0 B8R0.9 CC(=CCC(=O)O)C=C 1P01AFO0 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.9 CC(=O)OCC(CO)N 1P01BDUG [0,0,0,0,0,0|3,0,1]=4 2 B8R0.9 CC(C#N)CCC(=O)O 1P028YKK [0,0,0,0,0,0|2,0,1]=3 3 B8R0.9 CC(CC)CCC(=O)O 1P001OZD [0,0,0,0,0,0|1,0,2]=3 4 B8R0.9 CC(CN)CCC(=O)O 1P01A3KI [0,0,0,0,0,0|2,0,1]=3 5 B8R0.9 CC(NCC(=O)O)CC 1P019UYV [0,0,0,0,0,0|2,0,2]=4 6 B8R0.9 CC(OC)CCC(=O)O 1P01A6MQ [0,0,0,0,0,0|2,0,1]=3 7 B8R0.9 CC(OCC(=O)O)CC 1P01A2G6 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.9 CC(SC)CCC(=O)O 1P01A4ZX [0,0,0,0,0,0|2,0,1]=3 9 B8R0.9 CCC(=O)CCC(=O)O 1P007SOU [0,0,0,0,0,0|1,0,3]=4 10 B8R0.9 CCC(CCC(=O)C)C 1P0023WR [0,0,0,0,0,0|2,0,2]=4 11 B8R0.9 CCC(CCC(=O)Cl)Cl 1P00IKRX [0,0,0,0,0,0|2,0,2]=4 12 B8R0.9 CCC(CCC(=O)O)N 1P00JEB8 [0,0,0,0,0,0|0,0,2]=2 13 B8R0.9 CCS(=O)CCC(=O)O 1P0013NZ [0,0,0,0,0,0|2,0,2]=4 14 B8R0.9 CN(CC)CCC(=O)O 1P00J2A1 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.9 CNC(=O)CCC(=O)O 1P00DCJ1 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.9 COC(=O)CCC(=O)O 1P003801 [0,0,0,0,0,0|2,0,2]=4 17 B8R0.9 NC(=O)CNC(=O)C=C 1P002PWB [0,0,0,0,0,0|3,0,1]=4 18 B8R0.9 NC(C=C)CCC(=O)O 1P001AQX [0,0,0,0,0,0|0,0,0]=0 19 B8R0.9 NC(C=C)CCC(=O)O 1P00FBZQ [0,0,0,0,0,0|0,0,0]=0 20 B8R0.9 NC(CF)CCC(=O)O 1P01BE8X [0,0,0,0,0,0|1,0,1]=2 21 B8R0.9 NCC(=O)CCC(=O)O 1P0036A6 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.9 NCC(=O)CCC(=O)O 1P004JJP [0,0,0,0,0,0|2,0,2]=4 23 B8R0.9 NCC(=O)CCC(=O)O 1P00HB7B [0,0,0,0,0,0|2,0,2]=4 24 B8R0.9 NCC(CCC(=O)O)N 1P01AI1W [0,0,0,0,0,0|1,0,1]=2 25 B8R0.9 NC[C@@H](CCC(=O)O)N 1P02403U [0,0,0,0,0,0|1,0,1]=2 26 B8R0.9 NC[C@H](CCC(=O)O)N 1P021JBW [0,0,0,0,0,0|1,0,1]=2 27 B8R0.9 NNC(=O)CCC(=O)O 1P002FL8 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.9 N[C@H](C=C)CCC(=O)O 1P00FE8S [0,0,0,0,0,0|0,0,0]=0 29 B8R0.9 N[C@H](CF)CCC(=O)O 1P01BDS0 [0,0,0,0,0,0|1,0,1]=2 30 B8R0.9 OC(=O)CCC(=O)CBr 1P001E0A [0,0,0,0,0,0|2,0,2]=4 31 B8R0.9 OC(=O)CNC(=O)C=C 1P002P5E [0,0,0,0,0,0|2,0,1]=3 32 B8R0.9 OCP(=O)CCC(=O)O 1P001NED [0,0,0,0,0,0|3,0,1]=4 33 B8R0.9 OC[C@H](CCC(=O)O)N 1P01C6Z9 [0,0,0,0,0,0|1,0,1]=2 34 B8R0.9 ONC(=O)CCC(=O)O 1P00DYWH [0,0,0,0,0,0|3,0,1]=4 35 B8R0.9 [O-]C(=O)CCC(CC)O 1P01XCZ8 [0,0,0,0,0,0|1,0,3]=4 36 B8R0.9 [O-]C(=O)CCC(CN)O 1P01FIBT [0,0,0,0,0,0|2,0,2]=4 37 B8R0.9 [O-]C(=O)CCC(CO)C 1P0290FV [0,0,0,0,0,0|2,0,2]=4 38 B7R0.3 C=CCCC(C=C)O 1P028I4D [1,0,0,0,0,0|2,0,0]=3 39 B7R0.3 C=CCCC(C=O)C 1P01DW2X [1,0,0,0,0,0|3,0,0]=4 40 B7R0.3 CC(OC)CCC=O 1P01C9S2 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.3 CCCCC(C=C)O 1P003EU8 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.3 NC(CN)CCC=C 1P019ZFO [1,0,0,0,0,0|2,0,1]=4 43 B7R0.3 NC(CO)CCC=C 1P003YA9 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.3 NCC(CCC=C)N 1P019ZFQ [1,0,0,0,0,0|2,0,1]=4 45 B7R0.3 OCCCC(CC)N 1P01EMRN [1,0,0,0,0,0|0,0,3]=4 46 B7R0.3 OCCCC(CO)N 1P00BLI5 [1,0,0,0,0,0|1,0,2]=4 47 B7R0.3 OCCC[C@@H](CO)N 1P028S2F [1,0,0,0,0,0|1,0,2]=4 48 B7R0.3 OCCC[C@H](CO)N 1P028Y8G [1,0,0,0,0,0|1,0,2]=4 49 B7R0.4 BrCCCCC(=O)C 1P0007J6 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.4 BrCCCCC(=O)Cl 1P003N20 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.4 BrCCCCC(=O)O 1P002J3W [1,0,0,0,0,0|1,0,1]=3 52 B7R0.4 BrCCCCC(=O)[O-] 1P00ERAQ [1,0,0,0,0,0|1,0,2]=4 53 B7R0.4 BrCCOCC(=O)O 1P00HD6T [1,0,0,0,0,0|2,0,1]=4 54 B7R0.4 C#CCCCC(=O)C 1P01BVPS [1,0,0,0,0,0|1,0,2]=4 55 B7R0.4 C#CCCCC(=O)Cl 1P01BF0D [1,0,0,0,0,0|1,0,2]=4 56 B7R0.4 C#CCCCC(=O)O 1P0034QU [1,0,0,0,0,0|0,0,2]=3 57 B7R0.4 C#CCNCC(=O)O 1P01B5L0 [1,0,0,0,0,0|1,0,2]=4 58 B7R0.4 C#CCOCC(=O)O 1P01FGBM [1,0,0,0,0,0|1,0,2]=4 59 B7R0.4 C#CCSCC(=O)O 1P019QIE [1,0,0,0,0,0|1,0,2]=4 60 B7R0.4 C=CCCCB(O)O 1P003MF1 [1,0,0,0,0,0|1,0,1]=3 61 B7R0.4 C=CCCCC(=O)O 1P001Q42 [1,0,0,0,0,0|0,0,0]=1 62 B7R0.4 C=CCCCC(N)C 1P01A557 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.4 C=CCCCC(O)C 1P00BJLZ [1,0,0,0,0,0|1,0,1]=3 64 B7R0.4 C=CCCC[N+](=O)[O-] 1P002O3S [1,0,0,0,0,0|1,0,1]=3 65 B7R0.4 C=CCNCC(=C)Br 1P008EZZ [1,0,0,0,0,0|3,0,0]=4 66 B7R0.4 C=CCNCC(=O)O 1P00C070 [1,0,0,0,0,0|1,0,0]=2 67 B7R0.4 C=CCOCC(=O)O 1P00OS4H [1,0,0,0,0,0|1,0,0]=2 68 B7R0.4 C=CCOCC(O)C 1P00CBSR [1,0,0,0,0,0|2,0,1]=4 69 B7R0.4 C=CCSCC(=O)O 1P002AX8 [1,0,0,0,0,0|1,0,0]=2 70 B7R0.4 CC#CCCC(=O)O 1P00CIJW [1,0,0,0,0,0|0,0,3]=4 71 B7R0.4 CC(=O)OCCC=C 1P001Q0I [1,0,0,0,0,0|2,0,0]=3 72 B7R0.4 CCCCCC(=O)C 1P0033SO [1,0,0,0,0,0|1,0,2]=4 73 B7R0.4 CCCCCC(=O)Cl 1P003RDM [1,0,0,0,0,0|1,0,2]=4 74 B7R0.4 CCCCCC(=O)N 1P003RDF [1,0,0,0,0,0|1,0,2]=4 75 B7R0.4 CCCCCC(=O)O 1P0035GM [1,0,0,0,0,0|0,0,2]=3 76 B7R0.4 CCCCCC(=O)[O-] 1P0002NZ [1,0,0,0,0,0|0,0,3]=4 77 B7R0.4 CCCNCC(=O)O 1P019WR9 [1,0,0,0,0,0|1,0,2]=4 78 B7R0.4 CCCOCC(=O)O 1P00DDPU [1,0,0,0,0,0|1,0,2]=4 79 B7R0.4 CCCSCC(=O)O 1P002AXA [1,0,0,0,0,0|1,0,2]=4 80 B7R0.4 CCNCCC(=O)O 1P019WSK [1,0,0,0,0,0|1,0,2]=4 81 B7R0.4 CCOCCC(=O)O 1P003JUP [1,0,0,0,0,0|1,0,2]=4 82 B7R0.4 CCSCCC(=O)O 1P00FDIY [1,0,0,0,0,0|1,0,2]=4 83 B7R0.4 CNCCCC(=O)O 1P0034AB [1,0,0,0,0,0|1,0,1]=3 84 B7R0.4 CNCCCC(=O)O 1P007DUH [1,0,0,0,0,0|1,0,1]=3 85 B7R0.4 COCCCC(=O)C 1P00B6HE [1,0,0,0,0,0|2,0,1]=4 86 B7R0.4 COCCCC(=O)N 1P027LNZ [1,0,0,0,0,0|2,0,1]=4 87 B7R0.4 COCCCC(=O)O 1P002VN5 [1,0,0,0,0,0|1,0,1]=3 88 B7R0.4 CSCCCC(=O)Cl 1P0286K0 [1,0,0,0,0,0|2,0,1]=4 89 B7R0.4 CSCCCC(=O)N 1P028VPN [1,0,0,0,0,0|2,0,1]=4 90 B7R0.4 CSCCCC(=O)O 1P00MDZI [1,0,0,0,0,0|1,0,1]=3 91 B7R0.4 CSSCCC(=O)O 1P0018IF [1,0,0,0,0,0|2,0,1]=4 92 B7R0.4 ClC(=O)OCCC=C 1P0089H9 [1,0,0,0,0,0|2,0,0]=3 93 B7R0.4 ClCCCCC(=O)C 1P0007J5 [1,0,0,0,0,0|2,0,1]=4 94 B7R0.4 ClCCCCC(=O)Cl 1P001PXW [1,0,0,0,0,0|2,0,1]=4 95 B7R0.4 ClCCCCC(=O)N 1P019Y9G [1,0,0,0,0,0|2,0,1]=4 96 B7R0.4 ClCCCCC(=O)O 1P0034Q2 [1,0,0,0,0,0|1,0,1]=3 97 B7R0.4 ClCCOCC(=O)O 1P001LKW [1,0,0,0,0,0|2,0,1]=4 98 B7R0.4 ClCCSCC(=O)O 1P01I29B [1,0,0,0,0,0|2,0,1]=4 99 B7R0.4 FCCCCC(=O)[O-] 1P02875F [1,0,0,0,0,0|1,0,2]=4 100 B7R0.4 FCCOCC(=O)O 1P028UIA [1,0,0,0,0,0|2,0,1]=4 101 B7R0.4 ICCCCC(=O)O 1P027L56 [1,0,0,0,0,0|1,0,1]=3 102 B7R0.4 N#CCCCC(=O)O 1P0076GP [1,0,0,0,0,0|1,0,1]=3 103 B7R0.4 N#CCSCC(=O)O 1P00DEFL [1,0,0,0,0,0|2,0,1]=4 104 B7R0.4 NCCCCC(=O)N 1P01A4SH [1,0,0,0,0,0|2,0,1]=4 105 B7R0.4 NCCCCC(=O)O 1P00390H [1,0,0,0,0,0|1,0,1]=3 106 B7R0.4 NCCCCC(=O)O 1P003MVH [1,0,0,0,0,0|1,0,1]=3 107 B7R0.4 NCCCCC(=O)O 1P00HZV1 [1,0,0,0,0,0|1,0,1]=3 108 B7R0.4 NCCCCC(=O)O 1P01FNTV [1,0,0,0,0,0|1,0,1]=3 109 B7R0.4 NCCNCC(=O)O 1P003SPC [1,0,0,0,0,0|2,0,1]=4 110 B7R0.4 NCCNCC(=O)O 1P01DWQH [1,0,0,0,0,0|2,0,1]=4 111 B7R0.4 NCCOCC(=O)O 1P01A76U [1,0,0,0,0,0|2,0,1]=4 112 B7R0.4 NCCSCC(=O)O 1P00VUW5 [1,0,0,0,0,0|2,0,1]=4 113 B7R0.4 NOCCCC(=O)O 1P0032I9 [1,0,0,0,0,0|2,0,0]=3 114 B7R0.4 O=CCCCC(=C)C 1P024PL7 [1,0,0,0,0,0|3,0,0]=4 115 B7R0.4 O=CCCCC(=O)O 1P00EKL9 [1,0,0,0,0,0|1,0,0]=2 116 B7R0.4 OC(=O)CC\C=C\Br 1P00491G [1,0,0,0,0,0|1,0,1]=3 117 B7R0.4 OC(=O)C\C=C\C=C 1P01BSMX [1,0,0,0,0,0|0,0,2]=3 118 B7R0.4 OCCCCC(=O)C 1P00BGAI [1,0,0,0,0,0|2,0,1]=4 119 B7R0.4 OCCCCC(=O)N 1P002ZKN [1,0,0,0,0,0|2,0,1]=4 120 B7R0.4 OCCCCC(=O)[O-] 1P003ALZ [1,0,0,0,0,0|1,0,2]=4 121 B7R0.4 OCCCCC(=O)[O-] 1P01AA46 [1,0,0,0,0,0|1,0,2]=4 122 B7R0.4 OCCNCC(=O)O 1P00EFJ5 [1,0,0,0,0,0|2,0,1]=4 123 B7R0.4 