0 B8R0.37 CC(=C)C(C(=O)O)(C)C 1P00C927 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.37 CC(=C)C(C(=O)O)(O)C 1P0026XC [0,0,0,0,0,0|1,0,0]=1 2 B8R0.37 CC(C(C(=O)N)(N)C)C 1P003GT6 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.37 CC(C(C(=O)O)(Br)C)C 1P028G91 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.37 CC(C(C(=O)O)(C)C)C 1P00DA2M [0,0,0,0,0,0|2,0,1]=3 5 B8R0.37 CC(C(C(=O)O)(C)C)N 1P024FYF [0,0,0,0,0,0|2,0,1]=3 6 B8R0.37 CC(C(C(=O)O)(C)C)O 1P00BSEB [0,0,0,0,0,0|1,0,2]=3 7 B8R0.37 CC(C(C(=O)O)(F)F)O 1P01E8JX [0,0,0,0,0,0|2,0,2]=4 8 B8R0.37 CC(C(C(=O)O)(O)C)C 1P00CNXG [0,0,0,0,0,0|1,0,1]=2 9 B8R0.37 CC(C(C(O)C)(O)C)O 1P01DYXH [0,0,0,0,0,0|1,0,3]=4 10 B8R0.37 CC([C@@](C(=O)N)(N)C)C 1P006EYP [0,0,0,0,0,0|3,0,1]=4 11 B8R0.37 CC([C@@](C(=O)O)(N)C)C 1P002T24 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.37 CC([C@](C(=O)O)(N)C)C 1P003CPE [0,0,0,0,0,0|2,0,1]=3 13 B8R0.37 CN(C(C(=O)O)(C)C)C 1P00C5KG [0,0,0,0,0,0|3,0,0]=3 14 B8R0.37 CN(C(C(=O)O)(C)C)C 1P01A0V4 [0,0,0,0,0,0|3,0,0]=3 15 B8R0.37 ClC(=C)C(C(=O)O)(C)C 1P00IAKJ [0,0,0,0,0,0|2,0,1]=3 16 B8R0.37 ClC(=O)C(C(=O)Cl)(C)C 1P003Q43 [0,0,0,0,0,0|3,0,0]=3 17 B8R0.37 FC(C(C(=O)C)(C)C)F 1P01B7IH [0,0,0,0,0,0|3,0,1]=4 18 B8R0.37 FC(C(C(=O)O)(C)C)F 1P00RYSQ [0,0,0,0,0,0|3,0,1]=4 19 B8R0.37 FC(C(C(=O)O)(N)C)F 1P01ELZL [0,0,0,0,0,0|3,0,1]=4 20 B8R0.37 FC(C(C(=O)[O-])(O)C)F 1P028W41 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.37 NC(=O)C(C(=O)N)(Br)Br 1P003PSS [0,0,0,0,0,0|4,0,0]=4 22 B8R0.37 NC(=O)C(C(=O)N)(C)C 1P00CVL7 [0,0,0,0,0,0|3,0,0]=3 23 B8R0.37 NC(=O)C(C(=O)N)(F)F 1P00C0ZV [0,0,0,0,0,0|4,0,0]=4 24 B8R0.37 NC(=O)C(C(=O)O)(C)C 1P000C11 [0,0,0,0,0,0|2,0,0]=2 25 B8R0.37 NC(=O)C(C(=O)O)(F)F 1P01FLFF [0,0,0,0,0,0|3,0,0]=3 26 B8R0.37 OC(=O)C(C(=O)O)(C)C 1P003588 [0,0,0,0,0,0|2,0,0]=2 27 B8R0.37 OC(=O)C(C(=O)O)(F)F 1P001NSD [0,0,0,0,0,0|3,0,0]=3 28 B8R0.37 [O-]C(=O)C(C(=O)N)(F)F 1P01BHRP [0,0,0,0,0,0|3,0,1]=4 29 B8R0.37 [O-]C(=O)C(C(=O)[O-])(O)O 1P003UTM [0,0,0,0,0,0|2,0,1]=3 30 B7R0.13 BrCC(C(=O)O)(C)C 1P00I5SQ [1,0,0,0,0,0|2,0,1]=4 31 B7R0.13 C#CC(C(=O)O)(C)C 1P00380P [1,0,0,0,0,0|1,0,2]=4 32 B7R0.13 C=CC(C(=O)O)(C)C 1P0008RY [1,0,0,0,0,0|1,0,1]=3 33 B7R0.13 C=CC(C(=O)O)(F)F 1P01IXT6 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.13 CC(C(=O)N)(CC)N 1P01A94H [1,0,0,0,0,0|2,0,1]=4 35 B7R0.13 CC(C(=O)N)(CC)N 1P01ADWL [1,0,0,0,0,0|2,0,1]=4 36 B7R0.13 CC(C(=O)O)(C=C)O 1P007JFU [1,0,0,0,0,0|0,0,1]=2 37 B7R0.13 CC(C(=O)O)(CBr)Br 1P00CNNH [1,0,0,0,0,0|2,0,1]=4 38 B7R0.13 CC(C(=O)O)(CBr)F 1P0292LL [1,0,0,0,0,0|2,0,1]=4 39 B7R0.13 CC(C(=O)O)(CC)Br 1P00BY6X [1,0,0,0,0,0|1,0,1]=3 40 B7R0.13 CC(C(=O)O)(CC)F 1P028RFD [1,0,0,0,0,0|1,0,1]=3 41 B7R0.13 CC(C(=O)O)(CC)N 1P0072LM [1,0,0,0,0,0|1,0,1]=3 42 B7R0.13 CC(C(=O)O)(CC)N 1P00FJ8C [1,0,0,0,0,0|1,0,1]=3 43 B7R0.13 CC(C(=O)O)(CC)O 1P0033ST [1,0,0,0,0,0|0,0,1]=2 44 B7R0.13 CC(C(=O)O)(CCl)Cl 1P003FYA [1,0,0,0,0,0|2,0,1]=4 45 B7R0.13 CCC(C(=O)C)(C)C 1P002J2S [1,0,0,0,0,0|2,0,1]=4 46 B7R0.13 CCC(C(=O)Cl)(C)C 1P003BJY [1,0,0,0,0,0|2,0,1]=4 47 B7R0.13 CCC(C(=O)N)(C)C 1P0006RV [1,0,0,0,0,0|2,0,1]=4 48 B7R0.13 CCC(C(=O)O)(C)C 1P003FSB [1,0,0,0,0,0|1,0,1]=3 49 B7R0.13 CCC(C(=O)O)(F)F 1P002OJF [1,0,0,0,0,0|2,0,1]=4 50 B7R0.13 CCC(C(O)C)(O)C 1P00F6HA [1,0,0,0,0,0|1,0,2]=4 51 B7R0.13 CNC(C(=O)N)(C)C 1P01BBOR [1,0,0,0,0,0|3,0,0]=4 52 B7R0.13 CNC(C(=O)N)(C)C 1P01BCN5 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.13 CNC(C(=O)O)(C)C 1P0017L1 [1,0,0,0,0,0|2,0,0]=3 54 B7R0.13 CNC(C(=O)O)(C)C 1P003TM2 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.13 COC(C(=O)C)(C)C 1P00CS4C [1,0,0,0,0,0|3,0,0]=4 56 B7R0.13 COC(C(=O)N)(C)C 1P008K10 [1,0,0,0,0,0|3,0,0]=4 57 B7R0.13 COC(C(=O)O)(C)C 1P00194A [1,0,0,0,0,0|2,0,0]=3 58 B7R0.13 CSC(C(=O)O)(C)C 1P01B62J [1,0,0,0,0,0|2,0,0]=3 59 B7R0.13 C[C@@](C(=O)O)(CBr)O 1P002SLL [1,0,0,0,0,0|1,0,1]=3 60 B7R0.13 C[C@@](C(=O)O)(CC)N 1P00E3LH [1,0,0,0,0,0|1,0,1]=3 61 B7R0.13 C[C@@](C(=O)O)(CC)O 1P01GB7L [1,0,0,0,0,0|0,0,1]=2 62 B7R0.13 C[C@@](C(=O)O)(CS)N 1P001LN9 [1,0,0,0,0,0|1,1,1]=4 63 B7R0.13 C[C@](C(=O)O)(CBr)O 1P003C5H [1,0,0,0,0,0|1,0,1]=3 64 B7R0.13 C[C@](C(=O)O)(CC)N 1P00313O [1,0,0,0,0,0|1,0,1]=3 65 B7R0.13 C[C@](C(=O)O)(CS)N 1P001NIA [1,0,0,0,0,0|1,1,1]=4 66 B7R0.13 ClCC(C(=O)C)(C)C 1P01C2Z1 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.13 ClCC(C(=O)O)(C)C 1P003441 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.13 FCC(C(=O)O)(C)C 1P0037D5 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.13 N#CC(C(=O)C)(C)C 1P00CL9C [1,0,0,0,0,0|2,0,1]=4 70 B7R0.13 N#CC(C(=O)O)(C)C 1P007OYG [1,0,0,0,0,0|2,0,1]=4 71 B7R0.13 NCC(C(=O)O)(C)C 1P002EZ9 [1,0,0,0,0,0|2,0,1]=4 72 B7R0.13 NCC(C(=O)O)(C)C 1P003JAT [1,0,0,0,0,0|2,0,1]=4 73 B7R0.13 NCC(C(=O)O)(N)C 1P01BAYD [1,0,0,0,0,0|2,0,1]=4 74 B7R0.13 NC[C@@](C(=O)O)(N)C 1P027XE1 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.13 NNC(C(=O)O)(C)C 1P028RCH [1,0,0,0,0,0|3,0,0]=4 76 B7R0.13 NOC(C(=O)O)(C)C 1P004064 [1,0,0,0,0,0|3,0,0]=4 77 B7R0.13 O=CC(C(C)C)(C)C 1P004S1G [1,0,0,0,0,0|2,0,1]=4 78 B7R0.13 O=CC(N(C)C)(C)C 1P001SDN [1,0,0,0,0,0|3,0,0]=4 79 B7R0.13 OCC(C(=O)C)(C)C 1P00AXPU [1,0,0,0,0,0|1,0,1]=3 80 B7R0.13 OCC(C(=O)O)(C)C 1P003K1K [1,0,0,0,0,0|1,0,2]=4 81 B7R0.13 OCC(C(=O)O)(N)C 1P003GUB [1,0,0,0,0,0|1,0,2]=4 82 B7R0.13 OCC(C(=O)O)(N)C 1P01C1TD [1,0,0,0,0,0|1,0,2]=4 83 B7R0.13 OCC(C(=O)O)(O)C 1P0033EN [1,0,0,0,0,0|0,0,2]=3 84 B7R0.13 OCC(C(C)C)(O)C 1P006L5M [1,0,0,0,0,0|1,0,2]=4 85 B7R0.13 OCC(C(O)C)(O)C 1P01DWRZ [1,0,0,0,0,0|0,0,3]=4 86 B7R0.13 OC[C@@](C(=O)O)(N)C 1P001YE4 [1,0,0,0,0,0|1,0,2]=4 87 B7R0.13 OC[C@](C(=O)O)(N)C 1P0055UM [1,0,0,0,0,0|1,0,2]=4 88 B7R0.16 BrC(C(=O)O)C(C)C 1P0036DQ [1,0,0,0,0,0|2,0,1]=4 89 B7R0.16 Br[C@@H](C(=O)O)C(C)C 1P00G3NN [1,0,0,0,0,0|2,0,1]=4 90 B7R0.16 Br[C@H](C(=O)O)C(C)C 1P003CVL [1,0,0,0,0,0|2,0,1]=4 91 B7R0.16 CC(=C(C(=O)O)Br)C 1P001Q6W [1,0,0,0,0,0|2,0,1]=4 92 B7R0.16 CC(=C(C(=O)O)C)C 1P019YZ2 [1,0,0,0,0,0|1,0,1]=3 93 B7R0.16 CC(=C(C(=O)O)Cl)C 1P01QZ77 [1,0,0,0,0,0|2,0,1]=4 94 B7R0.16 CC(=C(C(=O)O)F)C 1P01A0CN [1,0,0,0,0,0|2,0,1]=4 95 B7R0.16 CC(C(=O)C)C(=O)C 1P003K5P [1,0,0,0,0,0|1,0,0]=2 96 B7R0.16 CC(C(=O)Cl)C(C)C 1P00DRED [1,0,0,0,0,0|2,0,1]=4 97 B7R0.16 CC(C(=O)N)C(=O)N 1P003I6E [1,0,0,0,0,0|2,0,0]=3 98 B7R0.16 CC(C(=O)N)N(C)C 1P0285J8 [1,0,0,0,0,0|3,0,0]=4 99 B7R0.16 CC(C(=O)O)C(=O)O 1P003SKU [1,0,0,0,0,0|1,0,0]=2 100 B7R0.16 CC(C(=O)O)C(C)C 1P007ZPC [1,0,0,0,0,0|1,0,1]=3 