0 B9R0.7 C=C(Cl)C(=O)OCC(N)=O Amb24390852 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.7 C=C(Cl)COC(=O)C(=O)Cl Amb25338208 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.7 C=C(Cl)COC(=O)C(=O)F Amb20670431 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.7 C=C(NCC(O)=O)C(O)=O Amb24350752 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.7 CC(=C)C(=O)CCC(N)=O Amb24479003 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.7 CC(=C)C(=O)OCC(N)=O Amb25709205 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.7 CC(=C)C(=O)OCC(O)=O Amb18644056 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.7 CC(=C)CCC(=C)C(C)=O Amb25700996 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.7 CC(=C)CCC(=O)C(C)=C Amb24424832 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.7 CC(=C)CCC(=O)C(C)O Amb25280534 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.7 CC(=C)CCC(C)C(O)=O Amb25809141 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.7 CC(=C)CC[C@@H](C)C(O)=O Amb25685103 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.7 CC(=C)CC[C@@H](N)C(O)=O Amb25775219 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.7 CC(=N)C(=O)NCC(O)=O Amb25694426 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.7 CC(=NN=C(C)N)C(O)=O Amb25216201 [0,0,0,0,0,0|4,0,0]=4 15 B9R0.7 CC(=NN=C(N)N)C(O)=O Amb24093604 [0,0,0,0,0,0|4,0,0]=4 16 B9R0.7 CC(=NNC(N)=O)C(O)=O Amb24516860 [0,0,0,0,0,0|3,0,0]=3 17 B9R0.7 CC(=N\N=C(\N)/S)C(O)=O Amb24558320 [0,0,0,0,0,0|3,1,0]=4 18 B9R0.7 CC(=O)C(=C)COC(C)=O Amb25359020 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.7 CC(=O)C(=O)CCC(O)=O Amb24359327 [0,0,0,0,0,0|2,0,0]=2 20 B9R0.7 CC(=O)C(=O)COC(C)=O Amb25094676 [0,0,0,0,0,0|3,0,0]=3 21 B9R0.7 CC(=O)C(=O)NCC(C)=O Amb24376332 [0,0,0,0,0,0|3,0,0]=3 22 B9R0.7 CC(=O)C(=O)NCC(N)=O Amb25147496 [0,0,0,0,0,0|2,0,0]=2 23 B9R0.7 CC(=O)C(Br)CCC(O)=O Amb25733508 [0,0,0,0,0,0|3,0,1]=4 24 B9R0.7 CC(=O)C(C)CCC(N)=O Amb25843826 [0,0,0,0,0,0|2,0,1]=3 25 B9R0.7 CC(=O)C(Cl)CCC(=O)Cl Amb24373858 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.7 CC(=O)C(N)CCC(N)=O Amb25231237 [0,0,0,0,0,0|2,0,1]=3 27 B9R0.7 CC(=O)CCC(=C(F)F)F Amb16185918 [0,0,0,0,0,0|4,0,0]=4 28 B9R0.7 CC(=O)CCC(=C)C(C)=O Amb25303019 [0,0,0,0,0,0|3,0,0]=3 29 B9R0.7 CC(=O)CCC(=O)C(C)=O Amb25852390 [0,0,0,0,0,0|2,0,0]=2 30 B9R0.7 CC(=O)CCC(=O)C(C)C Amb19515553 [0,0,0,0,0,0|3,0,1]=4 31 B9R0.7 CC(=O)CCC(=O)N(C)C Amb17334213 [0,0,0,0,0,0|4,0,0]=4 32 B9R0.7 CC(=O)CCC(C)C(C)=O Amb25146789 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.7 CC(=O)CCC(C)C(O)=O Amb18644099 [0,0,0,0,0,0|2,0,1]=3 34 B9R0.7 CC(=O)CCC(F)C(C)=O Amb25369738 [0,0,0,0,0,0|3,0,1]=4 35 B9R0.7 CC(=O)CCC(N)C(O)=O Amb20669473 [0,0,0,0,0,0|2,0,1]=3 36 B9R0.7 CC(=O)CCC(N)C(O)=O Amb22157242 [0,0,0,0,0,0|2,0,1]=3 37 B9R0.7 CC(=O)CCN(C)C(C)=O Amb24352049 [0,0,0,0,0,0|4,0,0]=4 38 B9R0.7 CC(=O)CC[C@@H](N)C(O)=O Amb19130479 [0,0,0,0,0,0|2,0,1]=3 39 B9R0.7 CC(=O)CC[C@H](C)C(C)=O Amb25692099 [0,0,0,0,0,0|3,0,1]=4 40 B9R0.7 CC(=O)CC[C@H](N)C(O)=O Amb25147501 [0,0,0,0,0,0|2,0,1]=3 41 B9R0.7 CC(=O)CNC(=O)C(C)=C Amb25378789 [0,0,0,0,0,0|4,0,0]=4 42 B9R0.7 CC(=O)CNC(=O)C(O)=O Amb24480846 [0,0,0,0,0,0|2,0,0]=2 43 B9R0.7 CC(=O)COC(=O)C(=C)C Amb17593585 [0,0,0,0,0,0|4,0,0]=4 44 B9R0.7 CC(=O)COC(=O)[C@@H](C)O Amb25688635 [0,0,0,0,0,0|3,0,1]=4 45 B9R0.7 CC(=O)COC(=O)[C@H](C)O Amb25821081 [0,0,0,0,0,0|3,0,1]=4 46 B9R0.7 CC(=O)CSC(C(=O)O)C Amb17501621 [0,0,0,0,0,0|3,0,1]=4 47 B9R0.7 CC(=O)N(C)CCC(N)=O Amb25688630 [0,0,0,0,0,0|3,0,0]=3 48 B9R0.7 CC(=O)NCC(C)C(O)=O Amb18300085 [0,0,0,0,0,0|3,0,1]=4 49 B9R0.7 CC(=O)NCC(F)C(O)=O Amb25356174 [0,0,0,0,0,0|3,0,1]=4 50 B9R0.7 CC(=O)NCC(O)C(O)=O Amb25374579 [0,0,0,0,0,0|2,0,2]=4 51 B9R0.7 CC(=O)NC[C@H](N)C(O)=O Amb25772091 [0,0,0,0,0,0|3,0,1]=4 52 B9R0.7 CC(=O)NC[C@H](O)C(O)=O Amb24480830 [0,0,0,0,0,0|2,0,2]=4 53 B9R0.7 CC(=O)NN=C(C)C(O)=O Amb25367709 [0,0,0,0,0,0|4,0,0]=4 54 B9R0.7 CC(=O)NNC(=O)C(O)=O Amb25185290 [0,0,0,0,0,0|3,0,0]=3 55 B9R0.7 CC(=O)OCC(=O)C(O)=O Amb24350556 [0,0,0,0,0,0|2,0,0]=2 56 B9R0.7 CC(=O)OCC(C(=O)O)N Amb17593668 [0,0,0,0,0,0|3,0,1]=4 57 B9R0.7 CC(=O)OCC(Cl)C(O)=O Amb24425506 [0,0,0,0,0,0|3,0,1]=4 58 B9R0.7 CC(=O)OC[C@@H](C)C(O)=O Amb25187888 [0,0,0,0,0,0|3,0,1]=4 59 B9R0.7 CC(=O)OC[C@@H](N)C(O)=O Amb22756697 [0,0,0,0,0,0|3,0,1]=4 60 B9R0.7 CC(=O)ON=C(Cl)C(O)=O Amb25702873 [0,0,0,0,0,0|4,0,0]=4 61 B9R0.7 CC(=O)ONC(=O)C(N)=O Amb24580572 [0,0,0,0,0,0|4,0,0]=4 62 B9R0.7 CC(=O)O\N=C(/C)\C(O)=O Amb24579771 [0,0,0,0,0,0|4,0,0]=4 63 B9R0.7 CC(=O)O\N=C(/Cl)\C(O)=O Amb25258406 [0,0,0,0,0,0|4,0,0]=4 64 B9R0.7 CC(=O)SCC(=C)C(O)=O Amb24482306 [0,0,0,0,0,0|3,0,0]=3 65 B9R0.7 CC(=O)SCC(Cl)C(O)=O Amb24423824 [0,0,0,0,0,0|3,0,1]=4 66 B9R0.7 CC(=O)SCC(N)C(O)=O Amb22490452 [0,0,0,0,0,0|3,0,1]=4 67 B9R0.7 CC(=O)SC[C@@H](C(=O)O)N Amb16185419 [0,0,0,0,0,0|3,0,1]=4 68 B9R0.7 CC(=O)[C@@H](C)CCC(O)=O Amb25333003 [0,0,0,0,0,0|3,0,1]=4 69 B9R0.7 CC(=O)[C@@H](N)CCC(N)=O Amb25142080 [0,0,0,0,0,0|2,0,1]=3 70 B9R0.7 CC(=O)[C@@H](N)CCC(O)=O Amb24386065 [0,0,0,0,0,0|3,0,1]=4 71 B9R0.7 CC(=O)[C@H](C)CCC(O)=O Amb24671283 [0,0,0,0,0,0|3,0,1]=4 72 B9R0.7 CC(=O)\C(\C)=C/CC(C)=O Amb24589098 [0,0,0,0,0,0|3,0,1]=4 73 B9R0.7 CC(=O)\C(\C)=C\NC(N)=O Amb24428715 [0,0,0,0,0,0|3,0,1]=4 74 B9R0.7 CC(=O)\C(\C)=N/NC(N)=O Amb24723966 [0,0,0,0,0,0|4,0,0]=4 75 B9R0.7 CC(Br)C(=O)NCC(N)=O Amb25858703 [0,0,0,0,0,0|3,0,1]=4 76 B9R0.7 CC(C(=O)NCC(=O)N)C Amb17231981 [0,0,0,0,0,0|3,0,1]=4 77 B9R0.7 CC(C(=O)NCC(=O)N)Cl Amb1128126 [0,0,0,0,0,0|3,0,1]=4 78 B9R0.7 CC(C)=C(C)CCC(O)=O Amb24505016 [0,0,0,0,0,0|4,0,0]=4 79 B9R0.7 CC(C)=CCC(=C)C(O)=O Amb25312869 [0,0,0,0,0,0|3,0,1]=4 80 B9R0.7 CC(C)CCC(=O)C(=O)Cl Amb24722777 [0,0,0,0,0,0|3,0,1]=4 81 B9R0.7 CC(C)COC(=O)C(O)=O Amb25064282 [0,0,0,0,0,0|3,0,1]=4 82 B9R0.7 CC(CNC(N)=O)C(O)=O Amb18298054 [0,0,0,0,0,0|2,0,1]=3 83 B9R0.7 CC(CSC(N)=S)C(O)=O Amb24509733 [0,0,0,0,0,0|2,1,1]=4 84 B9R0.7 CC(Cl)C(=O)CCC(O)=O Amb25362323 [0,0,0,0,0,0|3,0,1]=4 85 B9R0.7 CC(N)C(=O)CCC(O)=O Amb25709431 [0,0,0,0,0,0|3,0,1]=4 86 B9R0.7 CC(O)C(=O)CCC(O)=O Amb25825263 [0,0,0,0,0,0|2,0,1]=3 87 B9R0.7 CC(O)C(=O)NCC(O)=O Amb24640434 [0,0,0,0,0,0|3,0,1]=4 88 B9R0.7 CC(O)C(=O)OCC(N)=O Amb25296018 [0,0,0,0,0,0|2,0,1]=3 89 B9R0.7 CC(O)CCC(=C)C(O)=O Amb24375911 [0,0,0,0,0,0|2,0,2]=4 90 B9R0.7 CC(OCC(N)=O)C(N)=O Amb25727276 [0,0,0,0,0,0|3,0,1]=4 91 B9R0.7 CC(OCC(N)=O)C(O)=O Amb24660109 [0,0,0,0,0,0|2,0,1]=3 92 B9R0.7 CC(OCC(O)=O)C(O)=O Amb25292152 [0,0,0,0,0,0|3,0,1]=4 93 B9R0.7 CC(S)C(=O)NCC(N)=O Amb25111202 [0,0,0,0,0,0|2,1,1]=4 94 B9R0.7 CC(\C=C\C(N)=O)C(O)=O Amb25174967 [0,0,0,0,0,0|1,0,3]=4 95 B9R0.7 CN(C(=O)CCC(=O)N)C Amb17334218 [0,0,0,0,0,0|3,0,0]=3 96 B9R0.7 CN(C(=O)CCC(=O)O)C Amb1135807 [0,0,0,0,0,0|4,0,0]=4 97 B9R0.7 CN(C)C(=O)CCC(N)=N Amb24523148 [0,0,0,0,0,0|4,0,0]=4 98 B9R0.7 CN(CCC(N)=N)C(N)=O Amb24469626 [0,0,0,0,0,0|4,0,0]=4 99 B9R0.7 CN(CCC(O)=O)C(N)=O Amb18984979 [0,0,0,0,0,0|4,0,0]=4 100 B9R0.7 CS(=O)CC[C@@H](N)C(O)=O Amb19133021 [0,0,0,0,0,0|3,0,1]=4 101 B9R0.7 C[C@@H](CCC(O)=O)C(O)=O Amb22799543 [0,0,0,0,0,0|2,0,1]=3 102 B9R0.7 C[C@@H](CC[N+]([O-])=O)C(O)=O Amb24330210 [0,0,0,0,0,0|3,0,1]=4 103 B9R0.7 C[C@@H](N)C(=O)NCC(N)=O Amb22801412 [0,0,0,0,0,0|3,0,1]=4 104 B9R0.7 C[C@@H](N)C(=O)NCC(N)=O Amb25242887 [0,0,0,0,0,0|3,0,1]=4 105 B9R0.7 C[C@@H](NCC(N)=O)C(O)=O Amb25849548 [0,0,0,0,0,0|2,0,1]=3 106 B9R0.7 C[C@@H](NCC(O)=O)C(O)=O Amb22748947 [0,0,0,0,0,0|3,0,1]=4 107 B9R0.7 C[C@@H](SCC(O)=O)C(O)=O Amb24482305 [0,0,0,0,0,0|3,0,1]=4 108 B9R0.7 C[C@H](CCC(O)=O)C(O)=O Amb22225175 [0,0,0,0,0,0|2,0,1]=3 109 B9R0.7 C[C@H](N)C(=O)CCC(O)=O Amb25851449 [0,0,0,0,0,0|3,0,1]=4 110 B9R0.7 C[C@H](N)CC[C@@H](N)C(O)=O Amb25199121 [0,0,0,0,0,0|2,0,2]=4 111 B9R0.7 C[C@H](NCC(N)=O)C(O)=O Amb24753576 [0,0,0,0,0,0|2,0,1]=3 112 B9R0.7 C[C@H](NCC(O)=O)C(O)=O Amb25133540 [0,0,0,0,0,0|3,0,1]=4 113 B9R0.7 C[C@H](O)CNC(=O)C(O)=O Amb25853206 [0,0,0,0,0,0|2,0,2]=4 114 B9R0.7 C[C@H](O)[C@H](O)CCC(N)=O Amb25138530 [0,0,0,0,0,0|1,0,3]=4 115 B9R0.7 C[C@H](OCC(O)=O)C(O)=O Amb24393806 [0,0,0,0,0,0|3,0,1]=4 116 B9R0.7 C\C(=C\NC(N)=N)\C(O)=O Amb24358460 [0,0,0,0,0,0|3,0,1]=4 117 B9R0.7 C\C(=N/NC(N)=O)\C(N)=O Amb24760259 [0,0,0,0,0,0|4,0,0]=4 118 B9R0.7 N=C(CCC(O)=O)C(O)=O Amb25064299 [0,0,0,0,0,0|2,0,0]=2 119 B9R0.7 NC(=N)NCC(N)C(O)=O Amb22169574 [0,0,0,0,0,0|3,0,1]=4 120 B9R0.7 NC(=N)NC[C@@H](C(=O)O)N Amb16232025 [0,0,0,0,0,0|3,0,1]=4 121 B9R0.7 NC(=N)NC[C@H](O)C(O)=O Amb25126652 [0,0,0,0,0,0|2,0,2]=4 122 B9R0.7 NC(=N)NNC(=S)C(O)=O Amb24504801 [0,0,0,0,0,0|3,1,0]=4 123 B9R0.7 NC(=N)SCC(Br)C(O)=O Amb24648298 [0,0,0,0,0,0|3,0,1]=4 124 B9R0.7 NC(=N)SCC(Cl)C(O)=O Amb25258351 [0,0,0,0,0,0|3,0,1]=4 125 B9R0.7 NC(=O)C(=O)CCC(O)=O Amb25279394 [0,0,0,0,0,0|2,0,0]=2 126 B9R0.7 NC(=O)C(N)=NNC(N)=O Amb25080819 [0,0,0,0,0,0|4,0,0]=4 127 B9R0.7 NC(=O)C(N)CCC(O)=O Amb18644256 [0,0,0,0,0,0|3,0,1]=4 128 B9R0.7 NC(=O)CCC(F)C(O)=O Amb24745286 [0,0,0,0,0,0|1,0,1]=2 129 B9R0.7 NC(=O)CCC(O)C(O)=O Amb25275311 [0,0,0,0,0,0|0,0,2]=2 130 B9R0.7 NC(=O)CC[13C@H](N)[13C](O)=O Amb22338972 [0,0,0,0,0,0|1,0,1]=2 131 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb22748708 [0,0,0,0,0,0|2,0,1]=3 132 B9R0.7 NC(=O)CC[C@H](Br)C(O)=O Amb25223377 [0,0,0,0,0,0|1,0,1]=2 133 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb24426852 [0,0,0,0,0,0|2,0,1]=3 134 B9R0.7 NC(=O)CC[C@H](O)C(N)=O Amb24480731 [0,0,0,0,0,0|1,0,2]=3 135 B9R0.7 NC(=O)CNC(=O)C(F)F Amb25360320 [0,0,0,0,0,0|3,0,1]=4 136 B9R0.7 NC(=O)NC=C(F)C(O)=O Amb24065618 [0,0,0,0,0,0|2,0,1]=3 137 B9R0.7 NC(=O)NCC(C(=O)O)F Amb17610485 [0,0,0,0,0,0|2,0,1]=3 138 B9R0.7 NC(=O)NCC(Cl)=C(Cl)Cl Amb24743348 [0,0,0,0,0,0|4,0,0]=4 139 B9R0.7 NC(=O)NC[C@@H](C(=O)O)C Amb10844047 [0,0,0,0,0,0|2,0,1]=3 140 B9R0.7 NC(=O)NC[C@@H](F)C(O)=O Amb24389552 [0,0,0,0,0,0|2,0,1]=3 141 B9R0.7 NC(=O)NC[C@H](C(=O)O)N Amb10068479 [0,0,0,0,0,0|2,0,1]=3 142 B9R0.7 NC(=O)NNC(=S)C(N)=O Amb25097183 [0,0,0,0,0,0|3,1,0]=4 143 B9R0.7 NC(=O)N[13CH2][13CH]([13C](=O)O)F Amb17610486 [0,0,0,0,0,0|2,0,1]=3 144 B9R0.7 NC(=O)N\C=C(/N)\C(O)=O Amb25113093 [0,0,0,0,0,0|2,0,1]=3 145 B9R0.7 NC(=O)N\C=C(\C(=O)O)/F Amb17614482 [0,0,0,0,0,0|2,0,1]=3 146 B9R0.7 NC(=O)N\C=C(\N)/C(O)=O Amb25174854 [0,0,0,0,0,0|2,0,1]=3 147 B9R0.7 NC(=O)SC[C@H](C(=O)O)N Amb10072293 [0,0,0,0,0,0|2,0,1]=3 148 B9R0.7 NC(=O)SC[C@H](N)C(O)=O Amb22735296 [0,0,0,0,0,0|2,0,1]=3 149 B9R0.7 NC(=O)[C@@H](N)CCC(O)=O Amb22745051 [0,0,0,0,0,0|3,0,1]=4 150 B9R0.7 NC(=O)[C@@H](N)CNC(N)=O Amb25147441 [0,0,0,0,0,0|3,0,1]=4 151 B9R0.7 NC(=O)[C@H](N)CCC(O)=O Amb24557281 [0,0,0,0,0,0|3,0,1]=4 152 B9R0.7 NC(=O)[C@H](N)CNC(N)=O Amb24548243 [0,0,0,0,0,0|3,0,1]=4 153 B9R0.7 NC(=S)CSC(C(=O)O)C Amb17503393 [0,0,0,0,0,0|2,1,1]=4 154 B9R0.7 NC(=S)N\N=C(\C(=O)O)/C Amb2496281 [0,0,0,0,0,0|3,1,0]=4 155 B9R0.7 NC(=[NH2+])SCC(Cl)C(O)=O Amb22054310 [0,0,0,0,0,0|3,0,1]=4 156 B9R0.7 NC(CCC(=O)Br)C(O)=O Amb25224344 [0,0,0,0,0,0|2,0,1]=3 157 B9R0.7 NC(CCC(=O)Cl)C(=O)Cl Amb25101509 [0,0,0,0,0,0|3,0,1]=4 158 B9R0.7 NC(CCC(O)=O)C(=O)[Na] Amb24375221 [0,0,0,0,0,0|3,0,1]=4 159 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350008 [0,0,0,0,0,0|2,0,1]=3 160 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350165 [0,0,0,0,0,0|2,0,1]=3 161 B9R0.7 NC(CCC(O)=O)P(O)=O Amb24340498 [0,0,0,0,0,0|3,0,1]=4 162 B9R0.7 NC(CCC(O)=O)[13C](O)=O Amb22367384 [0,0,0,0,0,0|2,0,1]=3 163 B9R0.7 NC(CCC(O)=S)C(O)=O Amb25039924 [0,0,0,0,0,0|2,0,2]=4 164 B9R0.7 NC(CCC([O-])=O)C([O-])=O Amb22369354 [0,0,0,0,0,0|2,0,2]=4 165 B9R0.7 NC(CCP(O)=O)C(O)=O Amb25276313 [0,0,0,0,0,0|3,0,1]=4 166 B9R0.7 NC(CCS(O)=O)C(O)=O Amb22349645 [0,0,0,0,0,0|3,0,1]=4 167 B9R0.7 NC(CC[13C](O)=O)C(O)=O Amb22366853 [0,0,0,0,0,0|2,0,1]=3 168 B9R0.7 N[13C](=O)CC[C@@H](C(=O)O)N Amb17614783 [0,0,0,0,0,0|1,0,1]=2 169 B9R0.7 N[13C](=O)[13CH2][13CH2][13C@H](N)[13C](O)=O Amb22367371 [0,0,0,0,0,0|1,0,1]=2 170 B9R0.7 N[C@@H](CCC(=O)Br)C(O)=O Amb25123825 [0,0,0,0,0,0|2,0,1]=3 171 B9R0.7 N[C@@H](CCC(=O)Cl)C(=O)Cl Amb25138653 [0,0,0,0,0,0|3,0,1]=4 172 B9R0.7 N[C@@H](CCC(=O)Cl)C(O)=O Amb25065344 [0,0,0,0,0,0|2,0,1]=3 173 B9R0.7 N[C@@H](CCC(O)=O)C([O-])=O Amb22745619 [0,0,0,0,0,0|2,0,2]=4 174 B9R0.7 N[C@@H](CCC(O)=O)[13C](O)=O Amb22353662 [0,0,0,0,0,0|2,0,1]=3 175 B9R0.7 N[C@@H](CCC(O)=S)C(O)=O Amb24480492 [0,0,0,0,0,0|2,0,2]=4 176 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22338524 [0,0,0,0,0,0|2,0,1]=3 177 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22350063 [0,0,0,0,0,0|2,0,1]=3 178 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22800016 [0,0,0,0,0,0|2,0,1]=3 179 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22801488 [0,0,0,0,0,0|2,0,1]=3 180 B9R0.7 N[C@@H](CCC([O-])=O)C([O-])=O Amb22799952 [0,0,0,0,0,0|2,0,2]=4 181 B9R0.7 N[C@@H](CCP(O)=O)C(O)=O Amb22904307 [0,0,0,0,0,0|3,0,1]=4 182 B9R0.7 N[C@@H](CC[N+]([O-])=O)C(O)=O Amb25227987 [0,0,0,0,0,0|3,0,1]=4 183 B9R0.7 N[C@@H]([13CH2]CC(O)=O)C(O)=O Amb22338711 [0,0,0,0,0,0|2,0,1]=3 184 B9R0.7 N[C@H](CCS(O)=O)C(O)=O Amb24099404 [0,0,0,0,0,0|3,0,1]=4 185 B9R0.7 O=C(Cl)CCC(Cl)C(=O)Cl Amb25759080 [0,0,0,0,0,0|3,0,1]=4 186 B9R0.7 OC(=O)C(=O)NCC(F)F Amb24383665 [0,0,0,0,0,0|3,0,1]=4 187 B9R0.7 OC(=O)C(=S)NCC(O)=O Amb24423880 [0,0,0,0,0,0|2,1,0]=3 188 B9R0.7 OC(=O)C(Cl)SCC(O)=O Amb24390363 [0,0,0,0,0,0|3,0,1]=4 189 B9R0.7 OC(=O)C(O)SCC(O)=O Amb24524554 [0,0,0,0,0,0|2,0,2]=4 190 B9R0.7 OC(=O)C=C=C(C(=O)O)C Amb17593578 [0,0,0,0,0,0|2,0,2]=4 191 