OCCOCC(=O)O 1P0080QG [1,0,0,0,0,0|2,0,1]=4 124 B7R0.4 SCCCCC(=O)O 1P002ZTK [1,0,0,0,0,0|1,0,1]=3 125 B7R0.4 [N-]=[N+]=NCCC(=O)O 1P007U2C [1,0,0,0,0,0|3,0,0]=4 126 B7R0.6 BrC(=C)CCC(=O)O 1P01V5WY [1,0,0,0,0,0|1,0,1]=3 127 B7R0.6 CC(=C)CCC(=O)C 1P003NCD [1,0,0,0,0,0|2,0,1]=4 128 B7R0.6 CC(=C)CCC(=O)O 1P0001EL [1,0,0,0,0,0|1,0,1]=3 129 B7R0.6 CC(=O)CCC(=O)O 1P000KEL [1,0,0,0,0,0|1,0,2]=4 130 B7R0.6 CC(C#CC(=O)O)N 1P0284K5 [1,0,0,0,0,0|0,0,3]=4 131 B7R0.6 CC(CCC(=C)C)N 1P01DVQ0 [1,0,0,0,0,0|2,0,1]=4 132 B7R0.6 CC(CCC(=O)C)C 1P003NBT [1,0,0,0,0,0|2,0,1]=4 133 B7R0.6 CC(CCC(=O)C)Cl 1P0007YL [1,0,0,0,0,0|2,0,1]=4 134 B7R0.6 CC(CCC(=O)Cl)C 1P003M9S [1,0,0,0,0,0|2,0,1]=4 135 B7R0.6 CC(CCC(=O)Cl)Cl 1P00IBOS [1,0,0,0,0,0|2,0,1]=4 136 B7R0.6 CC(CCC(=O)N)C 1P007DVM [1,0,0,0,0,0|2,0,1]=4 137 B7R0.6 CC(CCC(=O)O)Br 1P01A4B3 [1,0,0,0,0,0|1,0,1]=3 138 B7R0.6 CC(CCC(=O)O)C 1P003M9R [1,0,0,0,0,0|1,0,1]=3 139 B7R0.6 CC(CCC(=O)O)N 1P001A2N [1,0,0,0,0,0|0,0,1]=2 140 B7R0.6 CC(CCC(=O)O)N 1P01AKAQ [1,0,0,0,0,0|0,0,1]=2 141 B7R0.6 CC(CCC(=O)O)O 1P0038KW [1,0,0,0,0,0|1,0,1]=3 142 B7R0.6 CC(CCC(=O)O)S 1P000P7Q [1,0,0,0,0,0|1,0,1]=3 143 B7R0.6 CC(CCC(=O)[O-])O 1P003BDK [1,0,0,0,0,0|1,0,2]=4 144 B7R0.6 CC(CCS(=O)C)N 1P019S9Q [1,0,0,0,0,0|2,0,1]=4 145 B7R0.6 CC(NCC(=O)O)C 1P00C901 [1,0,0,0,0,0|2,0,1]=4 146 B7R0.6 CC(NCC(=O)O)C 1P019MFH [1,0,0,0,0,0|2,0,1]=4 147 B7R0.6 CC(OCC(=O)O)C 1P007FU5 [1,0,0,0,0,0|2,0,1]=4 148 B7R0.6 CC(SCC(=O)O)C 1P006WX6 [1,0,0,0,0,0|2,0,1]=4 149 B7R0.6 CN(CCC(=O)O)C 1P001FQ6 [1,0,0,0,0,0|2,0,1]=4 150 B7R0.6 CN(CCC(=O)O)C 1P00E97T [1,0,0,0,0,0|2,0,1]=4 151 B7R0.6 CS(=O)CCC(=O)O 1P001DGF [1,0,0,0,0,0|2,0,1]=4 152 B7R0.6 C[C@@H](CCC(=O)O)N 1P028SQ6 [1,0,0,0,0,0|0,0,1]=2 153 B7R0.6 C[C@H](CCC(=O)O)N 1P01P6YP [1,0,0,0,0,0|0,0,1]=2 154 B7R0.6 C[C@H](CCC(=O)O)S 1P028IQP [1,0,0,0,0,0|1,0,1]=3 155 B7R0.6 C[S+](CCC(=O)O)C 1P002KXE [1,0,0,0,0,0|2,0,1]=4 156 B7R0.6 C[S+](CCC(=O)O)C 1P003C35 [1,0,0,0,0,0|2,0,1]=4 157 B7R0.6 ClC(=C)CCC(=O)O 1P01DWZ5 [1,0,0,0,0,0|1,0,1]=3 158 B7R0.6 ClC(CCC(=O)C)Cl 1P0292ZI [1,0,0,0,0,0|3,0,0]=4 159 B7R0.6 ClC(CCC(=O)O)Cl 1P01BSXU [1,0,0,0,0,0|2,0,0]=3 160 B7R0.6 FC(CCC(=O)C)F 1P01C0W2 [1,0,0,0,0,0|3,0,0]=4 161 B7R0.6 FC(CCC(=O)O)F 1P006BJ8 [1,0,0,0,0,0|2,0,0]=3 162 B7R0.6 FC(OCC(=O)O)F 1P01BECR [1,0,0,0,0,0|3,0,0]=4 163 B7R0.6 FC(SCC(=O)O)F 1P01DXRY [1,0,0,0,0,0|3,0,0]=4 164 B7R0.6 NC(=N)NCC(=O)O 1P003RAC [1,0,0,0,0,0|2,0,1]=4 165 B7R0.6 NC(=O)CCC(=O)N 1P003UWW [1,0,0,0,0,0|2,0,1]=4 166 B7R0.6 NC(=O)CCC(=O)O 1P003UWV [1,0,0,0,0,0|1,0,1]=3 167 B7R0.6 NC(=O)NCC(=O)O 1P00D8YO [1,0,0,0,0,0|2,0,1]=4 168 B7R0.6 OB(CCC(=O)O)O 1P01B8PX [1,0,0,0,0,0|3,0,0]=4 169 B7R0.6 OC(=O)CCC(=O)O 1P003UWX [1,0,0,0,0,0|2,0,1]=4 170 B7R0.6 OC(=O)CCC(=O)O 1P00BCU9 [1,0,0,0,0,0|2,0,1]=4 171 B7R0.6 OC(=O)CCC(=O)O 1P00I4UF [1,0,0,0,0,0|2,0,1]=4 172 B7R0.6 OC(=O)CCC(=O)O 1P00I5VN [1,0,0,0,0,0|2,0,1]=4 173 B7R0.6 OC(=O)CSC(=N)N 1P005IKU [1,0,0,0,0,0|2,0,1]=4 174 B7R0.6 OC(=O)CSC(=N)N 1P019G9E [1,0,0,0,0,0|2,0,1]=4 175 B7R0.6 [O-]C(=O)CCC(=O)O 1P001OMB [1,0,0,0,0,0|2,0,1]=4 176 B7R0.6 [O-][N+](=O)CCC(=O)O 1P003KAI [1,0,0,0,0,0|3,0,0]=4 177 B9R0.7 CC(=C)CC[C@H](C(=O)O)N 1P01K2MW [0,1,0,0,0,0|3,0,0]=4 178 B9R0.7 CC(=O)CCC(C(=O)O)N 1P01A0WV [0,1,0,0,0,0|2,0,0]=3 179 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N 1P003TW5 [0,1,0,0,0,0|3,0,0]=4 180 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N 1P00DDM1 [0,1,0,0,0,0|3,0,0]=4 181 B9R0.7 CC(=O)OC[C@H](C(=O)O)N 1P00C4VL [0,1,0,0,0,0|3,0,0]=4 182 B9R0.7 CC(=O)SC[C@@H](C(=O)O)N 1P00FCOW [0,1,0,0,0,0|3,0,0]=4 183 B9R0.7 CC(N(C)C)CCC(=O)O 1P01BS2N [0,1,0,0,0,0|2,0,1]=4 184 B9R0.7 CS(=O)CCC(C(=O)N)N 1P028PN9 [0,1,0,0,0,0|3,0,0]=4 185 B9R0.7 CS(=O)CCC(C(=O)O)N 1P003QB0 [0,1,0,0,0,0|3,0,0]=4 186 B9R0.7 CS(=O)CC[C@@H](C(=O)O)N 1P00I6KX [0,1,0,0,0,0|3,0,0]=4 187 B9R0.7 CS(=O)CC[C@H](C(=O)O)N 1P002LC9 [0,1,0,0,0,0|3,0,0]=4 188 B9R0.7 NC(=O)CCC(C(=O)O)N 1P00FDCC [0,1,0,0,0,0|2,0,0]=3 189 B9R0.7 NC(=O)CCC(C(=O)O)N 1P01DL0Z [0,1,0,0,0,0|2,0,0]=3 190 B9R0.7 NC(=O)CC[C@@H](C(=O)N)N 1P002DSS [0,1,0,0,0,0|2,0,0]=3 191 B9R0.7 NC(=O)CC[C@@H](C(=O)N)N 1P00BF88 [0,1,0,0,0,0|2,0,0]=3 192 B9R0.7 NC(=O)CC[C@@H](C(=O)O)N 1P0035JK [0,1,0,0,0,0|2,0,0]=3 193 B9R0.7 NC(=O)CC[C@H](C(=O)O)N 1P00IB1D [0,1,0,0,0,0|2,0,0]=3 194 B9R0.7 NC(=O)NC[C@@H](C(=O)O)N 1P001G1Y [0,1,0,0,0,0|3,0,0]=4 195 B9R0.7 NC(C(C)C)CCC(=O)O 1P028H49 [0,1,0,0,0,0|0,0,2]=3 196 B9R0.7 NC(C(F)F)CCC(=O)O 1P0281OY [0,1,0,0,0,0|1,0,1]=3 197 B9R0.7 N[C@@H](C(F)F)CCC(=O)O 1P0289P6 [0,1,0,0,0,0|1,0,1]=3 198 B9R0.7 OC(=O)CCC(=C(F)F)F 1P008V4Q [0,1,0,0,0,0|2,0,1]=4 199 B9R0.7 OC(=O)CCC(=O)C(=O)O 1P003HYM [0,1,0,0,0,0|2,0,1]=4 200 B9R0.7 OC(=O)CCC(=O)C(=O)O 1P00I9R1 [0,1,0,0,0,0|2,0,1]=4 201 B9R0.7 OC(=O)CCC(=O)C(=O)O 1P00IKSF [0,1,0,0,0,0|2,0,1]=4 202 B9R0.7 