101 B7R0.16 CC(C(=O)O)C(F)F 1P0286NJ [1,0,0,0,0,0|2,0,1]=4 102 B7R0.16 CC(C(=O)O)C(N)C 1P01AV78 [1,0,0,0,0,0|1,0,1]=3 103 B7R0.16 CC(C(=O)O)N(C)C 1P00ADBV [1,0,0,0,0,0|2,0,0]=3 104 B7R0.16 CC(C(=O)[O-])C(=O)[O-] 1P00E37J [1,0,0,0,0,0|1,0,1]=3 105 B7R0.16 CC(C(=O)[O-])C(=O)[O-] 1P01XCPB [1,0,0,0,0,0|1,0,1]=3 106 B7R0.16 CC(C(C(=O)C)C)C 1P01HJ3E [1,0,0,0,0,0|2,0,1]=4 107 B7R0.16 CC(C(C(=O)O)C)O 1P00DDYP [1,0,0,0,0,0|0,0,2]=3 108 B7R0.16 CC(C(C(=O)O)F)O 1P01BGEK [1,0,0,0,0,0|1,0,2]=4 109 B7R0.16 CC(C(C(=O)O)N)O 1P01DL1Y [1,0,0,0,0,0|1,0,2]=4 110 B7R0.16 CC(C(C(=O)O)O)N 1P028U2M [1,0,0,0,0,0|1,0,1]=3 111 B7R0.16 CN(C(=O)C)C(=O)C 1P003TO0 [1,0,0,0,0,0|2,0,0]=3 112 B7R0.16 CN(C(=O)Cl)C(=O)C 1P01ENAP [1,0,0,0,0,0|2,0,0]=3 113 B7R0.16 CN(C(=O)N)C(=O)N 1P01DWZR [1,0,0,0,0,0|3,0,0]=4 114 B7R0.16 CP(=O)C(C(=O)O)O 1P006ECW [1,0,0,0,0,0|1,0,0]=2 115 B7R0.16 C[C@@H](C(=O)N)N(C)C 1P02801D [1,0,0,0,0,0|3,0,0]=4 116 B7R0.16 C[C@@H](C(=O)O)C(C)C 1P002VES [1,0,0,0,0,0|1,0,1]=3 117 B7R0.16 C[C@@H](C(=O)O)N(C)C 1P001XKS [1,0,0,0,0,0|2,0,0]=3 118 B7R0.16 C[C@@H](C(=O)O)N(C)C 1P00BHJU [1,0,0,0,0,0|2,0,0]=3 119 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O 1P001J7L [1,0,0,0,0,0|1,0,2]=4 120 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O 1P00IBMP [1,0,0,0,0,0|1,0,2]=4 121 B7R0.16 C[C@@H]([C@H](C(=O)O)O)N 1P003B1L [1,0,0,0,0,0|1,0,1]=3 122 B7R0.16 C[C@H](C(=O)N)N(C)C 1P024HWJ [1,0,0,0,0,0|3,0,0]=4 123 B7R0.16 C[C@H](C(=O)O)C(C)C 1P001N9S [1,0,0,0,0,0|1,0,1]=3 124 B7R0.16 C[C@H](C(=O)O)N(C)C 1P001PX5 [1,0,0,0,0,0|2,0,0]=3 125 B7R0.16 C[C@H](C(=O)O)N(C)C 1P00J3DF [1,0,0,0,0,0|2,0,0]=3 126 B7R0.16 C[C@H]([C@@H](C(=O)O)N)Br 1P028AO9 [1,0,0,0,0,0|2,0,1]=4 127 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O 1P00359M [1,0,0,0,0,0|1,0,2]=4 128 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O 1P00IB51 [1,0,0,0,0,0|1,0,2]=4 129 B7R0.16 C[C@H]([C@H](C(=O)O)N)F 1P01BVN1 [1,0,0,0,0,0|2,0,1]=4 130 B7R0.16 C[C@H]([C@H](C(=O)O)N)O 1P002Q2X [1,0,0,0,0,0|1,0,2]=4 131 B7R0.16 ClC(C(=O)C)C(=O)C 1P003442 [1,0,0,0,0,0|2,0,0]=3 132 B7R0.16 ClC(C(=O)O)C(C)C 1P019W9W [1,0,0,0,0,0|2,0,1]=4 133 B7R0.16 Cl[C@H](C(=O)O)C(C)C 1P003D1T [1,0,0,0,0,0|2,0,1]=4 134 B7R0.16 FC(=C(C(=O)O)C)F 1P028D5R [1,0,0,0,0,0|2,0,1]=4 135 B7R0.16 FC(C(=O)O)C(=O)O 1P00717X [1,0,0,0,0,0|2,0,0]=3 136 B7R0.16 FC(C(=O)O)C(C)C 1P001Q6L [1,0,0,0,0,0|2,0,1]=4 137 B7R0.16 NC(=O)N(C(=O)N)O 1P028N0C [1,0,0,0,0,0|3,0,0]=4 138 B7R0.16 NC(C(=O)C)C(=O)C 1P01A8FL [1,0,0,0,0,0|2,0,0]=3 139 B7R0.16 NC(C(=O)N)C(=O)N 1P00ECTD [1,0,0,0,0,0|3,0,0]=4 140 B7R0.16 NC(C(=O)O)C(=O)O 1P0083BN [1,0,0,0,0,0|2,0,0]=3 141 B7R0.16 NC(C(=O)O)C(C)C 1P0035KT [1,0,0,0,0,0|2,0,1]=4 142 B7R0.16 N[C@@H](C(=O)O)C(C)C 1P0037JS [1,0,0,0,0,0|2,0,1]=4 143 B7R0.16 N[C@H](C(=O)O)C(C)C 1P00I9OW [1,0,0,0,0,0|2,0,1]=4 144 B7R0.16 N[C@H](C(=O)O)[C@@H](N)C 1P028L4U [1,0,0,0,0,0|2,0,1]=4 145 B7R0.16 N[C@H](C(=O)O)[C@H](N)C 1P00C212 [1,0,0,0,0,0|2,0,1]=4 146 B7R0.16 OC(C(=O)O)C(=O)O 1P003HWB [1,0,0,0,0,0|1,0,0]=2 147 B7R0.16 OC(C(=O)O)C(C)C 1P003HUP [1,0,0,0,0,0|1,0,1]=3 148 B7R0.16 OC(C(=O)O)C(F)F 1P027ABM [1,0,0,0,0,0|2,0,1]=4 149 B7R0.16 O[C@@H](C(=O)O)C(C)C 1P001ZWR [1,0,0,0,0,0|1,0,1]=3 150 B7R0.16 O[C@@H](C(=O)O)C(F)F 1P028XNQ [1,0,0,0,0,0|2,0,1]=4 151 B7R0.16 O[C@H](C(=O)O)C(C)C 1P007V6T [1,0,0,0,0,0|1,0,1]=3 152 B7R0.16 SC(C(=O)O)C(C)C 1P0019CW [1,0,0,0,0,0|1,1,1]=4 153 B7R0.16 [15NH2][13C@H]([13C](=O)O)[13CH]([13CH3])[13CH3] 1P00C25L [1,0,0,0,0,0|2,0,1]=4 154 B9R0.28 CC(C(=O)O)(C(=O)OC)F 1P028P8V [0,1,0,0,0,0|1,0,0]=2 155 B9R0.28 CCC(C(C(=O)O)(C)C)N 1P028UGE [0,1,0,0,0,0|2,0,1]=4 156 B9R0.28 CCC(C(C(=O)O)(C)C)O 1P0291QV [0,1,0,0,0,0|1,0,2]=4 157 B9R0.28 CCC(C(C(=O)O)(N)C)C 1P028OQC [0,1,0,0,0,0|2,0,1]=4 158 B9R0.28 CCN(C(C(=O)O)(C)C)C 1P01A2CZ [0,1,0,0,0,0|3,0,0]=4 159 B9R0.28 CC[C@@H](C(C(=O)O)(C)C)N 1P028UML [0,1,0,0,0,0|2,0,1]=4 160 B9R0.28 CC[C@H](C(C(=O)O)(C)C)N 1P028SXC [0,1,0,0,0,0|2,0,1]=4 161 B9R0.28 CNC(=O)C(C(=O)O)(C)C 1P028D7F [0,1,0,0,0,0|1,0,0]=2 162 B9R0.28 COC(=O)C(C(=O)C)(C)C 1P003S1Y [0,1,0,0,0,0|1,0,0]=2 163 B9R0.28 COC(=O)C(C(=O)C)(O)C 1P003S4O [0,1,0,0,0,0|0,0,0]=1 164 B9R0.28 COC(=O)C(C(=O)Cl)(C)C 1P00H6VP [0,1,0,0,0,0|2,0,0]=3 165 B9R0.28 COC(=O)C(C(=O)[O-])(C)C 1P000UZV [0,1,0,0,0,0|1,0,1]=3 166 B9R0.28 COC(=O)C(C(=O)[O-])(F)F 1P01AD6D [0,1,0,0,0,0|2,0,1]=4 167 B9R0.28 COC(=O)C(C(=S)N)(C)C 1P0290BW [0,1,0,0,0,0|2,1,0]=4 168 B9R0.28 COC(=O)C(C(C)C)(Br)C 1P01AGNI [0,1,0,0,0,0|2,0,1]=4 169 B9R0.28 COC(=O)C(C(C)C)(N)C 1P00B4EY [0,1,0,0,0,0|2,0,1]=4 170 B9R0.28 COC(=O)C(C(C)C)(O)C 1P028PXP [0,1,0,0,0,0|1,0,1]=3 171 B9R0.28 COC(=O)C(C(N)C)(C)C 1P0286PD [0,1,0,0,0,0|2,0,1]=4 172 B9R0.28 COC(=O)C([C@@H](N)C)(C)C 1P028TUY [0,1,0,0,0,0|2,0,1]=4 173 B9R0.28 COC(=O)C([C@H](N)C)(C)C 1P028UV7 [0,1,0,0,0,0|2,0,1]=4 174 B9R0.76 CCC(C(=O)O)(C(=O)N)C 1P028VTQ [0,1,0,0,0,0|2,0,0]=3 175 B9R0.76 CCC(C(=O)O)(C(=O)O)C 1P00EUNX [0,1,0,0,0,0|2,0,0]=3 176 B9R0.76 COC(C(=O)O)(C(C)C)C 1P024MHA [0,1,0,0,0,0|1,0,1]=3 177 B9R0.76 NCC(C(=O)O)(C(C)C)F 1P01EM0B [0,1,0,0,0,0|2,0,1]=4 178 B9R0.80 CC(=O)C(S(=O)(=O)C)(C)C 1P01EKC2 [0,1,0,0,0,0|2,0,1]=4 179 B9R0.80 ClC(=O)C(S(=O)(=O)C)(C)C 1P01BJTQ [0,1,0,0,0,0|3,0,0]=4 180 B9R0.80 OC(=O)C(C(C)(C)C)(C)C 1P0030I4 [0,1,0,0,0,0|2,0,1]=4 181 B9R0.80 OC(=O)C(C(C)(C)C)(N)C 1P00IFY9 [0,1,0,0,0,0|2,0,1]=4 182 B9R0.80 OC(=O)C(C(C)(C)C)(O)C 1P01DWVD [0,1,0,0,0,0|1,0,1]=3 183 B9R0.80 OC(=O)C(C(F)(C)C)(F)C 1P028NO3 [0,1,0,0,0,0|2,0,1]=4 184 B9R0.80 OC(=O)C(C(F)(F)C)(C)C 1P01C1L9 [0,1,0,0,0,0|2,0,1]=4 185 B9R0.80 OC(=O)C(C(F)(F)F)(O)C 1P000FKI [0,1,0,0,0,0|2,0,1]=4 186 B9R0.80 OC(=O)C(C(N)(C)C)(C)C 1P01AL5E [0,1,0,0,0,0|2,0,1]=4 187 B9R0.80 OC(=O)C(C(O)(C)C)(C)C 1P01C379 [0,1,0,0,0,0|1,0,2]=4 188 B9R0.80 OC(=O)C(S(=O)(=N)C)(C)C 1P0288AI [0,1,0,0,0,0|2,0,0]=3 189 B9R0.80 OC(=O)C(S(=O)(=O)C)(C)C 1P01AIFP [0,1,0,0,0,0|2,0,0]=3 190 B9R0.80 OC(=O)[C@@](C(F)(F)F)(O)C 1P003D29 [0,1,0,0,0,0|2,0,1]=4 191 B9R0.80 OC(=O)[C@](C(F)(F)F)(O)C 1P0032VS [0,1,0,0,0,0|2,0,1]=4 192 B9R1.106 O=C1CCC(=O)C1(C)C 1P00CMDZ [0,0,0,1,0,0|2,0,0]=3 193 B9R1.106 O=C1CCC(=O)C1(F)F 1P00HGQF [0,0,0,1,0,0|3,0,0]=4 194 B9R1.106 O=C1NCC(=O)C1(C)C 1P00H84H [0,0,0,1,0,0|2,0,0]=3 195 B9R1.106 O=C1NN=C(C1(C)O)C 1P028U7Z [0,0,0,1,0,0|2,0,0]=3 196 B9R1.106 O=C1OCC(=O)C1(C)C 1P00DVNX [0,0,0,1,0,0|1,0,0]=2 197 B9R1.106 O=C1ON=C(C1(C)C)N 1P01BSBF [0,0,0,1,0,0|3,0,0]=4 198 B9R1.106 OC1CCC(=O)C1(C)C 1P028EBF [0,0,0,1,0,0|2,0,1]=4 