B9R0.7 OC(=O)CCC(=O)C(=O)O Amb1154117 [0,0,0,0,0,0|1,0,0]=1 192 B9R0.7 OC(=O)CCC(=O)C(=O)[O-] Amb10072616 [0,0,0,0,0,0|1,0,1]=2 193 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22349893 [0,0,0,0,0,0|1,0,0]=1 194 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22350267 [0,0,0,0,0,0|1,0,0]=1 195 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22746233 [0,0,0,0,0,0|1,0,0]=1 196 B9R0.7 OC(=O)CCC(=O)[13C](O)=O Amb22055609 [0,0,0,0,0,0|1,0,0]=1 197 B9R0.7 OC(=O)CCC(C(=O)O)Cl Amb17594149 [0,0,0,0,0,0|2,0,1]=3 198 B9R0.7 OC(=O)CCC(C(=O)O)N Amb1778181 [0,0,0,0,0,0|2,0,1]=3 199 B9R0.7 OC(=O)CCC(F)C(O)=O Amb25708515 [0,0,0,0,0,0|2,0,1]=3 200 B9R0.7 OC(=O)CCC(O)C(O)=O Amb18124864 [0,0,0,0,0,0|1,0,2]=3 201 B9R0.7 OC(=O)CC[C@@H](O)C(O)=O Amb22799690 [0,0,0,0,0,0|1,0,2]=3 202 B9R0.7 OC(=O)CNC(=O)C(=C)C Amb16232088 [0,0,0,0,0,0|4,0,0]=4 203 B9R0.7 OC(=O)CNC(=O)C(=O)C Amb17593639 [0,0,0,0,0,0|3,0,0]=3 204 B9R0.7 OC(=O)CNC(=O)C(=O)O Amb2447304 [0,0,0,0,0,0|2,0,0]=2 205 B9R0.7 OC(=O)CSC(C(=O)O)C Amb2431034 [0,0,0,0,0,0|3,0,1]=4 206 B9R0.7 OC(=O)\C(\Br)=C/CC(O)=O Amb25364176 [0,0,0,0,0,0|2,0,1]=3 207 B9R0.7 [15NH2]C(=O)CC[C@@H](C(=O)O)N Amb17614782 [0,0,0,0,0,0|1,0,1]=2 208 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(O)=O Amb22338766 [0,0,0,0,0,0|1,0,1]=2 209 B9R0.7 [15NH2]C(CCC(O)=O)C(O)=O Amb22336520 [0,0,0,0,0,0|2,0,1]=3 210 B9R0.7 [15NH2][13C@@H]([13CH2][13CH2][13C](O)=O)[13C](O)=O Amb22353585 [0,0,0,0,0,0|2,0,1]=3 211 B9R0.7 [15NH2][13C](=O)[13CH2][13CH2][13C@H]([15NH2])[13C](O)=O Amb22353586 [0,0,0,0,0,0|1,0,1]=2 212 B9R0.7 [O-]C(=O)C(=O)CCC(O)=O Amb22166891 [0,0,0,0,0,0|1,0,1]=2 213 B9R0.7 [O-]C(=O)CCC(=O)C(=O)[O-] Amb10072211 [0,0,0,0,0,0|1,0,1]=2 214 B9R0.7 [O-]C(=O)CCC(=O)C(O)=O Amb22231405 [0,0,0,0,0,0|1,0,0]=1 215 B9R0.7 [O-]C(=O)CCC(O)C([O-])=O Amb22055443 [0,0,0,0,0,0|1,0,3]=4 216 B9R0.7 [O-]C(=O)CC[C@@H](C(=O)[O-])O Amb17615400 [0,0,0,0,0,0|1,0,3]=4 217 B9R0.7 [O-]C(=O)CC[C@H](C(=O)[O-])O Amb17615399 [0,0,0,0,0,0|1,0,3]=4 218 B9R0.7 [O-][N+](=O)CC[C@H](C(=O)O)C Amb13883662 [0,0,0,0,0,0|3,0,1]=4 219 B8R0.8 C#CCCC(=O)C(O)=O Amb24657416 [1,0,0,0,0,0|1,0,1]=3 220 B8R0.8 C=C(CCC=C)C(O)=O Amb18642395 [1,0,0,0,0,0|2,0,0]=3 221 B8R0.8 C=C(CCCN)C(O)=O Amb18642697 [1,0,0,0,0,0|1,0,1]=3 222 B8R0.8 C=C(CCON)C(O)=O Amb25859256 [1,0,0,0,0,0|2,0,0]=3 223 B8R0.8 C=C(C\C=C/Cl)C(O)=O Amb24462692 [1,0,0,0,0,0|2,0,1]=4 224 B8R0.8 C=C(C\C=C\Cl)C(O)=O Amb25174909 [1,0,0,0,0,0|2,0,1]=4 225 B8R0.8 C=CCCC(=O)C(O)=O Amb25738669 [1,0,0,0,0,0|1,0,0]=2 226 B8R0.8 C=CCCC(Cl)C(O)=O Amb25041973 [1,0,0,0,0,0|2,0,1]=4 227 B8R0.8 C=CCCC(N)C(O)=O Amb24383848 [1,0,0,0,0,0|2,0,1]=4 228 B8R0.8 C=CCC[C@@H](N)C(O)=O Amb23439045 [1,0,0,0,0,0|2,0,1]=4 229 B8R0.8 C=CCOC(=O)C(N)=O Amb25690128 [1,0,0,0,0,0|3,0,0]=4 230 B8R0.8 CC(=O)C(=O)NCC=C Amb17399818 [1,0,0,0,0,0|3,0,0]=4 231 B8R0.8 CC(=O)C(=O)OCC=C Amb24516175 [1,0,0,0,0,0|3,0,0]=4 232 B8R0.8 CC(=O)C(=O)\C=C\C=O Amb24557852 [1,0,0,0,0,0|1,0,2]=4 233 B8R0.8 CC(C)=C(C)CCC=O Amb24373951 [1,0,0,0,0,0|3,0,0]=4 234 B8R0.8 CC(C)C(=O)CCC=O Amb18642637 [1,0,0,0,0,0|2,0,1]=4 235 B8R0.8 CC(CCC=C)C(O)=O Amb18642656 [1,0,0,0,0,0|2,0,1]=4 236 B8R0.8 CC(CCC=O)C(C)=O Amb18642650 [1,0,0,0,0,0|2,0,1]=4 237 B8R0.8 CC(CCC=O)C(O)=O Amb18642767 [1,0,0,0,0,0|1,0,1]=3 238 B8R0.8 CC(CCCN)C(O)=O Amb25146072 [1,0,0,0,0,0|1,0,2]=4 239 B8R0.8 CC(CNC=O)C(O)=O Amb18299693 [1,0,0,0,0,0|2,0,1]=4 240 B8R0.8 CC(O)C(=O)CCC=C Amb25137415 [1,0,0,0,0,0|2,0,1]=4 241 B8R0.8 CCCCC(=C)C(O)=O Amb18642649 [1,0,0,0,0,0|2,0,1]=4 242 B8R0.8 CCCCC(=O)C(O)=O Amb18642761 [1,0,0,0,0,0|1,0,1]=3 243 B8R0.8 CCCCC(=O)C(O)=O Amb22348245 [1,0,0,0,0,0|1,0,1]=3 244 B8R0.8 CCSCC(=O)C(O)=O Amb24670679 [1,0,0,0,0,0|2,0,1]=4 245 B8R0.8 CN(CCC=O)C(N)=O Amb25146044 [1,0,0,0,0,0|3,0,0]=4 246 B8R0.8 CSCCC(=O)C(O)=O Amb18643588 [1,0,0,0,0,0|2,0,0]=3 247 B8R0.8 CSCCC(=O)C(O)=O Amb22274154 [1,0,0,0,0,0|2,0,0]=3 248 B8R0.8 C[C@H](CCC=C)C(O)=O Amb24337306 [1,0,0,0,0,0|2,0,1]=4 249 B8R0.8 C[C@H](O)C(=O)CCC=O Amb25069752 [1,0,0,0,0,0|1,0,1]=3 250 B8R0.8 C\C(=C/CC=C)\C(O)=O Amb18642394 [1,0,0,0,0,0|2,0,1]=4 251 B8R0.8 C\C(=C\CC=C)\C(O)=O Amb25264925 [1,0,0,0,0,0|2,0,1]=4 252 B8R0.8 C\C=C\CC(=O)C(O)=O Amb18642583 [1,0,0,0,0,0|1,0,1]=3 253 B8R0.8 N#CCNC(=O)C(O)=O Amb18063035 [1,0,0,0,0,0|1,0,2]=4 254 B8R0.8 NC(=O)C(=O)NCCN Amb21953023 [1,0,0,0,0,0|2,0,1]=4 255 B8R0.8 NC(C(=O)O)CCON Amb17593409 [1,0,0,0,0,0|2,0,1]=4 256 B8R0.8 NC(CCC=O)C(O)=O Amb24340141 [1,0,0,0,0,0|1,0,1]=3 257 B8R0.8 NC(CSC=O)C(O)=O Amb24670042 [1,0,0,0,0,0|2,0,1]=4 258 B8R0.8 NCCCC(=O)C(O)=O Amb24081348 [1,0,0,0,0,0|0,0,1]=2 259 B8R0.8 NCCCC(C(=O)O)Br Amb17595166 [1,0,0,0,0,0|1,0,2]=4 260 B8R0.8 NCCCC(Cl)C(O)=O Amb24626933 [1,0,0,0,0,0|1,0,2]=4 261 B8R0.8 NCCCC(N)C(O)=O Amb22489477 [1,0,0,0,0,0|1,0,2]=4 262 B8R0.8 NCCCC(N)C(O)=O Amb22492665 [1,0,0,0,0,0|1,0,2]=4 263 B8R0.8 NCCCC(O)C(O)=O Amb18124377 [1,0,0,0,0,0|0,0,3]=4 264 B8R0.8 NCCC[C@@H](N)C(O)=O Amb22801212 [1,0,0,0,0,0|1,0,2]=4 265 B8R0.8 NCCC[C@@H](O)C(O)=O Amb24459740 [1,0,0,0,0,0|0,0,3]=4 266 B8R0.8 NCCC[C@@H]([NH3+])C(=O)O Amb10807472 [1,0,0,0,0,0|1,0,2]=4 267 B8R0.8 NCCC[C@H](N)C(O)=O Amb20240598 [1,0,0,0,0,0|1,0,2]=4 268 B8R0.8 NCCNC(=O)C(O)=O Amb18977789 [1,0,0,0,0,0|1,0,1]=3 269 B8R0.8 NOCCC(N)C(O)=O Amb21858490 [1,0,0,0,0,0|2,0,1]=4 270 B8R0.8 NOCC[C@@H](N)C(O)=O Amb22745427 [1,0,0,0,0,0|2,0,1]=4 271 B8R0.8 NOCC[C@@H](N)C(O)=O Amb22751695 [1,0,0,0,0,0|2,0,1]=4 272 B8R0.8 N[C@@H](CCC=O)C(O)=O Amb25378080 [1,0,0,0,0,0|1,0,1]=3 273 B8R0.8 N[C@@H](CCCN)C(O)=O Amb22746434 [1,0,0,0,0,0|1,0,2]=4 274 B8R0.8 N[C@H](CCC=O)C(O)=O Amb24477812 [1,0,0,0,0,0|1,0,1]=3 275 B8R0.8 OC(=O)C(=O)CCCBr Amb24711405 [1,0,0,0,0,0|1,0,1]=3 276 B8R0.8 OC(=O)C(=O)CCCCl Amb25274323 [1,0,0,0,0,0|1,0,1]=3 277 B8R0.8 OC(=O)C(=O)NCCO Amb24117944 [1,0,0,0,0,0|1,0,2]=4 278 B8R0.8 OC(=O)C(=O)OCCCl Amb25378823 [1,0,0,0,0,0|2,0,1]=4 279 B8R0.8 OC(=O)C(=O)\C=C\C=O Amb24392793 [1,0,0,0,0,0|0,0,2]=3 280 B8R0.8 OC(CNC=O)C(O)=O Amb25126146 [1,0,0,0,0,0|1,0,2]=4 281 B8R0.8 O[C@@H](CNC=O)C(O)=O Amb24453193 [1,0,0,0,0,0|1,0,2]=4 282 B8R0.8 [N-]=[N+]=NCC(=O)C(O)=O Amb25774608 [1,0,0,0,0,0|2,0,1]=4 283 B8R0.9 C#CC(=O)NCC(N)=O Amb24732631 [1,0,0,0,0,0|2,0,1]=4 284 B8R0.9 C=C(CCC(N)=O)C=C Amb25352097 [1,0,0,0,0,0|2,0,0]=3 285 B8R0.9 C=C(CCC(O)=O)C=C Amb18642412 [1,0,0,0,0,0|3,0,0]=4 286 B8R0.9 C=C(Cl)COC(=O)C=O Amb18644380 [1,0,0,0,0,0|3,0,0]=4 287 B8R0.9 C=CC(=O)CCC(O)=O Amb22055999 [1,0,0,0,0,0|2,0,0]=3 288 B8R0.9 CC(=O)CCC(=C)C=O Amb24640352 [1,0,0,0,0,0|2,0,0]=3 289 B8R0.9 CC(=O)CCC(=O)C=C Amb10562681 [1,0,0,0,0,0|2,0,0]=3 290 B8R0.9 CC(=O)CCC(=O)C=O Amb25224384 [1,0,0,0,0,0|1,0,0]=2 291 B8R0.9 CC(=O)CCC(=O)NN Amb25793418 [1,0,0,0,0,0|3,0,0]=4 292 B8R0.9 CC(=O)CCC(Cl)C=O Amb25275061 [1,0,0,0,0,0|2,0,1]=4 293 B8R0.9 CC(=O)CNC(=O)C=C Amb25162799 [1,0,0,0,0,0|3,0,0]=4 294 B8R0.9 CC(=O)COC(=O)C=O Amb18642738 [1,0,0,0,0,0|2,0,0]=3 295 B8R0.9 CC(=O)NCC(=O)NO Amb25340085 [1,0,0,0,0,0|3,0,0]=4 296 B8R0.9 CC(=O)OCC(=C)C=O Amb25050286 [1,0,0,0,0,0|3,0,0]=4 297 B8R0.9 CC(=O)OCC(=O)C=C Amb17607380 [1,0,0,0,0,0|3,0,0]=4 298 B8R0.9 CC(=O)\C=C/C(=O)C=O Amb25756958 [1,0,0,0,0,0|1,0,2]=4 299 B8R0.9 CC(=O)\C=C\C(=O)C=O Amb18642365 [1,0,0,0,0,0|1,0,2]=4 300 B8R0.9 CC(CCC(C)=O)=CCl Amb24581923 [1,0,0,0,0,0|3,0,0]=4 301 B8R0.9 CC(CCC(C)=O)=NO Amb24760824 [1,0,0,0,0,0|3,0,0]=4 302 B8R0.9 CC(CCC(C)=O)C=O Amb18642612 [1,0,0,0,0,0|2,0,1]=4 303 B8R0.9 CC(CCC(O)=O)=NO Amb25138471 [1,0,0,0,0,0|3,0,0]=4 304 B8R0.9 CCC(=O)CCC(=O)C Amb17593347 [1,0,0,0,0,0|2,0,1]=4 305 B8R0.9 CCC(=O)CCC(=O)Cl Amb24420925 [1,0,0,0,0,0|2,0,1]=4 306 B8R0.9 CCC(=O)CCC(=O)O Amb2099579 [1,0,0,0,0,0|2,0,1]=4 307 B8R0.9 CCC(=O)CCC(N)=O Amb24669836 [1,0,0,0,0,0|1,0,1]=3 308 B8R0.9 CCC(=O)NCC(=O)N Amb17231864 [1,0,0,0,0,0|2,0,1]=4 309 B8R0.9 CN(CCC(N)=O)C=O Amb25146008 [1,0,0,0,0,0|2,0,0]=3 310 B8R0.9 CN(CCC(O)=O)C=O Amb18984989 [1,0,0,0,0,0|3,0,0]=4 311 B8R0.9 CNC(=O)CCC(=O)C Amb17334107 [1,0,0,0,0,0|3,0,0]=4 312 B8R0.9 CNC(=O)CCC(=O)N Amb17334114 [1,0,0,0,0,0|2,0,0]=3 313 B8R0.9 CNC(=O)NCC(N)=O Amb24481795 [1,0,0,0,0,0|3,0,0]=4 314 B8R0.9 COC(=O)CCC(=O)C Amb13777321 [1,0,0,0,0,0|3,0,0]=4 315 B8R0.9 COC(=O)CCC(N)=O Amb24323351 [1,0,0,0,0,0|2,0,0]=3 316 B8R0.9 COC(=O)CCC(N)=S Amb18108081 [1,0,0,0,0,0|2,1,0]=4 317 B8R0.9 COC(=O)CNC(=O)N Amb1126846 [1,0,0,0,0,0|3,0,0]=4 318 B8R0.9 COC(=O)CSC(N)=O Amb24672643 [1,0,0,0,0,0|3,0,0]=4 319 B8R0.9 C[C@@H](CCC(C)=O)C=O Amb24441758 [1,0,0,0,0,0|2,0,1]=4 320 B8R0.9 C\C(\CCC(C)=O)=C/C Amb25768510 [1,0,0,0,0,0|3,0,0]=4 321 B8R0.9 C\C(\CCC(C)=O)=C\C Amb24610198 [1,0,0,0,0,0|3,0,0]=4 322 B8R0.9 C\C(\CCC(C)=O)=N/O Amb24422445 [1,0,0,0,0,0|3,0,0]=4 323 B8R0.9 C\C(\CCC(O)=O)=C\C Amb24681032 [1,0,0,0,0,0|3,0,0]=4 324 B8R0.9 C\C=C(/Br)\CCC(O)=O Amb25685237 [1,0,0,0,0,0|3,0,0]=4 325 B8R0.9 C\C=C(\Br)/CCC(O)=O Amb25210030 [1,0,0,0,0,0|3,0,0]=4 326 B8R0.9 C\C=C(\F)/CCC(O)=O Amb24670842 [1,0,0,0,0,0|3,0,0]=4 327 B8R0.9 NC(=O)CCC(=O)N=O Amb24445359 [1,0,0,0,0,0|1,0,0]=2 328 B8R0.9 NC(=O)CCC(=O)NBr Amb24390936 [1,0,0,0,0,0|2,0,0]=3 329 B8R0.9 NC(=O)CCC(=O)NCl Amb24425513 [1,0,0,0,0,0|2,0,0]=3 330 B8R0.9 NC(=O)CCC(=O)NO Amb24340146 [1,0,0,0,0,0|1,0,0]=2 331 B8R0.9 NC(=O)CNC(=O)CBr Amb25201255 [1,0,0,0,0,0|2,0,1]=4 332 B8R0.9 NC(=O)CNC(=O)CN Amb22730172 [1,0,0,0,0,0|2,0,1]=4 333 B8R0.9 NC(=O)CNC(=O)CN Amb22734748 [1,0,0,0,0,0|2,0,1]=4 334 B8R0.9 NC(=O)CNC(=O)CS Amb24405222 [1,0,0,0,0,0|1,1,1]=4 335 B8R0.9 NC(=O)COC(=O)CO Amb25739390 [1,0,0,0,0,0|1,0,1]=3 336 B8R0.9 NC(=O)NCC(=O)NN Amb24477825 [1,0,0,0,0,0|3,0,0]=4 337 B8R0.9 NC(=O)NNC(=O)CO Amb25328968 [1,0,0,0,0,0|2,0,1]=4 338 B8R0.9 NC(NCC(N)=O)=NO Amb25759831 [1,0,0,0,0,0|3,0,0]=4 339 B8R0.9 NCC(=O)CC[13C](O)=O Amb22367280 [1,0,0,0,0,0|2,0,1]=4 340 B8R0.9 NCC(=O)[13CH2]CC(=O)O Amb17608125 [1,0,0,0,0,0|2,0,1]=4 341 B8R0.9 NNC(=O)CCC(O)=O Amb22270256 [1,0,0,0,0,0|3,0,0]=4 342 B8R0.9 N[13CH2]C(=O)CCC(O)=O Amb22367582 [1,0,0,0,0,0|2,0,1]=4 343 B8R0.9 N[C@@H](CCC(N)=O)C=O Amb25104754 [1,0,0,0,0,0|1,0,1]=3 344 B8R0.9 N[C@@H](CCC(O)=O)C=O Amb24347675 [1,0,0,0,0,0|2,0,1]=4 345 B8R0.9 N[C@H](CO)CCC(N)=O Amb24368577 [1,0,0,0,0,0|1,0,2]=4 346 B8R0.9 OC(=O)CCC(=O)C=O Amb18642737 [1,0,0,0,0,0|1,0,0]=2 347 B8R0.9 OC(=O)CCC(=O)CBr Amb18652012 [1,0,0,0,0,0|2,0,1]=4 348 B8R0.9 OC(=O)CCC(=O)CCl Amb25736440 [1,0,0,0,0,0|2,0,1]=4 349 B8R0.9 OC(=O)CCC(=O)CO Amb18642867 [1,0,0,0,0,0|1,0,1]=3 350 B8R0.9 OC(=O)CNC(=O)C=O Amb25328169 [1,0,0,0,0,0|2,0,0]=3 351 B8R0.9 OC(=O)CNC(=O)CO Amb18124375 [1,0,0,0,0,0|2,0,1]=4 352 B8R0.9 OC(=O)CNC(=O)NO Amb25228420 [1,0,0,0,0,0|3,0,0]=4 353 B8R0.9 OC(CCC(O)=O)=NO Amb24745795 [1,0,0,0,0,0|2,0,1]=4 354 B8R0.28 C=C(F)CCCC(O)=O Amb22641515 [1,0,0,0,0,0|2,0,1]=4 355 B8R0.28 CC(=O)C=NNC(N)=O Amb24561654 [1,0,0,0,0,0|3,0,0]=4 356 B8R0.28 CC(=O)CCC=C(F)F Amb24478042 [1,0,0,0,0,0|3,0,0]=4 357 B8R0.28 CC(=O)CCCC(=C)O Amb24422924 [1,0,0,0,0,0|2,0,1]=4 358 B8R0.28 CC(=O)CCCC(=O)Cl Amb24752758 [1,0,0,0,0,0|2,0,1]=4 359 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [1,0,0,0,0,0|1,0,1]=3 360 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [1,0,0,0,0,0|2,0,1]=4 361 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [1,0,0,0,0,0|1,0,1]=3 362 B8R0.28 CC(=O)CCNC(=O)C Amb17102868 [1,0,0,0,0,0|3,0,0]=4 363 B8R0.28 CC(=O)CC\C=C(/Cl)\C Amb17593664 [1,0,0,0,0,0|3,0,0]=4 364 B8R0.28 CC(=O)CNCC(O)=O Amb24375747 [1,0,0,0,0,0|2,0,1]=4 365 B8R0.28 CC(=O)COCC(N)=O Amb24070191 [1,0,0,0,0,0|2,0,1]=4 366 B8R0.28 CC(=O)C\C=C\C(=O)O Amb16232091 [1,0,0,0,0,0|1,0,1]=3 367 B8R0.28 CC(=O)NCCC(=S)N Amb17232012 [1,0,0,0,0,0|2,1,0]=4 368 B8R0.28 CC(=O)OCCC(O)=O Amb18642866 [1,0,0,0,0,0|2,0,1]=4 369 B8R0.28 CC(=O)SCCC(N)=O Amb24552735 [1,0,0,0,0,0|2,0,0]=3 370 B8R0.28 CC(=O)\C=C/CC(C)=O Amb25072729 [1,0,0,0,0,0|2,0,1]=4 371 B8R0.28 CC(=O)\C=C\CC(C)=O Amb25238337 [1,0,0,0,0,0|2,0,1]=4 372 B8R0.28 CC(=O)\C=N/CC(O)=O Amb25347610 [1,0,0,0,0,0|3,0,0]=4 373 B8R0.28 CC(Br)=CCCC(O)=O Amb25200944 [1,0,0,0,0,0|3,0,0]=4 374 B8R0.28 CC(C)=CCCC(N)=O Amb24655596 [1,0,0,0,0,0|2,0,0]=3 375 B8R0.28 CC(C)=CCNC(N)=O Amb25858742 [1,0,0,0,0,0|3,0,0]=4 376 B8R0.28 CC(C)=CCOC(N)=O Amb25378568 [1,0,0,0,0,0|3,0,0]=4 377 B8R0.28 CC(Cl)=CCCC(C)=O Amb25274421 [1,0,0,0,0,0|3,0,0]=4 378 B8R0.28 CC(Cl)=CCNC(N)=O Amb25174965 [1,0,0,0,0,0|3,0,0]=4 379 B8R0.28 CC(N)=NN=CC(O)=O Amb24455612 [1,0,0,0,0,0|3,0,0]=4 380 B8R0.28 CC(N)CCCC(O)=O Amb22059416 [1,0,0,0,0,0|1,0,2]=4 381 B8R0.28 CC(O)CCCC(N)=O Amb24622764 [1,0,0,0,0,0|1,0,2]=4 382 B8R0.28 CC(O)NCCC(N)=O Amb24446895 [1,0,0,0,0,0|2,0,1]=4 383 B8R0.28 CS(=O)CCCC(O)=O Amb18306076 [1,0,0,0,0,0|2,0,1]=4 384 B8R0.28 CS(=O)C\C=C\C(O)=O Amb24586059 [1,0,0,0,0,0|2,0,1]=4 385 B8R0.28 C[C@@H](N)CCCC(O)=O Amb24435680 [1,0,0,0,0,0|1,0,2]=4 386 B8R0.28 NC(=N)CCCC(O)=O Amb25757878 [1,0,0,0,0,0|1,0,1]=3 387 B8R0.28 NC(=N)CNCC(O)=O Amb25062019 [1,0,0,0,0,0|2,0,1]=4 388 B8R0.28 NC(=N)S\C=C/C(O)=O Amb22733172 [1,0,0,0,0,0|2,0,1]=4 389 B8R0.28 NC(=O)CCCC(N)=N Amb25173064 [1,0,0,0,0,0|2,0,1]=4 390 B8R0.28 NC(=O)CCCC(N)=O Amb24098550 [1,0,0,0,0,0|1,0,1]=3 391 B8R0.28 NC(=O)CCC[N+]([O-])=O Amb22432425 [1,0,0,0,0,0|1,0,2]=4 392 B8R0.28 NC(=O)CCOP(O)=O Amb24668254 [1,0,0,0,0,0|2,0,0]=3 393 B8R0.28 NC(=O)CSCC(=O)Cl Amb25288065 [1,0,0,0,0,0|2,0,1]=4 394 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [1,0,0,0,0,0|1,0,1]=3 395 B8R0.28 NC(=O)NCCC(N)=N Amb25102435 [1,0,0,0,0,0|3,0,0]=4 396 B8R0.28 NC(=O)NCNC(N)=O Amb24105508 [1,0,0,0,0,0|3,0,0]=4 397 B8R0.28 NC(=O)NN=CC(N)=O Amb24579018 [1,0,0,0,0,0|3,0,0]=4 398 B8R0.28 NC(=O)NN=CC(O)=O Amb24616453 [1,0,0,0,0,0|2,0,0]=3 399 B8R0.28 NC(=O)N\N=C\C(=O)O Amb10552378 [1,0,0,0,0,0|2,0,0]=3 400 B8R0.28 NC(=O)\C=C\CC(N)=O Amb24721870 [1,0,0,0,0,0|1,0,1]=3 401 B8R0.28 NC(=S)CCOC(N)=O Amb25104739 [1,0,0,0,0,0|2,1,0]=4 402 B8R0.28 NC(=S)N\N=C\C(=O)O Amb1396751 [1,0,0,0,0,0|2,1,0]=4 403 B8R0.28 NC(=S)SCCC(N)=O Amb24691673 [1,0,0,0,0,0|2,1,0]=4 404 B8R0.28 NC(=S)S\C=C\C(=O)O Amb10552410 [1,0,0,0,0,0|1,1,1]=4 405 B8R0.28 OC(=O)C#CCC(O)=O Amb25850643 [1,0,0,0,0,0|1,0,2]=4 406 B8R0.28 OC(=O)C=C=CC(=O)O Amb17593335 [1,0,0,0,0,0|1,0,2]=4 407 B8R0.28 OC(=O)CCC=C(C)C Amb10601609 [1,0,0,0,0,0|3,0,0]=4 408 B8R0.28 OC(=O)CCC=C(F)F Amb25224993 [1,0,0,0,0,0|3,0,0]=4 409 B8R0.28 OC(=O)CCCC(=O)Br Amb24480005 [1,0,0,0,0,0|1,0,1]=3 410 B8R0.28 OC(=O)CCCC(O)=O Amb22351480 [1,0,0,0,0,0|1,0,1]=3 411 B8R0.28 OC(=O)CCCC(O)=O Amb22351829 [1,0,0,0,0,0|1,0,1]=3 412 B8R0.28 OC(=O)CCCP(O)=O Amb24480161 [1,0,0,0,0,0|2,0,1]=4 413 B8R0.28 OC(=O)CCNC(=O)C Amb1104704 [1,0,0,0,0,0|2,0,1]=4 414 B8R0.28 OC(=O)CCSC(=N)N Amb1043190 [1,0,0,0,0,0|2,0,1]=4 415 B8R0.28 OC(=O)CCSC(=O)C Amb17607685 [1,0,0,0,0,0|2,0,1]=4 416 B8R0.28 OC(=O)CNC=P(O)=O Amb24558051 [1,0,0,0,0,0|3,0,0]=4 417 B8R0.28 OC(=O)COCC(=O)Cl Amb25372456 [1,0,0,0,0,0|2,0,1]=4 418 B8R0.28 OC(=O)C\C=C\C(=O)O Amb1154189 [1,0,0,0,0,0|1,0,1]=3 419 B8R0.28 OC(=O)\C=N\N=C(/S)\N Amb2567022 [1,0,0,0,0,0|2,1,0]=4 420 B8R0.28 O[13C](=O)CCC[13C](=O)O Amb17614793 [1,0,0,0,0,0|1,0,1]=3 421 B8R0.28 [O-]C(=O)CCCC([O-])=O Amb22729768 [1,0,0,0,0,0|1,0,2]=4 422 B8R0.28 [O-][N+](=O)CCCC(O)=O Amb24711043 [1,0,0,0,0,0|2,0,1]=4 423 B10R0.12 [O-]P(O)(=O)C(=O)NCC(O)=O Amb25268237 [0,1,0,0,0,0|3,0,0]=4 424 B10R0.13 CC(=O)C(=O)N(C)CC(O)=O Amb25384890 [0,1,0,0,0,0|3,0,0]=4 425 B10R0.13 CC(=O)CC(C)C(C)C(O)=O Amb18126130 [0,1,0,0,0,0|2,0,1]=4 426 B10R0.13 CC(=O)OC(C)C(=O)C(O)=O Amb25385162 [0,1,0,0,0,0|2,0,0]=3 427 B10R0.13 CC(C(=O)N(C)C)CC(=O)N Amb17334428 [0,1,0,0,0,0|3,0,0]=4 428 B10R0.13 CC(C(O)=O)=C(C)CC(O)=O Amb25326749 [0,1,0,0,0,0|2,0,1]=4 429 B10R0.13 CC(C(O)=O)S(=O)CC(N)=O Amb18304636 [0,1,0,0,0,0|2,0,1]=4 430 B10R0.13 CC(C)=CC(C)C(=O)C(O)=O Amb24391333 [0,1,0,0,0,0|2,0,1]=4 431 B10R0.13 CC(C)CC(C)C(=O)C(O)=O Amb18645040 [0,1,0,0,0,0|2,0,1]=4 432 B10R0.13 CC(CC(O)=O)C(=O)C(O)=O Amb25386314 [0,1,0,0,0,0|1,0,0]=2 433 B10R0.13 CC(CC(O)=O)C(N)C(O)=O Amb23440872 [0,1,0,0,0,0|2,0,1]=4 434 B10R0.13 CC(NC(N)=O)C(C)C(O)=O Amb24692783 [0,1,0,0,0,0|2,0,1]=4 435 B10R0.13 CN(C)C(=O)C(N)CC(N)=O Amb18968994 [0,1,0,0,0,0|3,0,0]=4 436 B10R0.13 C[C@@H](CC(O)=O)[C@@H](N)C(O)=O Amb19133152 [0,1,0,0,0,0|2,0,1]=4 437 B10R0.13 C[C@@H](CC(O)=O)[C@H](N)C(O)=O Amb19133150 [0,1,0,0,0,0|2,0,1]=4 438 B10R0.13 C[C@H](CC(O)=O)C(=O)C(O)=O Amb25385022 [0,1,0,0,0,0|1,0,0]=2 439 B10R0.13 C[C@H](NC(N)=O)[C@@H](C)C(O)=O Amb25363206 [0,1,0,0,0,0|2,0,1]=4 440 B10R0.13 C[C@H](NC(N)=O)[C@H](C)C(O)=O Amb25138793 [0,1,0,0,0,0|2,0,1]=4 441 B10R0.13 C\C(\C(O)=O)=C(\C)/CC(O)=O Amb24373861 [0,1,0,0,0,0|2,0,1]=4 442 B10R0.13 NC(=O)NC(=O)C(=O)C(O)=O Amb24358082 [0,1,0,0,0,0|1,0,1]=3 443 B10R0.13 NC(=O)[C@@H](O)[C@@H](O)CC(N)=O Amb24766252 [0,1,0,0,0,0|1,0,2]=4 444 B10R0.13 NC(=O)[C@@H](O)[C@H](O)CC(N)=O Amb24766222 [0,1,0,0,0,0|1,0,2]=4 445 B10R0.13 NC(C(O)CC(O)=O)C(O)=O Amb25383245 [0,1,0,0,0,0|2,0,1]=4 446 B10R0.13 NC(CC(O)=O)C(N)C(O)=O Amb25386391 [0,1,0,0,0,0|2,0,1]=4 447 B10R0.13 NC(CC(O)=O)[C@H](N)C(O)=O Amb24764806 [0,1,0,0,0,0|2,0,1]=4 448 B10R0.13 N[C@@H](C(Cl)CC(O)=O)C(O)=O Amb24764556 [0,1,0,0,0,0|2,0,1]=4 449 B10R0.13 N[C@@H](C(O)CC(O)=O)C(O)=O Amb22746926 [0,1,0,0,0,0|2,0,1]=4 450 B10R0.13 N[C@@H]([C@@H](Cl)CC(O)=O)C(O)=O Amb25386256 [0,1,0,0,0,0|2,0,1]=4 451 B10R0.13 N[C@@H]([C@@H](F)CC(O)=O)C(O)=O Amb25386225 [0,1,0,0,0,0|2,0,1]=4 452 B10R0.13 N[C@@H]([C@H](F)CC(O)=O)C(O)=O Amb25386224 [0,1,0,0,0,0|2,0,1]=4 453 B10R0.13 N[C@H](C(F)CC(O)=O)C(O)=O Amb25383802 [0,1,0,0,0,0|2,0,1]=4 454 B10R0.13 OC(=O)C[C@@H]([C@H](C(=O)O)N)C Amb17617452 [0,1,0,0,0,0|2,0,1]=4 455 B10R0.13 OC(=O)C[C@H]([C@@H](C(=O)O)N)C Amb17617455 [0,1,0,0,0,0|2,0,1]=4 456 B10R0.13 OC(=O)[C@@H](O)[C@@H](O)CC(O)=O Amb25386187 [0,1,0,0,0,0|1,0,2]=4 457 B10R0.13 OC(=O)[C@@H](O)[C@H](O)CC(O)=O Amb25386186 [0,1,0,0,0,0|1,0,2]=4 458 B10R0.13 OC(CC(O)=O)C(Cl)C(O)=O Amb25386324 [0,1,0,0,0,0|2,0,1]=4 459 B10R0.43 CC(=O)CCC(C)(C)C(O)=O Amb18645019 [0,1,0,0,0,0|2,0,1]=4 460 B10R0.43 CC(C)(COC(N)=O)C(O)=O Amb25385152 [0,1,0,0,0,0|2,0,1]=4 461 B10R0.43 CC(C)(NCC(N)=O)C(O)=O Amb18306733 [0,1,0,0,0,0|2,0,1]=4 462 B10R0.43 CC(Cl)(CCC(O)=O)C(O)=O Amb25385218 [0,1,0,0,0,0|2,0,1]=4 463 B10R0.43 CC(N)(CCC(N)=O)C(O)=O Amb25385217 [0,1,0,0,0,0|1,0,1]=3 464 B10R0.43 CC(N)(CCC(O)=O)C(O)=O Amb22801426 [0,1,0,0,0,0|2,0,1]=4 465 B10R0.43 CC(O)(CCC(O)=O)C(O)=O Amb25384878 [0,1,0,0,0,0|1,0,2]=4 466 B10R0.43 C[C@@](O)(CCC(O)=O)C(O)=O Amb25386439 [0,1,0,0,0,0|1,0,2]=4 467 B10R0.43 NC(=O)CCC(C(=O)O)(F)N Amb10839407 [0,1,0,0,0,0|1,0,1]=3 468 B10R0.43 NC(=O)CSC(C(=O)O)(C)C Amb17501450 [0,1,0,0,0,0|2,0,1]=4 469 B10R0.43 NC(=O)CSC(F)(F)C(O)=O Amb25382400 [0,1,0,0,0,0|2,0,1]=4 470 B10R0.43 NC(=O)NCC(F)(F)C(O)=O Amb24690942 [0,1,0,0,0,0|2,0,1]=4 471 B10R0.43 OC(=O)CCC(Cl)(Cl)C(O)=O Amb25384394 [0,1,0,0,0,0|2,0,1]=4 472 B10R0.43 OC(=O)CCC(F)(F)C(O)=O Amb22263070 [0,1,0,0,0,0|2,0,1]=4 473 B10R0.57 C=C(CO)C(=O)NCC(N)=O Amb24751197 [0,1,0,0,0,0|2,0,0]=3 474 B10R0.57 CC(=C)CNC(=O)C(=O)OC Amb24755298 [0,1,0,0,0,0|3,0,0]=4 475 B10R0.57 CC(=NO)C(=O)CCC(O)=O Amb25385214 [0,1,0,0,0,0|2,0,0]=3 476 B10R0.57 CC(=O)C\C=C(/C)\C(=O)OC Amb24765181 [0,1,0,0,0,0|2,0,1]=4 477 B10R0.57 CC(=O)NCC(=C)C(=O)OC Amb24766342 [0,1,0,0,0,0|3,0,0]=4 478 B10R0.57 CC(=O)NNC(=O)C(=O)OC Amb24485209 [0,1,0,0,0,0|3,0,0]=4 479 B10R0.57 CC(=O)OCC(=C)C(=O)OC Amb22496541 [0,1,0,0,0,0|3,0,0]=4 480 B10R0.57 CC(=O)OCC(=O)\C(\C)=N\O Amb24766940 [0,1,0,0,0,0|3,0,0]=4 481 B10R0.57 CN(CCC(N)=O)C(=O)NN Amb24767092 [0,1,0,0,0,0|3,0,0]=4 482 B10R0.57 CN(CCC(N)=O)C(N)=NO Amb24767158 [0,1,0,0,0,0|3,0,0]=4 483 B10R0.57 CNC(=O)C(N)CCC(N)=O Amb24762716 [0,1,0,0,0,0|2,0,1]=4 484 B10R0.57 COC(=O)C(=O)NCC(=C)Cl Amb25382034 [0,1,0,0,0,0|3,0,0]=4 485 B10R0.57 COC(=O)C(=O)NCC(N)=O Amb24757424 [0,1,0,0,0,0|1,0,0]=2 486 B10R0.57 COC(=O)C(=O)NCC(O)=O Amb25385135 [0,1,0,0,0,0|2,0,0]=3 487 B10R0.57 COC(=O)C(=O)NNC(N)=O Amb24416410 [0,1,0,0,0,0|2,0,0]=3 488 B10R0.57 COC(=O)C(C)CCC(O)=O Amb22008198 [0,1,0,0,0,0|2,0,1]=4 489 B10R0.57 COC(=O)C(O)CNC(N)=O Amb25382332 [0,1,0,0,0,0|1,0,2]=4 490 B10R0.57 COC(=O)[C@@H](CCC(=O)N)N Amb10844892 [0,1,0,0,0,0|1,0,1]=3 491 B10R0.57 COC(=O)[C@@H](N)CCC(O)=O Amb22754032 [0,1,0,0,0,0|2,0,1]=4 492 B10R0.57 CON(C)C(=O)CNC(N)=O Amb24762416 [0,1,0,0,0,0|3,0,0]=4 493 B10R0.57 C\C(=C/CC(O)=O)\C(=O)OC Amb18126096 [0,1,0,0,0,0|2,0,1]=4 494 B10R0.57 C\C(=C\C)\C(=O)NCC(N)=O Amb24354210 [0,1,0,0,0,0|3,0,0]=4 495 B10R0.57 C\C(=N/O)\C(=O)OCC(O)=O Amb25382146 [0,1,0,0,0,0|3,0,0]=4 496 B10R0.57 NC(=O)CCC(N)C(=O)NO Amb25385851 [0,1,0,0,0,0|1,0,1]=3 497 B10R0.57 NC(=O)CC[C@H](N)C(=O)NO Amb24764528 [0,1,0,0,0,0|1,0,1]=3 498 B10R0.57 NC(C(=O)O[Na])CCC(=O)O Amb16224798 [0,1,0,0,0,0|2,0,1]=4 499 B10R0.57 NC(CCC(O)=O)C(=O)O[Na] Amb22730975 [0,1,0,0,0,0|2,0,1]=4 500 B10R0.57 NNC(=O)C(=O)NCC(O)=O Amb25337580 [0,1,0,0,0,0|3,0,0]=4 501 B10R0.57 OC(=O)CCC(=O)\C(\Cl)=N\O Amb25382148 [0,1,0,0,0,0|2,0,0]=3 502 B10R0.82 CC(=NNC(=O)NC)C(O)=O Amb24666306 [0,1,0,0,0,0|3,0,0]=4 503 B10R0.82 CC(=O)C(=O)NCC(=O)OC Amb25385804 [0,1,0,0,0,0|3,0,0]=4 504 B10R0.82 CC(=O)N(C)CCC(=O)NC Amb25383471 [0,1,0,0,0,0|3,0,0]=4 505 B10R0.82 CC(CNC(=O)CN)C(O)=O Amb18313397 [0,1,0,0,0,0|2,0,1]=4 506 B10R0.82 CN(C)C(=O)CCC(=O)NN Amb24750654 [0,1,0,0,0,0|3,0,0]=4 507 B10R0.82 CNC(=O)CCC(=O)C(O)=O Amb25385153 [0,1,0,0,0,0|0,0,0]=1 508 B10R0.82 CNC(=O)CCC(=O)N(C)C Amb25384328 [0,1,0,0,0,0|3,0,0]=4 509 B10R0.82 CNC(=O)CCC(N)C(O)=O Amb18645293 [0,1,0,0,0,0|1,0,1]=3 510 B10R0.82 CNC(=O)CNC(=O)C(=C)Cl Amb25265387 [0,1,0,0,0,0|3,0,0]=4 511 B10R0.82 CNC(=O)CNC(=O)[C@@H](C)O Amb24703844 [0,1,0,0,0,0|2,0,1]=4 512 B10R0.82 CNC(=O)CN[C@@H](C)C(O)=O Amb25383665 [0,1,0,0,0,0|2,0,1]=4 513 B10R0.82 CNC(=O)CN[C@H](C)C(O)=O Amb25383671 [0,1,0,0,0,0|2,0,1]=4 514 B10R0.82 CNC(=O)CSC(F)C(O)=O Amb25382404 [0,1,0,0,0,0|2,0,1]=4 515 B10R0.82 CNC(=O)NCC(C)C(O)=O Amb18300018 [0,1,0,0,0,0|2,0,1]=4 516 B10R0.82 CNC(=O)NCC(N)C(O)=O Amb25806000 [0,1,0,0,0,0|2,0,1]=4 517 B10R0.82 CNC(=O)NC[C@H](N)C(O)=O Amb25361972 [0,1,0,0,0,0|2,0,1]=4 518 B10R0.82 CNC(=O)OCC(N)C(O)=O Amb25385001 [0,1,0,0,0,0|2,0,1]=4 519 B10R0.82 CNC(=O)SCC(N)C(O)=O Amb25383453 [0,1,0,0,0,0|2,0,1]=4 520 B10R0.82 CNC(=O)SC[C@@H](C(=O)O)N Amb17617278 [0,1,0,0,0,0|2,0,1]=4 521 B10R0.82 CNC(=O)SC[C@@H](N)C(O)=O Amb19133092 [0,1,0,0,0,0|2,0,1]=4 522 B10R0.82 COC(=O)CC[C@@H](C(=O)O)[NH3+] Amb10574405 [0,1,0,0,0,0|2,0,1]=4 523 B10R0.82 COC(=O)CC[C@@H](C)C(O)=O Amb22801605 [0,1,0,0,0,0|2,0,1]=4 524 B10R0.82 COC(=O)CC[C@@H](N)C(O)=O Amb22746068 [0,1,0,0,0,0|2,0,1]=4 525 B10R0.82 COC(=O)CC[C@H](C(=O)O)N Amb16183875 [0,1,0,0,0,0|2,0,1]=4 526 B10R0.82 COC(=O)CC[C@H](N)C(O)=O Amb22336436 [0,1,0,0,0,0|2,0,1]=4 527 B10R0.82 C\C(=C\CC(=O)OC)\C(O)=O Amb25385213 [0,1,0,0,0,0|2,0,1]=4 528 B10R0.82 NC(CCC(=O)CCl)C(O)=O Amb21929315 [0,1,0,0,0,0|2,0,1]=4 529 B10R0.82 NC(CCC(=O)NO)C(O)=O Amb22350145 [0,1,0,0,0,0|1,0,1]=3 530 B10R0.82 NNC(=O)CC[C@@H](N)C(O)=O Amb22800002 [0,1,0,0,0,0|1,0,1]=3 531 B10R0.82 NNC(=O)CC[C@H](N)C(O)=O Amb25379957 [0,1,0,0,0,0|1,0,1]=3 532 B10R0.82 OC(=O)C(=O)\C=C\C(=O)CCl Amb25384835 [0,1,0,0,0,0|1,0,2]=4 533 B10R0.84 CC(=O)OC\C(=C\C)\C(O)=O Amb24767106 [0,1,0,0,0,0|3,0,0]=4 534 B10R0.84 CC(=O)\C(\CCC(O)=O)=N/O Amb24765012 [0,1,0,0,0,0|2,0,1]=4 535 B10R0.84 CCC(C(=O)O)CCC(=O)O Amb10552864 [0,1,0,0,0,0|2,0,1]=4 536 B10R0.84 CCC(C(=O)O)SCC(=O)N Amb17501319 [0,1,0,0,0,0|2,0,1]=4 537 B10R0.84 CC\C(=C/CC(O)=O)\C(O)=O Amb18644984 [0,1,0,0,0,0|2,0,1]=4 538 B10R0.84 CNC(C(=O)O)CCC(=O)O Amb13884886 [0,1,0,0,0,0|2,0,1]=4 539 B10R0.84 CN[C@@H](C(=O)O)CCC(=O)O Amb10604040 [0,1,0,0,0,0|2,0,1]=4 540 B10R0.84 CN[C@@H](CCC(N)=O)C(O)=O Amb22270246 [0,1,0,0,0,0|1,0,1]=3 541 B10R0.84 CN[C@@H](CCC(O)=O)C(O)=O Amb24117978 [0,1,0,0,0,0|2,0,1]=4 542 B10R0.84 CN[C@H](C(=O)O)CCC(=O)O Amb13884885 [0,1,0,0,0,0|2,0,1]=4 543 B10R0.84 C\C=C(\CCC(O)=O)/C(O)=O Amb25386289 [0,1,0,0,0,0|2,0,0]=3 544 B10R0.84 NC(=N)NCC(=NO)C(O)=O Amb25240643 [0,1,0,0,0,0|2,0,1]=4 545 B10R0.84 NC(=N)NC\C(=N\O)\C(O)=O Amb25798961 [0,1,0,0,0,0|2,0,1]=4 546 B10R0.84 NC(=O)NN=C(CS)C(O)=O Amb25772853 [0,1,0,0,0,0|2,1,0]=4 547 B10R0.84 OC(=O)CC\C(=N\O)\C(O)=O Amb22365968 [0,1,0,0,0,0|1,0,1]=3 548 B10R0.84 [C-]#[N+]C(CCC(N)=O)C(N)=O Amb24766525 [0,1,0,0,0,0|2,0,1]=4 549 B10R0.92 CC(C)(C)CCC(=O)C(O)=O Amb24105501 [0,1,0,0,0,0|2,0,1]=4 550 B10R0.92 CC(C)(N)CNC(=O)C(O)=O Amb24751786 [0,1,0,0,0,0|2,0,1]=4 551 B10R0.92 O=C(C(=O)O)CCC(F)(F)F Amb16230791 [0,1,0,0,0,0|2,0,1]=4 552 B10R0.92 OC(=O)C(=O)CCP(O)(O)=O Amb25386301 [0,1,0,0,0,0|2,0,0]=3 553 B10R0.92 OC(=O)C(=O)COP(=O)(O)O Amb17615815 [0,1,0,0,0,0|3,0,0]=4 554 B10R0.93 BrC(C(=O)O)CC(C(=O)O)Br Amb17621581 [0,1,0,0,0,0|2,0,1]=4 555 B10R0.93 C=C(CC(N)C(N)=O)C(O)=O Amb25382149 [0,1,0,0,0,0|1,0,0]=2 556 B10R0.93 C=C(CC(N)C(O)=O)C(O)=O Amb18126175 [0,1,0,0,0,0|2,0,0]=3 557 B10R0.93 C=C(C[C@H](N)C(O)=O)C(N)=O Amb25386182 [0,1,0,0,0,0|1,0,2]=4 558 B10R0.93 CC(=C)C(=O)NC(C)C(N)=O Amb24486608 [0,1,0,0,0,0|3,0,0]=4 559 B10R0.93 CC(=C)C(=O)OC(C)C(N)=O Amb24764896 [0,1,0,0,0,0|3,0,0]=4 560 B10R0.93 CC(=CC(=O)C(O)=O)C(O)=O Amb24634036 [0,1,0,0,0,0|1,0,2]=4 561 B10R0.93 CC(=O)C(=O)CC(=O)C(C)=O Amb24766837 [0,1,0,0,0,0|2,0,1]=4 562 B10R0.93 CC(=O)C(=O)NC(C)C(N)=O Amb24532973 [0,1,0,0,0,0|2,0,0]=3 563 B10R0.93 CC(=O)C(N)CC(C)C(O)=O Amb24765255 [0,1,0,0,0,0|2,0,1]=4 564 B10R0.93 CC(=O)C(O)\C=C(/C)\C(O)=O Amb24433897 [0,1,0,0,0,0|2,0,1]=4 565 B10R0.93 CC(=O)C(O)\C=C(\C)/C(O)=O Amb24563377 [0,1,0,0,0,0|2,0,1]=4 566 B10R0.93 CC(=O)[C@@H](N)C[C@@H](C)C(O)=O Amb25384326 [0,1,0,0,0,0|2,0,1]=4 567 B10R0.93 CC(C(=O)N)CC(=O)N(C)C Amb17334426 [0,1,0,0,0,0|3,0,0]=4 568 B10R0.93 CC(C(=O)O)CC(=C)C(=O)O Amb10844068 [0,1,0,0,0,0|2,0,0]=3 569 B10R0.93 CC(CC(C)C(N)=O)C(N)=O Amb24764746 [0,1,0,0,0,0|2,0,1]=4 570 B10R0.93 CC(CC(C)C(O)=O)C(N)=O Amb25383441 [0,1,0,0,0,0|1,0,1]=3 571 B10R0.93 CC(CC(Cl)C(O)=O)C(O)=O Amb25386325 [0,1,0,0,0,0|2,0,1]=4 572 B10R0.93 CC(CC(N)C(O)=O)C(O)=O Amb23440871 [0,1,0,0,0,0|2,0,1]=4 573 B10R0.93 CC(CN(C)C(N)=O)C(O)=O Amb18292772 [0,1,0,0,0,0|2,0,1]=4 574 B10R0.93 CC(C[C@H](N)C(O)=O)C(N)=O Amb25386389 [0,1,0,0,0,0|1,0,1]=3 575 B10R0.93 CC(NC(=O)C(N)=O)C(N)=O Amb25144098 [0,1,0,0,0,0|2,0,0]=3 576 B10R0.93 CC(NC(=O)C(O)=O)C(O)=O Amb25108452 [0,1,0,0,0,0|2,0,0]=3 577 B10R0.93 CC(NC(=O)[C@H](C)O)C(N)=O Amb24577337 [0,1,0,0,0,0|2,0,1]=4 578 B10R0.93 CC(OC(=O)C(C)O)C(N)=O Amb24756107 [0,1,0,0,0,0|2,0,1]=4 579 B10R0.93 CC(OC(=O)[C@H](C)O)C(N)=O Amb24750880 [0,1,0,0,0,0|2,0,1]=4 580 B10R0.93 CN(C)C(=O)CC(N)C(N)=O Amb25381619 [0,1,0,0,0,0|3,0,0]=4 581 B10R0.93 CN(NC(=O)C(O)=O)C(N)=O Amb24672357 [0,1,0,0,0,0|2,0,0]=3 582 B10R0.93 C[C@@H](C[C@@H](N)C(O)=O)C(O)=O Amb19133151 [0,1,0,0,0,0|2,0,1]=4 583 B10R0.93 C[C@@H](NC(=O)C(O)=O)C(O)=O Amb19893389 [0,1,0,0,0,0|2,0,0]=3 584 B10R0.93 C[C@@H](O)[C@@H](O)CC(=O)C(O)=O Amb25385221 [0,1,0,0,0,0|1,0,2]=4 585 B10R0.93 C[C@@H](O)[C@H](O)CC(=O)C(O)=O Amb25385223 [0,1,0,0,0,0|1,0,2]=4 586 B10R0.93 