0 B7R0.6 CC(=C)CCC(=O)O 1P0001EL [0,0,0,0,0,0|0,0,4]=4 1 B7R0.6 CC(=NNC(=O)C)C 1P00C6UV [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 CC(=NOC(=O)C)C 1P01XCOR [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 CC(=O)C=CC(=O)O 1P003414 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.6 CC(=O)CCC(=O)O 1P000KEL [0,0,0,0,0,0|1,0,3]=4 5 B7R0.6 CC(=O)COC(C)C 1P0071XC [0,0,0,0,0,0|2,0,1]=3 6 B7R0.6 CC(=O)NCC(=O)O 1P0033J8 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.6 CC(=O)OCC(=O)O 1P0018ZE [0,0,0,0,0,0|2,0,2]=4 8 B7R0.6 CC(=O)SCC(=O)O 1P000PI2 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.6 CC(C#CC(=O)O)C 1P01ANWI [0,0,0,0,0,0|0,0,2]=2 10 B7R0.6 CC(C#CC(=O)O)N 1P0284K5 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.6 CC(C=CC(=O)C)C 1P003NC7 [0,0,0,0,0,0|1,0,0]=1 12 B7R0.6 CC(C=CC(=O)O)C 1P003M70 [0,0,0,0,0,0|0,0,0]=0 13 B7R0.6 CC(CCB(O)O)C 1P003RKW [0,0,0,0,0,0|1,0,3]=4 14 B7R0.6 CC(CCC(=N)N)C 1P00J1UE [0,0,0,0,0,0|2,0,2]=4 15 B7R0.6 CC(CCC(=O)C)C 1P003NBT [0,0,0,0,0,0|1,0,2]=3 16 B7R0.6 CC(CCC(=O)C)Cl 1P0007YL [0,0,0,0,0,0|2,0,2]=4 17 B7R0.6 CC(CCC(=O)Cl)C 1P003M9S [0,0,0,0,0,0|1,0,2]=3 18 B7R0.6 CC(CCC(=O)Cl)Cl 1P00IBOS [0,0,0,0,0,0|2,0,2]=4 19 B7R0.6 CC(CCC(=O)N)C 1P007DVM [0,0,0,0,0,0|1,0,2]=3 20 B7R0.6 CC(CCC(=O)O)Br 1P01A4B3 [0,0,0,0,0,0|1,0,2]=3 21 B7R0.6 CC(CCC(=O)O)C 1P003M9R [0,0,0,0,0,0|0,0,2]=2 22 B7R0.6 CC(CCC(=O)O)N 1P001A2N [0,0,0,0,0,0|1,0,2]=3 23 B7R0.6 CC(CCC(=O)O)N 1P01AKAQ [0,0,0,0,0,0|1,0,2]=3 24 B7R0.6 CC(CCC(=O)O)O 1P0038KW [0,0,0,0,0,0|1,0,2]=3 25 B7R0.6 CC(CCC(=O)O)S 1P000P7Q [0,0,0,0,0,0|1,0,2]=3 26 B7R0.6 CC(CCC(=O)[O-])O 1P003BDK [0,0,0,0,0,0|1,0,3]=4 27 B7R0.6 CC(CCC(=S)N)C 1P019VQG [0,0,0,0,0,0|1,1,2]=4 28 B7R0.6 CC(CCC(O)C)C 1P003NBS [0,0,0,0,0,0|1,0,3]=4 29 B7R0.6 CC(CCS(=O)Cl)C 1P01C9KM [0,0,0,0,0,0|2,0,2]=4 30 B7R0.6 CC(CC[N+](=O)[O-])C 1P00F3IP [0,0,0,0,0,0|1,0,3]=4 31 B7R0.6 CC(CNC(=O)C)O 1P00719V [0,0,0,0,0,0|3,0,1]=4 32 B7R0.6 CC(CNC(=O)N)C 1P003RJM [0,0,0,0,0,0|2,0,1]=3 33 B7R0.6 CC(CNC(=S)N)C 1P001NWE [0,0,0,0,0,0|2,1,1]=4 34 B7R0.6 CC(NCC(=O)C)C 1P01ANL3 [0,0,0,0,0,0|2,0,1]=3 35 B7R0.6 CC(NCC(=O)N)C 1P00G7RH [0,0,0,0,0,0|2,0,1]=3 36 B7R0.6 CC(NCC(=O)N)C 1P019JUE [0,0,0,0,0,0|2,0,1]=3 37 B7R0.6 CC(NCC(=O)O)C 1P00C901 [0,0,0,0,0,0|1,0,1]=2 38 B7R0.6 CC(NCC(=O)O)C 1P019MFH [0,0,0,0,0,0|1,0,1]=2 39 B7R0.6 CC(NCC(O)C)C 1P00D74X [0,0,0,0,0,0|2,0,2]=4 40 B7R0.6 CC(NNC(=O)C)C 1P00DBJA [0,0,0,0,0,0|3,0,0]=3 41 B7R0.6 CC(OCC(=N)N)C 1P01A330 [0,0,0,0,0,0|3,0,1]=4 42 B7R0.6 CC(OCC(=O)Cl)C 1P01E7J0 [0,0,0,0,0,0|2,0,1]=3 43 B7R0.6 CC(OCC(=O)O)C 1P007FU5 [0,0,0,0,0,0|1,0,1]=2 44 B7R0.6 CC(OCC(=S)N)C 1P01B4GG [0,0,0,0,0,0|2,1,1]=4 45 B7R0.6 CC(OCC(O)C)C 1P00CZID [0,0,0,0,0,0|2,0,2]=4 46 B7R0.6 CC(SCC(=O)O)C 1P006WX6 [0,0,0,0,0,0|1,0,1]=2 47 B7R0.6 CC(\C=C\C(=O)O)C 1P001XCU [0,0,0,0,0,0|0,0,0]=0 48 B7R0.6 CC(\C=C\[N+](=O)[O-])C 1P002UV0 [0,0,0,0,0,0|1,0,1]=2 49 B7R0.6 CN(C=C[N+](=O)[O-])C 1P000PI3 [0,0,0,0,0,0|2,0,1]=3 50 B7R0.6 CN(CCC(=O)C)C 1P00C2GG [0,0,0,0,0,0|2,0,2]=4 51 B7R0.6 CN(CCC(=O)C)C 1P00J3Y6 [0,0,0,0,0,0|2,0,2]=4 52 B7R0.6 CN(CCC(=O)Cl)C 1P00GYU2 [0,0,0,0,0,0|2,0,2]=4 53 B7R0.6 CN(CCC(=O)N)C 1P002DMK [0,0,0,0,0,0|2,0,2]=4 54 B7R0.6 CN(CCC(=O)O)C 1P001FQ6 [0,0,0,0,0,0|1,0,2]=3 55 B7R0.6 CN(CCC(=O)O)C 1P00E97T [0,0,0,0,0,0|1,0,2]=3 56 B7R0.6 CN(\C=C\C(=O)C)C 1P003EQJ [0,0,0,0,0,0|2,0,0]=2 57 B7R0.6 CN(\C=C\[N+](=O)[O-])C 1P005OM5 [0,0,0,0,0,0|2,0,1]=3 58 B7R0.6 CS(=O)CCC(=O)O 1P001DGF [0,0,0,0,0,0|2,0,2]=4 59 B7R0.6 C[C@@H](CCC(=O)O)N 1P028SQ6 [0,0,0,0,0,0|1,0,2]=3 60 B7R0.6 C[C@H](CCC(=O)O)N 1P01P6YP [0,0,0,0,0,0|1,0,2]=3 61 B7R0.6 C[C@H](CCC(=O)O)S 1P028IQP [0,0,0,0,0,0|1,0,2]=3 62 B7R0.6 C[S+](CCC(=O)O)C 1P002KXE [0,0,0,0,0,0|1,0,2]=3 63 B7R0.6 C[S+](CCC(=O)O)C 1P003C35 [0,0,0,0,0,0|1,0,2]=3 64 B7R0.6 C[S+](CCC(=O)[O-])C 1P003Q49 [0,0,0,0,0,0|1,0,3]=4 65 B7R0.6 ClC(=O)\C=C\C(=O)Cl 1P0035F8 [0,0,0,0,0,0|3,0,1]=4 66 B7R0.6 ClC(CCC(=O)O)Cl 1P01BSXU [0,0,0,0,0,0|2,0,2]=4 67 B7R0.6 FC(C#CC(=O)O)F 1P01DRX5 [0,0,0,0,0,0|2,0,2]=4 68 B7R0.6 FC(CCC(=O)O)F 1P006BJ8 [0,0,0,0,0,0|2,0,2]=4 69 B7R0.6 FC(OCC(=O)O)F 1P01BECR [0,0,0,0,0,0|3,0,1]=4 70 B7R0.6 FC(SCC(=O)O)F 1P01DXRY [0,0,0,0,0,0|3,0,1]=4 71 B7R0.6 FC(\C=C\C(=O)O)F 1P01DN4R [0,0,0,0,0,0|2,0,0]=2 72 B7R0.6 NC(=O)NN=C(C)C 1P003O3Y [0,0,0,0,0,0|3,0,1]=4 73 B7R0.6 NC(=O)\C=C/C(=O)N 1P003RW6 [0,0,0,0,0,0|3,0,1]=4 74 B7R0.6 NC(=O)\C=C/C(=O)O 1P0035KY [0,0,0,0,0,0|2,0,1]=3 75 B7R0.6 NC(=O)\C=C\C(=O)N 1P003R5Q [0,0,0,0,0,0|3,0,1]=4 76 B7R0.6 OC(=O)C=C=C(C)C 1P01GKTU [0,0,0,0,0,0|0,0,2]=2 77 B7R0.6 OC(=O)CC=C(C)C 1P00389R [0,0,0,0,0,0|0,0,2]=2 78 B7R0.6 OC(=O)CNC(=S)C 1P00IN1C [0,0,0,0,0,0|2,0,2]=4 79 B7R0.6 OC(=O)\C=C/C(=O)O 1P0039G6 [0,0,0,0,0,0|2,0,1]=3 80 B7R0.6 OC(=O)\C=C/C(=O)O 1P003RW7 [0,0,0,0,0,0|2,0,1]=3 81 B7R0.6 OC(=O)\C=C/C(=O)O 1P00FASS [0,0,0,0,0,0|2,0,1]=3 82 B7R0.6 OC(=O)\C=C\C(=O)O 1P001G63 [0,0,0,0,0,0|2,0,1]=3 83 B7R0.6 OC(=O)\C=C\C(=O)O 1P002JTO [0,0,0,0,0,0|2,0,1]=3 84 B7R0.6 OC(=O)\C=C\C(=O)O 1P0035F6 [0,0,0,0,0,0|2,0,1]=3 85 B7R0.6 OC(=O)\C=C\C(=O)O 1P00BCCL [0,0,0,0,0,0|2,0,1]=3 86 B7R0.6 OC(=O)\C=C\C(=O)O 1P00G4L9 [0,0,0,0,0,0|2,0,1]=3 87 B7R0.6 OC(=O)\C=C\C(=O)O 1P00IM4G [0,0,0,0,0,0|2,0,1]=3 88 B7R0.6 [O-]C(=O)C=CC(=O)[O-] 1P003UT8 [0,0,0,0,0,0|2,0,2]=4 89 B7R0.6 [O-]C(=O)\C=C/C(=O)O 1P0032HL [0,0,0,0,0,0|2,0,1]=3 90 B7R0.6 [O-]C(=O)\C=C/C(=O)O 1P00FASU [0,0,0,0,0,0|2,0,1]=3 91 B7R0.6 [O-]C(=O)\C=C\C(=O)O 1P003UTI [0,0,0,0,0,0|2,0,1]=3 92 B6R0.4 BrCC=CC(C)C 1P006EUU [1,0,0,0,0,0|1,0,1]=3 93 B6R0.4 BrCCCC(=O)O 1P002SV1 [1,0,0,0,0,0|1,0,2]=4 94 B6R0.4 BrC\C=C\C(=O)O 1P001C9M [1,0,0,0,0,0|1,0,0]=2 95 B6R0.4 C#CC=CC(C)C 1P01BEP4 [1,0,0,0,0,0|1,0,1]=3 96 B6R0.4 C=CC=CC(=O)O 1P00IBIF [1,0,0,0,0,0|0,0,2]=3 97 B6R0.4 C=CCNC(C)C 1P00J27D [1,0,0,0,0,0|2,0,1]=4 98 B6R0.4 C=CCNC(C)C 1P019WIN [1,0,0,0,0,0|2,0,1]=4 99 B6R0.4 C=COCC(C)C 1P003RJN [1,0,0,0,0,0|2,0,1]=4 100 B6R0.4 C=COCC(C)C 1P01B5NC [1,0,0,0,0,0|2,0,1]=4 101 B6R0.4 C=C\C=C/C(=O)O 1P01DEBA [1,0,0,0,0,0|0,0,2]=3 102 B6R0.4 C=C\C=C\C(=O)O 1P0070UZ [1,0,0,0,0,0|0,0,2]=3 103 B6R0.4 CC(CON=O)C 1P003RJX [1,0,0,0,0,0|2,0,1]=4 104 B6R0.4 CCC#CC(=O)C 1P003JZH [1,0,0,0,0,0|1,0,2]=4 105 B6R0.4 CCC#CC(=O)O 1P003IAY [1,0,0,0,0,0|0,0,2]=3 106 B6R0.4 CCCC=C(C)C 1P003I2I [1,0,0,0,0,0|2,0,1]=4 107 B6R0.4 CCCCC(=O)Br 1P002HYG [1,0,0,0,0,0|1,0,2]=4 108 B6R0.4 CCCCC(=O)Cl 1P003698 [1,0,0,0,0,0|1,0,2]=4 109 B6R0.4 CCCCC(=O)N 1P0035X7 [1,0,0,0,0,0|1,0,2]=4 110 B6R0.4 CCCCC(=O)O 1P003696 [1,0,0,0,0,0|0,0,2]=3 111 B6R0.4 CCCCC(=O)[O-] 1P003697 [1,0,0,0,0,0|0,0,3]=4 112 B6R0.4 CCCC[Sn](=O)O 1P003P30 [1,0,0,0,0,0|1,0,2]=4 113 B6R0.4 CCCNC(=O)C 1P003SVI [1,0,0,0,0,0|2,0,1]=4 114 B6R0.4 CCCNC(=O)Cl 1P00D7IN [1,0,0,0,0,0|2,0,1]=4 115 B6R0.4 CCCNC(=O)N 1P003TSP [1,0,0,0,0,0|2,0,1]=4 116 B6R0.4 CCCOC(=O)F 1P01B7MD [1,0,0,0,0,0|2,0,1]=4 117 B6R0.4 CCCOC(=O)N 1P00EB3O [1,0,0,0,0,0|2,0,1]=4 118 B6R0.4 CCCSC(=O)C 1P002MLH [1,0,0,0,0,0|2,0,1]=4 119 B6R0.4 CCNCC(=O)C 1P01AMEX [1,0,0,0,0,0|2,0,1]=4 120 B6R0.4 CCNCC(=O)N 1P01BDEX [1,0,0,0,0,0|2,0,1]=4 121 B6R0.4 CCNCC(=O)O 1P003TH0 [1,0,0,0,0,0|1,0,1]=3 122 B6R0.4 CCNCC(=O)O 1P00DUFI [1,0,0,0,0,0|1,0,1]=3 123 B6R0.4 CCOCC(=O)C 1P001LKY [1,0,0,0,0,0|2,0,1]=4 124 B6R0.4 CCOCC(=O)Cl 1P001D7O [1,0,0,0,0,0|2,0,1]=4 125 B6R0.4 CCOCC(=O)O 1P0033R4 [1,0,0,0,0,0|1,0,1]=3 126 B6R0.4 CCONC(=O)C 1P0284GY [1,0,0,0,0,0|3,0,0]=4 127 B6R0.4 CCSCC(=O)C 1P003CHU [1,0,0,0,0,0|2,0,1]=4 128 B6R0.4 CCSCC(=O)O 1P003BF5 [1,0,0,0,0,0|1,0,1]=3 129 B6R0.4 CC\C=C/C(=O)O 1P00B62Y [1,0,0,0,0,0|0,0,0]=1 130 B6R0.4 CC\C=C\C(=O)Cl 1P00CTFB [1,0,0,0,0,0|1,0,0]=2 131 B6R0.4 CC\C=C\C(=O)O 1P001C9L [1,0,0,0,0,0|0,0,0]=1 132 B6R0.4 CC\C=C\[N+](=O)[O-] 1P00CEU0 [1,0,0,0,0,0|1,0,1]=3 133 B6R0.4 CNCCC(=O)O 1P003IPE [1,0,0,0,0,0|1,0,2]=4 134 B6R0.4 CNCCC(=O)O 1P00IBZR [1,0,0,0,0,0|1,0,2]=4 135 B6R0.4 COC=CC(=O)C 1P00DEQI [1,0,0,0,0,0|2,0,0]=3 136 B6R0.4 COC=CC(=O)O 1P01KAIU [1,0,0,0,0,0|1,0,0]=2 137 B6R0.4 COCCC(=O)O 1P003K4N [1,0,0,0,0,0|1,0,2]=4 138 B6R0.4 CON=CC(=O)O 1P008EGN [1,0,0,0,0,0|2,0,0]=3 139 B6R0.4 CONCC(=O)O 1P028RHG [1,0,0,0,0,0|2,0,1]=4 140 B6R0.4 CO\C=C\C(=O)C 1P00366M [1,0,0,0,0,0|2,0,0]=3 141 B6R0.4 CO\C=C\C(=O)O 1P01J5LZ [1,0,0,0,0,0|1,0,0]=2 142 B6R0.4 CSSCC(=O)O 1P01A6D5 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.4 C\C=C\CC(=O)O 1P001WA4 [1,0,0,0,0,0|0,0,2]=3 144 B6R0.4 ClCC#CC(=O)O 1P0011O4 [1,0,0,0,0,0|1,0,2]=4 145 B6R0.4 ClCC=CC(=O)Cl 1P002PYN [1,0,0,0,0,0|2,0,0]=3 146 B6R0.4 ClCC=CC(=O)O 1P001T1M [1,0,0,0,0,0|1,0,0]=2 147 B6R0.4 ClCCCC(=O)O 1P003LNQ [1,0,0,0,0,0|1,0,2]=4 148 B6R0.4 ClC\C=C\B(O)O 1P003C8N [1,0,0,0,0,0|2,0,1]=4 149 B6R0.4 ClC\C=C\C(=O)O 1P01DL21 [1,0,0,0,0,0|1,0,0]=2 150 B6R0.4 FCCCC(=O)O 1P00DWFR [1,0,0,0,0,0|1,0,2]=4 151 B6R0.4 ICCCC(=O)O 1P003M1J [1,0,0,0,0,0|1,0,2]=4 152 B6R0.4 N#C\C=C\C(=O)O 1P024H2K [1,0,0,0,0,0|1,0,1]=3 153 B6R0.4 N#C\C=C\N(C)C 1P003IOH [1,0,0,0,0,0|2,0,1]=4 154 B6R0.4 NCC#CC(=O)O 1P01AFUK [1,0,0,0,0,0|1,0,2]=4 155 B6R0.4 NCC=CC(=O)O 1P01BG7C [1,0,0,0,0,0|1,0,0]=2 156 B6R0.4 NCCCC(=O)O 1P003L7U [1,0,0,0,0,0|1,0,2]=4 157 B6R0.4 NC\C=C\C(=O)N 1P028GOU [1,0,0,0,0,0|2,0,0]=3 158 B6R0.4 NC\C=C\C(=O)O 1P00IMT6 [1,0,0,0,0,0|1,0,0]=2 159 B6R0.4 O=C=NC=C(C)C 1P01AGQO [1,0,0,0,0,0|1,0,2]=4 160 B6R0.4 O=CC=CN(C)C 1P005KZD [1,0,0,0,0,0|1,0,0]=2 161 B6R0.4 O=CCCC(C)C 1P0038PE [1,0,0,0,0,0|0,0,2]=3 162 B6R0.4 O=C\C=C\C(C)C 1P002OTI [1,0,0,0,0,0|0,0,0]=1 163 B6R0.4 O=C\C=C\N(C)C 1P003JTX [1,0,0,0,0,0|1,0,0]=2 164 B6R0.4 OC(=O)CC=C=C 1P01HNC6 [1,0,0,0,0,0|0,0,3]=4 165 B6R0.4 OC(=O)C\C=C\Br 1P028E18 [1,0,0,0,0,0|1,0,2]=4 166 B6R0.4 OCC#CC(=O)O 1P00FEG4 [1,0,0,0,0,0|1,0,2]=4 167 B6R0.4 OCC=CC(=O)[O-] 1P01C4RI [1,0,0,0,0,0|1,0,1]=3 168 B6R0.4 OCCNC(C)C 1P00IKX9 [1,0,0,0,0,0|1,0,2]=4 169 B6R0.4 OCCOC(C)C 1P003HY2 [1,0,0,0,0,0|1,0,2]=4 170 B6R0.4 OC\C=C\C(=O)O 1P002P4F [1,0,0,0,0,0|1,0,0]=2 171 B6R0.4 SCCCC(=O)O 1P000VMF [1,0,0,0,0,0|1,0,2]=4 172 B8R0.9 BrCC(=O)NCC(C)C 1P00661C [0,1,0,0,0,0|2,0,1]=4 173 B8R0.9 BrCC(=O)OCC(C)C 1P00EZN9 [0,1,0,0,0,0|2,0,1]=4 174 B8R0.9 C=CC(=O)CCC(C)C 1P028WMT [0,1,0,0,0,0|1,0,2]=4 175 B8R0.9 CC(=CCC(=O)O)C=C 1P01AFO0 [0,1,0,0,0,0|0,0,3]=4 176 B8R0.9 CC(C#N)CCC(=O)O 1P028YKK [0,1,0,0,0,0|0,0,3]=4 177 B8R0.9 CC(CC)CCC(=O)O 1P001OZD [0,1,0,0,0,0|0,0,2]=3 178 B8R0.9 CC(CC)COC(=O)Cl 1P0029RF [0,1,0,0,0,0|2,0,1]=4 179 B8R0.9 CC(CCC(=NO)N)C 1P019V0J [0,1,0,0,0,0|1,0,2]=4 180 B8R0.9 CC(CN)CCC(=O)O 1P01A3KI [0,1,0,0,0,0|0,0,2]=3 181 B8R0.9 CC(CN)CNC(=O)C 1P009FP3 [0,1,0,0,0,0|2,0,1]=4 182 B8R0.9 CC(NCC(=O)O)CC 1P019UYV [0,1,0,0,0,0|1,0,1]=3 183 B8R0.9 CC(OC)CCC(=O)O 1P01A6MQ [0,1,0,0,0,0|0,0,2]=3 184 B8R0.9 CC(OCC(=NO)N)C 1P019V7J [0,1,0,0,0,0|2,0,1]=4 185 B8R0.9 CC(OCC(=O)O)CC 1P01A2G6 [0,1,0,0,0,0|1,0,1]=3 186 B8R0.9 CC(ONC(=O)C#C)C 1P02909P [0,1,0,0,0,0|3,0,0]=4 187 B8R0.9 CC(SC)CCC(=O)O 1P01A4ZX [0,1,0,0,0,0|0,0,2]=3 188 B8R0.9 CC(\C=C\C(=O)O)CC 1P01HUR0 [0,1,0,0,0,0|0,0,0]=1 189 B8R0.9 CCC(=O)NCC(C)C 1P00EKOT [0,1,0,0,0,0|2,0,1]=4 190 B8R0.9 CCC(CCC(=O)C)C 1P0023WR [0,1,0,0,0,0|1,0,2]=4 191 B8R0.9 CCC(CCC(=O)O)N 1P00JEB8 [0,1,0,0,0,0|1,0,2]=4 192 B8R0.9 CCC(COC(=O)C)C 1P003I5L [0,1,0,0,0,0|2,0,1]=4 193 B8R0.9 CN(CC)CCC(=O)O 1P00J2A1 [0,1,0,0,0,0|1,0,2]=4 194 B8R0.9 CNC(=O)\C=C/C(=O)O 1P003TOL [0,1,0,0,0,0|1,0,1]=3 195 B8R0.9 COC(=O)C#CC(N)C 1P0285FK [0,1,0,0,0,0|1,0,2]=4 196 B8R0.9 COC(=O)C=CC(=O)C 1P00BDS4 [0,1,0,0,0,0|1,0,1]=3 197 B8R0.9 COC(=O)C=CC(N)C 1P01FIJP [0,1,0,0,0,0|1,0,0]=2 198 B8R0.9 COC(=O)C=CN(C)C 1P00IKTF [0,1,0,0,0,0|1,0,0]=2 199 B8R0.9 COC(=O)CCC(Br)C 1P028H5K [0,1,0,0,0,0|1,0,2]=4 200 B8R0.9 COC(=O)CCC(Cl)C 1P01A5G3 [0,1,0,0,0,0|1,0,2]=4 201 B8R0.9 COC(=O)CCN(C)C 1P003S6H [0,1,0,0,0,0|1,0,2]=4 202 B8R0.9 COC(=O)CC[C@@H](N)C 1P028IWJ [0,1,0,0,0,0|1,0,2]=4 203 B8R0.9 COC(=O)CC[C@H](N)C 1P028V4N [0,1,0,0,0,0|1,0,2]=4 204 B8R0.9 COC(=O)CNC(C)C 1P019NPT [0,1,0,0,0,0|1,0,1]=3 205 B8R0.9 COC(=O)COC(C)C 1P00254F [0,1,0,0,0,0|1,0,1]=3 206 B8R0.9 