199 B9R1.165 OC(=O)C(C1CC1)(C)C 1P018SLW [0,0,0,1,0,0|2,0,1]=4 200 B9R1.165 OC(=O)C(C1CC1)(N)C 1P003HLP [0,0,0,1,0,0|2,0,1]=4 201 B9R1.165 OC(=O)C(C1CC1)(N)C 1P00IFYA [0,0,0,1,0,0|2,0,1]=4 202 B9R1.165 OC(=O)C(C1CC1)(O)C 1P01A38Y [0,0,0,1,0,0|1,0,1]=3 203 B9R1.168 CC(=O)C1(CC1)C(=O)C 1P00FEFH [0,0,0,1,0,0|2,0,0]=3 204 B9R1.168 CC(=O)C1(CC1)C(=O)O 1P00DIE3 [0,0,0,1,0,0|1,0,0]=2 205 B9R1.168 CC(C1(CC1)C(=O)O)C 1P019ZHH [0,0,0,1,0,0|2,0,1]=4 206 B9R1.168 CN(C1(CC1)C(=O)O)C 1P000IOS [0,0,0,1,0,0|3,0,0]=4 207 B9R1.168 NC(=O)C1(CC1)C(=O)O 1P003ENJ [0,0,0,1,0,0|2,0,0]=3 208 B9R1.169 OC(=O)C1(Br)CC1(C)C 1P028U3O [0,0,0,1,0,0|2,0,1]=4 209 B9R1.169 OC(=O)C1(C)CC1(C)C 1P029191 [0,0,0,1,0,0|2,0,1]=4 210 B9R1.169 OC(=O)C1(Cl)CC1(C)C 1P028WQS [0,0,0,1,0,0|2,0,1]=4 211 B9R1.169 OC(=O)C1(N)CC1(C)C 1P028LAI [0,0,0,1,0,0|2,0,1]=4 212 B9R1.169 OC(=O)C1(O)CC1(C)C 1P028OO3 [0,0,0,1,0,0|1,0,1]=3 213 B9R0.11 BrC(=C)CC(C(=O)O)(C)C 1P028M1K [0,0,0,0,0,1|2,0,1]=4 214 B9R0.11 CC(=O)CC(C(=O)O)(C)C 1P00DZW2 [0,0,0,0,0,1|1,0,0]=2 215 B9R0.11 CC(=O)NC(C(=O)O)(C)C 1P00DL9X [0,0,0,0,0,1|1,0,0]=2 216 B9R0.11 CC(=O)OC(C(=O)Br)(C)C 1P003GRB [0,0,0,0,0,1|2,0,0]=3 217 B9R0.11 CC(=O)OC(C(=O)Cl)(C)C 1P003EP7 [0,0,0,0,0,1|2,0,0]=3 218 B9R0.11 CC(=O)OC(C(=O)O)(C)C 1P01AG9J [0,0,0,0,0,1|1,0,0]=2 219 B9R0.11 CC(C(CC(=O)O)(C)C)N 1P0287TU [0,0,0,0,0,1|2,0,1]=4 220 B9R0.11 CC(CC(C(=O)O)(Br)C)C 1P028B2J [0,0,0,0,0,1|2,0,1]=4 221 B9R0.11 CC(CC(C(=O)O)(C)C)C 1P019ZBB [0,0,0,0,0,1|2,0,1]=4 222 B9R0.11 CC(CC(C(=O)O)(O)C)C 1P003HUB [0,0,0,0,0,1|1,0,1]=3 223 B9R0.11 CC(C[C@@](C(=O)O)(N)C)C 1P001J7Z [0,0,0,0,0,1|2,0,1]=4 224 B9R0.11 CC(C[C@](C(=O)O)(N)C)C 1P002ZBC [0,0,0,0,0,1|2,0,1]=4 225 B9R0.11 CC(OC(C(=O)O)(C)C)C 1P01APMS [0,0,0,0,0,1|2,0,1]=4 226 B9R0.11 CN(C(CC(=O)O)(C)C)C 1P0291U7 [0,0,0,0,0,1|3,0,0]=4 227 B9R0.11 CN(CC(C(=O)O)(C)C)C 1P01DW8O [0,0,0,0,0,1|3,0,0]=4 228 B9R0.11 CN(CC(C(=O)O)(C)C)C 1P01JN2R [0,0,0,0,0,1|3,0,0]=4 229 B9R0.11 CN(CC(C(=O)O)(N)C)C 1P00K4CF [0,0,0,0,0,1|3,0,0]=4 230 B9R0.11 FC(CC(C(=O)O)(O)C)F 1P028MX6 [0,0,0,0,0,1|2,0,1]=4 231 B9R0.11 OC(=O)CC(C(=O)C)(C)C 1P002NSR [0,0,0,0,0,1|1,0,0]=2 232 B9R0.11 OC(=O)CC(C(=O)O)(C)C 1P003FSH [0,0,0,0,0,1|2,0,0]=3 233 B9R0.11 OC(=O)CC(C(=O)O)(F)F 1P003FRN [0,0,0,0,0,1|3,0,0]=4 234 B9R0.11 OC(=O)CC(C(=O)O)(S)S 1P006XMQ [0,0,0,0,0,1|2,1,0]=4 235 B9R0.11 OC(=O)C[C@@](C(=O)O)(N)C 1P007K6T [0,0,0,0,0,1|2,0,0]=3 236 B9R0.11 OC(=O)C[C@](C(=O)O)(O)C 1P003PO5 [0,0,0,0,0,1|1,0,0]=2 237 B6R0.3 CC(=CC)C(=O)O 1P0010JQ [2,0,0,0,0,0|0,0,1]=3 238 B6R0.3 CC(=O)C(CO)O 1P01DWYU [2,0,0,0,0,0|0,0,1]=3 239 B6R0.3 CC(C(=C)C)CO 1P01BSQ5 [2,0,0,0,0,0|1,0,1]=4 240 B6R0.3 CC(C(=O)C)C#N 1P00DEQK [2,0,0,0,0,0|1,0,1]=4 241 B6R0.3 CC(C(=O)C)CO 1P003LYQ [2,0,0,0,0,0|0,0,1]=3 242 B6R0.3 CC(C(=O)N)CC 1P0082Z0 [2,0,0,0,0,0|1,0,1]=4 243 B6R0.3 CC(C(=O)N)NC 1P00C8TM [2,0,0,0,0,0|2,0,0]=4 244 B6R0.3 CC(C(=O)N)NC 1P01A4VK [2,0,0,0,0,0|2,0,0]=4 245 B6R0.3 CC(C(=O)N)OC 1P01AKMI [2,0,0,0,0,0|2,0,0]=4 246 B6R0.3 CC(C(=O)N)SC 1P028ALZ [2,0,0,0,0,0|2,0,0]=4 247 B6R0.3 CC(C(=O)O)C#N 1P00EBJM [2,0,0,0,0,0|1,0,1]=4 248 B6R0.3 CC(C(=O)O)C=C 1P00DA69 [2,0,0,0,0,0|0,0,1]=3 249 B6R0.3 CC(C(=O)O)CBr 1P00342O [2,0,0,0,0,0|1,0,1]=4 250 B6R0.3 CC(C(=O)O)CC 1P000BT8 [2,0,0,0,0,0|0,0,1]=3 251 B6R0.3 CC(C(=O)O)CF 1P01B7CT [2,0,0,0,0,0|1,0,1]=4 252 B6R0.3 CC(C(=O)O)CN 1P001J7M [2,0,0,0,0,0|1,0,1]=4 253 B6R0.3 CC(C(=O)O)CN 1P00381Y [2,0,0,0,0,0|1,0,1]=4 254 B6R0.3 CC(C(=O)O)CN 1P00C2SB [2,0,0,0,0,0|1,0,1]=4 255 B6R0.3 CC(C(=O)O)CS 1P002TTJ [2,0,0,0,0,0|0,1,1]=4 256 B6R0.3 CC(C(=O)O)NC 1P003BEG [2,0,0,0,0,0|1,0,0]=3 257 B6R0.3 CC(C(=O)O)NC 1P00CLMV [2,0,0,0,0,0|1,0,0]=3 258 B6R0.3 CC(C(=O)O)OC 1P0037PR [2,0,0,0,0,0|1,0,0]=3 259 B6R0.3 CC(C(=O)O)ON 1P003AZJ [2,0,0,0,0,0|2,0,0]=4 260 B6R0.3 CC(C(=O)O)SC 1P00EEEC [2,0,0,0,0,0|1,0,0]=3 261 B6R0.3 CC=C(C(=O)C)C 1P00EA6O [2,0,0,0,0,0|1,0,1]=4 262 B6R0.3 CC=C(C(=O)O)Cl 1P01HMWU [2,0,0,0,0,0|1,0,1]=4 263 B6R0.3 CCC(C(=O)C)C 1P0037NS [2,0,0,0,0,0|1,0,1]=4 264 B6R0.3 CCC(C(=O)N)O 1P01A5K5 [2,0,0,0,0,0|1,0,1]=4 265 B6R0.3 CCC(C(=O)O)Br 1P003720 [2,0,0,0,0,0|1,0,1]=4 266 B6R0.3 CCC(C(=O)O)Cl 1P003HIN [2,0,0,0,0,0|1,0,1]=4 267 B6R0.3 CCC(C(=O)O)O 1P003Q9H [2,0,0,0,0,0|0,0,1]=3 268 B6R0.3 CCC(C(=O)O)S 1P002TTI [2,0,0,0,0,0|0,1,1]=4 269 B6R0.3 CC[C@@H](C(=O)O)Br 1P00C7MK [2,0,0,0,0,0|1,0,1]=4 270 B6R0.3 CC[C@@H](C(=O)O)N 1P001LWU [2,0,0,0,0,0|1,0,1]=4 271 B6R0.3 CC[C@@H](C(=O)O)N 1P003REQ [2,0,0,0,0,0|1,0,1]=4 272 B6R0.3 CC[C@@H](C(=O)O)O 1P00382V [2,0,0,0,0,0|0,0,1]=3 273 B6R0.3 CC[C@@H](C(=O)O)S 1P00HI32 [2,0,0,0,0,0|0,1,1]=4 274 B6R0.3 CC[C@H](C(=O)O)Br 1P006UE3 [2,0,0,0,0,0|1,0,1]=4 275 B6R0.3 CC[C@H](C(=O)O)Cl 1P003CM0 [2,0,0,0,0,0|1,0,1]=4 276 B6R0.3 CC[C@H](C(=O)O)N 1P002SV0 [2,0,0,0,0,0|1,0,1]=4 277 B6R0.3 CC[C@H](C(=O)O)O 1P002D2A [2,0,0,0,0,0|0,0,1]=3 278 B6R0.3 CN(C(=O)C)C=C 1P003TOY [2,0,0,0,0,0|2,0,0]=4 279 B6R0.3 COC(C(=O)C)C 1P01A0W5 [2,0,0,0,0,0|2,0,0]=4 280 B6R0.3 C[C@@H](C(=O)N)NC 1P00J3DG [2,0,0,0,0,0|2,0,0]=4 281 B6R0.3 C[C@@H](C(=O)O)CC 1P0032VK [2,0,0,0,0,0|0,0,1]=3 282 B6R0.3 C[C@@H](C(=O)O)CN 1P00BI27 [2,0,0,0,0,0|1,0,1]=4 283 B6R0.3 C[C@@H](C(=O)O)NC 1P00I86T [2,0,0,0,0,0|1,0,0]=3 284 B6R0.3 C[C@@H](C(=O)O)OC 1P0039C4 [2,0,0,0,0,0|1,0,0]=3 285 B6R0.3 C[C@@H](C(=O)O)ON 1P01XFJR [2,0,0,0,0,0|2,0,0]=4 286 B6R0.3 C[C@H](C(=O)N)NC 1P00J3CW [2,0,0,0,0,0|2,0,0]=4 287 B6R0.3 C[C@H](C(=O)O)CC 1P0032WP [2,0,0,0,0,0|0,0,1]=3 288 B6R0.3 C[C@H](C(=O)O)CN 1P00CJ9Y [2,0,0,0,0,0|1,0,1]=4 289 B6R0.3 C[C@H](C(=O)O)CN 1P00H3B0 [2,0,0,0,0,0|1,0,1]=4 290 B6R0.3 C[C@H](C(=O)O)NC 1P002YZ5 [2,0,0,0,0,0|1,0,0]=3 291 B6R0.3 C[C@H](C(=O)O)OC 1P0032UO [2,0,0,0,0,0|1,0,0]=3 292 B6R0.3 C[C@H](C(=O)O)ON 1P01XFIY [2,0,0,0,0,0|2,0,0]=4 293 B6R0.3 C\C(=C/C)\C(=O)O 1P00365V [2,0,0,0,0,0|0,0,1]=3 294 B6R0.3 C\C(=C\C)\C(=O)O 1P00EARA [2,0,0,0,0,0|0,0,1]=3 295 B6R0.3 C\C(=N/O)\C(=O)C 1P00IAMV [2,0,0,0,0,0|1,0,1]=4 296 B6R0.3 C\C=C(\C(=O)C)/C 1P027W3W [2,0,0,0,0,0|1,0,1]=4 297 B6R0.3 NC(C(=O)O)C=C 1P003XPM [2,0,0,0,0,0|1,0,1]=4 298 B6R0.3 NCC(C(=O)O)O 1P00IAJH [2,0,0,0,0,0|1,0,1]=4 299 B6R0.3 NC[C@@H](C(=O)O)O 1P00IBMO [2,0,0,0,0,0|1,0,1]=4 300 B6R0.3 NC[C@H](C(=O)O)O 1P00IBMN [2,0,0,0,0,0|1,0,1]=4 301 B6R0.3 N[C@@H](C(=O)O)C=C 1P0097X9 [2,0,0,0,0,0|1,0,1]=4 302 B6R0.3 N[C@H](C(=O)O)C=C 1P003AKV [2,0,0,0,0,0|1,0,1]=4 303 B6R0.3 O=CC(C(=O)C)Br 1P008EEH [2,0,0,0,0,0|1,0,0]=3 304 B6R0.3 O=CC(C(C)C)C 1P002LJ1 [2,0,0,0,0,0|1,0,1]=4 305 B6R0.3 