C[C@H](NC(=O)C(O)=O)C(O)=O Amb19893397 [0,1,0,0,0,0|2,0,0]=3 587 B10R0.93 C[C@H](NC(=O)[C@@H](C)O)C(N)=O Amb24485177 [0,1,0,0,0,0|2,0,1]=4 588 B10R0.93 C[C@H](NC(=O)[C@H](C)O)C(N)=O Amb25823001 [0,1,0,0,0,0|2,0,1]=4 589 B10R0.93 C[C@H](N[C@H](C)C(O)=O)C(N)=O Amb25384905 [0,1,0,0,0,0|2,0,1]=4 590 B10R0.93 C[C@H](O)[C@@H](O)CC(=O)C(O)=O Amb25385163 [0,1,0,0,0,0|1,0,2]=4 591 B10R0.93 C[C@H](O)[C@H](O)CC(=O)C(O)=O Amb25385222 [0,1,0,0,0,0|1,0,2]=4 592 B10R0.93 C\C(=C/C(=O)C(O)=O)\C(C)=O Amb24721665 [0,1,0,0,0,0|1,0,2]=4 593 B10R0.93 C\C(=C/C(=O)C(O)=O)\C(O)=O Amb25091208 [0,1,0,0,0,0|1,0,2]=4 594 B10R0.93 C\C(=C/C(C)C(O)=O)\C(O)=O Amb25138641 [0,1,0,0,0,0|2,0,1]=4 595 B10R0.93 C\C(=C\C(C)C(O)=O)\C(O)=O Amb23591115 [0,1,0,0,0,0|2,0,1]=4 596 B10R0.93 F[C@H](C(=O)N)C[C@@H](C(=O)O)N Amb10839753 [0,1,0,0,0,0|1,0,1]=3 597 B10R0.93 F[C@H](C(=O)N)C[C@H](C(=O)O)N Amb10839752 [0,1,0,0,0,0|1,0,1]=3 598 B10R0.93 NC(=O)C(F)CC(N)C(O)=O Amb25386442 [0,1,0,0,0,0|1,0,1]=3 599 B10R0.93 NC(=O)C(F)C[C@H](N)C(O)=O Amb25383170 [0,1,0,0,0,0|1,0,1]=3 600 B10R0.93 NC(=O)C(N)CC(F)C(O)=O Amb25385219 [0,1,0,0,0,0|1,0,1]=3 601 B10R0.93 NC(=O)C(O)CC(F)C(N)=O Amb25380511 [0,1,0,0,0,0|1,0,2]=4 602 B10R0.93 NC(=O)C(O)CC(O)C(O)=O Amb25385182 [0,1,0,0,0,0|0,0,2]=3 603 B10R0.93 NC(=O)N(O)CC(N)C(O)=O Amb25385220 [0,1,0,0,0,0|2,0,1]=4 604 B10R0.93 NC(=O)N(O)C[C@H](N)C(O)=O Amb25383798 [0,1,0,0,0,0|2,0,1]=4 605 B10R0.93 NC(=O)[C@H](F)C[C@@H](N)C(O)=O Amb25384972 [0,1,0,0,0,0|1,0,1]=3 606 B10R0.93 NC(=O)[C@H](N)C[C@@H](F)C(O)=O Amb25384973 [0,1,0,0,0,0|1,0,1]=3 607 B10R0.93 NC(CC(N)C(O)=O)C(O)=O Amb24117887 [0,1,0,0,0,0|2,0,1]=4 608 B10R0.93 N[C@@H](CC(F)C(O)=O)C(O)=O Amb22800491 [0,1,0,0,0,0|2,0,1]=4 609 B10R0.93 N[C@@H](C[C@@H](F)C(O)=O)C(O)=O Amb24055860 [0,1,0,0,0,0|2,0,1]=4 610 B10R0.93 N[C@@H](C[C@@H](N)C(O)=O)C(O)=O Amb22746048 [0,1,0,0,0,0|2,0,1]=4 611 B10R0.93 N[C@@H](C[C@H](N)C(O)=O)C(O)=O Amb22388564 [0,1,0,0,0,0|2,0,1]=4 612 B10R0.93 N[C@@H](C[C@H](N)C(O)=O)C(O)=O Amb22745417 [0,1,0,0,0,0|2,0,1]=4 613 B10R0.93 N[C@@H](C[C@H](O)C(O)=O)C(O)=O Amb22800665 [0,1,0,0,0,0|1,0,2]=4 614 B10R0.93 N[C@@H](C[C@H](O)C(O)=O)C(O)=O Amb24117514 [0,1,0,0,0,0|1,0,2]=4 615 B10R0.93 N[C@H](C(=O)N)C[C@@H](C(=O)O)F Amb10838207 [0,1,0,0,0,0|1,0,1]=3 616 B10R0.93 N[C@H](C(=O)N)C[C@H](C(=O)O)F Amb10841109 [0,1,0,0,0,0|1,0,1]=3 617 B10R0.93 N[C@H](C[C@@H](N)C(O)=O)C(O)=O Amb22388558 [0,1,0,0,0,0|2,0,1]=4 618 B10R0.93 N[C@H](C[C@@H](O)C(O)=O)C(O)=O Amb25386295 [0,1,0,0,0,0|1,0,2]=4 619 B10R0.93 OC(=O)C(=O)CC(=O)C(O)=O Amb24754815 [0,1,0,0,0,0|1,0,1]=3 620 B10R0.93 OC(=O)C(Cl)CC(Cl)C(O)=O Amb25385940 [0,1,0,0,0,0|2,0,1]=4 621 B10R0.93 OC(=O)C(O)CC(O)C(O)=O Amb18645944 [0,1,0,0,0,0|1,0,2]=4 622 B10R0.93 OC(=O)C(S)CC(S)C(O)=O Amb25384913 [0,1,0,0,0,0|1,1,1]=4 623 B10R0.93 OC(=O)[C@@H](C[C@@H](C(=O)O)F)N Amb10839750 [0,1,0,0,0,0|2,0,1]=4 624 B10R0.93 OC(=O)[C@@H](C[C@@H](C(=O)O)N)C Amb10807462 [0,1,0,0,0,0|2,0,1]=4 625 B10R0.93 OC(=O)[C@H](C[C@@H](C(=O)O)F)N Amb10839751 [0,1,0,0,0,0|2,0,1]=4 626 B10R0.93 OC(=O)[C@H](C[C@@H](C(=O)O)N)C Amb17617454 [0,1,0,0,0,0|2,0,1]=4 627 B10R0.93 OC(=O)[C@H](O)C[C@@H](O)C(O)=O Amb25386296 [0,1,0,0,0,0|1,0,2]=4 628 B10R0.93 OC(=O)[C@H](S)C[C@@H](S)C(O)=O Amb25386192 [0,1,0,0,0,0|1,1,1]=4 629 B10R0.93 OC(C(=O)O)CC(=O)C(=O)O Amb17615458 [0,1,0,0,0,0|1,0,0]=2 630 B10R0.93 O[C@H](CC(=O)C(O)=O)C(O)=O Amb25383809 [0,1,0,0,0,0|1,0,0]=2 631 B10R0.93 [NH3+]C(CC(O)C(O)=O)C([O-])=O Amb25385683 [0,1,0,0,0,0|1,0,2]=4 632 B10R1.13 NC(=O)C1CCC(=O)NC1 Amb20668378 [0,0,0,1,0,0|2,0,1]=4 633 B10R1.13 NC(=O)C=1CNC(=O)NC1 Amb24063069 [0,0,0,1,0,0|3,0,0]=4 634 B10R1.13 NC(=S)C=1CCC(=O)NN1 Amb25105056 [0,0,0,1,0,0|2,1,0]=4 635 B10R1.13 NC1=NN=C(CS1)C(=O)O Amb1981824 [0,0,0,1,0,0|3,0,0]=4 636 B10R1.13 NC1CCC(=CC1)C(O)=O Amb24101018 [0,0,0,1,0,0|2,0,1]=4 637 B10R1.13 O=C1CCC(=CC1)C(=O)C Amb17593496 [0,0,0,1,0,0|3,0,0]=4 638 B10R1.13 O=C1CCC(=CN1)C(=O)C Amb2386720 [0,0,0,1,0,0|2,0,0]=3 639 B10R1.13 O=C1CCC(=NN1)C(=O)Cl Amb17142897 [0,0,0,1,0,0|2,0,0]=3 640 B10R1.13 OC(=O)C1=CCC(=O)N=N1 Amb22641446 [0,0,0,1,0,0|1,0,2]=4 641 B10R1.13 OC(=O)C1=CNC(=O)C=N1 Amb18278228 [0,0,0,1,0,0|2,0,1]=4 642 B10R1.13 OC(=O)C1=CNC(=O)N=C1 Amb18643480 [0,0,0,1,0,0|2,0,1]=4 643 B10R1.13 OC(=O)C1CCC(=O)CN1 Amb21960863 [0,0,0,1,0,0|2,0,1]=4 644 B10R1.13 OC(=O)C1CCC(=O)CO1 Amb23596936 [0,0,0,1,0,0|1,0,2]=4 645 B10R1.13 OC(=O)C1CCC(=O)CS1 Amb23596925 [0,0,0,1,0,0|1,1,1]=4 646 B10R1.13 OC(=O)C1CCC(=O)NN1 Amb23441127 [0,0,0,1,0,0|1,0,1]=3 647 B10R1.13 OC(=O)C1CCC(=O)SC1 Amb24637279 [0,0,0,1,0,0|2,0,1]=4 648 B10R1.13 OC(=O)C1CNC(=O)CN1 Amb22235954 [0,0,0,1,0,0|2,0,1]=4 649 B10R1.13 OC(=O)C1CNC(=O)CN1 Amb22641428 [0,0,0,1,0,0|2,0,1]=4 650 B10R1.13 OC(=O)C=1C=CC(=O)NC1 Amb18028595 [0,0,0,1,0,0|1,0,2]=4 651 B10R1.13 OC(=O)C=1C=CC(=O)NN1 Amb18013052 [0,0,0,1,0,0|1,0,2]=4 652 B10R1.13 OC(=O)C=1C=CC(=O)NN1 Amb19894728 [0,0,0,1,0,0|1,0,2]=4 653 B10R1.13 OC(=O)C=1C=NC(=O)CN1 Amb24093763 [0,0,0,1,0,0|2,0,1]=4 654 B10R1.13 OC(=O)C=1CCC(=O)CC1 Amb24656398 [0,0,0,1,0,0|2,0,0]=3 655 B10R1.13 OC(=O)C=1CCC(=O)NC1 Amb22011873 [0,0,0,1,0,0|1,0,0]=2 656 B10R1.13 OC(=O)C=1CCC(O)NN1 Amb25229013 [0,0,0,1,0,0|1,0,2]=4 657 B10R1.13 OC(=O)C=1CSC(=O)NC1 Amb25061302 [0,0,0,1,0,0|2,0,0]=3 658 B10R1.13 OC(=O)[C@@H]1CCC(=O)CN1 Amb24655763 [0,0,0,1,0,0|2,0,1]=4 659 B10R1.13 OC(=O)[C@@H]1CNC(=O)CN1 Amb22746776 [0,0,0,1,0,0|2,0,1]=4 660 B10R1.13 OC(=O)[C@@H]1CNC(=O)CN1 Amb22756547 [0,0,0,1,0,0|2,0,1]=4 661 B10R1.13 OC(=O)[C@H]1CNC(=O)CN1 Amb24423079 [0,0,0,1,0,0|2,0,1]=4 662 B10R1.58 C=C1C[C@@H](CC1=O)C(O)=O Amb25789978 [0,0,0,1,0,0|3,0,0]=4 663 B10R1.58 C=C1C[C@@H](NC1=O)C(O)=O Amb25821844 [0,0,0,1,0,0|3,0,0]=4 664 B10R1.58 CC(=O)C1CC(C)C(=O)O1 Amb25146781 [0,0,0,1,0,0|2,0,1]=4 665 B10R1.58 CC(=O)N1CC(=O)C(=O)C1 Amb18202767 [0,0,0,1,0,0|3,0,0]=4 666 B10R1.58 CC(C)C1CC(=O)C(=O)O1 Amb25146630 [0,0,0,1,0,0|2,0,1]=4 667 B10R1.58 CC1CC(OC1=O)C(=O)Cl Amb25124855 [0,0,0,1,0,0|2,0,1]=4 668 B10R1.58 CN1C[C@H](OC1=O)C(O)=O Amb25696396 [0,0,0,1,0,0|3,0,0]=4 669 B10R1.58 NC(=O)C1CC(=O)N(C1)C Amb2236385 [0,0,0,1,0,0|3,0,0]=4 670 B10R1.58 NC(=O)[C@@H]1C[C@@H](F)C(=O)N1 Amb25201106 [0,0,0,1,0,0|2,0,1]=4 671 B10R1.58 NC1CC(OC1=O)C(O)=O Amb25147458 [0,0,0,1,0,0|2,0,1]=4 672 B10R1.58 O=C1NC(CC1=O)C(=O)Cl Amb25060639 [0,0,0,1,0,0|2,0,0]=3 673 B10R1.58 OC(=O)C1CC(O)C(=O)O1 Amb18644233 [0,0,0,1,0,0|1,0,2]=4 674 B10R1.58 OC(=O)[C@@H]1C[C@@H](O)C(=O)O1 Amb24514914 [0,0,0,1,0,0|1,0,2]=4 675 B10R1.58 OC(=O)[C@@H]1C[C@H](O)C(=O)O1 Amb25230626 [0,0,0,1,0,0|1,0,2]=4 676 B10R1.190 NC(CC1CC1=O)C(O)=O Amb24477414 [0,0,0,1,0,0|2,0,1]=4 677 B10R1.211 OC(=O)CCC(=O)C1CO1 Amb25792200 [0,0,0,1,0,0|2,0,1]=4 678 B10R1.349 CC(=O)C1CC(C1)C(O)=O Amb25113879 [0,0,0,1,0,0|2,0,1]=4 679 B10R1.349 CC(=O)N1CC(C1)C(N)=O Amb22643533 [0,0,0,1,0,0|3,0,0]=4 680 B10R1.349 NC(=O)C1CC(C1)C(O)=O Amb24698479 [0,0,0,1,0,0|1,0,1]=3 681 B10R1.349 NC(=O)[C@@H]1C[C@H](C1)C(O)=O Amb24394961 [0,0,0,1,0,0|1,0,1]=3 682 B10R1.349 NC(=O)[C@H]1C[C@H](C1)C(O)=O Amb24425563 [0,0,0,1,0,0|1,0,1]=3 683 B10R1.349 NC(=O)[C@H]1C[C@H](N1)C(N)=O Amb24540472 [0,0,0,1,0,0|2,0,1]=4 684 B10R1.349 OC(=O)C1CC(C1)C(O)=O Amb19958786 [0,0,0,1,0,0|2,0,1]=4 685 B10R1.349 OC(=O)[C@@H]1C[C@H](C1)C(O)=O Amb19514892 [0,0,0,1,0,0|2,0,1]=4 686 B10R1.360 C[C@]1(C[C@@H]1C(O)=O)C(O)=O Amb24598825 [0,0,0,1,0,0|2,0,1]=4 687 B10R1.360 C[C@]1(C[C@H]1C(O)=O)C(O)=O Amb25231202 [0,0,0,1,0,0|2,0,1]=4 688 B10R1.360 NC1(CC1C(O)=O)C(O)=O Amb25124900 [0,0,0,1,0,0|2,0,1]=4 689 B10R1.360 N[C@@]1(C[C@@H]1C(O)=O)C(O)=O Amb23452842 [0,0,0,1,0,0|2,0,1]=4 690 B10R1.360 N[C@@]1(C[C@H]1C(O)=O)C(O)=O Amb23452828 [0,0,0,1,0,0|2,0,1]=4 691 B10R1.360 N[C@]1(C[C@H]1C(O)=O)C(O)=O Amb24515142 [0,0,0,1,0,0|2,0,1]=4 692 B10R1.360 OC(=O)[C@@]1(Br)C[C@@H]1C(O)=O Amb24748251 [0,0,0,1,0,0|2,0,1]=4 693 B10R1.360 OC(=O)[C@@]1(Cl)C[C@H]1C(O)=O Amb25258365 [0,0,0,1,0,0|2,0,1]=4 694 B10R1.360 OC(=O)[C@]1(Cl)C[C@H]1C(O)=O Amb25179268 [0,0,0,1,0,0|2,0,1]=4 695 B10R1.368 OC(=O)CC1CC1C(O)=O Amb25111566 [0,0,0,1,0,0|2,0,1]=4 696 B10R1.470 CC1(CC(=O)CC1)C(O)=O Amb23454199 [0,0,0,1,0,0|2,0,1]=4 697 B10R1.470 CC1(CCC(=O)N1)C(O)=O Amb23515108 [0,0,0,1,0,0|1,0,1]=3 698 B10R1.470 CC1(CSC(=O)N1)C(O)=O Amb25780546 [0,0,0,1,0,0|2,0,1]=4 699 B10R1.470 C[C@@]1(COC(=O)N1)C(O)=O Amb25340464 [0,0,0,1,0,0|2,0,1]=4 700 B10R1.470 C[C@]1(CC(=O)CC1)C(O)=O Amb25693811 [0,0,0,1,0,0|2,0,1]=4 701 B10R1.470 C[C@]1(CSC(=O)N1)C(O)=O Amb25701127 [0,0,0,1,0,0|2,0,1]=4 702 B10R1.470 OC(=O)C1(O)COC(=O)N1 Amb25786464 [0,0,0,1,0,0|1,0,2]=4 703 B8R0.23 C=C(CC(=O)Cl)C(O)=O Amb25227983 [0,0,0,0,1,0|2,0,0]=3 704 B8R0.23 C=C(CC(N)=O)C(N)=O Amb25338425 [0,0,0,0,1,0|2,0,0]=3 705 B8R0.23 C=C(CC(N)=O)C(O)=O Amb24333452 [0,0,0,0,1,0|1,0,0]=2 706 B8R0.23 C=C(CC(O)=O)C(N)=O Amb22011744 [0,0,0,0,1,0|3,0,0]=4 707 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22731973 [0,0,0,0,1,0|2,0,1]=4 708 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22732122 [0,0,0,0,1,0|2,0,1]=4 709 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22732709 [0,0,0,0,1,0|2,0,1]=4 710 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22734239 [0,0,0,0,1,0|2,0,1]=4 711 B8R0.23 CC(=C)C(=O)OC(N)=O Amb25662245 [0,0,0,0,1,0|3,0,0]=4 712 B8R0.23 CC(=C)CC(=C)C(O)=O Amb24669131 [0,0,0,0,1,0|3,0,0]=4 713 B8R0.23 CC(=CC(N)=O)C(O)=O Amb24744881 [0,0,0,0,1,0|1,0,1]=3 714 B8R0.23 CC(=O)C(=O)CC(C)=O Amb25806867 [0,0,0,0,1,0|2,0,0]=3 715 B8R0.23 CC(=O)C(=O)CC(C)N Amb25769599 [0,0,0,0,1,0|2,0,1]=4 716 B8R0.23 CC(=O)C(=O)NC(N)=O Amb24411479 [0,0,0,0,1,0|2,0,0]=3 717 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [0,0,0,0,1,0|2,0,1]=4 718 B8R0.23 CC(=O)CC(=O)C(C)=C Amb17934088 [0,0,0,0,1,0|3,0,0]=4 719 B8R0.23 CC(=O)CC(=O)C(O)=O Amb18642736 [0,0,0,0,1,0|1,0,0]=2 720 B8R0.23 CC(=O)CC(=O)N(C)O Amb24096670 [0,0,0,0,1,0|3,0,0]=4 721 B8R0.23 CC(=O)CC(Br)C(O)=O Amb24710683 [0,0,0,0,1,0|2,0,1]=4 722 B8R0.23 CC(=O)CC(N)C(O)=O Amb18832532 [0,0,0,0,1,0|2,0,1]=4 723 B8R0.23 CC(=O)CC(N)C(O)=O Amb22546289 [0,0,0,0,1,0|2,0,1]=4 724 B8R0.23 CC(=O)CC(O)C(O)=O Amb22500917 [0,0,0,0,1,0|1,0,2]=4 725 B8R0.23 CC(=O)C[C@@H](C)C(O)=O Amb24369598 [0,0,0,0,1,0|2,0,1]=4 726 B8R0.23 CC(=O)C[C@@H](N)C(O)=O Amb22745939 [0,0,0,0,1,0|2,0,1]=4 727 B8R0.23 CC(=O)C[C@H](O)C(O)=O Amb24358758 [0,0,0,0,1,0|1,0,2]=4 728 B8R0.23 CC(=O)\C=C(/Br)\C(O)=O Amb24739508 [0,0,0,0,1,0|2,0,1]=4 729 B8R0.23 CC(=O)\C=C(/C)\C(O)=O Amb18642577 [0,0,0,0,1,0|2,0,1]=4 730 B8R0.23 CC(=O)\C=C(\C)/C(O)=O Amb24582978 [0,0,0,0,1,0|2,0,1]=4 731 B8R0.23 CC(=O)\C=C(\O)/C(O)=O Amb25856143 [0,0,0,0,1,0|1,0,2]=4 732 B8R0.23 CC(C)=C(Br)CC(N)=O Amb24478813 [0,0,0,0,1,0|3,0,0]=4 733 B8R0.23 CC(C)=C(Cl)CC(N)=O Amb24679667 [0,0,0,0,1,0|3,0,0]=4 734 B8R0.23 CC(C)=CC(=O)C(O)=O Amb18642579 [0,0,0,0,1,0|2,0,1]=4 735 B8R0.23 CC(CC(O)=O)=P(O)=O Amb25264110 [0,0,0,0,1,0|3,0,0]=4 736 B8R0.23 CC(N)C(=O)CC(N)=O Amb24712024 [0,0,0,0,1,0|2,0,1]=4 737 B8R0.23 CC(O)=CC(=O)C(O)=O Amb25047399 [0,0,0,0,1,0|1,0,2]=4 738 B8R0.23 CC(O)CC(=O)C(O)=O Amb25789747 [0,0,0,0,1,0|1,0,2]=4 739 B8R0.23 CN(C)C(=O)CC(N)=O Amb17760295 [0,0,0,0,1,0|3,0,0]=4 740 B8R0.23 C[C@@H](CC(O)=O)C(O)=O Amb22226742 [0,0,0,0,1,0|2,0,1]=4 741 B8R0.23 C[C@@H](O)CC(=O)C(O)=O Amb25239377 [0,0,0,0,1,0|1,0,2]=4 742 B8R0.23 C[C@H](CC(N)=O)C(N)=O Amb25126983 [0,0,0,0,1,0|2,0,1]=4 743 B8R0.23 C[C@H](CC(N)=O)C(O)=O Amb25077589 [0,0,0,0,1,0|1,0,1]=3 744 B8R0.23 C[C@H](CC(O)=O)C(O)=O Amb22225399 [0,0,0,0,1,0|2,0,1]=4 745 B8R0.23 C[C@H](O)CC(=O)C(O)=O Amb25859340 [0,0,0,0,1,0|1,0,2]=4 746 B8R0.23 C[C@H](OC(N)=O)C(O)=O Amb24427686 [0,0,0,0,1,0|2,0,1]=4 747 B8R0.23 C[S+](C)CC(=O)C(O)=O Amb24524581 [0,0,0,0,1,0|3,0,0]=4 748 B8R0.23 C\C(=C\C(N)=O)\C(N)=O Amb25146105 [0,0,0,0,1,0|2,0,1]=4 749 B8R0.23 C\C(=C\C(N)=O)\C(O)=O Amb25199871 [0,0,0,0,1,0|1,0,1]=3 750 B8R0.23 ClC(=O)CC(=C)C(Cl)=O Amb17938995 [0,0,0,0,1,0|3,0,0]=4 751 B8R0.23 NC(=N)NC(=O)C(O)=O Amb24562832 [0,0,0,0,1,0|2,0,0]=3 752 B8R0.23 NC(=O)C(Br)CC(N)=O Amb24373945 [0,0,0,0,1,0|2,0,1]=4 753 B8R0.23 NC(=O)C(N)CC(N)=O Amb18289248 [0,0,0,0,1,0|2,0,1]=4 754 B8R0.23 NC(=O)CC(=O)C(O)=O Amb25146116 [0,0,0,0,1,0|0,0,0]=1 755 B8R0.23 NC(=O)CC(Cl)=C(Cl)Cl Amb25794237 [0,0,0,0,1,0|3,0,0]=4 756 B8R0.23 NC(=O)C[C@@H](C(=O)N)N Amb16183882 [0,0,0,0,1,0|2,0,1]=4 757 B8R0.23 NC(=O)C[C@@H](C(=O)O)C Amb10843937 [0,0,0,0,1,0|1,0,1]=3 758 B8R0.23 NC(=O)C[C@@H](O)C(O)=O Amb24681022 [0,0,0,0,1,0|0,0,2]=3 759 B8R0.23 NC(=O)C[C@H](Br)C(O)=O Amb25137878 [0,0,0,0,1,0|1,0,1]=3 760 B8R0.23 NC(=O)C[C@H](C(=O)O)N Amb10071271 [0,0,0,0,1,0|1,0,1]=3 761 B8R0.23 NC(=O)C[C@H](Cl)C(O)=O Amb24479999 [0,0,0,0,1,0|1,0,1]=3 762 B8R0.23 NC(=O)C[C@H]([15NH2])C(O)=O Amb22338491 [0,0,0,0,1,0|1,0,1]=3 763 B8R0.23 NC(=O)NC(=O)C(O)=O Amb18124345 [0,0,0,0,1,0|1,0,0]=2 764 B8R0.23 NC(=O)NC(N)C(O)=O Amb24418886 [0,0,0,0,1,0|2,0,1]=4 765 B8R0.23 NC(=O)NC(O)C(O)=O Amb22350130 [0,0,0,0,1,0|1,0,2]=4 766 B8R0.23 NC(=O)NC(O)C(O)=O Amb24592607 [0,0,0,0,1,0|1,0,2]=4 767 B8R0.23 NC(=O)[C@@H](N)CC(N)=O Amb22801077 [0,0,0,0,1,0|2,0,1]=4 768 B8R0.23 NC(=O)[C@@H](O)CC(N)=O Amb24435465 [0,0,0,0,1,0|1,0,2]=4 769 B8R0.23 NC(=O)[C@H](Br)CC(N)=O Amb24480049 [0,0,0,0,1,0|2,0,1]=4 770 B8R0.23 NC(=O)\C(\Cl)=C/C(N)=O Amb24598183 [0,0,0,0,1,0|2,0,1]=4 771 B8R0.23 NC(=O)\C(\Cl)=C\C(N)=O Amb25369859 [0,0,0,0,1,0|2,0,1]=4 772 B8R0.23 NC(=O)\C=C(\Cl)/C(O)=O Amb24540540 [0,0,0,0,1,0|1,0,1]=3 773 B8R0.23 NC(=S)CC(N)C(O)=O Amb24728838 [0,0,0,0,1,0|1,1,1]=4 774 B8R0.23 NC(CC(O)=O)C(O)=O Amb22730002 [0,0,0,0,1,0|2,0,1]=4 775 B8R0.23 NC(CC(O)=O)[13C](O)=O Amb22351321 [0,0,0,0,1,0|2,0,1]=4 776 B8R0.23 NC(CC([O-])=O)C(O)=O Amb22731484 [0,0,0,0,1,0|2,0,1]=4 777 B8R0.23 NC(CS(N)=O)C(O)=O Amb25139436 [0,0,0,0,1,0|2,0,1]=4 778 B8R0.23 NC(C[13C](O)=O)C(O)=O Amb22362630 [0,0,0,0,1,0|2,0,1]=4 779 B8R0.23 NC(C[13C](O)=O)[13C](O)=O Amb22353605 [0,0,0,0,1,0|2,0,1]=4 780 B8R0.23 NC([13CH2]C(O)=O)C(O)=O Amb22336729 [0,0,0,0,1,0|2,0,1]=4 781 B8R0.23 N[13C@@H](CC(O)=O)[13C](O)=O Amb22353606 [0,0,0,0,1,0|2,0,1]=4 782 B8R0.23 N[13C](=O)[13CH2][13C@H](N)[13C](O)=O Amb22367522 [0,0,0,0,1,0|1,0,1]=3 783 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb20240565 [0,0,0,0,1,0|2,0,1]=4 784 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb22748769 [0,0,0,0,1,0|2,0,1]=4 785 B8R0.23 N[C@@H](C[13C](N)=O)C(O)=O Amb22353613 [0,0,0,0,1,0|1,0,1]=3 786 B8R0.23 N[C@@H]([13CH2][13C](O)=O)C(O)=O Amb22367550 [0,0,0,0,1,0|2,0,1]=4 787 B8R0.23 N[C@H](CC(N)=O)C(O)=O Amb17749060 [0,0,0,0,1,0|1,0,1]=3 788 B8R0.23 OC(=O)C(=O)C=C(Cl)Cl Amb25188933 [0,0,0,0,1,0|2,0,1]=4 789 B8R0.23 OC(=O)C(=S)CC(O)=O Amb25304511 [0,0,0,0,1,0|1,1,0]=3 790 B8R0.23 OC(=O)C(F)CC(O)=O Amb25077170 [0,0,0,0,1,0|2,0,1]=4 791 B8R0.23 OC(=O)C(O)CC(=O)S Amb25690206 [0,0,0,0,1,0|1,0,2]=4 792 B8R0.23 OC(=O)C(O)CC(O)=O Amb21935660 [0,0,0,0,1,0|1,0,2]=4 793 B8R0.23 OC(=O)C(S)CC(O)=O Amb22729564 [0,0,0,0,1,0|1,1,1]=4 794 B8R0.23 OC(=O)CC(=O)C(=O)C Amb17593364 [0,0,0,0,1,0|2,0,0]=3 795 B8R0.23 OC(=O)CC(C(=O)O)C Amb1935053 [0,0,0,0,1,0|2,0,1]=4 796 B8R0.23 OC(=O)CC(O)C(O)=O Amb22734584 [0,0,0,0,1,0|1,0,2]=4 797 B8R0.23 OC(=O)C[C@@H](C(=O)O)N Amb16232085 [0,0,0,0,1,0|2,0,1]=4 798 B8R0.23 OC(=O)[13CH](O)CC(O)=O Amb22367337 [0,0,0,0,1,0|1,0,2]=4 799 B8R0.23 OC(=O)[C@@H](Cl)CC(O)=O Amb20242425 [0,0,0,0,1,0|2,0,1]=4 800 B8R0.23 OC(=O)[C@@H](S)CC(O)=O Amb22504526 [0,0,0,0,1,0|1,1,1]=4 801 B8R0.23 OC(=O)[C@H](Br)CC(O)=O Amb22504149 [0,0,0,0,1,0|2,0,1]=4 802 B8R0.23 OC(=O)[C@H](Cl)CC(O)=O Amb20242424 [0,0,0,0,1,0|2,0,1]=4 803 B8R0.23 OC(=O)[C@H](S)CC(O)=O Amb25124090 [0,0,0,0,1,0|1,1,1]=4 804 B8R0.23 OC(=O)\C(\Br)=C/C(O)=O Amb25746120 [0,0,0,0,1,0|2,0,1]=4 805 B8R0.23 OC(=O)\C(\Cl)=C/C(O)=O Amb24481892 [0,0,0,0,1,0|2,0,1]=4 806 B8R0.23 OC(=O)\C(\F)=C/C(O)=O Amb18124397 [0,0,0,0,1,0|2,0,1]=4 807 B8R0.23 OC(=O)\C(\I)=C/C(O)=O Amb25736420 [0,0,0,0,1,0|2,0,1]=4 808 B8R0.23 O[13C](=O)[13CH2][13CH]([13C](=O)O)O Amb17616665 [0,0,0,0,1,0|1,0,2]=4 809 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22337484 [0,0,0,0,1,0|1,0,1]=3 810 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22351412 [0,0,0,0,1,0|1,0,1]=3 811 B8R0.23 [15NH2]C(CC(O)=O)C(O)=O Amb22731529 [0,0,0,0,1,0|2,0,1]=4 812 B8R0.23 [15NH2][13C@@H]([13CH2][13C](O)=O)[13C](O)=O Amb22353584 [0,0,0,0,1,0|2,0,1]=4 813 B8R0.23 [15NH2][13CH](CC(O)=O)C(O)=O Amb22351286 [0,0,0,0,1,0|2,0,1]=4 814 B8R0.23 [15NH2][13C](=O)[13CH2][13C@H]([15NH2])[13C](O)=O Amb22337495 [0,0,0,0,1,0|1,0,1]=3 815 B8R0.23 [15NH2][C@@H](CC(O)=O)[13C](O)=O Amb22367524 [0,0,0,0,1,0|2,0,1]=4 816 B8R0.23 [O-]C(=O)CC(O)C(O)=O Amb22734911 [0,0,0,0,1,0|1,0,2]=4 817 B10R0.96 C=C(Cl)CNC(=O)CC(O)=O Amb25382058 [0,0,0,0,0,1|3,0,0]=4 818 B10R0.96 CC(=C)CNC(=O)CC(O)=O Amb24755303 [0,0,0,0,0,1|3,0,0]=4 819 B10R0.96 CC(=CC(O)=O)SCC(O)=O Amb25384901 [0,0,0,0,0,1|3,0,0]=4 820 B10R0.96 CC(=O)CC(=O)NCC(N)=O Amb18179799 [0,0,0,0,0,1|2,0,0]=3 821 B10R0.96 CC(=O)CC(=O)NCC(O)=O Amb19011373 [0,0,0,0,0,1|3,0,0]=4 822 B10R0.96 CC(=O)CC(C)=NCC(N)=O Amb24766233 [0,0,0,0,0,1|3,0,0]=4 823 B10R0.96 CC(=O)CCC(C)=CC(C)=O Amb24765428 [0,0,0,0,0,1|3,0,0]=4 824 B10R0.96 CC(=O)CC\C(\C)=C\C(C)=O Amb24765127 [0,0,0,0,0,1|3,0,0]=4 825 B10R0.96 CC(=O)CNC(=O)CC(C)=O Amb25384669 [0,0,0,0,0,1|3,0,0]=4 826 B10R0.96 CC(=O)NC(=O)NCC(O)=O Amb24373173 [0,0,0,0,0,1|3,0,0]=4 827 B10R0.96 CC(=O)NCC(=O)CC(N)=O Amb24764687 [0,0,0,0,0,1|3,0,0]=4 828 B10R0.96 CC(=O)NNC(=O)CC(O)=O Amb25326273 [0,0,0,0,0,1|3,0,0]=4 829 B10R0.96 CC(=O)OC(=O)C=NC(N)=O Amb24766277 [0,0,0,0,0,1|2,0,1]=4 830 B10R0.96 CC(=O)OC(=O)\C=N\C(N)=O Amb24764846 [0,0,0,0,0,1|2,0,1]=4 831 B10R0.96 CC(=O)OCC(=O)NC(N)=O Amb24433334 [0,0,0,0,0,1|3,0,0]=4 832 B10R0.96 CC(=O)SCC(=O)NC(C)=O Amb24420373 [0,0,0,0,0,1|3,0,0]=4 833 B10R0.96 CC(=O)SCC(=O)NC(N)=O Amb25336044 [0,0,0,0,0,1|3,0,0]=4 834 B10R0.96 CC(=O)\C=C(\C)/NCC(N)=O Amb24594399 [0,0,0,0,0,1|3,0,0]=4 835 B10R0.96 CC(C)=CC(=O)CCC(O)=O Amb25386197 [0,0,0,0,0,1|3,0,0]=4 836 B10R0.96 CC(C)=CC(=O)NCC(N)=O Amb25846350 [0,0,0,0,0,1|3,0,0]=4 837 B10R0.96 CC(C=C(C)O)=NCC(N)=O Amb24540837 [0,0,0,0,0,1|3,0,0]=4 838 B10R0.96 CC(CC(O)=O)=NCC(O)=O Amb25385177 [0,0,0,0,0,1|3,0,0]=4 839 B10R0.96 CC(CC(O)=O)CNC(N)=O Amb24755267 [0,0,0,0,0,1|2,0,1]=4 840 B10R0.96 CC(N)CCC(=O)NC(N)=O Amb24649550 [0,0,0,0,0,1|2,0,1]=4 841 B10R0.96 CC(NC(=O)CCC(=O)N)C Amb17142886 [0,0,0,0,0,1|2,0,1]=4 842 B10R0.96 CC(O)=CC(=O)CCC(O)=O Amb25386411 [0,0,0,0,0,1|2,0,0]=3 843 B10R0.96 C\C(=C\C(O)=O)\C=C\C(N)=O Amb25362081 [0,0,0,0,0,1|1,0,2]=4 844 B10R0.96 C\C(\CCC(C)=C)=C/C(O)=O Amb25386194 [0,0,0,0,0,1|3,0,0]=4 845 B10R0.96 NC(=N)NC(=O)CCC(O)=O Amb25288068 [0,0,0,0,0,1|3,0,0]=4 846 B10R0.96 NC(=N)NNC(=O)CC(O)=O Amb24726358 [0,0,0,0,0,1|3,0,0]=4 847 B10R0.96 NC(=O)CCC(=O)NC(N)=S Amb25362205 [0,0,0,0,0,1|1,1,0]=3 848 B10R0.96 NC(=O)CC[C@@H](N)CC(O)=O Amb22746285 [0,0,0,0,0,1|1,0,1]=3 849 B10R0.96 NC(=O)CC[C@H](N)CC(O)=O Amb22348459 [0,0,0,0,0,1|1,0,1]=3 850 B10R0.96 NC(=O)CNC(=O)CC(O)=O Amb18315747 [0,0,0,0,0,1|1,0,0]=2 851 B10R0.96 NC(=O)C\C=C(/Cl)\CC(N)=O Amb24764764 [0,0,0,0,0,1|2,0,1]=4 852 B10R0.96 NC(=O)C\C=C(\Cl)/CC(N)=O Amb24766270 [0,0,0,0,0,1|2,0,1]=4 853 B10R0.96 NC(=O)NC(=O)CSC(N)=N Amb25276910 [0,0,0,0,0,1|3,0,0]=4 854 B10R0.96 NC(=S)NC(=O)CCC(O)=O Amb24487889 [0,0,0,0,0,1|2,1,0]=4 855 B10R0.96 NC(=S)NNC(=O)CC(O)=O Amb25793715 [0,0,0,0,0,1|2,1,0]=4 856 B10R0.96 NC(CC(O)=O)CCC(O)=O Amb22552564 [0,0,0,0,0,1|2,0,1]=4 857 B10R0.96 N[C@@H](CC(O)=O)CCC(O)=O Amb22750585 [0,0,0,0,0,1|2,0,1]=4 858 B10R0.96 OC(=O)CCC(=O)CC(=O)C Amb10843902 [0,0,0,0,0,1|2,0,0]=3 859 B10R0.96 OC(=O)CCC(=O)CC(O)=O Amb17689277 [0,0,0,0,0,1|1,0,0]=2 860 B10R0.96 OC(=O)CC[C@@H](CC(=O)O)N Amb16232070 [0,0,0,0,0,1|2,0,1]=4 861 B10R0.96 OC(=O)CNC(=O)CC(O)=O Amb18800491 [0,0,0,0,0,1|2,0,0]=3 862 B10R0.96 OC(=O)C[13CH2][13C](=O)[13CH2][13C](=O)[13CH3] Amb17620214 [0,0,0,0,0,1|2,0,0]=3 863 B10R0.96 OC(CC(O)=O)CCC(O)=O Amb22727761 [0,0,0,0,0,1|1,0,2]=4 864 B10R0.98 CC(=C)CCNC(=O)C(O)=O Amb24767249 [0,0,0,0,0,1|2,0,0]=3 865 B10R0.98 CC(=NOCC(O)=O)C(O)=O Amb25384896 [0,0,0,0,0,1|3,0,0]=4 866 B10R0.98 CC(=O)CC\C=C(/C)\C(O)=O Amb18125973 [0,0,0,0,0,1|2,0,0]=3 867 B10R0.98 CC(=O)CC\C=C(\Cl)/C(C)=O Amb24765211 [0,0,0,0,0,1|3,0,0]=4 868 B10R0.98 CC(=O)NCCC(N)C(O)=O Amb25385160 [0,0,0,0,0,1|2,0,1]=4 869 B10R0.98 CC(=O)NCC[C@@H](C)C(O)=O Amb25384439 [0,0,0,0,0,1|2,0,1]=4 870 B10R0.98 CC(=O)NCC[C@H](C)C(O)=O Amb25384440 [0,0,0,0,0,1|2,0,1]=4 871 B10R0.98 CC(=O)OCC[C@@H](N)C(O)=O Amb19130288 [0,0,0,0,0,1|2,0,1]=4 872 B10R0.98 CC(=O)OC\C=C(/C)\C(O)=O Amb25386222 [0,0,0,0,0,1|2,0,1]=4 873 B10R0.98 CC(C(=O)NCCC(=O)N)C Amb17232246 [0,0,0,0,0,1|2,0,1]=4 874 B10R0.98 CC(C)=CCCC(=O)C(=O)Cl Amb24765180 [0,0,0,0,0,1|3,0,0]=4 875 B10R0.98 CC(CCCC(O)=O)C(O)=O Amb18645273 [0,0,0,0,0,1|2,0,1]=4 876 B10R0.98 CC(N)CCNC(=O)C(O)=O Amb24756130 [0,0,0,0,0,1|1,0,1]=3 877 B10R0.98 CC(NCCC(O)=O)C(O)=O Amb18098310 [0,0,0,0,0,1|2,0,1]=4 878 B10R0.98 CC(O)C(=O)NCCC(N)=O Amb24766280 [0,0,0,0,0,1|1,0,1]=3 879 B10R0.98 CC(S)C(=O)NCCC(N)=O Amb24751266 [0,0,0,0,0,1|1,1,1]=4 880 B10R0.98 CN(C)C(=O)CCNC(N)=O Amb18183325 [0,0,0,0,0,1|3,0,0]=4 881 B10R0.98 C[C@@H](N)C(=O)NCCC(N)=O Amb18792076 [0,0,0,0,0,1|2,0,1]=4 882 B10R0.98 C[C@@H](O)C(=O)NOCC(N)=O Amb24750872 [0,0,0,0,0,1|2,0,1]=4 883 B10R0.98 C\C(=C/CCC(O)=O)\C(O)=O Amb25385138 [0,0,0,0,0,1|2,0,0]=3 884 B10R0.98 NC(=N)C(=O)NCCC(O)=O Amb25382159 [0,0,0,0,0,1|3,0,0]=4 885 B10R0.98 NC(=N)NCCC(C(=O)O)N Amb16233058 [0,0,0,0,0,1|2,0,1]=4 886 B10R0.98 NC(=N)NCC[C@@H](N)C(O)=O Amb22745595 [0,0,0,0,0,1|2,0,1]=4 887 B10R0.98 NC(=N)NCC[C@H](N)C(O)=O Amb20240584 [0,0,0,0,0,1|2,0,1]=4 888 B10R0.98 NC(=O)C(=O)NN=CC(N)=O Amb24604842 [0,0,0,0,0,1|2,0,1]=4 889 B10R0.98 NC(=O)C(=O)N\N=C\C(N)=O Amb25114705 [0,0,0,0,0,1|2,0,1]=4 890 B10R0.98 NC(=O)C(=O)\C=C\CC(O)=O Amb25384982 [0,0,0,0,0,1|2,0,1]=4 891 B10R0.98 NC(=O)CCCC(C(=O)O)N Amb17614984 [0,0,0,0,0,1|1,0,1]=3 892 B10R0.98 NC(=O)NCCC(N)C(O)=O Amb25386183 [0,0,0,0,0,1|1,0,1]=3 893 B10R0.98 NC(=O)NCCC(S)C(O)=O Amb25385685 [0,0,0,0,0,1|0,1,1]=3 894 B10R0.98 NC(=O)NCC[C@@H](N)C(O)=O Amb25385246 [0,0,0,0,0,1|1,0,1]=3 895 B10R0.98 NC(=O)NCC[C@H](N)C(O)=O Amb25386286 [0,0,0,0,0,1|1,0,1]=3 896 B10R0.98 NC(=O)NCC[C@H](S)C(O)=O Amb25385201 [0,0,0,0,0,1|0,1,1]=3 897 B10R0.98 NC(CCCC(O)=O)C(O)=O Amb22740152 [0,0,0,0,0,1|2,0,1]=4 898 B10R0.98 NC(CSCC(O)=O)C(O)=O Amb23566716 [0,0,0,0,0,1|2,0,1]=4 899 B10R0.98 NC(N)=NCCC(N)C(O)=O Amb22492813 [0,0,0,0,0,1|2,0,1]=4 900 B10R0.98 N[C@H](CSCC(O)=O)C(O)=O Amb22745445 [0,0,0,0,0,1|2,0,1]=4 901 B10R0.98 OC(=O)C(=O)C\C=C\C(O)=O Amb24766946 [0,0,0,0,0,1|1,0,1]=3 902 B10R0.98 OC(=O)CCCC(O)C(O)=O Amb21963897 [0,0,0,0,0,1|1,0,2]=4 903 B10R0.98 OC(=O)CCC[C@H](O)C(O)=O Amb22270000 [0,0,0,0,0,1|1,0,2]=4 904 B10R0.98 OC(=O)CCSC(C(=O)O)C Amb17501234 [0,0,0,0,0,1|2,0,1]=4 905 B10R0.98 OC(=O)CONC(=O)C(=O)O Amb16185780 [0,0,0,0,0,1|2,0,0]=3 906 B10R0.98 OC(=O)CSC[C@@H](C(=O)O)N Amb16232500 [0,0,0,0,0,1|2,0,1]=4 907 B10R0.98 OC(=O)\C(\O)=C/SCC(O)=O Amb25386410 [0,0,0,0,0,1|1,0,2]=4 908 B7R0.3 C=CC(=C)CCC=O Amb18123988 [2,0,0,0,0,0|2,0,0]=4 909 B7R0.3 C=CC(=O)CCCN Amb25662517 [2,0,0,0,0,0|1,0,1]=4 910 B7R0.3 C=CCCC(=C)C=O Amb25800063 [2,0,0,0,0,0|2,0,0]=4 911 B7R0.3 C=CCCC(=O)C=C Amb24524288 [2,0,0,0,0,0|2,0,0]=4 912 B7R0.3 C=CCCC(=O)CO Amb25763185 [2,0,0,0,0,0|1,0,1]=4 913 B7R0.3 C=CCOC(=O)C=O Amb18641760 [2,0,0,0,0,0|2,0,0]=4 914 B7R0.3 CCC(=O)CCC=O Amb18641783 [2,0,0,0,0,0|1,0,1]=4 915 B7R0.3 CCCCC(=O)C=O Amb18124252 [2,0,0,0,0,0|1,0,1]=4 916 B7R0.3 COC(=O)CCC=O Amb18124259 [2,0,0,0,0,0|2,0,0]=4 917 B7R0.3 COCCC(=O)C=O Amb24722152 [2,0,0,0,0,0|2,0,0]=4 918 B7R0.3 C[C@H](CCC=O)C=O Amb24707164 [2,0,0,0,0,0|1,0,1]=4 919 B7R0.3 C\C=C(/C)\CCC=O Amb18641710 [2,0,0,0,0,0|2,0,0]=4 920 B7R0.3 C\C=C(\C)/CCC=O Amb24425599 [2,0,0,0,0,0|2,0,0]=4 921 B7R0.3 O=CC(=O)CCCCl Amb24385284 [2,0,0,0,0,0|1,0,1]=4 922 B7R0.3 O=CC(Cl)=CCC=O Amb24745897 [2,0,0,0,0,0|1,0,1]=4 923 B7R0.3 O=CCCC(=O)C=O Amb25024665 [2,0,0,0,0,0|0,0,0]=2 924 B7R0.3 O=C\C=C/C(=O)C=O Amb25743044 [2,0,0,0,0,0|0,0,2]=4 925 B7R0.4 C=CCCCC(N)=O Amb24579642 [2,0,0,0,0,0|1,0,1]=4 926 B7R0.4 C=CC\C=C\C(O)=O Amb18641681 [2,0,0,0,0,0|1,0,1]=4 927 B7R0.4 C=C\C=C\CC(N)=O Amb25848874 [2,0,0,0,0,0|1,0,1]=4 928 B7R0.4 CC(=O)CCCC=O Amb18641775 [2,0,0,0,0,0|1,0,1]=4 929 B7R0.4 CC(=O)CCNC=O Amb25075578 [2,0,0,0,0,0|2,0,0]=4 930 B7R0.4 CC(=O)CCOC=O Amb24408302 [2,0,0,0,0,0|2,0,0]=4 931 B7R0.4 CC(=O)CC\C=C/Br Amb25758398 [2,0,0,0,0,0|2,0,0]=4 932 B7R0.4 CC(=O)CC\C=C\Br Amb25336747 [2,0,0,0,0,0|2,0,0]=4 933 B7R0.4 CC(=O)OCCC=O Amb18641862 [2,0,0,0,0,0|2,0,0]=4 934 B7R0.4 CC(=O)SCCC=O Amb25101351 [2,0,0,0,0,0|2,0,0]=4 935 B7R0.4 CC(=O)SC\C=C\O Amb24371969 [2,0,0,0,0,0|2,0,0]=4 936 B7R0.4 C\C(\F)=C\CCC=O Amb25290222 [2,0,0,0,0,0|2,0,0]=4 937 B7R0.4 C\C=C/CCC(C)=O Amb24333832 [2,0,0,0,0,0|2,0,0]=4 938 B7R0.4 C\C=C\CCC(=O)Cl Amb25246754 [2,0,0,0,0,0|2,0,0]=4 939 B7R0.4 C\C=C\CCC(=O)O Amb10071500 [2,0,0,0,0,0|2,0,0]=4 940 B7R0.4 C\C=C\CCC(N)=O Amb25343167 [2,0,0,0,0,0|1,0,0]=3 941 B7R0.4 NC(=O)CCNC=O Amb24630476 [2,0,0,0,0,0|1,0,0]=3 942 B7R0.4 NC(=O)CC\C=C\Cl Amb25173831 [2,0,0,0,0,0|1,0,0]=3 943 B7R0.4 NC(=O)CONC=O Amb25783022 [2,0,0,0,0,0|2,0,0]=4 944 B7R0.4 NC(=O)CSCC=O Amb25806671 [2,0,0,0,0,0|1,0,1]=4 945 B7R0.4 NCCCNC(O)=O Amb24093884 [2,0,0,0,0,0|1,0,1]=4 946 B7R0.4 NCC\C=C\C(O)=O Amb25266868 [2,0,0,0,0,0|0,0,2]=4 947 B7R0.4 NNCCCC(O)=O Amb24455803 [2,0,0,0,0,0|1,0,1]=4 948 B7R0.4 NOCCCC(=O)O Amb10975956 [2,0,0,0,0,0|1,0,1]=4 949 B7R0.4 NOCCCC(O)=O Amb22011795 [2,0,0,0,0,0|1,0,1]=4 950 B7R0.4 O=CCCC=C(C)C Amb17593168 [2,0,0,0,0,0|2,0,0]=4 951 B7R0.4 O=CCCC=C(F)F Amb25827612 [2,0,0,0,0,0|2,0,0]=4 952 B7R0.4 O=CCCCC(=O)O Amb17593198 [2,0,0,0,0,0|0,0,1]=3 953 B7R0.4 O=CCCNC(=O)C Amb17102165 [2,0,0,0,0,0|2,0,0]=4 954 B7R0.4 OC(=O)CCNC=O Amb18290434 [2,0,0,0,0,0|1,0,1]=4 955 B7R0.4 OC(=O)CC\C=C\Br Amb25238247 [2,0,0,0,0,0|2,0,0]=4 956 B7R0.4 OC(=O)CC\C=C\Cl Amb25803087 [2,0,0,0,0,0|2,0,0]=4 957 B7R0.4 OC(=O)CSCC=O Amb24628311 [2,0,0,0,0,0|1,0,1]=4 958 B7R0.4 OC(=O)C\C=C\C=O Amb24437944 [2,0,0,0,0,0|1,0,1]=4 959 B7R0.5 C=C(CC=C)C(O)=O Amb18641687 [2,0,0,0,0,0|1,0,1]=4 960 B7R0.5 C=C(CON)C(O)=O Amb25778441 [2,0,0,0,0,0|2,0,0]=4 961 B7R0.5 CC(=C)C(=O)CCN Amb25694471 [2,0,0,0,0,0|2,0,0]=4 962 B7R0.5 CC(=CCN)C(O)=O Amb25845292 [2,0,0,0,0,0|1,0,1]=4 963 B7R0.5 CC(=O)C(=O)CC=O Amb24524264 [2,0,0,0,0,0|1,0,0]=3 964 B7R0.5 CC(=O)C(=O)CCO Amb25074119 [2,0,0,0,0,0|1,0,1]=4 965 B7R0.5 CC(CCN)C(O)=O Amb20667970 [2,0,0,0,0,0|1,0,1]=4 966 B7R0.5 CCCC(=C)C(O)=O Amb18641779 [2,0,0,0,0,0|1,0,1]=4 967 B7R0.5 CCCC(=O)C(=O)Cl Amb24690783 [2,0,0,0,0,0|1,0,1]=4 968 B7R0.5 CCCC(=O)C(N)=O Amb24473081 [2,0,0,0,0,0|1,0,1]=4 969 B7R0.5 CCCC(=O)C(O)=O Amb22347924 [2,0,0,0,0,0|0,0,1]=3 970 B7R0.5 CCCC(=O)C(O)=O Amb22733540 [2,0,0,0,0,0|0,0,1]=3 971 B7R0.5 CCOC(=O)C(=O)O Amb16192090 [2,0,0,0,0,0|1,0,1]=4 