COC(=O)NCC(N)C 1P028TPG [0,1,0,0,0,0|2,0,1]=4 207 B8R0.9 COC(=O)\C=C/C(=O)O 1P0030VV [0,1,0,0,0,0|1,0,1]=3 208 B8R0.9 COC(=O)\C=C\C(=O)O 1P002UJ4 [0,1,0,0,0,0|1,0,1]=3 209 B8R0.9 COC(=O)\C=C\C(C)C 1P002ACV [0,1,0,0,0,0|0,0,0]=1 210 B8R0.9 COC(=O)\C=C\N(C)C 1P002J1R [0,1,0,0,0,0|1,0,0]=2 211 B8R0.9 COC(COC(=O)C)C 1P00FERJ [0,1,0,0,0,0|2,0,1]=4 212 B8R0.9 C\C(=C/CC(=O)O)\CC 1P00DKVF [0,1,0,0,0,0|0,0,2]=3 213 B8R0.9 ClCC(=O)CCC(C)C 1P00BIFO [0,1,0,0,0,0|1,0,2]=4 214 B8R0.9 ClCC(=O)COC(C)C 1P01IFX6 [0,1,0,0,0,0|2,0,1]=4 215 B8R0.9 ClCC(=O)NCC(C)C 1P00CRQA [0,1,0,0,0,0|2,0,1]=4 216 B8R0.9 NC(CF)CCC(=O)O 1P01BE8X [0,1,0,0,0,0|1,0,2]=4 217 B8R0.9 NCC(=O)NCC(C)C 1P00AUNE [0,1,0,0,0,0|2,0,1]=4 218 B8R0.9 NCC(CCC(=O)O)N 1P01AI1W [0,1,0,0,0,0|1,0,2]=4 219 B8R0.9 NC[C@@H](CCC(=O)O)N 1P02403U [0,1,0,0,0,0|1,0,2]=4 220 B8R0.9 NC[C@H](CCC(=O)O)N 1P021JBW [0,1,0,0,0,0|1,0,2]=4 221 B8R0.9 NNC(=O)NCC(C)C 1P019YAQ [0,1,0,0,0,0|2,0,1]=4 222 B8R0.9 N[C@H](CF)CCC(=O)O 1P01BDS0 [0,1,0,0,0,0|1,0,2]=4 223 B8R0.9 O=C\C(=C\OC(C)C)\Br 1P019GMI [0,1,0,0,0,0|2,0,0]=3 224 B8R0.9 OC[C@H](CCC(=O)O)N 1P01C6Z9 [0,1,0,0,0,0|1,0,2]=4 225 B8R0.9 ONC(=O)CCC(C)C 1P01AAXS [0,1,0,0,0,0|0,0,2]=3 226 B8R0.9 [O-]C(=O)CCC(CO)C 1P0290FV [0,1,0,0,0,0|0,0,3]=4 227 B8R0.9 [O-][N+](=O)\C=C\C(=O)OC 1P01IC1C [0,1,0,0,0,0|3,0,0]=4 228 B8R0.23 BrC(C(=O)O)CC(C)C 1P003A9V [0,1,0,0,0,0|0,0,2]=3 229 B8R0.23 Br[C@@H](C(=O)O)CC(C)C 1P01DJ3Z [0,1,0,0,0,0|0,0,2]=3 230 B8R0.23 Br[C@H](C(=O)O)CC(C)C 1P00C23F [0,1,0,0,0,0|0,0,2]=3 231 B8R0.23 CC(=O)C=C(N(C)C)C 1P003AUS [0,1,0,0,0,0|2,0,0]=3 232 B8R0.23 CC(=O)CC(=O)C(C)C 1P00FDL6 [0,1,0,0,0,0|1,0,1]=3 233 B8R0.23 CC(=O)CC(=O)N(C)C 1P0029Y4 [0,1,0,0,0,0|2,0,1]=4 234 B8R0.23 CC(=O)CN(C(C)C)C 1P00J2BX [0,1,0,0,0,0|2,0,1]=4 235 B8R0.23 CC(=O)NC(=C)C(=O)O 1P00IA5V [0,1,0,0,0,0|2,0,1]=4 236 B8R0.23 CC(C(=CC(=O)O)C)C 1P01AFM1 [0,1,0,0,0,0|0,0,0]=1 237 B8R0.23 CC(C(=O)NC(=O)N)Cl 1P00BOL0 [0,1,0,0,0,0|3,0,0]=4 238 B8R0.23 CC(C(=O)NC(=O)N)O 1P003WX7 [0,1,0,0,0,0|3,0,0]=4 239 B8R0.23 CC(C(=O)NC(=S)N)C 1P01JXZO [0,1,0,0,0,0|2,1,0]=4 240 B8R0.23 CC(C(=O)O)CC(C)C 1P00EBFG [0,1,0,0,0,0|0,0,2]=3 241 B8R0.23 CC(C(=O)O)CC(N)C 1P02914Z [0,1,0,0,0,0|1,0,2]=4 242 B8R0.23 CC(C(=O)O)CN(C)C 1P00J2B5 [0,1,0,0,0,0|1,0,2]=4 243 B8R0.23 CC(C(=O)O)NC(C)C 1P019VK1 [0,1,0,0,0,0|1,0,1]=3 244 B8R0.23 CC(C(=O)O)OC(C)C 1P005FR1 [0,1,0,0,0,0|1,0,1]=3 245 B8R0.23 CC(C(=O)O)SC(C)C 1P019NSY [0,1,0,0,0,0|1,0,1]=3 246 B8R0.23 CC(C(C)C)CC(=O)O 1P00C0MG [0,1,0,0,0,0|0,0,2]=3 247 B8R0.23 CC(CC(=C)C(=O)C)C 1P008UR2 [0,1,0,0,0,0|1,0,1]=3 248 B8R0.23 CC(CC(=C)C(=O)O)C 1P002QQ0 [0,1,0,0,0,0|0,0,1]=2 249 B8R0.23 CC(CC(=O)C(=O)O)C 1P003M6Z [0,1,0,0,0,0|0,0,1]=2 250 B8R0.23 CC(CC(=O)C(=O)[O-])C 1P00361Y [0,1,0,0,0,0|0,0,2]=3 251 B8R0.23 CC(CC(=O)C(=O)[O-])C 1P003P44 [0,1,0,0,0,0|0,0,2]=3 252 B8R0.23 CC(CC(C(=O)C)C)C 1P01E7KG [0,1,0,0,0,0|1,0,2]=4 253 B8R0.23 CC(CN(C(=O)Cl)C)C 1P01BI26 [0,1,0,0,0,0|2,0,1]=4 254 B8R0.23 CC(N(C)C)CC(=O)O 1P00GNQF [0,1,0,0,0,0|1,0,2]=4 255 B8R0.23 CC(N(CC(=O)O)C)C 1P008VQP [0,1,0,0,0,0|1,0,1]=3 256 B8R0.23 CC(N(CC(=O)O)C)C 1P019X3X [0,1,0,0,0,0|1,0,1]=3 257 B8R0.23 CC(NC(=O)C(=C)C)C 1P0013TT [0,1,0,0,0,0|3,0,0]=4 258 B8R0.23 CC(NC(=O)C(=O)O)C 1P002YCH [0,1,0,0,0,0|1,0,0]=2 259 B8R0.23 CC(NC(=O)C(O)C)C 1P00F3UL [0,1,0,0,0,0|2,0,1]=4 260 B8R0.23 CC(OC(=O)C(=C)C)C 1P003RLP [0,1,0,0,0,0|3,0,0]=4 261 B8R0.23 CC(OC(=O)C(=O)C)C 1P0068GB [0,1,0,0,0,0|2,0,0]=3 262 B8R0.23 CC(OC(=O)C(=O)O)C 1P028FMD [0,1,0,0,0,0|1,0,0]=2 263 B8R0.23 CC(OC(=O)[C@H](O)C)C 1P0057K5 [0,1,0,0,0,0|2,0,1]=4 264 B8R0.23 CN(C(=N)NC(=O)N)C 1P01EGJK [0,1,0,0,0,0|3,0,0]=4 265 B8R0.23 CN(C(=O)CC(=O)O)C 1P019SXG [0,1,0,0,0,0|1,0,1]=3 266 B8R0.23 CN(CC(=C)C(=O)O)C 1P00DDT5 [0,1,0,0,0,0|1,0,1]=3 267 B8R0.23 C[C@@H](N(C)C)CC(=O)O 1P0284HT [0,1,0,0,0,0|1,0,2]=4 268 B8R0.23 C[C@H](N(C)C)CC(=O)O 1P027W5B [0,1,0,0,0,0|1,0,2]=4 269 B8R0.23 Cl[C@H](C(=O)O)CC(C)C 1P002WHA [0,1,0,0,0,0|0,0,2]=3 270 B8R0.23 FC(C(=O)O)CC(C)C 1P01DWZS [0,1,0,0,0,0|0,0,2]=3 271 B8R0.23 FC(\C(=C\C(=O)O)\C)F 1P028MZA [0,1,0,0,0,0|2,0,0]=3 272 B8R0.23 NC(C(=O)N)CC(C)C 1P000VF5 [0,1,0,0,0,0|1,0,2]=4 273 B8R0.23 NC(C(=O)N)CC(C)C 1P007HDG [0,1,0,0,0,0|1,0,2]=4 274 B8R0.23 NC(C(=O)O)CC(C)C 1P003QAO [0,1,0,0,0,0|0,0,2]=3 275 B8R0.23 NC(C(C)C)CC(=O)O 1P00382D [0,1,0,0,0,0|0,0,2]=3 276 B8R0.23 NC(C(C)C)CC(=O)O 1P00IWGX [0,1,0,0,0,0|0,0,2]=3 277 B8R0.23 N[C@@H](C(=O)N)CC(C)C 1P001RHC [0,1,0,0,0,0|1,0,2]=4 278 B8R0.23 N[C@@H](C(=O)N)CC(C)C 1P00G3EY [0,1,0,0,0,0|1,0,2]=4 279 B8R0.23 N[C@@H](C(=O)O)CC(C)C 1P007J6D [0,1,0,0,0,0|0,0,2]=3 280 B8R0.23 N[C@@H](C(C)C)CC(=O)O 1P006Z1W [0,1,0,0,0,0|0,0,2]=3 281 B8R0.23 N[C@@H](C(C)C)CC(=O)O 1P00G3E9 [0,1,0,0,0,0|0,0,2]=3 282 B8R0.23 N[C@H](C(=O)N)CC(C)C 1P003RT5 [0,1,0,0,0,0|1,0,2]=4 283 B8R0.23 N[C@H](C(=O)N)CC(C)C 1P006HSO [0,1,0,0,0,0|1,0,2]=4 284 B8R0.23 N[C@H](C(=O)O)CC(C)C 1P00F3FK [0,1,0,0,0,0|0,0,2]=3 285 B8R0.23 N[C@H](C(=O)O)CN(C)C 1P0004TN [0,1,0,0,0,0|1,0,2]=4 286 B8R0.23 N[C@H](C(=O)O)CN(C)C 1P00C92A [0,1,0,0,0,0|1,0,2]=4 287 B8R0.23 N[C@H](C(C)C)CC(=O)O 1P00C07B [0,1,0,0,0,0|0,0,2]=3 288 B8R0.23 N[C@H](C(C)C)CC(=O)O 1P00C7Q3 [0,1,0,0,0,0|0,0,2]=3 289 B8R0.23 OC(=O)CC(=C(C)C)C 1P00B50T [0,1,0,0,0,0|0,0,2]=3 290 B8R0.23 OC(=O)C[C@H]([C@H](O)C)N 1P002G1K [0,1,0,0,0,0|1,0,2]=4 291 B8R0.23 OC(=O)C[C@H]([C@H](O)C)N 1P00C8FV [0,1,0,0,0,0|1,0,2]=4 292 B8R0.23 OC(=O)\C=C(/C(=O)O)\C 1P003I6D [0,1,0,0,0,0|2,0,1]=4 293 B8R0.23 OC(=O)\C=C(/C(=O)O)\C 1P01JGLL [0,1,0,0,0,0|2,0,1]=4 294 B8R0.23 OC(=O)\C=C(\C(=O)O)/C 1P003RXR [0,1,0,0,0,0|2,0,1]=4 295 B8R0.23 OC(=O)\C=C(\C(=O)O)/I 1P01P3QB [0,1,0,0,0,0|2,0,1]=4 296 B8R0.23 OC(C(=O)O)CC(C)C 1P003HV8 [0,1,0,0,0,0|0,0,2]=3 297 B8R0.23 OC(C(=O)O)CN(C)C 1P009R7U [0,1,0,0,0,0|1,0,2]=4 298 B8R0.23 O[C@@H](C(=O)O)CC(C)C 1P00295B [0,1,0,0,0,0|0,0,2]=3 299 B8R0.23 O[C@@H](C(C)C)CC(=O)O 1P005E7Z [0,1,0,0,0,0|0,0,2]=3 300 B8R0.23 O[C@H](C(=O)O)CC(C)C 1P0013SV [0,1,0,0,0,0|0,0,2]=3 301 B8R0.23 O[C@H](C(=O)O)CN(C)C 1P00A9SV [0,1,0,0,0,0|1,0,2]=4 302 B8R0.23 O[C@H](C(C)C)CC(=O)O 1P01AG46 [0,1,0,0,0,0|0,0,2]=3 303 B8R0.23 [15NH2][C@H](C(=O)O)CC(C)C 1P00EE4Y [0,1,0,0,0,0|0,0,2]=3 304 B8R0.29 CC(=CCC(C)(C)C)C 1P0039LQ [0,1,0,0,0,0|2,0,1]=4 305 B8R0.29 CC(=O)CCC(C)(C)C 1P007L85 [0,1,0,0,0,0|1,0,2]=4 306 B8R0.29 CC(=O)CCC(O)(C)C 1P00743F [0,1,0,0,0,0|1,0,2]=4 307 B8R0.29 CC(=O)COC(C)(C)C 1P01HOW4 [0,1,0,0,0,0|2,0,1]=4 308 B8R0.29 CC(=O)CSC(C)(C)C 1P01ABIT [0,1,0,0,0,0|2,0,1]=4 309 B8R0.29 CC(=O)NCC(O)(C)C 1P01BBLR [0,1,0,0,0,0|2,0,1]=4 310 B8R0.29 CC(=O)ONC(C)(C)C 1P003TW7 [0,1,0,0,0,0|3,0,0]=4 311 B8R0.29 CC(=O)SCC(C)(C)C 1P01BGOZ [0,1,0,0,0,0|2,0,1]=4 312 B8R0.29 CC(=O)\C=C\C(F)(F)F 1P009SI0 [0,1,0,0,0,0|3,0,0]=4 313 B8R0.29 CC(COP(=O)(O)C)C 1P007CGM [0,1,0,0,0,0|2,0,1]=4 314 B8R0.29 ClC(=O)COC(C)(C)C 1P01BARD [0,1,0,0,0,0|2,0,1]=4 315 B8R0.29 ClC(=O)OCC(C)(C)C 1P0029RG [0,1,0,0,0,0|2,0,1]=4 316 B8R0.29 ClC(=O)\C=C\C(F)(F)F 1P000GQR [0,1,0,0,0,0|3,0,0]=4 317 B8R0.29 NC(=O)CNC(C)(C)C 1P019ZGZ [0,1,0,0,0,0|2,0,1]=4 318 B8R0.29 NC(=O)NCC(C)(C)C 1P019U5E [0,1,0,0,0,0|2,0,1]=4 319 B8R0.29 NC(=O)NCC(N)(C)C 1P000HSP [0,1,0,0,0,0|2,0,1]=4 320 B8R0.29 OB(\C=C\C(C)(C)C)O 1P004UHT [0,1,0,0,0,0|1,0,1]=3 321 B8R0.29 OC(=O)C#CC(C)(C)C 1P00E2YJ [0,1,0,0,0,0|0,0,2]=3 322 B8R0.29 OC(=O)C#CC(N)(C)C 1P028WK2 [0,1,0,0,0,0|0,0,2]=3 323 B8R0.29 OC(=O)C#CC(O)(C)C 1P006XSJ [0,1,0,0,0,0|0,0,2]=3 324 B8R0.29 OC(=O)C#C[Si](C)(C)C 1P003IS1 [0,1,0,0,0,0|0,1,2]=4 325 B8R0.29 OC(=O)C=CS(=O)(=O)C 1P01A5NL [0,1,0,0,0,0|2,0,0]=3 326 B8R0.29 OC(=O)CCC(C)(C)C 1P008SUK [0,1,0,0,0,0|0,0,2]=3 327 B8R0.29 OC(=O)CCC(F)(C)C 1P028N2G [0,1,0,0,0,0|0,0,2]=3 328 B8R0.29 OC(=O)CCC(F)(F)C 1P019NK4 [0,1,0,0,0,0|1,0,2]=4 329 B8R0.29 OC(=O)CCC(N)(C)C 1P00J22H [0,1,0,0,0,0|0,0,2]=3 330 B8R0.29 OC(=O)CCC(S)(C)C 1P009D4O [0,1,0,0,0,0|0,0,2]=3 331 B8R0.29 OC(=O)CCP(=O)(C)C 1P028OK0 [0,1,0,0,0,0|1,0,2]=4 332 B8R0.29 OC(=O)CC[N+](C)(C)C 1P007RMM [0,1,0,0,0,0|1,0,2]=4 333 B8R0.29 OC(=O)CC[Si](C)(C)C 1P00EB1H [0,1,0,0,0,0|0,1,2]=4 334 B8R0.29 OC(=O)CN=S(=O)(C)C 1P00IWDT [0,1,0,0,0,0|2,0,1]=4 335 B8R0.29 OC(=O)CNC(C)(C)C 1P003TTH [0,1,0,0,0,0|1,0,1]=3 336 B8R0.29 OC(=O)CNC(C)(C)C 1P00E9LM [0,1,0,0,0,0|1,0,1]=3 337 B8R0.29 OC(=O)COC(C)(C)C 1P0010OW [0,1,0,0,0,0|1,0,1]=3 338 B8R0.29 OC(=O)COP(=O)(C)C 1P028VD5 [0,1,0,0,0,0|2,0,1]=4 339 B8R0.29 OC(=O)CSC(C)(C)C 1P00BFTV [0,1,0,0,0,0|1,0,1]=3 340 B8R0.29 OC(=O)\C=C\C(C)(C)C 1P001XCT [0,1,0,0,0,0|0,0,0]=1 341 B8R0.29 OC(=O)\C=C\C(F)(F)F 1P00ICL8 [0,1,0,0,0,0|2,0,0]=3 342 B8R0.29 OC(=O)\C=C\S(=O)(=O)O 1P027WQA [0,1,0,0,0,0|3,0,0]=4 343 B8R0.29 [O-]C(=O)C#CC(F)(C)C 1P027V1L [0,1,0,0,0,0|0,0,3]=4 344 B8R0.29 [O-]C(=O)CCC(O)(C)C 1P01ADH8 [0,1,0,0,0,0|0,0,3]=4 345 B8R0.29 [O-][N+](=O)C=CC(C)(C)C 1P00B0MF [0,1,0,0,0,0|1,0,1]=3 346 B8R1.3 Brc1ccc(=O)oc1 1P002CSH [0,0,0,1,0,0|1,0,2]=4 347 B8R1.3 CC1=CCC(=O)CC1 1P00DEB0 [0,0,0,1,0,0|1,0,2]=4 348 B8R1.3 CC1CCC(=CC1)Cl 1P00I6AA [0,0,0,1,0,0|2,0,1]=4 349 B8R1.3 CC1CCC(=O)C=C1 1P00ILT7 [0,0,0,1,0,0|1,0,0]=2 350 B8R1.3 CC1CCC(=O)CC1 1P0037LL [0,0,0,1,0,0|1,0,2]=4 351 B8R1.3 CC1CCC(=O)CN1 1P01EK9J [0,0,0,1,0,0|2,0,1]=4 352 B8R1.3 CC1CCC(=O)NC1 1P0039A4 [0,0,0,1,0,0|1,0,2]=4 353 B8R1.3 CC1CCC(=O)OC1 1P01HF4J [0,0,0,1,0,0|0,0,2]=3 354 B8R1.3 CC1CNC(=O)CN1 1P00ILNO [0,0,0,1,0,0|2,0,1]=4 355 B8R1.3 CC1COS(=O)OC1 1P01APMK [0,0,0,1,0,0|2,0,1]=4 356 B8R1.3 C[C@@H]1CCC(=O)CN1 1P01JV25 [0,0,0,1,0,0|2,0,1]=4 357 B8R1.3 C[C@@H]1CNC(=O)CN1 1P00IL8K [0,0,0,1,0,0|2,0,1]=4 358 B8R1.3 C[C@@H]1CNC(=O)CN1 1P00J3DR [0,0,0,1,0,0|2,0,1]=4 359 B8R1.3 C[C@H]1CCC(=O)CN1 1P01JVFW [0,0,0,1,0,0|2,0,1]=4 360 B8R1.3 C[C@H]1CNC(=O)CN1 1P00HHZJ [0,0,0,1,0,0|2,0,1]=4 361 B8R1.3 C[C@H]1CNC(=O)CN1 1P00J3EQ [0,0,0,1,0,0|2,0,1]=4 362 B8R1.3 Cc1ccc(=O)[nH]c1 1P0001YV [0,0,0,1,0,0|1,0,2]=4 363 B8R1.3 Cc1ccc(=O)[nH]n1 1P0014ZS [0,0,0,1,0,0|2,0,1]=4 364 B8R1.3 Cc1ccc(=O)[nH]n1 1P003NRL [0,0,0,1,0,0|2,0,1]=4 365 B8R1.3 Cc1ccc(=O)[nH]n1 1P0068H5 [0,0,0,1,0,0|2,0,1]=4 366 B8R1.3 Cc1ccc(cc1)O 1P003U0X [0,0,0,1,0,0|1,0,2]=4 367 B8R1.3 Cc1ccc(cn1)O 1P003K0R [0,0,0,1,0,0|2,0,1]=4 368 B8R1.3 N[C@@H]1CC[C@@H](C=C1)O 1P028DF9 [0,0,0,1,0,0|2,0,1]=4 369 B8R1.3 N[C@@H]1CNC(=O)OC1 1P0283RU [0,0,0,1,0,0|2,0,1]=4 370 B8R1.3 O=C1CCC(OC1)C 1P00DUSV [0,0,0,1,0,0|2,0,1]=4 371 B8R1.3 O=C1CCC(SC1)C 1P00DV16 [0,0,0,1,0,0|2,0,1]=4 372 B8R1.3 O=C1COC(C=C1)O 1P007CTC [0,0,0,1,0,0|3,0,0]=4 373 B8R1.3 O=C1COC(CN1)C 1P000Y2L [0,0,0,1,0,0|2,0,1]=4 374 B8R1.3 O=C1CO[C@@H](CN1)C 1P01B5ZE [0,0,0,1,0,0|2,0,1]=4 375 B8R1.3 O=C1CO[C@H](CN1)C 1P01B5ZD [0,0,0,1,0,0|2,0,1]=4 376 B8R1.3 OC1CCC(C=C1)O 1P01B94O [0,0,0,1,0,0|2,0,1]=4 377 B8R1.3 Oc1ccc(cn1)C 1P0068BS [0,0,0,1,0,0|1,0,2]=4 378 B8R1.20 CC1CC1CC(=O)O 1P01BBI8 [0,0,0,1,0,0|0,0,2]=3 379 B8R1.20 OC(=O)CC1CC1Br 1P02929L [0,0,0,1,0,0|1,0,2]=4 380 B8R1.20 OC(=O)C[C@@H]1C[C@@H]1F 1P0293PG [0,0,0,1,0,0|1,0,2]=4 381 B8R1.20 OC(=O)C[C@@H]1C[C@H]1F 1P027VHQ [0,0,0,1,0,0|1,0,2]=4 382 B8R1.23 BrC1CC(C1)C(=O)O 1P01EBTW [0,0,0,1,0,0|1,0,2]=4 383 B8R1.23 Br[C@@H]1C[C@@H](C1)C(=O)O 1P0209B2 [0,0,0,1,0,0|1,0,2]=4 384 B8R1.23 Br[C@@H]1C[C@H](C1)C(=O)O 1P01EBTD [0,0,0,1,0,0|1,0,2]=4 385 B8R1.23 CC(C1CC(=O)C1)C 1P019ZKQ [0,0,0,1,0,0|1,0,2]=4 386 B8R1.23 CC(C1CC(=O)N1)C 1P00GFT6 [0,0,0,1,0,0|1,0,2]=4 387 B8R1.23 CC1CC(C1)C(=O)C 1P00CIPH [0,0,0,1,0,0|1,0,2]=4 388 B8R1.23 CC1CC(C1)C(=O)O 1P00380T [0,0,0,1,0,0|0,0,2]=3 389 B8R1.23 CC1CC(N1)C(=O)O 1P01DZCF [0,0,0,1,0,0|1,0,1]=3 390 B8R1.23 CC1CN(C1)C(=O)Cl 1P0286O3 [0,0,0,1,0,0|2,0,1]=4 391 B8R1.23 CN1CC(C1)C(=O)O 1P004S1X [0,0,0,1,0,0|1,0,2]=4 392 B8R1.23 C[C@@H]1C[C@@H](C1)C(=O)O 1P00H3P5 [0,0,0,1,0,0|0,0,2]=3 393 B8R1.23 C[C@@H]1C[C@@H](N1)C(=O)O 1P02074D [0,0,0,1,0,0|1,0,1]=3 394 B8R1.23 C[C@@H]1C[C@H](C1)C(=O)O 1P00IF9M [0,0,0,1,0,0|0,0,2]=3 395 B8R1.23 C[C@H]1C[C@@H](N1)C(=O)O 1P02074N [0,0,0,1,0,0|1,0,1]=3 396 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O 1P00PLYX [0,0,0,1,0,0|1,0,1]=3 397 B8R1.23 