]=4 5234 B7R1.3 C=C1CCCOC1 Amb27594580 [1,0,0,1,0,0|1,0,1]=4 5235 B7R1.3 O=C1CCC=CN1 Amb26365285 [1,0,0,1,0,0|1,0,1]=4 5236 B7R1.3 O=C1CCCCC1 Amb2793026 [1,0,0,1,0,0|1,0,1]=4 5237 B7R1.3 O=C1CCCCN1 Amb6892006 [1,0,0,1,0,0|1,0,1]=4 5238 B7R1.3 O=C1CCCCO1 Amb8513592 [1,0,0,1,0,0|0,0,1]=3 5239 B7R1.3 O=C1CCCCS1 Amb25186924 [1,0,0,1,0,0|0,1,1]=4 5240 B7R1.3 O=C1CCCNC1 Amb10070944 [1,0,0,1,0,0|1,0,1]=4 5241 B7R1.3 O=C1CCCNC1 Amb10602349 [1,0,0,1,0,0|1,0,1]=4 5242 B7R1.3 O=C1CCCNC1 Amb19958010 [1,0,0,1,0,0|1,0,1]=4 5243 B7R1.3 O=C1CCCOC1 Amb19373430 [1,0,0,1,0,0|0,0,1]=3 5244 B7R1.3 O=C1CCCON1 Amb26560803 [1,0,0,1,0,0|1,0,1]=4 5245 B7R1.3 O=C1CCCSC1 Amb13952257 [1,0,0,1,0,0|0,1,1]=4 5246 B7R1.3 O=C1CCNCC1 Amb2690392 [1,0,0,1,0,0|2,0,0]=4 5247 B7R1.3 O=C1CCNCC1 Amb2793002 [1,0,0,1,0,0|2,0,0]=4 5248 B7R1.3 O=C1CCNCC1 Amb8394939 [1,0,0,1,0,0|2,0,0]=4 5249 B7R1.3 O=C1CCNCN1 Amb27458283 [1,0,0,1,0,0|2,0,0]=4 5250 B7R1.3 O=C1CCOCC1 Amb2725565 [1,0,0,1,0,0|2,0,0]=4 5251 B7R1.3 O=C1CCSCC1 Amb1154265 [1,0,0,1,0,0|2,0,0]=4 5252 B7R1.3 O=C1CNCCO1 Amb19958702 [1,0,0,1,0,0|1,0,1]=4 5253 B7R1.3 O=C1CNCCO1 Amb32410210 [1,0,0,1,0,0|1,0,1]=4 5254 B7R1.3 O=C1COCCN1 Amb15691115 [1,0,0,1,0,0|1,0,1]=4 5255 B7R1.3 O=C1COCCO1 Amb17933352 [1,0,0,1,0,0|1,0,1]=4 5256 B7R1.3 O=C1CSCCO1 Amb28069740 [1,0,0,1,0,0|1,0,1]=4 5257 B7R1.3 O=C1NCCCO1 Amb10608499 [1,0,0,1,0,0|1,0,1]=4 5258 B7R1.3 O=C1OCCCO1 Amb4034896 [1,0,0,1,0,0|1,0,1]=4 5259 B7R1.5 CC1CC1CC=O Amb25737156 [1,0,0,1,0,0|1,0,1]=4 5260 B7R1.7 O=CCC=C1CC1 Amb27799822 [1,0,0,1,0,0|1,0,1]=4 5261 B7R1.7 O=CCCC1CC1 Amb21864768 [1,0,0,1,0,0|1,0,1]=4 5262 B7R1.10 C#CC1CC(=O)C1 Amb27874486 [1,0,0,1,0,0|1,0,1]=4 5263 B7R1.10 C=C1CC(C=O)C1 Amb22896623 [1,0,0,1,0,0|1,0,0]=3 5264 B7R1.10 C=C1CC(CO)C1 Amb25854323 [1,0,0,1,0,0|1,0,1]=4 5265 B7R1.10 C=C1CN(C=O)C1 Amb30028121 [1,0,0,1,0,0|2,0,0]=4 5266 B7R1.10 C=CC1CC(=O)C1 Amb26409138 [1,0,0,1,0,0|1,0,0]=3 5267 B7R1.10 C=CC1CC(=O)N1 Amb26507633 [1,0,0,1,0,0|1,0,1]=4 5268 B7R1.10 C=C[C@@H]1CC(=O)N1 Amb27589344 [1,0,0,1,0,0|1,0,1]=4 5269 B7R1.10 CC1CC(C=O)C1 Amb27827798 [1,0,0,1,0,0|1,0,1]=4 5270 B7R1.10 CCC1CC(=O)C1 Amb24406738 [1,0,0,1,0,0|1,0,1]=4 5271 B7R1.10 COC1CC(=O)C1 Amb22754340 [1,0,0,1,0,0|2,0,0]=4 5272 B7R1.10 COC1CC(=O)N1 Amb27802279 [1,0,0,1,0,0|2,0,0]=4 5273 B7R1.10 CSC1CC(=O)C1 Amb32655823 [1,0,0,1,0,0|2,0,0]=4 5274 B7R1.10 CSC1CC(=O)N1 Amb25265230 [1,0,0,1,0,0|2,0,0]=4 5275 B7R1.10 CS[C@@H]1CC(=O)N1 Amb27981333 [1,0,0,1,0,0|2,0,0]=4 5276 B7R1.10 N#CC1CC(=O)C1 Amb10603718 [1,0,0,1,0,0|1,0,1]=4 5277 B7R1.10 NCC1CC(=O)C1 Amb18251063 [1,0,0,1,0,0|1,0,1]=4 5278 B7R1.10 NCC1CC(=O)C1 Amb22406094 [1,0,0,1,0,0|1,0,1]=4 5279 B7R1.10 O=C1CC(CBr)C1 Amb20671344 [1,0,0,1,0,0|1,0,1]=4 5280 B7R1.10 O=C1CC(CBr)O1 Amb26981027 [1,0,0,1,0,0|1,0,1]=4 5281 B7R1.10 O=C1CC(CCl)C1 Amb10610581 [1,0,0,1,0,0|1,0,1]=4 5282 B7R1.10 O=C1CC(CCl)O1 Amb28322279 [1,0,0,1,0,0|1,0,1]=4 5283 B7R1.10 O=C1CC(CF)C1 Amb26416198 [1,0,0,1,0,0|1,0,1]=4 5284 B7R1.10 O=C1CC(CO)C1 Amb16231082 [1,0,0,1,0,0|0,0,1]=3 5285 B7R1.10 O=C1CC(CO)N1 Amb22388379 [1,0,0,1,0,0|1,0,1]=4 5286 B7R1.10 O=C1C[C@H](CO)N1 Amb26887642 [1,0,0,1,0,0|1,0,1]=4 5287 B7R1.10 O=CC1CC(F)C1 Amb28198994 [1,0,0,1,0,0|1,0,1]=4 5288 B7R1.10 O=CC1CC(O)C1 Amb33512133 [1,0,0,1,0,0|0,0,2]=4 5289 B7R1.12 C=C1CC1C(=O)O Amb9774969 [1,0,0,1,0,0|0,0,1]=3 5290 B7R1.12 C=C1CC1C(N)=O Amb28191145 [1,0,0,1,0,0|1,0,1]=4 5291 B7R1.12 CC(=O)C1CC1C Amb25720437 [1,0,0,1,0,0|1,0,1]=4 5292 B7R1.12 CC(=O)C1N=C1C Amb28050540 [1,0,0,1,0,0|2,0,0]=4 5293 B7R1.12 CC(=O)[C@@H]1C[C@H]1C Amb27262976 [1,0,0,1,0,0|1,0,1]=4 5294 B7R1.12 CC(=O)[C@H]1C[C@@H]1C Amb27493483 [1,0,0,1,0,0|1,0,1]=4 5295 B7R1.12 CC1=CC1C(=O)O Amb27157805 [1,0,0,1,0,0|0,0,1]=3 5296 B7R1.12 CC1CC1C(=O)Cl Amb33528387 [1,0,0,1,0,0|1,0,1]=4 5297 B7R1.12 CC1CC1C(=O)O Amb9703126 [1,0,0,1,0,0|0,0,1]=3 5298 B7R1.12 CC1CC1C(N)=O Amb8858378 [1,0,0,1,0,0|1,0,1]=4 5299 B7R1.12 CC1OC1C(=O)O Amb17593088 [1,0,0,1,0,0|1,0,1]=4 5300 B7R1.12 CC1SC1C(=O)O Amb27195238 [1,0,0,1,0,0|1,0,1]=4 5301 B7R1.12 CC1S[C@H]1C(=O)O Amb27399596 [1,0,0,1,0,0|1,0,1]=4 5302 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O Amb25851678 [1,0,0,1,0,0|0,0,1]=3 5303 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl Amb13883573 [1,0,0,1,0,0|1,0,1]=4 5304 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Amb22735875 [1,0,0,1,0,0|0,0,1]=3 5305 B7R1.12 C[C@@H]1C[C@H]1C(N)=O Amb27201134 [1,0,0,1,0,0|1,0,1]=4 5306 B7R1.12 C[C@@H]1N[C@H]1C(=O)O Amb24120621 [1,0,0,1,0,0|1,0,1]=4 5307 B7R1.12 C[C@@H]1O[C@@H]1C(=O)O Amb28347451 [1,0,0,1,0,0|1,0,1]=4 5308 B7R1.12 C[C@@H]1O[C@H]1C(=O)O Amb25738149 [1,0,0,1,0,0|1,0,1]=4 5309 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Amb22735974 [1,0,0,1,0,0|0,0,1]=3 5310 B7R1.12 C[C@H]1C[C@@H]1C(N)=O Amb27213992 [1,0,0,1,0,0|1,0,1]=4 5311 B7R1.12 C[C@H]1C[C@H]1C(=O)O Amb16233326 [1,0,0,1,0,0|0,0,1]=3 5312 B7R1.12 C[C@H]1O[C@@H]1C(=O)O Amb27420167 [1,0,0,1,0,0|1,0,1]=4 5313 B7R1.12 C[C@H]1O[C@H]1C(=O)O Amb27237050 [1,0,0,1,0,0|1,0,1]=4 5314 B7R1.12 NC1CC1C(=O)O Amb7762823 [1,0,0,1,0,0|1,0,1]=4 5315 B7R1.12 N[C@@H]1C[C@@H]1C(=O)O Amb25708637 [1,0,0,1,0,0|1,0,1]=4 5316 B7R1.12 N[C@H]1C[C@H]1C(=O)O Amb27630656 [1,0,0,1,0,0|1,0,1]=4 5317 B7R1.12 O=C(Cl)C1CC1=O Amb27838228 [1,0,0,1,0,0|1,0,0]=3 5318 B7R1.12 O=C(O)C1CC1Br Amb27760446 [1,0,0,1,0,0|1,0,1]=4 5319 B7R1.12 O=C(O)C1CC1Cl Amb28289730 [1,0,0,1,0,0|1,0,1]=4 5320 B7R1.12 O=C(O)C1CC1F Amb22490547 [1,0,0,1,0,0|1,0,1]=4 5321 B7R1.12 O=C(O)C1CC1I Amb26047069 [1,0,0,1,0,0|1,0,1]=4 5322 B7R1.12 O=C(O)C1CC1S Amb20246988 [1,0,0,1,0,0|0,1,1]=4 5323 B7R1.12 O=C(O)[C@@H]1CC1I Amb27616342 [1,0,0,1,0,0|1,0,1]=4 5324 B7R1.12 O=C(O)[C@@H]1C[C@@H]1Br Amb27232903 [1,0,0,1,0,0|1,0,1]=4 5325 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F Amb22737600 [1,0,0,1,0,0|1,0,1]=4 5326 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F Amb33716967 [1,0,0,1,0,0|1,0,1]=4 5327 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I Amb22756600 [1,0,0,1,0,0|1,0,1]=4 5328 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br Amb24570997 [1,0,0,1,0,0|1,0,1]=4 5329 B7R1.12 O=C(O)[C@@H]1C[C@H]1Cl Amb28252777 [1,0,0,1,0,0|1,0,1]=4 5330 B7R1.12 O=C(O)[C@@H]1C[C@H]1F Amb22737604 [1,0,0,1,0,0|1,0,1]=4 5331 B7R1.12 O=C(O)[C@@H]1C[C@H]1I Amb26636211 [1,0,0,1,0,0|1,0,1]=4 5332 B7R1.12 O=C(O)[C@H]1C[C@@H]1Cl Amb27655606 [1,0,0,1,0,0|1,0,1]=4 5333 B7R1.12 O=C(O)[C@H]1C[C@@H]1F Amb22736113 [1,0,0,1,0,0|1,0,1]=4 5334 B7R1.12 O=C(O)[C@H]1C[C@@H]1I Amb27968689 [1,0,0,1,0,0|1,0,1]=4 5335 B7R1.12 O=C(O)[C@H]1C[C@H]1F Amb22738580 [1,0,0,1,0,0|1,0,1]=4 5336 B7R1.12 O=C(O)[C@H]1C[C@H]1I Amb22736654 [1,0,0,1,0,0|1,0,1]=4 5337 B7R1.14 CP1(=O)C=CCC1 Amb27833507 [1,0,0,1,0,0|2,0,0]=4 5338 B7R1.17 CC1(C)CCC1=O Amb28050382 [1,0,0,1,0,0|1,0,1]=4 5339 B7R1.18 CC(=O)C1CCC1 Amb4037098 [1,0,0,1,0,0|1,0,1]=4 5340 B7R1.18 CC(=O)C1CCN1 Amb28142364 [1,0,0,1,0,0|1,0,1]=4 5341 B7R1.18 CC(=O)C1CNC1 Amb23400009 [1,0,0,1,0,0|2,0,0]=4 5342 B7R1.18 CC(=O)C1CNC1 Amb23401240 [1,0,0,1,0,0|2,0,0]=4 5343 B7R1.18 CC(=O)C1CNC1 Amb33473586 [1,0,0,1,0,0|2,0,0]=4 5344 B7R1.18 CC(=O)C1COC1 Amb27397483 [1,0,0,1,0,0|2,0,0]=4 5345 B7R1.18 CC(=O)C1CSC1 Amb29849423 [1,0,0,1,0,0|2,0,0]=4 5346 B7R1.18 CC(=O)N1C=CC1 Amb22001815 [1,0,0,1,0,0|2,0,0]=4 5347 B7R1.18 NC(=O)C1CCC1 Amb33552668 [1,0,0,1,0,0|1,0,1]=4 5348 B7R1.18 NC(=O)C1CNC1 Amb10976072 [1,0,0,1,0,0|2,0,0]=4 5349 B7R1.18 NC(=O)C1CNC1 Amb20061301 [1,0,0,1,0,0|2,0,0]=4 5350 B7R1.18 NC(=O)C1CNC1 Amb21960249 [1,0,0,1,0,0|2,0,0]=4 5351 B7R1.18 NC(=O)C1CSC1 Amb27209831 [1,0,0,1,0,0|2,0,0]=4 5352 B7R1.18 O=C(Br)C1CCC1 Amb28291328 [1,0,0,1,0,0|1,0,1]=4 5353 B7R1.18 O=C(Cl)C1CCC1 Amb33528386 [1,0,0,1,0,0|1,0,1]=4 5354 B7R1.18 O=C(O)C1CCC1 Amb2686619 [1,0,0,1,0,0|0,0,1]=3 5355 B7R1.18 O=C(O)C1CCN1 Amb2371568 [1,0,0,1,0,0|1,0,1]=4 5356 B7R1.18 O=C(O)C1CCN1 Amb8391098 [1,0,0,1,0,0|1,0,1]=4 5357 B7R1.18 O=C(O)C1CCO1 Amb2383526 [1,0,0,1,0,0|0,0,2]=4 5358 B7R1.18 O=C(O)C1CCS1 Amb27209836 [1,0,0,1,0,0|0,1,1]=4 5359 B7R1.18 O=C(O)C1CNC1 Amb2444164 [1,0,0,1,0,0|1,0,0]=3 5360 B7R1.18 O=C(O)C1CNC1 Amb8384273 [1,0,0,1,0,0|1,0,0]=3 5361 B7R1.18 O=C(O)C1COC1 Amb33542663 [1,0,0,1,0,0|1,0,0]=3 5362 B7R1.18 O=C(O)C1CSC1 Amb20171470 [1,0,0,1,0,0|1,0,0]=3 5363 B7R1.18 O=C(O)[C@@H]1CCN1 Amb2698263 [1,0,0,1,0,0|1,0,1]=4 5364 B7R1.18 O=C(O)[C@@H]1CCN1 Amb8631077 [1,0,0,1,0,0|1,0,1]=4 5365 B7R1.18 O=C(O)[C@@H]1CCO1 Amb33482870 [1,0,0,1,0,0|0,0,2]=4 5366 B7R1.18 O=C(O)[C@H]1CCN1 Amb2698264 [1,0,0,1,0,0|1,0,1]=4 5367 B7R1.18 O=C(O)[C@H]1CCN1 Amb33801322 [1,0,0,1,0,0|1,0,1]=4 5368 B7R1.18 O=C(O)[C@H]1CCO1 Amb33483353 [1,0,0,1,0,0|0,0,2]=4 5369 B7R1.20 C=C(C)CC1CO1 Amb33199536 [1,0,0,1,0,0|1,0,1]=4 5370 B7R1.20 CC(=O)CC1CC1 Amb10603417 [1,0,0,1,0,0|1,0,1]=4 5371 B7R1.20 CC(=O)OC1CO1 Amb25261586 [1,0,0,1,0,0|1,0,1]=4 5372 B7R1.20 NC(=O)CC1CC1 Amb33552967 [1,0,0,1,0,0|1,0,1]=4 5373 B7R1.20 O=C(Cl)CC1CC1 Amb18283320 [1,0,0,1,0,0|1,0,1]=4 5374 B7R1.20 O=C(O)CC1CC1 Amb2686657 [1,0,0,1,0,0|0,0,1]=3 5375 B7R1.20 O=C(O)CC1CO1 Amb25244347 [1,0,0,1,0,0|1,0,0]=3 5376 B7R1.20 O=C(O)C[C@@H]1CO1 Amb27253415 [1,0,0,1,0,0|1,0,0]=3 5377 B7R1.20 O=C(O)C[C@H]1CO1 Amb26068484 [1,0,0,1,0,0|1,0,0]=3 5378 B7R1.23 CC1(Br)CC1C=O Amb25679179 [1,0,0,1,0,0|1,0,1]=4 5379 B7R1.23 CC1(C)CC1C=O Amb28071200 [1,0,0,1,0,0|1,0,1]=4 5380 B7R1.23 CC1(C)C[C@@H]1C=O Amb26416941 [1,0,0,1,0,0|1,0,1]=4 5381 B7R1.23 C[C@]1(Br)C[C@@H]1C=O Amb27215359 [1,0,0,1,0,0|1,0,1]=4 5382 B7R1.16 CC1(C)CC(=O)O1 Amb17940813 [0,0,0,1,1,0|1,0,1]=4 5383 B7R1.16 O=C1CS(=O)(=O)C1 Amb22756924 [0,0,0,1,1,0|1,0,1]=4 5384 B9R1.35 C=C(Br)C1COC(=O)C1 Amb25707934 [0,0,0,1,0,1|2,0,0]=4 5385 B9R1.35 C=C(C)C1=CC(=O)CC1 Amb27838786 [0,0,0,1,0,1|2,0,0]=4 5386 B9R1.35 C=C(C)C1=NCC(=O)O1 Amb27770419 [0,0,0,1,0,1|1,0,1]=4 5387 B9R1.35 C=C(C)C1CCC(=O)N1 Amb27196085 [0,0,0,1,0,1|2,0,0]=4 5388 B9R1.35 C=C(C)C1CNC(=O)C1 Amb25921040 [0,0,0,1,0,1|2,0,0]=4 5389 B9R1.35 C=C(C)C1CNC(=O)O1 Amb33199198 [0,0,0,1,0,1|1,0,0]=3 5390 B9R1.35 C=C(C)C1COC(=O)N1 Amb24477743 [0,0,0,1,0,1|2,0,0]=4 5391 B9R1.35 C=C1CCC(C(=O)O)C1 Amb28369274 [0,0,0,1,0,1|1,0,0]=3 5392 B9R1.35 C=C1CCC(C(C)=O)C1 Amb27476121 [0,0,0,1,0,1|2,0,0]=4 5393 B9R1.35 C=C1CCN(C(C)=O)C1 Amb29879291 [0,0,0,1,0,1|2,0,0]=4 5394 B9R1.35 C=C1CCN(C(N)=O)C1 Amb35642169 [0,0,0,1,0,1|2,0,0]=4 5395 B9R1.35 C=C1CNC(C(N)=O)C1 Amb27640101 [0,0,0,1,0,1|2,0,0]=4 5396 B9R1.35 C=C1CN[C@@H](C(=O)O)C1 Amb27795857 [0,0,0,1,0,1|1,0,0]=3 5397 B9R1.35 C=C1CN[C@H](C(=O)O)C1 Amb27400250 [0,0,0,1,0,1|1,0,0]=3 5398 B9R1.35 CC(=O)C1=CCC(=S)O1 Amb27261937 [0,0,0,1,0,1|0,1,1]=4 5399 B9R1.35 CC(=O)C1=NC(=O)CS1 Amb29850784 [0,0,0,1,0,1|1,0,1]=4 5400 B9R1.35 CC(=O)C1C=C(C)CC1 Amb28137737 [0,0,0,1,0,1|2,0,0]=4 5401 B9R1.35 CC(=O)C1CC=C(C)C1 Amb26910073 [0,0,0,1,0,1|2,0,0]=4 5402 B9R1.35 CC(=O)C1CCC(=O)C1 Amb24423910 [0,0,0,1,0,1|1,0,0]=3 5403 B9R1.35 CC(=O)C1CCC(=O)O1 Amb3428694 [0,0,0,1,0,1|0,0,0]=2 5404 B9R1.35 CC(=O)C1CCC(O)O1 Amb27838664 [0,0,0,1,0,1|0,0,2]=4 5405 B9R1.35 CC(=O)C1CC[C@@H](C)O1 Amb33423868 [0,0,0,1,0,1|1,0,1]=4 5406 B9R1.35 CC(=O)C1CN=C(C)O1 Amb26529070 [0,0,0,1,0,1|1,0,0]=3 5407 B9R1.35 CC(=O)C1CNC(=O)C1 Amb27488585 [0,0,0,1,0,1|1,0,0]=3 5408 B9R1.35 CC(=O)N1CCC(=O)C1 Amb18832698 [0,0,0,1,0,1|1,0,0]=3 5409 B9R1.35 CC(=O)N1CCC(=O)N1 Amb32721860 [0,0,0,1,0,1|1,0,0]=3 5410 B9R1.35 CC(=O)N1CCC(O)C1 Amb20622704 [0,0,0,1,0,1|1,0,1]=4 5411 B9R1.35 CC(=O)N1CC[C@@H](O)C1 Amb17935744 [0,0,0,1,0,1|1,0,1]=4 5412 B9R1.35 CC(=O)N1CC[C@H](O)C1 Amb17935745 [0,0,0,1,0,1|1,0,1]=4 5413 B9R1.35 CC(=O)[C@@H]1CCC(=O)C1 Amb24407171 [0,0,0,1,0,1|1,0,0]=3 5414 B9R1.35 CC(=O)[C@@H]1CCC(=O)N1 Amb27167616 [0,0,0,1,0,1|1,0,0]=3 5415 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 Amb24182046 [0,0,0,1,0,1|0,0,0]=2 5416 B9R1.35 CC(=O)[C@@H]1CC[C@H](C)O1 Amb26958731 [0,0,0,1,0,1|1,0,1]=4 5417 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 Amb26590768 [0,0,0,1,0,1|1,0,0]=3 5418 B9R1.35 CC(=O)[C@H]1CCC(=O)N1 Amb27877407 [0,0,0,1,0,1|1,0,0]=3 5419 B9R1.35 CC(=O)[C@H]1COC(=O)C1 Amb18832647 [0,0,0,1,0,1|1,0,0]=3 5420 B9R1.35 CC(Br)C1CNC(=O)O1 Amb27424630 [0,0,0,1,0,1|1,0,1]=4 5421 B9R1.35 CC(C)C1CNC(=O)O1 Amb27494066 [0,0,0,1,0,1|1,0,1]=4 5422 B9R1.35 CC(O)C1CCC(=O)O1 Amb25998293 [0,0,0,1,0,1|0,0,2]=4 5423 B9R1.35 CC(O)C1CNC(=O)C1 Amb27258070 [0,0,0,1,0,1|1,0,1]=4 5424 B9R1.35 CC1=CC(C(=O)O)NC1 Amb27751727 [0,0,0,1,0,1|1,0,0]=3 5425 B9R1.35 CC1=CC(C(=O)O)SC1 Amb10809142 [0,0,0,1,0,1|1,0,0]=3 5426 B9R1.35 CC1=CCC(C(N)=O)C1 Amb28195175 [0,0,0,1,0,1|2,0,0]=4 5427 B9R1.35 CC1=NC(C(=O)O)CC1 Amb23438203 [0,0,0,1,0,1|1,0,0]=3 5428 B9R1.35 CC1=NC(C(=O)O)CC1 Amb32409643 [0,0,0,1,0,1|1,0,0]=3 5429 B9R1.35 CC1=NC(C(=O)O)CO1 Amb20621597 [0,0,0,1,0,1|1,0,0]=3 5430 B9R1.35 CC1=NC(C(=O)O)CS1 Amb18124720 [0,0,0,1,0,1|1,0,0]=3 5431 B9R1.35 CC1=NC(C(=O)[O-])CS1 Amb22734629 [0,0,0,1,0,1|1,0,1]=4 5432 B9R1.35 CC1=NCC(C(=O)O)N1 Amb24599993 [0,0,0,1,0,1|1,0,0]=3 5433 B9R1.35 CC1=NCC(C(=O)O)S1 Amb27958674 [0,0,0,1,0,1|0,1,0]=3 5434 B9R1.35 CC1=NC[C@H](C(=O)O)N1 Amb27827434 [0,0,0,1,0,1|1,0,0]=3 5435 B9R1.35 CC1=NN(C(N)=O)CC1 Amb27807512 [0,0,0,1,0,1|2,0,0]=4 5436 B9R1.35 CC1=NOC(C(=O)O)C1 Amb7088977 [0,0,0,1,0,1|2,0,0]=4 5437 B9R1.35 CC1=NO[C@H](C(=O)O)C1 Amb25189709 [0,0,0,1,0,1|2,0,0]=4 5438 B9R1.35 CC1=N[C@@H](C(=O)O)CS1 Amb32676192 [0,0,0,1,0,1|1,0,0]=3 5439 B9R1.35 CC1=N[C@H](C(=O)O)CC1 Amb27455557 [0,0,0,1,0,1|1,0,0]=3 5440 B9R1.35 CC1=N[C@H](C(=O)O)CS1 Amb35648200 [0,0,0,1,0,1|1,0,0]=3 5441 B9R1.35 CC1C=C(C(=O)O)CC1 Amb18642397 [0,0,0,1,0,1|1,0,1]=4 5442 B9R1.35 CC1CC(C(=O)O)CN1 Amb18832566 [0,0,0,1,0,1|1,0,1]=4 5443 B9R1.35 CC1CC(C(=O)O)CO1 Amb25922998 [0,0,0,1,0,1|1,0,1]=4 5444 B9R1.35 CC1CCC(C(=O)O)C1 Amb18642624 [0,0,0,1,0,1|1,0,1]=4 5445 B9R1.35 CC1CCC(C(=O)O)N1 Amb18832572 [0,0,0,1,0,1|1,0,1]=4 5446 B9R1.35 CC1CCC(C(=O)O)N1 Amb32652343 [0,0,0,1,0,1|1,0,1]=4 5447 B9R1.35 CC1CCC(C(=O)O)O1 Amb17593370 [0,0,0,1,0,1|0,0,2]=4 5448 B9R1.35 CC1CCC(C(=O)O)S1 Amb25719281 [0,0,0,1,0,1|0,1,1]=4 5449 B9R1.35 CC1CC[C@H](C(=O)O)N1 Amb22748252 [0,0,0,1,0,1|1,0,1]=4 5450 B9R1.35 CC1CN[C@H](C(=O)O)C1 Amb33756822 [0,0,0,1,0,1|1,0,1]=4 5451 B9R1.35 CC1CN[C@H](C(=O)O)C1 Amb8386516 [0,0,0,1,0,1|1,0,1]=4 5452 B9R1.35 CC1COC(C(=O)O)C1 Amb32679237 [0,0,0,1,0,1|1,0,1]=4 5453 B9R1.35 CC1NC(C(=O)O)CS1 Amb9718451 [0,0,0,1,0,1|1,0,1]=4 5454 B9R1.35 CC1N[C@H](C(=O)O)CS1 Amb16203706 [0,0,0,1,0,1|1,0,1]=4 5455 B9R1.35 CN1CCC(C(=O)O)C1 Amb3941190 [0,0,0,1,0,1|2,0,0]=4 5456 B9R1.35 CN1CCC(C(=O)O)C1 Amb9154860 [0,0,0,1,0,1|2,0,0]=4 5457 B9R1.35 CN1CC[C@@H](C(=O)O)C1 Amb22746030 [0,0,0,1,0,1|2,0,0]=4 5458 B9R1.35 CN1CC[C@@H](C(=O)O)C1 Amb22756448 [0,0,0,1,0,1|2,0,0]=4 5459 B9R1.35 CN1CC[C@H](C(=O)O)C1 Amb26635487 [0,0,0,1,0,1|2,0,0]=4 5460 B9R1.35 C[C@@H](N)[C@H]1CCC(=O)O1 Amb28456584 [0,0,0,1,0,1|1,0,1]=4 5461 B9R1.35 C[C@@H](O)C1CNC(=O)C1 Amb27390672 [0,0,0,1,0,1|1,0,1]=4 5462 B9R1.35 C[C@@H]1CCC(C(=O)O)O1 Amb33423875 [0,0,0,1,0,1|0,0,2]=4 5463 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)C1 Amb28429501 [0,0,0,1,0,1|1,0,1]=4 5464 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 Amb31308105 [0,0,0,1,0,1|1,0,1]=4 5465 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)C1 Amb10843961 [0,0,0,1,0,1|1,0,1]=4 5466 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Amb24399449 [0,0,0,1,0,1|1,0,1]=4 5467 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Amb32652487 [0,0,0,1,0,1|1,0,1]=4 5468 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)O1 Amb22886534 [0,0,0,1,0,1|0,0,2]=4 5469 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 Amb19888348 [0,0,0,1,0,1|1,0,1]=4 5470 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 Amb33812626 [0,0,0,1,0,1|1,0,1]=4 5471 B9R1.35 C[C@@H]1C[C@H](C(=O)O)CO1 Amb27961253 [0,0,0,1,0,1|1,0,1]=4 5472 B9R1.35 C[C@@H]1O[C@H](C(=O)O)CS1 Amb26951854 [0,0,0,1,0,1|0,0,2]=4 5473 B9R1.35 C[C@H](N)[C@H]1CCC(=O)O1 Amb27850574 [0,0,0,1,0,1|1,0,1]=4 5474 B9R1.35 C[C@H](O)C1CNC(=O)C1 Amb27838586 [0,0,0,1,0,1|1,0,1]=4 5475 B9R1.35 C[C@H](O)[C@@H]1COC(=O)O1 Amb27197946 [0,0,0,1,0,1|0,0,2]=4 5476 B9R1.35 C[C@H](O)[C@H]1CNC(=O)C1 Amb27968562 [0,0,0,1,0,1|1,0,1]=4 5477 B9R1.35 C[C@H](O)[C@H]1COC(=O)C1 Amb27980502 [0,0,0,1,0,1|1,0,1]=4 5478 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Amb24598417 [0,0,0,1,0,1|1,0,1]=4 5479 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Amb35745779 [0,0,0,1,0,1|1,0,1]=4 5480 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)O1 Amb24651587 [0,0,0,1,0,1|0,0,2]=4 5481 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 Amb33871500 [0,0,0,1,0,1|1,0,1]=4 5482 B9R1.35 C[C@H]1CN[C@@H](C(=O)O)C1 Amb19887682 [0,0,0,1,0,1|1,0,1]=4 5483 B9R1.35 C[C@H]1CN[C@@H](C(=O)O)C1 Amb23439040 [0,0,0,1,0,1|1,0,1]=4 5484 B9R1.35 C[C@H]1N[C@@H](C(=O)O)CS1 Amb28198473 [0,0,0,1,0,1|1,0,1]=4 5485 B9R1.35 C[C@H]1O[C@H](C(=O)O)CS1 Amb27252305 [0,0,0,1,0,1|0,0,2]=4 5486 B9R1.35 N=C1OCC(C(=O)O)S1 Amb27954988 [0,0,0,1,0,1|1,1,0]=4 5487 B9R1.35 NC(=O)C1CCC(=O)N1 Amb17142856 [0,0,0,1,0,1|2,0,0]=4 5488 B9R1.35 NC(=O)C1CCC(=O)O1 Amb24466803 [0,0,0,1,0,1|1,0,0]=3 5489 B9R1.35 NC(=O)C1CNC(=O)C1 Amb1803351 [0,0,0,1,0,1|1,0,0]=3 5490 B9R1.35 NC(=O)C1CNC(=O)O1 Amb27200796 [0,0,0,1,0,1|1,0,0]=3 5491 B9R1.35 NC(=O)C1CSC(=O)C1 Amb27837681 [0,0,0,1,0,1|1,0,0]=3 5492 B9R1.35 NC(=O)C1CSC(=O)N1 Amb27595631 [0,0,0,1,0,1|2,0,0]=4 5493 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 Amb4018786 [0,0,0,1,0,1|2,0,0]=4 5494 B9R1.35 NC(=O)[C@@H]1CCC(=O)O1 Amb25146823 [0,0,0,1,0,1|1,0,0]=3 5495 B9R1.35 NC(=O)[C@H]1CCC(=O)N1 Amb27961076 [0,0,0,1,0,1|2,0,0]=4 5496 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 Amb26909560 [0,0,0,1,0,1|1,0,0]=3 5497 B9R1.35 NC(=S)C1CCC(=O)O1 Amb27791679 [0,0,0,1,0,1|1,1,0]=4 5498 B9R1.35 NC1=NC(C(=O)O)CC1 Amb32718833 [0,0,0,1,0,1|2,0,0]=4 5499 B9R1.35 NC1=NC(C(=O)O)CS1 Amb6566424 [0,0,0,1,0,1|2,0,0]=4 5500 B9R1.35 NC1=N[C@@H](C(=O)O)CC1 Amb27202599 [0,0,0,1,0,1|2,0,0]=4 5501 B9R1.35 NC1=N[C@H](C(=O)O)CS1 Amb27976059 [0,0,0,1,0,1|2,0,0]=4 5502 B9R1.35 NC1CCC(C(=O)O)C1 Amb10066880 [0,0,0,1,0,1|1,0,1]=4 5503 B9R1.35 NC1CCC(C(=O)O)C1 Amb2694935 [0,0,0,1,0,1|1,0,1]=4 5504 B9R1.35 NC1CN[C@H](C(=O)O)C1 Amb28145911 [0,0,0,1,0,1|1,0,1]=4 5505 B9R1.35 NC1COC(C(=O)O)C1 Amb18642828 [0,0,0,1,0,1|1,0,1]=4 5506 B9R1.35 NC1CSC(C(=O)O)C1 Amb18831415 [0,0,0,1,0,1|1,0,1]=4 5507 B9R1.35 N[C@@H]1CCC(C(=O)O)C1 Amb27263056 [0,0,0,1,0,1|1,0,1]=4 5508 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 Amb10066881 [0,0,0,1,0,1|1,0,1]=4 5509 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 Amb33801942 [0,0,0,1,0,1|1,0,1]=4 5510 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Amb33801272 [0,0,0,1,0,1|1,0,1]=4 5511 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Amb8516357 [0,0,0,1,0,1|1,0,1]=4 5512 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 Amb19515889 [0,0,0,1,0,1|1,0,1]=4 5513 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 Amb25992752 [0,0,0,1,0,1|1,0,1]=4 5514 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 Amb10070446 [0,0,0,1,0,1|1,0,1]=4 5515 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 Amb10603136 [0,0,0,1,0,1|1,0,1]=4 5516 B9R1.35 N[C@@H]1CO[C@@H](C(=O)O)C1 Amb25691536 [0,0,0,1,0,1|1,0,1]=4 5517 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 Amb22746692 [0,0,0,1,0,1|1,0,1]=4 5518 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 Amb8516356 [0,0,0,1,0,1|1,0,1]=4 5519 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 Amb10066883 [0,0,0,1,0,1|1,0,1]=4 5520 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 Amb22756038 [0,0,0,1,0,1|1,0,1]=4 5521 B9R1.35 N[C@H]1CN[C@@H](C(=O)O)C1 Amb27255323 [0,0,0,1,0,1|1,0,1]=4 5522 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 Amb10070445 [0,0,0,1,0,1|1,0,1]=4 5523 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 Amb10603131 [0,0,0,1,0,1|1,0,1]=4 5524 B9R1.35 N[C@H]1CO[C@H](C(=O)O)C1 Amb24117069 [0,0,0,1,0,1|1,0,1]=4 5525 B9R1.35 O=C(O)C1CC(Br)=NO1 Amb26852251 [0,0,0,1,0,1|2,0,0]=4 5526 B9R1.35 O=C(O)C1CC(Cl)CN1 Amb28436107 [0,0,0,1,0,1|1,0,1]=4 5527 B9R1.35 O=C(O)C1CC(F)CN1 Amb10608925 [0,0,0,1,0,1|1,0,1]=4 5528 B9R1.35 O=C(O)C1CC(I)CN1 Amb27467588 [0,0,0,1,0,1|1,0,1]=4 5529 B9R1.35 O=C(O)C1CC(O)CN1 Amb32666298 [0,0,0,1,0,1|0,0,2]=4 5530 B9R1.35 O=C(O)C1CC(O)CN1 Amb33481348 [0,0,0,1,0,1|0,0,2]=4 5531 B9R1.35 O=C(O)C1CC(O)CN1 Amb9702801 [0,0,0,1,0,1|0,0,2]=4 5532 B9R1.35 O=C(O)C1CC(O)CO1 Amb18642869 [0,0,0,1,0,1|0,0,2]=4 5533 B9R1.35 O=C(O)C1CCC(Br)C1 Amb2695404 [0,0,0,1,0,1|1,0,1]=4 5534 B9R1.35 O=C(O)C1CCC(F)C1 Amb22886545 [0,0,0,1,0,1|1,0,1]=4 5535 B9R1.35 O=C(O)C1CCC(I)C1 Amb23456141 [0,0,0,1,0,1|1,0,1]=4 5536 B9R1.35 O=C(O)C1CCC(O)C1 Amb21963572 [0,0,0,1,0,1|0,0,2]=4 5537 B9R1.35 O=C(O)C1CCC(S)C1 Amb27403449 [0,0,0,1,0,1|0,1,1]=4 5538 B9R1.35 O=C(O)C1CSC(=S)N1 Amb7089160 [0,0,0,1,0,1|1,1,0]=4 5539 B9R1.35 O=C(O)C1CSS(=O)C1 Amb27165800 [0,0,0,1,0,1|1,0,0]=3 5540 B9R1.35 O=C(O)C1C[C@H](O)CN1 Amb34913473 [0,0,0,1,0,1|0,0,2]=4 5541 B9R1.35 O=C(O)[C@@H]1CC(O)CN1 Amb25743296 [0,0,0,1,0,1|0,0,2]=4 5542 B9R1.35 O=C(O)[C@@H]1CC(S)CN1 Amb28430216 [0,0,0,1,0,1|0,1,1]=4 5543 B9R1.35 O=C(O)[C@@H]1CCC(=S)N1 Amb26857015 [0,0,0,1,0,1|1,1,0]=4 5544 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 Amb22746558 [0,0,0,1,0,1|0,0,2]=4 5545 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 Amb27784295 [0,0,0,1,0,1|0,0,2]=4 5546 B9R1.35 O=C(O)[C@@H]1CC[C@H](S)C1 Amb26438302 [0,0,0,1,0,1|0,1,1]=4 5547 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 Amb9809722 [0,0,0,1,0,1|1,1,0]=4 5548 B9R1.35 O=C(O)[C@@H]1C[C@@H](Br)CN1 Amb10603132 [0,0,0,1,0,1|1,0,1]=4 5549 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 Amb16232298 [0,0,0,1,0,1|1,0,1]=4 5550 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 Amb8386381 [0,0,0,1,0,1|1,0,1]=4 5551 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 Amb1994991 [0,0,0,1,0,1|0,0,2]=4 5552 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CO1 Amb28287549 [0,0,0,1,0,1|0,0,2]=4 5553 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 Amb22831348 [0,0,0,1,0,1|0,1,1]=4 5554 B9R1.35 O=C(O)[C@@H]1C[C@H](Br)CN1 Amb10603137 [0,0,0,1,0,1|1,0,1]=4 5555 B9R1.35 O=C(O)[C@@H]1C[C@H](Cl)CN1 Amb27630657 [0,0,0,1,0,1|1,0,1]=4 5556 B9R1.35 O=C(O)[C@@H]1C[C@H](Cl)CN1 Amb35749342 [0,0,0,1,0,1|1,0,1]=4 5557 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 Amb10603139 [0,0,0,1,0,1|1,0,1]=4 5558 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 Amb22757085 [0,0,0,1,0,1|1,0,1]=4 5559 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 Amb22748218 [0,0,0,1,0,1|0,0,2]=4 5560 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 Amb8384483 [0,0,0,1,0,1|0,0,2]=4 5561 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 Amb8629987 [0,0,0,1,0,1|0,0,2]=4 5562 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 Amb27783148 [0,0,0,1,0,1|0,1,1]=4 5563 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 Amb28994765 [0,0,0,1,0,1|0,1,1]=4 5564 B9R1.35 O=C(O)[C@H]1CC(F)CN1 Amb27447262 [0,0,0,1,0,1|1,0,1]=4 5565 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 Amb26960428 [0,0,0,1,0,1|0,0,2]=4 5566 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 Amb10839999 [0,0,0,1,0,1|1,0,1]=4 5567 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 Amb33726117 [0,0,0,1,0,1|1,0,1]=4 5568 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 Amb5718663 [0,0,0,1,0,1|0,0,2]=4 5569 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 Amb5719209 [0,0,0,1,0,1|0,0,2]=4 5570 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 Amb10067741 [0,0,0,1,0,1|1,0,1]=4 5571 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 Amb28989995 [0,0,0,1,0,1|1,0,1]=4 5572 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 Amb16230723 [0,0,0,1,0,1|0,0,2]=4 5573 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 Amb8628928 [0,0,0,1,0,1|0,0,2]=4 5574 B9R1.35 O=C1C=C(C(=O)O)CC1 Amb13883804 [0,0,0,1,0,1|0,0,1]=3 5575 B9R1.35 O=C1C=CC(C(=O)O)C1 Amb26002884 [0,0,0,1,0,1|0,0,1]=3 5576 B9R1.35 O=C1C=CC(C(=O)O)N1 Amb27775192 [0,0,0,1,0,1|1,0,1]=4 5577 B9R1.35 O=C1CC(C(=O)O)=CN1 Amb18832707 [0,0,0,1,0,1|0,0,2]=4 5578 B9R1.35 O=C1CC(C(=O)O)=CO1 Amb3499387 [0,0,0,1,0,1|0,0,2]=4 5579 B9R1.35 O=C1CC(C(=O)O)=NN1 Amb18278720 [0,0,0,1,0,1|1,0,1]=4 5580 B9R1.35 O=C1CC(C(=O)O)CN1 Amb33545000 [0,0,0,1,0,1|0,0,0]=2 5581 B9R1.35 O=C1CC(C(=O)O)CO1 Amb22642307 [0,0,0,1,0,1|0,0,0]=2 5582 B9R1.35 O=C1CC(C(=O)O)CS1 Amb10073724 [0,0,0,1,0,1|0,0,0]=2 5583 B9R1.35 O=C1CC(C(=O)O)NN1 Amb18642739 [0,0,0,1,0,1|1,0,0]=3 5584 B9R1.35 O=C1CCC(B(O)O)C1 Amb27866777 [0,0,0,1,0,1|1,0,1]=4 5585 B9R1.35 O=C1CCC(C(=O)Cl)C1 Amb25282784 [0,0,0,1,0,1|1,0,0]=3 5586 B9R1.35 O=C1CCC(C(=O)Cl)N1 Amb17142869 [0,0,0,1,0,1|2,0,0]=4 5587 B9R1.35 O=C1CCC(C(=O)Cl)O1 Amb24648754 [0,0,0,1,0,1|1,0,0]=3 5588 B9R1.35 O=C1CCC(C(=O)O)C1 Amb2695400 [0,0,0,1,0,1|0,0,0]=2 5589 B9R1.35 O=C1CCC(C(=O)O)N1 Amb9703102 [0,0,0,1,0,1|1,0,0]=3 5590 B9R1.35 O=C1CCC(C(=O)O)O1 Amb20623076 [0,0,0,1,0,1|1,0,0]=3 5591 B9R1.35 O=C1CCC(C(=O)O)S1 Amb23439315 [0,0,0,1,0,1|1,0,0]=3 5592 B9R1.35 O=C1CCC(C(=O)[O-])N1 Amb8514777 [0,0,0,1,0,1|1,0,1]=4 5593 B9R1.35 O=C1CCN([N+](=O)[O-])C1 Amb27655646 [0,0,0,1,0,1|1,0,1]=4 5594 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 Amb22388653 [0,0,0,1,0,1|1,0,0]=3 5595 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 Amb27254141 [0,0,0,1,0,1|0,0,0]=2 5596 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb1995036 [0,0,0,1,0,1|1,0,0]=3 5597 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb24099403 [0,0,0,1,0,1|1,0,0]=3 5598 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 Amb2722887 [0,0,0,1,0,1|1,0,0]=3 5599 B9R1.35 O=C1CC[C@@H](C(=O)[O-])N1 Amb8395173 [0,0,0,1,0,1|1,0,1]=4 5600 B9R1.35 O=C1CC[C@H](C(=O)Cl)O1 Amb22747149 [0,0,0,1,0,1|1,0,0]=3 5601 B9R1.35 O=C1CC[C@H](C(=O)O)C1 Amb22746923 [0,0,0,1,0,1|0,0,0]=2 5602 B9R1.35 O=C1CC[C@H](C(=O)O)N1 Amb2694994 [0,0,0,1,0,1|1,0,0]=3 5603 B9R1.35 O=C1CC[C@H](C(=O)O)O1 Amb2720513 [0,0,0,1,0,1|1,0,0]=3 5604 B9R1.35 O=C1CN=C(C(=O)O)N1 Amb24387402 [0,0,0,1,0,1|1,0,1]=4 5605 B9R1.35 O=C1CNC(C(=O)O)C1 Amb30625211 [0,0,0,1,0,1|0,0,0]=2 5606 B9R1.35 O=C1CNC(C(=O)O)C1 Amb8386094 [0,0,0,1,0,1|0,0,0]=2 5607 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb22747440 [0,0,0,1,0,1|0,0,0]=2 5608 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb8628977 [0,0,0,1,0,1|0,0,0]=2 5609 B9R1.35 O=C1COC(C(=O)O)C1 Amb32651713 [0,0,0,1,0,1|0,0,0]=2 5610 B9R1.35 O=C1CSC(C(=O)Cl)O1 Amb25724287 [0,0,0,1,0,1|1,0,0]=3 5611 B9R1.35 O=C1CSC(C(=O)O)=N1 