OC(=O)CCC(=O)C(=O)[O-] 1P003O8X [0,1,0,0,0,0|2,0,1]=4 203 B9R0.7 OC(=O)CCC(C(=O)C)C 1P024QKZ [0,1,0,0,0,0|1,0,1]=3 204 B9R0.7 OC(=O)CCC(C(=O)O)N 1P00EW2H [0,1,0,0,0,0|1,0,0]=2 205 B9R0.7 OC(=O)CCC(C(=O)O)[15NH2] 1P00C266 [0,1,0,0,0,0|1,0,0]=2 206 B9R0.7 OC(=O)CCN(C(=O)C)C 1P00EBR0 [0,1,0,0,0,0|2,0,1]=4 207 B9R0.7 OC(=O)CC[C@@H](C(=O)N)N 1P00E9XH [0,1,0,0,0,0|1,0,0]=2 208 B9R0.7 OC(=O)CC[C@@H](C(=O)O)N 1P002GVG [0,1,0,0,0,0|1,0,0]=2 209 B9R0.7 OC(=O)CC[C@@H](C(=O)O)N 1P0037PA [0,1,0,0,0,0|1,0,0]=2 210 B9R0.7 OC(=O)CC[C@@H](C(=O)O)N 1P003AI8 [0,1,0,0,0,0|1,0,0]=2 211 B9R0.7 OC(=O)CC[C@@H](C(=O)O)O 1P000VMI [0,1,0,0,0,0|2,0,0]=3 212 B9R0.7 OC(=O)CC[C@@H](C(=O)[O-])N 1P003RNH [0,1,0,0,0,0|1,0,0]=2 213 B9R0.7 OC(=O)CC[C@@H](C(=O)[O-])N 1P003RQN [0,1,0,0,0,0|1,0,0]=2 214 B9R0.7 OC(=O)CC[C@H](C(=O)N)N 1P0074V8 [0,1,0,0,0,0|1,0,0]=2 215 B9R0.7 OC(=O)CC[C@H](C(=O)O)C 1P003CM1 [0,1,0,0,0,0|2,0,0]=3 216 B9R0.7 OC(=O)CC[C@H](C(=O)O)N 1P003PQY [0,1,0,0,0,0|1,0,0]=2 217 B9R0.7 OC(=O)CC[C@H](C(=O)O)O 1P009WQ7 [0,1,0,0,0,0|2,0,0]=3 218 B9R0.7 OC(=O)CNC(=O)C(=C)C 1P002O6W [0,1,0,0,0,0|2,0,1]=4 219 B9R0.7 OC(=O)CNC(C(=O)O)C 1P00C9CS [0,1,0,0,0,0|3,0,0]=4 220 B9R0.7 OC(=O)CN[C@H](C(=O)O)C 1P00EL0F [0,1,0,0,0,0|3,0,0]=4 221 B9R0.7 OP(=O)CC[C@@H](C(=O)O)N 1P0289LP [0,1,0,0,0,0|2,0,0]=3 222 B9R0.7 [15NH2]C(=O)CC[C@@H](C(=O)O)[15NH2] 1P00C268 [0,1,0,0,0,0|2,0,0]=3 223 B9R0.7 [O-]C(=O)CCC(C(=O)[O-])O 1P00CACC [0,1,0,0,0,0|2,0,1]=4 224 B9R0.7 [O-]C(=O)CC[C@@H](C(=O)O)N 1P00HWQS [0,1,0,0,0,0|1,0,1]=3 225 B9R0.7 [O-]C(=O)CC[C@@H](C(=O)[O-])O 1P00EFE5 [0,1,0,0,0,0|2,0,1]=4 226 B9R0.7 [O-]C(=O)CC[C@H](C(=O)[O-])O 1P007Y40 [0,1,0,0,0,0|2,0,1]=4 227 B9R0.23 CC(C(CC(=O)O)O)CC 1P0291JV [0,1,0,0,0,0|1,0,2]=4 228 B9R0.23 CN(C(=O)C=C)CC(=O)O 1P01BG7D [0,1,0,0,0,0|2,0,1]=4 229 B9R0.23 C[C@H]([C@@H](CC(=O)O)N)OC 1P028TWN [0,1,0,0,0,0|2,0,1]=4 230 B9R0.24 BrCC(CCC(=O)OC)C 1P028365 [0,1,0,0,0,0|2,0,1]=4 231 B9R0.24 CCC(CCC(=O)OC)N 1P01FJTT [0,1,0,0,0,0|0,0,2]=3 232 B9R0.24 COC(CCC(=O)OC)C 1P01A6G9 [0,1,0,0,0,0|2,0,1]=4 233 B9R0.24 CSC(CCC(=O)OC)C 1P028QEO [0,1,0,0,0,0|2,0,1]=4 234 B9R0.42 CCC(CC(C(=O)O)N)C 1P019ZGJ [0,1,0,0,0,0|1,0,2]=4 235 B9R0.42 CCC(C[C@@H](C(=O)O)N)C 1P028FBT [0,1,0,0,0,0|1,0,2]=4 236 B9R0.42 CCC(C[C@@H](C(=O)O)N)C 1P028UKV [0,1,0,0,0,0|1,0,2]=4 237 B9R0.42 FC[C@H](C[C@@H](C(=O)O)N)C 1P0293LN [0,1,0,0,0,0|2,0,1]=4 238 B9R0.42 OC(C(=O)O)NC(=O)C=C 