ClC1CC(C1)C(=O)O 1P007FK6 [0,0,0,1,0,0|1,0,2]=4 398 B8R1.23 Cl[C@@H]1C[C@H](C1)C(=O)O 1P00I7FY [0,0,0,1,0,0|1,0,2]=4 399 B8R1.23 FC1CC(C1)C(=O)O 1P009B1H [0,0,0,1,0,0|1,0,2]=4 400 B8R1.23 F[C@@H]1C[C@@H](C1)C(=O)O 1P000LL1 [0,0,0,1,0,0|1,0,2]=4 401 B8R1.23 F[C@@H]1C[C@H](C1)C(=O)O 1P000LL0 [0,0,0,1,0,0|1,0,2]=4 402 B8R1.23 IC1CC(C1)C(=O)O 1P0285A2 [0,0,0,1,0,0|1,0,2]=4 403 B8R1.23 NC1CC(C1)C(=O)O 1P000QSP [0,0,0,1,0,0|1,0,2]=4 404 B8R1.23 N[C@@H]1C[C@@H](C1)C(=O)O 1P003A1D [0,0,0,1,0,0|1,0,2]=4 405 B8R1.23 N[C@@H]1C[C@@H](C1)C(=O)O 1P005YM8 [0,0,0,1,0,0|1,0,2]=4 406 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O 1P005YMF [0,0,0,1,0,0|1,0,2]=4 407 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O 1P008H8O [0,0,0,1,0,0|1,0,2]=4 408 B8R1.23 OC1CC(C1)C(=O)O 1P0074YT [0,0,0,1,0,0|1,0,2]=4 409 B8R1.23 O[C@@H]1C[C@@H](C1)C(=O)O 1P00DGWW [0,0,0,1,0,0|1,0,2]=4 410 B8R1.23 O[C@@H]1C[C@H](C1)C(=O)O 1P000TTS [0,0,0,1,0,0|1,0,2]=4 411 B8R1.23 SC1CC(C1)C(=O)O 1P028CJZ [0,0,0,1,0,0|1,0,2]=4 412 B8R1.23 S[C@@H]1C[C@H](C1)C(=O)O 1P0284TI [0,0,0,1,0,0|1,0,2]=4 413 B8R1.35 CC(=O)CCC1CC1 1P01AD57 [0,0,0,1,0,0|1,0,2]=4 414 B8R1.35 ClC(=O)NCC1CC1 1P0284IH [0,0,0,1,0,0|2,0,1]=4 415 B8R1.35 ClC(=O)OCC1CC1 1P01ADOW [0,0,0,1,0,0|2,0,1]=4 416 B8R1.35 NC(=O)CCC1CC1 1P004VRG [0,0,0,1,0,0|1,0,2]=4 417 B8R1.35 NC(=O)NCC1CC1 1P00F5EJ [0,0,0,1,0,0|2,0,1]=4 418 B8R1.35 OB(\C=C\C1CC1)O 1P00IGKK [0,0,0,1,0,0|1,0,1]=3 419 B8R1.35 OC(=O)C#CC1CC1 1P008R3C [0,0,0,1,0,0|0,0,2]=3 420 B8R1.35 OC(=O)C=CC1CC1 1P019FIA [0,0,0,1,0,0|0,0,0]=1 421 B8R1.35 OC(=O)CCC1CC1 1P00IAHR [0,0,0,1,0,0|0,0,2]=3 422 B8R1.35 OC(=O)CNC1CC1 1P007JIG [0,0,0,1,0,0|1,0,1]=3 423 B8R1.35 OC(=O)CNC1CC1 1P019V79 [0,0,0,1,0,0|1,0,1]=3 424 B8R1.35 OC(=O)COC1CC1 1P01BICC [0,0,0,1,0,0|1,0,1]=3 425 B8R1.35 OC(=O)CSC1CC1 1P01APH1 [0,0,0,1,0,0|1,0,1]=3 426 B8R1.35 OC(=O)\C=C\C1CC1 1P00EM8D [0,0,0,1,0,0|0,0,0]=1 427 B8R1.35 [O-][N+](=O)C=CC1CC1 1P019SXQ [0,0,0,1,0,0|1,0,1]=3 428 B8R1.51 BrC1C=CS(=O)(=O)C1 1P00DCN2 [0,0,0,1,0,0|2,0,1]=4 429 B8R1.51 C=C1COC(O1)(C)C 1P01JPS5 [0,0,0,1,0,0|2,0,1]=4 430 B8R1.51 ClC1C=CS(=O)(=O)C1 1P0071A4 [0,0,0,1,0,0|2,0,1]=4 431 B8R1.51 NC1=NCC(O1)(C)C 1P01DXMR [0,0,0,1,0,0|2,0,1]=4 432 B8R1.51 NC1C=CS(=O)(=O)C1 1P00J3SC [0,0,0,1,0,0|2,0,1]=4 433 B8R1.51 N[C@@H]1C=CS(=O)(=O)C1 1P0296U3 [0,0,0,1,0,0|2,0,1]=4 434 B8R1.51 O=C1C=CC(C1)(C)C 1P003KWE [0,0,0,1,0,0|1,0,0]=2 435 B8R1.51 O=C1C=CC(N1)(C)C 1P028UO3 [0,0,0,1,0,0|1,0,0]=2 436 B8R1.51 O=C1CCC(C1)(C)C 1P002AAG [0,0,0,1,0,0|1,0,2]=4 437 B8R1.51 O=C1CCC(N1)(C)C 1P0034MN [0,0,0,1,0,0|1,0,2]=4 438 B8R1.51 O=C1CCC(O1)(C)C 1P007IPY [0,0,0,1,0,0|0,0,2]=3 439 B8R1.51 O=C1CNC(C1)(C)C 1P01A3P4 [0,0,0,1,0,0|2,0,1]=4 440 B8R1.51 O=C1CNC(N1)(C)C 1P021LC1 [0,0,0,1,0,0|2,0,1]=4 441 B8R1.51 O=C1COC(C1)(C)C 1P0039TO [0,0,0,1,0,0|2,0,1]=4 442 B8R1.51 O=C1COC(O1)(C)C 1P003FRW [0,0,0,1,0,0|1,0,1]=3 443 B8R1.51 O=C1NCC(C1)(C)C 1P003KWL [0,0,0,1,0,0|2,0,1]=4 444 B8R1.51 O=C1NCC(N1)(C)C 1P002P2W [0,0,0,1,0,0|2,0,1]=4 445 B8R1.51 O=C1NCC(O1)(C)C 1P00HCTB [0,0,0,1,0,0|1,0,1]=3 446 B8R1.51 O=C1NOC(C1)(C)C 1P01DX07 [0,0,0,1,0,0|3,0,0]=4 447 B8R1.51 O=C1OCC(C1)(C)C 1P0019BQ [0,0,0,1,0,0|2,0,1]=4 448 B8R1.51 O=C1OCC(N1)(C)C 1P003KWQ [0,0,0,1,0,0|2,0,1]=4 449 B8R1.51 O=C1SCC(N1)(C)C 1P028YXF [0,0,0,1,0,0|2,0,1]=4 450 B8R1.77 CC(=O)C1CC1(C)C 1P004M9O [0,0,0,1,0,0|1,0,2]=4 451 B8R1.77 CC1(Br)CC1C(=O)O 1P01B290 [0,0,0,1,0,0|1,0,2]=4 452 B8R1.77 ClC(=O)C1CC1(C)C 1P00DVL5 [0,0,0,1,0,0|1,0,2]=4 453 B8R1.77 NC(=O)C1CC1(C)C 1P0021R3 [0,0,0,1,0,0|1,0,2]=4 454 B8R1.77 NC(=O)[C@@H]1CC1(C)C 1P003CKE [0,0,0,1,0,0|1,0,2]=4 455 B8R1.77 NC(=O)[C@H]1CC1(C)C 1P003CWT [0,0,0,1,0,0|1,0,2]=4 456 B8R1.77 OC(=O)C1CC1(C)C 1P00371E [0,0,0,1,0,0|0,0,2]=3 457 B8R1.77 OC(=O)[C@H]1CC1(C)C 1P001DYP [0,0,0,1,0,0|0,0,2]=3 458 B6R0.2 BrC(=CC(=O)O)Br 1P00AZTD [0,0,0,0,1,0|2,0,1]=4 459 B6R0.2 CC(=C)CC(=O)O 1P001WA5 [0,0,0,0,1,0|0,0,3]=4 460 B6R0.2 CC(=CC(=O)C)C 1P001G6Y [0,0,0,0,1,0|1,0,1]=3 461 B6R0.2 CC(=CC(=O)C)O 1P001CNO [0,0,0,0,1,0|2,0,1]=4 462 B6R0.2 CC(=CC(=O)Cl)C 1P003K7P [0,0,0,0,1,0|1,0,1]=3 463 B6R0.2 CC(=CC(=O)N)C 1P01BER2 [0,0,0,0,1,0|1,0,1]=3 464 B6R0.2 CC(=CC(=O)O)C 1P0033YA [0,0,0,0,1,0|0,0,1]=2 465 B6R0.2 CC(=CC(=O)O)Cl 1P00DGVA [0,0,0,0,1,0|1,0,1]=3 466 B6R0.2 CC(=CC(=O)O)I 1P01JX6Y [0,0,0,0,1,0|1,0,1]=3 467 B6R0.2 CC(=CC(O)C)C 1P0074MI [0,0,0,0,1,0|1,0,2]=4 468 B6R0.2 CC(=C[N+](=O)[O-])C 1P00HZ2E [0,0,0,0,1,0|1,0,2]=4 469 B6R0.2 CC(C=C(C)C)C 1P003GAP [0,0,0,0,1,0|2,0,0]=3 470 B6R0.2 CC(CC(=C)Br)C 1P0279S8 [0,0,0,0,1,0|2,0,1]=4 471 B6R0.2 CC(CC(=C)C)C 1P003GAN [0,0,0,0,1,0|2,0,1]=4 472 B6R0.2 CC(CC(=N)N)C 1P00EK2S [0,0,0,0,1,0|2,0,1]=4 473 B6R0.2 CC(CC(=O)C)N 1P00J23J [0,0,0,0,1,0|2,0,1]=4 474 B6R0.2 CC(CC(=O)C)O 1P00723Y [0,0,0,0,1,0|2,0,1]=4 475 B6R0.2 CC(CC(=O)Cl)C 1P0035J3 [0,0,0,0,1,0|1,0,1]=3 476 B6R0.2 CC(CC(=O)Cl)Cl 1P01BTXW [0,0,0,0,1,0|2,0,1]=4 477 B6R0.2 CC(CC(=O)F)C 1P01B7CV [0,0,0,0,1,0|1,0,1]=3 478 B6R0.2 CC(CC(=O)N)C 1P003RMF [0,0,0,0,1,0|1,0,1]=3 479 B6R0.2 CC(CC(=O)N)Cl 1P028G15 [0,0,0,0,1,0|2,0,1]=4 480 B6R0.2 CC(CC(=O)N)N 1P01C1RK [0,0,0,0,1,0|2,0,1]=4 481 B6R0.2 CC(CC(=O)N)O 1P007O9T [0,0,0,0,1,0|2,0,1]=4 482 B6R0.2 CC(CC(=O)O)Br 1P002SV2 [0,0,0,0,1,0|1,0,1]=3 483 B6R0.2 CC(CC(=O)O)C 1P003RMG [0,0,0,0,1,0|0,0,1]=2 484 B6R0.2 CC(CC(=O)O)Cl 1P003JRA [0,0,0,0,1,0|1,0,1]=3 485 B6R0.2 CC(CC(=O)O)F 1P028OF4 [0,0,0,0,1,0|1,0,1]=3 486 B6R0.2 CC(CC(=O)O)N 1P003JE2 [0,0,0,0,1,0|1,0,1]=3 487 B6R0.2 CC(CC(=O)O)O 1P003K12 [0,0,0,0,1,0|1,0,1]=3 488 B6R0.2 CC(CC(=O)O)S 1P002TTH [0,0,0,0,1,0|1,0,1]=3 489 B6R0.2 CC(CC(=S)N)C 1P00AR7D [0,0,0,0,1,0|1,1,1]=4 490 B6R0.2 CC(CC(O)C)C 1P0038GQ [0,0,0,0,1,0|1,0,2]=4 491 B6R0.2 CC(CS(=O)Cl)C 1P01C9KJ [0,0,0,0,1,0|2,0,1]=4 492 B6R0.2 CC(CS(=O)[O-])C 1P01BCHN [0,0,0,0,1,0|1,0,2]=4 493 B6R0.2 CC(C[C@@H](O)C)C 1P001LS9 [0,0,0,0,1,0|1,0,2]=4 494 B6R0.2 CC(C[C@H](O)C)C 1P001V2I [0,0,0,0,1,0|1,0,2]=4 495 B6R0.2 CC(C[N+](=O)[O-])C 1P00F3HC [0,0,0,0,1,0|1,0,2]=4 496 B6R0.2 CC(N=C(C)C)C 1P00CKF9 [0,0,0,0,1,0|3,0,0]=4 497 B6R0.2 CC(NC(=N)N)C 1P0055O6 [0,0,0,0,1,0|3,0,0]=4 498 B6R0.2 CC(NC(=O)C)C 1P0084JZ [0,0,0,0,1,0|2,0,0]=3 499 B6R0.2 CC(NC(=O)Cl)C 1P01B38E [0,0,0,0,1,0|2,0,0]=3 500 B6R0.2 CC(NC(=O)N)C 1P005LHL [0,0,0,0,1,0|2,0,0]=3 501 B6R0.2 CC(NC(=S)C)C 1P01A5JR [0,0,0,0,1,0|2,1,0]=4 502 B6R0.2 CC(NC(=S)N)C 1P00APGI [0,0,0,0,1,0|2,1,0]=4 503 B6R0.2 CC(OC(=O)C)Br 1P00336T [0,0,0,0,1,0|3,0,0]=4 504 B6R0.2 CC(OC(=O)C)C 1P0036E9 [0,0,0,0,1,0|2,0,0]=3 505 B6R0.2 CC(OC(=O)C)Cl 1P00EN9H [0,0,0,0,1,0|3,0,0]=4 506 B6R0.2 CC(OC(=O)Cl)Cl 1P003528 [0,0,0,0,1,0|3,0,0]=4 507 B6R0.2 CC(OC(=O)N)C 1P00209N [0,0,0,0,1,0|2,0,0]=3 508 B6R0.2 CC(OC(=S)[S-])C 1P001CEW [0,0,0,0,1,0|1,2,0]=4 509 B6R0.2 CC(OC(=S)[S-])C 1P001CEX [0,0,0,0,1,0|1,2,0]=4 510 B6R0.2 CC(O[N+](=O)[O-])C 1P0039DL [0,0,0,0,1,0|2,0,1]=4 511 B6R0.2 CC(SC(=N)N)C 1P00BYWC [0,0,0,0,1,0|3,0,0]=4 512 B6R0.2 CC(SC(=O)Cl)C 1P001A85 [0,0,0,0,1,0|2,0,0]=3 513 B6R0.2 CN(CC(=O)C)C 1P003DJS [0,0,0,0,1,0|2,0,1]=4 514 B6R0.2 CN(CC(=O)Cl)C 1P003Q3N [0,0,0,0,1,0|2,0,1]=4 515 B6R0.2 CN(CC(=O)N)C 1P01BFB9 [0,0,0,0,1,0|2,0,1]=4 516 B6R0.2 CN(CC(=O)O)C 1P002QBC [0,0,0,0,1,0|1,0,1]=3 517 B6R0.2 CN(CC(=O)O)C 1P003T1T [0,0,0,0,1,0|1,0,1]=3 518 B6R0.2 C[C@@H](CC(=O)N)O 1P028625 [0,0,0,0,1,0|2,0,1]=4 519 B6R0.2 C[C@@H](CC(=O)O)F 1P028OKF [0,0,0,0,1,0|1,0,1]=3 520 B6R0.2 C[C@@H](CC(=O)O)N 1P0036AK [0,0,0,0,1,0|1,0,1]=3 521 B6R0.2 C[C@@H](CC(=O)O)N 1P00IAVS [0,0,0,0,1,0|1,0,1]=3 522 B6R0.2 C[C@@H](CC(=O)O)O 1P003ANQ [0,0,0,0,1,0|1,0,1]=3 523 B6R0.2 C[C@H](CC(=O)N)O 1P027UQQ [0,0,0,0,1,0|2,0,1]=4 524 B6R0.2 C[C@H](CC(=O)O)N 1P003CQA [0,0,0,0,1,0|1,0,1]=3 525 B6R0.2 C[C@H](CC(=O)O)N 1P00EB6J [0,0,0,0,1,0|1,0,1]=3 526 B6R0.2 C\C(=C/C(=O)C)\N 1P008UX7 [0,0,0,0,1,0|2,0,1]=4 527 B6R0.2 C\C(=C/C(=O)C)\O 1P003CFY [0,0,0,0,1,0|2,0,1]=4 528 B6R0.2 C\C(=C\C(=O)O)\I 1P00CS58 [0,0,0,0,1,0|1,0,1]=3 529 B6R0.2 ClC(=CC(=O)O)Cl 1P00AZBK [0,0,0,0,1,0|2,0,1]=4 530 B6R0.2 ClC(CC(=O)O)Cl 1P027TVM [0,0,0,0,1,0|2,0,1]=4 531 B6R0.2 FC(CC(=O)O)F 1P001O4C [0,0,0,0,1,0|2,0,1]=4 532 B6R0.2 OB(C=C(C)C)O 1P001DO8 [0,0,0,0,1,0|1,0,2]=4 533 B6R0.2 OB(CC(C)C)O 1P0035I8 [0,0,0,0,1,0|1,0,2]=4 534 B6R0.2 [O-]C(=CC(=O)C)C 1P001DMI [0,0,0,0,1,0|2,0,1]=4 535 B6R0.2 [O-]C(=CC(=O)C)C 1P007K19 [0,0,0,0,1,0|2,0,1]=4 536 B6R0.2 [O-]C(=O)CC(O)C 1P001MOO [0,0,0,0,1,0|1,0,2]=4 537 B6R0.2 [O-]C(=O)C[C@@H](O)C 1P000XO5 [0,0,0,0,1,0|1,0,2]=4 538 B6R0.2 [O-]C(=O)C[C@H](O)C 1P0032U9 [0,0,0,0,1,0|1,0,2]=4 539 B6R0.2 [O-]C(=O)C[S+](C)C 1P00I931 [0,0,0,0,1,0|1,0,2]=4 540 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P000730 [0,0,0,0,1,0|2,0,1]=4 541 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P000KUZ [0,0,0,0,1,0|2,0,1]=4 542 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P001JBG [0,0,0,0,1,0|2,0,1]=4 543 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P001O7Y [0,0,0,0,1,0|2,0,1]=4 544 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P001P65 [0,0,0,0,1,0|2,0,1]=4 545 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P0034ZO [0,0,0,0,1,0|2,0,1]=4 546 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P0035I1 [0,0,0,0,1,0|2,0,1]=4 547 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P003A2R [0,0,0,0,1,0|2,0,1]=4 548 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P003RWL [0,0,0,0,1,0|2,0,1]=4 549 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00AP2Z [0,0,0,0,1,0|2,0,1]=4 550 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00HXES [0,0,0,0,1,0|2,0,1]=4 551 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00I3HS [0,0,0,0,1,0|2,0,1]=4 552 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00IKWB [0,0,0,0,1,0|2,0,1]=4 553 B6R0.2 [O-]\C(=C\C(=O)C)\C 1P001CNL [0,0,0,0,1,0|2,0,1]=4 554 B6R0.2 [O-]\C(=C\C(=O)C)\C 1P00IM16 [0,0,0,0,1,0|2,0,1]=4 555 B8R0.28 CC(=C\C=C\C(=O)C)C 1P003NR1 [0,0,0,0,0,1|1,0,1]=3 556 B8R0.28 CC(=O)CCC=C(C)C 1P003NR6 [0,0,0,0,0,1|1,0,2]=4 557 B8R0.28 CC(=O)OCC=C(C)C 1P000INH [0,0,0,0,0,1|1,0,2]=4 558 B8R0.28 CC(CCCC(=O)C)C 1P003NRC [0,0,0,0,0,1|1,0,2]=4 559 B8R0.28 CC(CCCC(=O)O)N 1P01A3UJ [0,0,0,0,0,1|1,0,2]=4 560 B8R0.28 CC(CCCC(=O)O)O 1P003N9B [0,0,0,0,0,1|1,0,2]=4 561 B8R0.28 CC(CCNC(=O)C)C 1P0038AX [0,0,0,0,0,1|1,0,2]=4 562 B8R0.28 CC(CCNC(=O)N)C 1P00EZOW [0,0,0,0,0,1|1,0,2]=4 563 B8R0.28 CC(CCOC(=O)C)C 1P000KEB [0,0,0,0,0,1|1,0,2]=4 564 B8R0.28 CC(CCOC(=O)Cl)C 1P00EM5G [0,0,0,0,0,1|1,0,2]=4 565 B8R0.28 CC(CNC=C(C)C)C 1P01C4AK [0,0,0,0,0,1|2,0,1]=4 566 B8R0.28 CC(CNCC(=O)C)C 1P01C40Z [0,0,0,0,0,1|1,0,2]=4 567 B8R0.28 CC(CNCC(=O)N)C 1P019LYO [0,0,0,0,0,1|1,0,2]=4 568 B8R0.28 CC(CNCC(=O)O)C 1P007IVW [0,0,0,0,0,1|0,0,2]=3 569 B8R0.28 CC(CNCC(=O)O)C 1P01AAQB [0,0,0,0,0,1|0,0,2]=3 570 B8R0.28 CC(COCC(=O)O)N 1P028TSW [0,0,0,0,0,1|1,0,2]=4 571 B8R0.28 CC(CSCC(=O)C)C 1P01AH6M [0,0,0,0,0,1|1,0,2]=4 572 B8R0.28 CC(CSCC(=O)O)C 1P00BWG5 [0,0,0,0,0,1|0,0,2]=3 573 B8R0.28 CC(NCCC(=O)N)C 1P002DMJ [0,0,0,0,0,1|1,0,2]=4 574 B8R0.28 CC(NCCC(=O)O)C 1P00I55W [0,0,0,0,0,1|0,0,2]=3 575 B8R0.28 CC(OCCC(=O)Cl)C 1P01B23N [0,0,0,0,0,1|1,0,2]=4 576 B8R0.28 CC(OCCC(=O)O)C 1P019MSC [0,0,0,0,0,1|0,0,2]=3 577 B8R0.28 CC(\C=C\CC(=O)O)C 1P01IP9Q [0,0,0,0,0,1|0,0,0]=1 578 B8R0.28 CN(CC#CC(=O)O)C 1P01NGIB [0,0,0,0,0,1|1,0,2]=4 579 B8R0.28 CN(CC=CC(=O)O)C 1P003KOC [0,0,0,0,0,1|1,0,0]=2 580 B8R0.28 CN(CCCC(=O)O)C 1P0034HC [0,0,0,0,0,1|1,0,2]=4 581 B8R0.28 CN(CCCC(=O)O)C 1P0034HD [0,0,0,0,0,1|1,0,2]=4 582 B8R0.28 CN(C\C=C/C(=O)[O-])C 1P023U1C [0,0,0,0,0,1|1,0,1]=3 583 B8R0.28 CN(C\C=C\C(=O)O)C 1P001MAY [0,0,0,0,0,1|1,0,0]=2 584 B8R0.28 CN(C\C=C\C(=O)O)C 1P0036C7 [0,0,0,0,0,1|1,0,0]=2 585 B8R0.28 OC(=O)CC=CC(=O)O 1P003R8C [0,0,0,0,0,1|2,0,1]=4 586 B8R0.28 OC(=O)CCC=C(C)C 1P00EDMO [0,0,0,0,0,1|0,0,2]=3 587 B8R0.28 OC(=O)C\C=C\C(=O)O 1P003R8D [0,0,0,0,0,1|2,0,1]=4 588 B5R0.1 C=CCN(C)C 1P003T1I [2,0,0,0,0,0|1,0,1]=4 589 B5R0.1 C=COC(C)C 1P00369A [2,0,0,0,0,0|1,0,0]=3 590 B5R0.1 CC#CC(=O)O 1P0037I0 [2,0,0,0,0,0|0,0,2]=4 591 B5R0.1 CC(=O)\C=C\Cl 1P0072VO [2,0,0,0,0,0|2,0,0]=4 592 B5R0.1 CC(C=NO)C 1P00AOPK [2,0,0,0,0,0|1,0,0]=3 593 B5R0.1 CC(CC=C)Br 1P00CRRM [2,0,0,0,0,0|1,0,1]=4 594 B5R0.1 CC(CC=C)I 1P027V5I [2,0,0,0,0,0|1,0,1]=4 595 B5R0.1 CC(CC=C)N 1P01AJI0 [2,0,0,0,0,0|1,0,1]=4 596 B5R0.1 CC(CC=C)O 1P003MEX [2,0,0,0,0,0|1,0,1]=4 597 B5R0.1 CC(N=C=O)C 1P0027IJ [2,0,0,0,0,0|1,0,1]=4 598 B5R0.1 CC(\C=N\O)C 1P01GJ99 [2,0,0,0,0,0|1,0,0]=3 599 B5R0.1 CC=CC(=O)C 1P0039SF [2,0,0,0,0,0|1,0,0]=3 600 B5R0.1 CC=CC(=O)N 1P002NE7 [2,0,0,0,0,0|1,0,0]=3 601 B5R0.1 CCCC(=O)C 1P0038PH [2,0,0,0,0,0|1,0,1]=4 602 B5R0.1 CCCC(=O)N 1P003P36 [2,0,0,0,0,0|1,0,1]=4 603 B5R0.1 CCCC(=O)O 1P0038GU [2,0,0,0,0,0|0,0,1]=3 604 B5R0.1 CCCC(=O)[O-] 1P00EBJ7 [2,0,0,0,0,0|0,0,2]=4 605 B5R0.1 CCCC(=O)[O-] 1P01XCJO [2,0,0,0,0,0|0,0,2]=4 606 B5R0.1 CCCC(=S)O 1P003K88 [2,0,0,0,0,0|0,1,1]=4 607 B5R0.1 CCNC(=O)C 1P003TGP [2,0,0,0,0,0|2,0,0]=4 608 B5R0.1 CCNC(=O)N 1P0035E0 [2,0,0,0,0,0|2,0,0]=4 609 B5R0.1 CCOC(=O)C 1P001G6Z [2,0,0,0,0,0|2,0,0]=4 610 B5R0.1 CCOC(=O)N 1P003691 [2,0,0,0,0,0|2,0,0]=4 611 B5R0.1 CNCC(=O)O 1P003UNZ [2,0,0,0,0,0|1,0,1]=4 612 B5R0.1 CNCC(=O)O 1P003UO1 [2,0,0,0,0,0|1,0,1]=4 613 B5R0.1 COCC(=O)O 1P0035LK [2,0,0,0,0,0|1,0,1]=4 614 B5R0.1 CSCC(=O)O 1P003CI8 [2,0,0,0,0,0|1,0,1]=4 615 B5R0.1 C[C@@H](CC=C)O 1P003CY3 [2,0,0,0,0,0|1,0,1]=4 616 B5R0.1 C[C@H](CC=C)O 1P0032UG [2,0,0,0,0,0|1,0,1]=4 617 B5R0.1 C\C=C\C(=O)C 1P0032ET [2,0,0,0,0,0|1,0,0]=3 618 B5R0.1 C\C=C\C(=O)Cl 1P00359Z [2,0,0,0,0,0|1,0,0]=3 619 B5R0.1 C\C=C\C(=O)N 1P00EF6M [2,0,0,0,0,0|1,0,0]=3 620 B5R0.1 C\C=C\C(=O)O 1P00353L [2,0,0,0,0,0|0,0,0]=2 621 B5R0.1 C\C=C\C(O)C 1P003KBH [2,0,0,0,0,0|1,0,1]=4 622 B5R0.1 NC(=O)\C=C/Br 1P028CL9 [2,0,0,0,0,0|2,0,0]=4 623 B5R0.1 NC(=O)\C=C\Cl 1P01EWSO [2,0,0,0,0,0|2,0,0]=4 624 B5R0.1 NCCC(=O)O 1P00369Y [2,0,0,0,0,0|1,0,1]=4 625 B5R0.1 O=CC=C(C)C 1P00347P [2,0,0,0,0,0|0,0,1]=3 626 B5R0.1 O=CCC(C)C 1P003938 [2,0,0,0,0,0|0,0,1]=3 627 B5R0.1 O=CCN(C)C 1P000R2Q [2,0,0,0,0,0|1,0,1]=4 628 B5R0.1 O=CCN(C)C 1P001GSU [2,0,0,0,0,0|1,0,1]=4 629 B5R0.1 O=CNC(C)C 1P00BBY6 [2,0,0,0,0,0|1,0,0]=3 630 B5R0.1 O=CNN(C)C 1P00C6WA [2,0,0,0,0,0|2,0,0]=4 631 B5R0.1 OB(\C=C\C)O 1P0032U0 [2,0,0,0,0,0|1,0,1]=4 632 B5R0.1 OC(=O)C=C=C 1P028O5X [2,0,0,0,0,0|0,0,2]=4 633 B5R0.1 OC(=O)CC=C 1P00369B [2,0,0,0,0,0|0,0,2]=4 634 B5R0.1 OC(=O)CCBr 1P003JLR [2,0,0,0,0,0|1,0,1]=4 635 B5R0.1 OC(=O)CCCl 1P003JS1 [2,0,0,0,0,0|1,0,1]=4 636 B5R0.1 OC(=O)CCF 1P00DG5V [2,0,0,0,0,0|1,0,1]=4 637 B5R0.1 OC(=O)CCI 1P001G70 [2,0,0,0,0,0|1,0,1]=4 638 B5R0.1 OC(=O)CCS 1P00347D [2,0,0,0,0,0|1,0,1]=4 639 B5R0.1 OC(=O)\C=C/Br 1P001VXS [2,0,0,0,0,0|1,0,0]=3 640 B5R0.1 OC(=O)\C=C/Cl 1P001VXR [2,0,0,0,0,0|1,0,0]=3 641 B5R0.1 OC(=O)\C=C/I 1P00E99X [2,0,0,0,0,0|1,0,0]=3 642 B5R0.1 OC(=O)\C=C\Br 1P003CH9 [2,0,0,0,0,0|1,0,0]=3 643 B5R0.1 OC(=O)\C=C\I 1P003CHA [2,0,0,0,0,0|1,0,0]=3 644 B5R0.1 OCC=C(C)C 1P003K5R [2,0,0,0,0,0|0,0,2]=4 645 B5R0.1 OCCC(=O)O 1P00387S [2,0,0,0,0,0|1,0,1]=4 646 B5R0.1 OCCC(C)C 1P000KDR [2,0,0,0,0,0|0,0,2]=4 647 B5R0.1 SCCC(=O)O 1P007OUY [2,0,0,0,0,0|1,0,1]=4 648 B5R0.1 [O-]C(=O)CCC 1P001OVQ [2,0,0,0,0,0|0,0,2]=4 649 B5R0.1 [O-]C=CC(=O)C 1P028582 [2,0,0,0,0,0|2,0,0]=4 650 B5R0.1 [O-][N+](=O)C=CC 1P00AT3U [2,0,0,0,0,0|1,0,1]=4 651 B5R0.2 CCC#CC=O 1P01IEPI [2,0,0,0,0,0|0,0,2]=4 652 B5R0.2 CCC=C=CBr 1P028KXN [2,0,0,0,0,0|1,0,1]=4 653 B5R0.2 CCC=CCN 1P01AV04 [2,0,0,0,0,0|1,0,1]=4 654 B5R0.2 CCCCC=O 1P003VQU [2,0,0,0,0,0|0,0,2]=4 655 B5R0.2 CCOC=CC 1P003ER0 [2,0,0,0,0,0|2,0,0]=4 656 B5R0.2 CCO\C=C/Br 1P00BCUN [2,0,0,0,0,0|2,0,0]=4 657 B5R0.2 CCSCC=O 1P01AC7G [2,0,0,0,0,0|1,0,1]=4 658 B5R0.2 CC\C=C/CBr 1P005NSO [2,0,0,0,0,0|1,0,1]=4 659 B5R0.2 CC\C=C/CN 1P028U5O [2,0,0,0,0,0|1,0,1]=4 660 B5R0.2 CC\C=C/CO 1P001Q0D [2,0,0,0,0,0|0,0,1]=3 661 B5R0.2 CC\C=C\C=O 1P001Q0F [2,0,0,0,0,0|0,0,0]=2 662 B5R0.2 NC\C=C\C=C 1P01FIJ9 [2,0,0,0,0,0|2,0,0]=4 663 B5R0.2 OCC=CCO 1P00G3JG [2,0,0,0,0,0|1,0,1]=4 664 B5R0.2 OC\C=C/CO 1P0032YH [2,0,0,0,0,0|1,0,1]=4 665 B5R0.2 OC\C=C\CCl 1P01GA5D [2,0,0,0,0,0|1,0,1]=4 666 B5R0.2 OC\C=C\CO 1P0033NQ [2,0,0,0,0,0|1,0,1]=4 667 B7R0.2 C=CC(=O)NC(C)C 1P003TLD [1,1,0,0,0,0|2,0,0]=4 668 B7R0.2 C=CC(=O)OC(C)C 1P00FCDR [1,1,0,0,0,0|2,0,0]=4 669 B7R0.2 CC(CC(=NO)N)C 1P019XUL [1,1,0,0,0,0|1,0,1]=4 670 B7R0.2 CC(CC)CC(=O)O 1P00359B [1,1,0,0,0,0|0,0,2]=4 671 B7R0.2 CCC(=O)CC(=O)C 1P00BDMU [1,1,0,0,0,0|1,0,1]=4 672 B7R0.2 CCC(=O)OC(=O)C 1P000VFI [1,1,0,0,0,0|2,0,0]=4 673 B7R0.2 CCC(CC(=O)O)N 1P003ANY [1,1,0,0,0,0|0,0,2]=4 674 B7R0.2 CCC(CC(=O)O)N 1P00AQ4O [1,1,0,0,0,0|0,0,2]=4 675 B7R0.2 CCC(CC(=O)O)O 1P0007RC [1,1,0,0,0,0|0,0,2]=4 676 B7R0.2 CCS(=O)CC(=O)O 1P00EEBB [1,1,0,0,0,0|1,0,1]=4 677 B7R0.2 CC[C@@H](CC(=O)O)N 1P001J1T [1,1,0,0,0,0|0,0,2]=4 678 B7R0.2 CC[C@@H](CC(=O)O)N 1P01DTYS [1,1,0,0,0,0|0,0,2]=4 679 B7R0.2 CC[C@@H](CC(=O)O)O 1P01EKL5 [1,1,0,0,0,0|0,0,2]=4 680 B7R0.2 CC[C@H](CC(=O)O)N 1P00IJD7 [1,1,0,0,0,0|0,0,2]=4 681 B7R0.2 CC[C@H](CC(=O)O)O 1P01EKMU [1,1,0,0,0,0|0,0,2]=4 682 B7R0.2 CN(CC)CC(=O)O 1P003AQF [1,1,0,0,0,0|1,0,1]=4 683 B7R0.2 CN(CC)CC(=O)O 1P028PG4 [1,1,0,0,0,0|1,0,1]=4 684 B7R0.2 CNC(=O)CC(=O)O 1P00C9G5 [1,1,0,0,0,0|1,0,1]=4 685 B7R0.2 CO\C(=C/C(=O)C)\C 1P00BW7O [1,1,0,0,0,0|2,0,0]=4 686 B7R0.2 C[C@@H](CC)CC(=O)O 1P007CFN [1,1,0,0,0,0|0,0,2]=4 687 B7R0.2 C[C@H](CC)CC(=O)O 1P00AQ4A [1,1,0,0,0,0|0,0,2]=4 688 B7R0.2 C\C(=C/C(=O)O)\CC 1P002C5I [1,1,0,0,0,0|0,0,0]=2 689 B7R0.2 C\C(=C/C(=O)O)\CN 1P028ZWZ [1,1,0,0,0,0|1,0,0]=3 690 B7R0.2 C\C(=C\C(=O)O)\C=C 1P01EMNE [1,1,0,0,0,0|0,0,2]=4 691 B7R0.2 O=CC(=CN(C)C)Br 1P002TGZ [1,1,0,0,0,0|1,0,0]=3 692 B7R0.2 O=CC(=CN(C)C)C 1P002FMH [1,1,0,0,0,0|1,0,0]=3 693 B7R0.2 O=CC(CC(C)C)C 1P007MEQ [1,1,0,0,0,0|0,0,2]=4 694 B7R0.2 O=C\C(=C\N(C)C)\Br 1P028WX8 [1,1,0,0,0,0|1,0,0]=3 695 B7R0.2 OC(=O)CC(=O)CCl 1P002V93 [1,1,0,0,0,0|1,0,1]=4 696 B7R0.2 OCC(=O)NC(C)C 1P01AHTP [1,1,0,0,0,0|1,0,1]=4 697 B7R0.2 OCC(=O)OC(C)C 1P003RLM [1,1,0,0,0,0|1,0,1]=4 698 B7R0.2 [O-]C(=O)\C=C(\CO)/C 1P02842A [1,1,0,0,0,0|1,0,1]=4 699 B7R0.3 CC(OC)CCC=O 1P01C9S2 [1,1,0,0,0,0|0,0,2]=4 700 B7R0.3 CCC(\C=C\C=O)O 1P001SLJ [1,1,0,0,0,0|1,0,0]=3 701 B7R0.3 CCCCC(=O)OC 1P003SJO [1,1,0,0,0,0|0,0,2]=4 702 B7R0.3 CCCOC(=O)OC 1P00E956 [1,1,0,0,0,0|1,0,1]=4 703 B7R0.3 CCNCC(=O)OC 1P00HCTF [1,1,0,0,0,0|1,0,1]=4 704 B7R0.3 CCOCC(=O)OC 1P002545 [1,1,0,0,0,0|1,0,1]=4 705 B7R0.3 CCONC(=O)CO 1P021TGZ [1,1,0,0,0,0|2,0,0]=4 706 B7R0.3 CCSCC(=O)OC 1P002AX7 [1,1,0,0,0,0|1,0,1]=4 707 B7R0.3 CC\C=C\C(=O)OC 1P001QA2 [1,1,0,0,0,0|0,0,0]=2 708 B7R0.3 COC(=O)C=CC=C 1P001NUD [1,1,0,0,0,0|0,0,2]=4 709 B7R0.3 COC(=O)C=CCBr 1P00EAIU [1,1,0,0,0,0|1,0,0]=3 710 B7R0.3 COC(=O)\C=C\C#N 1P01JCBK [1,1,0,0,0,0|1,0,1]=4 711 B7R0.3 COC(=O)\C=C\C=C 1P01E4CN [1,1,0,0,0,0|0,0,2]=4 712 B7R0.3 COC(=O)\C=C\C=O 1P003R5P [1,1,0,0,0,0|1,0,1]=4 713 B7R0.3 COC(=O)\C=C\CBr 1P0039JW [1,1,0,0,0,0|1,0,0]=3 714 B7R0.3 COC(=O)\C=C\CN 1P01KKZ5 [1,1,0,0,0,0|1,0,0]=3 715 B7R0.3 COC(=O)\C=C\CO 1P002Z9E [1,1,0,0,0,0|1,0,0]=3 716 B7R0.3 COC=CC(=O)OC 1P00E9GS [1,1,0,0,0,0|1,0,0]=3 717 B7R0.3 CO\C=C\C(=O)OC 1P0035NO [1,1,0,0,0,0|1,0,0]=3 718 B7R0.3 CSC=CC(=O)OC 1P01BI6J [1,1,0,0,0,0|1,0,0]=3 719 B7R0.3 NC\C=C\C(=O)OC 1P00IN61 [1,1,0,0,0,0|1,0,0]=3 720 B7R0.4 BrCCCCC(=O)O 1P002J3W [1,1,0,0,0,0|0,0,2]=4 721 B7R0.4 BrCCOCC(=O)O 1P00HD6T [1,1,0,0,0,0|1,0,1]=4 722 B7R0.4 CCC#CCC(=O)O 1P00269H [1,1,0,0,0,0|0,0,2]=4 723 B7R0.4 CCCC#CC(=O)O 1P003HTY [1,1,0,0,0,0|0,0,2]=4 724 B7R0.4 CCCC=CC(=O)C 1P003JZ4 [1,1,0,0,0,0|1,0,0]=3 725 B7R0.4 CCCCCC(=O)O 1P0035GM [1,1,0,0,0,0|0,0,2]=4 726 B7R0.4 CCCNCC(=O)O 1P019WR9 [1,1,0,0,0,0|0,0,2]=4 727 B7R0.4 CCCOCC(=O)O 1P00DDPU [1,1,0,0,0,0|0,0,2]=4 728 B7R0.4 CCCSCC(=O)O 1P002AXA [1,1,0,0,0,0|0,0,2]=4 729 B7R0.4 CCC\C=C\C(=O)O 1P00HTPU [1,1,0,0,0,0|0,0,0]=2 730 B7R0.4 CCNCCC(=O)O 1P019WSK [1,1,0,0,0,0|0,0,2]=4 731 B7R0.4 CCOC=CC(=O)Cl 1P01A0FZ [1,1,0,0,0,0|1,0,0]=3 732 B7R0.4 CCOC=CC(=O)O 1P003AAM [1,1,0,0,0,0|0,0,0]=2 733 B7R0.4 CCOCCC(=O)O 1P003JUP [1,1,0,0,0,0|0,0,2]=4 734 B7R0.4 CCO\C=C\C(=O)Cl 1P00IBEN [1,1,0,0,0,0|1,0,0]=3 735 B7R0.4 CCO\C=C\C(=O)O 1P001ERC [1,1,0,0,0,0|0,0,0]=2 736 B7R0.4 CCSCCC(=O)O 1P00FDIY [1,1,0,0,0,0|0,0,2]=4 737 B7R0.4 CC\C=C/CC(=O)O 1P0025TN [1,1,0,0,0,0|0,0,0]=2 738 B7R0.4 CC\C=C\CC(=O)O 1P001Q45 [1,1,0,0,0,0|0,0,0]=2 739 B7R0.4 CNCC#CC(=O)O 1P01DRX9 [1,1,0,0,0,0|0,0,2]=4 740 B7R0.4 CNCCCC(=O)O 1P0034AB [1,1,0,0,0,0|0,0,2]=4 741 B7R0.4 CNCCCC(=O)O 1P007DUH [1,1,0,0,0,0|0,0,2]=4 742 B7R0.4 CNC\C=C\C(=O)O 1P027WD3 [1,1,0,0,0,0|0,0,0]=2 743 B7R0.4 COCC#CC(=O)O 1P006X1E [1,1,0,0,0,0|0,0,2]=4 744 B7R0.4 COCC=CC(=O)O 1P01DNM5 [1,1,0,0,0,0|0,0,0]=2 745 B7R0.4 COCCCC(=O)O 1P002VN5 [1,1,0,0,0,0|0,0,2]=4 746 B7R0.4 COC\C=C\C(=O)O 1P00EFQT [1,1,0,0,0,0|0,0,0]=2 747 B7R0.4 CSCC=CC(=O)O 1P028A6U [1,1,0,0,0,0|0,0,0]=2 748 B7R0.4 CSCCCC(=O)O 1P00MDZI [1,1,0,0,0,0|0,0,2]=4 749 B7R0.4 C\C=C/C=C/C(=O)O 1P0030BP [1,1,0,0,0,0|0,0,1]=3 750 B7R0.4 C\C=C\C=C\C(=O)C 1P003GC2 [1,1,0,0,0,0|1,0,1]=4 751 B7R0.4 C\C=C\C=C\C(=O)Cl 1P002SB9 [1,1,0,0,0,0|1,0,1]=4 752 B7R0.4 C\C=C\C=C\C(=O)O 1P003UVD [1,1,0,0,0,0|0,0,1]=3 753 B7R0.4 C\C=C\C=C\C(=O)[O-] 1P002PCF [1,1,0,0,0,0|0,0,2]=4 754 B7R0.4 C\C=C\C=C\C(=O)[O-] 1P003UUR [1,1,0,0,0,0|0,0,2]=4 755 B7R0.4 C\C=C\C=C\C(=O)[O-] 1P005GWB [1,1,0,0,0,0|0,0,2]=4 756 B7R0.4 ClCCCCC(=O)O 1P0034Q2 [1,1,0,0,0,0|0,0,2]=4 757 B7R0.4 ClCCOCC(=O)O 1P001LKW [1,1,0,0,0,0|1,0,1]=4 758 B7R0.4 ClCCSCC(=O)O 1P01I29B [1,1,0,0,0,0|1,0,1]=4 759 B7R0.4 FCCOCC(=O)O 1P028UIA [1,1,0,0,0,0|1,0,1]=4 760 B7R0.4 ICCCCC(=O)O 1P027L56 [1,1,0,0,0,0|0,0,2]=4 761 B7R0.4 NCCC#CC(=O)O 1P024H4A [1,1,0,0,0,0|0,0,2]=4 762 B7R0.4 NCCCCC(=O)O 1P00390H [1,1,0,0,0,0|0,0,2]=4 763 B7R0.4 NCCCCC(=O)O 1P003MVH [1,1,0,0,0,0|0,0,2]=4 764 B7R0.4 NCCCCC(=O)O 1P00HZV1 [1,1,0,0,0,0|0,0,2]=4 765 B7R0.4 NCCCCC(=O)O 1P01FNTV [1,1,0,0,0,0|0,0,2]=4 766 B7R0.4 NCCNCC(=O)O 1P003SPC [1,1,0,0,0,0|1,0,1]=4 767 B7R0.4 NCCNCC(=O)O 1P01DWQH [1,1,0,0,0,0|1,0,1]=4 768 B7R0.4 NCCOCC(=O)O 1P01A76U [1,1,0,0,0,0|1,0,1]=4 769 B7R0.4 NCCSCC(=O)O 1P00VUW5 [1,1,0,0,0,0|1,0,1]=4 770 B7R0.4 O=CCCC=C(C)C 1P008QPA [1,1,0,0,0,0|0,0,2]=4 771 B7R0.4 OC(=O)CC=CCS 1P019UIY [1,1,0,0,0,0|1,0,0]=3 772 B7R0.4 OC(=O)C\C=C\C=C 1P01BSMX [1,1,0,0,0,0|0,0,2]=4 773 B7R0.4 OCC=CCC(C)C 1P0288PH [1,1,0,0,0,0|0,0,1]=3 774 B7R0.4 OCCNCC(=O)O 1P00EFJ5 [1,1,0,0,0,0|1,0,1]=4 775 B7R0.4 OCCOCC(=O)O 1P0080QG [1,1,0,0,0,0|1,0,1]=4 776 B7R0.4 SCCCCC(=O)O 1P002ZTK [1,1,0,0,0,0|0,0,2]=4 777 B7R0.5 CC(C(=O)N=C=O)C 1P01A2AN [1,1,0,0,0,0|1,0,1]=4 778 B7R0.5 CC(C(=O)O)CCC 1P0033V6 [1,1,0,0,0,0|0,0,2]=4 779 B7R0.5 CC(C(=O)O)NCC 1P01DZ09 [1,1,0,0,0,0|1,0,1]=4 780 B7R0.5 CC(C(=O)O)OCC 1P00I9Y6 [1,1,0,0,0,0|1,0,1]=4 781 B7R0.5 CC(C(=O)O)SCC 1P002A2O [1,1,0,0,0,0|1,0,1]=4 782 B7R0.5 CCC=C(C(=O)O)F 1P01C40M [1,1,0,0,0,0|0,0,0]=2 783 B7R0.5 CCCC(=C)C(=O)Cl 1P005BJY [1,1,0,0,0,0|1,0,1]=4 784 B7R0.5 CCCC(=C)C(=O)O 1P00EIR9 [1,1,0,0,0,0|0,0,1]=3 785 B7R0.5 CCCC(=O)C(=O)C 1P003G1L [1,1,0,0,0,0|1,0,1]=4 786 B7R0.5 CCCC(=O)C(=O)O 1P0023U2 [1,1,0,0,0,0|0,0,1]=3 787 B7R0.5 CCCC(C(=O)O)Br 1P003H9U [1,1,0,0,0,0|0,0,2]=4 788 B7R0.5 CCCC(C(=O)O)F 1P00B18T [1,1,0,0,0,0|0,0,2]=4 789 B7R0.5 CCCC(C(=O)O)N 1P0036YR [1,1,0,0,0,0|0,0,2]=4 790 B7R0.5 CCCC(C(=O)O)O 1P00EBYM [1,1,0,0,0,0|0,0,2]=4 791 B7R0.5 CCCC(C(=O)O)S 1P00KF9S [1,1,0,0,0,0|0,0,2]=4 792 B7R0.5 CCC[C@@H](C(=O)O)Br 1P00C8EN [1,1,0,0,0,0|0,0,2]=4 793 B7R0.5 CCC[C@@H](C(=O)O)N 1P003RTO [1,1,0,0,0,0|0,0,2]=4 794 B7R0.5 CCC[C@@H](C(=O)O)O 1P00C8CR [1,1,0,0,0,0|0,0,2]=4 795 B7R0.5 CCC[C@H](C(=O)O)Br 1P01HPLB [1,1,0,0,0,0|0,0,2]=4 796 B7R0.5 CCC[C@H](C(=O)O)N 1P002DST [1,1,0,0,0,0|0,0,2]=4 797 B7R0.5 CCC[C@H](C(=O)O)O 1P00CDG2 [1,1,0,0,0,0|0,0,2]=4 798 B7R0.5 CCNC(=O)C(=O)O 1P00JEDA [1,1,0,0,0,0|1,0,0]=3 799 B7R0.5 CCOC(=C)C(=O)O 1P01Q8PF [1,1,0,0,0,0|1,0,0]=3 800 B7R0.5 CCOC(=O)C(=O)C 1P0035DH [1,1,0,0,0,0|2,0,0]=4 801 B7R0.5 CCOC(=O)C(=O)Cl 1P00DEIK [1,1,0,0,0,0|2,0,0]=4 802 B7R0.5 