Amb27211941 [0,0,0,1,0,1|1,0,1]=4 5612 B9R1.35 O=C1CSC(C(=O)O)C1 Amb24061425 [0,0,0,1,0,1|0,0,0]=2 5613 B9R1.35 O=C1CSC(C(=O)O)O1 Amb25063335 [0,0,0,1,0,1|1,0,0]=3 5614 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 Amb23439643 [0,0,0,1,0,1|0,0,0]=2 5615 B9R1.35 O=C1C[C@@H](C(=O)O)CO1 Amb27253217 [0,0,0,1,0,1|0,0,0]=2 5616 B9R1.35 O=C1C[C@H](C(=O)O)CN1 Amb25946886 [0,0,0,1,0,1|0,0,0]=2 5617 B9R1.35 O=C1NC(C(=O)Cl)CO1 Amb27484689 [0,0,0,1,0,1|2,0,0]=4 5618 B9R1.35 O=C1NC(C(=O)Cl)CS1 Amb28040993 [0,0,0,1,0,1|2,0,0]=4 5619 B9R1.35 O=C1NC(C(=O)O)CO1 Amb15701690 [0,0,0,1,0,1|1,0,0]=3 5620 B9R1.35 O=C1NC(C(=O)O)CS1 Amb3319393 [0,0,0,1,0,1|1,0,0]=3 5621 B9R1.35 O=C1NCC(C(=O)O)N1 Amb2780032 [0,0,0,1,0,1|1,0,0]=3 5622 B9R1.35 O=C1NCC(C(=O)O)O1 Amb24112958 [0,0,0,1,0,1|1,0,0]=3 5623 B9R1.35 O=C1NCC(C(=O)O)S1 Amb24084914 [0,0,0,1,0,1|1,0,0]=3 5624 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 Amb3997304 [0,0,0,1,0,1|1,0,0]=3 5625 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 Amb25146207 [0,0,0,1,0,1|1,0,0]=3 5626 B9R1.35 O=C1NC[C@H](C(=O)O)N1 Amb24079612 [0,0,0,1,0,1|1,0,0]=3 5627 B9R1.35 O=C1NC[C@H](C(=O)O)O1 Amb27771494 [0,0,0,1,0,1|1,0,0]=3 5628 B9R1.35 O=C1N[C@@H](C(=O)O)CO1 Amb24340149 [0,0,0,1,0,1|1,0,0]=3 5629 B9R1.35 O=C1N[C@@H](C(=O)O)CS1 Amb537246 [0,0,0,1,0,1|1,0,0]=3 5630 B9R1.35 O=C1N[C@H](C(=O)O)CO1 Amb19517080 [0,0,0,1,0,1|1,0,0]=3 5631 B9R1.35 O=C1N[C@H](C(=O)O)CS1 Amb1157856 [0,0,0,1,0,1|1,0,0]=3 5632 B9R1.35 O=C1OCC(C(=O)O)O1 Amb25767974 [0,0,0,1,0,1|1,0,0]=3 5633 B9R1.35 O=C1SCC(C(=O)Cl)S1 Amb27966772 [0,0,0,1,0,1|1,1,0]=4 5634 B9R1.35 O=C1SCC(C(=O)O)S1 Amb23504458 [0,0,0,1,0,1|1,0,0]=3 5635 B9R1.46 CC(=O)CCC1OC1C Amb28194562 [0,0,0,1,0,1|1,0,1]=4 5636 B9R1.46 CC1CC1CCC(=O)O Amb27220003 [0,0,0,1,0,1|1,0,1]=4 5637 B9R1.46 CC1CC1OCC(=O)O Amb33144889 [0,0,0,1,0,1|1,0,1]=4 5638 B9R1.46 O=C(O)CCC1=C(Br)C1 Amb27650642 [0,0,0,1,0,1|1,0,0]=3 5639 B9R1.49 C=C1CCCC(=O)NC1 Amb27252961 [0,0,0,1,0,1|2,0,0]=4 5640 B9R1.49 CC1=CCC(=O)CCC1 Amb27838790 [0,0,0,1,0,1|2,0,0]=4 5641 B9R1.49 CC1=CCCC(=O)CC1 Amb27948552 [0,0,0,1,0,1|2,0,0]=4 5642 B9R1.49 O=C1C=CC(=O)CCC1 Amb28351041 [0,0,0,1,0,1|1,0,1]=4 5643 B9R1.49 O=C1CCC(=O)COC1 Amb2707216 [0,0,0,1,0,1|1,0,0]=3 5644 B9R1.49 O=C1CCC(O)CCN1 Amb26443713 [0,0,0,1,0,1|1,0,1]=4 5645 B9R1.49 O=C1CCC(O)CCO1 Amb23598292 [0,0,0,1,0,1|1,0,1]=4 5646 B9R1.49 O=C1CCCC(O)CO1 Amb28138759 [0,0,0,1,0,1|0,0,2]=4 5647 B9R1.49 O=C1CCCS(=O)CC1 Amb26476534 [0,0,0,1,0,1|2,0,0]=4 5648 B9R1.49 O=C1CCC[C@H](O)CC1 Amb27838657 [0,0,0,1,0,1|1,0,1]=4 5649 B9R1.49 O=C1CCNC(=O)CC1 Amb22490261 [0,0,0,1,0,1|1,0,0]=3 5650 B9R1.49 O=C1CCS(=O)CCN1 Amb26480169 [0,0,0,1,0,1|2,0,0]=4 5651 B9R1.49 O=C1COC(=O)CCN1 Amb27168286 [0,0,0,1,0,1|0,0,0]=2 5652 B9R1.53 C=C1CC(CC(=O)O)C1 Amb35788335 [0,0,0,1,0,1|1,0,0]=3 5653 B9R1.53 C=C1CC(OC(C)=O)C1 Amb34165437 [0,0,0,1,0,1|2,0,0]=4 5654 B9R1.53 C=C1CN(CC(=O)O)C1 Amb30026788 [0,0,0,1,0,1|1,0,0]=3 5655 B9R1.53 CC(=O)CC1CC(=O)N1 Amb26593659 [0,0,0,1,0,1|1,0,0]=3 5656 B9R1.53 CC(=O)OC1CC(=O)C1 Amb21961279 [0,0,0,1,0,1|1,0,0]=3 5657 B9R1.53 CC(=O)OC1CC(=O)N1 Amb8383894 [0,0,0,1,0,1|1,0,0]=3 5658 B9R1.53 CC(=O)O[C@@H]1CC(=O)N1 Amb27961491 [0,0,0,1,0,1|1,0,0]=3 5659 B9R1.53 CC(=O)O[C@H]1C[C@@H](O)C1 Amb34156629 [0,0,0,1,0,1|1,0,1]=4 5660 B9R1.53 CC(=O)O[C@H]1C[C@H](O)C1 Amb25777769 [0,0,0,1,0,1|1,0,1]=4 5661 B9R1.53 CC(=O)SC1CC(=O)N1 Amb27225587 [0,0,0,1,0,1|1,0,0]=3 5662 B9R1.53 CC(O)CC1CC(=O)N1 Amb26596056 [0,0,0,1,0,1|1,0,1]=4 5663 B9R1.53 CC1CC(CC(=O)O)C1 Amb27461451 [0,0,0,1,0,1|1,0,1]=4 5664 B9R1.53 CC1CN(CC(=O)O)C1 Amb27838507 [0,0,0,1,0,1|1,0,1]=4 5665 B9R1.53 CC1CN(CC(=O)O)C1 Amb32661050 [0,0,0,1,0,1|1,0,1]=4 5666 B9R1.53 CN1CC(CC(=O)O)C1 Amb26596162 [0,0,0,1,0,1|2,0,0]=4 5667 B9R1.53 CN1CC(CC(=O)O)C1 Amb28895941 [0,0,0,1,0,1|2,0,0]=4 5668 B9R1.53 C[C@H]1C[C@H](CC(=O)O)C1 Amb27859343 [0,0,0,1,0,1|1,0,1]=4 5669 B9R1.53 NC(=O)CC1CC(=O)N1 Amb27186130 [0,0,0,1,0,1|1,0,0]=3 5670 B9R1.53 NC1CC(CC(=O)O)C1 Amb23440231 [0,0,0,1,0,1|1,0,1]=4 5671 B9R1.53 NC1CC(CC(=O)O)C1 Amb30585228 [0,0,0,1,0,1|1,0,1]=4 5672 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 Amb23440232 [0,0,0,1,0,1|1,0,1]=4 5673 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 Amb24056536 [0,0,0,1,0,1|1,0,1]=4 5674 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 Amb23440233 [0,0,0,1,0,1|1,0,1]=4 5675 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 Amb31291707 [0,0,0,1,0,1|1,0,1]=4 5676 B9R1.53 O=C(O)CC1CC(=O)C1 Amb27493654 [0,0,0,1,0,1|0,0,0]=2 5677 B9R1.53 O=C(O)CC1CC(=O)N1 Amb24351879 [0,0,0,1,0,1|0,0,0]=2 5678 B9R1.53 O=C(O)CC1CC(F)C1 Amb27186311 [0,0,0,1,0,1|1,0,1]=4 5679 B9R1.53 O=C(O)CN1CC(O)C1 Amb25339150 [0,0,0,1,0,1|0,0,2]=4 5680 B9R1.53 O=C(O)C[C@H]1C[C@@H](O)C1 Amb26043308 [0,0,0,1,0,1|0,0,2]=4 5681 B9R1.53 O=C(O)C[C@H]1C[C@H](O)C1 Amb25204858 [0,0,0,1,0,1|0,0,2]=4 5682 B9R1.66 CC1(C)CCCC(=O)O1 Amb25863489 [0,0,0,1,0,1|1,0,1]=4 5683 B9R1.66 CC1(C)CNCC(=O)O1 Amb28122961 [0,0,0,1,0,1|1,0,1]=4 5684 B9R1.66 CC1(O)CCCC(=O)C1 Amb28202235 [0,0,0,1,0,1|1,0,1]=4 5685 B9R1.66 CC1(O)CCOC(=O)C1 Amb2695275 [0,0,0,1,0,1|1,0,1]=4 5686 B9R1.66 CS1(=O)=NC(=O)NCC1 Amb33803183 [0,0,0,1,0,1|2,0,0]=4 5687 B9R1.66 C[C@@]1(O)CCOC(=O)C1 Amb22388612 [0,0,0,1,0,1|1,0,1]=4 5688 B9R1.66 C[Si]1(C)CCCC(=O)O1 Amb27845166 [0,0,0,1,0,1|1,1,0]=4 5689 B9R1.66 O=C1CCCS(=O)(=O)C1 Amb13953230 [0,0,0,1,0,1|1,0,1]=4 5690 B9R1.66 O=C1CS(=O)(=O)CCN1 Amb21912472 [0,0,0,1,0,1|1,0,1]=4 5691 B9R1.85 O=C(O)CCCC1CC1 Amb18832629 [0,0,0,1,0,1|1,0,1]=4 5692 B9R1.85 O=C(O)CCCC1CO1 Amb28453878 [0,0,0,1,0,1|0,0,2]=4 5693 B9R1.85 O=C(O)CCC[C@@H]1CO1 Amb27257665 [0,0,0,1,0,1|0,0,2]=4 5694 B9R1.85 O=C(O)CCNC1CC1 Amb1106410 [0,0,0,1,0,1|1,0,1]=4 5695 B9R1.85 O=C(O)CCNC1CC1 Amb532234 [0,0,0,1,0,1|1,0,1]=4 5696 B9R1.85 O=C(O)CCOC1CC1 Amb25926315 [0,0,0,1,0,1|1,0,1]=4 5697 B9R1.85 O=C(O)CNCC1CC1 Amb33038298 [0,0,0,1,0,1|1,0,1]=4 5698 B9R1.85 O=C(O)CNCC1CC1 Amb7766420 [0,0,0,1,0,1|1,0,1]=4 5699 B9R1.85 O=C(O)COCC1CC1 Amb6680905 [0,0,0,1,0,1|1,0,1]=4 5700 B9R1.85 O=C(O)CSCC1CC1 Amb9173460 [0,0,0,1,0,1|1,0,1]=4 5701 B9R1.161 C=C(C)C1CC1C(=O)O Amb25887453 [0,0,0,1,0,1|1,0,0]=3 5702 B9R1.161 C=C(C)C1OC1C(C)=O Amb24520738 [0,0,0,1,0,1|2,0,0]=4 5703 B9R1.161 C=C(C)[C@@H]1C[C@H]1C(=O)O Amb33199898 [0,0,0,1,0,1|1,0,0]=3 5704 B9R1.161 C=C(C)[C@@H]1O[C@@H]1C(C)=O Amb25163815 [0,0,0,1,0,1|2,0,0]=4 5705 B9R1.161 C=C(C)[C@H]1C[C@H]1C(C)=O Amb28054459 [0,0,0,1,0,1|2,0,0]=4 5706 B9R1.161 CC(=O)C1=NC1C(C)=O Amb25728261 [0,0,0,1,0,1|1,0,1]=4 5707 B9R1.161 CC(=O)C1CC1=C(C)C Amb27409612 [0,0,0,1,0,1|2,0,0]=4 5708 B9R1.161 CC(=O)C1CC1C(C)=O Amb27861276 [0,0,0,1,0,1|1,0,0]=3 5709 B9R1.161 CC(=O)C1OC1C(N)=O Amb28383609 [0,0,0,1,0,1|1,0,0]=3 5710 B9R1.161 CC(=O)[C@@H]1C[C@H]1C(C)=O Amb28246517 [0,0,0,1,0,1|1,0,0]=3 5711 B9R1.161 CC(=O)[C@@H]1O[C@@H]1C(N)=O Amb27194051 [0,0,0,1,0,1|1,0,0]=3 5712 B9R1.161 CC(=O)[C@H]1C[C@H]1C(C)=O Amb28248083 [0,0,0,1,0,1|1,0,0]=3 5713 B9R1.161 CC(C)C1CC1C(=O)O Amb18285139 [0,0,0,1,0,1|1,0,1]=4 5714 B9R1.161 CC(C)[C@@H]1C[C@H]1C(=O)O Amb33360310 [0,0,0,1,0,1|1,0,1]=4 5715 B9R1.161 CC(C)[C@@H]1O[C@H]1C(=O)O Amb28252782 [0,0,0,1,0,1|1,0,1]=4 5716 B9R1.161 CC(N)C1CC1C(=O)O Amb27441985 [0,0,0,1,0,1|1,0,1]=4 5717 B9R1.161 CC(O)C1CC1C(=O)O Amb25888760 [0,0,0,1,0,1|0,0,2]=4 5718 B9R1.161 CC(O)[C@@H]1C[C@@H]1C(=O)O Amb28457538 [0,0,0,1,0,1|0,0,2]=4 5719 B9R1.161 CC(O)[C@@H]1C[C@H]1C(=O)O Amb27489157 [0,0,0,1,0,1|0,0,2]=4 5720 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [0,0,0,1,0,1|1,0,0]=3 5721 B9R1.161 NC(=O)C1CC1C(N)=O Amb27661569 [0,0,0,1,0,1|2,0,0]=4 5722 B9R1.161 NC(=O)C1OC1C(=O)O Amb25695985 [0,0,0,1,0,1|1,0,0]=3 5723 B9R1.161 NC(=O)C1OC1C(N)=O Amb28287239 [0,0,0,1,0,1|2,0,0]=4 5724 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Amb24623178 [0,0,0,1,0,1|1,0,0]=3 5725 B9R1.161 NC(=O)[C@@H]1C[C@H]1C(=O)O Amb27447217 [0,0,0,1,0,1|1,0,0]=3 5726 B9R1.161 NC(=O)[C@H]1C[C@H]1C(=O)O Amb27436130 [0,0,0,1,0,1|1,0,0]=3 5727 B9R1.161 O=C(Cl)C1OC1C(=O)Cl Amb24060960 [0,0,0,1,0,1|2,0,0]=4 5728 B9R1.161 O=C(O)C1CC1C(=O)Cl Amb26959493 [0,0,0,1,0,1|1,0,0]=3 5729 B9R1.161 O=C(O)C1CC1C(=O)O Amb1350467 [0,0,0,1,0,1|1,0,0]=3 5730 B9R1.161 O=C(O)C1CC1[N+](=O)[O-] Amb9197005 [0,0,0,1,0,1|2,0,0]=4 5731 B9R1.161 O=C(O)C1OC1C(=O)O Amb4001391 [0,0,0,1,0,1|1,0,0]=3 5732 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Amb22901897 [0,0,0,1,0,1|1,0,0]=3 5733 B9R1.161 O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-] Amb25109456 [0,0,0,1,0,1|2,0,0]=4 5734 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O Amb22799776 [0,0,0,1,0,1|1,0,0]=3 5735 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O Amb25979295 [0,0,0,1,0,1|1,0,0]=3 5736 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] Amb26439479 [0,0,0,1,0,1|2,0,0]=4 5737 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Amb3442175 [0,0,0,1,0,1|1,0,0]=3 5738 B9R1.161 O=C(O)[C@H]1O[C@@H]1C(=O)O Amb22262951 [0,0,0,1,0,1|1,0,0]=3 5739 B9R1.161 O=C([O-])[C@@H]1N[C@H]1C(=O)[O-] Amb24120358 [0,0,0,1,0,1|1,0,1]=4 5740 B9R1.166 CC(=O)C1CNS1(=O)=O Amb27974034 [0,0,0,1,0,1|1,0,1]=4 5741 B9R1.166 CC1(C)CCC1C(=O)O Amb25032090 [0,0,0,1,0,1|1,0,1]=4 5742 B9R1.166 CC1(C)CNC1C(=O)O Amb24117326 [0,0,0,1,0,1|1,0,1]=4 5743 B9R1.166 CC1(C)CNC1C(=O)O Amb27253737 [0,0,0,1,0,1|1,0,1]=4 5744 B9R1.166 CC1(C)CN[C@@H]1C(=O)O Amb30869393 [0,0,0,1,0,1|1,0,1]=4 5745 B9R1.166 CC1(C)CN[C@H]1C(=O)O Amb34161295 [0,0,0,1,0,1|1,0,1]=4 5746 B9R1.166 CC1(C)COC1C(=O)O Amb8010835 [0,0,0,1,0,1|1,0,1]=4 5747 B9R1.166 O=C(O)C1CCS1(=O)=O Amb33309510 [0,0,0,1,0,1|2,0,0]=4 5748 B9R1.170 CC(=O)CC1CC1(C)O Amb28461242 [0,0,0,1,0,1|1,0,1]=4 5749 B9R1.170 CC1(C)CC1CC(=O)O Amb25145962 [0,0,0,1,0,1|1,0,1]=4 5750 B9R1.1 C#CC1=CCC(=O)CC1 Amb28249288 [0,1,0,1,0,0|2,0,0]=4 5751 B9R1.1 CC=C1CCC(=O)CC1 Amb28129794 [0,1,0,1,0,0|2,0,0]=4 5752 B9R1.1 COC1=NN=C(C)CC1 Amb24119171 [0,1,0,1,0,0|2,0,0]=4 5753 B9R1.1 COC1CCC(=O)CC1 Amb2385260 [0,1,0,1,0,0|1,0,1]=4 5754 B9R1.1 COC1CCC(=O)CO1 Amb27265592 [0,1,0,1,0,0|0,0,2]=4 5755 B9R1.1 CON1CCC(=O)CC1 Amb20670427 [0,1,0,1,0,0|2,0,0]=4 5756 B9R1.1 CO[C@@H]1CCC(=O)CO1 Amb27659850 [0,1,0,1,0,0|0,0,2]=4 5757 B9R1.1 N#CC1=CCC(=O)CC1 Amb27588804 [0,1,0,1,0,0|2,0,0]=4 5758 B9R1.1 O=C1CC=C(CO)CC1 Amb28253672 [0,1,0,1,0,0|1,0,0]=3 5759 B9R1.1 O=C1CCC(CO)CC1 Amb10071596 [0,1,0,1,0,0|1,0,1]=4 5760 B9R1.1 O=C1CC\C(=N/O)CN1 Amb27168983 [0,1,0,1,0,0|1,0,1]=4 5761 B9R1.1 O=CC1CCC(=O)CC1 Amb8385725 [0,1,0,1,0,0|1,0,1]=4 5762 B9R1.1 O=CN1CCC(=O)CC1 Amb33545539 [0,1,0,1,0,0|2,0,0]=4 5763 B9R1.1 O=S1CCC(=NO)CC1 Amb21988463 [0,1,0,1,0,0|2,0,0]=4 5764 B9R1.10 CC1(C)CCC(=O)OC1 Amb28120623 [0,1,0,1,0,0|1,0,1]=4 5765 B9R1.10 CC1(O)CCC(=O)CC1 Amb22235468 [0,1,0,1,0,0|1,0,1]=4 5766 B9R1.10 CP1(=O)CCC(=O)CC1 Amb26489398 [0,1,0,1,0,0|2,0,0]=4 5767 B9R1.10 N=S1(=O)CCC(=O)CC1 Amb28315233 [0,1,0,1,0,0|2,0,0]=4 5768 B9R1.10 O=C1CCP(=O)(O)CC1 Amb27838625 [0,1,0,1,0,0|1,0,0]=3 5769 B9R1.10 O=C1CCS(=O)(=O)CC1 Amb6358719 [0,1,0,1,0,0|1,0,1]=4 5770 B9R1.55 C=C(C)[C@@H]1NC(=O)[C@@H]1C Amb28129030 [0,1,0,1,0,0|2,0,0]=4 5771 B9R1.55 C=C1C[C@@H](C(=O)O)[C@H]1N Amb28055563 [0,1,0,1,0,0|1,0,0]=3 5772 B9R1.55 CC(C)[C@@H]1OC(=O)[C@H]1O Amb27196798 [0,1,0,1,0,0|1,0,1]=4 5773 B9R1.55 CC1CC(C(=O)O)N1C Amb28285280 [0,1,0,1,0,0|1,0,1]=4 5774 B9R1.55 CN1CC(C(=O)O)C1=O Amb17593354 [0,1,0,1,0,0|1,0,0]=3 5775 B9R1.55 CS(=O)[C@H]1NC(=O)[C@@H]1Cl Amb28458469 [0,1,0,1,0,0|2,0,0]=4 5776 B9R1.55 C[C@H]1CC(C(=O)O)[C@@H]1C Amb28132441 [0,1,0,1,0,0|1,0,1]=4 5777 B9R1.55 NC(=O)C1NC(=O)C1N Amb27445718 [0,1,0,1,0,0|2,0,0]=4 5778 B9R1.55 NC1C(=O)NC1C(=O)O Amb25871338 [0,1,0,1,0,0|1,0,0]=3 5779 B9R1.55 N[C@H]1[C@@H](C(=O)O)C[C@H]1O Amb27848566 [0,1,0,1,0,0|0,0,2]=4 5780 B9R1.67 NC(=O)CN1CCC1=O Amb28049662 [0,1,0,1,0,0|2,0,0]=4 5781 B9R1.67 O=C(O)CC1CCC1F Amb33351668 [0,1,0,1,0,0|1,0,1]=4 5782 B9R1.69 C=C1CCC(=O)NC1=O Amb26600967 [0,1,0,1,0,0|1,0,1]=4 5783 B9R1.69 CC1=C(C)NC(=O)CC1 Amb8394546 [0,1,0,1,0,0|2,0,0]=4 5784 B9R1.69 CC1=C(N)CCC(=O)N1 Amb27169262 [0,1,0,1,0,0|2,0,0]=4 5785 B9R1.69 CC1=CC(=O)C(O)CC1 Amb27838713 [0,1,0,1,0,0|1,0,1]=4 5786 B9R1.69 CC1=CC(=O)CCC1=O Amb28455194 [0,1,0,1,0,0|1,0,0]=3 5787 B9R1.69 CC1=CC(O)CCC1=O Amb27838743 [0,1,0,1,0,0|1,0,1]=4 5788 B9R1.69 CC1=CCC(=O)C[C@@H]1C Amb27434226 [0,1,0,1,0,0|2,0,0]=4 5789 B9R1.69 CC1=CNC(=O)OC1=O Amb28208149 [0,1,0,1,0,0|1,0,1]=4 5790 B9R1.69 CC1=NNC(=O)CC1C Amb33611535 [0,1,0,1,0,0|2,0,0]=4 5791 B9R1.69 CC1=N[C@@H](C)C(=O)OC1 Amb27656381 [0,1,0,1,0,0|2,0,0]=4 5792 B9R1.69 CC1CC(=O)C=CC1=O Amb27750328 [0,1,0,1,0,0|1,0,1]=4 5793 B9R1.69 CC1CC(=O)CCC1O Amb20171463 [0,1,0,1,0,0|1,0,1]=4 5794 B9R1.69 CC1CC(=O)CCS1=O Amb28461149 [0,1,0,1,0,0|2,0,0]=4 5795 B9R1.69 CC1CC(=O)OCC1O Amb27956456 [0,1,0,1,0,0|0,0,2]=4 5796 B9R1.69 CC1CCC(=O)C(O)C1 Amb25333970 [0,1,0,1,0,0|1,0,1]=4 5797 B9R1.69 CC1CCC(=O)CC1=O Amb24053090 [0,1,0,1,0,0|1,0,1]=4 5798 B9R1.69 CC1CCC(=O)CC1O Amb27180113 [0,1,0,1,0,0|1,0,1]=4 5799 B9R1.69 CC1CCC(=O)NC1=O Amb21963732 [0,1,0,1,0,0|1,0,1]=4 5800 B9R1.69 CC1CCC(=O)OC1=O Amb24117247 [0,1,0,1,0,0|0,0,1]=3 5801 B9R1.69 CC1CCC(O)=CC1=O Amb24532888 [0,1,0,1,0,0|1,0,1]=4 5802 B9R1.69 CC1NC(=O)CCC1=O Amb27874094 [0,1,0,1,0,0|1,0,0]=3 5803 B9R1.69 CC1NC(=O)CNC1=O Amb24477892 [0,1,0,1,0,0|2,0,0]=4 5804 B9R1.69 CC1NC(=O)COC1=O Amb20669551 [0,1,0,1,0,0|1,0,0]=3 5805 B9R1.69 CC1OC(=O)C=CC1=O Amb27948593 [0,1,0,1,0,0|0,0,2]=4 5806 B9R1.69 CC1OC(=O)CCC1Br Amb27875143 [0,1,0,1,0,0|1,0,1]=4 5807 B9R1.69 CC1OC(=O)COC1=O Amb27421415 [0,1,0,1,0,0|1,0,0]=3 5808 B9R1.69 CC1SCC(=O)OC1=O Amb2431035 [0,1,0,1,0,0|1,0,1]=4 5809 B9R1.69 CN1CC(=O)CCC1=O Amb23555663 [0,1,0,1,0,0|1,0,0]=3 5810 B9R1.69 CN1CC(=O)NCC1=O Amb24271107 [0,1,0,1,0,0|2,0,0]=4 5811 B9R1.69 CN1CC(O)CCC1=O Amb22304825 [0,1,0,1,0,0|1,0,1]=4 5812 B9R1.69 CN1CCC(=O)C(O)C1 Amb32649088 [0,1,0,1,0,0|2,0,0]=4 5813 B9R1.69 CN1CCC(=O)CC1=O Amb27154977 [0,1,0,1,0,0|2,0,0]=4 5814 B9R1.69 CN1CCC(=O)NC1=O Amb2389875 [0,1,0,1,0,0|2,0,0]=4 5815 B9R1.69 C[C@@H]1CC(=O)CC[C@H]1O Amb34913315 [0,1,0,1,0,0|1,0,1]=4 5816 B9R1.69 C[C@@H]1CCC(=O)C(O)C1 Amb27838716 [0,1,0,1,0,0|1,0,1]=4 5817 B9R1.69 C[C@@H]1CCC(=O)[C@H](O)C1 Amb27434293 [0,1,0,1,0,0|1,0,1]=4 5818 B9R1.69 C[C@@H]1NC(=O)CNC1=O Amb22233064 [0,1,0,1,0,0|2,0,0]=4 5819 B9R1.69 C[C@@H]1NC(=O)COC1=O Amb28059067 [0,1,0,1,0,0|1,0,0]=3 5820 B9R1.69 C[C@@H]1OC(O)CCC1=O Amb28351368 [0,1,0,1,0,0|0,0,2]=4 5821 B9R1.69 C[C@H]1COC(=O)C[C@@H]1O Amb27853905 [0,1,0,1,0,0|1,0,1]=4 5822 B9R1.69 C[C@H]1C[C@@H](C)COC1=O Amb27251551 [0,1,0,1,0,0|1,0,1]=4 5823 B9R1.69 C[C@H]1C[C@@H](O)CCC1=O Amb28253634 [0,1,0,1,0,0|1,0,1]=4 5824 B9R1.69 C[C@H]1NC(=O)CNC1=O Amb25726602 [0,1,0,1,0,0|2,0,0]=4 5825 B9R1.69 C[C@H]1OC(=O)C=CC1=O Amb28351021 [0,1,0,1,0,0|0,0,2]=4 5826 B9R1.69 NC1CC(O)CCC1=O Amb28430066 [0,1,0,1,0,0|1,0,1]=4 5827 B9R1.69 NC1CCC(=O)OC1=O Amb27838431 [0,1,0,1,0,0|1,0,1]=4 5828 B9R1.69 O=C1C=CC(=O)C(O)C1 Amb27191875 [0,1,0,1,0,0|0,0,2]=4 5829 B9R1.69 O=C1C=CC(=O)N(O)C1 Amb27227026 [0,1,0,1,0,0|0,0,2]=4 5830 B9R1.69 O=C1CCC(=O)C(Br)C1 Amb25775016 [0,1,0,1,0,0|1,0,0]=3 5831 B9R1.69 O=C1CCC(=O)C(Cl)C1 Amb24452362 [0,1,0,1,0,0|1,0,0]=3 5832 B9R1.69 O=C1CCC(=O)N(P)C1 Amb25854386 [0,1,0,1,0,0|1,0,0]=3 5833 B9R1.69 O=C1CCC(Br)C(=O)O1 Amb25680134 [0,1,0,1,0,0|1,0,1]=4 5834 B9R1.69 O=C1CCC(O)C(=O)C1 Amb27409551 [0,1,0,1,0,0|0,0,1]=3 5835 B9R1.69 O=C1CCC(O)CC1O Amb27494789 [0,1,0,1,0,0|0,0,2]=4 5836 B9R1.69 O=C1CCS(=O)CC1O Amb29847922 [0,1,0,1,0,0|1,0,0]=3 5837 B9R1.69 O=C1CC[C@H](O)C(=O)N1 Amb27954578 [0,1,0,1,0,0|1,0,1]=4 5838 B9R1.69 O=C1CNC(=O)C(Br)N1 Amb26341108 [0,1,0,1,0,0|2,0,0]=4 5839 B9R1.69 O=C1CNC(=O)C(O)N1 Amb27204459 [0,1,0,1,0,0|2,0,0]=4 5840 B9R1.78 CC1CC1CC(=O)NO Amb27981204 [0,1,0,1,0,0|1,0,1]=4 5841 B9R1.80 COC(=O)CCC1CO1 Amb25377501 [0,1,0,1,0,0|0,0,2]=4 5842 B9R1.80 NCC(=O)CCC1CO1 Amb33307827 [0,1,0,1,0,0|1,0,1]=4 5843 B9R1.80 O=C(CCC1CC1)NO Amb28248660 [0,1,0,1,0,0|1,0,1]=4 5844 B9R1.82 C=C1CC(C(=O)OC)C1 Amb21962131 [0,1,0,1,0,0|1,0,0]=3 5845 B9R1.82 C=C1CC(\C(N)=N\O)C1 Amb16231368 [0,1,0,1,0,0|2,0,0]=4 5846 B9R1.82 C=C1CN(C(=O)OC)C1 Amb35642031 [0,1,0,1,0,0|2,0,0]=4 5847 B9R1.82 C=CC(=O)N1CC(=O)C1 Amb27206624 [0,1,0,1,0,0|2,0,0]=4 5848 B9R1.82 CC(CO)C1CC(=O)O1 Amb28315511 [0,1,0,1,0,0|0,0,2]=4 5849 B9R1.82 CC1CC(C(=O)NO)C1 Amb27203488 [0,1,0,1,0,0|1,0,1]=4 5850 B9R1.82 CCC(Br)C1CC(=O)O1 Amb27636202 [0,1,0,1,0,0|1,0,1]=4 5851 B9R1.82 CNC(=O)C1CC(O)C1 Amb19888985 [0,1,0,1,0,0|1,0,1]=4 5852 B9R1.82 COC(=O)C1CC(=O)C1 Amb17597687 [0,1,0,1,0,0|0,0,0]=2 5853 B9R1.82 COC(=O)C1CC(=O)N1 Amb24711580 [0,1,0,1,0,0|1,0,0]=3 5854 B9R1.82 COC(=O)C1CC(Br)C1 Amb23439345 [0,1,0,1,0,0|1,0,1]=4 5855 B9R1.82 COC(=O)C1CC(C)C1 Amb25771219 [0,1,0,1,0,0|1,0,1]=4 5856 B9R1.82 COC(=O)C1CC(C)N1 Amb33743739 [0,1,0,1,0,0|1,0,1]=4 5857 B9R1.82 COC(=O)C1CC(C)N1 Amb33743758 [0,1,0,1,0,0|1,0,1]=4 5858 B9R1.82 COC(=O)C1CC(C)O1 Amb22737249 [0,1,0,1,0,0|0,0,2]=4 5859 B9R1.82 COC(=O)C1CC(Cl)C1 Amb21962427 [0,1,0,1,0,0|1,0,1]=4 5860 B9R1.82 COC(=O)C1CC(F)C1 Amb24480349 [0,1,0,1,0,0|1,0,1]=4 5861 B9R1.82 COC(=O)C1CC(N)C1 Amb20622659 [0,1,0,1,0,0|1,0,1]=4 5862 B9R1.82 COC(=O)C1CC(N)C1 Amb21963494 [0,1,0,1,0,0|1,0,1]=4 5863 B9R1.82 COC(=O)C1CC(O)C1 Amb19516177 [0,1,0,1,0,0|0,0,2]=4 5864 B9R1.82 COC(=O)[C@@H]1CC(=O)N1 Amb22747568 [0,1,0,1,0,0|1,0,0]=3 5865 B9R1.82 COC(=O)[C@@H]1CC(=S)N1 Amb24478569 [0,1,0,1,0,0|1,1,0]=4 5866 B9R1.82 COC(=O)[C@@H]1C[C@@H](C)O1 Amb24056487 [0,1,0,1,0,0|0,0,2]=4 5867 B9R1.82 COC(=O)[C@@H]1C[C@H](C)O1 Amb26885653 [0,1,0,1,0,0|0,0,2]=4 5868 B9R1.82 COC(=O)[C@H]1C[C@@H](Br)C1 Amb24361749 [0,1,0,1,0,0|1,0,1]=4 5869 B9R1.82 COC(=O)[C@H]1C[C@@H](Cl)C1 Amb25032105 [0,1,0,1,0,0|1,0,1]=4 5870 B9R1.82 COC(=O)[C@H]1C[C@@H](F)C1 Amb34152215 [0,1,0,1,0,0|1,0,1]=4 5871 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 Amb22757971 [0,1,0,1,0,0|1,0,1]=4 5872 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 Amb7970127 [0,1,0,1,0,0|1,0,1]=4 5873 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 Amb22754751 [0,1,0,1,0,0|0,0,2]=4 5874 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 Amb23439405 [0,1,0,1,0,0|1,0,1]=4 5875 B9R1.82 COC(=O)[C@H]1C[C@H](F)C1 Amb25870416 [0,1,0,1,0,0|1,0,1]=4 5876 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 Amb19148540 [0,1,0,1,0,0|1,0,1]=4 5877 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 Amb22747954 [0,1,0,1,0,0|1,0,1]=4 5878 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 Amb22746996 [0,1,0,1,0,0|0,0,2]=4 5879 B9R1.82 C[C@@H](C=O)C1CC(=O)N1 Amb28184488 [0,1,0,1,0,0|1,0,1]=4 5880 B9R1.82 NC1CC(C(=O)NO)C1 Amb29885636 [0,1,0,1,0,0|1,0,1]=4 5881 B9R1.82 NNC(=O)C1CC(=O)C1 Amb28049790 [0,1,0,1,0,0|1,0,0]=3 5882 B9R1.82 N[C@H]1C[C@@H](C(=O)NO)C1 Amb35594492 [0,1,0,1,0,0|1,0,1]=4 5883 B9R1.82 N[C@H]1C[C@H](C(=O)NO)C1 Amb35585941 [0,1,0,1,0,0|1,0,1]=4 5884 B9R1.82 O=C1CC(C(=O)NO)C1 Amb27163827 [0,1,0,1,0,0|0,0,0]=2 5885 B9R1.84 CC(=O)CCC1COC1 Amb27670151 [0,1,0,1,0,0|1,0,1]=4 5886 B9R1.84 O=C(O)CCC1CCC1 Amb8011305 [0,1,0,1,0,0|1,0,1]=4 5887 B9R1.84 O=C(O)CCC1CCO1 Amb28280741 [0,1,0,1,0,0|0,0,2]=4 5888 B9R1.84 O=C(O)CCN1CCC1 Amb22292346 [0,1,0,1,0,0|2,0,0]=4 5889 B9R1.84 O=C(O)CC[C@@H]1CCN1 Amb27439305 [0,1,0,1,0,0|1,0,1]=4 5890 B9R1.84 O=C(O)CN=C1CCC1 Amb28121224 [0,1,0,1,0,0|2,0,0]=4 5891 B9R1.86 CCC1CC1CC(=O)O Amb27249848 [0,1,0,1,0,0|1,0,1]=4 5892 B9R1.86 O=C(O)CC1CC1CF Amb27237859 [0,1,0,1,0,0|1,0,1]=4 5893 B9R1.95 C#CC1CC(C(=O)O)C1 Amb27168169 [0,1,0,1,0,0|1,0,1]=4 5894 B9R1.95 CC(=O)C1CC(C=O)C1 Amb32669290 [0,1,0,1,0,0|1,0,1]=4 5895 B9R1.95 CCC1CC(C(=O)O)C1 Amb23456004 [0,1,0,1,0,0|1,0,1]=4 5896 B9R1.95 CCN1CC(C(=O)O)C1 Amb24117130 [0,1,0,1,0,0|2,0,0]=4 5897 B9R1.95 CNC1CC(C(=O)O)C1 Amb20622656 [0,1,0,1,0,0|1,0,1]=4 5898 B9R1.95 CNC1CC(C(=O)O)C1 Amb32668940 [0,1,0,1,0,0|1,0,1]=4 5899 B9R1.95 CN[C@H]1C[C@@H](C(=O)O)C1 Amb28903920 [0,1,0,1,0,0|1,0,1]=4 5900 B9R1.95 CN[C@H]1C[C@@H](C(=O)O)C1 Amb32667482 [0,1,0,1,0,0|1,0,1]=4 5901 B9R1.95 COC1CC(C(=O)O)C1 Amb8011538 [0,1,0,1,0,0|0,0,2]=4 5902 B9R1.95 COC1CC(C(C)=O)C1 Amb24595933 [0,1,0,1,0,0|1,0,1]=4 5903 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 Amb23440276 [0,1,0,1,0,0|0,0,2]=4 5904 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 Amb23440277 [0,1,0,1,0,0|0,0,2]=4 5905 B9R1.95 N#CC1CC(C(=O)O)C1 Amb26049887 [0,1,0,1,0,0|1,0,1]=4 5906 B9R1.95 N#CN1CC(C(=O)O)C1 Amb35634495 [0,1,0,1,0,0|2,0,0]=4 5907 B9R1.95 NCC1CC(C(=O)O)C1 Amb26631130 [0,1,0,1,0,0|1,0,1]=4 5908 B9R1.95 NCC1CC(C(=O)O)C1 Amb31307793 [0,1,0,1,0,0|1,0,1]=4 5909 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 Amb34136858 [0,1,0,1,0,0|1,0,1]=4 5910 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 Amb34148892 [0,1,0,1,0,0|1,0,1]=4 5911 B9R1.95 NC[C@H]1C[C@H](C(=O)O)C1 Amb33715808 [0,1,0,1,0,0|1,0,1]=4 5912 B9R1.95 NN=C1CC(C(=O)O)C1 Amb23570285 [0,1,0,1,0,0|1,0,0]=3 5913 B9R1.95 O=C(O)C1CC(CBr)C1 Amb19958667 [0,1,0,1,0,0|1,0,1]=4 5914 B9R1.95 O=C(O)C1CC(CF)C1 Amb27186059 [0,1,0,1,0,0|1,0,1]=4 5915 B9R1.95 O=C(O)C1CC(CO)C1 Amb22002175 [0,1,0,1,0,0|0,0,2]=4 5916 B9R1.95 O=C(O)[C@H]1C[C@H](CO)C1 Amb34162163 [0,1,0,1,0,0|0,0,2]=4 5917 B9R1.95 O=C[C@H]1C[C@@H](C(=O)O)C1 Amb33309677 [0,1,0,1,0,0|0,0,1]=3 5918 B9R1.125 C=CC1(C)CCC(=O)O1 Amb29849361 [0,1,0,1,0,0|1,0,1]=4 5919 B9R1.125 CC1(C=O)CCC(=O)C1 Amb28285173 [0,1,0,1,0,0|1,0,1]=4 5920 B9R1.125 CC1(C=O)CCC(=O)N1 Amb28364896 [0,1,0,1,0,0|1,0,1]=4 5921 B9R1.125 CC1(C=O)CCC(=O)O1 Amb28348513 [0,1,0,1,0,0|0,0,1]=3 5922 B9R1.125 CC1(CN)CCC(=O)O1 Amb27815595 [0,1,0,1,0,0|1,0,1]=4 5923 B9R1.125 C[C@@]1(C=O)CCC(=O)C1 Amb27798280 [0,1,0,1,0,0|1,0,1]=4 5924 B9R1.127 C#CC1(C)CC1C(=O)O Amb4041187 [0,1,0,1,0,0|1,0,1]=4 5925 B9R1.127 CC1(CN)CC1C(=O)O Amb27481579 [0,1,0,1,0,0|1,0,1]=4 5926 B9R1.127 CCC1(C)CC1C(=O)O Amb18285802 [0,1,0,1,0,0|1,0,1]=4 5927 B9R1.138 CC1(O)CCC(=O)C1O Amb28128781 [0,1,0,1,0,0|0,0,2]=4 5928 B9R1.138 CC1C(=O)CCS1(=O)=O Amb27751418 [0,1,0,1,0,0|1,0,1]=4 5929 B9R1.138 C[C@H]1C(=O)CC[C@@]1(C)O Amb28194858 [0,1,0,1,0,0|1,0,1]=4 5930 B9R1.138 O=C1CCS(=O)(=O)C1Br Amb24122669 [0,1,0,1,0,0|1,0,1]=4 5931 B9R1.147 CC1(CCC(=O)O)CC1 Amb8009614 [0,1,0,1,0,0|1,0,1]=4 5932 B9R1.147 CC1(CCC(=O)O)N=N1 Amb25840850 [0,1,0,1,0,0|1,0,1]=4 5933 B9R1.147 NC1(CCC(=O)O)CC1 Amb18832570 [0,1,0,1,0,0|1,0,1]=4 5934 B9R1.147 O=C(O)CCC1(Cl)CC1 Amb25865061 [0,1,0,1,0,0|1,0,1]=4 5935 B9R1.147 O=C(O)CCC1(F)CC1 Amb27423404 [0,1,0,1,0,0|1,0,1]=4 5936 B9R1.147 O=C(O)CCC1(O)CC1 Amb28325490 [0,1,0,1,0,0|0,0,2]=4 5937 B9R1.185 COC(=O)C1CC1(C)C Amb25762943 [0,1,0,1,0,0|1,0,1]=4 5938 B9R1.36 CC1(C)CC(N)C(=O)O1 Amb18124322 [0,1,0,1,0,0|1,0,1]=4 5939 B9R1.36 CC1(C)CC(N)C(=O)O1 Amb32674857 [0,1,0,1,0,0|1,0,1]=4 5940 B9R1.36 CC1(C)C[C@@H](N)C(=O)O1 Amb28196700 [0,1,0,1,0,0|1,0,1]=4 5941 B9R1.36 CC1(C)C[C@@H](O)C(=O)O1 Amb27472564 [0,1,0,1,0,0|1,0,1]=4 5942 B9R1.36 CC1(C)C[C@H](N)C(=O)O1 Amb24476611 [0,1,0,1,0,0|1,0,1]=4 5943 B9R1.36 CC1(C)C[C@H](O)C(=O)O1 Amb28205922 [0,1,0,1,0,0|1,0,1]=4 5944 B9R1.36 CC1CC(C)(C)OC1=O Amb24444118 [0,1,0,1,0,0|1,0,1]=4 5945 B9R1.36 O=C1CS(=O)(=O)CC1Cl Amb7089603 [0,1,0,1,0,0|1,0,1]=4 5946 B9R1.38 CC1(C)OC(=O)C[C@H]1O Amb27208228 [0,1,0,1,0,0|1,0,1]=4 5947 B9R1.38 CC1CC(=O)OC1(C)C Amb28206444 [0,1,0,1,0,0|1,0,1]=4 5948 B9R1.44 CC(=O)CC1(C)OC1C Amb28054341 [0,1,0,1,0,0|1,0,1]=4 5949 B9R1.44 CC1(CC(=O)O)CC1F Amb32664391 [0,1,0,1,0,0|1,0,1]=4 5950 B9R1.44 CC1CC1(N)CC(=O)O Amb27816522 [0,1,0,1,0,0|1,0,1]=4 5951 B9R1.45 C=C1CC1C(N)C(=O)O Amb24117258 [0,1,0,1,0,0|1,0,0]=3 5952 B9R1.45 C=C1CC1C(N)C(=O)O Amb27489118 [0,1,0,1,0,0|1,0,0]=3 5953 B9R1.45 C=C1CC1C(O)C(=O)O Amb27816361 [0,1,0,1,0,0|1,0,0]=3 5954 B9R1.45 C=C1C[C@@H]1C(O)C(=O)O Amb28410295 [0,1,0,1,0,0|1,0,0]=3 5955 B9R1.45 C=C1C[C@@H]1[C@H](N)C(=O)O Amb28349320 [0,1,0,1,0,0|1,0,0]=3 5956 B9R1.45 CC1CC1C(C)C(=O)O Amb25708709 [0,1,0,1,0,0|1,0,1]=4 5957 B9R1.45 CC1CC1C(N)C(=O)O Amb33359576 [0,1,0,1,0,0|1,0,1]=4 5958 B9R1.45 CC1CC1C(O)C(=O)O Amb33474336 [0,1,0,1,0,0|1,0,1]=4 5959 B9R1.112 CC(CC1CC1)C(=O)O Amb28075498 [0,1,0,1,0,0|1,0,1]=4 5960 B9R1.112 C[C@@H](CC1CC1)C(=O)O Amb10844014 [0,1,0,1,0,0|1,0,1]=4 5961 B9R1.112 C[C@H](CC1CC1)C(=O)O Amb33749387 [0,1,0,1,0,0|1,0,1]=4 5962 B9R1.112 NC(CC1CC1)C(=O)O Amb23399727 [0,1,0,1,0,0|1,0,1]=4 5963 B9R1.112 NC(CC1CC1)C(=O)O Amb4019455 [0,1,0,1,0,0|1,0,1]=4 5964 B9R1.112 N[C@@H](CC1CC1)C(=O)O Amb24329024 [0,1,0,1,0,0|1,0,1]=4 5965 B9R1.112 N[C@@H](C[C@H]1CO1)C(=O)O Amb28252257 [0,1,0,1,0,0|0,0,2]=4 5966 B9R1.112 N[C@H](CC1CC1)C(=O)O Amb2699114 [0,1,0,1,0,0|1,0,1]=4 5967 B9R1.112 O=C(O)C(F)CC1CC1 Amb27838541 [0,1,0,1,0,0|1,0,1]=4 5968 B9R1.112 O=C(O)C(O)CC1CC1 Amb25082516 [0,1,0,1,0,0|1,0,1]=4 5969 B9R1.112 O=C(O)C(S)CC1CC1 Amb18296302 [0,1,0,1,0,0|1,0,1]=4 5970 B9R1.112 O=C(O)[C@@H](O)CC1CC1 Amb23401512 [0,1,0,1,0,0|1,0,1]=4 5971 B9R1.112 O=C(O)[C@H](O)CC1CC1 Amb26014645 [0,1,0,1,0,0|1,0,1]=4 5972 B9R1.137 CC(CC(=O)O)C1CC1 Amb6749210 [0,1,0,1,0,0|1,0,1]=4 5973 B9R1.137 NC(CC(=O)O)C1CC1 Amb2683273 [0,1,0,1,0,0|1,0,1]=4 5974 B9R1.137 N[C@@H](CC(=O)O)C1CC1 Amb26989123 [0,1,0,1,0,0|1,0,1]=4 5975 B9R1.137 N[C@@H](CC(=O)O)C1CC1 Amb33329309 [0,1,0,1,0,0|1,0,1]=4 5976 B9R1.137 N[C@H](CC(=O)O)C1CC1 Amb24349802 [0,1,0,1,0,0|1,0,1]=4 5977 B9R1.137 N[C@H](CC(=O)O)C1CC1 Amb33329112 [0,1,0,1,0,0|1,0,1]=4 5978 B9R1.137 O=C(O)CC(O)C1CC1 Amb17231863 [0,1,0,1,0,0|1,0,1]=4 5979 B9R1.137 O=C(O)C[C@@H](O)C1CC1 Amb25367343 [0,1,0,1,0,0|1,0,1]=4 5980 B9R1.137 O=C(O)C[C@H](O)C1CC1 Amb27468740 [0,1,0,1,0,0|1,0,1]=4 5981 B9R1.139 CC1(C)C(Br)C1C(=O)O Amb28078793 [0,1,0,1,0,0|1,0,1]=4 5982 B9R1.139 CC1(C)C(C(=O)O)[C@H]1Cl Amb28043135 [0,1,0,1,0,0|1,0,1]=4 5983 B9R1.139 CC1(C)C(O)C1C(=O)O Amb27642274 [0,1,0,1,0,0|1,0,1]=4 5984 B9R1.139 C[C@@H]1[C@@H](C(=O)O)C1(C)C Amb27247272 [0,1,0,1,0,0|1,0,1]=4 5985 B9R1.139 C[C@H]1[C@@H](C(=O)O)C1(C)C Amb28429827 [0,1,0,1,0,0|1,0,1]=4 5986 B9R1.152 C=C(C)C1(C)CC(=O)N1 Amb25791049 [0,1,0,1,0,0|2,0,0]=4 5987 B9R1.152 C=C1CC(C)(C(=O)O)C1 Amb25887446 [0,1,0,1,0,0|1,0,0]=3 5988 B9R1.152 C=C1CC(N)(C(=O)O)C1 Amb34145346 [0,1,0,1,0,0|1,0,0]=3 5989 B9R1.152 C=C1CC(O)(C(=O)O)C1 Amb28201676 [0,1,0,1,0,0|1,0,0]=3 5990 B9R1.152 CC1(C(=O)O)CC(=O)C1 Amb22406208 [0,1,0,1,0,0|0,0,0]=2 5991 B9R1.152 CC1(C(=O)O)CC(Cl)C1 Amb27460159 [0,1,0,1,0,0|1,0,1]=4 5992 B9R1.152 CC1(C(=O)O)CC(F)C1 Amb32906768 [0,1,0,1,0,0|1,0,1]=4 5993 B9R1.152 CC1(C(=O)O)CC(N)C1 Amb25889781 [0,1,0,1,0,0|1,0,1]=4 5994 B9R1.152 CC1(C(=O)O)CC(N)C1 Amb33456976 [0,1,0,1,0,0|1,0,1]=4 5995 B9R1.152 CC1(C(=O)O)CC(O)C1 Amb33361249 [0,1,0,1,0,0|0,0,2]=4 5996 B9R1.152 CC1CC(C)(C(=O)O)C1 Amb23448860 [0,1,0,1,0,0|1,0,1]=4 5997 B9R1.152 CC1CC(N)(C(=O)O)C1 