972 B7R0.5 CN(O)C(=O)CCN Amb24617644 [2,0,0,0,0,0|2,0,0]=4 973 B7R0.5 COCC(=O)C(O)=O Amb25304863 [2,0,0,0,0,0|1,0,1]=4 974 B7R0.5 C[C@H](C(=O)O)CCN Amb10844043 [2,0,0,0,0,0|1,0,1]=4 975 B7R0.5 C[Se]CC(=O)C(=O)O Amb17617778 [2,0,0,0,0,0|1,0,1]=4 976 B7R0.5 C\C=C\C(=O)C(O)=O Amb24568283 [2,0,0,0,0,0|1,0,1]=4 977 B7R0.5 NCCC(=O)C(O)=O Amb25724685 [2,0,0,0,0,0|0,0,0]=2 978 B7R0.5 NCCC(C(=O)O)F Amb10838221 [2,0,0,0,0,0|1,0,1]=4 979 B7R0.5 NCCC(C(=O)O)O Amb16232090 [2,0,0,0,0,0|0,0,2]=4 980 B7R0.5 NCCC(Cl)C(O)=O Amb18124502 [2,0,0,0,0,0|1,0,1]=4 981 B7R0.5 NCCC(F)C(O)=O Amb22229524 [2,0,0,0,0,0|1,0,1]=4 982 B7R0.5 NCCC(N)C(O)=O Amb17678762 [2,0,0,0,0,0|1,0,1]=4 983 B7R0.5 NCCC(N)C(O)=O Amb22348212 [2,0,0,0,0,0|1,0,1]=4 984 B7R0.5 NCCC(S)C(O)=O Amb25083375 [2,0,0,0,0,0|0,1,1]=4 985 B7R0.5 NCC[C@@H](Cl)C(O)=O Amb24481492 [2,0,0,0,0,0|1,0,1]=4 986 B7R0.5 NCC[C@@H](F)C(O)=O Amb24055858 [2,0,0,0,0,0|1,0,1]=4 987 B7R0.5 NCC[C@@H](N)C(O)=O Amb22750574 [2,0,0,0,0,0|1,0,1]=4 988 B7R0.5 NCC[C@@H](N)C(O)=O Amb23438994 [2,0,0,0,0,0|1,0,1]=4 989 B7R0.5 NCC[C@@H](O)C(O)=O Amb22225364 [2,0,0,0,0,0|0,0,2]=4 990 B7R0.5 NCC[C@@H](O)C(O)=O Amb22748225 [2,0,0,0,0,0|0,0,2]=4 991 B7R0.5 NCC[C@H](F)C(O)=O Amb24055857 [2,0,0,0,0,0|1,0,1]=4 992 B7R0.5 NCC[C@H](N)C(O)=O Amb22886961 [2,0,0,0,0,0|1,0,1]=4 993 B7R0.5 NC\C=C(/Br)\C(O)=O Amb24483175 [2,0,0,0,0,0|1,0,1]=4 994 B7R0.5 NC\C=C(\Br)/C(O)=O Amb24627030 [2,0,0,0,0,0|1,0,1]=4 995 B7R0.5 NC\C=C(\Cl)/C(O)=O Amb25231611 [2,0,0,0,0,0|1,0,1]=4 996 B7R0.5 N[C@@H](C(=O)O)CCN Amb16183852 [2,0,0,0,0,0|1,0,1]=4 997 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22746780 [2,0,0,0,0,0|1,0,1]=4 998 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22748768 [2,0,0,0,0,0|1,0,1]=4 999 B7R0.5 N[C@H](C(=O)O)CCN Amb16183862 [2,0,0,0,0,0|1,0,1]=4 1000 B7R0.5 O=CCC(C(=O)O)N Amb16232081 [2,0,0,0,0,0|1,0,1]=4 1001 B7R0.5 OC(=O)C(=O)CCCl Amb24592167 [2,0,0,0,0,0|1,0,0]=3 1002 B7R0.5 OC(=O)C(=O)CCO Amb25677024 [2,0,0,0,0,0|0,0,1]=3 1003 B7R0.5 OC(=O)C(=O)\C=C\O Amb24699120 [2,0,0,0,0,0|0,0,2]=4 1004 B7R0.5 OC(=O)C(O)=CC=O Amb25339531 [2,0,0,0,0,0|0,0,2]=4 1005 B7R0.5 OC(=O)\C(\Br)=C\C=O Amb25242509 [2,0,0,0,0,0|1,0,1]=4 1006 B7R0.5 OC(=O)\C(\O)=C\C=O Amb25082413 [2,0,0,0,0,0|0,0,2]=4 1007 B7R0.5 OC(CC=O)C(O)=O Amb25225249 [2,0,0,0,0,0|0,0,2]=4 1008 B7R0.5 [2H][13CH2]CC(=O)C([O-])=O Amb22337314 [2,0,0,0,0,0|1,0,1]=4 1009 B7R0.6 C=C(Br)CCC(O)=O Amb18648212 [2,0,0,0,0,0|2,0,0]=4 1010 B7R0.6 C=C(Cl)CCC(N)=O Amb25843741 [2,0,0,0,0,0|1,0,0]=3 1011 B7R0.6 C=C(Cl)CCC(O)=O Amb18642971 [2,0,0,0,0,0|2,0,0]=4 1012 B7R0.6 C=C(F)CCC(O)=O Amb25141041 [2,0,0,0,0,0|2,0,0]=4 1013 B7R0.6 CC(=C)CCC(=O)Cl Amb24640436 [2,0,0,0,0,0|2,0,0]=4 1014 B7R0.6 CC(=C)CCC(O)=O Amb18641793 [2,0,0,0,0,0|2,0,0]=4 1015 B7R0.6 CC(=O)CCC(=C)Br Amb24690678 [2,0,0,0,0,0|2,0,0]=4 1016 B7R0.6 CC(=O)CCC(=O)Cl Amb17142859 [2,0,0,0,0,0|1,0,1]=4 1017 B7R0.6 CC(=O)CCC(=O)N Amb17142854 [2,0,0,0,0,0|0,0,1]=3 1018 B7R0.6 CC(=O)CCC([O-])=O Amb22350071 [2,0,0,0,0,0|1,0,1]=4 1019 B7R0.6 CC(=O)CCP(O)=O Amb24647699 [2,0,0,0,0,0|2,0,0]=4 1020 B7R0.6 CC(=O)CCS(=O)=O Amb25730256 [2,0,0,0,0,0|2,0,0]=4 1021 B7R0.6 CC(=O)CNC(N)=O Amb24697691 [2,0,0,0,0,0|1,0,1]=4 1022 B7R0.6 CC(=O)NCC(=O)N Amb17231824 [2,0,0,0,0,0|1,0,1]=4 1023 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [2,0,0,0,0,0|2,0,0]=4 1024 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [2,0,0,0,0,0|2,0,0]=4 1025 B7R0.6 CC(=O)OCC(N)=O Amb24670486 [2,0,0,0,0,0|1,0,1]=4 1026 B7R0.6 CC(=O)SCC(=O)O Amb17607669 [2,0,0,0,0,0|2,0,0]=4 1027 B7R0.6 CC(=O)SCC(N)=O Amb22353247 [2,0,0,0,0,0|1,0,1]=4 1028 B7R0.6 CC(CCC(=O)O)N Amb17593212 [2,0,0,0,0,0|1,0,1]=4 1029 B7R0.6 CC(N)CCC(O)=O Amb19515603 [2,0,0,0,0,0|1,0,1]=4 1030 B7R0.6 CS(=O)CCC(N)=O Amb24475802 [2,0,0,0,0,0|1,0,1]=4 1031 B7R0.6 CS(=O)CCC(O)=O Amb18523762 [2,0,0,0,0,0|2,0,0]=4 1032 B7R0.6 C[C@H](N)CCC(O)=O Amb25047328 [2,0,0,0,0,0|1,0,1]=4 1033 B7R0.6 NC(=N)CCC(=O)Cl Amb24565938 [2,0,0,0,0,0|2,0,0]=4 1034 B7R0.6 NC(=N)CCC(O)=O Amb25736788 [2,0,0,0,0,0|1,0,0]=3 1035 B7R0.6 NC(=N)NCC(=O)O Amb16231404 [2,0,0,0,0,0|2,0,0]=4 1036 B7R0.6 NC(=N)N[13CH2][13C](=O)O Amb17614848 [2,0,0,0,0,0|2,0,0]=4 1037 B7R0.6 NC(=N)OCC(O)=O Amb24394884 [2,0,0,0,0,0|2,0,0]=4 1038 B7R0.6 NC(=N)SCC(O)=O Amb21955777 [2,0,0,0,0,0|2,0,0]=4 1039 B7R0.6 NC(=O)CCB(O)O Amb24483052 [2,0,0,0,0,0|1,0,1]=4 1040 B7R0.6 NC(=O)CCC(=O)N Amb1353209 [2,0,0,0,0,0|1,0,0]=3 1041 B7R0.6 NC(=O)CCC(N)=N Amb25680023 [2,0,0,0,0,0|2,0,0]=4 1042 B7R0.6 NC(=O)CCP(O)=O Amb25840251 [2,0,0,0,0,0|1,0,0]=3 1043 B7R0.6 NC(=O)CNC(O)=O Amb24705097 [2,0,0,0,0,0|1,0,0]=3 1044 B7R0.6 NC(=O)NCC(=O)N Amb1136421 [2,0,0,0,0,0|2,0,0]=4 1045 B7R0.6 NC(=O)NCC(=O)O Amb16205895 [2,0,0,0,0,0|1,0,0]=3 1046 B7R0.6 NC(=O)OCC(=O)Cl Amb25259155 [2,0,0,0,0,0|2,0,0]=4 1047 B7R0.6 NC(=O)OCC(N)=O Amb25724808 [2,0,0,0,0,0|2,0,0]=4 1048 B7R0.6 NC(=O)OCC(O)=O Amb25777061 [2,0,0,0,0,0|1,0,0]=3 1049 B7R0.6 NC(=O)SCC(N)=O Amb24359876 [2,0,0,0,0,0|2,0,0]=4 1050 B7R0.6 NC(=O)SCC(O)=O Amb24640543 [2,0,0,0,0,0|1,0,0]=3 1051 B7R0.6 NC(=S)CCC(O)=O Amb18102382 [2,0,0,0,0,0|0,1,0]=3 1052 B7R0.6 NC(=S)OCC(O)=O Amb25340403 [2,0,0,0,0,0|1,1,0]=4 1053 B7R0.6 NC(=S)SCC(O)=O Amb25108057 [2,0,0,0,0,0|1,1,0]=4 1054 B7R0.6 O=C(F)CCC(=O)F Amb24483270 [2,0,0,0,0,0|2,0,0]=4 1055 B7R0.6 OC(=O)CCC(=O)Cl Amb17593468 [2,0,0,0,0,0|1,0,0]=3 1056 B7R0.6 OC(=O)CCC(O)=O Amb22168124 [2,0,0,0,0,0|1,0,0]=3 1057 B7R0.6 OC(=O)CCC(O)=O Amb22349196 [2,0,0,0,0,0|1,0,0]=3 1058 B7R0.6 OC(=O)CCC(O)=O Amb22353352 [2,0,0,0,0,0|1,0,0]=3 1059 B7R0.6 OC(=O)CCC(O)=O Amb22360649 [2,0,0,0,0,0|1,0,0]=3 1060 B7R0.6 OC(=O)CNC(=O)Cl Amb25277149 [2,0,0,0,0,0|2,0,0]=4 1061 B7R0.6 OC(=O)C[13CH2][13C](O)=O Amb22353421 [2,0,0,0,0,0|1,0,0]=3 1062 B7R0.6 OC(=O)SCC(O)=O Amb24699018 [2,0,0,0,0,0|2,0,0]=4 1063 B7R0.6 OC(=O)[13CH2][13CH2]C(O)=O Amb22338081 [2,0,0,0,0,0|1,0,0]=3 1064 B7R0.6 OC(=O)[14CH2][14CH2]C(O)=O Amb22337597 [2,0,0,0,0,0|1,0,0]=3 1065 B7R0.6 OC(=S)CCC(O)=O Amb24586272 [2,0,0,0,0,0|1,0,1]=4 1066 B7R0.6 O[13C](=O)CC[13C](O)=O Amb22056173 [2,0,0,0,0,0|1,0,0]=3 1067 B7R0.6 O[13C](=O)[13CH2][13CH2][13C](O)=O Amb22056172 [2,0,0,0,0,0|1,0,0]=3 1068 B7R0.6 O[14C](=O)CC[14C](O)=O Amb22352661 [2,0,0,0,0,0|1,0,0]=3 1069 B7R0.6 [13CH3][13C](=O)[13CH2]CC(O)=O Amb22056002 [2,0,0,0,0,0|1,0,0]=3 1070 B7R0.6 [O-]C(=O)CCC(O)=O Amb22730137 [2,0,0,0,0,0|1,0,0]=3 1071 B7R0.6 [O-]C(=O)CCC(O)=O Amb22733837 [2,0,0,0,0,0|1,0,0]=3 1072 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22230230 [2,0,0,0,0,0|1,0,1]=4 1073 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22330623 [2,0,0,0,0,0|1,0,1]=4 1074 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22360668 [2,0,0,0,0,0|1,0,1]=4 1075 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22731284 [2,0,0,0,0,0|1,0,1]=4 1076 B7R0.6 [O-][N+](=O)CCC(=O)O Amb10843224 [2,0,0,0,0,0|2,0,0]=4 1077 B9R0.6 CC(C(C)CC=O)C(O)=O Amb18644133 [1,1,0,0,0,0|1,0,1]=4 1078 B9R0.6 CC(CC=C)C(=O)C(O)=O Amb25063844 [1,1,0,0,0,0|1,0,0]=3 1079 B9R0.6 CCCC(C)C(=O)C(O)=O Amb24747027 [1,1,0,0,0,0|1,0,1]=4 1080 B9R0.8 CCCCC(=O)C(=O)OC Amb22755702 [1,1,0,0,0,0|1,0,1]=4 1081 B9R0.8 COC(=O)C(=O)CCC=C Amb25134158 [1,1,0,0,0,0|1,0,0]=3 1082 B9R0.8 COC(=O)C(=O)CCC=O Amb25699822 [1,1,0,0,0,0|0,0,0]=2 1083 B9R0.8 COC(=O)C(=O)CCCBr Amb24440505 [1,1,0,0,0,0|1,0,1]=4 1084 B9R0.8 COC(=O)C(=O)OCC=C Amb24649912 [1,1,0,0,0,0|2,0,0]=4 1085 B9R0.8 COC(=O)C(C)CCC=O Amb18644132 [1,1,0,0,0,0|1,0,1]=4 1086 B9R0.8 COC(=O)C(O)CCC=O Amb25078499 [1,1,0,0,0,0|0,0,2]=4 1087 B9R0.8 CON(C)C(=O)CCC=O Amb25770048 [1,1,0,0,0,0|2,0,0]=4 1088 B9R0.8 C\C(=C/CC=O)\C(=O)OC Amb18643814 [1,1,0,0,0,0|1,0,1]=4 1089 B9R0.13 CC(=O)\C(\CCC=O)=N/O Amb24542895 [1,1,0,0,0,0|1,0,1]=4 1090 B9R0.13 CC(=O)\C(\CCC=O)=N\O Amb25808754 [1,1,0,0,0,0|1,0,1]=4 1091 B9R0.13 CC(C)=C(CCC=O)C=O Amb18643574 [1,1,0,0,0,0|2,0,0]=4 1092 B9R0.13 NCCCC(=NO)C(O)=O Amb24655637 [1,1,0,0,0,0|0,0,2]=4 1093 B9R0.42 C=C(CC(N)CN)C(O)=O Amb24502423 [1,1,0,0,0,0|1,0,1]=4 1094 B9R0.42 CC(C=C)NC(=O)C(O)=O Amb25283662 [1,1,0,0,0,0|2,0,0]=4 1095 B9R0.42 CC(CC(C)C=O)C(O)=O Amb18644134 [1,1,0,0,0,0|1,0,1]=4 1096 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(O)=O Amb25367252 [1,1,0,0,0,0|1,0,1]=4 1097 B9R0.42 OC(=O)C(=O)CC(O)CO Amb25733244 [1,1,0,0,0,0|0,0,2]=4 1098 B9R0.47 C#CCCCC(=O)C(O)=O Amb24592957 [1,1,0,0,0,0|1,0,1]=4 1099 B9R0.47 C=C(CCCC=C)C(O)=O Amb24585641 [1,1,0,0,0,0|2,0,0]=4 1100 B9R0.47 C=C(COCC=C)C(O)=O Amb25727050 [1,1,0,0,0,0|2,0,0]=4 1101 B9R0.47 C=C(CSCCN)C(O)=O Amb24411908 [1,1,0,0,0,0|1,0,1]=4 1102 B9R0.47 C=CCCCC(=O)C(O)=O Amb24459619 [1,1,0,0,0,0|1,0,0]=3 1103 B9R0.47 CC(=C)C(=O)OCCC=O Amb25352327 [1,1,0,0,0,0|2,0,0]=4 1104 B9R0.47 CC(CCOC=O)C(O)=O Amb18644245 [1,1,0,0,0,0|1,0,1]=4 1105 B9R0.47 CCCCCC(=O)C(O)=O Amb18644122 [1,1,0,0,0,0|1,0,1]=4 1106 B9R0.47 CNCCNC(=O)C(O)=O Amb18644254 [1,1,0,0,0,0|1,0,1]=4 1107 B9R0.47 COCCOC(=O)C(O)=O Amb24376746 [1,1,0,0,0,0|2,0,0]=4 1108 B9R0.47 C\C(=C/CCC=C)\C(O)=O Amb18124587 [1,1,0,0,0,0|2,0,0]=4 1109 B9R0.47 C\C(=C\CCC=C)\C(O)=O Amb24585718 [1,1,0,0,0,0|2,0,0]=4 1110 B9R0.47 NC(=O)C(=O)NCCCN Amb24612365 [1,1,0,0,0,0|1,0,1]=4 1111 B9R0.47 NC(CCNC=O)C(O)=O Amb24355941 [1,1,0,0,0,0|1,0,1]=4 1112 B9R0.47 NCCCCC(=O)C(O)=O Amb25703573 [1,1,0,0,0,0|0,0,1]=3 1113 B9R0.47 NCCC\C=C(\O)/C(O)=O Amb25077106 [1,1,0,0,0,0|0,0,2]=4 1114 B9R0.47 N[C@@H](CCNC=O)C(O)=O Amb24692356 [1,1,0,0,0,0|1,0,1]=4 1115 B9R0.47 O=CCCCC(C(=O)O)N Amb17619026 [1,1,0,0,0,0|1,0,1]=4 1116 B9R0.47 OC(=O)C(=O)CCCC=O Amb25789953 [1,1,0,0,0,0|0,0,0]=2 1117 B9R0.47 OC(=O)C(=O)CCCCF Amb25259949 [1,1,0,0,0,0|1,0,1]=4 1118 B9R0.47 OC(=O)C(=O)C\C=C\C=O Amb18643789 [1,1,0,0,0,0|0,0,1]=3 1119 B9R0.47 OC(=O)C(=O)NCCCO Amb24371547 [1,1,0,0,0,0|0,0,2]=4 1120 B9R0.47 OC(CCNC=O)C(O)=O Amb24480985 [1,1,0,0,0,0|0,0,2]=4 1121 B9R0.47 O[C@@H](CCNC=O)C(O)=O Amb24481075 [1,1,0,0,0,0|0,0,2]=4 1122 B9R0.23 CC(=CN)C(N)CC(N)=O Amb24563482 [1,1,0,0,0,0|2,0,0]=4 1123 B9R0.23 CC(C(=O)NC)CC(=O)N Amb17334220 [1,1,0,0,0,0|2,0,0]=4 1124 B9R0.23 CC(NC(N)=O)C(=O)NO Amb24705421 [1,1,0,0,0,0|2,0,0]=4 1125 B9R0.23 CNC(=O)C(N)CC(N)=O Amb18968977 [1,1,0,0,0,0|2,0,0]=4 1126 B9R0.23 COC(=O)C(Br)CC(N)=O Amb24728398 [1,1,0,0,0,0|2,0,0]=4 1127 B9R0.23 COC(=O)C(C)CC(N)=O Amb25113876 [1,1,0,0,0,0|2,0,0]=4 1128 B9R0.23 COC(=O)C(CC(=O)N)N Amb16243083 [1,1,0,0,0,0|2,0,0]=4 1129 B9R0.23 COC(=O)C(CC(=O)N)N Amb17601698 [1,1,0,0,0,0|2,0,0]=4 1130 B9R0.23 COC(=O)[C@@H](C)CC(N)=O Amb24351411 [1,1,0,0,0,0|2,0,0]=4 1131 B9R0.23 COC(=O)[C@@H](O)CC(N)=O Amb25147368 [1,1,0,0,0,0|2,0,0]=4 1132 B9R0.23 COC(=O)[C@H](C)CC(N)=O Amb25824598 [1,1,0,0,0,0|2,0,0]=4 1133 B9R0.23 COC(=O)[C@H](CC(=O)N)N Amb10844909 [1,1,0,0,0,0|2,0,0]=4 1134 B9R0.23 COC(=O)[C@H](N)CC(N)=O Amb19883963 [1,1,0,0,0,0|2,0,0]=4 1135 B9R0.23 C\C(=C/C)\C(N)CC(N)=O Amb24667328 [1,1,0,0,0,0|2,0,0]=4 1136 B9R0.23 N[C@@H](CC(O)=O)C(=O)NO Amb25762946 [1,1,0,0,0,0|2,0,0]=4 1137 B9R0.23 OC(=O)CC(O)C(=O)CO Amb25124913 [1,1,0,0,0,0|1,0,1]=4 1138 B9R0.23 OC(=O)C[C@H](O)C(=O)CO Amb25259211 [1,1,0,0,0,0|1,0,1]=4 1139 B9R0.24 CCC(=O)CCC(=O)C=C Amb25146819 [1,1,0,0,0,0|2,0,0]=4 1140 B9R0.24 CNC(=O)CCC(=O)OC Amb17399893 [1,1,0,0,0,0|2,0,0]=4 1141 B9R0.24 COC(=O)CCC(=O)CN Amb18202127 [1,1,0,0,0,0|2,0,0]=4 1142 B9R0.24 NC(CCC(N)=S=O)=S=O Amb25774371 [1,1,0,0,0,0|2,0,0]=4 1143 B9R0.24 NCC(=O)NCC(=O)NO Amb24418745 [1,1,0,0,0,0|2,0,0]=4 1144 B9R0.24 NOC(=O)CCC(=O)C#N Amb24478209 [1,1,0,0,0,0|1,0,1]=4 1145 B9R0.24 OCC(=O)CCC(=O)CO Amb25358920 [1,1,0,0,0,0|1,0,1]=4 1146 B9R0.43 CC(=O)CC\C(\C=O)=C\C Amb18643605 [1,1,0,0,0,0|2,0,0]=4 1147 B9R0.43 NC(=O)NC=C(C=O)C=O Amb25147321 [1,1,0,0,0,0|1,0,1]=4 1148 B9R0.48 C=C=CC(=O)CCC(O)=O Amb25367303 [1,1,0,0,0,0|2,0,0]=4 1149 B9R0.48 C=CCC(=O)CCC(O)=O Amb18643852 [1,1,0,0,0,0|2,0,0]=4 1150 B9R0.48 C=CCC(=O)OCC(N)=O Amb25854860 [1,1,0,0,0,0|2,0,0]=4 1151 B9R0.48 C=CNC(=O)CCC(O)=O Amb24505247 [1,1,0,0,0,0|2,0,0]=4 1152 B9R0.48 CC(=O)CCC(=O)COC Amb24724049 [1,1,0,0,0,0|1,0,1]=4 1153 B9R0.48 CC(=O)CCC(=O)NOC Amb24478126 [1,1,0,0,0,0|2,0,0]=4 1154 B9R0.48 CC(=O)CCC(=O)OC=C Amb24633305 [1,1,0,0,0,0|2,0,0]=4 1155 B9R0.48 CC(=O)CCC(=O)\C=C\C Amb24691794 [1,1,0,0,0,0|2,0,0]=4 1156 B9R0.48 CC(CCC(C)=O)=CCO Amb24656003 [1,1,0,0,0,0|2,0,0]=4 1157 B9R0.48 CCNC(=O)CCC(=O)N Amb17142864 [1,1,0,0,0,0|1,0,1]=4 1158 B9R0.48 COCC(=O)NCC(N)=O Amb25066089 [1,1,0,0,0,0|1,0,1]=4 1159 B9R0.48 C\C(\CCC(C)=O)=C/CO Amb25142674 [1,1,0,0,0,0|2,0,0]=4 1160 B9R0.48 C\C(\CCC(C)=O)=C\CO Amb25172142 [1,1,0,0,0,0|2,0,0]=4 1161 B9R0.48 C\C(\CCC(O)=O)=C/CO Amb25694396 [1,1,0,0,0,0|2,0,0]=4 1162 B9R0.48 C\C=C\C(=O)CCC(O)=O Amb24620816 [1,1,0,0,0,0|2,0,0]=4 1163 B9R0.48 C\C=C\C(=O)NCC(N)=O Amb25804890 [1,1,0,0,0,0|2,0,0]=4 1164 B9R0.48 C\C=C\C(=O)OCC(N)=O Amb24349666 [1,1,0,0,0,0|2,0,0]=4 1165 B9R0.48 NC(=O)CCS(=O)CC=O Amb24681397 [1,1,0,0,0,0|1,0,0]=3 1166 B9R0.48 O/N=C/C(=O)CCC(O)=O Amb17689278 [1,1,0,0,0,0|1,0,0]=3 1167 B9R0.48 OC(=O)CCC(=O)CC=O Amb18644074 [1,1,0,0,0,0|1,0,0]=3 1168 B9R0.48 OC(=O)CCC(=O)CCO Amb25265246 [1,1,0,0,0,0|1,0,1]=4 1169 B9R0.48 [N-]=[N+]=NC(=O)CCC(N)=O Amb24477439 [1,1,0,0,0,0|2,0,0]=4 1170 B9R0.1 C#CC(=O)NCCC(N)=O Amb25279631 [1,1,0,0,0,0|2,0,0]=4 1171 B9R0.1 CC(=NO)SCCC(N)=O Amb25375755 [1,1,0,0,0,0|2,0,0]=4 1172 B9R0.1 CC(=O)CCCC(=O)NC Amb25790088 [1,1,0,0,0,0|1,0,1]=4 1173 B9R0.1 CC(=O)CCOC(=O)CO Amb24482823 [1,1,0,0,0,0|2,0,0]=4 1174 B9R0.1 CC(=O)CC\C=C(/C)\C=O