CCOC(=O)C(=O)N 1P003QWZ [1,1,0,0,0,0|2,0,0]=4 803 B7R0.5 CCOC(=O)C(=O)O 1P003QF4 [1,1,0,0,0,0|1,0,0]=3 804 B7R0.5 COCC(=C)C(=O)O 1P01BF18 [1,1,0,0,0,0|1,0,1]=4 805 B7R0.5 CONC(=O)C(=O)O 1P028PC4 [1,1,0,0,0,0|2,0,0]=4 806 B7R0.5 C[C@@H](C(=O)O)NCC 1P00ENDL [1,1,0,0,0,0|1,0,1]=4 807 B7R0.5 C[C@H](C(=O)O)NCC 1P01J7GU [1,1,0,0,0,0|1,0,1]=4 808 B7R0.5 C\C(=C/C=C)\C(=O)O 1P028VMJ [1,1,0,0,0,0|0,0,2]=4 809 B7R0.5 C\C(=C/CC)\C(=O)O 1P003I2Q [1,1,0,0,0,0|0,0,0]=2 810 B7R0.5 C\C(=C/CCl)\C(=O)O 1P01I3DR [1,1,0,0,0,0|1,0,0]=3 811 B7R0.5 C\C(=N/OC)\C(=O)O 1P01KKJY [1,1,0,0,0,0|2,0,0]=4 812 B7R0.5 Cl\C=C\C(=O)C(C)C 1P01B79F [1,1,0,0,0,0|1,0,0]=3 813 B7R0.5 OCC=C(C(C)C)C 1P01BTWJ [1,1,0,0,0,0|0,0,1]=3 814 B7R0.5 OCCC(=C)C(C)C 1P028T6A [1,1,0,0,0,0|0,0,2]=4 815 B7R0.5 OCCC(=O)C(C)C 1P009DD1 [1,1,0,0,0,0|0,0,2]=4 816 B7R0.5 OCNC(=O)C(C)C 1P01DL1W [1,1,0,0,0,0|1,0,1]=4 817 B7R0.5 OC\C=C(\C(=O)O)/C 1P028VCA [1,1,0,0,0,0|1,0,0]=3 818 B7R0.5 [O-]C(=O)C(=O)OCC 1P002F4M [1,1,0,0,0,0|1,0,1]=4 819 B7R0.8 BrCC=CC(C)(C)C 1P01I795 [1,1,0,0,0,0|1,0,1]=4 820 B7R0.8 CC=CNC(C)(C)C 1P01C63Z [1,1,0,0,0,0|2,0,0]=4 821 B7R0.8 C[N+](C)(\C=C\CO)C 1P01FWQ9 [1,1,0,0,0,0|1,0,1]=4 822 B7R0.8 NC\C=C\C(C)(C)C 1P028UUR [1,1,0,0,0,0|1,0,1]=4 823 B7R0.8 O=CCCC(C)(C)C 1P01BEEG [1,1,0,0,0,0|0,0,2]=4 824 B7R0.8 O=CCOC(C)(C)C 1P020L8E [1,1,0,0,0,0|1,0,1]=4 825 B7R0.8 O=CCSC(C)(C)C 1P0052GW [1,1,0,0,0,0|1,0,1]=4 826 B7R0.8 OC\C=C\[Si](C)(C)C 1P003VDR [1,1,0,0,0,0|0,1,1]=4 827 B7R0.9 CC(=O)CC(C)(C)C 1P003KWI [0,1,0,0,1,0|1,0,1]=4 828 B7R0.9 CC(=O)CC(Cl)(C)C 1P001DU3 [0,1,0,0,1,0|1,0,1]=4 829 B7R0.9 CC(=O)CC(N)(C)C 1P003L6K [0,1,0,0,1,0|1,0,1]=4 830 B7R0.9 CC(=O)CC(O)(C)C 1P000KDW [0,1,0,0,1,0|1,0,1]=4 831 B7R0.9 CC(=O)CC(S)(C)C 1P002C5Z [0,1,0,0,1,0|1,0,1]=4 832 B7R0.9 CC(=O)NC(C)(C)C 1P003TTT [0,1,0,0,1,0|2,0,0]=4 833 B7R0.9 CC(=O)OC(C)(C)C 1P0036K8 [0,1,0,0,1,0|2,0,0]=4 834 B7R0.9 CC(OS(=O)(=O)O)C 1P01PHLU [0,1,0,0,1,0|2,0,0]=4 835 B7R0.9 ClC(=O)CC(Br)(C)C 1P01B380 [0,1,0,0,1,0|1,0,1]=4 836 B7R0.9 ClC(=O)CC(C)(C)C 1P003IU3 [0,1,0,0,1,0|1,0,1]=4 837 B7R0.9 NC(=O)CC(C)(C)C 1P00H1ZB [0,1,0,0,1,0|1,0,1]=4 838 B7R0.9 NC(=O)CC(N)(C)C 1P019SGU [0,1,0,0,1,0|1,0,1]=4 839 B7R0.9 NC(=O)CC(N)(C)C 1P01A7J8 [0,1,0,0,1,0|1,0,1]=4 840 B7R0.9 NC(=O)NC(C)(C)C 1P003V2Q [0,1,0,0,1,0|2,0,0]=4 841 B7R0.9 NC(=O)OC(C)(C)C 1P00363R [0,1,0,0,1,0|2,0,0]=4 842 B7R0.9 OC(=O)CC(Br)(C)C 1P00EPM1 [0,1,0,0,1,0|0,0,1]=3 843 B7R0.9 OC(=O)CC(C)(C)C 1P003IU4 [0,1,0,0,1,0|0,0,1]=3 844 B7R0.9 OC(=O)CC(Cl)(C)C 1P027U6R [0,1,0,0,1,0|0,0,1]=3 845 B7R0.9 OC(=O)CC(F)(C)C 1P01BUPJ [0,1,0,0,1,0|0,0,1]=3 846 B7R0.9 OC(=O)CC(F)(F)C 1P01AE6R [0,1,0,0,1,0|1,0,1]=4 847 B7R0.9 OC(=O)CC(N)(C)C 1P0037NO [0,1,0,0,1,0|0,0,1]=3 848 B7R0.9 OC(=O)CC(N)(C)C 1P003JBN [0,1,0,0,1,0|0,0,1]=3 849 B7R0.9 OC(=O)CC(N)(C)C 1P01AGEV [0,1,0,0,1,0|0,0,1]=3 850 B7R0.9 OC(=O)CC(O)(C)C 1P0039UT [0,1,0,0,1,0|0,0,1]=3 851 B7R0.9 OC(=O)CC(S)(C)C 1P00392I [0,1,0,0,1,0|0,0,1]=3 852 B7R0.9 OC(=O)CP(=O)(C)C 1P028MVP [0,1,0,0,1,0|1,0,1]=4 853 B7R0.9 OC(=O)C[N+](C)(C)C 1P00IAY4 [0,1,0,0,1,0|1,0,1]=4 854 B7R0.9 OC(=O)C[Si](C)(C)C 1P002NQR [0,1,0,0,1,0|0,1,1]=4 855 B7R0.9 [O-]C(=O)CC(O)(C)C 1P003P49 [0,1,0,0,1,0|0,0,2]=4 856 B7R0.16 BrC(C(=O)C(=O)O)Br 1P00EIWF [0,1,0,0,1,0|2,0,0]=4 857 B7R0.16 BrC(C(=O)Cl)C(C)C 1P00DNAU [0,1,0,0,1,0|1,0,1]=4 858 B7R0.16 BrC(C(=O)N)C(C)C 1P019PO7 [0,1,0,0,1,0|1,0,1]=4 859 B7R0.16 BrC(C(=O)O)C(C)C 1P0036DQ [0,1,0,0,1,0|0,0,1]=3 860 B7R0.16 Br[C@@H](C(=O)O)C(C)C 1P00G3NN [0,1,0,0,1,0|0,0,1]=3 861 B7R0.16 Br[C@H](C(=O)O)C(C)C 1P003CVL [0,1,0,0,1,0|0,0,1]=3 862 B7R0.16 CC(=C(C(=O)O)Br)C 1P001Q6W [0,1,0,0,1,0|0,0,1]=3 863 B7R0.16 CC(=C(C(=O)O)C)C 1P019YZ2 [0,1,0,0,1,0|0,0,1]=3 864 B7R0.16 CC(=C(C(=O)O)Cl)C 1P01QZ77 [0,1,0,0,1,0|0,0,1]=3 865 B7R0.16 CC(=C(C(=O)O)F)C 1P01A0CN [0,1,0,0,1,0|0,0,1]=3 866 B7R0.16 CC(C(=C)C(=O)Cl)C 1P005OL8 [0,1,0,0,1,0|1,0,0]=3 867 B7R0.16 CC(C(=C)C(=O)O)C 1P00DRDO [0,1,0,0,1,0|0,0,0]=2 868 B7R0.16 CC(C(=O)C(=O)C)Br 1P0034FA [0,1,0,0,1,0|2,0,0]=4 869 B7R0.16 CC(C(=O)C(=O)O)C 1P00347Q [0,1,0,0,1,0|0,0,0]=2 870 B7R0.16 CC(C(=O)C(=O)[O-])C 1P003URT [0,1,0,0,1,0|0,0,1]=3 871 B7R0.16 CC(C(=O)C(=O)[O-])C 1P00I9QK [0,1,0,0,1,0|0,0,1]=3 872 B7R0.16 CC(C(=O)C(=O)[O-])C 1P02841O [0,1,0,0,1,0|0,0,1]=3 873 B7R0.16 CC(C(=O)Cl)C(C)C 1P00DRED [0,1,0,0,1,0|1,0,1]=4 874 B7R0.16 CC(C(=O)O)C(C)C 1P007ZPC [0,1,0,0,1,0|0,0,1]=3 875 B7R0.16 CC(C(=O)O)C(N)C 1P01AV78 [0,1,0,0,1,0|1,0,1]=4 876 B7R0.16 CC(C(=O)O)N(C)C 1P00ADBV [0,1,0,0,1,0|1,0,1]=4 877 B7R0.16 CC(C(C(=O)C)C)C 1P01HJ3E [0,1,0,0,1,0|1,0,1]=4 878 B7R0.16 CC(C(C(=O)C)S)C 1P005IKG [0,1,0,0,1,0|1,0,1]=4 879 B7R0.16 CC(C(C(=O)O)C)O 1P00DDYP [0,1,0,0,1,0|1,0,1]=4 880 B7R0.16 CC(C(C(=O)O)F)O 1P01BGEK [0,1,0,0,1,0|1,0,1]=4 881 B7R0.16 CC(C(C(=O)O)N)O 1P01DL1Y [0,1,0,0,1,0|1,0,1]=4 882 B7R0.16 CC(C(C(=O)O)O)N 1P028U2M [0,1,0,0,1,0|1,0,1]=4 883 B7R0.16 CC(N(C(=O)Cl)C)C 1P00D8AG [0,1,0,0,1,0|2,0,0]=4 884 B7R0.16 CN(C(=O)C(=O)C)C 1P00B7HD [0,1,0,0,1,0|2,0,0]=4 885 B7R0.16 CN(C(=O)C(=O)Cl)C 1P006WZM [0,1,0,0,1,0|2,0,0]=4 886 B7R0.16 CN(C(=O)C(=O)O)C 1P007J6I [0,1,0,0,1,0|1,0,0]=3 887 B7R0.16 C[C@@H](C(=O)O)C(C)C 1P002VES [0,1,0,0,1,0|0,0,1]=3 888 B7R0.16 C[C@@H](C(=O)O)N(C)C 1P001XKS [0,1,0,0,1,0|1,0,1]=4 889 B7R0.16 C[C@@H](C(=O)O)N(C)C 1P00BHJU [0,1,0,0,1,0|1,0,1]=4 890 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O 1P001J7L [0,1,0,0,1,0|1,0,1]=4 891 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O 1P00IBMP [0,1,0,0,1,0|1,0,1]=4 892 B7R0.16 C[C@@H]([C@H](C(=O)O)O)N 1P003B1L [0,1,0,0,1,0|1,0,1]=4 893 B7R0.16 C[C@H](C(=O)O)C(C)C 1P001N9S [0,1,0,0,1,0|0,0,1]=3 894 B7R0.16 C[C@H](C(=O)O)N(C)C 1P001PX5 [0,1,0,0,1,0|1,0,1]=4 895 B7R0.16 C[C@H](C(=O)O)N(C)C 1P00J3DF [0,1,0,0,1,0|1,0,1]=4 896 B7R0.16 C[C@H]([C@@H](C(=O)O)N)Br 1P028AO9 [0,1,0,0,1,0|1,0,1]=4 897 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O 1P00359M [0,1,0,0,1,0|1,0,1]=4 898 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O 1P00IB51 [0,1,0,0,1,0|1,0,1]=4 899 B7R0.16 C[C@H]([C@H](C(=O)O)N)F 1P01BVN1 [0,1,0,0,1,0|1,0,1]=4 900 B7R0.16 C[C@H]([C@H](C(=O)O)N)O 1P002Q2X [0,1,0,0,1,0|1,0,1]=4 901 B7R0.16 ClC(C(=O)O)C(C)C 1P019W9W [0,1,0,0,1,0|0,0,1]=3 902 B7R0.16 Cl[C@H](C(=O)O)C(C)C 1P003D1T [0,1,0,0,1,0|0,0,1]=3 903 B7R0.16 FC(C(=O)O)C(C)C 1P001Q6L [0,1,0,0,1,0|0,0,1]=3 904 B7R0.16 NC(C(=O)N)C(C)C 1P00IMQN [0,1,0,0,1,0|1,0,1]=4 905 B7R0.16 NC(C(=O)O)C(C)C 1P0035KT [0,1,0,0,1,0|0,0,1]=3 906 B7R0.16 N[C@@H](C(=O)N)C(C)C 1P0014U9 [0,1,0,0,1,0|1,0,1]=4 907 B7R0.16 N[C@@H](C(=O)O)C(C)C 1P0037JS [0,1,0,0,1,0|0,0,1]=3 908 B7R0.16 N[C@H](C(=O)N)C(C)C 1P00I645 [0,1,0,0,1,0|1,0,1]=4 909 B7R0.16 N[C@H](C(=O)O)C(C)C 1P00I9OW [0,1,0,0,1,0|0,0,1]=3 910 B7R0.16 N[C@H](C(=O)O)[C@@H](N)C 1P028L4U [0,1,0,0,1,0|1,0,1]=4 911 B7R0.16 N[C@H](C(=O)O)[C@H](N)C 1P00C212 [0,1,0,0,1,0|1,0,1]=4 912 B7R0.16 OC(C(=O)O)C(C)C 1P003HUP [0,1,0,0,1,0|0,0,1]=3 913 B7R0.16 O[C@@H](C(=O)O)C(C)C 1P001ZWR [0,1,0,0,1,0|0,0,1]=3 914 B7R0.16 O[C@H](C(=O)O)C(C)C 1P007V6T [0,1,0,0,1,0|0,0,1]=3 915 B7R0.16 SC(C(=O)O)C(C)C 1P0019CW [0,1,0,0,1,0|0,0,1]=3 916 B7R0.16 [15NH2][13C@H]([13C](=O)O)[13CH]([13CH3])[13CH3] 1P00C25L [0,1,0,0,1,0|0,0,1]=3 917 B9R0.1 CCC(CCCC(=O)O)C 1P007TWS [0,1,0,0,0,1|0,0,2]=4 918 B9R0.1 CN(CC)CC=CC(=O)O 1P027XTK [0,1,0,0,0,1|1,0,0]=3 919 B9R0.1 COC(=O)CCNC(C)C 1P01AI2I [0,1,0,0,0,1|0,0,2]=4 920 B9R0.1 COC(=O)CNCC(C)C 1P019ZYQ [0,1,0,0,0,1|0,0,2]=4 921 B9R0.1 COC(=O)\C=C\CC(C)C 1P003SEO [0,1,0,0,0,1|0,0,0]=2 922 B9R0.1 COC(=O)\C=C\CN(C)C 1P00C334 [0,1,0,0,0,1|1,0,0]=3 923 B9R0.7 BrC(C(=O)O)CCC(C)C 1P01C1OK [0,1,0,0,0,1|0,0,2]=4 924 B9R0.7 CC(=CCC(C(=O)O)N)C 1P00CWBL [0,1,0,0,0,1|0,0,2]=4 925 B9R0.7 CC(=CC[C@@H](C(=O)O)N)C 1P00B7JU [0,1,0,0,0,1|0,0,2]=4 926 B9R0.7 CC(=CC[C@H](C(=O)O)N)C 1P00GORO [0,1,0,0,0,1|0,0,2]=4 927 B9R0.7 CC(=C\C=C(\C(=O)C)/C)C 1P027WWB [0,1,0,0,0,1|1,0,1]=4 928 B9R0.7 CC(=O)CCC(=O)C(C)C 1P001AHL [0,1,0,0,0,1|1,0,1]=4 929 B9R0.7 CC(C(=O)NCC(=O)O)C 1P001R1A [0,1,0,0,0,1|0,0,1]=3 930 B9R0.7 CC(C(=O)NCC(=O)O)Cl 1P004TBT [0,1,0,0,0,1|1,0,1]=4 931 B9R0.7 CC(C(=O)NCC(=O)O)N 1P003QA0 [0,1,0,0,0,1|1,0,1]=4 932 B9R0.7 CC(C(=O)NCC(=O)O)S 1P00365Y [0,1,0,0,0,1|1,0,1]=4 933 B9R0.7 CC(C(=O)O)CCC(C)C 1P00K362 [0,1,0,0,0,1|0,0,2]=4 934 B9R0.7 CC(C(=O)O)OCC(C)C 1P019NLD [0,1,0,0,0,1|0,0,2]=4 935 B9R0.7 CC(CCC(=O)C(=O)O)C 1P01C5LE [0,1,0,0,0,1|0,0,1]=3 936 B9R0.7 CC(CNC(=O)C(=O)O)C 1P005DBN [0,1,0,0,0,1|0,0,1]=3 937 B9R0.7 CC(N(CCC(=O)O)C)C 1P00C2JL [0,1,0,0,0,1|0,0,2]=4 938 B9R0.7 CC(OCC(=C)C(=O)O)C 1P02894O [0,1,0,0,0,1|0,0,1]=3 939 B9R0.7 CN(C(=O)C#CC(=O)O)C 1P01DVPK [0,1,0,0,0,1|1,0,1]=4 940 B9R0.7 CN(C(=O)CCC(=O)O)C 1P003T2B [0,1,0,0,0,1|1,0,1]=4 941 B9R0.7 CN(C(=O)NCC(=O)O)C 1P008VWY [0,1,0,0,0,1|1,0,1]=4 942 B9R0.7 CN(C(=O)\C=C/C(=O)O)C 1P01BU7K [0,1,0,0,0,1|1,0,0]=3 943 B9R0.7 CN(C(=O)\C=C\C(=O)O)C 1P01E9AD [0,1,0,0,0,1|1,0,0]=3 944 B9R0.7 CN(C(=S)SCC(=O)O)C 1P003UMW [0,1,0,0,0,1|1,0,1]=4 945 B9R0.7 CN(CCC(=C)C(=O)O)C 1P01B7FD [0,1,0,0,0,1|1,0,1]=4 946 B9R0.7 C[C@@H](C(=O)NCC(=O)O)N 1P00ICBQ [0,1,0,0,0,1|1,0,1]=4 947 B9R0.7 C[C@H](C(=O)NCC(=O)O)N 1P0076V1 [0,1,0,0,0,1|1,0,1]=4 948 B9R0.7 FC(C(=O)O)CCC(C)C 1P01FNJ9 [0,1,0,0,0,1|0,0,2]=4 949 B9R0.7 NC(C(=O)O)CCC(C)C 1P00CJQB [0,1,0,0,0,1|0,0,2]=4 950 B9R0.7 NC(C(=O)O)CCC(C)C 1P01AITT [0,1,0,0,0,1|0,0,2]=4 951 B9R0.7 NC(C(C)C)CCC(=O)O 1P028H49 [0,1,0,0,0,1|0,0,2]=4 952 B9R0.7 N[C@@H](C(=O)O)CCC(C)C 1P0019XG [0,1,0,0,0,1|0,0,2]=4 953 B9R0.7 N[C@@H](C(=O)O)CCC(C)C 1P01EM0N [0,1,0,0,0,1|0,0,2]=4 954 B9R0.7 N[C@H](C(=O)O)CCC(C)C 1P0034RK [0,1,0,0,0,1|0,0,2]=4 955 B9R0.7 N[C@H](C(=O)O)CCC(C)C 1P00HT6X [0,1,0,0,0,1|0,0,2]=4 956 B9R0.7 N[C@H](C(=O)O)COC(C)C 1P01C72K [0,1,0,0,0,1|0,0,2]=4 957 B9R0.7 OC(C(=O)O)CCC(C)C 1P002RI8 [0,1,0,0,0,1|0,0,2]=4 958 B9R0.53 CC(=O)CC(=O)OC(C)C 1P00IA53 [0,1,0,0,0,1|1,0,1]=4 959 B9R0.53 CC(CC(=O)O)NC(C)C 1P001TB9 [0,1,0,0,0,1|0,0,2]=4 960 B9R0.53 CC(CC(CC(=O)O)C)C 1P00EG1D [0,1,0,0,0,1|0,0,2]=4 961 B9R0.53 CC(CC(CC(=O)O)N)C 1P0003JH [0,1,0,0,0,1|0,0,2]=4 962 B9R0.53 CC(CC(CC(=O)O)N)C 1P003JDB [0,1,0,0,0,1|0,0,2]=4 963 B9R0.53 CC(CC(CC(=O)O)O)C 1P00CZ4R [0,1,0,0,0,1|0,0,2]=4 964 B9R0.53 CC(C[C@@H](CC(=O)O)N)C 1P003RP6 [0,1,0,0,0,1|0,0,2]=4 965 B9R0.53 CC(C[C@@H](CC(=O)O)N)C 1P007O5X [0,1,0,0,0,1|0,0,2]=4 966 B9R0.53 CC(C[C@@H](CC(=O)O)O)C 1P0288QD [0,1,0,0,0,1|0,0,2]=4 967 B9R0.53 CC(C[C@H](CC(=O)O)N)C 1P000XNZ [0,1,0,0,0,1|0,0,2]=4 968 B9R0.53 CC(C[C@H](CC(=O)O)N)C 1P006D2D [0,1,0,0,0,1|0,0,2]=4 969 B9R0.53 CC(C[C@H](CC(=O)O)O)C 1P0288Q6 [0,1,0,0,0,1|0,0,2]=4 970 B9R0.53 CC(C\C(C)=N\C(C)C)=O 1P01KIX0 [0,1,0,0,0,1|1,0,1]=4 971 B9R0.53 CC(OC(=O)C=C(N)C)C 1P001I46 [0,1,0,0,0,1|2,0,0]=4 972 B9R0.56 OC(=O)C#CCC(C)(C)C 1P01C47S [0,1,0,0,0,1|0,0,2]=4 973 B9R0.56 OC(=O)CCCC(C)(C)C 1P002OSG [0,1,0,0,0,1|0,0,2]=4 974 B9R0.56 OC(=O)CCNC(C)(C)C 1P019L1G [0,1,0,0,0,1|0,0,2]=4 975 B9R0.56 OC(=O)CNCC(C)(C)C 1P01B6TR [0,1,0,0,0,1|0,0,2]=4 976 B9R0.56 OC(=O)CNCC(O)(C)C 1P028C4H [0,1,0,0,0,1|0,0,2]=4 977 B9R0.56 OC(=O)COCC(C)(C)C 1P028VIS [0,1,0,0,0,1|0,0,2]=4 978 B9R0.56 OC(=O)C\C=C\C(C)(C)C 1P0284ED [0,1,0,0,0,1|0,0,0]=2 979 B9R0.21 COC(=O)C#CC(N)(C)C 1P028W3Y [0,2,0,0,0,0|0,0,2]=4 980 B9R0.21 COC(=O)C=CC(C)(C)C 1P01A5ZN [0,2,0,0,0,0|0,0,0]=2 981 B9R0.21 COC(=O)C=CC(F)(F)F 1P003SAR [0,2,0,0,0,0|2,0,0]=4 982 B9R0.21 COC(=O)C=CS(=O)(=O)C 1P019ZE5 [0,2,0,0,0,0|2,0,0]=4 983 B9R0.21 COC(=O)CCC(N)(C)C 1P01AIDM [0,2,0,0,0,0|0,0,2]=4 984 B9R0.21 COC(=O)CNC(C)(C)C 1P019XUT [0,2,0,0,0,0|1,0,1]=4 985 B9R0.21 COC(=O)COC(C)(C)C 1P01AD20 [0,2,0,0,0,0|1,0,1]=4 986 B9R0.21 COC(=O)CSC(C)(C)C 1P00DLOI [0,2,0,0,0,0|1,0,1]=4 987 B9R0.21 COC(=O)\C=C\C(N)(C)C 1P01FIFW [0,2,0,0,0,0|0,0,0]=2 988 B9R0.23 CC(C(CC(=O)O)O)CC 1P0291JV [0,2,0,0,0,0|0,0,2]=4 989 B9R0.23 CCC(C(=O)CC(=O)C)C 1P01I160 [0,2,0,0,0,0|1,0,1]=4 990 B9R0.23 COC(=O)C(=C)CC(C)C 1P01BCML [0,2,0,0,0,0|0,0,1]=3 991 B9R0.23 COC(=O)C(=O)CC(C)C 1P003SCK [0,2,0,0,0,0|0,0,1]=3 992 B9R0.23 