Amb25821754 [0,1,0,1,0,0|1,0,1]=4 5998 B9R1.152 CC1CC(N)(C(=O)O)C1 Amb30585229 [0,1,0,1,0,0|1,0,1]=4 5999 B9R1.152 CN1CC(C)(C(=O)O)C1 Amb27264651 [0,1,0,1,0,0|2,0,0]=4 6000 B9R1.152 CN1CC(N)(C(=O)O)C1 Amb28312895 [0,1,0,1,0,0|2,0,0]=4 6001 B9R1.152 CN1CC(O)(C(=O)O)C1 Amb28347279 [0,1,0,1,0,0|2,0,0]=4 6002 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 Amb23440223 [0,1,0,1,0,0|1,0,1]=4 6003 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 Amb24730954 [0,1,0,1,0,0|1,0,1]=4 6004 B9R1.152 C[C@]1(C(=O)O)C[C@H](N)C1 Amb23439475 [0,1,0,1,0,0|1,0,1]=4 6005 B9R1.152 C[C@]1(C(=O)O)C[C@H](N)C1 Amb25275111 [0,1,0,1,0,0|1,0,1]=4 6006 B9R1.152 NC1(C(=O)O)CC(F)C1 Amb26579071 [0,1,0,1,0,0|1,0,1]=4 6007 B9R1.152 NC1(C(=O)O)CC(F)C1 Amb30585191 [0,1,0,1,0,0|1,0,1]=4 6008 B9R1.152 NC1(C(=O)O)CC(O)C1 Amb26585144 [0,1,0,1,0,0|0,0,2]=4 6009 B9R1.152 NC1(C(=O)O)CC(O)C1 Amb28992378 [0,1,0,1,0,0|0,0,2]=4 6010 B9R1.152 NC1CC(F)(C(=O)O)C1 Amb25784332 [0,1,0,1,0,0|1,0,1]=4 6011 B9R1.152 NC1CC(F)(C(=O)O)C1 Amb33484269 [0,1,0,1,0,0|1,0,1]=4 6012 B9R1.152 NC1CC(O)(C(=O)O)C1 Amb27194402 [0,1,0,1,0,0|1,0,1]=4 6013 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 Amb26959446 [0,1,0,1,0,0|1,0,1]=4 6014 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 Amb32655998 [0,1,0,1,0,0|1,0,1]=4 6015 B9R1.152 N[C@]1(C(=O)O)C[C@H](F)C1 Amb22746505 [0,1,0,1,0,0|1,0,1]=4 6016 B9R1.152 N[C@]1(C(=O)O)C[C@H](O)C1 Amb25297893 [0,1,0,1,0,0|0,0,2]=4 6017 B9R1.152 N[C@]1(C(=O)O)C[C@H](O)C1 Amb32679390 [0,1,0,1,0,0|0,0,2]=4 6018 B9R1.152 O=C(O)C1(F)CC(F)C1 Amb34162941 [0,1,0,1,0,0|1,0,1]=4 6019 B9R1.152 O=C(O)C1(F)CC(O)C1 Amb34142466 [0,1,0,1,0,0|0,0,2]=4 6020 B9R1.152 O=C(O)[C@]1(F)C[C@@H](O)C1 Amb34912853 [0,1,0,1,0,0|0,0,2]=4 6021 B9R1.152 O=C(O)[C@]1(F)C[C@H](O)C1 Amb34161934 [0,1,0,1,0,0|0,0,2]=4 6022 B9R1.152 O=C(O)[C@]1(O)C[C@@H](O)C1 Amb34147022 [0,1,0,1,0,0|0,0,2]=4 6023 B9R1.152 O=C(O)[C@]1(O)C[C@H](O)C1 Amb34136524 [0,1,0,1,0,0|0,0,2]=4 6024 B9R1.152 O=C1CC(F)(C(=O)O)C1 Amb34136578 [0,1,0,1,0,0|0,0,0]=2 6025 B9R1.164 CC(=O)C1CC(C)(O)C1 Amb25773446 [0,1,0,1,0,0|1,0,1]=4 6026 B9R1.164 CC1(C)CC(C(=O)O)C1 Amb33542624 [0,1,0,1,0,0|1,0,1]=4 6027 B9R1.164 CC1(C)CC(C(=O)O)N1 Amb24117447 [0,1,0,1,0,0|1,0,1]=4 6028 B9R1.164 CC1(Cl)CC(C(=O)O)C1 Amb28364447 [0,1,0,1,0,0|1,0,1]=4 6029 B9R1.164 CC1(F)CC(C(=O)O)C1 Amb23439467 [0,1,0,1,0,0|1,0,1]=4 6030 B9R1.164 CC1(O)CC(C(=O)O)C1 Amb33545096 [0,1,0,1,0,0|0,0,2]=4 6031 B9R1.164 C[C@]1(Cl)C[C@@H](C(=O)O)C1 Amb27170444 [0,1,0,1,0,0|1,0,1]=4 6032 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 Amb26394027 [0,1,0,1,0,0|1,0,1]=4 6033 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 Amb28350729 [0,1,0,1,0,0|1,0,1]=4 6034 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 Amb23440037 [0,1,0,1,0,0|0,0,2]=4 6035 B9R1.164 C[C@]1(O)C[C@H](C(=O)O)C1 Amb23440038 [0,1,0,1,0,0|0,0,2]=4 6036 B9R1.164 O=C(O)C1CC(Br)(Br)C1 Amb32687813 [0,1,0,1,0,0|1,0,1]=4 6037 B9R1.164 O=C(O)C1CC(Cl)(Cl)C1 Amb27759559 [0,1,0,1,0,0|1,0,1]=4 6038 B9R1.164 O=C(O)C1CC(F)(F)C1 Amb6252612 [0,1,0,1,0,0|1,0,1]=4 6039 B9R1.164 O=C(O)C1CC(O)(O)C1 Amb27490909 [0,1,0,1,0,0|0,0,2]=4 6040 B9R1.164 O=C(O)C1CP(=O)(O)C1 Amb4297467 [0,1,0,1,0,0|1,0,0]=3 6041 B9R1.164 O=C(O)C1CS(=O)(=O)C1 Amb8439029 [0,1,0,1,0,0|1,0,0]=3 6042 B9R1.169 CC1(Br)CC1(C)C(=O)O Amb27792919 [0,1,0,1,0,0|1,0,1]=4 6043 B9R1.169 CC1(C)CC1(N)C(=O)O Amb35788491 [0,1,0,1,0,0|1,0,1]=4 6044 B9R1.169 CC1(C)CC1(N)C(=O)O Amb4296872 [0,1,0,1,0,0|1,0,1]=4 6045 B9R1.169 CC1(C)C[C@@]1(N)C(=O)O Amb4296946 [0,1,0,1,0,0|1,0,1]=4 6046 B9R1.169 C[C@]1(Br)C[C@@]1(C)C(=O)O Amb27419957 [0,1,0,1,0,0|1,0,1]=4 6047 B9R1.51 CS(=O)(=O)C1CC(=O)C1 Amb32671836 [0,1,0,1,0,0|1,0,1]=4 6048 B9R1.51 NS(=O)(=O)C1CC(=O)C1 Amb32684160 [0,1,0,1,0,0|1,0,1]=4 6049 B9R1.51 O=C1CC(S(=O)(=O)Cl)C1 Amb32670719 [0,1,0,1,0,0|1,0,1]=4 6050 B9R1.51 O=C1CC(S(=O)(=O)F)C1 Amb32685660 [0,1,0,1,0,0|1,0,1]=4 6051 B9R2.19 O=C1CCC2CC1O2 Amb22364973 [0,0,0,2,0,0|1,0,1]=4 6052 B9R2.21 O=C1CCC2CC2O1 Amb27422131 [0,0,0,2,0,0|1,0,1]=4 6053 B9R2.35 CC1=C[C@@H]2C(=O)N[C@H]12 Amb28133669 [0,0,0,2,0,0|2,0,0]=4 6054 B9R2.40 CC12CCC(=O)C1O2 Amb28048967 [0,0,0,2,0,0|1,0,1]=4 6055 B9R2.150 O=C(O)C1CC2CC21 Amb25049722 [0,0,0,2,0,0|1,0,1]=4 6056 B9R2.41 O=C1CC(C2CO2)O1 Amb28250347 [0,0,0,2,0,0|0,0,2]=4 6057 B9R2.145 O=C(O)C12CC(C1)C2 Amb22493631 [0,0,0,2,0,0|1,0,1]=4 6058 B9R2.143 O=C(O)C1CC12CC2 Amb8010165 [0,0,0,2,0,0|1,0,1]=4 6059 B9R2.143 O=C(O)[C@@H]1CC12CC2 Amb28071386 [0,0,0,2,0,0|1,0,1]=4 6060 B5R0.5 C=C(Br)C(=O)O Amb20620403 [0,0,0,0,2,0|1,0,1]=4 6061 B5R0.5 C=C(Br)C(C)=O Amb17593709 [0,0,0,0,2,0|2,0,0]=4 6062 B5R0.5 C=C(C)C(=O)Cl Amb534203 [0,0,0,0,2,0|2,0,0]=4 6063 B5R0.5 C=C(C)C(=O)O Amb6608998 [0,0,0,0,2,0|1,0,0]=3 6064 B5R0.5 C=C(C)C(C)=O Amb17593021 [0,0,0,0,2,0|2,0,0]=4 6065 B5R0.5 C=C(C)C(N)=O Amb6609019 [0,0,0,0,2,0|2,0,0]=4 6066 B5R0.5 C=C(Cl)C(=O)O Amb17933971 [0,0,0,0,2,0|1,0,1]=4 6067 B5R0.5 C=C(Cl)C(C)=O Amb28284771 [0,0,0,0,2,0|2,0,0]=4 6068 B5R0.5 C=C(F)C(=O)O Amb2688008 [0,0,0,0,2,0|1,0,1]=4 6069 B5R0.5 C=C(F)C(C)=O Amb17593032 [0,0,0,0,2,0|2,0,0]=4 6070 B5R0.5 CC(=O)C(=N)N Amb24409561 [0,0,0,0,2,0|2,0,0]=4 6071 B5R0.5 CC(=O)C(=O)Cl Amb17593107 [0,0,0,0,2,0|1,0,0]=3 6072 B5R0.5 CC(=O)C(=O)O Amb932807 [0,0,0,0,2,0|0,0,0]=2 6073 B5R0.5 CC(=O)C(=O)[O-] Amb22043412 [0,0,0,0,2,0|0,0,1]=3 6074 B5R0.5 CC(=O)C(C)=O Amb6608675 [0,0,0,0,2,0|1,0,0]=3 6075 B5R0.5 CC(=O)C(C)=S Amb27632834 [0,0,0,0,2,0|1,1,0]=4 6076 B5R0.5 CC(=O)C(C)O Amb6608962 [0,0,0,0,2,0|1,0,1]=4 6077 B5R0.5 CC(=O)C(N)=O Amb17593028 [0,0,0,0,2,0|1,0,0]=3 6078 B5R0.5 CC(=O)C(N)=S Amb33528965 [0,0,0,0,2,0|1,1,0]=4 6079 B5R0.5 CC(=O)C(O)O Amb22436762 [0,0,0,0,2,0|0,0,2]=4 6080 B5R0.5 CC(=O)N(C)O Amb24066817 [0,0,0,0,2,0|2,0,0]=4 6081 B5R0.5 CC(=S)C(=O)O Amb27424126 [0,0,0,0,2,0|0,1,0]=3 6082 B5R0.5 CC(Br)C(=O)O Amb2795764 [0,0,0,0,2,0|1,0,1]=4 6083 B5R0.5 CC(C)C(=O)O Amb3939822 [0,0,0,0,2,0|1,0,1]=4 6084 B5R0.5 CC(Cl)C(=O)O Amb3940363 [0,0,0,0,2,0|1,0,1]=4 6085 B5R0.5 CC(F)C(=O)O Amb10605770 [0,0,0,0,2,0|1,0,1]=4 6086 B5R0.5 CC(I)C(=O)O Amb26450528 [0,0,0,0,2,0|1,0,1]=4 6087 B5R0.5 CC(N)C(=O)O Amb32724352 [0,0,0,0,2,0|1,0,1]=4 6088 B5R0.5 CC(N)C(=O)O Amb5716847 [0,0,0,0,2,0|1,0,1]=4 6089 B5R0.5 CC(O)C(=O)O Amb9703100 [0,0,0,0,2,0|0,0,2]=4 6090 B5R0.5 CC(S)C(=O)O Amb6608753 [0,0,0,0,2,0|0,1,1]=4 6091 B5R0.5 CN(C)C(=O)O Amb22348477 [0,0,0,0,2,0|2,0,0]=4 6092 B5R0.5 C[C@@H](Br)C(=O)O Amb8515030 [0,0,0,0,2,0|1,0,1]=4 6093 B5R0.5 C[C@@H](Cl)C(=O)O Amb2725594 [0,0,0,0,2,0|1,0,1]=4 6094 B5R0.5 C[C@@H](I)C(=O)O Amb27878762 [0,0,0,0,2,0|1,0,1]=4 6095 B5R0.5 C[C@@H](N)C(=O)O Amb3940457 [0,0,0,0,2,0|1,0,1]=4 6096 B5R0.5 C[C@@H](O)C(=O)O Amb6600026 [0,0,0,0,2,0|0,0,2]=4 6097 B5R0.5 C[C@H](Br)C(=O)O Amb8515029 [0,0,0,0,2,0|1,0,1]=4 6098 B5R0.5 C[C@H](Cl)C(=O)O Amb17776586 [0,0,0,0,2,0|1,0,1]=4 6099 B5R0.5 C[C@H](F)C(=O)O Amb27216697 [0,0,0,0,2,0|1,0,1]=4 6100 B5R0.5 C[C@H](N)C(=O)O Amb33780861 [0,0,0,0,2,0|1,0,1]=4 6101 B5R0.5 C[C@H](N)C(=O)O Amb6298336 [0,0,0,0,2,0|1,0,1]=4 6102 B5R0.5 C[C@H](O)C(=O)O Amb8386374 [0,0,0,0,2,0|0,0,2]=4 6103 B5R0.5 C[C@H](S)C(=O)O Amb25147510 [0,0,0,0,2,0|0,1,1]=4 6104 B5R0.5 N=C(S)C(=O)O Amb18640468 [0,0,0,0,2,0|1,1,0]=4 6105 B5R0.5 NC(=O)C(=O)O Amb32666615 [0,0,0,0,2,0|1,0,0]=3 6106 B5R0.5 NC(=O)C(=O)O Amb3940455 [0,0,0,0,2,0|1,0,0]=3 6107 B5R0.5 NC(=O)C(=O)[O-] Amb22053860 [0,0,0,0,2,0|1,0,1]=4 6108 B5R0.5 NC(=O)C(=O)[O-] Amb22730546 [0,0,0,0,2,0|1,0,1]=4 6109 B5R0.5 NC(=O)C(N)=O Amb3886526 [0,0,0,0,2,0|2,0,0]=4 6110 B5R0.5 O=C(Br)C(=O)Br Amb8513454 [0,0,0,0,2,0|2,0,0]=4 6111 B5R0.5 O=C(Cl)C(=O)Cl Amb2793009 [0,0,0,0,2,0|2,0,0]=4 6112 B5R0.5 O=C(F)C(=O)F Amb10840380 [0,0,0,0,2,0|2,0,0]=4 6113 B5R0.5 O=C(O)C(=O)Br Amb27863598 [0,0,0,0,2,0|1,0,0]=3 6114 B5R0.5 O=C(O)C(=O)O Amb10608980 [0,0,0,0,2,0|1,0,0]=3 6115 B5R0.5 O=C(O)C(=O)O Amb19374136 [0,0,0,0,2,0|1,0,0]=3 6116 B5R0.5 O=C(O)C(=O)O Amb22231343 [0,0,0,0,2,0|1,0,0]=3 6117 B5R0.5 O=C(O)C(=O)O Amb22394874 [0,0,0,0,2,0|1,0,0]=3 6118 B5R0.5 O=C(O)C(=O)O Amb22436461 [0,0,0,0,2,0|1,0,0]=3 6119 B5R0.5 O=C(O)C(=O)O Amb7755827 [0,0,0,0,2,0|1,0,0]=3 6120 B5R0.5 O=C(O)C(=O)O Amb8513282 [0,0,0,0,2,0|1,0,0]=3 6121 B5R0.5 O=C([O-])C(=O)[O-] Amb17943075 [0,0,0,0,2,0|1,0,1]=4 6122 B5R0.5 O=C([O-])C(=O)[O-] Amb21963194 [0,0,0,0,2,0|1,0,1]=4 6123 B5R0.5 O=C([O-])C(=O)[O-] Amb22002099 [0,0,0,0,2,0|1,0,1]=4 6124 B5R0.5 O=C([O-])C(=O)[O-] Amb22045394 [0,0,0,0,2,0|1,0,1]=4 6125 B5R0.5 O=C([O-])C(=O)[O-] Amb22053543 [0,0,0,0,2,0|1,0,1]=4 6126 B5R0.5 O=C([O-])C(=O)[O-] Amb22053547 [0,0,0,0,2,0|1,0,1]=4 6127 B5R0.5 O=C([O-])C(=O)[O-] Amb8514326 [0,0,0,0,2,0|1,0,1]=4 6128 B5R0.5 O=C([O-])C(=O)[O-] Amb8514363 [0,0,0,0,2,0|1,0,1]=4 6129 B5R0.5 O=C([O-])C(=O)[O-] Amb8514364 [0,0,0,0,2,0|1,0,1]=4 6130 B5R0.5 O=C([S-])C(=O)[S-] Amb22730472 [0,0,0,0,2,0|1,1,0]=4 6131 B9R0.55 