OC(=O)C(C=C)Cl 1P01B91R [2,0,0,0,0,0|1,0,1]=4 306 B6R0.3 OC(C(=O)O)C#C 1P003HUH [2,0,0,0,0,0|0,0,2]=4 307 B6R0.3 OC(C(=O)O)C=C 1P00F3FZ [2,0,0,0,0,0|0,0,1]=3 308 B6R0.3 OC(C(=O)O)CBr 1P00CRVV [2,0,0,0,0,0|1,0,1]=4 309 B6R0.3 OC(C(=O)O)CCl 1P00369Z [2,0,0,0,0,0|1,0,1]=4 310 B6R0.3 OCC(C(=O)O)C 1P002J5U [2,0,0,0,0,0|0,0,2]=4 311 B6R0.3 OCC(C(=O)O)O 1P003P4H [2,0,0,0,0,0|0,0,2]=4 312 B6R0.3 OCC(C(=O)O)O 1P003R8N [2,0,0,0,0,0|0,0,2]=4 313 B6R0.3 OCC(C(=O)[O-])O 1P024HGG [2,0,0,0,0,0|1,0,1]=4 314 B6R0.3 OC[C@H](C(=O)O)C 1P002FFU [2,0,0,0,0,0|0,0,2]=4 315 B6R0.3 O[C@@H](C(=O)O)CF 1P01DXE8 [2,0,0,0,0,0|1,0,1]=4 316 B6R0.3 O[C@H](C(=O)O)CF 1P01G9M1 [2,0,0,0,0,0|1,0,1]=4 317 B6R0.3 [O-]C(=O)C(CC)O 1P00DA6V [2,0,0,0,0,0|0,0,2]=4 318 B6R0.3 [O-]C(=O)C(CO)C 1P00HH01 [2,0,0,0,0,0|1,0,1]=4 319 B6R0.7 BrC(=O)C(Br)(C)C 1P002JOT [2,0,0,0,0,0|2,0,0]=4 320 B6R0.7 CC(=C)C(O)(C)C 1P007H43 [2,0,0,0,0,0|1,0,1]=4 321 B6R0.7 CC(=O)C(Br)(C)C 1P002TV2 [2,0,0,0,0,0|1,0,1]=4 322 B6R0.7 CC(=O)C(Cl)(C)C 1P00EDWH [2,0,0,0,0,0|1,0,1]=4 323 B6R0.7 CC(=O)C(Cl)(Cl)C 1P002TV6 [2,0,0,0,0,0|2,0,0]=4 324 B6R0.7 CC(=O)C(F)(C)C 1P01DW0X [2,0,0,0,0,0|1,0,1]=4 325 B6R0.7 CC(=O)C(F)(F)C 1P008JA8 [2,0,0,0,0,0|2,0,0]=4 326 B6R0.7 CC(=O)C(N)(C)C 1P0006SC [2,0,0,0,0,0|1,0,1]=4 327 B6R0.7 CC(=O)C(O)(C)C 1P000G0I [2,0,0,0,0,0|0,0,1]=3 328 B6R0.7 CC(C(O)(C)C)O 1P00E19W [2,0,0,0,0,0|1,0,1]=4 329 B6R0.7 C[C@@H](C(O)(C)C)O 1P01HMJM [2,0,0,0,0,0|1,0,1]=4 330 B6R0.7 C[C@H](C(O)(C)C)O 1P01EAR8 [2,0,0,0,0,0|1,0,1]=4 331 B6R0.7 ClC(=O)C(Br)(C)C 1P002A40 [2,0,0,0,0,0|2,0,0]=4 332 B6R0.7 ClC(=O)C(Cl)(C)C 1P0010VD [2,0,0,0,0,0|2,0,0]=4 333 B6R0.7 ClC(=O)C(F)(C)C 1P01UOTK [2,0,0,0,0,0|2,0,0]=4 334 B6R0.7 NC(=N)C(O)(C)C 1P00CZ51 [2,0,0,0,0,0|2,0,0]=4 335 B6R0.7 NC(=O)C(Br)(C)C 1P005B2L [2,0,0,0,0,0|2,0,0]=4 336 B6R0.7 NC(=O)C(C)(C)C 1P0035YI [2,0,0,0,0,0|2,0,0]=4 337 B6R0.7 NC(=O)C(Cl)(C)C 1P01A2I6 [2,0,0,0,0,0|2,0,0]=4 338 B6R0.7 NC(=O)C(N)(C)C 1P001TOY [2,0,0,0,0,0|2,0,0]=4 339 B6R0.7 NC(=O)C(N)(C)C 1P00AUNH [2,0,0,0,0,0|2,0,0]=4 340 B6R0.7 NC(=O)C(O)(C)C 1P000UO8 [2,0,0,0,0,0|1,0,0]=3 341 B6R0.7 OC(=O)C(Br)(C)C 1P002AEN [2,0,0,0,0,0|1,0,0]=3 342 B6R0.7 OC(=O)C(C)(C)C 1P0035YJ [2,0,0,0,0,0|1,0,0]=3 343 B6R0.7 OC(=O)C(Cl)(C)C 1P00EI2W [2,0,0,0,0,0|1,0,0]=3 344 B6R0.7 OC(=O)C(Cl)(Cl)C 1P003FRB [2,0,0,0,0,0|2,0,0]=4 345 B6R0.7 OC(=O)C(F)(C)C 1P00EBJZ [2,0,0,0,0,0|1,0,0]=3 346 B6R0.7 OC(=O)C(F)(F)C 1P0033DM [2,0,0,0,0,0|2,0,0]=4 347 B6R0.7 OC(=O)C(N)(C)C 1P003GTA [2,0,0,0,0,0|1,0,0]=3 348 B6R0.7 OC(=O)C(O)(C)C 1P00369V [2,0,0,0,0,0|0,0,0]=2 349 B6R0.7 OC(=O)C(S)(C)C 1P00DE8V [2,0,0,0,0,0|0,1,0]=3 350 B6R0.7 [O-]C(=O)C(C)(C)C 1P001QJO [2,0,0,0,0,0|1,0,1]=4 351 B6R0.7 [O-]C(=O)C(C)(C)C 1P00362K [2,0,0,0,0,0|1,0,1]=4 352 B6R0.7 [O-]C(=O)C(C)(C)C 1P003P88 [2,0,0,0,0,0|1,0,1]=4 353 B6R0.7 [O-]C(=O)C(C)(C)C 1P003TZZ [2,0,0,0,0,0|1,0,1]=4 354 B6R0.7 [O-]C(=O)C(C)(C)C 1P003UV1 [2,0,0,0,0,0|1,0,1]=4 355 B6R0.7 [O-]C(=O)C(C)(C)C 1P00AN4U [2,0,0,0,0,0|1,0,1]=4 356 B6R0.7 [O-]C(=O)C(C)(C)C 1P01XD1A [2,0,0,0,0,0|1,0,1]=4 357 B6R0.8 CC(C=C)(CC)O 1P003K5G [2,0,0,0,0,0|1,0,1]=4 358 B6R0.8 CCC(C=O)(C)C 1P002KOZ [2,0,0,0,0,0|1,0,1]=4 359 B6R0.8 CCC(CO)(O)C 1P00C6Q5 [2,0,0,0,0,0|0,0,2]=4 360 B6R0.8 COC(C=O)(C)C 1P007BU5 [2,0,0,0,0,0|2,0,0]=4 361 B6R0.8 CSC(C=O)(C)C 1P00B5RZ [2,0,0,0,0,0|2,0,0]=4 362 B6R0.8 OCC(C=O)(C)C 1P0037VS [2,0,0,0,0,0|1,0,1]=4 363 B6R0.2 BrC(=C)CC(=O)O 1P028J9X [2,0,0,0,0,0|1,0,1]=4 364 B6R0.2 CC(=C)CC(=O)C 1P00CLKE [2,0,0,0,0,0|2,0,0]=4 365 B6R0.2 CC(=C)CC(=O)O 1P001WA5 [2,0,0,0,0,0|1,0,0]=3 366 B6R0.2 CC(=CC(=O)C)O 1P001CNO [2,0,0,0,0,0|1,0,1]=4 367 B6R0.2 CC(=CC(=O)O)C 1P0033YA [2,0,0,0,0,0|1,0,1]=4 368 B6R0.2 CC(=CC(=O)O)Cl 1P00DGVA [2,0,0,0,0,0|1,0,1]=4 369 B6R0.2 CC(=CC(=O)O)I 1P01JX6Y [2,0,0,0,0,0|1,0,1]=4 370 B6R0.2 CC(=O)CC(=O)C 1P000KDQ [2,0,0,0,0,0|1,0,0]=3 371 B6R0.2 CC(=O)CC(=O)C 1P003VUE [2,0,0,0,0,0|1,0,0]=3 372 B6R0.2 CC(=O)CC(=O)N 1P0034W3 [2,0,0,0,0,0|1,0,0]=3 373 B6R0.2 CC(=O)NC(=O)C 1P00355U [2,0,0,0,0,0|2,0,0]=4 374 B6R0.2 CC(=O)NC(=O)N 1P003O4P [2,0,0,0,0,0|2,0,0]=4 375 B6R0.2 CC(=O)SC(=O)C 1P003O4E [2,0,0,0,0,0|2,0,0]=4 376 B6R0.2 CC(=O)[C-]C(=O)C 1P00236S [2,0,0,0,0,0|1,0,1]=4 377 B6R0.2 CC(=O)[CH-]C(=O)C 1P0016VZ [2,0,0,0,0,0|1,0,1]=4 378 B6R0.2 CC(=O)[CH-]C(=O)C 1P003OFD [2,0,0,0,0,0|1,0,1]=4 379 B6R0.2 CC(=O)[CH-]C(=O)C 1P003OGH [2,0,0,0,0,0|1,0,1]=4 380 B6R0.2 CC(=O)[CH-]C(=O)C 1P003UNO [2,0,0,0,0,0|1,0,1]=4 381 B6R0.2 CC(=O)[CH-]C(=O)C 1P00AQOO [2,0,0,0,0,0|1,0,1]=4 382 B6R0.2 CC(=O)[CH-]C(=O)C 1P00HU8W [2,0,0,0,0,0|1,0,1]=4 383 B6R0.2 CC(=O)[CH-]C(=O)C 1P00HW92 [2,0,0,0,0,0|1,0,1]=4 384 B6R0.2 CC(=O)[CH-]C(=O)C 1P00HYD8 [2,0,0,0,0,0|1,0,1]=4 385 B6R0.2 CC(=O)[CH-]C(=O)C 1P00IKXP [2,0,0,0,0,0|1,0,1]=4 386 B6R0.2 CC(CC(=O)C)O 1P00723Y [2,0,0,0,0,0|1,0,1]=4 387 B6R0.2 CC(CC(=O)O)Br 1P002SV2 [2,0,0,0,0,0|1,0,1]=4 388 B6R0.2 CC(CC(=O)O)C 1P003RMG [2,0,0,0,0,0|1,0,1]=4 389 B6R0.2 CC(CC(=O)O)Cl 1P003JRA [2,0,0,0,0,0|1,0,1]=4 390 B6R0.2 CC(CC(=O)O)F 1P028OF4 [2,0,0,0,0,0|1,0,1]=4 391 B6R0.2 CC(CC(=O)O)N 1P003JE2 [2,0,0,0,0,0|1,0,1]=4 392 B6R0.2 CC(CC(=O)O)O 1P003K12 [2,0,0,0,0,0|0,0,2]=4 393 B6R0.2 CC(CC(=O)O)S 1P002TTH [2,0,0,0,0,0|0,1,1]=4 394 B6R0.2 CN(CC(=O)O)C 1P002QBC [2,0,0,0,0,0|2,0,0]=4 395 B6R0.2 CN(CC(=O)O)C 1P003T1T [2,0,0,0,0,0|2,0,0]=4 396 B6R0.2 CS(=O)CC(=O)N 1P028O27 [2,0,0,0,0,0|2,0,0]=4 397 B6R0.2 C[C@@H](CC(=O)O)F 1P028OKF [2,0,0,0,0,0|1,0,1]=4 398 B6R0.2 C[C@@H](CC(=O)O)N 1P0036AK [2,0,0,0,0,0|1,0,1]=4 399 B6R0.2 C[C@@H](CC(=O)O)N 1P00IAVS [2,0,0,0,0,0|1,0,1]=4 400 B6R0.2 C[C@@H](CC(=O)O)O 1P003ANQ [2,0,0,0,0,0|0,0,2]=4 401 B6R0.2 C[C@H](CC(=O)O)N 1P003CQA [2,0,0,0,0,0|1,0,1]=4 402 B6R0.2 C[C@H](CC(=O)O)N 1P00EB6J [2,0,0,0,0,0|1,0,1]=4 403 B6R0.2 C\C(=C/C(=O)C)\O 1P003CFY [2,0,0,0,0,0|1,0,1]=4 404 B6R0.2 C\C(=C\C(=O)O)\I 1P00CS58 [2,0,0,0,0,0|1,0,1]=4 405 B6R0.2 ClC(=O)CC(=O)Cl 1P001X31 [2,0,0,0,0,0|2,0,0]=4 406 B6R0.2 IC(=C)CC(=O)O 1P028XTD [2,0,0,0,0,0|1,0,1]=4 407 B6R0.2 NC(=O)CC(=O)N 1P0035L2 [2,0,0,0,0,0|2,0,0]=4 408 B6R0.2 NC(=O)CC(=O)O 1P002NQP [2,0,0,0,0,0|1,0,0]=3 409 B6R0.2 [O-]C(=O)CC(=O)C 1P003B7E [2,0,0,0,0,0|0,0,1]=3 410 B6R0.2 [O-]C(=O)CC(=O)C 1P003RRI [2,0,0,0,0,0|0,0,1]=3 411 B6R0.2 [O-]C(=O)CC(=O)N 1P028GWT [2,0,0,0,0,0|1,0,1]=4 412 B6R0.2 [O-]C(=O)CC(=O)[O-] 1P000VMG [2,0,0,0,0,0|1,0,1]=4 413 B6R0.2 [O-]C(=O)CC(=O)[O-] 1P001G81 [2,0,0,0,0,0|1,0,1]=4 414 B6R0.2 [O-]C(=O)CC(=O)[O-] 1P002U04 [2,0,0,0,0,0|1,0,1]=4 415 