COC(=O)C(CC(C)C)Br 1P00EFMR [0,2,0,0,0,0|0,0,2]=4 993 B9R0.23 COC(=O)C(CC(C)C)N 1P00EH4Z [0,2,0,0,0,0|0,0,2]=4 994 B9R0.23 COC(=O)C(CC(C)C)O 1P00D6S5 [0,2,0,0,0,0|0,0,2]=4 995 B9R0.23 COC(=O)C(CC(C)C)S 1P028RXP [0,2,0,0,0,0|0,0,2]=4 996 B9R0.23 COC(=O)[C@@H](CC(C)C)N 1P003553 [0,2,0,0,0,0|0,0,2]=4 997 B9R0.23 COC(=O)[C@@H](CC(C)C)O 1P01DTYF [0,2,0,0,0,0|0,0,2]=4 998 B9R0.23 COC(=O)[C@H](CC(C)C)N 1P003RT7 [0,2,0,0,0,0|0,0,2]=4 999 B9R0.23 C[C@H]([C@@H](CC(=O)O)N)OC 1P028TWN [0,2,0,0,0,0|0,0,2]=4 1000 B9R0.23 NNC(=O)C(=O)NC(C)C 1P00C75Q [0,2,0,0,0,0|2,0,0]=4 1001 B9R0.24 BrCC(CCC(=O)OC)C 1P028365 [0,2,0,0,0,0|0,0,2]=4 1002 B9R0.24 CCC(NCC(=O)OC)C 1P01A2BK [0,2,0,0,0,0|1,0,1]=4 1003 B9R0.24 CCC(SCC(=O)OC)C 1P01FE4K [0,2,0,0,0,0|1,0,1]=4 1004 B9R0.24 COC(=O)\C=C/C(=O)OC 1P003Q2T [0,2,0,0,0,0|1,0,1]=4 1005 B9R0.24 COC(=O)\C=C\C(=O)OC 1P003Q2Q [0,2,0,0,0,0|1,0,1]=4 1006 B9R0.24 COC(CCC(=O)OC)C 1P01A6G9 [0,2,0,0,0,0|0,0,2]=4 1007 B9R0.24 CSC(CCC(=O)OC)C 1P028QEO [0,2,0,0,0,0|0,0,2]=4 1008 B9R0.42 CC(CC)CC(=O)C(=O)O 1P028CV2 [0,2,0,0,0,0|0,0,1]=3 1009 B9R0.42 CC(NC(=O)C(=O)O)CC 1P0059E7 [0,2,0,0,0,0|1,0,0]=3 1010 B9R0.42 CCC(CC(C(=O)O)N)C 1P019ZGJ [0,2,0,0,0,0|0,0,2]=4 1011 B9R0.42 CCC(C[C@@H](C(=O)O)N)C 1P028FBT [0,2,0,0,0,0|0,0,2]=4 1012 B9R0.42 CCC(C[C@@H](C(=O)O)N)C 1P028UKV [0,2,0,0,0,0|0,0,2]=4 1013 B9R0.42 COC(=O)C=C(C(=O)C)C 1P01A1RI [0,2,0,0,0,0|1,0,1]=4 1014 B9R0.42 COC(=O)CC(=O)C(Br)C 1P0038H7 [0,2,0,0,0,0|1,0,1]=4 1015 B9R0.42 COC(=O)CC(=O)C(C)C 1P003SHB [0,2,0,0,0,0|0,0,1]=3 1016 B9R0.42 COC(=O)CC(=O)N(C)C 1P024TXG [0,2,0,0,0,0|1,0,1]=4 1017 B9R0.42 COC(=O)CC(C(C)C)N 1P01BFC5 [0,2,0,0,0,0|0,0,2]=4 1018 B9R0.42 COC(=O)C[C@@H](C(C)C)N 1P00IC8G [0,2,0,0,0,0|0,0,2]=4 1019 B9R0.42 COC(=O)C[C@H](C(C)C)N 1P00I01W [0,2,0,0,0,0|0,0,2]=4 1020 B9R0.42 COC(=O)NC(=O)C(Cl)C 1P006XBC [0,2,0,0,0,0|2,0,0]=4 1021 B9R0.42 ClCC(=O)NC(=O)C(C)C 1P00ICR4 [0,2,0,0,0,0|2,0,0]=4 1022 B9R0.42 FC[C@H](C[C@@H](C(=O)O)N)C 1P0293LN [0,2,0,0,0,0|0,0,2]=4 1023 B9R0.42 NCC(C=C(C(=O)O)C)C 1P0290AJ [0,2,0,0,0,0|0,0,0]=2 1024 B9R0.42 OCC(C[C@@H](C(=O)O)N)C 1P007FA8 [0,2,0,0,0,0|0,0,2]=4 1025 B9R0.43 CCC(=CC)C=CC(=O)O 1P0292SX [0,2,0,0,0,0|0,0,1]=3 1026 B9R0.43 CCC(CCC(=O)O)CC 1P00F40H [0,2,0,0,0,0|0,0,2]=4 1027 B9R0.43 CCC(CCC(=O)O)OC 1P028RAK [0,2,0,0,0,0|0,0,2]=4 1028 B9R0.43 CCC(OCC(=O)O)CC 1P002EN1 [0,2,0,0,0,0|1,0,1]=4 1029 B9R0.43 COC(CN)CCC(=O)O 1P027UGG [0,2,0,0,0,0|0,0,2]=4 1030 B9R0.43 FCC(CCC(=O)O)CF 1P0293W0 [0,2,0,0,0,0|0,0,2]=4 1031 B9R0.48 CC(OCC)CCC(=O)O 1P024SFD [0,2,0,0,0,0|0,0,2]=4 1032 B9R0.48 CCOC(=O)C=CN(C)C 1P0035BF [0,2,0,0,0,0|1,0,0]=3 1033 B9R0.48 CCOC(=O)CCC(C)C 1P0035C3 [0,2,0,0,0,0|0,0,2]=4 1034 B9R0.48 CCOC(=O)CNC(C)C 1P007IVV [0,2,0,0,0,0|1,0,1]=4 1035 B9R0.48 CCOC(=O)CNC(C)C 1P00C61V [0,2,0,0,0,0|1,0,1]=4 1036 B9R0.48 CCOC(=O)COC(C)C 1P019ZDE [0,2,0,0,0,0|1,0,1]=4 1037 B9R0.48 CCOC(=O)OCC(C)C 1P003AK0 [0,2,0,0,0,0|1,0,1]=4 1038 B9R0.48 CCOC(=O)\C=C/C(=O)O 1P003SM8 [0,2,0,0,0,0|1,0,1]=4 1039 B9R0.48 CCOC(=O)\C=C\C(=C)C 1P0080S0 [0,2,0,0,0,0|0,0,2]=4 1040 B9R0.48 CCOC(=O)\C=C\C(=O)C 1P00054H [0,2,0,0,0,0|1,0,1]=4 1041 B9R0.48 CCOC(=O)\C=C\C(=O)O 1P002P5C [0,2,0,0,0,0|1,0,1]=4 1042 B9R0.48 CCOC(=O)\C=C\C(F)F 1P00CLB7 [0,2,0,0,0,0|2,0,0]=4 1043 B9R0.48 CCOC(=O)\C=C\N(C)C 1P008RU2 [0,2,0,0,0,0|1,0,0]=3 1044 B9R0.48 COCC(NCC(=O)O)C 1P01ABIZ [0,2,0,0,0,0|1,0,1]=4 1045 B9R0.64 BrCC(CCC(=O)O)(C)C 1P0281H6 [0,2,0,0,0,0|0,0,2]=4 1046 B9R0.64 C#CC(CCC(=O)O)(C)C 1P027Y78 [0,2,0,0,0,0|0,0,2]=4 1047 B9R0.64 CC(CC)(CCC(=O)O)N 1P028VEV [0,2,0,0,0,0|0,0,2]=4 1048 B9R0.64 CCC(OCC(=O)O)(C)C 1P01C2OG [0,2,0,0,0,0|1,0,1]=4 1049 B9R0.64 CCS(=O)(=O)C=CC(=O)O 1P01B4GT [0,2,0,0,0,0|2,0,0]=4 1050 B9R0.64 COC(CCC(=O)O)(C)C 1P0288Q5 [0,2,0,0,0,0|0,0,2]=4 1051 B9R0.64 CSC(\C=C\C(=O)O)(C)C 1P028ZSW [0,2,0,0,0,0|0,0,0]=2 1052 B9R0.64 N#CC(CCC(=O)O)(C)C 1P018JYQ [0,2,0,0,0,0|0,0,2]=4 1053 B9R0.64 NCC(OCC(=O)O)(C)C 1P02819L [0,2,0,0,0,0|1,0,1]=4 1054 B9R0.64 O=CC(CCC(=O)O)(C)C 1P006V47 [0,2,0,0,0,0|0,0,2]=4 1055 B9R0.10 CC(=CC(=O)O)C(C)(C)C 1P019T0D [0,2,0,0,0,0|0,0,0]=2 1056 B9R0.10 CC(=O)CC(=O)C(C)(C)C 1P003FS1 [0,2,0,0,0,0|1,0,1]=4 1057 B9R0.10 CC(C(C)(C)C)CC(=O)O 1P005EAO [0,2,0,0,0,0|0,0,2]=4 1058 B9R0.10 CC(C(N)(C)C)CC(=O)O 1P01PW37 [0,2,0,0,0,0|0,0,2]=4 1059 B9R0.10 NC(C(C)(C)C)CC(=O)O 1P0029SO [0,2,0,0,0,0|0,0,2]=4 1060 B9R0.10 N[C@@H](C(C)(C)C)CC(=O)O 1P00398I [0,2,0,0,0,0|0,0,2]=4 1061 B9R0.10 N[C@@H](C(C)(C)C)CC(=O)O 1P01FIWX [0,2,0,0,0,0|0,0,2]=4 1062 B9R0.10 N[C@H](C(C)(C)C)CC(=O)O 1P0037RQ [0,2,0,0,0,0|0,0,2]=4 1063 B9R0.10 O[C@@H](C(C)(C)C)CC(=O)O 1P004KC6 [0,2,0,0,0,0|0,0,2]=4 1064 B9R0.10 O[C@H](C(C)(C)C)CC(=O)O 1P028MFQ [0,2,0,0,0,0|0,0,2]=4 1065 B9R0.11 CC(C(CC(=O)O)(F)F)C 1P01BU98 [0,2,0,0,0,0|0,0,2]=4 1066 B9R0.11 CC(CC(C(=O)O)(Br)C)C 1P028B2J [0,2,0,0,0,0|0,0,2]=4 1067 B9R0.11 CC(CC(C(=O)O)(C)C)C 1P019ZBB [0,2,0,0,0,0|0,0,2]=4 1068 B9R0.11 CC(CC(C(=O)O)(F)F)C 1P028Z8S [0,2,0,0,0,0|0,0,2]=4 1069 B9R0.11 CC(CC(C(=O)O)(O)C)C 1P003HUB [0,2,0,0,0,0|0,0,2]=4 1070 B9R0.11 CC(C[C@@](C(=O)O)(N)C)C 1P001J7Z [0,2,0,0,0,0|0,0,2]=4 1071 B9R0.11 CC(C[C@](C(=O)O)(N)C)C 1P002ZBC [0,2,0,0,0,0|0,0,2]=4 1072 B9R0.11 CC(OC(C(=O)O)(C)C)C 1P01APMS [0,2,0,0,0,0|1,0,1]=4 1073 B9R0.11 CC(S(=O)(=O)CC(=O)O)C 1P006ZQY [0,2,0,0,0,0|1,0,1]=4 1074 B9R0.39 CC(C=C(C(=O)O)C#N)C 1P005SSN [0,2,0,0,0,0|0,0,0]=2 1075 B9R0.39 CCC(C(=O)O)CC(C)C 1P0083IU [0,2,0,0,0,0|0,0,2]=4 1076 B9R0.39 CCC(C(=O)O)NC(C)C 1P01B202 [0,2,0,0,0,0|1,0,1]=4 1077 B9R0.39 CCC(C(C)C)CC(=O)O 1P01ABIR [0,2,0,0,0,0|0,0,2]=4 1078 B9R0.39 CC[C@@H](C(C)C)CC(=O)O 1P01EKLC [0,2,0,0,0,0|0,0,2]=4 1079 B9R0.39 CNC(C(=O)O)CC(C)C 1P003TO9 [0,2,0,0,0,0|0,0,2]=4 1080 B9R0.39 CN[C@@H](C(=O)O)CC(C)C 1P0017B8 [0,2,0,0,0,0|0,0,2]=4 1081 B9R0.39 CN[C@@H](C(=O)O)CC(C)C 1P00D0O0 [0,2,0,0,0,0|0,0,2]=4 1082 B9R0.39 CN[C@H](C(=O)O)CC(C)C 1P003147 [0,2,0,0,0,0|0,0,2]=4 1083 B9R0.39 CN[C@H](C(=O)O)CC(C)C 1P00FAQ4 [0,2,0,0,0,0|0,0,2]=4 1084 B9R0.39 COC(C(=O)O)CC(C)C 1P01C3J5 [0,2,0,0,0,0|0,0,2]=4 1085 B9R0.39 NCC(C(=O)O)CC(C)C 1P01BHB2 [0,2,0,0,0,0|0,0,2]=4 1086 B9R0.39 NC[C@@H](C(=O)O)CC(C)C 1P0029LH [0,2,0,0,0,0|0,0,2]=4 1087 B9R0.39 NC[C@@H](C(=O)O)CC(C)C 1P009KAI [0,2,0,0,0,0|0,0,2]=4 1088 B9R0.39 NC[C@H](C(=O)O)CC(C)C 1P0011CS [0,2,0,0,0,0|0,0,2]=4 1089 B9R0.39 NC[C@H](C(=O)O)CC(C)C 1P002L6N [0,2,0,0,0,0|0,0,2]=4 1090 B9R0.39 NOC(C(=O)O)CC(C)C 1P028TYF [0,2,0,0,0,0|0,0,2]=4 1091 B9R0.39 O=NN(C(C)C)CC(=O)O 1P028LI8 [0,2,0,0,0,0|1,0,1]=4 1092 B9R0.39 OCC(C(=O)O)NC(C)C 1P01BBR4 [0,2,0,0,0,0|1,0,1]=4 1093 B9R0.57 CC(=CC(C)(C)C)C(=O)O 1P01AFJP [0,2,0,0,0,0|0,0,0]=2 1094 B9R0.57 CC(=O)C(=O)OC(C)(C)C 1P008P5M [0,2,0,0,0,0|2,0,0]=4 1095 B9R0.57 CC(C(=O)O)CC(C)(C)C 1P01ADOK [0,2,0,0,0,0|0,0,2]=4 1096 B9R0.57 CC(C(=O)O)CC(N)(C)C 1P01AGET [0,2,0,0,0,0|0,0,2]=4 1097 B9R0.57 CC(C(=O)O)NC(C)(C)C 1P023JD4 [0,2,0,0,0,0|1,0,1]=4 1098 B9R0.57 CC(C(=O)O)OC(C)(C)C 1P01ZYQ1 [0,2,0,0,0,0|1,0,1]=4 1099 B9R0.57 C[C@@H](C(=O)O)OC(C)(C)C 1P028YEC [0,2,0,0,0,0|1,0,1]=4 1100 B9R0.57 C[C@H](C(=O)O)OC(C)(C)C 1P028YR9 [0,2,0,0,0,0|1,0,1]=4 1101 B9R0.57 FC(C(=O)O)CC(C)(C)C 1P027UGQ [0,2,0,0,0,0|0,0,2]=4 1102 B9R0.57 NC(C(=O)O)CC(C)(C)C 1P00E9L2 [0,2,0,0,0,0|0,0,2]=4 1103 B9R0.57 NC(C(=O)O)CC(C)(C)C 1P01A2A3 [0,2,0,0,0,0|0,0,2]=4 1104 B9R0.57 NC(C(=O)O)CC(Cl)(C)C 1P01C5Z3 [0,2,0,0,0,0|0,0,2]=4 1105 B9R0.57 N[C@@H](C(=O)O)CC(C)(C)C 1P0032VI [0,2,0,0,0,0|0,0,2]=4 1106 B9R0.57 N[C@H](C(=O)O)CC(C)(C)C 1P003D1J [0,2,0,0,0,0|0,0,2]=4 1107 B9R0.57 N[C@H](C(=O)O)CC(C)(C)C 1P0286IT [0,2,0,0,0,0|0,0,2]=4 1108 B9R0.57 N[C@H](C(=O)O)CC(F)(C)C 1P00G494 [0,2,0,0,0,0|0,0,2]=4 1109 B9R0.57 O=C(C(=O)Cl)OC(C)(C)C 1P007720 [0,2,0,0,0,0|2,0,0]=4 1110 B9R0.57 O=C(C(=O)N)OC(C)(C)C 1P019FAI [0,2,0,0,0,0|2,0,0]=4 1111 B9R0.57 O=C(C(=O)O)CC(C)(C)C 1P00C035 [0,2,0,0,0,0|0,0,1]=3 1112 B9R0.57 O=C(C(=O)O)NC(C)(C)C 1P00ADE8 [0,2,0,0,0,0|1,0,0]=3 1113 B9R0.57 O=C(C(=O)O)OC(C)(C)C 1P0251BN [0,2,0,0,0,0|1,0,0]=3 1114 B9R0.57 OC(=O)C(=O)N=S(=O)(C)C 1P01DWIZ [0,2,0,0,0,0|2,0,0]=4 1115 B9R0.57 OC(C(=O)O)CC(C)(C)C 1P006TTC [0,2,0,0,0,0|0,0,2]=4 1116 B9R0.79 CC(C(C(C(=O)O)C)O)C 1P0291EG [0,2,0,0,0,0|0,0,2]=4 1117 B9R0.79 CC(C(C(C(=O)O)N)C)C 1P01AG6A [0,2,0,0,0,0|0,0,2]=4 1118 B9R0.79 CC(C(C(C(=O)O)N)C)C 1P028O9Y [0,2,0,0,0,0|0,0,2]=4 1119 B9R0.79 CC(C(C(C(=O)O)N)O)C 1P00FUN1 [0,2,0,0,0,0|0,0,2]=4 1120 B9R0.79 CC(C(C(C(=O)O)O)O)C 1P028OZZ [0,2,0,0,0,0|0,0,2]=4 1121 B9R0.79 CC(C([C@@H](C(=O)O)N)F)C 1P01FIWR [0,2,0,0,0,0|0,0,2]=4 1122 B9R0.79 CC(N(C(=O)C(=O)O)O)C 1P01A4JU [0,2,0,0,0,0|1,0,0]=3 1123 B9R0.79 CC([C@@H]([C@@H](C(=O)O)N)O)C 1P00051U [0,2,0,0,0,0|0,0,2]=4 1124 B9R0.79 CC([C@@H]([C@H](C(=O)O)C)O)C 1P00LU0B [0,2,0,0,0,0|0,0,2]=4 1125 B9R0.79 CC([C@@H]([C@H](C(=O)O)N)O)C 1P004GUQ [0,2,0,0,0,0|0,0,2]=4 1126 B9R0.79 CC([C@H]([C@@H](C(=O)O)N)O)C 1P00051T [0,2,0,0,0,0|0,0,2]=4 1127 B9R0.79 OC(=O)C(C(=C(C)C)C)N 1P028PZ1 [0,2,0,0,0,0|0,0,2]=4 1128 B7R1.2 BrC1C=CC(=O)O1 1P00CLVZ [1,0,0,1,0,0|1,0,0]=3 1129 B7R1.2 CC1=CCC(=O)O1 1P001512 [1,0,0,1,0,0|0,0,2]=4 1130 B7R1.2 CC1C=CC(=O)O1 1P0034RE [1,0,0,1,0,0|0,0,0]=2 1131 B7R1.2 CC1C=CC(=O)S1 1P006AW5 [1,0,0,1,0,0|0,1,0]=3 1132 B7R1.2 CC1CC(=O)CN1 1P021X75 [1,0,0,1,0,0|1,0,1]=4 1133 B7R1.2 CC1CC(=O)CS1 1P019UCN [1,0,0,1,0,0|1,0,1]=4 1134 B7R1.2 CC1CC(=O)NC1 1P0039AR [1,0,0,1,0,0|1,0,1]=4 1135 B7R1.2 CC1CC(=O)OC1 1P00ARBT [1,0,0,1,0,0|1,0,1]=4 1136 B7R1.2 CC1CCC(=O)C1 1P0021LM [1,0,0,1,0,0|0,0,2]=4 1137 B7R1.2 CC1CCC(=O)O1 1P0035FE [1,0,0,1,0,0|0,0,2]=4 1138 B7R1.2 CC1CNC(=O)O1 1P007BAB [1,0,0,1,0,0|1,0,1]=4 1139 B7R1.2 CC1COC(=O)O1 1P0035ZW [1,0,0,1,0,0|1,0,1]=4 1140 B7R1.2 CC1NNC(=O)C1 1P008YFX [1,0,0,1,0,0|2,0,0]=4 1141 B7R1.2 C[C@@H]1CC(=O)CN1 1P024WZB [1,0,0,1,0,0|1,0,1]=4 1142 B7R1.2 C[C@@H]1CC(=O)CN1 1P028JFG [1,0,0,1,0,0|1,0,1]=4 1143 B7R1.2 C[C@@H]1CC(=O)NC1 1P002RUA [1,0,0,1,0,0|1,0,1]=4 1144 B7R1.2 C[C@@H]1CCC(=O)C1 1P003CMA [1,0,0,1,0,0|0,0,2]=4 1145 B7R1.2 C[C@@H]1CCC(=O)O1 1P00IAXM [1,0,0,1,0,0|0,0,2]=4 1146 B7R1.2 C[C@@H]1CNC(=O)O1 1P00HCN8 [1,0,0,1,0,0|1,0,1]=4 1147 B7R1.2 C[C@@H]1COC(=O)O1 1P001WYA [1,0,0,1,0,0|1,0,1]=4 1148 B7R1.2 C[C@H]1CC(=O)CN1 1P024HQB [1,0,0,1,0,0|1,0,1]=4 1149 B7R1.2 C[C@H]1CC(=O)NC1 1P00I6FM [1,0,0,1,0,0|1,0,1]=4 1150 B7R1.2 C[C@H]1CC(=O)OC1 1P00EB7B [1,0,0,1,0,0|1,0,1]=4 1151 B7R1.2 C[C@H]1CCC(=O)C1 1P00H79H [1,0,0,1,0,0|0,0,2]=4 1152 B7R1.2 C[C@H]1CCC(=O)O1 1P01A6OX [1,0,0,1,0,0|0,0,2]=4 1153 B7R1.2 C[C@H]1COC(=O)O1 1P0032OB [1,0,0,1,0,0|1,0,1]=4 1154 B7R1.2 Cc1ccc(o1)Br 1P000LMO [1,0,0,1,0,0|1,0,1]=4 1155 B7R1.2 Cc1ccc(o1)C 1P00IBHV [1,0,0,1,0,0|1,0,1]=4 1156 B7R1.2 Cc1ccc(s1)O 1P01DWX2 [1,0,0,1,0,0|0,1,1]=4 1157 B7R1.2 Cn1ccc(=O)[nH]1 1P00DIE4 [1,0,0,1,0,0|2,0,0]=4 1158 B7R1.2 O=C1C=CC(=O)C1 1P003LQK [1,0,0,1,0,0|1,0,1]=4 1159 B7R1.2 O=C1C=CC(=O)O1 1P0035KZ [1,0,0,1,0,0|1,0,1]=4 1160 B7R1.2 O=C1C=CC(=O)O1 1P01G8TR [1,0,0,1,0,0|1,0,1]=4 1161 B7R1.2 O=C1CC=C(O1)C 1P0035K2 [1,0,0,1,0,0|0,0,2]=4 1162 B7R1.2 OC1C=CC(=O)C1 1P00EJSF [1,0,0,1,0,0|1,0,0]=3 1163 B7R1.2 OC1C=CC(=O)O1 1P001CQE [1,0,0,1,0,0|1,0,0]=3 1164 B7R1.2 O[C@@H]1C=C[C@@H](C1)O 1P003PFT [1,0,0,1,0,0|1,0,1]=4 1165 B7R1.2 O[C@H]1C=CC(=O)C1 1P00E9HE [1,0,0,1,0,0|1,0,0]=3 1166 B7R1.3 C1CC=NC(=O)N1 1P023TVL [1,0,0,1,0,0|2,0,0]=4 1167 B7R1.3 CC1CCC=CC1 1P003M66 [1,0,0,1,0,0|1,0,1]=4 1168 B7R1.3 CC1CCCC=C1 1P003K57 [1,0,0,1,0,0|1,0,1]=4 1169 B7R1.3 O=C1CCCC=C1 1P0033QS [1,0,0,1,0,0|1,0,0]=3 1170 B7R1.3 O=C1CCCCO1 1P00IA55 [1,0,0,1,0,0|0,0,2]=4 1171 B7R1.3 O=C1CCNC=C1 1P002PGW [1,0,0,1,0,0|2,0,0]=4 1172 B7R1.3 O=C1CCOC=C1 1P004TYE [1,0,0,1,0,0|2,0,0]=4 1173 B7R1.3 O=C1CNCC=C1 1P028FY8 [1,0,0,1,0,0|2,0,0]=4 1174 B7R1.3 O=C1CNCCO1 1P00DJZ1 [1,0,0,1,0,0|1,0,1]=4 1175 B7R1.3 O=C1COCC=C1 1P00IKIB [1,0,0,1,0,0|2,0,0]=4 1176 B7R1.3 O=C1COCCO1 1P0030I9 [1,0,0,1,0,0|1,0,1]=4 1177 B7R1.3 O=C1NCCC=C1 1P00EDGZ [1,0,0,1,0,0|1,0,0]=3 1178 B7R1.3 O=C1NCCCO1 1P003E20 [1,0,0,1,0,0|1,0,1]=4 1179 B7R1.3 O=C1OCCC=C1 1P003MQL [1,0,0,1,0,0|0,0,0]=2 1180 B7R1.3 O=C1OCCCO1 1P002OWF [1,0,0,1,0,0|1,0,1]=4 1181 B7R1.3 O=c1cccco1 1P003O98 [1,0,0,1,0,0|0,0,2]=4 1182 B7R1.3 OC1CCCC=C1 1P003HL7 [1,0,0,1,0,0|1,0,1]=4 1183 B7R1.3 OC1COCC=C1 1P00E6GS [1,0,0,1,0,0|1,0,1]=4 1184 B7R1.3 O[C@@H]1CCCC=C1 1P007HSE [1,0,0,1,0,0|1,0,1]=4 1185 B7R1.3 O[C@H]1CCCC=C1 1P01JFX5 [1,0,0,1,0,0|1,0,1]=4 1186 B7R1.7 NCC=CC1CC1 1P01AMKL [1,0,0,1,0,0|1,0,1]=4 1187 B7R1.7 O=CCCC1CC1 1P00DKQ3 [1,0,0,1,0,0|0,0,2]=4 1188 B7R1.7 OC\C=C/C1CC1 1P0287QQ [1,0,0,1,0,0|0,0,1]=3 1189 B7R1.7 OC\C=C\C1CC1 1P001RIK [1,0,0,1,0,0|0,0,1]=3 1190 B7R1.7 ON=CCC1CC1 1P01EK78 [1,0,0,1,0,0|1,0,1]=4 1191 B7R1.12 CC1=CC1C(=O)O 1P01A35R [1,0,0,1,0,0|0,0,2]=4 1192 B7R1.12 CC1CC1C(=O)O 1P002Z71 [1,0,0,1,0,0|0,0,2]=4 1193 B7R1.12 CC1CC1C(=O)O 1P00EK9C [1,0,0,1,0,0|0,0,2]=4 1194 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 1P00BJDC [1,0,0,1,0,0|0,0,2]=4 1195 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 1P00ELZP [1,0,0,1,0,0|0,0,2]=4 1196 B7R1.12 C[C@@H]1O[C@H]1C(=O)O 1P01B6TE [1,0,0,1,0,0|1,0,1]=4 1197 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 1P00ARLC [1,0,0,1,0,0|0,0,2]=4 1198 B7R1.12 C[C@H]1C[C@H]1C(=O)O 1P002ZI0 [1,0,0,1,0,0|0,0,2]=4 1199 B7R1.14 CC1(C)CCC=C1 1P00EVES [1,0,0,1,0,0|1,0,1]=4 1200 B7R1.14 CC1(C)NCC=C1 1P028N3A [1,0,0,1,0,0|1,0,1]=4 1201 B7R1.14 CC1(C)OCC=C1 1P028SZ9 [1,0,0,1,0,0|0,0,1]=3 1202 B7R1.14 FP1(=O)CCC=C1 1P01RO3B [1,0,0,1,0,0|2,0,0]=4 1203 B7R1.14 O=S1(=O)CCC=C1 1P000ISO [1,0,0,1,0,0|1,0,1]=4 1204 B7R1.17 O=C1CCC1(C)C 1P000PMW [1,0,0,1,0,0|0,0,2]=4 1205 B7R1.17 O=C1COC1(C)C 1P00ILW0 [1,0,0,1,0,0|1,0,1]=4 1206 B7R1.17 O=C1NCC1(C)C 1P005SY2 [1,0,0,1,0,0|1,0,1]=4 1207 B7R1.17 O=C1OCC1(C)C 1P00AEIM [1,0,0,1,0,0|1,0,1]=4 1208 B7R1.18 OC(=O)C1=CCC1 1P00BJ3Y [1,0,0,1,0,0|0,0,0]=2 1209 B7R1.18 OC(=O)C1CCC1 1P00353Z [1,0,0,1,0,0|0,0,2]=4 1210 B7R1.18 OC(=O)C1CCN1 1P002R80 [1,0,0,1,0,0|1,0,1]=4 1211 B7R1.18 OC(=O)C1CCO1 1P0036EM [1,0,0,1,0,0|1,0,1]=4 1212 B7R1.18 OC(=O)[C@@H]1CCN1 1P003827 [1,0,0,1,0,0|1,0,1]=4 1213 B7R1.18 OC(=O)[C@@H]1CCO1 1P01JUQJ [1,0,0,1,0,0|1,0,1]=4 1214 B7R1.18 OC(=O)[C@H]1CCN1 1P005DGN [1,0,0,1,0,0|1,0,1]=4 1215 B7R1.18 OC(=O)[C@H]1CCN1 1P00EIWE [1,0,0,1,0,0|1,0,1]=4 1216 B7R1.18 OC(=O)[C@H]1CCO1 1P01JUNT [1,0,0,1,0,0|1,0,1]=4 1217 B7R1.20 OC(=O)C=C1CC1 1P00F046 [1,0,0,1,0,0|0,0,0]=2 1218 B7R1.20 OC(=O)CC1CC1 1P00395B [1,0,0,1,0,0|0,0,2]=4 1219 B7R1.23 O=CC1CC1(C)C 1P002S7I [1,0,0,1,0,0|0,0,2]=4 1220 B7R1.23 O=CC1OC1(C)C 1P01B68F [1,0,0,1,0,0|1,0,1]=4 1221 B7R1.23 O=C[C@H]1CC1(C)C 1P01C9FL [1,0,0,1,0,0|0,0,2]=4 1222 B7R1.16 O=C1CC(C1)(C)C 1P000ITC [0,0,0,1,1,0|1,0,1]=4 1223 B7R1.16 O=C1CC(N1)(C)C 1P00DP7Y [0,0,0,1,1,0|1,0,1]=4 1224 B9R1.35 CC(C1=NNC(=O)C1)C 1P002Y64 [0,0,0,1,0,1|2,0,0]=4 1225 B9R1.35 CC(C1=NOC(=O)C1)C 1P01DWRR [0,0,0,1,0,1|2,0,0]=4 1226 B9R1.35 CC(C1CNC(=O)O1)C 1P018SIK [0,0,0,1,0,1|0,0,2]=4 1227 B9R1.35 CC(c1[nH]cc(n1)Br)C 1P009EE8 [0,0,0,1,0,1|2,0,0]=4 1228 B9R1.35 CC(c1[nH]nc(c1)O)C 1P00CY5K [0,0,0,1,0,1|2,0,0]=4 1229 B9R1.35 CC(c1ccc(o1)Br)N 1P01JV5M [0,0,0,1,0,1|2,0,0]=4 1230 B9R1.35 CC(c1cnc([nH]1)N)C 1P0288D6 [0,0,0,1,0,1|2,0,0]=4 1231 B9R1.35 CC(c1cnc(o1)Br)C 1P01DW7O [0,0,0,1,0,1|1,0,0]=3 1232 B9R1.35 CC(c1cnc(o1)Cl)C 1P01DTG4 [0,0,0,1,0,1|1,0,0]=3 1233 B9R1.35 CC(c1cnc(s1)Br)C 1P000HR5 [0,0,0,1,0,1|1,1,0]=4 1234 B9R1.35 CC(c1cnc(s1)N)C 1P00045F [0,0,0,1,0,1|1,1,0]=4 1235 B9R1.35 CC(c1coc(n1)N)C 1P002LUW [0,0,0,1,0,1|2,0,0]=4 1236 B9R1.35 CC(c1csc(=O)[nH]1)C 1P009QOV [0,0,0,1,0,1|1,0,0]=3 1237 B9R1.35 CC(c1csc(n1)Br)C 1P0008IL [0,0,0,1,0,1|2,0,0]=4 1238 B9R1.35 CC(c1csc(n1)N)C 1P003GW5 [0,0,0,1,0,1|2,0,0]=4 1239 B9R1.35 CC(c1csc(n1)N)C 1P019SAC [0,0,0,1,0,1|2,0,0]=4 1240 B9R1.35 CC(c1csc(n1)S)C 1P00CYOW [0,0,0,1,0,1|1,1,0]=4 1241 B9R1.35 CC(c1n[nH]c(=O)[nH]1)C 1P01BSON [0,0,0,1,0,1|2,0,0]=4 1242 B9R1.35 CC(c1n[nH]c(=O)o1)C 1P007UP0 [0,0,0,1,0,1|1,0,0]=3 1243 B9R1.35 CC(c1n[nH]c(=S)o1)C 1P0078AB [0,0,0,1,0,1|1,1,0]=4 1244 B9R1.35 CC(c1nc([nH]c1)Br)C 1P028WCF [0,0,0,1,0,1|2,0,0]=4 1245 B9R1.35 CC(c1nc([nH]c1)S)C 1P01EBQZ [0,0,0,1,0,1|1,1,0]=4 1246 B9R1.35 CC(c1ncc([nH]1)C)C 1P00CLEL [0,0,0,1,0,1|2,0,0]=4 1247 B9R1.35 CC(c1ncc(o1)Br)C 1P01DWGL [0,0,0,1,0,1|1,0,0]=3 1248 B9R1.35 CC(c1ncc(s1)Br)C 1P008VKF [0,0,0,1,0,1|1,1,0]=4 1249 B9R1.35 CC(c1nnc(o1)Br)C 1P01APMM [0,0,0,1,0,1|2,0,0]=4 1250 B9R1.35 CC(c1nnc(o1)Cl)C 1P01BU7M [0,0,0,1,0,1|2,0,0]=4 1251 B9R1.35 CC(c1nnc(o1)N)C 1P00EE8X [0,0,0,1,0,1|2,0,0]=4 1252 B9R1.35 CC(c1nnc(s1)O)C 1P00GKXA [0,0,0,1,0,1|1,1,0]=4 1253 B9R1.35 CC(c1nsc(=O)o1)C 1P01A69C [0,0,0,1,0,1|1,0,0]=3 1254 B9R1.35 CC(c1o[nH]c(=O)c1)C 1P0094AT [0,0,0,1,0,1|2,0,0]=4 1255 B9R1.35 CC(c1scc(n1)Br)C 1P00C8PX [0,0,0,1,0,1|2,0,0]=4 1256 B9R1.35 CC(n1ccc(n1)Br)C 1P01AP4X [0,0,0,1,0,1|2,0,0]=4 1257 B9R1.35 CC(n1ccc(n1)I)C 1P01AP51 [0,0,0,1,0,1|2,0,0]=4 1258 B9R1.35 CC(n1ccc(n1)N)C 1P0036V1 [0,0,0,1,0,1|2,0,0]=4 1259 B9R1.35 CC(n1ccc(n1)O)C 1P002LEV [0,0,0,1,0,1|1,0,0]=3 1260 B9R1.35 CC(n1ncc(c1)O)C 1P005JAT [0,0,0,1,0,1|2,0,0]=4 1261 B9R1.35 CC1CC(=NO1)C(=O)O 1P028KSF [0,0,0,1,0,1|1,0,0]=3 1262 B9R1.35 CC1CCC(=C1)C(=O)O 1P01A00Q [0,0,0,1,0,1|0,0,2]=4 1263 B9R1.35 CC1CCC(C1)C(=O)O 1P00BFWE [0,0,0,1,0,1|0,0,2]=4 1264 B9R1.35 CC1OCC(C1)C(=O)O 1P01AGK8 [0,0,0,1,0,1|0,0,2]=4 1265 B9R1.35 CN1CC(=CC1)C(=O)O 1P028S9Q [0,0,0,1,0,1|1,0,0]=3 1266 B9R1.35 CN1CC(N=C1)C(=O)O 1P01A367 [0,0,0,1,0,1|1,0,1]=4 1267 B9R1.35 C[C@@H](c1ccc(o1)Br)N 1P01JV5J [0,0,0,1,0,1|2,0,0]=4 1268 B9R1.35 C[C@@H](c1n[nH]c(=O)o1)N 1P028E89 [0,0,0,1,0,1|2,0,0]=4 1269 B9R1.35 C[C@@H]1C[C@H](NC1)C(=O)O 1P00BICG [0,0,0,1,0,1|0,0,2]=4 1270 B9R1.35 C[C@H](c1ccc(o1)Br)N 1P01JV5K [0,0,0,1,0,1|2,0,0]=4 1271 B9R1.35 C[C@H](c1n[nH]c(=O)o1)N 1P028E0U [0,0,0,1,0,1|2,0,0]=4 1272 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O 1P00FBCG [0,0,0,1,0,1|0,0,2]=4 1273 B9R1.35 Cc1c[nH]c(n1)C(=O)O 1P00674D [0,0,0,1,0,1|1,0,1]=4 1274 B9R1.35 Cc1c[nH]c(n1)C(=O)O 1P01C2ZS [0,0,0,1,0,1|1,0,1]=4 1275 B9R1.35 Cc1cc([nH]c1)C(=O)O 1P003842 [0,0,0,1,0,1|0,0,2]=4 1276 B9R1.35 Cc1cc(sc1)C(=O)O 1P006XY7 [0,0,0,1,0,1|0,0,2]=4 1277 B9R1.35 Cc1ccc([nH]1)C(=O)O 1P00380V [0,0,0,1,0,1|1,0,1]=4 1278 B9R1.35 Cc1ccc(o1)C(=O)O 1P002FW0 [0,0,0,1,0,1|1,0,1]=4 1279 B9R1.35 Cc1ccc(o1)C(N)C 1P00EECV [0,0,0,1,0,1|2,0,0]=4 1280 B9R1.35 Cc1ccc(o1)[C@@H](O)C 1P019RPC [0,0,0,1,0,1|2,0,0]=4 1281 B9R1.35 Cc1ccc(o1)[C@H](N)C 1P01KA8N [0,0,0,1,0,1|2,0,0]=4 1282 B9R1.35 Cc1ccc(s1)C(=O)O 1P002FXV [0,0,0,1,0,1|1,0,1]=4 1283 B9R1.35 Cc1ccn(n1)C(C)C 1P00AUGZ [0,0,0,1,0,1|2,0,0]=4 1284 B9R1.35 Cc1cnc(o1)C(N)C 1P01A5ST [0,0,0,1,0,1|2,0,0]=4 1285 B9R1.35 Cc1cnc(s1)C(=O)O 1P00EAXU [0,0,0,1,0,1|1,0,1]=4 1286 B9R1.35 Cc1csc(n1)C(=O)O 1P001DHN [0,0,0,1,0,1|1,0,1]=4 1287 B9R1.35 Cc1csc(n1)C(C)C 1P001PGO [0,0,0,1,0,1|2,0,0]=4 1288 B9R1.35 Cc1nc(c[nH]1)C(=O)O 1P00J21I [0,0,0,1,0,1|1,0,1]=4 1289 B9R1.35 Cc1nc(co1)C(=O)O 1P002MBJ [0,0,0,1,0,1|1,0,1]=4 1290 B9R1.35 Cc1nc(cs1)C(=O)O 1P00BYXQ [0,0,0,1,0,1|1,0,1]=4 1291 B9R1.35 Cc1nc(cs1)C(=O)O 1P01BF4Y [0,0,0,1,0,1|1,0,1]=4 1292 B9R1.35 Cc1ncc([nH]1)C(=O)O 1P001DSK [0,0,0,1,0,1|1,0,1]=4 1293 B9R1.35 Cc1ncc(o1)C(=O)O 1P0015U6 [0,0,0,1,0,1|1,0,1]=4 1294 B9R1.35 Cc1ncc(s1)C(=O)O 1P0033UI [0,0,0,1,0,1|1,0,1]=4 1295 B9R1.35 Cc1occ(c1)C(=O)O 1P00BGK8 [0,0,0,1,0,1|0,0,2]=4 1296 B9R1.35 Cc1scc(c1)C(=O)O 1P002FSF [0,0,0,1,0,1|0,0,2]=4 1297 B9R1.35 Cc1scc(n1)C(C)C 1P00CZGP [0,0,0,1,0,1|2,0,0]=4 1298 B9R1.35 Cn1cc(nc1)C(=O)O 1P003EZB [0,0,0,1,0,1|1,0,1]=4 1299 B9R1.35 Cn1ccc(c1)C(=O)O 1P00CJ7K [0,0,0,1,0,1|1,0,1]=4 1300 B9R1.35 Cn1ccc(n1)C(=O)O 1P002QO3 [0,0,0,1,0,1|2,0,0]=4 1301 B9R1.35 Cn1cnc(n1)C(=O)O 1P00G9YP [0,0,0,1,0,1|2,0,0]=4 1302 B9R1.35 Cn1nc(cn1)C(=O)O 1P01A8Z4 [0,0,0,1,0,1|2,0,0]=4 1303 B9R1.35 Cn1ncc(c1)C(=O)O 1P003EXY [0,0,0,1,0,1|1,0,1]=4 1304 B9R1.35 NC1CC(=CC1)C(=O)O 1P01B7AU [0,0,0,1,0,1|1,0,0]=3 1305 B9R1.35 NC1CC(C=C1)C(=O)O 1P019UK6 [0,0,0,1,0,1|1,0,0]=3 1306 B9R1.35 N[C@@H]1C[C@@H](C=C1)C(=O)O 1P000VLS [0,0,0,1,0,1|1,0,0]=3 1307 B9R1.35 N[C@@H]1C[C@@H](C=C1)C(=O)O 1P009G43 [0,0,0,1,0,1|1,0,0]=3 1308 B9R1.35 N[C@H]1C[C@H](C=C1)C(=O)O 1P00089L [0,0,0,1,0,1|1,0,0]=3 1309 B9R1.35 N[C@H]1C[C@H](C=C1)C(=O)O 1P000VLR [0,0,0,1,0,1|1,0,0]=3 1310 B9R1.35 OC(=O)c1c[nH]c(c1)C 1P000145 [0,0,0,1,0,1|0,0,2]=4 1311 B9R1.35 OC(=O)c1csc(n1)C 1P00J3X4 [0,0,0,1,0,1|1,0,1]=4 1312 B9R1.35 Oc1onc(n1)C(C)C 1P00DDND [0,0,0,1,0,1|2,0,0]=4 1313 B9R1.46 C[C@@H]1C[C@H]1CCC(=O)O 1P02888H [0,0,0,1,0,1|0,0,2]=4 1314 B9R1.46 C[C@@H]1C[C@H]1\C=C\C(=O)O 1P028CVI [0,0,0,1,0,1|0,0,0]=2 1315 B9R1.53 CC1CC(C1)CC(=O)O 1P01JUW8 [0,0,0,1,0,1|0,0,2]=4 1316 B9R1.53 CC1CN(C1)CC(=O)O 1P01ALYT [0,0,0,1,0,1|0,0,2]=4 1317 B9R1.66 O=C1C=COC(O1)(C)C 1P024DEK [0,0,0,1,0,1|0,0,0]=2 1318 B9R1.66 O=C1CCCC(O1)(C)C 1P002S4V [0,0,0,1,0,1|0,0,2]=4 1319 B9R1.66 OC1C=CCC(C1)(C)C 1P0283T3 [0,0,0,1,0,1|1,0,1]=4 1320 B9R1.85 OC(=O)C#CCC1CC1 1P028L9D [0,0,0,1,0,1|0,0,2]=4 1321 B9R1.85 OC(=O)CCCC1CC1 1P01AL1K [0,0,0,1,0,1|0,0,2]=4 1322 B9R1.85 OC(=O)CCNC1CC1 1P0028H4 [0,0,0,1,0,1|0,0,2]=4 1323 B9R1.85 OC(=O)CCNC1CC1 1P019L49 [0,0,0,1,0,1|0,0,2]=4 1324 B9R1.85 OC(=O)CCOC1CC1 1P01BJDX [0,0,0,1,0,1|0,0,2]=4 1325 B9R1.85 OC(=O)CNCC1CC1 1P00F21A [0,0,0,1,0,1|0,0,2]=4 1326 B9R1.85 OC(=O)CNCC1CC1 1P01AD98 [0,0,0,1,0,1|0,0,2]=4 1327 B9R1.85 OC(=O)COCC1CC1 1P00C2X4 [0,0,0,1,0,1|0,0,2]=4 1328 B9R1.85 OC(=O)CSCC1CC1 1P00J2CH [0,0,0,1,0,1|0,0,2]=4 1329 B9R1.166 OC(=O)C1CCC1(C)C 1P01A2E9 [0,0,0,1,0,1|0,0,2]=4 1330 B9R1.166 OC(=O)C1NCC1(C)C 1P01C0IV [0,0,0,1,0,1|0,0,2]=4 1331 B9R1.166 OC(=O)C1OCC1(C)C 1P028PS1 [0,0,0,1,0,1|0,0,2]=4 1332 B9R1.166 OC(=O)[C@@H]1NCC1(C)C 1P01JURD [0,0,0,1,0,1|0,0,2]=4 1333 B9R1.166 OC(=O)[C@H]1NCC1(C)C 1P00ILKZ [0,0,0,1,0,1|0,0,2]=4 1334 B9R1.1 CCC1CCC(=O)C=C1 1P01BJI4 [0,1,0,1,0,0|1,0,0]=3 1335 B9R1.10 O=C1CCC(C=C1)(C)C 1P008S5C [0,1,0,1,0,0|1,0,0]=3 1336 B9R1.10 O=C1CCC(C=C1)(C)O 1P0281ZW [0,1,0,1,0,0|1,0,0]=3 1337 B9R1.10 O=C1CCC(C=C1)(F)F 1P01EMKM [0,1,0,1,0,0|2,0,0]=4 1338 B9R1.10 O=C1COC(CN1)(C)C 1P00HSV4 [0,1,0,1,0,0|1,0,1]=4 1339 B9R1.10 O=C1COC(OC1)(C)C 1P003FRV [0,1,0,1,0,0|1,0,1]=4 1340 B9R1.10 O=C1OCC(CO1)(C)C 1P0034ML [0,1,0,1,0,0|1,0,1]=4 1341 B9R1.67 CC(\C=C/1\CCC1=O)C 1P028NKD [0,1,0,1,0,0|1,0,0]=3 1342 B9R1.67 CC1CCN1CC(=O)O 1P01ALIX [0,1,0,1,0,0|1,0,1]=4 1343 B9R1.67 CN(\C=C\1/CCC1=O)C 1P01EMMR [0,1,0,1,0,0|2,0,0]=4 1344 B9R1.69 CC1CCC(=CC1=O)O 1P00AF9P [0,1,0,1,0,0|1,0,0]=3 1345 B9R1.69 CC1CCC(=O)NC1=O 1P002Z75 [0,1,0,1,0,0|2,0,0]=4 1346 B9R1.69 CC1CNC(=O)NC1=O 1P003MQO [0,1,0,1,0,0|2,0,0]=4 1347 B9R1.69 Cc1c(C)ccc(=O)[nH]1 1P007MBC [0,1,0,1,0,0|1,0,1]=4 1348 B9R1.69 Cn1ccc(=O)c(c1)O 1P00DIFA [0,1,0,1,0,0|1,0,1]=4 1349 B9R1.69 Oc1ccc([n+](c1)C)C 1P01EX1G [0,1,0,1,0,0|1,0,1]=4 1350 B9R1.69 Oc1ccc(c(c1)C)C 1P003IZJ [0,1,0,1,0,0|1,0,1]=4 1351 B9R1.80 COC(=O)C#CC1CC1 1P00G95X [0,1,0,1,0,0|0,0,2]=4 1352 B9R1.80 COC(=O)C=CC1CC1 1P00IB3L [0,1,0,1,0,0|0,0,0]=2 1353 B9R1.80 COC(=O)CNC1CC1 1P018SOM [0,1,0,1,0,0|1,0,1]=4 1354 B9R1.82 COC(=O)C1=CC(=O)C1 1P02863B [0,1,0,1,0,0|1,0,1]=4 1355 B9R1.82 COC(=O)C1CC(C1)C 1P00HY5Q [0,1,0,1,0,0|0,0,2]=4 1356 B9R1.82 COC(=O)C1CC(N1)C 1P028N1D [0,1,0,1,0,0|1,0,1]=4 1357 B9R1.84 OC(=O)C#CC1CCC1 1P01A5JC [0,1,0,1,0,0|0,0,2]=4 1358 B9R1.84 OC(=O)C#CC1CNC1 1P028PPD [0,1,0,1,0,0|0,0,2]=4 1359 B9R1.84 OC(=O)C=CC1CCC1 1P019UII [0,1,0,1,0,0|0,0,0]=2 1360 B9R1.84 OC(=O)CCC1CCC1 1P00D98Y [0,1,0,1,0,0|0,0,2]=4 1361 B9R1.84 OC(=O)CNC1CCC1 1P0284CG [0,1,0,1,0,0|1,0,1]=4 1362 B9R1.84 OC(=O)COC1CCC1 1P002EMZ [0,1,0,1,0,0|1,0,1]=4 1363 B9R1.84 OC(=O)COC1CNC1 1P01C6XS [0,1,0,1,0,0|1,0,1]=4 1364 B9R1.84 OC(=O)COC1CNC1 1P01C6XT [0,1,0,1,0,0|1,0,1]=4 1365 B9R1.84 OC(=O)\C=C\C1CCC1 1P01DH74 [0,1,0,1,0,0|0,0,0]=2 1366 B9R1.84 [O-][N+](=O)C=CC1CCC1 1P028G5P [0,1,0,1,0,0|1,0,1]=4 1367 B9R1.86 CC[C@@H]1C[C@H]1CC(=O)O 1P0285MJ [0,1,0,1,0,0|0,0,2]=4 1368 B9R1.95 BrCC1CC(C1)C(=O)O 1P00856Q [0,1,0,1,0,0|0,0,2]=4 1369 B9R1.95 CCC1CC(C1)C(=O)O 1P00FGGE [0,1,0,1,0,0|0,0,2]=4 1370 