C=C(C)CCNCC(N)=O Amb27615175 [0,0,0,0,0,2|2,0,0]=4 6132 B9R0.55 C=C(C)CCOCC(C)=O Amb28318908 [0,0,0,0,0,2|2,0,0]=4 6133 B9R0.55 C=C(C)CCOCC(N)=O Amb28282201 [0,0,0,0,0,2|2,0,0]=4 6134 B9R0.55 C=C(C)CCONC(C)=O Amb28072263 [0,0,0,0,0,2|2,0,0]=4 6135 B9R0.55 C=C(C)CCSCC(C)=O Amb27469207 [0,0,0,0,0,2|2,0,0]=4 6136 B9R0.55 C=C(C)CC\C=C\C(=O)O Amb27253611 [0,0,0,0,0,2|1,0,0]=3 6137 B9R0.55 C=C(C)COCCC(=O)O Amb27882463 [0,0,0,0,0,2|1,0,0]=3 6138 B9R0.55 C=C(C)CONCC(=O)O Amb27969663 [0,0,0,0,0,2|1,0,0]=3 6139 B9R0.55 C=C(C)CONCC(N)=O Amb27969598 [0,0,0,0,0,2|2,0,0]=4 6140 B9R0.55 C=C(C)CO\C=C\C(=O)O Amb18643826 [0,0,0,0,0,2|1,0,1]=4 6141 B9R0.55 C=C(C)\C=C\CCC(C)=O Amb26484309 [0,0,0,0,0,2|2,0,0]=4 6142 B9R0.55 C=C(Cl)CNCCC(=O)O Amb9326413 [0,0,0,0,0,2|1,0,1]=4 6143 B9R0.55 C=C(F)CCCCC(=O)O Amb27949889 [0,0,0,0,0,2|1,0,1]=4 6144 B9R0.55 C=C(F)CCCOC(C)=O Amb22641472 [0,0,0,0,0,2|2,0,0]=4 6145 B9R0.55 CC(=O)C#CCOC(C)=O Amb27615142 [0,0,0,0,0,2|1,0,1]=4 6146 B9R0.55 CC(=O)CCCC=C(C)C Amb28053965 [0,0,0,0,0,2|2,0,0]=4 6147 B9R0.55 CC(=O)CCCCC(=O)O Amb3939946 [0,0,0,0,0,2|0,0,0]=2 6148 B9R0.55 CC(=O)CCCCC(C)=O Amb17593600 [0,0,0,0,0,2|1,0,0]=3 6149 B9R0.55 CC(=O)CCCCC(C)O Amb27838002 [0,0,0,0,0,2|1,0,1]=4 6150 B9R0.55 CC(=O)CCCCS(C)=O Amb27412643 [0,0,0,0,0,2|2,0,0]=4 6151 B9R0.55 CC(=O)CCCNC(C)=O Amb28194645 [0,0,0,0,0,2|1,0,0]=3 6152 B9R0.55 CC(=O)CCCNS(C)=O Amb27774835 [0,0,0,0,0,2|2,0,0]=4 6153 B9R0.55 CC(=O)CCCOC(C)=O Amb1033031 [0,0,0,0,0,2|1,0,0]=3 6154 B9R0.55 CC(=O)CCNCC(=O)O Amb32675828 [0,0,0,0,0,2|0,0,0]=2 6155 B9R0.55 CC(=O)CCOCC(=O)O Amb27241199 [0,0,0,0,0,2|0,0,0]=2 6156 B9R0.55 CC(=O)CCSCC(=O)O Amb24443138 [0,0,0,0,0,2|0,0,0]=2 6157 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [0,0,0,0,0,2|0,0,0]=2 6158 B9R0.55 CC(=O)COCC=C(C)C Amb27951594 [0,0,0,0,0,2|2,0,0]=4 6159 B9R0.55 CC(=O)CSCC=C(C)C Amb28340640 [0,0,0,0,0,2|2,0,0]=4 6160 B9R0.55 CC(=O)CSCCC(N)=S Amb17503258 [0,0,0,0,0,2|1,1,0]=4 6161 B9R0.55 CC(=O)C\C=N\NC(N)=O Amb27618068 [0,0,0,0,0,2|1,0,1]=4 6162 B9R0.55 CC(=O)NCCCC(=N)N Amb27461138 [0,0,0,0,0,2|2,0,0]=4 6163 B9R0.55 CC(=O)NCCCC(=O)O Amb2778749 [0,0,0,0,0,2|0,0,0]=2 6164 B9R0.55 CC(=O)NCCCC(C)O Amb28076577 [0,0,0,0,0,2|1,0,1]=4 6165 B9R0.55 CC(=O)NCCCS(C)=O Amb27786571 [0,0,0,0,0,2|2,0,0]=4 6166 B9R0.55 CC(=O)NCCNC(=S)S Amb27441747 [0,0,0,0,0,2|0,2,0]=4 6167 B9R0.55 CC(=O)NCCNC(C)=O Amb2522644 [0,0,0,0,0,2|1,0,0]=3 6168 B9R0.55 CC(=O)NCCOC(C)=O Amb2781669 [0,0,0,0,0,2|1,0,0]=3 6169 B9R0.55 CC(=O)NCCSC(=N)N Amb27603878 [0,0,0,0,0,2|2,0,0]=4 6170 B9R0.55 CC(=O)NC\C=C\C(=O)O Amb27259093 [0,0,0,0,0,2|0,0,1]=3 6171 B9R0.55 CC(=O)NOCCC(=O)O Amb27252126 [0,0,0,0,0,2|0,0,0]=2 6172 B9R0.55 CC(=O)N\C=C/CC(N)=O Amb27214099 [0,0,0,0,0,2|1,0,1]=4 6173 B9R0.55 CC(=O)OCC#CC(=O)O Amb28411497 [0,0,0,0,0,2|0,0,1]=3 6174 B9R0.55 CC(=O)OCCC=C(F)F Amb21954269 [0,0,0,0,0,2|2,0,0]=4 6175 B9R0.55 CC(=O)OCCCC(=O)O Amb24480808 [0,0,0,0,0,2|0,0,0]=2 6176 B9R0.55 CC(=O)OCCCS(=O)Cl Amb32720405 [0,0,0,0,0,2|2,0,0]=4 6177 B9R0.55 CC(=O)OCCCS(=O)[O-] Amb32754824 [0,0,0,0,0,2|1,0,1]=4 6178 B9R0.55 CC(=O)OCCCS(N)=O Amb32720406 [0,0,0,0,0,2|2,0,0]=4 6179 B9R0.55 CC(=O)OCCC[C@@H](C)O Amb27775430 [0,0,0,0,0,2|1,0,1]=4 6180 B9R0.55 CC(=O)OCCOC(=N)N Amb27768866 [0,0,0,0,0,2|2,0,0]=4 6181 B9R0.55 CC(=O)OCCOC(C)=O Amb8513772 [0,0,0,0,0,2|1,0,0]=3 6182 B9R0.55 CC(=O)OCCOC(N)=O Amb27168669 [0,0,0,0,0,2|1,0,0]=3 6183 B9R0.55 CC(=O)OC\C=C\C(=O)O Amb24454652 [0,0,0,0,0,2|0,0,1]=3 6184 B9R0.55 CC(=O)SCCCC(=O)O Amb26356321 [0,0,0,0,0,2|0,0,0]=2 6185 B9R0.55 CC(=O)\C=C\C=C\C(=O)O Amb27205327 [0,0,0,0,0,2|0,0,2]=4 6186 B9R0.55 CC(Br)COCCC(=O)O Amb28255646 [0,0,0,0,0,2|1,0,1]=4 6187 B9R0.55 CC(C)=CCCCC(N)=O Amb27390535 [0,0,0,0,0,2|2,0,0]=4 6188 B9R0.55 CC(C)=CCCNC(N)=O Amb27596311 [0,0,0,0,0,2|2,0,0]=4 6189 B9R0.55 CC(C)=CCOCC(=O)O Amb18644115 [0,0,0,0,0,2|1,0,0]=3 6190 B9R0.55 CC(C)=CCSCC(N)=O Amb27832078 [0,0,0,0,0,2|2,0,0]=4 6191 B9R0.55 CC(C)=C\C=C\CC(=O)O Amb27473342 [0,0,0,0,0,2|1,0,1]=4 6192 B9R0.55 CC(C)=NOCCC(=O)O Amb27596064 [0,0,0,0,0,2|1,0,0]=3 6193 B9R0.55 CC(C)CC#CCC(=O)O Amb27754079 [0,0,0,0,0,2|1,0,1]=4 6194 B9R0.55 CC(C)CCC#CC(=O)O Amb27494024 [0,0,0,0,0,2|1,0,1]=4 6195 B9R0.55 CC(C)CCCCC(=O)O Amb10576144 [0,0,0,0,0,2|1,0,1]=4 6196 B9R0.55 CC(C)CCNCC(=O)O Amb1111021 [0,0,0,0,0,2|1,0,1]=4 6197 B9R0.55 CC(C)CCOCC(=O)O Amb6268007 [0,0,0,0,0,2|1,0,1]=4 6198 B9R0.55 CC(C)CCSCC(=O)O Amb1137397 [0,0,0,0,0,2|1,0,1]=4 6199 B9R0.55 CC(C)CC\C=C\C(=O)O Amb17593603 [0,0,0,0,0,2|1,0,1]=4 6200 B9R0.55 CC(C)CNCCC(=O)O Amb10609230 [0,0,0,0,0,2|1,0,1]=4 6201 B9R0.55 CC(C)CNCCC(=O)O Amb2372367 [0,0,0,0,0,2|1,0,1]=4 6202 B9R0.55 CC(C)COCCC(=O)O Amb6280020 [0,0,0,0,0,2|1,0,1]=4 6203 B9R0.55 CC(C)CSCCC(=O)O Amb6278798 [0,0,0,0,0,2|1,0,1]=4 6204 B9R0.55 CC(C)CSSCC(=O)O Amb27865411 [0,0,0,0,0,2|1,0,1]=4 6205 B9R0.55 CC(C)NCCCC(=O)O Amb1111231 [0,0,0,0,0,2|1,0,1]=4 6206 B9R0.55 CC(C)NCCCC(=O)O Amb528115 [0,0,0,0,0,2|1,0,1]=4 6207 B9R0.55 CC(C)OCCCC(=O)O Amb6274334 [0,0,0,0,0,2|1,0,1]=4 6208 B9R0.55 CC(C)OCOCC(=O)O Amb26370232 [0,0,0,0,0,2|1,0,1]=4 6209 B9R0.55 CC(C)OCSCC(=O)O Amb28241661 [0,0,0,0,0,2|1,0,1]=4 6210 B9R0.55 CC(C)SCCCC(=O)O Amb17503621 [0,0,0,0,0,2|1,0,1]=4 6211 B9R0.55 CC(C)\C=N\CCC(=O)O Amb27759498 [0,0,0,0,0,2|1,0,1]=4 6212 B9R0.55 CC(F)CCOCC(=O)O Amb27613091 [0,0,0,0,0,2|1,0,1]=4 6213 B9R0.55 CC(F)CCSCC(=O)O Amb27777659 [0,0,0,0,0,2|1,0,1]=4 6214 B9R0.55 CC(N)CCC#CC(=O)O Amb33169012 [0,0,0,0,0,2|1,0,1]=4 6215 B9R0.55 CC(N)CCCCC(=O)O Amb18644199 [0,0,0,0,0,2|1,0,1]=4 6216 B9R0.55 CC(N)CCCCC(=O)O Amb19515386 [0,0,0,0,0,2|1,0,1]=4 6217 B9R0.55 CC(N)CCSCC(=O)O Amb27436369 [0,0,0,0,0,2|1,0,1]=4 6218 B9R0.55 CC(O)CSCCC(=O)O Amb18792572 [0,0,0,0,0,2|0,0,2]=4 6219 B9R0.55 CC(O)\C=C\CCC(=O)O Amb24453133 [0,0,0,0,0,2|0,0,2]=4 6220 B9R0.55 CN(C)CCC#CC(=O)O Amb27948335 [0,0,0,0,0,2|2,0,0]=4 6221 B9R0.55 CN(C)CCCCC(=O)O Amb19275569 [0,0,0,0,0,2|2,0,0]=4 6222 B9R0.55 CN(C)CCCCC(=O)O Amb7783201 [0,0,0,0,0,2|2,0,0]=4 6223 B9R0.55 CN(C)CCNCC(=O)O Amb31292878 [0,0,0,0,0,2|2,0,0]=4 6224 B9R0.55 CN(C)CCOCC(=O)O Amb20667765 [0,0,0,0,0,2|2,0,0]=4 6225 B9R0.55 CN(C)CCOCC(=O)O Amb22059502 [0,0,0,0,0,2|2,0,0]=4 6226 B9R0.55 CN(C)CCSCC(=O)O Amb1138164 [0,0,0,0,0,2|2,0,0]=4 6227 B9R0.55 CN(C)CCSCC(=O)O Amb33329916 [0,0,0,0,0,2|2,0,0]=4 6228 B9R0.55 CN(C)CC\C=C/C(=O)O Amb27815066 [0,0,0,0,0,2|2,0,0]=4 6229 B9R0.55 CN(C)CC\C=C\C(=O)O Amb32954654 [0,0,0,0,0,2|2,0,0]=4 6230 B9R0.55 CS(=O)CCCCC(=O)O Amb18788305 [0,0,0,0,0,2|1,0,0]=3 6231 B9R0.55 CS(=O)CCNCC(N)=O Amb28140353 [0,0,0,0,0,2|2,0,0]=4 6232 B9R0.55 CS(=O)CCSCC(=O)O Amb27236300 [0,0,0,0,0,2|1,0,0]=3 6233 B9R0.55 CS(=O)NC\C=C\C(=O)O Amb28195221 [0,0,0,0,0,2|1,0,1]=4 6234 B9R0.55 C[C@@H](N)CCCCC(=O)O Amb25877255 [0,0,0,0,0,2|1,0,1]=4 6235 B9R0.55 C\C(Br)=C/CCCC(=O)O Amb27798317 [0,0,0,0,0,2|1,0,0]=3 6236 B9R0.55 C\C(Cl)=C/CSCC(=O)O Amb27865640 [0,0,0,0,0,2|1,0,0]=3 6237 B9R0.55 N=C(N)NCCCC(=O)O Amb9813713 [0,0,0,0,0,2|2,0,0]=4 6238 B9R0.55 NC(=O)CCCCC(=O)O Amb9391119 [0,0,0,0,0,2|1,0,0]=3 6239 B9R0.55 NC(=O)CCCCC(N)=O Amb2793081 [0,0,0,0,0,2|2,0,0]=4 6240 B9R0.55 NC(=O)CNOCC(N)=O Amb27194913 [0,0,0,0,0,2|2,0,0]=4 6241 B9R0.55 NC(=O)CONCC(=O)O Amb27215866 [0,0,0,0,0,2|1,0,0]=3 6242 B9R0.55 NC(=O)CSCCC(=O)O Amb6664956 [0,0,0,0,0,2|1,0,0]=3 6243 B9R0.55 NC(=O)NCCCC(=O)O Amb1104859 [0,0,0,0,0,2|1,0,0]=3 6244 B9R0.55 NC(=O)NCCNC(N)=O Amb1146040 [0,0,0,0,0,2|2,0,0]=4 6245 B9R0.55 NC(=O)NCNCC(=O)O Amb27446531 [0,0,0,0,0,2|1,0,0]=3 6246 B9R0.55 NC(=O)NC\C=C\C(=O)O Amb27817537 [0,0,0,0,0,2|1,0,1]=4 6247 B9R0.55 NC(=O)N\N=C\CC(=O)O Amb28366218 [0,0,0,0,0,2|1,0,1]=4 6248 B9R0.55 NC(=S)NCCCC(=O)O Amb27649643 [0,0,0,0,0,2|1,1,0]=4 6249 B9R0.55 O=C(Cl)CCCCC(=O)Cl Amb3940243 [0,0,0,0,0,2|2,0,0]=4 6250 B9R0.55 O=C(Cl)C\C=C\CC(=O)Cl Amb27641016 [0,0,0,0,0,2|2,0,0]=4 6251 B9R0.55 O=C(Cl)OCCOC(=O)Cl Amb22337529 [0,0,0,0,0,2|2,0,0]=4 6252 B9R0.55 O=C(O)C#CCCC(=O)O Amb28050167 [0,0,0,0,0,2|1,0,0]=3 6253 B9R0.55 O=C(O)CCCC=C(F)F Amb27831187 [0,0,0,0,0,2|2,0,0]=4 6254 B9R0.55 O=C(O)CCCCC(=O)Cl Amb27614847 [0,0,0,0,0,2|1,0,0]=3 6255 B9R0.55 O=C(O)CCCCC(=O)O Amb22167453 [0,0,0,0,0,2|1,0,0]=3 6256 B9R0.55 O=C(O)CCCCC(=O)O Amb22336279 [0,0,0,0,0,2|1,0,0]=3 6257 B9R0.55 O=C(O)CCCCC(=O)O Amb2793031 [0,0,0,0,0,2|1,0,0]=3 6258 B9R0.55 O=C(O)CCNCC(=O)O Amb18098292 [0,0,0,0,0,2|1,0,0]=3 6259 B9R0.55 O=C(O)CNNCC(=O)O Amb23438062 [0,0,0,0,0,2|1,0,0]=3 6260 B9R0.55 O=C(O)CSSCC(=O)O Amb8395267 [0,0,0,0,0,2|1,0,0]=3 6261 B9R0.55 O=C(O)C\C=C\CC(=O)O Amb4037278 [0,0,0,0,0,2|1,0,0]=3 6262 B9R0.55 O=C(O)C\N=N/CC(=O)O Amb28188728 [0,0,0,0,0,2|1,0,0]=3 6263 B9R0.55 O=C(O)C\N=N\CC(=O)O Amb27882019 [0,0,0,0,0,2|1,0,0]=3 6264 B9R0.55 O=C(O)\C=C\CCC(=O)O Amb20622952 [0,0,0,0,0,2|1,0,0]=3 6265 B9R0.55 O=C(O)\C=C\SCC(=O)O Amb18645625 [0,0,0,0,0,2|1,0,1]=4 6266 B9R0.55 O=C([O-])CCCCC(=O)[O-] Amb22168121 [0,0,0,0,0,2|1,0,1]=4