B6R0.2 [O-][N+](=O)CC(=O)C 1P0007M7 [2,0,0,0,0,0|1,0,1]=4 416 B8R0.12 C=CCC(C(=O)O)(C)C 1P001UWT [1,1,0,0,0,0|1,0,1]=4 417 B8R0.12 CC(C(=O)O)(CC=C)O 1P028WBJ [1,1,0,0,0,0|0,0,1]=3 418 B8R0.12 CC(C(=O)O)(CCC)O 1P01A1QH [1,1,0,0,0,0|0,0,1]=3 419 B8R0.12 CC(C(=O)O)(CCF)N 1P01B5JN [1,1,0,0,0,0|1,0,1]=4 420 B8R0.12 CC(C(=O)O)(CCN)O 1P028UT9 [1,1,0,0,0,0|0,0,1]=3 421 B8R0.12 CC(C(=O)O)(COC)N 1P019YQ9 [1,1,0,0,0,0|1,0,1]=4 422 B8R0.12 CC(C(=O)O)(COC)O 1P006K4W [1,1,0,0,0,0|0,0,1]=3 423 B8R0.12 CCCC(C(=O)O)(C)C 1P003FSK [1,1,0,0,0,0|1,0,1]=4 424 B8R0.12 CCNC(C(=O)O)(C)C 1P01AA4Q [1,1,0,0,0,0|1,0,1]=4 425 B8R0.12 CCOC(C(=O)O)(C)C 1P001MPD [1,1,0,0,0,0|1,0,1]=4 426 B8R0.12 CNCC(C(=O)O)(C)C 1P01ADGN [1,1,0,0,0,0|1,0,1]=4 427 B8R0.12 COCC(C(=O)O)(C)C 1P00EE90 [1,1,0,0,0,0|1,0,1]=4 428 B8R0.12 CSCC(C(=O)O)(C)C 1P01BEUV [1,1,0,0,0,0|1,0,1]=4 429 B8R0.12 CSSC(C(=O)O)(C)C 1P027UVR [1,1,0,0,0,0|2,0,0]=4 430 B8R0.12 C[C@@](C(=O)O)(CC=C)N 1P003CVZ [1,1,0,0,0,0|1,0,1]=4 431 B8R0.12 C[C@@](C(=O)O)(CCC)N 1P002T25 [1,1,0,0,0,0|1,0,1]=4 432 B8R0.12 C[C@](C(=O)O)(CC=C)N 1P003CMX [1,1,0,0,0,0|1,0,1]=4 433 B8R0.12 ClCCC(C(=O)O)(C)C 1P0283XM [1,1,0,0,0,0|1,0,1]=4 434 B8R0.12 FCCC(C(=O)O)(C)C 1P028ZTW [1,1,0,0,0,0|1,0,1]=4 435 B8R0.12 NCCC(C(=O)O)(C)C 1P00HYKA [1,1,0,0,0,0|1,0,1]=4 436 B8R0.12 [O-]C(=O)C(CCO)(O)C 1P028DBI [1,1,0,0,0,0|0,0,2]=4 437 B8R0.13 CC(C(=O)OC)(C#C)O 1P028ZQD [1,1,0,0,0,0|0,0,2]=4 438 B8R0.13 CC(C(=O)OC)(CCl)O 1P01AK7M [1,1,0,0,0,0|1,0,1]=4 439 B8R0.13 CC(C(=O)OC)(CN)O 1P01AC9C [1,1,0,0,0,0|1,0,1]=4 440 B8R0.13 CC(C(=O)OC)(CO)N 1P01C237 [1,1,0,0,0,0|1,0,1]=4 441 B8R0.13 CCC(=O)C(C=O)(C)C 1P0033DO [1,1,0,0,0,0|1,0,0]=3 442 B8R0.13 COC(=O)C(C=O)(C)C 1P007M66 [1,1,0,0,0,0|1,0,0]=3 443 B8R0.13 COC(=O)C(CC)(C)C 1P00GQ76 [1,1,0,0,0,0|1,0,1]=4 444 B8R0.13 COC(=O)C(CC)(N)C 1P00IEV3 [1,1,0,0,0,0|1,0,1]=4 445 B8R0.13 COC(=O)C(NC)(C)C 1P01AA7M [1,1,0,0,0,0|2,0,0]=4 446 B8R0.13 COC(=O)C(OC)(C)C 1P0026MT [1,1,0,0,0,0|2,0,0]=4 447 B8R0.13 COC(=O)[C@@](CC)(N)C 1P008SPG [1,1,0,0,0,0|1,0,1]=4 448 B8R0.13 COC(=O)[C@](CC)(N)C 1P001OXV [1,1,0,0,0,0|1,0,1]=4 449 B8R0.13 OCC(C(=O)OC)(C)C 1P003S1X [1,1,0,0,0,0|1,0,1]=4 450 B8R0.17 O=CC(S(=O)(=O)C)(C)C 1P01A1PA [1,1,0,0,0,0|2,0,0]=4 451 B8R0.36 CC(C(=O)O)(C#N)CC 1P01AETH [1,1,0,0,0,0|1,0,1]=4 452 B8R0.36 CC(C(=O)O)(C=C)CC 1P019TW0 [1,1,0,0,0,0|1,0,1]=4 453 B8R0.36 CCC(C(=O)O)(CC)C 1P002C8Q [1,1,0,0,0,0|1,0,1]=4 454 B8R0.36 CCC(C(=O)O)(CC)F 1P00D20T [1,1,0,0,0,0|1,0,1]=4 455 B8R0.36 CCC(C(=O)O)(CC)N 1P00BDXI [1,1,0,0,0,0|1,0,1]=4 456 B8R0.36 CCC(C(=O)O)(CC)N 1P00IHLA [1,1,0,0,0,0|1,0,1]=4 457 B8R0.36 CCC(C(=O)O)(CC)O 1P003HNI [1,1,0,0,0,0|0,0,1]=3 458 B8R0.36 CCC(C(=O)O)(CO)C 1P01C2FD [1,1,0,0,0,0|0,0,1]=3 459 B8R0.36 CCC(C(=O)O)(C[NH3+])C 1P024KKX [1,1,0,0,0,0|1,0,1]=4 460 B8R0.36 CCC(C(=O)O)(NC)C 1P028HMD [1,1,0,0,0,0|1,0,1]=4 461 B8R0.36 COC(C(=O)C)(OC)C 1P003BRB [1,1,0,0,0,0|2,0,0]=4 462 B8R0.36 COC(C(=O)O)(CO)C 1P028HJP [1,1,0,0,0,0|1,0,0]=3 463 B8R0.36 OCC(C(=O)O)(CO)C 1P0033DE [1,1,0,0,0,0|0,0,2]=4 464 B8R0.2 C=CC(C(C(=O)O)C)C 1P01A705 [1,1,0,0,0,0|1,0,1]=4 465 B8R0.2 CC(C(=O)Cl)C(=O)OC 1P002MXC [1,1,0,0,0,0|1,0,0]=3 466 B8R0.2 CC(C(=O)N)C(=O)OC 1P01EM5R [1,1,0,0,0,0|1,0,0]=3 467 B8R0.2 CCC(C(C(=O)O)C)C 1P01A5ZZ [1,1,0,0,0,0|1,0,1]=4 468 B8R0.2 CCC(C(C(=O)O)C)O 1P002XFO [1,1,0,0,0,0|0,0,2]=4 469 B8R0.2 CCC(C(C(=O)O)O)C 1P00DK4X [1,1,0,0,0,0|1,0,1]=4 470 B8R0.2 CCN(C(C(=O)O)C)C 1P0099M0 [1,1,0,0,0,0|2,0,0]=4 471 B8R0.2 CC[C@@H]([C@@H](C(=O)O)O)C 1P00DCO0 [1,1,0,0,0,0|1,0,1]=4 472 B8R0.2 CC[C@@H]([C@H](C(=O)O)C)O 1P00558N [1,1,0,0,0,0|0,0,2]=4 473 B8R0.2 CC[C@@H]([C@H](C(=O)O)O)C 1P00657R [1,1,0,0,0,0|1,0,1]=4 474 B8R0.2 CC[C@H]([C@@H](C(=O)O)C)O 1P024QSQ [1,1,0,0,0,0|0,0,2]=4 475 B8R0.2 CC[C@H]([C@H](C(=O)O)O)C 1P004MDO [1,1,0,0,0,0|1,0,1]=4 476 B8R0.2 CNC(=O)C(C(=O)C)Cl 1P00C7VF [1,1,0,0,0,0|2,0,0]=4 477 B8R0.2 COC(=O)C(C(=C)C)Cl 1P01CATX [1,1,0,0,0,0|2,0,0]=4 478 B8R0.2 COC(=O)C(C(=O)C)Br 1P00CPEY [1,1,0,0,0,0|1,0,0]=3 479 B8R0.2 COC(=O)C(C(=O)C)C 1P00AC1F [1,1,0,0,0,0|0,0,0]=2 480 B8R0.2 COC(=O)C(C(=O)C)Cl 1P003S45 [1,1,0,0,0,0|1,0,0]=3 481 B8R0.2 COC(=O)C(C(=O)Cl)Cl 1P01BJJN [1,1,0,0,0,0|2,0,0]=4 482 B8R0.2 COC(=O)C(C(Br)C)C 1P028HWU [1,1,0,0,0,0|1,0,1]=4 483 B8R0.2 COC(=O)C(C(C)C)C 1P00BRKO [1,1,0,0,0,0|1,0,1]=4 484 B8R0.2 COC(=O)C(C(C)C)O 1P00ASJS [1,1,0,0,0,0|1,0,1]=4 485 B8R0.2 COC(=O)C(C(N)C)C 1P028IZG [1,1,0,0,0,0|1,0,1]=4 486 B8R0.2 COC(=O)C(C(N)C)O 1P0293P7 [1,1,0,0,0,0|1,0,1]=4 487 B8R0.2 COC(=O)C(C(O)C)C 1P01A2D6 [1,1,0,0,0,0|0,0,2]=4 488 B8R0.2 COC(=O)C(C(S)C)C 1P01DTBF [1,1,0,0,0,0|0,1,1]=4 489 B8R0.2 COC(=O)[C@@H](C(C)C)O 1P00H1EQ [1,1,0,0,0,0|1,0,1]=4 490 B8R0.2 COC(=O)[C@H](C(C)C)O 1P00BGG4 [1,1,0,0,0,0|1,0,1]=4 491 B8R0.2 COC(C(C(=O)O)O)C 1P01ALTB [1,1,0,0,0,0|0,0,2]=4 492 B8R0.2 CO[C@@H]([C@@H](C(=O)O)O)C 1P0289VW [1,1,0,0,0,0|0,0,2]=4 493 B8R0.2 CSC(C(C(=O)O)O)C 1P004FYP [1,1,0,0,0,0|0,1,1]=4 494 B8R0.2 [O-]C(=O)C(C(=O)OC)C 1P00329I [1,1,0,0,0,0|0,0,1]=3 495 B8R0.2 [O-][N+](=O)C(C(=O)OC)C 1P00F3QC [1,1,0,0,0,0|1,0,1]=4 496 B8R0.18 CCC(C(=O)C)C(=O)C 1P003JUW [1,1,0,0,0,0|1,0,0]=3 497 B8R0.18 CCC(C(=O)Cl)C(=O)Cl 1P028JPQ [1,1,0,0,0,0|2,0,0]=4 498 B8R0.18 CCC(C(=O)N)C(=O)N 1P00EUF0 [1,1,0,0,0,0|2,0,0]=4 499 B8R0.18 CCC(C(=O)O)C(=O)O 1P0033RI [1,1,0,0,0,0|1,0,0]=3 500 B8R0.18 CCC(C(=O)O)C(C)C 1P007GLY [1,1,0,0,0,0|1,0,1]=4 501 B8R0.18 CCC(C(=O)O)C(N)C 1P005AOA [1,1,0,0,0,0|1,0,1]=4 502 B8R0.18 CCC(C(=O)O)C(O)C 1P01BD6X [1,1,0,0,0,0|0,0,2]=4 503 B8R0.18 CCC(C(=O)O)N(C)C 1P00ADAP [1,1,0,0,0,0|2,0,0]=4 504 B8R0.18 CCC(C(=O)O)N(C)C 1P01A0XX [1,1,0,0,0,0|2,0,0]=4 505 B8R0.18 CC[C@@H](C(=O)O)N(C)C 1P01AMTH [1,1,0,0,0,0|2,0,0]=4 506 B8R0.18 CC[C@H](C(=O)O)N(C)C 1P01BVYP [1,1,0,0,0,0|2,0,0]=4 507 B8R0.18 CNC(C(=O)O)C(C)C 1P00BHN8 [1,1,0,0,0,0|1,0,1]=4 508 B8R0.18 CN[C@@H](C(=O)O)C(C)C 1P002LGR [1,1,0,0,0,0|1,0,1]=4 509 B8R0.18 CN[C@@H](C(=O)O)C(C)C 1P008AIF [1,1,0,0,0,0|1,0,1]=4 510 B8R0.18 CN[C@H](C(=O)O)C(C)C 1P002E53 [1,1,0,0,0,0|1,0,1]=4 511 B8R0.18 CN[C@H](C(=O)O)C(C)C 1P002PY4 [1,1,0,0,0,0|1,0,1]=4 512 B8R0.18 CN[C@H](C(=O)O)[C@H](O)C 1P007LTC [1,1,0,0,0,0|0,0,2]=4 513 B8R0.18 COC(C(=O)C)C(=O)C 1P002SRD [1,1,0,0,0,0|1,0,0]=3 514 B8R0.18 COC(C(=O)O)C(C)C 1P01ADGT [1,1,0,0,0,0|1,0,1]=4 515 B8R0.18 CON(C(=O)C)C(=O)C 1P000YLQ [1,1,0,0,0,0|2,0,0]=4 516 B8R0.18 CO[C@H](C(=O)O)C(C)C 1P01ISI9 [1,1,0,0,0,0|1,0,1]=4 517 B8R0.18 CSC(C(=O)O)C(C)C 1P01DWZ6 [1,1,0,0,0,0|1,0,1]=4 518 B8R0.18 