Amb18124577 [1,1,0,0,0,0|2,0,0]=4 1175 B9R0.1 CC(=O)CC\C=C(\Cl)/C=O Amb25742942 [1,1,0,0,0,0|2,0,0]=4 1176 B9R0.1 CC(=O)C\C=C\C(=O)OC Amb24670506 [1,1,0,0,0,0|1,0,1]=4 1177 B9R0.1 CC(=O)NCCC(=O)NC Amb25793084 [1,1,0,0,0,0|2,0,0]=4 1178 B9R0.1 CCC(=O)NCCC(=O)N Amb17231982 [1,1,0,0,0,0|2,0,0]=4 1179 B9R0.1 CCC(=O)OCCC(N)=O Amb24482884 [1,1,0,0,0,0|2,0,0]=4 1180 B9R0.1 CNC(=O)CCCC(N)=O Amb24746424 [1,1,0,0,0,0|1,0,1]=4 1181 B9R0.1 CNC(=O)CCCC([O-])=O Amb24271120 [1,1,0,0,0,0|0,0,2]=4 1182 B9R0.1 CNC(=O)CCNC(N)=O Amb24361117 [1,1,0,0,0,0|2,0,0]=4 1183 B9R0.1 CNC(=O)COCC(=O)O Amb17232024 [1,1,0,0,0,0|1,0,1]=4 1184 B9R0.1 CNC(=O)NCCC(=O)O Amb1127025 [1,1,0,0,0,0|1,0,1]=4 1185 B9R0.1 CNC(=O)NCCC(N)=O Amb24421939 [1,1,0,0,0,0|2,0,0]=4 1186 B9R0.1 CNC(=O)N\C=C\C(O)=O Amb22960481 [1,1,0,0,0,0|1,0,1]=4 1187 B9R0.1 CNC(=O)SCCC(O)=O Amb25240640 [1,1,0,0,0,0|1,0,1]=4 1188 B9R0.1 COC(=O)CCCC(C)=O Amb17846860 [1,1,0,0,0,0|1,0,1]=4 1189 B9R0.1 COC(=O)CCCC(N)=N Amb24410040 [1,1,0,0,0,0|1,0,1]=4 1190 B9R0.1 COC(=O)CCCC(N)=S Amb25360938 [1,1,0,0,0,0|0,1,1]=4 1191 B9R0.1 COC(=O)CCNC(N)=O Amb22740124 [1,1,0,0,0,0|1,0,1]=4 1192 B9R0.1 COC(=O)COCC(N)=O Amb25734268 [1,1,0,0,0,0|1,0,1]=4 1193 B9R0.1 COC(=O)CSCC(N)=O Amb18800701 [1,1,0,0,0,0|1,0,1]=4 1194 B9R0.1 COC(=O)C\C=C\C(O)=O Amb25132100 [1,1,0,0,0,0|1,0,1]=4 1195 B9R0.1 COC(=O)NCCC(N)=O Amb24459803 [1,1,0,0,0,0|1,0,0]=3 1196 B9R0.1 COC(=O)NCCC(N)=S Amb18182596 [1,1,0,0,0,0|1,1,0]=4 1197 B9R0.1 COC(=O)NOCC(N)=O Amb24721208 [1,1,0,0,0,0|2,0,0]=4 1198 B9R0.1 COC(=O)\C=C/NC(N)=O Amb24624664 [1,1,0,0,0,0|1,0,1]=4 1199 B9R0.1 COC(=S)SCCC(N)=O Amb25172010 [1,1,0,0,0,0|1,1,0]=4 1200 B9R0.1 CO[13C](=O)CCC[13C](=O)O Amb17618084 [1,1,0,0,0,0|1,0,1]=4 1201 B9R0.1 CO[13C](=O)CCC[13C](=O)[13CH3] Amb17617715 [1,1,0,0,0,0|1,0,1]=4 1202 B9R0.1 C\C(=C/CCC(N)=O)\C=C Amb24502287 [1,1,0,0,0,0|2,0,0]=4 1203 B9R0.1 C\C(=C\CCC(N)=O)\C=C Amb24680092 [1,1,0,0,0,0|2,0,0]=4 1204 B9R0.1 C\C(\CO)=C\CCC(C)=O Amb24545611 [1,1,0,0,0,0|2,0,0]=4 1205 B9R0.1 NC(=O)CCNC(=O)CN Amb21929344 [1,1,0,0,0,0|2,0,0]=4 1206 B9R0.1 NC(=O)CCNC(=O)CO Amb25739339 [1,1,0,0,0,0|1,0,0]=3 1207 B9R0.1 NC(=O)CCSC(=O)CN Amb25824263 [1,1,0,0,0,0|2,0,0]=4 1208 B9R0.1 NC(=O)NCCC(=O)NO Amb25796572 [1,1,0,0,0,0|1,0,1]=4 1209 B9R0.1 NC(=O)SCCC(=O)NN Amb24707302 [1,1,0,0,0,0|2,0,0]=4 1210 B9R0.1 NC(CCCC(O)=O)=NO Amb24383149 [1,1,0,0,0,0|0,0,2]=4 1211 B9R0.1 NC(CCCC(O)=O)C=O Amb25075707 [1,1,0,0,0,0|0,0,2]=4 1212 B9R0.1 NC(NCCC(N)=O)=NO Amb24425915 [1,1,0,0,0,0|2,0,0]=4 1213 B9R0.1 NCC(=O)CCCC(O)=O Amb18202122 [1,1,0,0,0,0|0,0,1]=3 1214 B9R0.1 NCC(=O)CCCC(O)=O Amb22035333 [1,1,0,0,0,0|0,0,1]=3 1215 B9R0.1 NCC(=O)N\C=C\C(O)=O Amb24357725 [1,1,0,0,0,0|1,0,1]=4 1216 B9R0.1 NNC(=O)CCCC(O)=O Amb25809648 [1,1,0,0,0,0|0,0,1]=3 1217 B9R0.1 NNC(=O)COCC(O)=O Amb25133545 [1,1,0,0,0,0|1,0,1]=4 1218 B9R0.1 NNC(=O)SCCC(O)=O Amb24482179 [1,1,0,0,0,0|1,0,1]=4 1219 B9R0.1 OC(=O)CCNC(=O)CO Amb24478846 [1,1,0,0,0,0|2,0,0]=4 1220 B9R0.1 OC(=O)CN\C=C(/O)\C=O Amb25147598 [1,1,0,0,0,0|2,0,0]=4 1221 B9R0.53 CC(=CC(O)=O)NC(N)=O Amb25314556 [1,1,0,0,0,0|1,0,1]=4 1222 B9R0.53 CC(=O)CC(C)CC(O)=O Amb18644106 [1,1,0,0,0,0|1,0,1]=4 1223 B9R0.53 CC(=O)C[C@@H](CC(=O)O)C Amb10844399 [1,1,0,0,0,0|1,0,1]=4 1224 B9R0.53 CC(=O)C\C(\C)=C\C(O)=O Amb25833580 [1,1,0,0,0,0|1,0,1]=4 1225 B9R0.53 CC(C)=CC(N)CC(N)=O Amb25805588 [1,1,0,0,0,0|2,0,0]=4 1226 B9R0.53 CC(CC(N)=O)NC(N)=O Amb25365692 [1,1,0,0,0,0|2,0,0]=4 1227 B9R0.53 CC(CC(O)=O)=CC(O)=O Amb24556420 [1,1,0,0,0,0|1,0,1]=4 1228 B9R0.53 CC(CC(O)=O)CC(N)=O Amb19034796 [1,1,0,0,0,0|0,0,1]=3 1229 B9R0.53 NC(=O)CC(O)CC(O)=O Amb25147276 [1,1,0,0,0,0|0,0,1]=3 1230 B9R0.53 NC(=O)CS(=O)CC(O)=O Amb19007093 [1,1,0,0,0,0|1,0,1]=4 1231 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [1,1,0,0,0,0|1,0,1]=4 1232 B9R0.53 OC(=O)C=C(Br)CC(O)=O Amb24573499 [1,1,0,0,0,0|1,0,1]=4 1233 B9R0.53 OC(=O)CC(Cl)CC(O)=O Amb18126464 [1,1,0,0,0,0|1,0,1]=4 1234 B9R0.53 OC(=O)\C=C(/Br)\CC(O)=O Amb25123824 [1,1,0,0,0,0|1,0,1]=4 1235 B9R0.53 OC(CC(=O)O)CC(=O)O Amb17615401 [1,1,0,0,0,0|1,0,1]=4 1236 B9R0.56 NC(=O)CCOP(O)(O)=O Amb25808331 [1,1,0,0,0,0|2,0,0]=4 1237 B9R0.11 CC(C)(CC(N)=O)C(O)=O Amb24721912 [0,1,0,0,1,0|1,0,1]=4 1238 B9R0.11 CC(O)(CC(N)=O)C(O)=O Amb24744548 [0,1,0,0,1,0|0,0,2]=4 1239 B9R0.11 C[C@@](N)(CC(N)=O)C(O)=O Amb22225025 [0,1,0,0,1,0|1,0,1]=4 1240 B9R0.39 CNC(CC(N)=O)C(O)=O Amb18644255 [0,1,0,0,1,0|1,0,1]=4 1241 B9R0.39 CSC(CC(N)=O)C(O)=O Amb25694730 [0,1,0,0,1,0|0,1,1]=4 1242 B9R0.39 CS[C@H](CC(N)=O)C(O)=O Amb25101496 [0,1,0,0,1,0|0,1,1]=4 1243 B9R0.39 C\C=C(\CC(O)=O)/C(O)=O Amb25292254 [0,1,0,0,1,0|2,0,0]=4 1244 B9R0.39 OC(=O)C(CC(O)=O)=CBr Amb25225990 [0,1,0,0,1,0|2,0,0]=4 1245 B9R0.39 OC(=O)C(CC(O)=O)=CCl Amb25321956 [0,1,0,0,1,0|2,0,0]=4 1246 B9R0.39 OC(=O)C(CC(O)=O)C=O Amb24732382 [0,1,0,0,1,0|1,0,1]=4 1247 B9R0.39 OC(=O)\C(=C/C(O)=O)\C=O Amb24568885 [0,1,0,0,1,0|1,0,1]=4 1248 B9R0.39 OC(=O)\C(=C\C(O)=O)\C=O Amb18644051 [0,1,0,0,1,0|1,0,1]=4 1249 B9R0.39 OC(=O)\C(\CC(O)=O)=C\Br Amb25758898 [0,1,0,0,1,0|2,0,0]=4 1250 B9R0.39 OC(=O)\C(\CC(O)=O)=N\O Amb24117074 [0,1,0,0,1,0|1,0,1]=4 1251 B9R0.57 NS(=O)(=O)NC(=O)C(O)=O Amb24390283 [0,1,0,0,1,0|2,0,0]=4 1252 B9R0.57 OC(=O)C(=O)CP(=O)(O)O Amb17619389 [0,1,0,0,1,0|2,0,0]=4 1253 B9R0.79 C=C(C(N)C(O)=O)C(O)=O Amb18644186 [0,1,0,0,1,0|2,0,0]=4 1254 B9R0.79 C=C(C(O)C(O)=O)C(O)=O Amb20671613 [0,1,0,0,1,0|2,0,0]=4 1255 B9R0.79 CC(C(=C)C(O)=O)C(O)=O Amb18644063 [0,1,0,0,1,0|2,0,0]=4 1256 B9R0.79 CC(C(=O)C(C)=O)C(C)=O Amb25692911 [0,1,0,0,1,0|2,0,0]=4 1257 B9R0.79 CC(C(O)C(N)=O)C(O)=O Amb25728281 [0,1,0,0,1,0|1,0,1]=4 1258 B9R0.79 C[C@H](C(=C)C(O)=O)C(O)=O Amb24480380 [0,1,0,0,1,0|2,0,0]=4 1259 B9R0.79 C[C@H]([C@@H](C)C(O)=O)C(N)=O Amb25113911 [0,1,0,0,1,0|1,0,1]=4 1260 B9R0.79 C\C(\C(N)=O)=C(\C)/C(O)=O Amb24479070 [0,1,0,0,1,0|1,0,1]=4 1261 B9R0.79 NC(=O)C(F)=C(F)C(O)=O Amb24571693 [0,1,0,0,1,0|1,0,1]=4 1262 B9R0.79 NC(=O)C(F)C(N)C(O)=O Amb25300324 [0,1,0,0,1,0|1,0,1]=4 1263 B9R0.79 NC(=O)C(F)[C@H](N)C(O)=O Amb24691333 [0,1,0,0,1,0|1,0,1]=4 1264 B9R0.79 NC(=O)C(O)C(N)C(O)=O Amb25218088 [0,1,0,0,1,0|1,0,1]=4 1265 B9R0.79 NC(=O)C(O)C(O)C(O)=O Amb24112928 [0,1,0,0,1,0|0,0,2]=4 1266 B9R0.79 NC(=O)[C@@H](N)[C@H](O)C(O)=O Amb24584998 [0,1,0,0,1,0|0,0,2]=4 1267 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(O)=O Amb24763774 [0,1,0,0,1,0|1,0,1]=4 1268 B9R0.79 NC(=O)[C@@H](O)[C@H](O)C(O)=O Amb25147369 [0,1,0,0,1,0|0,0,2]=4 1269 B9R0.79 NC(=O)[C@H](N)[C@H](N)C(O)=O Amb24358166 [0,1,0,0,1,0|1,0,1]=4 1270 B9R0.79 NC(=O)[C@H](N)[C@H](O)C(O)=O Amb25789713 [0,1,0,0,1,0|0,0,2]=4 1271 B9R0.79 NC(=O)[C@H](O)[C@H](O)C(O)=O Amb24630392 [0,1,0,0,1,0|0,0,2]=4 1272 B9R0.79 NC(=O)\C(\F)=C(\F)/C(O)=O Amb24634118 [0,1,0,0,1,0|1,0,1]=4 1273 B9R0.79 OC(=O)C(=O)C(=O)C(O)=O Amb22234966 [0,1,0,0,1,0|1,0,1]=4 1274 B11R0.33 NC(=O)C(N)CC(=O)NC(N)=O Amb25793534 [0,1,0,0,0,1|1,0,0]=3 1275 B11R0.93 COC(=O)CC(=O)NCC(=O)C Amb2234019 [0,1,0,0,0,1|2,0,0]=4 1276 B11R0.107 CNC(=O)NCC(=O)NC(N)=O Amb24592292 [0,1,0,0,0,1|2,0,0]=4 1277 B11R0.107 COC(=O)CCC(=O)CC(=O)C Amb17334875 [0,1,0,0,0,1|2,0,0]=4 1278 B11R0.149 NC(=O)NC(=O)C(N)CC(N)=O Amb24406387 [0,1,0,0,0,1|1,0,0]=3 1279 B11R0.232 OC(=O)CCS(=O)(=O)CC(=O)O Amb17501260 [0,1,0,0,0,1|2,0,0]=4 1280 B11R0.150 CC(CCC(=C)C(O)=O)C(O)=O Amb24065778 [0,1,0,0,0,1|2,0,0]=4 1281 B11R0.150 NC(CNC(=O)C(O)=O)C(O)=O Amb18647934 [0,1,0,0,0,1|1,0,0]=3 1282 B11R0.282 N#C\C(=C(/CC(=O)N)\N)\C(=O)O Amb16186063 [0,2,0,0,0,0|1,0,1]=4 1283 B11R0.282 N#C\C(=C(\CC(=O)N)/N)\C(=O)O Amb16230011 [0,2,0,0,0,0|1,0,1]=4 1284 B11R0.169 CC(C)(NC(=O)C(O)=O)C(N)=O Amb18983952 [0,2,0,0,0,0|1,0,0]=3 1285 B11R0.59 CC(=O)SCC(=O)C(=O)OCC Amb24118034 [0,2,0,0,0,0|2,0,0]=4 1286 B11R0.59 CCOC(=O)[C@@H](N)CCC(N)=O Amb22898842 [0,2,0,0,0,0|1,0,1]=4 1287 B11R0.117 CNC(=O)C(C)NC(=O)C(O)=O Amb18978366 [0,2,0,0,0,0|1,0,0]=3 1288 B11R0.117 CNC(=O)[C@H](C)NC(=O)C(O)=O Amb25188236 [0,2,0,0,0,0|1,0,0]=3 1289 B11R0.120 CNC(=O)CNC(=O)C(=O)NC Amb24466009 [0,2,0,0,0,0|2,0,0]=4 1290 B11R0.120 COC(=O)CNC(=O)C(=O)OC Amb2447278 [0,2,0,0,0,0|2,0,0]=4 1291 B11R0.141 CCNC(=O)CC[C@@H](N)C(O)=O Amb19134042 [0,2,0,0,0,0|1,0,1]=4 1292 B11R0.28 NC(=O)NN=C(C(O)=O)C(O)=O Amb25765767 [0,2,0,0,0,0|2,0,0]=4 1293 B11R0.146 O=CNC(C(=O)O)CCC(=O)N Amb2582546 [0,2,0,0,0,0|0,0,1]=3 1294 B9R1.5 O=C1CCC=CNC1=O Amb25147008 [1,0,0,1,0,0|2,0,0]=4 1295 B9R1.6 OC(=O)C=1CC=CNC1 Amb25293556 [1,0,0,1,0,0|1,0,1]=4 1296 B9R1.6 OC(=O)C=1CCCNC1 Amb25328967 [1,0,0,1,0,0|1,0,1]=4 1297 B9R1.6 OC(=O)C=1CCCNN1 Amb18642590 [1,0,0,1,0,0|1,0,1]=4 1298 B9R1.23 CC1C[C@@H](C=O)OC1=O Amb24389171 [1,0,0,1,0,0|1,0,1]=4 1299 B9R1.23 C[C@H]1C[C@@H](C=O)OC1=O Amb24587323 [1,0,0,1,0,0|1,0,1]=4 1300 B9R1.35 NC1CCC(=C1)C(O)=O Amb18642496 [1,0,0,1,0,0|1,0,1]=4 1301 B9R1.35 NC=1CC[C@H](N1)C(O)=O Amb25346757 [1,0,0,1,0,0|1,0,1]=4 1302 B9R1.35 O=C1CCC(=C1)C(=O)O Amb13883804 [1,0,0,1,0,0|1,0,0]=3 1303 B9R1.35 O=C1CC[C@H](N1)C(=O)O Amb1995036 [1,0,0,1,0,0|1,0,1]=4 1304 B9R1.35 OC(=O)C1CCC(=O)N1 Amb22282321 [1,0,0,1,0,0|1,0,1]=4 1305 B9R1.35 OC(=O)C1CCC(=O)O1 Amb20623076 [1,0,0,1,0,0|0,0,2]=4 1306 B9R1.35 OC(=O)C1CCC(=O)S1 Amb23439315 [1,0,0,1,0,0|0,1,1]=4 1307 B9R1.35 OC(=O)C=1COC(=O)C1 Amb18642559 [1,0,0,1,0,0|2,0,0]=4 1308 B9R1.35 OC(=O)C=1NC(=O)CN1 Amb24387402 [1,0,0,1,0,0|2,0,0]=4 1309 B9R1.35 OC(=O)[C@@H]1CC(=O)CC1 Amb22746923 [1,0,0,1,0,0|1,0,1]=4 1310 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 Amb24099403 [1,0,0,1,0,0|1,0,1]=4 1311 B9R1.45 CC1CC1C(=O)C(O)=O Amb24760671 [1,0,0,1,0,0|1,0,1]=4 1312 B9R1.69 C=C1CNC(=O)OC1=O Amb25757433 [1,0,0,1,0,0|2,0,0]=4 1313 B9R1.69 CC1=CCC(=O)C(=O)O1 Amb25133381 [1,0,0,1,0,0|1,0,1]=4 1314 B9R1.69 CC1CCC(=O)C(=O)O1 Amb24621712 [1,0,0,1,0,0|1,0,1]=4 1315 B9R1.69 CC1CCC(=O)OC1=O Amb24117247 [1,0,0,1,0,0|1,0,1]=4 1316 B9R1.69 C[C@H]1OC(=O)CCC1=O Amb25749526 [1,0,0,1,0,0|1,0,1]=4 1317 B9R1.69 N[C@H]1CCC(=O)OC1=O Amb24680533 [1,0,0,1,0,0|1,0,1]=4 1318 B9R1.69 O=C1CCC(=O)OC1=O Amb24620117 [1,0,0,1,0,0|0,0,0]=2 1319 B9R1.69 O=C1CCC(Br)C(=O)O1 Amb25680134 [1,0,0,1,0,0|1,0,1]=4 1320 B9R1.69 O=C1CCC(Cl)C(=O)O1 Amb25060552 [1,0,0,1,0,0|1,0,1]=4 1321 B9R1.69 O=C1NCC(=O)NC1=O Amb22263199 [1,0,0,1,0,0|2,0,0]=4 1322 B9R1.69 OC1=CC(=O)CCC1=O Amb25046310 [1,0,0,1,0,0|1,0,0]=3 1323 B9R1.69 OC1CCC(=O)OC1=O Amb25728114 [1,0,0,1,0,0|0,0,2]=4 1324 B9R1.110 OC(=O)C(=O)C1CCC1 Amb19958875 [1,0,0,1,0,0|1,0,1]=4 1325 B9R1.112 OC(=O)C(=O)CC1CC1 Amb18988329 [1,0,0,1,0,0|1,0,1]=4 1326 B9R1.1 O=C1CCC(=CC1)C=O Amb18642167 [1,0,0,1,0,0|2,0,0]=4 1327 B9R1.49 O=C1CC=CC(=O)CC1 Amb25229531 [1,0,0,1,0,0|2,0,0]=4 1328 B9R1.49 O=C1CCC(=O)NC=C1 Amb24428128 [1,0,0,1,0,0|1,0,0]=3 1329 B9R1.49 O=C1CCC(=O)NCC1 Amb22490261 [1,0,0,1,0,0|1,0,1]=4 1330 B9R1.82 C=C(C=C)C1CC(=O)N1 Amb24477682 [1,0,0,1,0,0|2,0,0]=4 1331 B9R1.82 C=C(CO)C1CC(=O)N1 Amb25253257 [1,0,0,1,0,0|1,0,1]=4 1332 B9R1.82 CC(C=O)C1CC(=O)N1 Amb24374664 [1,0,0,1,0,0|1,0,1]=4 1333 B9R1.82 CC(C=O)[C@H]1CC(=O)N1 Amb25797916 [1,0,0,1,0,0|1,0,1]=4 1334 B9R1.82 COC(=O)C1CC(=O)N1 Amb24711580 [1,0,0,1,0,0|2,0,0]=4 1335 B9R1.82 COC(=O)[C@@H]1CC(=O)N1 Amb22747568 [1,0,0,1,0,0|2,0,0]=4 1336 B9R1.125 C[C@]1(CCC(=O)N1)C=O Amb25207935 [1,0,0,1,0,0|1,0,1]=4 1337 B9R1.53 CC(=O)S[C@@H]1CC(=O)N1 Amb24606560 [1,0,0,1,0,0|2,0,0]=4 1338 B9R1.53 OC(=O)CC1CC(=O)N1 Amb24351879 [1,0,0,1,0,0|0,0,1]=3 1339 B9R1.53 OC(=O)\C=C/1\CC(=O)N1 Amb25845188 [1,0,0,1,0,0|0,0,1]=3 1340 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [1,0,0,1,0,0|0,0,1]=3 1341 B9R1.161 NC(=O)C1OC1C(O)=O Amb25695985 [1,0,0,1,0,0|1,0,1]=4 1342 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(O)=O Amb24623178 [1,0,0,1,0,0|0,0,1]=3 1343 B9R1.161 NC(=O)[C@@H]1C[C@H]1C(N)=O Amb25273795 [1,0,0,1,0,0|1,0,1]=4 1344 B9R1.161 NC(=O)[C@H]1C[C@@H]1C(N)=O Amb24760759 [1,0,0,1,0,0|1,0,1]=4 1345 B9R1.161 NC(=O)[C@H]1C[C@H]1C(N)=O Amb24671257 [1,0,0,1,0,0|1,0,1]=4 1346 B9R1.161 NC(=O)[C@H]1O[C@H]1C(O)=O Amb25174864 [1,0,0,1,0,0|1,0,1]=4 1347 B9R1.161 OC(=O)C1CC1C(=O)O Amb1350467 [1,0,0,1,0,0|1,0,1]=4 1348 B9R1.161 OC(=O)[C@@H]1C[C@@H]1C(=O)Cl Amb25175103 [1,0,0,1,0,0|1,0,1]=4 1349 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(=O)Cl Amb24402096 [1,0,0,1,0,0|1,0,1]=4 1350 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(O)=O Amb22901897 [1,0,0,1,0,0|1,0,1]=4 1351 B11R1.20 OC(=O)CC1CCC(=O)NC1 Amb18200019 [0,0,0,1,0,1|1,0,1]=4 1352 B11R1.20 OC(=O)CC=1CCC(=O)CC1 Amb25139696 [0,0,0,1,0,1|2,0,0]=4 1353 B11R1.74 NC(=O)C1CC(=O)NC(=N)S1 Amb24509096 [0,0,0,1,0,1|1,1,0]=4 1354 B11R1.74 NC(=O)C=1CC(=O)NC(=O)C1 Amb24101842 [0,0,0,1,0,1|1,0,1]=4 1355 B11R1.74 NC(=O)N1CC(=O)NC(=O)C1 Amb24591884 [0,0,0,1,0,1|2,0,0]=4 1356 B11R1.74 NC(=O)[C@@H]1CC(=O)NC(=O)N1 Amb25235180 [0,0,0,1,0,1|1,0,0]=3 1357 B11R1.74 O=C(Cl)C1CC(=O)CC(=O)C1 Amb21961755 [0,0,0,1,0,1|2,0,0]=4 1358 B11R1.74 O=C1CC(=O)CC(C1)C(=O)O Amb10069927 [0,0,0,1,0,1|2,0,0]=4 1359 B11R1.74 OC(=O)C1CC(=O)C=C(O)C1 Amb23402248 [0,0,0,1,0,1|2,0,0]=4 1360 B11R1.74 OC(=O)C1CC(=O)CC(=O)N1 Amb18200050 [0,0,0,1,0,1|2,0,0]=4 1361 B11R1.75 NC(=O)CCC=1CC(=O)NN1 Amb25123401 [0,0,0,1,0,1|2,0,0]=4 1362 B11R1.108 C=C1CC(C1C(O)=O)C(O)=O Amb25109156 [0,0,0,1,0,1|2,0,0]=4 1363 B11R1.167 CC1CCC(=O)NC1C(O)=O Amb25053909 [0,0,0,1,0,1|1,0,1]=4 1364 B11R1.167 CC=1OCC(=O)NC1C(O)=O Amb25738432 [0,0,0,1,0,1|2,0,0]=4 1365 B11R1.167 NC(=O)C1NC(=O)CNC1=O Amb25066910 [0,0,0,1,0,1|2,0,0]=4 1366 B11R1.167 OC(=O)C1NC(=O)CNC1=O Amb22492426 [0,0,0,1,0,1|1,0,0]=3 1367 B11R1.167 OC(=O)[C@@H]1NC(=O)CC[C@@H]1O Amb25174915 [0,0,0,1,0,1|0,0,2]=4 1368 B11R1.167 OC(=O)[C@@H]1NC(=O)CC[C@H]1O Amb22754033 [0,0,0,1,0,1|0,0,2]=4 1369 B11R1.167 OC(=O)[C@H]1NC(=O)CC[C@@H]1O Amb25241968 [0,0,0,1,0,1|0,0,2]=4 1370 B11R1.167 OC(=O)[C@H]1NC(=O)CC[C@H]1O Amb25327757 [0,0,0,1,0,1|0,0,2]=4 1371 B11R1.645 CC(=O)CC1CC(=O)OC1=O Amb24422481 [0,0,0,1,0,1|2,0,0]=4 1372 B11R1.645 CC(=O)CC1OC(C)=CC1=O Amb24486405 [0,0,0,1,0,1|2,0,0]=4 1373 B11R1.645 CC1=CC(=O)OC1CC(O)=O Amb18125925 [0,0,0,1,0,1|2,0,0]=4 1374 B11R1.645 ClC(=O)CC1SC(=O)NC1=O Amb2537151 [0,0,0,1,0,1|1,1,0]=4 1375 B11R1.645 N=C1NC(=O)C(CC(O)=O)O1 Amb25111244 [0,0,0,1,0,1|2,0,0]=4 1376 B11R1.645 NC(=N)CC1NC(=O)NC1=O Amb24571330 [0,0,0,1,0,1|2,0,0]=4 1377 B11R1.645 NC(=O)CC1CC(=O)NC1=O Amb24487960 [0,0,0,1,0,1|1,0,0]=3 1378 B11R1.645 NC(=O)CC1NC(=O)N=C1N Amb25297710 [0,0,0,1,0,1|2,0,0]=4 1379 B11R1.645 NC(=O)CC1SC(=N)NC1=O Amb2580226 [0,0,0,1,0,1|1,1,0]=4 1380 B11R1.645 NC(=O)CC1SC(=O)NC1=N Amb1105840 [0,0,0,1,0,1|1,1,0]=4 1381 B11R1.645 NC(=O)CN1CC(=O)CC1=O Amb24522992 [0,0,0,1,0,1|2,0,0]=4 1382 B11R1.645 NC(=O)CN1CC(=O)NC1=O Amb25844665 [0,0,0,1,0,1|2,0,0]=4 1383 B11R1.645 NC(=O)N[13CH]1[15NH]C(=O)NC1=O Amb22367334 [0,0,0,1,0,1|2,0,0]=4 1384 B11R1.645 NC(=O)N[C@@H]1NC(=O)NC1=O Amb24358020 [0,0,0,1,0,1|2,0,0]=4 1385 B11R1.645 OC(=O)CC1CC(=O)OC1=O Amb1091982 [0,0,0,1,0,1|2,0,0]=4 1386 B11R1.645 OC(=O)CC1NC(=O)NC1=O Amb1159141 [0,0,0,1,0,1|2,0,0]=4 1387 B11R1.645 OC(=O)CC1NC(=O)OC1=O Amb24419989 [0,0,0,1,0,1|2,0,0]=4 1388 B11R1.645 OC(=O)CC1OC(=O)C=C1Br Amb17596018 [0,0,0,1,0,1|2,0,0]=4 1389 B11R1.645 OC(=O)CC1OC(=O)C=C1Cl Amb24426193 [0,0,0,1,0,1|2,0,0]=4 1390 B11R1.645 OC(=O)CC1OC(=O)CC1=O Amb24664110 [0,0,0,1,0,1|1,0,0]=3 1391 B11R1.645 OC(=O)CC1SC(=O)NC1=O Amb1154660 [0,0,0,1,0,1|1,1,0]=4 1392 B11R1.645 OC(=O)C[C@@H]1NC(=O)NC1=O Amb16226225 [0,0,0,1,0,1|2,0,0]=4 1393 B11R1.645 OC(=O)C[C@@H]1NC(=O)OC1=O Amb24652427 [0,0,0,1,0,1|2,0,0]=4 1394 B11R1.645 OC(=O)C[C@@H]1NC(=O)SC1=O Amb24355907 [0,0,0,1,0,1|2,0,0]=4 1395 B11R1.645 OC(=O)C[C@@H]1OC(=O)C=C1O Amb24656939 [0,0,0,1,0,1|1,0,1]=4 1396 B11R1.645 OC(=O)C[C@@H]1SC(=O)NC1=O Amb24509487 [0,0,0,1,0,1|1,1,0]=4 1397 B11R1.645 [15NH2][13C](=O)[15NH]C1[15NH][13C](=O)[15NH]C1=O Amb17607784 [0,0,0,1,0,1|2,0,0]=4 1398 B11R1.645 [O-]C(=O)CC1SC(=O)NC1=O Amb2516228 [0,0,0,1,0,1|1,1,0]=4 1399 B11R1.21 OC(=O)C1=CCC(=O)C(=O)O1 Amb25723163 [0,0,0,1,0,1|1,0,1]=4 1400 B11R1.21 OC(=O)C1CCC(=O)C(=O)N1 Amb24361535 [0,0,0,1,0,1|2,0,0]=4 1401 B11R1.21 OC(=O)[C@H]1CNC(=O)C(=O)N1 Amb25152692 [0,0,0,1,0,1|2,0,0]=4 1402 B11R1.21 OC(=O)[C@H]1COC(=O)C(=O)N1 Amb24704939 [0,0,0,1,0,1|2,0,0]=4 1403 B11R1.80 CC1=CC(CC(O)=O)OC1=O Amb18125922 [0,0,0,1,0,1|2,0,0]=4 1404 B11R1.80 OC(=O)C[C@@H]1C=C(F)C(=O)O1 Amb25724279 [0,0,0,1,0,1|2,0,0]=4 1405 B11R1.153 CC(=C)C(=O)OC1CC(=O)N1 Amb24409599 [0,0,0,1,0,1|2,0,0]=4 1406 B11R1.175 NC(=O)C1CC(=NO1)C(O)=O Amb25851274 [0,0,0,1,0,1|2,0,0]=4 1407 B11R1.175 NC(=O)C1CCC(C1)C(O)=O Amb18126050 [0,0,0,1,0,1|1,0,1]=4 1408 B11R1.175 NC(=O)C1CCC(O1)C(O)=O Amb25111716 [0,0,0,1,0,1|0,0,2]=4 1409 B11R1.175 NC(=O)C1CCC(S1)C(O)=O Amb25323095 [0,0,0,1,0,1|0,1,1]=4 1410 B11R1.175 NC(=O)N1CC(CC1)C(O)=O Amb18280901 [0,0,0,1,0,1|1,0,1]=4 1411 B11R1.175 NC(=O)[C@@H]1CC[C@@H](N1)C(O)=O Amb23560440 [0,0,0,1,0,1|1,0,1]=4 1412 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(O)=O Amb24384443 [0,0,0,1,0,1|0,0,2]=4 1413 B11R1.175 NC(=O)[C@@H]1CC[C@@H](S1)C(O)=O Amb23560409 [0,0,0,1,0,1|0,1,1]=4 1414 B11R1.175 NC(=O)[C@@H]1CC[C@H](N1)C(O)=O Amb23560427 [0,0,0,1,0,1|1,0,1]=4 1415 B11R1.175 NC(=O)[C@@H]1CC[C@H](S1)C(O)=O Amb23560425 [0,0,0,1,0,1|0,1,1]=4 1416 B11R1.175 NC(=O)[C@H]1CC[C@H](O1)C(O)=O Amb25143267 [0,0,0,1,0,1|0,0,2]=4 1417 B11R1.175 OC(=O)C1=CCC(O1)C(O)=O Amb24565706 [0,0,0,1,0,1|1,0,1]=4 1418 B11R1.175 OC(=O)C=1CC(CC1)C(O)=O Amb24365900 [0,0,0,1,0,1|2,0,0]=4 1419 B11R1.314 CC(C1CCC(=O)N1)C(O)=O Amb24741902 [0,0,0,1,0,1|1,0,1]=4 1420 B11R1.314 CN(O)C(=O)[C@@H]1CCC(=O)N1 Amb25831045 [0,0,0,1,0,1|2,0,0]=4 1421 B11R1.314 NC1CN(CC1)C(=O)C(O)=O Amb18279611 [0,0,0,1,0,1|1,0,1]=4 1422 B11R1.314 N[C@@H]1CN(CC1)C(=O)C(O)=O Amb24406496 [0,0,0,1,0,1|1,0,1]=4 1423 B11R1.314 OC(=O)C(=O)C1=CSC(=O)N1 Amb24543450 [0,0,0,1,0,1|0,0,2]=4 1424 B11R1.565 OC(=O)C1CNC(=O)CCN1 Amb24697001 [0,0,0,1,0,1|1,0,1]=4 1425 B11R1.565 OC(=O)C1CNC(=O)CCO1 Amb24694511 [0,0,0,1,0,1|1,0,1]=4 1426 B11R1.667 CC1(CCCC(=O)N1)C(O)=O Amb23590303 [0,0,0,1,0,1|1,0,1]=4 1427 B11R1.927 NC(=O)CC1CC1(N)C(O)=O Amb25738018 [0,0,0,1,0,1|1,0,1]=4 1428 B11R1.166 CC(=O)C1=CCC(=O)NC1=O Amb25712113 [0,1,0,1,0,0|1,0,1]=4 1429 B11R1.166 CC(=O)N1CCC(=O)NC1=O Amb25785041 [0,1,0,1,0,0|2,0,0]=4 1430 B11R1.166 CC(N)=C1CCC(=O)NC1=O Amb24740119 [0,1,0,1,0,0|2,0,0]=4 1431 B11R1.166 CC1CC(=O)NCC1C(O)=O Amb25149101 [0,1,0,1,0,0|1,0,1]=4 1432 B11R1.166 CC1CC(=O)NN=C1C(O)=O Amb24062278 [0,1,0,1,0,0|1,0,0]=3 1433 B11R1.166 CC1NC(=O)CCC1C(O)=O Amb25196740 [0,1,0,1,0,0|1,0,1]=4 1434 B11R1.166 CC=1NC(=O)CCC1C(O)=O Amb25087837 [0,1,0,1,0,0|1,0,0]=3 1435 B11R1.166 C\C(\O)=C\1/CCC(=O)NC1=O Amb25189123 [0,1,0,1,0,0|1,0,0]=3 1436 B11R1.166 NC(=O)C1CCC(=O)NC1=O Amb24615817 [0,1,0,1,0,0|1,0,1]=4 1437 B11R1.166 O=C1CSC(=C(N1)C)C(=O)O Amb17112126 [0,1,0,1,0,0|2,0,0]=4 1438 B11R1.166 O=C1NC=C(C(C1)C)C(=O)C Amb2386716 [0,1,0,1,0,0|2,0,0]=4 1439 B11R1.166 OC(=O)C1=CNC(=O)NC1=O Amb18528739 [0,1,0,1,0,0|1,0,1]=4 1440 B11R1.166 OC(=O)C1=NNC(=O)NC1=O Amb18126033 [0,1,0,1,0,0|2,0,0]=4 1441 B11R1.166 OC(=O)C1CNC(=O)NC1=O Amb22228347 [0,1,0,1,0,0|1,0,1]=4 1442 B11R1.313 OC(=O)CC1COC(=O)C1=O Amb24627056 [0,1,0,1,0,0|1,0,0]=3 1443 B11R1.672 CC1C(OC(=O)C1=O)C(O)=O Amb24634109 [0,1,0,1,0,0|1,0,0]=3 1444 B11R1.672 CC=1C(OC(=O)C1C)C(N)=O Amb25111058 [0,1,0,1,0,0|1,0,1]=4 1445 B11R1.672 OC(=O)C1CC(=O)N(O)C1=O Amb24607298 [0,1,0,1,0,0|2,0,0]=4 1446 B11R1.22 COC(=O)C1CCC(=O)NN1 Amb25832248 [0,1,0,1,0,0|1,0,1]=4 1447 B11R1.22 COC(=O)C1CNC(=O)CC1 Amb19957331 [0,1,0,1,0,0|1,0,1]=4 1448 B11R1.22 COC(=O)C=1CCC(=O)CC1 Amb24380856 [0,1,0,1,0,0|2,0,0]=4 1449 B11R1.22 COC(=O)C=1CCC(=O)NN1 Amb19930081 [0,1,0,1,0,0|1,0,0]=3 1450 B11R1.22 COC(=O)C=1CCC(N)=CC1 Amb24099079 [0,1,0,1,0,0|2,0,0]=4 1451 B11R1.22 COC(=O)C=1CNC(=O)NC1 Amb24444796 [0,1,0,1,0,0|2,0,0]=4 1452 B11R1.48 CCC1CC(OC1=O)C(N)=O Amb25060699 [0,1,0,1,0,0|1,0,1]=4 1453 B11R1.90 NC(=O)CCN1CCOC1=O Amb18787749 [0,1,0,1,0,0|2,0,0]=4 1454 B11R1.885 COC(=O)C1(C)CCC(=O)N1 Amb23596470 [0,1,0,1,0,0|1,0,1]=4 1455 B11R1.1270 CN1C(=O)CCC1(C)C(O)=O Amb23515115 [0,1,0,1,0,0|1,0,1]=4 1456 B11R1.1270 CN1C(=O)CCC1(O)C(O)=O Amb24487847 [0,1,0,1,0,0|0,0,2]=4 1457 B11R1.416 C#C[C@]1(CCC(=O)N1)C(O)=O Amb24677070 [0,1,0,1,0,0|1,0,1]=4 1458 B11R1.416 OC(=O)C1(CCC(=O)N1)CO Amb24538232 [0,1,0,1,0,0|0,0,2]=4 1459 B11R1.416 OC(=O)[C@]1(CCC(=O)N1)CO Amb25288092 [0,1,0,1,0,0|0,0,2]=4 1460 B11R1.487 CC1(CC(=C)C(=O)O1)C(O)=O Amb25108189 [0,1,0,1,0,0|2,0,0]=4 1461 B11R1.487 CC1(CC(=O)C(O)=C1)C(O)=O Amb25738433 [0,1,0,1,0,0|2,0,0]=4 1462 B11R1.487 CC1CC(O)(NC1=O)C(O)=O Amb24694924 [0,1,0,1,0,0|0,0,2]=4 1463 B11R1.487 C[C@]1(CC(=C)C(=O)O1)C(O)=O Amb25783891 [0,1,0,1,0,0|2,0,0]=4 1464 B11R2.746 OC(=O)C12CNC(=O)C1C2 Amb25225360 [0,0,0,2,0,0|1,0,1]=4 1465 B11R2.411 OC(=O)C12CC1CC(=O)N2 Amb24480704 [0,0,0,2,0,0|1,0,1]=4 1466 B7R0.2 CC(=O)CC(=O)NO Amb24096625 [1,0,0,0,1,0|2,0,0]=4 1467 B7R0.2 CC(=O)CC(=S)C=O Amb25142738 [1,0,0,0,1,0|1,1,0]=4 1468 B7R0.2 CC(CC(N)=O)=CCl Amb25663357 [1,0,0,0,1,0|2,0,0]=4 1469 B7R0.2 CNC(=O)CC(N)=O Amb24400836 [1,0,0,0,1,0|2,0,0]=4 1470 B7R0.2 COC(=O)CC(N)=O Amb22043417 [1,0,0,0,1,0|2,0,0]=4 1471 B7R0.2 C\C(\CC(N)=O)=C\C Amb25055448 [1,0,0,0,1,0|2,0,0]=4 1472 B7R0.2 NC(=O)NC(=O)C=C Amb13951205 [1,0,0,0,1,0|2,0,0]=4 1473 B7R0.2 NC(CC(N)=O)C=O Amb24482471 [1,0,0,0,1,0|1,0,1]=4 1474 B7R0.2 NNC(=O)CC(=O)N Amb1980864 [1,0,0,0,1,0|2,0,0]=4 1475 B7R0.2 N[C@@H](CC(N)=O)C=O Amb24446454 [1,0,0,0,1,0|1,0,1]=4 1476 B7R0.2 OC(=O)CC(=O)NO Amb24444078 [1,0,0,0,1,0|2,0,0]=4 1477 B7R0.16 C=C(C(O)=O)C(O)=O Amb24481368 [0,0,0,0,2,0|2,0,0]=4 1478 B7R0.16 CC(=O)C(=O)C(O)=O Amb24101563 [0,0,0,0,2,0|1,0,0]=3 1479 B7R0.16 CC(C(O)=O)=C(C)N Amb24527948 [0,0,0,0,2,0|2,0,0]=4 1480 B7R0.16 N=C(C(O)=O)C(O)=O Amb24334530 [0,0,0,0,2,0|2,0,0]=4 1481 B7R0.16 NC(=O)C(=O)C(O)=O Amb25344375 [0,0,0,0,2,0|0,0,0]=2 1482 B7R0.16 NC(=O)C(Cl)C(O)=O Amb25756168 [0,0,0,0,2,0|1,0,1]=4 1483 B7R0.16 NC(=O)C(F)C(O)=O Amb25376646 [0,0,0,0,2,0|1,0,1]=4 1484 B7R0.16 NC(=O)C(N)C(O)=O Amb24552728 [0,0,0,0,2,0|1,0,1]=4 1485 B7R0.16 NC(=O)C(O)C(O)=O Amb24548669 [0,0,0,0,2,0|0,0,2]=4 1486 B7R0.16 O=C(C(=O)C)C(=O)C Amb17593178 [0,0,0,0,2,0|2,0,0]=4 1487 B7R0.16 OC(=O)C(=O)C(O)=O Amb18641943 [0,0,0,0,2,0|1,0,0]=3 1488 B7R0.16 OC(=O)C(=O)C(O)=O Amb22230802 [0,0,0,0,2,0|1,0,0]=3 1489 B7R0.16 OC(=O)C(=S)C(O)=O Amb24544781 [0,0,0,0,2,0|1,1,0]=4 1490 B7R0.16 [O-]C(=O)C(=O)C([O-])=O Amb22234835 [0,0,0,0,2,0|1,0,1]=4 1491 B9R0.4 C=CCNC(=O)CC(=O)O Amb17399877 [1,0,0,0,0,1|2,0,0]=4 1492 B9R0.4 C=CCOC(=O)CC(O)=O Amb18644068 [1,0,0,0,0,1|2,0,0]=4 1493 B9R0.4 CC(=O)CC(=O)CCC=C Amb25251407 [1,0,0,0,0,1|2,0,0]=4 1494 B9R0.4 CC(=O)CC(=O)CCC=O Amb25365156 [1,0,0,0,0,1|1,0,0]=3 1495 B9R0.4 CC(C)=CC(=O)CCC=O Amb18643573 [1,0,0,0,0,1|2,0,0]=4 1496 B9R0.4 C\C(\CCC=C)=C/C(O)=O Amb18643565 [1,0,0,0,0,1|2,0,0]=4 1497 B9R0.4 C\C(\CCC=C)=C\C(O)=O Amb25242614 [1,0,0,0,0,1|2,0,0]=4 1498 B9R0.4 C\C(\O)=C\C(=O)CCC=C Amb25205826 [1,0,0,0,0,1|2,0,0]=4 1499 B9R0.4 NC(=O)NC(=O)CCCN Amb18251281 [1,0,0,0,0,1|1,0,1]=4 1500 B9R0.4 NC(=O)NC(=O)CCCN Amb20669155 [1,0,0,0,0,1|1,0,1]=4 1501 B9R0.55 CC(=O)CCCC=C(C)O Amb24627452 [1,0,0,0,0,1|2,0,0]=4 1502 B9R0.55 CC(=O)CCCCC(N)=O Amb24505160 [1,0,0,0,0,1|1,0,1]=4 1503 B9R0.55 CC(=O)CCCNC(N)=O Amb24333544 [1,0,0,0,0,1|1,0,1]=4 1504 B9R0.55 CC(=O)CCC\C=C(\C)/O Amb24546380 [1,0,0,0,0,1|2,0,0]=4 1505 B9R0.55 CC(=O)CCSCC(N)=O Amb24733496 [1,0,0,0,0,1|1,0,1]=4 1506 B9R0.55 CC(=O)CCSCC(O)=O Amb24443138 [1,0,0,0,0,1|1,0,1]=4 1507 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [1,0,0,0,0,1|1,0,0]=3 1508 B9R0.55 CC(=O)N\C=C\CC(N)=O Amb24584165 [1,0,0,0,0,1|1,0,1]=4 1509 B9R0.55 CC(=O)OCCCC(N)=O Amb25333292 [1,0,0,0,0,1|1,0,1]=4 1510 B9R0.55 CC(=O)OCCCC(O)=O Amb24480808 [1,0,0,0,0,1|1,0,1]=4 1511 B9R0.55 CC(=O)OC\C=C\C(O)=O Amb24454652 [1,0,0,0,0,1|1,0,1]=4 1512 B9R0.55 NC(=N)CCCCC(O)=O Amb25147486 [1,0,0,0,0,1|1,0,1]=4 1513 B9R0.55 NC(=N)CNCCC(O)=O Amb24394430 [1,0,0,0,0,1|1,0,1]=4 1514 B9R0.55 NC(=O)CCCNC(N)=O Amb24705966 [1,0,0,0,0,1|1,0,1]=4 1515 B9R0.55 NC(=O)CCCOP(O)=O Amb25078195 [1,0,0,0,0,1|1,0,1]=4 1516 B9R0.55 NC(=O)CCOCC(O)=O Amb25146949 [1,0,0,0,0,1|0,0,1]=3 1517 B9R0.55 NC(=O)CC\C=C\C(N)=O Amb25111607 [1,0,0,0,0,1|1,0,0]=3 1518 B9R0.55 NC(=O)CN\C=C\C(O)=O Amb25342855 [1,0,0,0,0,1|0,0,1]=3 1519 B9R0.55 NC(=O)COCCC(N)=O Amb25063003 [1,0,0,0,0,1|1,0,1]=4 1520 B9R0.55 NC(=O)C\C=C\CC(N)=O Amb25856677 [1,0,0,0,0,1|1,0,1]=4 1521 B9R0.55 NC(=O)NCCNC(=O)N Amb1146040 [1,0,0,0,0,1|2,0,0]=4 1522 B9R0.55 NC(=O)OCCNC(N)=O Amb25775544 [1,0,0,0,0,1|2,0,0]=4 1523 B9R0.55 NC(=O)OCCOC(=O)Cl Amb24692809 [1,0,0,0,0,1|2,0,0]=4 1524 B9R0.55 NC(=O)\C=C\CCC(O)=O Amb25146295 [1,0,0,0,0,1|0,0,2]=4 1525 B9R0.55 NC(=O)\C=N\OCC(N)=O Amb24479072 [1,0,0,0,0,1|2,0,0]=4 1526 B9R0.55 OC(=O)C=NOCC(O)=O Amb25175100 [1,0,0,0,0,1|2,0,0]=4 1527 B9R0.55 OC(=O)CCC=CC(O)=O Amb20622952 [1,0,0,0,0,1|1,0,0]=3 1528 B9R0.55 OC(=O)CCCCC(O)=O Amb22043229 [1,0,0,0,0,1|1,0,1]=4 1529 B9R0.55 OC(=O)CCCCC(O)=O Amb22167453 [1,0,0,0,0,1|1,0,1]=4 1530 B9R0.55 OC(=O)CCCCC(O)=O Amb22336279 [1,0,0,0,0,1|1,0,1]=4 1531 B9R0.55 OC(=O)CCCCC(O)=O Amb22338188 [1,0,0,0,0,1|1,0,1]=4 1532 B9R0.55 OC(=O)CCCCC(O)=O Amb22351345 [1,0,0,0,0,1|1,0,1]=4 1533 B9R0.55 OC(=O)CCCCC(O)=O Amb22351401 [1,0,0,0,0,1|1,0,1]=4 1534 B9R0.55 OC(=O)CCCCC(O)=O Amb22351452 [1,0,0,0,0,1|1,0,1]=4 1535 B9R0.55 OC(=O)CCCCC(O)=O Amb22351586 [1,0,0,0,0,1|1,0,1]=4 1536 B9R0.55 OC(=O)CCCCC(O)=O Amb22353360 [1,0,0,0,0,1|1,0,1]=4 1537 B9R0.55 OC(=O)CCCCC(O)=O Amb22363211 [1,0,0,0,0,1|1,0,1]=4 1538 B9R0.55 OC(=O)CCCNC(=O)N Amb1104859 [1,0,0,0,0,1|0,0,1]=3 1539 B9R0.55 OC(=O)CC\C=C\C(O)=O Amb24117843 [1,0,0,0,0,1|1,0,0]=3 1540 B9R0.55 OC(=O)CNCCC(O)=O Amb18098292 [1,0,0,0,0,1|1,0,1]=4 1541 B9R0.55 OC(=O)COCCC(O)=O Amb25046530 [1,0,0,0,0,1|1,0,1]=4 1542 B9R0.55 OC(=O)CSCCC(=O)O Amb17594067 [1,0,0,0,0,1|1,0,1]=4 1543 B9R0.55 OC(=O)CSCCC(=S)N Amb17503232 [1,0,0,0,0,1|0,1,1]=4 1544 B9R0.55 OC(=O)C\C=C/CC(O)=O Amb25132103 [1,0,0,0,0,1|1,0,1]=4 1545 B9R0.55 OC(=O)\C=C\SCC(O)=O Amb18645625 [1,0,0,0,0,1|1,0,1]=4 1546 B9R0.55 O[13C](=O)CCCC[13C](O)=O Amb22338172 [1,0,0,0,0,1|1,0,1]=4 1547 B9R0.55 [O-]C(=O)CCCCC(O)=O Amb21934396 [1,0,0,0,0,1|1,0,1]=4 1548 B11R0.6 CC(=O)CC(=O)CCCC(O)=O Amb22347933 [0,0,0,0,0,2|2,0,0]=4 1549 B11R0.6 OC(=O)CSCC(=O)NC(=O)N Amb1128052 [0,0,0,0,0,2|2,0,0]=4 1550 B11R0.85 CC(=O)CNC(=O)\C=C\C(O)=O Amb20407494 [0,0,0,0,0,2|2,0,0]=4 1551 B11R0.85 CC(=O)NNC(=O)CNC(N)=O Amb25106645 [0,0,0,0,0,2|2,0,0]=4 1552 B11R0.85 NC(=O)CCS(=O)CCC(=O)N Amb11032423 [0,0,0,0,0,2|2,0,0]=4 1553 B11R0.85 OC(=O)CCC(=O)NCC(O)=O Amb17940408 [0,0,0,0,0,2|1,0,0]=3 1554 B11R0.85 OC(=O)\C=C\C(=O)NCC(O)=O Amb19006231 [0,0,0,0,0,2|2,0,0]=4 1555 B11R0.29 NC(=O)CCCNC(=O)C(O)=O Amb18795195 [0,0,0,0,0,2|0,0,0]=2 1556 B11R0.29 NC(=O)NCCC[C@@H](N)C(O)=O Amb22744872 [0,0,0,0,0,2|1,0,1]=4 1557 B11R0.29 NC(=O)NCCC[C@H](N)C(O)=O Amb22169596 [0,0,0,0,0,2|1,0,1]=4