B9R1.95 CN[C@@H]1C[C@@H](C1)C(=O)O 1P01BW6H [0,1,0,1,0,0|0,0,2]=4 1371 B9R1.95 COC1CC(C1)C(=O)O 1P00DG9X [0,1,0,1,0,0|0,0,2]=4 1372 B9R1.95 CO[C@@H]1C[C@@H](C1)C(=O)O 1P00E8V0 [0,1,0,1,0,0|0,0,2]=4 1373 B9R1.95 CO[C@@H]1C[C@H](C1)C(=O)O 1P001DBH [0,1,0,1,0,0|0,0,2]=4 1374 B9R1.95 CSC1CC(C1)C(=O)O 1P027NSH [0,1,0,1,0,0|0,0,2]=4 1375 B9R1.95 CS[C@@H]1C[C@@H](C1)C(=O)O 1P028AOW [0,1,0,1,0,0|0,0,2]=4 1376 B9R1.95 CS[C@@H]1C[C@H](C1)C(=O)O 1P028SFQ [0,1,0,1,0,0|0,0,2]=4 1377 B9R1.95 FCC1CC(C1)C(=O)O 1P00Q5GM [0,1,0,1,0,0|0,0,2]=4 1378 B9R1.95 FC[C@@H]1C[C@H](C1)C(=O)O 1P0289PT [0,1,0,1,0,0|0,0,2]=4 1379 B9R1.95 NCC1CC(C1)C(=O)O 1P0023NM [0,1,0,1,0,0|0,0,2]=4 1380 B9R1.95 NC[C@@H]1C[C@@H](C1)C(=O)O 1P01JUV9 [0,1,0,1,0,0|0,0,2]=4 1381 B9R1.95 NC[C@@H]1C[C@H](C1)C(=O)O 1P0289JE [0,1,0,1,0,0|0,0,2]=4 1382 B9R1.125 CC1(CC)CCC(=O)O1 1P00BTK5 [0,1,0,1,0,0|0,0,2]=4 1383 B9R1.125 CC1(CI)CNC(=O)O1 1P01P7B7 [0,1,0,1,0,0|1,0,1]=4 1384 B9R1.125 CC1(CN)CNC(=O)O1 1P027WKB [0,1,0,1,0,0|1,0,1]=4 1385 B9R1.125 CC1(CO)CNC(=O)O1 1P02236N [0,1,0,1,0,0|1,0,1]=4 1386 B9R1.127 CC1(CC)CC1C(=O)O 1P01A00M [0,1,0,1,0,0|0,0,2]=4 1387 B9R1.133 COC1C=CS(=O)(=O)C1 1P01C30F [0,1,0,1,0,0|1,0,1]=4 1388 B9R1.138 O=C1C(=CCC1(C)C)Br 1P0280H9 [0,1,0,1,0,0|1,0,1]=4 1389 B9R1.138 OC1C(=O)NCC1(C)C 1P0065JS [0,1,0,1,0,0|1,0,1]=4 1390 B9R1.138 OC1C(=O)OCC1(C)C 1P00IDG4 [0,1,0,1,0,0|1,0,1]=4 1391 B9R1.138 O[C@@H]1C(=O)OCC1(C)C 1P003D2N [0,1,0,1,0,0|1,0,1]=4 1392 B9R1.138 O[C@H]1C(=O)OCC1(C)C 1P003554 [0,1,0,1,0,0|1,0,1]=4 1393 B9R1.147 OC(=O)C#CC1(N)CC1 1P028S4H [0,1,0,1,0,0|0,0,2]=4 1394 B9R1.147 OC(=O)CCC1(C)CC1 1P004JGG [0,1,0,1,0,0|0,0,2]=4 1395 B9R1.147 OC(=O)CCC1(F)CC1 1P027V3V [0,1,0,1,0,0|0,0,2]=4 1396 B9R1.147 OC(=O)COC1(C)CC1 1P028MOQ [0,1,0,1,0,0|1,0,1]=4 1397 B9R1.185 COC(=O)C1CC1(C)C 1P00IHYQ [0,1,0,1,0,0|0,0,2]=4 1398 B9R1.185 COC(=O)C1OC1(C)C 1P00E1IJ [0,1,0,1,0,0|1,0,1]=4 1399 B9R1.36 NC1CC(OC1=O)(C)C 1P01A2R5 [0,1,0,1,0,0|0,0,2]=4 1400 B9R1.36 O=C1NC(C=C1C)(C)C 1P01BJI7 [0,1,0,1,0,0|1,0,0]=3 1401 B9R1.36 O=C1OC(C=C1C)(C)O 1P020L2K [0,1,0,1,0,0|1,0,0]=3 1402 B9R1.36 O=C1OC(CC1C)(C)C 1P002S4U [0,1,0,1,0,0|0,0,2]=4 1403 B9R1.36 O=C1OC(OC1Br)(C)C 1P0289BI [0,1,0,1,0,0|1,0,1]=4 1404 B9R1.38 O=C1C=C(C(O1)(C)C)C 1P01C5FE [0,1,0,1,0,0|0,0,0]=2 1405 B9R1.38 O=C1C=C(C(O1)(C)C)O 1P019F55 [0,1,0,1,0,0|0,0,0]=2 1406 B9R1.38 O=C1CC(=O)C(C1)(C)C 1P00DVCO [0,1,0,1,0,0|1,0,1]=4 1407 B9R1.38 O=C1CC(=O)C(N1)(C)C 1P004309 [0,1,0,1,0,0|1,0,1]=4 1408 B9R1.38 O=C1N=C(C(N1)(C)C)N 1P019Z96 [0,1,0,1,0,0|2,0,0]=4 1409 B9R1.38 O=C1NC(=O)C(C1)(C)C 1P00CMVF [0,1,0,1,0,0|2,0,0]=4 1410 B9R1.38 O=C1NC(=O)C(N1)(C)C 1P002R4Q [0,1,0,1,0,0|2,0,0]=4 1411 B9R1.38 O=C1NC(=O)C(O1)(C)C 1P005WZ4 [0,1,0,1,0,0|1,0,0]=3 1412 B9R1.38 O=C1NC(=O)C(S1)(C)C 1P007H6R [0,1,0,1,0,0|1,1,0]=4 1413 B9R1.38 O=C1OC(=C)C(O1)(C)C 1P00D8M3 [0,1,0,1,0,0|1,0,0]=3 1414 B9R1.38 O=C1OC(=O)C(C1)(C)C 1P001ZEZ [0,1,0,1,0,0|2,0,0]=4 1415 B9R1.38 O=C1OC(=O)C(N1)(C)C 1P01DFBI [0,1,0,1,0,0|2,0,0]=4 1416 B9R1.45 CC1CC1C(C(=O)O)N 1P028YY8 [0,1,0,1,0,0|0,0,2]=4 1417 B9R1.112 CC(C(=O)O)CC1CC1 1P01DRRR [0,1,0,1,0,0|0,0,2]=4 1418 B9R1.112 C\C(=C/C1CC1)\C(=O)O 1P01EMJC [0,1,0,1,0,0|0,0,0]=2 1419 B9R1.112 FC(C(=O)O)CC1CC1 1P01DW04 [0,1,0,1,0,0|0,0,2]=4 1420 B9R1.112 F\C(=C/C1CC1)\C(=O)O 1P01DWHK [0,1,0,1,0,0|0,0,0]=2 1421 B9R1.112 NC(C(=O)O)CC1CC1 1P001Q81 [0,1,0,1,0,0|0,0,2]=4 1422 B9R1.112 NC(C(=O)O)CC1CC1 1P0022DY [0,1,0,1,0,0|0,0,2]=4 1423 B9R1.112 N[C@@H](C(=O)O)CC1CC1 1P0016I4 [0,1,0,1,0,0|0,0,2]=4 1424 B9R1.112 N[C@H](C(=O)O)CC1CC1 1P0008PS [0,1,0,1,0,0|0,0,2]=4 1425 B9R1.112 O=C(C(=O)O)NC1CC1 1P0027W2 [0,1,0,1,0,0|1,0,0]=3 1426 B9R1.112 OC(C(=O)O)CC1CC1 1P01DY7U [0,1,0,1,0,0|0,0,2]=4 1427 B9R1.112 O[C@@H](C(=O)O)CC1CC1 1P00200A [0,1,0,1,0,0|0,0,2]=4 1428 B9R1.112 O[C@H](C(=O)O)CC1CC1 1P01JMSK [0,1,0,1,0,0|0,0,2]=4 1429 B9R1.137 CC(=CC(=O)O)C1CC1 1P019WLX [0,1,0,1,0,0|0,0,0]=2 1430 B9R1.137 CC(C1CC1)CC(=O)O 1P019Y4O [0,1,0,1,0,0|0,0,2]=4 1431 B9R1.137 CN(C1CC1)CC(=O)O 1P018SS9 [0,1,0,1,0,0|1,0,1]=4 1432 B9R1.137 CN(C1CC1)CC(=O)O 1P028V0W [0,1,0,1,0,0|1,0,1]=4 1433 B9R1.137 C\C(=C/C(=O)N)\C1CC1 1P02937I [0,1,0,1,0,0|1,0,0]=3 1434 B9R1.137 NC(C1CC1)CC(=O)O 1P003JBL [0,1,0,1,0,0|0,0,2]=4 1435 B9R1.137 N[C@@H](C1CC1)CC(=O)O 1P01FIX5 [0,1,0,1,0,0|0,0,2]=4 1436 B9R1.137 N[C@H](C1CC1)CC(=O)O 1P01EM2U [0,1,0,1,0,0|0,0,2]=4 1437 B9R1.137 O=C(C1CC1)CC(=O)C 1P0039CN [0,1,0,1,0,0|1,0,1]=4 1438 B9R1.139 F[C@H]1[C@@H](C1(C)C)C(=O)O 1P027WEU [0,1,0,1,0,0|0,0,2]=4 1439 B9R1.139 F[C@H]1[C@H](C1(C)C)C(=O)O 1P027YST [0,1,0,1,0,0|0,0,2]=4 1440 B9R1.152 CC1CC(C1)(C)C(=O)O 1P01DX53 [0,1,0,1,0,0|0,0,2]=4 1441 B9R1.152 CC1CC(C1)(N)C(=O)O 1P01BJJQ [0,1,0,1,0,0|0,0,2]=4 1442 B9R1.152 C[C@@H]1C[C@@](C1)(N)C(=O)O 1P01XAK3 [0,1,0,1,0,0|0,0,2]=4 1443 B9R1.152 C[C@@H]1C[C@](C1)(N)C(=O)O 1P00AM5Y [0,1,0,1,0,0|0,0,2]=4 1444 B9R1.164 OC(=O)C1=CC(C1)(C)C 1P00CT05 [0,1,0,1,0,0|0,0,0]=2 1445 B9R1.164 OC(=O)C1CC(C1)(C)C 1P0038ID [0,1,0,1,0,0|0,0,2]=4 1446 B9R1.164 OC(=O)C1CC(C1)(C)F 1P001STI [0,1,0,1,0,0|0,0,2]=4 1447 B9R1.164 OC(=O)C1CC(C1)(C)O 1P001TYR [0,1,0,1,0,0|0,0,2]=4 1448 B9R1.164 OC(=O)C1CC(C1)(C)O 1P01K8G5 [0,1,0,1,0,0|0,0,2]=4 1449 B9R1.164 OC(=O)[C@@H]1C[C@@](C1)(C)F 1P001DLA [0,1,0,1,0,0|0,0,2]=4 1450 B9R1.164 OC(=O)[C@@H]1C[C@@](C1)(C)O 1P00AAYZ [0,1,0,1,0,0|0,0,2]=4 1451 B9R1.164 OC(=O)[C@@H]1C[C@](C1)(C)O 1P0019QF [0,1,0,1,0,0|0,0,2]=4 1452 B9R1.169 OC(=O)C1(Br)CC1(C)C 1P028U3O [0,1,0,1,0,0|0,0,2]=4 1453 B9R1.169 OC(=O)C1(C)CC1(C)C 1P029191 [0,1,0,1,0,0|0,0,2]=4 1454 B9R1.169 OC(=O)C1(Cl)CC1(C)C 1P028WQS [0,1,0,1,0,0|0,0,2]=4 1455 B9R1.169 OC(=O)C1(N)CC1(C)C 1P028LAI [0,1,0,1,0,0|0,0,2]=4 1456 B9R1.169 OC(=O)C1(O)CC1(C)C 1P028OO3 [0,1,0,1,0,0|0,0,2]=4 1457 B9R1.51 CC(C1=CC(=O)C1)(C)C 1P027UFW [0,1,0,1,0,0|1,0,0]=3 1458 B9R2.150 OC(=O)C1CC2C1C2 1P01XBSJ [0,0,0,2,0,0|0,0,2]=4 1459 B9R2.145 OC(=O)C12CC(C1)C2 1P00CC92 [0,0,0,2,0,0|0,0,2]=4 1460 B9R2.139 O=C1C=CC2(C1)CC2 1P000C66 [0,0,0,2,0,0|1,0,0]=3 1461 B9R2.139 O=C1NCC2(O1)CC2 1P01XAF9 [0,0,0,2,0,0|1,0,1]=4 1462 B9R2.143 OC(=O)C1CC12CC2 1P00ABGH [0,0,0,2,0,0|0,0,2]=4 1463 B5R0.5 BrC(=O)C(Br)C 1P003H9L [0,0,0,0,2,0|2,0,0]=4 1464 B5R0.5 CC(=C)C(=O)O 1P0036XE [0,0,0,0,2,0|0,0,2]=4 1465 B5R0.5 CC(=C)C(C)C 1P003G0F [0,0,0,0,2,0|2,0,0]=4 1466 B5R0.5 CC(=O)C(Br)C 1P003JKY [0,0,0,0,2,0|2,0,0]=4 1467 B5R0.5 CC(=O)C(C)C 1P0037OJ [0,0,0,0,2,0|1,0,0]=3 1468 B5R0.5 CC(=O)C(Cl)C 1P003ECT [0,0,0,0,2,0|2,0,0]=4 1469 B5R0.5 CC(=O)C(O)C 1P00DMTO [0,0,0,0,2,0|2,0,0]=4 1470 B5R0.5 CC(=O)C(S)C 1P00BXSU [0,0,0,0,2,0|2,0,0]=4 1471 B5R0.5 CC(=O)N(C)C 1P000WZ3 [0,0,0,0,2,0|2,0,0]=4 1472 B5R0.5 CC(=O)[C@@H](N)C 1P00IA8G [0,0,0,0,2,0|2,0,0]=4 1473 B5R0.5 CC(=O)[NH+](C)C 1P003OS1 [0,0,0,0,2,0|2,0,0]=4 1474 B5R0.5 CC(C(=N)N)C 1P00BDNQ [0,0,0,0,2,0|2,0,0]=4 1475 B5R0.5 CC(C(=O)Br)C 1P003RK5 [0,0,0,0,2,0|1,0,0]=3 1476 B5R0.5 CC(C(=O)Cl)Br 1P003BND [0,0,0,0,2,0|2,0,0]=4 1477 B5R0.5 CC(C(=O)Cl)C 1P003RK6 [0,0,0,0,2,0|1,0,0]=3 1478 B5R0.5 CC(C(=O)N)Br 1P003H9I [0,0,0,0,2,0|2,0,0]=4 1479 B5R0.5 CC(C(=O)N)C 1P003RJZ [0,0,0,0,2,0|1,0,0]=3 1480 B5R0.5 CC(C(=O)N)Cl 1P002V9S [0,0,0,0,2,0|2,0,0]=4 1481 B5R0.5 CC(C(=O)N)I 1P002G87 [0,0,0,0,2,0|2,0,0]=4 1482 B5R0.5 CC(C(=O)N)O 1P0029VL [0,0,0,0,2,0|2,0,0]=4 1483 B5R0.5 CC(C(=O)O)Br 1P003H9J [0,0,0,0,2,0|1,0,0]=3 1484 B5R0.5 CC(C(=O)O)C 1P003729 [0,0,0,0,2,0|0,0,0]=2 1485 B5R0.5 CC(C(=O)O)C 1P01D9JB [0,0,0,0,2,0|0,0,0]=2 1486 B5R0.5 CC(C(=O)O)F 1P0032QG [0,0,0,0,2,0|1,0,0]=3 1487 B5R0.5 CC(C(=O)O)N 1P01ELSY [0,0,0,0,2,0|1,0,0]=3 1488 B5R0.5 CC(C(=O)S)C 1P00E3N5 [0,0,0,0,2,0|0,1,0]=3 1489 B5R0.5 CC(C(=O)[O-])C 1P002R83 [0,0,0,0,2,0|0,0,1]=3 1490 B5R0.5 CC(C(=O)[O-])C 1P003RK3 [0,0,0,0,2,0|0,0,1]=3 1491 B5R0.5 CC(C(=O)[O-])O 1P001SCZ [0,0,0,0,2,0|1,0,1]=4 1492 B5R0.5 CC(C(=O)[O-])O 1P002IGC [0,0,0,0,2,0|1,0,1]=4 1493 B5R0.5 CC(C(=O)[O-])O 1P002IGD [0,0,0,0,2,0|1,0,1]=4 1494 B5R0.5 CC(C(=O)[O-])O 1P003P4S [0,0,0,0,2,0|1,0,1]=4 1495 B5R0.5 CC(C(=O)[O-])O 1P00IAYP [0,0,0,0,2,0|1,0,1]=4 1496 B5R0.5 CC(C(=O)[O-])O 1P01KKX9 [0,0,0,0,2,0|1,0,1]=4 1497 B5R0.5 CC(C(=S)N)C 1P0033V4 [0,0,0,0,2,0|1,1,0]=4 1498 B5R0.5 CC(C(C)C)O 1P00E9KB [0,0,0,0,2,0|1,0,1]=4 1499 B5R0.5 CC(N(=O)=O)C 1P003I9T [0,0,0,0,2,0|1,0,1]=4 1500 B5R0.5 CC(S(=O)Cl)C 1P00CMZT [0,0,0,0,2,0|2,0,0]=4 1501 B5R0.5 CC(S(=O)N)C 1P01BFW0 [0,0,0,0,2,0|2,0,0]=4 1502 B5R0.5 CC(S(=O)[O-])C 1P00C6Z1 [0,0,0,0,2,0|1,0,1]=4 1503 B5R0.5 CN(C(=O)Cl)C 1P003Q3S [0,0,0,0,2,0|2,0,0]=4 1504 B5R0.5 CN(C(=O)N)C 1P0032OO [0,0,0,0,2,0|2,0,0]=4 1505 B5R0.5 CN(C(=O)O)C 1P003Q0Z [0,0,0,0,2,0|1,0,0]=3 1506 B5R0.5 CP(=O)C(C)C 1P02886T [0,0,0,0,2,0|2,0,0]=4 1507 B5R0.5 C[C@@H](C(=O)N)O 1P003CUT [0,0,0,0,2,0|2,0,0]=4 1508 B5R0.5 C[C@@H](C(=O)O)Br 1P003CU9 [0,0,0,0,2,0|1,0,0]=3 1509 B5R0.5 C[C@@H](C(=O)O)Cl 1P002ZDF [0,0,0,0,2,0|1,0,0]=3 1510 B5R0.5 C[C@@H](C(=O)O)F 1P00F1Z5 [0,0,0,0,2,0|1,0,0]=3 1511 B5R0.5 C[C@@H](C(=O)O)N 1P003RNW [0,0,0,0,2,0|1,0,0]=3 1512 B5R0.5 C[C@@H](C(=O)O)N 1P00E9HQ [0,0,0,0,2,0|1,0,0]=3 1513 B5R0.5 C[C@@H](C(C)C)O 1P003CXX [0,0,0,0,2,0|1,0,1]=4 1514 B5R0.5 C[C@H](C(=O)N)O 1P003CML [0,0,0,0,2,0|2,0,0]=4 1515 B5R0.5 C[C@H](C(=O)O)Br 1P0001CR [0,0,0,0,2,0|1,0,0]=3 1516 B5R0.5 C[C@H](C(=O)O)Cl 1P003BFE [0,0,0,0,2,0|1,0,0]=3 1517 B5R0.5 C[C@H](C(=O)O)N 1P003559 [0,0,0,0,2,0|1,0,0]=3 1518 B5R0.5 C[C@H](C(=O)O)S 1P007HM9 [0,0,0,0,2,0|1,0,0]=3 1519 B5R0.5 C[C@H](C(C)C)O 1P001PQR [0,0,0,0,2,0|1,0,1]=4 1520 B5R0.5 ClC(=O)C(Cl)C 1P003BO8 [0,0,0,0,2,0|2,0,0]=4 1521 B5R0.5 ClC(=O)[C@@H](Cl)C 1P01BY6S [0,0,0,0,2,0|2,0,0]=4 1522 B5R0.5 ClC(=O)[C@H](Cl)C 1P006CQL [0,0,0,0,2,0|2,0,0]=4 1523 B5R0.5 FC(C(=O)O)F 1P003PZ6 [0,0,0,0,2,0|2,0,0]=4 1524 B5R0.5 NC(=O)C(N)C 1P003H0J [0,0,0,0,2,0|2,0,0]=4 1525 B5R0.5 NC(=O)C(N)C 1P003H0K [0,0,0,0,2,0|2,0,0]=4 1526 B5R0.5 NC(=O)[C@@H](N)C 1P0006VF [0,0,0,0,2,0|2,0,0]=4 1527 B5R0.5 NC(=O)[C@@H](N)C 1P0036JB [0,0,0,0,2,0|2,0,0]=4 1528 B5R0.5 NC(=O)[C@@H](N)C 1P00ICUD [0,0,0,0,2,0|2,0,0]=4 1529 B5R0.5 NC(=O)[C@H](N)C 1P00382K [0,0,0,0,2,0|2,0,0]=4 1530 B5R0.5 NC(=O)[C@H](N)C 1P003C4R [0,0,0,0,2,0|2,0,0]=4 1531 B5R0.5 OB(C(C)C)O 1P0036Y4 [0,0,0,0,2,0|1,0,1]=4 1532 B5R0.5 OC(=O)C(=O)C 1P000WZ4 [0,0,0,0,2,0|1,0,1]=4 1533 B5R0.5 OC(=O)C(=O)C 1P00I8KL [0,0,0,0,2,0|1,0,1]=4 1534 B5R0.5 OC(=O)C(Br)Cl 1P003P0Z [0,0,0,0,2,0|2,0,0]=4 1535 B5R0.5 OC(=O)C(Br)F 1P00BY5B [0,0,0,0,2,0|2,0,0]=4 1536 B5R0.5 OC(=O)C(Cl)F 1P00DD1L [0,0,0,0,2,0|2,0,0]=4 1537 B5R0.5 OC(=O)C(O)C 1P00388A [0,0,0,0,2,0|1,0,0]=3 1538 B5R0.5 OC(=O)C(O)C 1P003P5C [0,0,0,0,2,0|1,0,0]=3 1539 B5R0.5 OC(=O)C(O)N 1P0070X0 [0,0,0,0,2,0|2,0,0]=4 1540 B5R0.5 OC(=O)C(O)O 1P0037OI [0,0,0,0,2,0|2,0,0]=4 1541 B5R0.5 OC(=O)[C@@H](O)C 1P003AT9 [0,0,0,0,2,0|1,0,0]=3 1542 B5R0.5 OC(=O)[C@H](O)C 1P003PO7 [0,0,0,0,2,0|1,0,0]=3 1543 B5R0.5 [O-]C(=O)C(O)C 1P005SQF [0,0,0,0,2,0|1,0,1]=4 1544 B5R0.5 [O-]C(=O)C(O)C 1P0069SJ [0,0,0,0,2,0|1,0,1]=4 1545 B5R0.5 [O-]C(=O)C(O)C 1P008FOG [0,0,0,0,2,0|1,0,1]=4 1546 B5R0.5 [O-]C(=O)[C@@H](O)C 1P002VDW [0,0,0,0,2,0|1,0,1]=4 1547 B5R0.5 [O-]C(=O)[C@@H](O)C 1P004KNK [0,0,0,0,2,0|1,0,1]=4 1548 B5R0.5 [O-]C(=O)[C@@H](O)C 1P00IM0T [0,0,0,0,2,0|1,0,1]=4 1549 B5R0.5 [O-]C(=O)[C@H](F)C 1P02809N [0,0,0,0,2,0|1,0,1]=4 1550 B5R0.5 [O-]C(=O)[C@H](O)C 1P002VDV [0,0,0,0,2,0|1,0,1]=4 1551 B5R0.5 [O-]C(=O)[C@H](O)C 1P003USZ [0,0,0,0,2,0|1,0,1]=4 1552 B9R0.55 CC(CCCCC(=O)O)C 1P00GS4R [0,0,0,0,0,2|0,0,2]=4 1553 B9R0.55 CC(CCOCC(=O)O)C 1P006C8E [0,0,0,0,0,2|0,0,2]=4 1554 B9R0.55 CC(CCSCC(=O)O)C 1P019XPV [0,0,0,0,0,2|0,0,2]=4 1555 B9R0.55 CC(CC\C=C\C(=O)O)C 1P028B0G [0,0,0,0,0,2|0,0,0]=2 1556 B9R0.55 CC(CNCCC(=O)O)C 1P019VWL [0,0,0,0,0,2|0,0,2]=4 1557 B9R0.55 CC(COCCC(=O)O)C 1P019NR0 [0,0,0,0,0,2|0,0,2]=4 1558 B9R0.55 CC(CSCCC(=O)O)C 1P00BV6K [0,0,0,0,0,2|0,0,2]=4 1559 B9R0.55 CC(NCCCC(=O)O)C 1P019L2M [0,0,0,0,0,2|0,0,2]=4 1560 B9R0.55 CC(\C=C\CCC(=O)O)C 1P028OBZ [0,0,0,0,0,2|0,0,0]=2 1561 B9R0.55 OC(=O)CCCOC(C)C 1P01A6TS [0,0,0,0,0,2|0,0,2]=4