NCC(C(=O)O)C(C)C 1P019Q9C [1,1,0,0,0,0|1,0,1]=4 519 B8R0.18 NC[C@@H](C(=O)O)C(C)C 1P0029LI [1,1,0,0,0,0|1,0,1]=4 520 B8R0.18 NC[C@@H](C(=O)O)C(C)C 1P003D15 [1,1,0,0,0,0|1,0,1]=4 521 B8R0.18 NC[C@@H](C(=O)O)N(C)C 1P028YDN [1,1,0,0,0,0|2,0,0]=4 522 B8R0.18 NC[C@H](C(=O)O)C(C)C 1P000XNY [1,1,0,0,0,0|1,0,1]=4 523 B8R0.18 NC[C@H](C(=O)O)C(C)C 1P002L6O [1,1,0,0,0,0|1,0,1]=4 524 B8R0.18 NOC(C(=O)O)C(C)C 1P01BA8Z [1,1,0,0,0,0|1,0,1]=4 525 B8R0.18 O=CC(C(=O)C)C(=O)C 1P0201Z1 [1,1,0,0,0,0|1,0,1]=4 526 B8R0.18 OCC(C(=O)O)C(C)C 1P01AFU5 [1,1,0,0,0,0|1,0,1]=4 527 B8R0.18 OC[C@@H](C(=O)O)N(C)C 1P007LT9 [1,1,0,0,0,0|2,0,0]=4 528 B8R0.18 OC[C@H](C(=O)O)N(C)C 1P000TEL [1,1,0,0,0,0|2,0,0]=4 529 B8R0.18 ON=C(C(=O)C)C(=O)C 1P00C2EE [1,1,0,0,0,0|1,0,1]=4 530 B8R0.18 ONC(C(=O)O)C(C)C 1P028H16 [1,1,0,0,0,0|1,0,1]=4 531 B8R0.27 CC(=O)C(S(=O)(=O)C)C 1P01DX6M [1,1,0,0,0,0|1,0,1]=4 532 B8R0.27 CC(C(C)(C)C)C(=O)O 1P002CDO [1,1,0,0,0,0|1,0,1]=4 533 B8R0.27 CC(C(F)(F)C)C(=O)O 1P01AMTQ [1,1,0,0,0,0|1,0,1]=4 534 B8R0.27 C[C@@H](C(C)(C)C)C(=O)O 1P001535 [1,1,0,0,0,0|1,0,1]=4 535 B8R0.27 C[C@H](C(C)(C)C)C(=O)O 1P028P1F [1,1,0,0,0,0|1,0,1]=4 536 B8R0.27 OC(=O)C(C(O)(C)C)O 1P0021IY [1,1,0,0,0,0|0,0,2]=4 537 B8R0.27 OC(=O)C(P(=O)(C)C)C 1P028O0L [1,1,0,0,0,0|1,0,0]=3 538 B8R0.27 OC(=O)C(P(=O)(O)O)O 1P0035H0 [1,1,0,0,0,0|2,0,0]=4 539 B8R0.27 OC(=O)C(S(=O)(=O)C)C 1P019NLK [1,1,0,0,0,0|1,0,0]=3 540 B8R0.27 OC(=O)C(S(=O)(=O)N)C 1P01A6VM [1,1,0,0,0,0|2,0,0]=4 541 B8R0.27 OC(=O)C(S(=O)(=O)O)C 1P01B2HZ [1,1,0,0,0,0|2,0,0]=4 542 B8R0.27 OC(=O)[C@@H](C(O)(C)C)C 1P028OUK [1,1,0,0,0,0|0,0,2]=4 543 B8R0.27 OC(C(C)(C)C)C(=O)O 1P00D6E9 [1,1,0,0,0,0|1,0,1]=4 544 B8R0.27 O[C@@H](C(C)(C)C)C(=O)O 1P003CUB [1,1,0,0,0,0|1,0,1]=4 545 B8R0.27 O[C@H](C(C)(C)C)C(=O)O 1P0070AJ [1,1,0,0,0,0|1,0,1]=4 546 B10R0.47 BrCC(=O)NC(C(=O)N)(C)C 1P01A0H3 [0,1,0,0,0,1|2,0,0]=4 547 B10R0.47 C#CC(=O)NC(C(=O)O)(C)C 1P01DVL2 [0,1,0,0,0,1|1,0,1]=4 548 B10R0.47 C=CC(=O)NC(C(=O)O)(C)C 1P002Z3F [0,1,0,0,0,1|1,0,1]=4 549 B10R0.47 CNC(=O)NC(C(=O)O)(C)C 1P019X33 [0,1,0,0,0,1|1,0,0]=3 550 B10R0.47 COC(=O)CC(C(=O)O)(C)C 1P00DIFK [0,1,0,0,0,1|1,0,0]=3 551 B10R0.47 COC(=O)NC(C(=O)O)(C)C 1P00H5HW [0,1,0,0,0,1|1,0,0]=3 552 B10R0.117 CC(=O)N(C(C(=O)O)(C)C)C 1P0282P3 [0,1,0,0,0,1|1,0,0]=3 553 B10R0.117 OC(=O)C(C(C(=O)O)(C)C)O 1P002NJW [0,1,0,0,0,1|2,0,0]=4 554 B10R0.117 OC(=O)C(C(C(=O)O)(O)C)O 1P028RTM [0,1,0,0,0,1|1,0,0]=3 555 B10R0.119 CCC(C(=O)O)(CC(=O)O)C 1P00EBF8 [0,1,0,0,0,1|2,0,0]=4 556 B10R0.119 CCC(C(=O)O)(NC(=O)C)C 1P0297XP [0,1,0,0,0,1|1,0,0]=3 557 B10R0.119 NCC(C(=O)O)(CC(=O)O)C 1P00VW4V [0,1,0,0,0,1|2,0,0]=4 558 B10R0.141 BrCC(=O)C(CC(=O)O)(C)C 1P027Y0C [0,1,0,0,0,1|1,0,0]=3 559 B10R0.141 COC(=O)C(CC(=O)C)(C)C 1P01GYLF [0,1,0,0,0,1|1,0,0]=3 560 B10R0.141 COC(=O)C(CC(=O)O)(C)C 1P003M3D [0,1,0,0,0,1|1,0,0]=3 561 B10R0.141 COC(=O)C(CC(=O)O)(F)F 1P01DWW7 [0,1,0,0,0,1|2,0,0]=4 562 B10R0.141 COC(=O)C(CC(C)C)(O)C 1P028JZ0 [0,1,0,0,0,1|1,0,1]=4 563 B10R0.141 ON=C(C(NC(=O)C)(C)C)N 1P01AI7T [0,1,0,0,0,1|2,0,0]=4 564 B10R0.163 OC(=O)C(CS(=O)(=O)C)(C)C 1P018SMR [0,1,0,0,0,1|2,0,0]=4 565 B10R0.163 OC(=O)C(CS(=O)(=O)C)(N)C 1P02809D [0,1,0,0,0,1|2,0,0]=4 566 B10R0.163 OC(=O)C(NS(=O)(=O)C)(C)C 1P01ALGO [0,1,0,0,0,1|2,0,0]=4 567 B10R0.36 CCOC(=O)C(C(=O)C)(C)C 1P00EA7V [0,2,0,0,0,0|1,0,0]=3 568 B10R0.36 CCOC(=O)C(C(=O)C)(Cl)Cl 1P00EL0V [0,2,0,0,0,0|2,0,0]=4 569 B10R0.36 CCOC(=O)C(C(=O)C)(F)F 1P003QIR [0,2,0,0,0,0|2,0,0]=4 570 B10R0.36 CCOC(=O)C(C(=O)Cl)(C)C 1P00EBZT [0,2,0,0,0,0|2,0,0]=4 571 B10R0.36 CCOC(=O)C(C(=O)O)(C)C 1P003589 [0,2,0,0,0,0|1,0,0]=3 572 B10R0.36 [O-]C(=O)C(C(=O)OCC)(F)C 1P00034R [0,2,0,0,0,0|1,0,1]=4 573 B10R0.137 COC(=O)C(C(=O)C)(CC)O 1P0283SZ [0,2,0,0,0,0|0,0,0]=2 574 B10R0.137 COC(=O)C(C(=O)[O-])(CC)F 1P00034Q [0,2,0,0,0,0|1,0,1]=4 575 B10R0.142 BrCC(=O)C(C(=O)OC)(C)C 1P00508W [0,2,0,0,0,0|1,0,0]=3 576 B10R0.142 CCC(=O)C(C(=O)OC)(C)C 1P00I9US [0,2,0,0,0,0|1,0,0]=3 577 B10R0.142 COC(=O)C(C(=O)OC)(C)C 1P00IB6Z [0,2,0,0,0,0|1,0,0]=3 578 B10R0.142 COC(=O)C(C(=O)OC)(F)F 1P00C7WE [0,2,0,0,0,0|2,0,0]=4 579 B10R0.149 COCC(C(=O)O)(C(=O)O)C 1P01AD6S [0,2,0,0,0,0|1,0,0]=3 580 B10R0.159 CCC(C(=O)O)(C(=O)O)CC 1P019D74 [0,2,0,0,0,0|2,0,0]=4 581 B10R0.164 CC(C(C(=O)O)(C(=O)O)C)C 1P01C260 [0,2,0,0,0,0|1,0,1]=4 582 B8R1.19 O=C1CCCC1(C)O 1P01SJXH [1,0,0,1,0,0|1,0,1]=4 583 B8R1.19 O=C1COCC1(C)C 1P001QLN [1,0,0,1,0,0|1,0,1]=4 584 B8R1.19 O=C1OCCC1(C)C 1P003O8D [1,0,0,1,0,0|1,0,1]=4 585 B8R1.19 O=C1OCCC1(C)N 1P01BCLL [1,0,0,1,0,0|1,0,1]=4 586 B8R1.24 OC1CC(=O)C1(C)C 1P01A5IQ [1,0,0,1,0,0|1,0,1]=4 587 B8R1.30 C[C@@H]1C[C@@]1(F)C(=O)O 1P028ZKJ [1,0,0,1,0,0|1,0,1]=4 588 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O 1P028UQQ [1,0,0,1,0,0|1,0,1]=4 589 B8R1.30 C[C@@]1(C[C@@H]1C)C(=O)O 1P028YCV [1,0,0,1,0,0|1,0,1]=4 590 B8R1.30 C[C@H]1C[C@]1(F)C(=O)O 1P0290MU [1,0,0,1,0,0|1,0,1]=4 591 B8R1.30 C[C@]1(C[C@H]1C)C(=O)O 1P01C7Q5 [1,0,0,1,0,0|1,0,1]=4 592 B8R1.58 CC1(CO)CCC1=O 1P0289LZ [1,0,0,1,0,0|1,0,1]=4 593 B8R1.63 C=CC1(CC1)C(=O)O 1P019TWP [1,0,0,1,0,0|1,0,1]=4 594 B8R1.63 CCC1(CC1)C(=O)O 1P001NCT [1,0,0,1,0,0|1,0,1]=4 595 B8R1.63 CNC1(CC1)C(=O)O 1P00IKQ5 [1,0,0,1,0,0|2,0,0]=4 596 B8R1.63 CNC1(CC1)C(=O)O 1P01FIX7 [1,0,0,1,0,0|2,0,0]=4 597 B8R1.63 COC1(CC1)C(=O)O 1P00032L [1,0,0,1,0,0|2,0,0]=4 598 B8R1.63 CSC1(CC1)C(=O)O 1P01AGGF [1,0,0,1,0,0|2,0,0]=4 599 B8R1.63 O=CC1(CC1)C(=O)O 1P008CD2 [1,0,0,1,0,0|1,0,0]=3 600 B8R1.78 CC(=O)C1(C)COC1 1P009KAC [1,0,0,1,0,0|1,0,1]=4 601 B8R1.78 CC1(CCN1)C(=O)O 1P028UEG [1,0,0,1,0,0|1,0,1]=4 602 B8R1.78 CC1(CCO1)C(=O)O 1P01KX41 [1,0,0,1,0,0|0,0,1]=3 603 B8R1.78 C[C@@]1(CCO1)C(=O)O 1P0203Q9 [1,0,0,1,0,0|0,0,1]=3 604 B8R1.78 C[C@]1(CCO1)C(=O)O 1P0203LI [1,0,0,1,0,0|0,0,1]=3 605 B8R1.78 NC(=O)C1(O)CCC1 1P01A4Y5 [1,0,0,1,0,0|1,0,1]=4 606 B8R1.78 NC(=O)C1(O)COC1 1P0281U8 [1,0,0,1,0,0|1,0,1]=4 607 B8R1.78 OC(=O)C1(Br)CCC1 1P00C7EB [1,0,0,1,0,0|1,0,1]=4 608 B8R1.78 OC(=O)C1(C)CCC1 1P007IUU [1,0,0,1,0,0|1,0,1]=4 609 B8R1.78 OC(=O)C1(Cl)CCC1 1P01BDEN [1,0,0,1,0,0|1,0,1]=4 610 B8R1.78 OC(=O)C1(F)CCC1 1P00I4A0 [1,0,0,1,0,0|1,0,1]=4 611 B8R1.78 OC(=O)C1(N)CCC1 1P003757 [1,0,0,1,0,0|1,0,1]=4 612 B8R1.78 OC(=O)C1(N)CCC1 1P00I4UH [1,0,0,1,0,0|1,0,1]=4 613 B8R1.78 OC(=O)C1(O)CCC1 1P00738E [1,0,0,1,0,0|0,0,1]=3 614 B8R1.78 OC(=O)C1(O)CNC1 1P00ICKH [1,0,0,1,0,0|1,0,1]=4 615 B8R1.78 OC(=O)C1(O)CNC1 1P01B7WX [1,0,0,1,0,0|1,0,1]=4 616 B8R1.78 OC(=O)C1(O)COC1 1P001L0J [1,0,0,1,0,0|0,0,2]=4 617 B8R1.78 [O-]C(=O)C1(C)CCO1 1P028DOZ [1,0,0,1,0,0|0,0,2]=4 618 B8R1.78 [O-]C(=O)C1(O)COC1 1P0282Z6 [1,0,0,1,0,0|1,0,1]=4 619 B8R1.31 CC1CCC1C(=O)O 1P0037P5 [1,0,0,1,0,0|1,0,1]=4 620 B8R1.31 CC1NCC1C(=O)O 1P00HZI9 [1,0,0,1,0,0|1,0,1]=4 621 B8R1.31 CN1CCC1C(=O)O 1P01DYNI [1,0,0,1,0,0|2,0,0]=4 622 B8R1.31 CN1CC[C@@H]1C(=O)O 1P00I5CE [1,0,0,1,0,0|2,0,0]=4 623 B8R1.31 CN1CC[C@H]1C(=O)O 1P00I5CC [1,0,0,1,0,0|2,0,0]=4 624 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O 1P027KVO [1,0,0,1,0,0|1,0,1]=4 625 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O 1P0023NG [1,0,0,1,0,0|1,0,1]=4 626 B8R1.31 N[C@H]1CC[C@H]1C(=O)O 1P00IL5S [1,0,0,1,0,0|1,0,1]=4 627 B8R1.31 OC(=O)C1=C(CC1)Cl 1P028NUC [1,0,0,1,0,0|1,0,1]=4 628 B8R1.31 OC(=O)C1CCC1F 1P01BAOK [1,0,0,1,0,0|1,0,1]=4 629 B8R1.31 OC(=O)[C@@H]1CC[C@@H]1F 1P0289HT [1,0,0,1,0,0|1,0,1]=4 630 B8R1.31 O[C@H]1CC[C@@H]1C(=O)O 1P01X055 [1,0,0,1,0,0|0,0,2]=4 631 B8R1.50 BrC1=C(C)C(=O)OC1 1P01DJBD [1,0,0,1,0,0|1,0,1]=4 632 B8R1.50 BrC1C(=O)CCC1=O 1P001I25 [1,0,0,1,0,0|2,0,0]=4 633 B8R1.50 CC1=C(O)C(=O)OC1 1P007OXZ [1,0,0,1,0,0|1,0,1]=4 634 B8R1.50 CC1C(=O)CCC1=O 1P0033UH [1,0,0,1,0,0|1,0,0]=3 635 B8R1.50 CC1C(=O)COC1=O 1P009RIB [1,0,0,1,0,0|0,0,0]=2 636 B8R1.50 CC1C(C)OCC1=O 1P00H6YO [1,0,0,1,0,0|1,0,1]=4 637 B8R1.50 CC1COC(=O)C1O 1P028RX6 [1,0,0,1,0,0|1,0,1]=4 638 B8R1.50 CN1C(=O)CCC1=O 1P0035VB [1,0,0,1,0,0|2,0,0]=4 639 B8R1.50 CN1C(=O)CNC1=O 1P00FFTF [1,0,0,1,0,0|2,0,0]=4 640 B8R1.50 CN1C(=O)COC1=O 1P001JLM [1,0,0,1,0,0|1,0,0]=3 641 B8R1.50 CN1C(=O)CSC1=O 1P001U8X [1,0,0,1,0,0|1,1,0]=4 642 B8R1.50 ClC1C(=O)CCC1=O 1P001I26 [1,0,0,1,0,0|2,0,0]=4 643 B8R1.50 ClC1C(=O)COC1=O 1P003JN1 [1,0,0,1,0,0|1,0,0]=3 644 B8R1.50 O=C1COC(=C1O)C 1P003LZ4 [1,0,0,1,0,0|1,0,1]=4 645 B8R1.50 O=C1NN=C(C1C)C 1P00FE1X [1,0,0,1,0,0|2,0,0]=4 646 B8R1.50 OC1=C(C)C(=O)OC1 1P00DKLN [1,0,0,1,0,0|0,0,2]=4 647 B8R1.50 ON1C(=O)CCC1=O 1P0035UL [1,0,0,1,0,0|2,0,0]=4 648 B8R1.50 O[C@@H]1[C@H](O)COC1=O 1P001PCQ [1,0,0,1,0,0|0,0,2]=4 649 B8R1.54 CC(=C1CC1)C(=O)O 1P01A3DI [1,0,0,1,0,0|1,0,1]=4 650 B8R1.54 CC(C(=O)O)C1CC1 1P00VTSG [1,0,0,1,0,0|1,0,1]=4 651 B8R1.54 C[C@@H](C(=O)O)C1CC1 1P028PB9 [1,0,0,1,0,0|1,0,1]=4 652 B8R1.54 C[C@H](C(=O)O)C1CC1 1P028PW1 [1,0,0,1,0,0|1,0,1]=4 653 B8R1.54 OC(C(=O)O)C1CC1 1P01AH2D [1,0,0,1,0,0|1,0,1]=4 654 B8R1.54 O[C@H](C(=O)O)C1CC1 1P01XA3U [1,0,0,1,0,0|1,0,1]=4 655 B8R1.77 CC1(Br)CC1C(=O)O 1P01B290 [1,0,0,1,0,0|1,0,1]=4 656 B8R1.77 OC(=O)C1CC1(C)C 1P00371E [1,0,0,1,0,0|1,0,1]=4 657 B8R1.77 OC(=O)[C@H]1CC1(C)C 1P001DYP [1,0,0,1,0,0|1,0,1]=4 658 B10R1.83 OC(=O)C1CC(=O)C1(C)C 1P00I6HY [0,0,0,1,0,1|1,0,0]=3 659 B10R1.83 OC(=O)C1OC(=O)C1(C)C 1P027TVO [0,0,0,1,0,1|2,0,0]=4 660 B10R1.120 O=C1CCC(=O)C(N1)(C)C 1P01BBIU [0,0,0,1,0,1|2,0,0]=4 661 B10R1.120 O=C1CNC(=O)C(C1)(C)C 1P01BSI8 [0,0,0,1,0,1|2,0,0]=4 662 B10R1.120 O=C1NCC(=O)C(C1)(C)C 1P028TG2 [0,0,0,1,0,1|2,0,0]=4 663 B10R1.358 OC(=O)CC(C1CC1)(O)C 1P01A36W [0,0,0,1,0,1|1,0,1]=4 664 B10R1.360 CC(=O)C1CC1(Cl)C(=O)O 1P0284NC [0,0,0,1,0,1|1,0,0]=3 665 B10R1.442 CC(=O)CC1(CC1)C(=O)O 1P028K5Y [0,0,0,1,0,1|1,0,0]=3 666 B10R1.442 CC(=O)NC1(CC1)C(=O)O 1P00CSKB [0,0,0,1,0,1|1,0,0]=3 667 B10R1.442 CC(=O)OC1(CC1)C(=O)O 1P000KH3 [0,0,0,1,0,1|1,0,0]=3 668 B10R1.442 NC(=O)NC1(CC1)C(=O)O 1P01A4BJ [0,0,0,1,0,1|2,0,0]=4 669 B10R1.442 OC(=O)CC1(CC1)C(=O)O 1P01AEL8 [0,0,0,1,0,1|2,0,0]=4 670 B10R1.470 CC1(CC(=NO1)C)C(=O)O 1P006AMG [0,0,0,1,0,1|1,0,0]=3 671 B10R1.470 O=C1CCC(C1)(C)C(=O)O 1P01AF0U [0,0,0,1,0,1|1,0,0]=3 672 B10R1.470 O=C1CCC(N1)(C)C(=O)O 1P01BDWE [0,0,0,1,0,1|1,0,0]=3 673 B10R1.470 O=C1CCC(O1)(C)C(=O)O 1P01GJ0J [0,0,0,1,0,1|1,0,0]=3 674 B10R1.470 O=C1CC[C@@](N1)(C)C(=O)O 1P00B9WH [0,0,0,1,0,1|1,0,0]=3 675 B10R1.470 O=C1CC[C@](N1)(C)C(=O)O 1P01JUJQ [0,0,0,1,0,1|1,0,0]=3 676 B10R1.470 O=C1NCC(C1)(C)C(=O)O 1P00VVRA [0,0,0,1,0,1|2,0,0]=4 677 B10R1.470 O=C1NCC(N1)(C)C(=O)O 1P028PE6 [0,0,0,1,0,1|2,0,0]=4 678 B10R1.470 O=C1OCC(C1)(C)C(=O)O 1P028OIW [0,0,0,1,0,1|2,0,0]=4 679 B10R1.470 O=C1OCC(N1)(C)C(=O)O 1P028FOX [0,0,0,1,0,1|2,0,0]=4 680 B10R1.566 OC(=O)C1(O)CC(C1)(C)C 1P01DX6O [0,0,0,1,0,1|1,0,1]=4 681 B10R1.114 O=C1CCCC(=O)C1(C)C 1P00DETE [0,1,0,1,0,0|2,0,0]=4 682 B10R1.114 O=C1CCNC(=O)C1(C)C 1P01DZJL [0,1,0,1,0,0|2,0,0]=4 683 B10R1.291 CC(=O)C1(C)CCOC1=O 1P003J9Z [0,1,0,1,0,0|1,0,0]=3 684 B10R1.291 CC(=O)C1(Cl)CCOC1=O 1P00C3B4 [0,1,0,1,0,0|1,0,0]=3 685 B10R1.291 OC(=O)C1(C)CCNC1=O 1P01BALB [0,1,0,1,0,0|1,0,0]=3 686 B10R1.291 OC(=O)[C@]1(C)CCNC1=O 1P01Z9QI [0,1,0,1,0,0|1,0,0]=3 687 B10R1.291 O[C@@H]1CNC[C@@]1(O)C(=O)O 1P0283F8 [0,1,0,1,0,0|0,0,2]=4 688 B10R1.354 OC(=O)C(C1CCC1)(O)C 1P01BCSP [0,1,0,1,0,0|1,0,1]=4 689 B10R1.425 CCC(=O)C1(CC1)C(=O)O 1P01AFBS [0,1,0,1,0,0|1,0,0]=3 690 B10R1.425 CNC(=O)C1(CC1)C(=O)O 1P01AAI1 [0,1,0,1,0,0|1,0,0]=3 691 B10R1.425 COC(=O)C1(CC1)C(=O)C 1P00CMKZ [0,1,0,1,0,0|1,0,0]=3 692 B10R1.425 COC(=O)C1(CC1)C(=O)O 1P00354T [0,1,0,1,0,0|1,0,0]=3 693 B10R1.111 CC1CC1(C(=O)O)C(=O)O 1P0285WU [0,1,0,1,0,0|2,0,0]=4 694 B10R1.111 NC(=O)[C@]1(C[C@H]1C)C(=O)O 1P01BSJ1 [0,1,0,1,0,0|2,0,0]=4 695 B10R1.364 CC(C1(COC1)C(=O)O)C 1P000AR2 [0,1,0,1,0,0|1,0,1]=4 696 B10R1.364 CC(C1(COC1)C(=O)O)F 1P024TWP [0,1,0,1,0,0|1,0,1]=4 697 B10R1.364 CN(C1(COC1)C(=O)O)C 1P01XAAT [0,1,0,1,0,0|2,0,0]=4 698 B10R1.364 OC(=O)C1(CCC1)C(=O)O 1P00IA73 [0,1,0,1,0,0|2,0,0]=4 699 B10R1.499 COC(C(=O)O)(C1CC1)C 1P01BD3V [0,1,0,1,0,0|1,0,1]=4 700 B10R1.366 OC(=O)C1(CC1)P(=O)(C)C 1P0282L8 [0,1,0,1,0,0|2,0,0]=4 701 B10R1.366 OC(=O)C1(CC1)S(=O)(=O)C 1P00IU5E [0,1,0,1,0,0|2,0,0]=4 702 B10R2.422 O=C1CCC(=O)C12CC2 1P028LWW [0,0,0,2,0,0|2,0,0]=4 703 B8R0.34 C=CC(CC(=O)O)(C)C 1P005EPY [1,0,0,0,0,1|1,0,1]=4 704 B8R0.34 CC(C=C)(CC(=O)O)O 1P01BEXX [1,0,0,0,0,1|0,0,1]=3 705 B8R0.34 CC(CC)(CC(=O)O)O 1P001MOK [1,0,0,0,0,1|0,0,1]=3 706 B8R0.34 CC(CN)(CC(=O)O)O 1P01C2EI [1,0,0,0,0,1|1,0,1]=4 707 B8R0.34 CCC(CC(=O)O)(C)C 1P00C0N1 [1,0,0,0,0,1|1,0,1]=4 708 B8R0.34 CNC(CC(=O)O)(C)C 1P028UEW [1,0,0,0,0,1|2,0,0]=4 709 B8R0.34 CSC(CC(=O)O)(C)C 1P028GQO [1,0,0,0,0,1|2,0,0]=4 710 B8R0.34 OCC(NC(=O)C)(C)C 1P01BIKY [1,0,0,0,0,1|1,0,1]=4 711 B8R0.23 CC(=C)CC(C(=O)O)C 1P01A6K2 [1,0,0,0,0,1|1,0,0]=3 712 B8R0.23 CC(=C)CC(C(=O)O)N 1P01BEQC [1,0,0,0,0,1|2,0,0]=4 713 B8R0.23 CC(=C)CC(C(=O)O)N 1P028BSM [1,0,0,0,0,1|2,0,0]=4 714 B8R0.23 CC(=C)C[C@@H](C(=O)O)C 1P01DVEX [1,0,0,0,0,1|1,0,0]=3 715 B8R0.23 CC(=C)C[C@@H](C(=O)O)N 1P004H6G [1,0,0,0,0,1|2,0,0]=4 716 B8R0.23 CC(=C)C[C@H](C(=O)O)N 1P01JNFJ [1,0,0,0,0,1|2,0,0]=4 717 B8R0.23 CC(=O)CC(C(=O)C)O 1P01IKOX [1,0,0,0,0,1|1,0,0]=3 718 B8R0.23 CC(=O)CC(C(=O)O)C 1P003O92 [1,0,0,0,0,1|0,0,0]=2 719 B8R0.23 CC(=O)CC(C(=O)O)N 1P00VVHG [1,0,0,0,0,1|1,0,0]=3 720 B8R0.23 CC(=O)NC(=C)C(=O)O 1P00IA5V [1,0,0,0,0,1|0,0,2]=4 721 B8R0.23 CC(=O)NC(C(=O)O)C 1P00HCMN [1,0,0,0,0,1|0,0,0]=2 722 B8R0.23 CC(=O)NC(C(O)C)C 1P00719U [1,0,0,0,0,1|1,0,1]=4 723 B8R0.23 CC(=O)N[C@@H](C(=O)O)C 1P003T5A [1,0,0,0,0,1|0,0,0]=2 724 B8R0.23 CC(=O)N[C@H](C(=O)O)C 1P003T5O [1,0,0,0,0,1|0,0,0]=2 725 B8R0.23 CC(=O)OC(C(=O)C)C 1P003J9G [1,0,0,0,0,1|1,0,0]=3 726 B8R0.23 CC(=O)OC(C(=O)Cl)C 1P00CI0A [1,0,0,0,0,1|1,0,0]=3 727 B8R0.23 CC(=O)OC(C(=O)O)C 1P00IA0E [1,0,0,0,0,1|0,0,0]=2 728 B8R0.23 CC(=O)O[C@@H](C(=O)Cl)C 1P00IMT7 [1,0,0,0,0,1|1,0,0]=3 729 B8R0.23 CC(=O)O[C@@H](C(=O)O)C 1P00AC23 [1,0,0,0,0,1|0,0,0]=2 730 B8R0.23 CC(=O)O[C@H](C(=O)Cl)C 1P003CU5 [1,0,0,0,0,1|1,0,0]=3 731 B8R0.23 CC(=O)O[C@H](C(=O)O)C 1P003CU4 [1,0,0,0,0,1|0,0,0]=2 732 B8R0.23 CC(C(=O)O)CC(C)C 1P00EBFG [1,0,0,0,0,1|1,0,1]=4 733 B8R0.23 CC(C(=O)O)CC(N)C 1P02914Z [1,0,0,0,0,1|1,0,1]=4 734 B8R0.23 CC(C(=O)O)CN(C)C 1P00J2B5 [1,0,0,0,0,1|2,0,0]=4 735 B8R0.23 CC(C(=O)O)NC(C)C 1P019VK1 [1,0,0,0,0,1|1,0,1]=4 736 B8R0.23 CC(C(=O)O)OC(C)C 1P005FR1 [1,0,0,0,0,1|1,0,1]=4 737 B8R0.23 CC(C(=O)O)SC(C)C 1P019NSY [1,0,0,0,0,1|1,0,1]=4 738 B8R0.23 CC(C(C)C)CC(=O)O 1P00C0MG [1,0,0,0,0,1|1,0,1]=4 739 B8R0.23 CC(N(C)C)CC(=O)O 1P00GNQF [1,0,0,0,0,1|2,0,0]=4 740 B8R0.23 CS(=O)CC(C(=O)O)C 1P01BF3I [1,0,0,0,0,1|1,0,0]=3 741 B8R0.23 CS(=O)C[C@@H](C(=O)O)N 1P00FABU [1,0,0,0,0,1|2,0,0]=4 742 B8R0.23 C[C@@H](N(C)C)CC(=O)O 1P0284HT [1,0,0,0,0,1|2,0,0]=4 743 B8R0.23 C[C@H](N(C)C)CC(=O)O 1P027W5B [1,0,0,0,0,1|2,0,0]=4 744 B8R0.23 C[S@](=O)C[C@@H](C(=O)O)N 1P00CNZI [1,0,0,0,0,1|2,0,0]=4 745 B8R0.23 NC(=O)CC(C(=O)O)C 1P01B9DC [1,0,0,0,0,1|1,0,0]=3 746 B8R0.23 NC(=O)CC(C(=O)O)N 1P003Q9E [1,0,0,0,0,1|2,0,0]=4 747 B8R0.23 NC(=O)C[C@@H](C(=O)O)N 1P0035JS [1,0,0,0,0,1|2,0,0]=4 748 B8R0.23 NC(=O)C[C@@H](C(=O)O)N 1P00IARL [1,0,0,0,0,1|2,0,0]=4 749 B8R0.23 NC(=O)C[C@@H](C(=O)O)O 1P01I6GV [1,0,0,0,0,1|1,0,0]=3 750 B8R0.23 NC(=O)C[C@@H](C(=O)O)[15NH2] 1P00CG1O [1,0,0,0,0,1|2,0,0]=4 751 B8R0.23 NC(=O)C[C@H](C(=O)O)N 1P002AUA [1,0,0,0,0,1|2,0,0]=4 752 B8R0.23 NC(=O)C[C@H](C(=O)O)N 1P003RAT [1,0,0,0,0,1|2,0,0]=4 753 B8R0.23 NC(=O)C[C@H](C(=O)O)O 1P028HNM [1,0,0,0,0,1|1,0,0]=3 754 B8R0.23 NC(=O)NC(C(=O)O)C 1P00G40I [1,0,0,0,0,1|1,0,0]=3 755 B8R0.23 NC(=O)N[C@H](C(=O)O)C 1P00I1WN [1,0,0,0,0,1|1,0,0]=3 756 B8R0.23 OC(=O)CC(=C(C)C)C 1P00B50T [1,0,0,0,0,1|1,0,1]=4 757 B8R0.23 OC(=O)CC(C(=O)C)C 1P003ON2 [1,0,0,0,0,1|0,0,0]=2 758 B8R0.23 OC(=O)CC(C(=O)N)C 1P01A53J [1,0,0,0,0,1|1,0,0]=3 759 B8R0.23 OC(=O)CC(C(=O)O)Br 1P003P1G [1,0,0,0,0,1|2,0,0]=4 760 B8R0.23 OC(=O)CC(C(=O)O)C 1P0032QP [1,0,0,0,0,1|1,0,0]=3 761 B8R0.23 OC(=O)CC(C(=O)O)N 1P00IBDD [1,0,0,0,0,1|2,0,0]=4 762 B8R0.23 OC(=O)CC(C(=O)O)O 1P003A2K [1,0,0,0,0,1|1,0,0]=3 763 B8R0.23 OC(=O)CC(C(=O)O)O 1P00DCO2 [1,0,0,0,0,1|1,0,0]=3 764 B8R0.23 OC(=O)CC(C(=O)O)O 1P01DQIV [1,0,0,0,0,1|1,0,0]=3 765 B8R0.23 OC(=O)CC(C(=O)O)S 1P003RXN [1,0,0,0,0,1|1,1,0]=4 766 B8R0.23 OC(=O)CN(C(=O)C)C 1P00EJQ7 [1,0,0,0,0,1|1,0,0]=3 767 B8R0.23 OC(=O)CN(C(=O)F)C 1P028BT9 [1,0,0,0,0,1|2,0,0]=4 768 B8R0.23 OC(=O)CN(C(=O)N)C 1P003111 [1,0,0,0,0,1|2,0,0]=4 769 B8R0.23 OC(=O)C[C@@H](C(=C)C)O 1P01AG8W [1,0,0,0,0,1|1,0,0]=3 770 B8R0.23 OC(=O)C[C@@H](C(=O)N)N 1P00C1KL [1,0,0,0,0,1|2,0,0]=4 771 B8R0.23 OC(=O)C[C@@H](C(=O)O)Br 1P002K98 [1,0,0,0,0,1|2,0,0]=4 772 B8R0.23 OC(=O)C[C@@H](C(=O)O)C 1P003CUV [1,0,0,0,0,1|1,0,0]=3 773 B8R0.23 OC(=O)C[C@@H](C(=O)O)F 1P01FM1V [1,0,0,0,0,1|2,0,0]=4 774 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P002J5V [1,0,0,0,0,1|2,0,0]=4 775 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P0035JU [1,0,0,0,0,1|2,0,0]=4 776 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P00BCQS [1,0,0,0,0,1|2,0,0]=4 777 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P00BGEE [1,0,0,0,0,1|2,0,0]=4 778 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P00I7X8 [1,0,0,0,0,1|2,0,0]=4 779 B8R0.23 OC(=O)C[C@@H](C(=O)O)O 1P003RN5 [1,0,0,0,0,1|1,0,0]=3 780 B8R0.23 OC(=O)C[C@@H](C(=O)O)[15NH2] 1P003ROV [1,0,0,0,0,1|2,0,0]=4 781 B8R0.23 OC(=O)C[C@@H](C(=O)[O-])N 1P0035YQ [1,0,0,0,0,1|2,0,0]=4 782 B8R0.23 OC(=O)C[C@@H](C(=O)[O-])N 1P003ROU [1,0,0,0,0,1|2,0,0]=4 783 B8R0.23 OC(=O)C[C@H](C(=O)N)N 1P002D2Z [1,0,0,0,0,1|2,0,0]=4 784 B8R0.23 OC(=O)C[C@H](C(=O)O)C 1P003CMN [1,0,0,0,0,1|1,0,0]=3 785 B8R0.23 OC(=O)C[C@H](C(=O)O)N 1P0026EB [1,0,0,0,0,1|2,0,0]=4 786 B8R0.23 OC(=O)C[C@H](C(=O)O)O 1P0032W0 [1,0,0,0,0,1|1,0,0]=3 787 B8R0.23 OC(=O)\C=C(/C(=O)O)\C 1P003I6D [1,0,0,0,0,1|1,0,1]=4 788 B8R0.23 OC(=O)\C=C(/C(=O)O)\C 1P01JGLL [1,0,0,0,0,1|1,0,1]=4 789 B8R0.23 OC(=O)\C=C(\C(=O)O)/C 1P003RXR [1,0,0,0,0,1|1,0,1]=4 790 B8R0.23 OC(C(=O)O)CC(C)C 1P003HV8 [1,0,0,0,0,1|1,0,1]=4 791 B8R0.23 OC(C(=O)O)CN(C)C 1P009R7U [1,0,0,0,0,1|2,0,0]=4 792 B8R0.23 O[C@@H](C(=O)O)CC(C)C 1P00295B [1,0,0,0,0,1|1,0,1]=4 793 B8R0.23 O[C@@H](C(C)C)CC(=O)O 1P005E7Z [1,0,0,0,0,1|1,0,1]=4 794 B8R0.23 O[C@H](C(=O)O)CC(C)C 1P0013SV [1,0,0,0,0,1|1,0,1]=4 795 B8R0.23 O[C@H](C(=O)O)CN(C)C 1P00A9SV [1,0,0,0,0,1|2,0,0]=4 796 B8R0.23 O[C@H](C(C)C)CC(=O)O 1P01AG46 [1,0,0,0,0,1|1,0,1]=4 797 B8R0.23 [O-]C(=O)CC(C(=O)N)O 1P01A689 [1,0,0,0,0,1|1,0,1]=4 798 B8R0.23 [O-]C(=O)CC(C(=O)O)N 1P006L6H [1,0,0,0,0,1|2,0,0]=4 799 B8R0.23 [O-]C(=O)CC(C(=O)[O-])O 1P003P1V [1,0,0,0,0,1|1,0,1]=4 800 B8R0.23 [O-]C(=O)CC(C(=O)[O-])O 1P003URJ [1,0,0,0,0,1|1,0,1]=4 801 B8R0.23 [O-]C(=O)CC(C(=O)[O-])O 1P02029H [1,0,0,0,0,1|1,0,1]=4 802 B10R0.43 CC(=CCC(C(=O)O)(C)C)C 1P024MEX [0,0,0,0,0,2|2,0,0]=4 803 B10R0.43 CC(=O)CCC(C(=O)O)(C)C 1P01A2BI [0,0,0,0,0,2|1,0,0]=3 804 B10R0.43 CC(=O)NCC(C(=O)O)(C)C 1P01BGLK [0,0,0,0,0,2|1,0,0]=3 805 B10R0.43 CN(CCC(C(=O)O)(O)C)C 1P028SLP [0,0,0,0,0,2|2,0,0]=4 806 B10R0.43 OC(=O)CCC(C(=O)C)(C)C 1P01A219 [0,0,0,0,0,2|1,0,0]=3 807 B10R0.43 OC(=O)CCC(C(=O)O)(C)C 1P003FSD [0,0,0,0,0,2|2,0,0]=4 808 B10R0.43 OC(=O)CC[C@@](C(=O)O)(N)C 1P0285AP [0,0,0,0,0,2|2,0,0]=4 809 B10R0.43 OC(=O)CSC(C(=O)O)(C)C 1P01B993 [0,0,0,0,0,2|2,0,0]=4 810 B10R0.165 CC(=O)CC(CC(=O)O)(C)C 1P002IU1 [0,0,0,0,0,2|1,0,0]=3 811 B10R0.165 CC(=O)CC(NC(=O)C)(C)C 1P00763R [0,0,0,0,0,2|2,0,0]=4 812 B10R0.165 OC(=O)CC(CC(=O)O)(C)C 1P003IU6 [0,0,0,0,0,2|2,0,0]=4 813 B10R0.165 OC(=O)CC(CC(=O)O)(O)C 1P00I9HM [0,0,0,0,0,2|1,0,0]=3