1P003770 [0,1,0,0,0,0|2,0,1]=4 239 B9R0.42 OCC(C[C@@H](C(=O)O)N)C 1P007FA8 [0,1,0,0,0,0|2,0,1]=4 240 B9R0.43 CCC(CCC(=O)O)CC 1P00F40H [0,1,0,0,0,0|1,0,2]=4 241 B9R0.43 CCC(CCC(=O)O)OC 1P028RAK [0,1,0,0,0,0|1,0,2]=4 242 B9R0.43 COC(CN)CCC(=O)O 1P027UGG [0,1,0,0,0,0|1,0,1]=3 243 B9R0.43 FCC(CCC(=O)O)CF 1P0293W0 [0,1,0,0,0,0|2,0,1]=4 244 B9R0.48 CC(OCC)CCC(=O)O 1P024SFD [0,1,0,0,0,0|1,0,2]=4 245 B9R0.64 BrCC(CCC(=O)O)(C)C 1P0281H6 [0,1,0,0,0,0|2,0,1]=4 246 B9R0.64 C#CC(CCC(=O)O)(C)C 1P027Y78 [0,1,0,0,0,0|1,0,2]=4 247 B9R0.64 C=CS(=O)(=O)CCC(=O)O 1P0282V4 [0,1,0,0,0,0|2,0,0]=3 248 B9R0.64 CC(CC)(CCC(=O)O)N 1P028VEV [0,1,0,0,0,0|0,0,2]=3 249 B9R0.64 COC(CCC(=O)O)(C)C 1P0288Q5 [0,1,0,0,0,0|2,0,1]=4 250 B9R0.64 N#CC(CCC(=O)O)(C)C 1P018JYQ [0,1,0,0,0,0|2,0,1]=4 251 B9R0.64 O=CC(CCC(=O)O)(C)C 1P006V47 [0,1,0,0,0,0|2,0,0]=3 252 B9R1.1 O=CC1CCC(=O)CC1 1P003AQ3 [0,0,0,1,0,0|3,0,0]=4 253 B9R1.10 NC1CCC(C=C1)(C)C 1P01EMDB [0,0,0,1,0,0|2,0,1]=4 254 B9R1.35 BrC1CCC(C1)C(=O)O 1P01DTVB [0,0,0,1,0,0|1,0,2]=4 255 B9R1.35 CC1CCC(C1)C(=O)O 1P00BFWE [0,0,0,1,0,0|1,0,2]=4 256 B9R1.35 CC1OCC(C1)C(=O)O 1P01AGK8 [0,0,0,1,0,0|2,0,1]=4 257 B9R1.35 CN1CC(N=C1)C(=O)O 1P01A367 [0,0,0,1,0,0|3,0,0]=4 258 B9R1.35 C[C@@H]1C[C@H](NC1)C(=O)O 1P00BICG [0,0,0,1,0,0|2,0,1]=4 259 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O 1P00FBCG [0,0,0,1,0,0|2,0,1]=4 260 B9R1.35 FC1CCC(C1)C(=O)O 1P00HYAH [0,0,0,1,0,0|1,0,2]=4 261 B9R1.35 NC1CC(=CC1)C(=O)O 1P01B7AU [0,0,0,1,0,0|0,0,2]=3 262 B9R1.35 NC1CC(C=C1)C(=O)O 1P019UK6 [0,0,0,1,0,0|0,0,0]=1 263 B9R1.35 NC1CCC(C1)C(=O)O 1P003AA8 [0,0,0,1,0,0|0,0,2]=3 264 B9R1.35 NC1CCC(C1)C(=O)O 1P003JE7 [0,0,0,1,0,0|0,0,2]=3 265 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O 1P002F03 [0,0,0,1,0,0|0,0,2]=3 266 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O 1P005Q45 [0,0,0,1,0,0|0,0,2]=3 267 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O 1P0039RV [0,0,0,1,0,0|0,0,2]=3 268 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O 1P00ADHG [0,0,0,1,0,0|1,0,1]=3 269 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O 1P024HKR [0,0,0,1,0,0|1,0,1]=3 270 B9R1.35 N[C@@H]1C[C@@H](C=C1)C(=O)O 1P000VLS [0,0,0,1,0,0|0,0,0]=1 271 B9R1.35 N[C@@H]1C[C@@H](C=C1)C(=O)O 1P009G43 [0,0,0,1,0,0|0,0,0]=1 272 B9R1.35 N[C@@H]1C[C@@H](NC1)C(=O)O 1P01XCO6 [0,0,0,1,0,0|1,0,1]=3 273 B9R1.35 N[C@@H]1C[C@H](NC1)C(=O)O 1P00AM3G [0,0,0,1,0,0|1,0,1]=3 274 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O 1P01FSS9 [0,0,0,1,0,0|0,0,2]=3 275 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O 1P001FNY [0,0,0,1,0,0|0,0,2]=3 276 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O 1P005Q44 [0,0,0,1,0,0|0,0,2]=3 277 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O 1P00DIB8 [0,0,0,1,0,0|0,0,2]=3 278 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O 1P00AMYG [0,0,0,1,0,0|1,0,1]=3 279 B9R1.35 N[C@H]1C[C@@H](NC1)C(=O)O 1P002TAD [0,0,0,1,0,0|1,0,1]=3 280 B9R1.35 N[C@H]1C[C@H](C=C1)C(=O)O 1P00089L [0,0,0,1,0,0|0,0,0]=1 281 B9R1.35 N[C@H]1C[C@H](C=C1)C(=O)O 1P000VLR [0,0,0,1,0,0|0,0,0]=1 282 B9R1.35 N[C@H]1C[C@H](NC1)C(=O)O 1P00AOGX [0,0,0,1,0,0|1,0,1]=3 283 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)Cl 1P028JLJ [0,0,0,1,0,0|2,0,1]=4 284 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)F 1P0001IE [0,0,0,1,0,0|2,0,1]=4 285 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)F 1P0032T5 [0,0,0,1,0,0|2,0,1]=4 286 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)S 1P00G8ZQ [0,0,0,1,0,0|2,0,1]=4 287 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)F 1P002QUC [0,0,0,1,0,0|2,0,1]=4 288 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)F 1P00392O [0,0,0,1,0,0|2,0,1]=4 289 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)S 1P00ILPJ [0,0,0,1,0,0|2,0,1]=4 290 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)S 1P01K8E7 [0,0,0,1,0,0|2,0,1]=4 291 B9R1.35 OC(=O)[C@H]1C[C@@H](CN1)F 1P000W42 [0,0,0,1,0,0|2,0,1]=4 292 B9R1.35 OC(=O)[C@H]1C[C@@H](CN1)F 1P00HDBV [0,0,0,1,0,0|2,0,1]=4 293 B9R1.35 OC(=O)[C@H]1C[C@H](CN1)F 1P00HYG2 [0,0,0,1,0,0|2,0,1]=4 294 B9R1.35 OC1CCC(C1)C(=O)O 1P00045D [0,0,0,1,0,0|1,0,2]=4 295 B9R1.35 OC1CN[C@@H](C1)C(=O)O 1P005LO0 [0,0,0,1,0,0|2,0,1]=4 296 B9R1.35 O[C@@H]1CC[C@@H](C1)C(=O)O 1P007VPN [0,0,0,1,0,0|1,0,2]=4 297 B9R1.35 O[C@@H]1CC[C@H](C1)C(=O)O 1P00DLKM [0,0,0,1,0,0|1,0,2]=4 298 B9R1.35 O[C@@H]1CN[C@@H](C1)C(=O)O 1P0037J1 [0,0,0,1,0,0|2,0,1]=4 299 B9R1.35 O[C@@H]1CN[C@@H](C1)C(=O)O 1P003CDR [0,0,0,1,0,0|2,0,1]=4 300 B9R1.35 O[C@@H]1CN[C@H](C1)C(=O)O 1P0032SZ [0,0,0,1,0,0|2,0,1]=4 301 B9R1.35 O[C@@H]1CN[C@H](C1)C(=O)O 1P003VEQ [0,0,0,1,0,0|2,0,1]=4 302 B9R1.35 O[C@H]1CC[C@@H](C1)C(=O)O 1P0095TY [0,0,0,1,0,0|1,0,2]=4 303 B9R1.35 O[C@H]1CC[C@H](C1)C(=O)O 1P01DNL5 [0,0,0,1,0,0|1,0,2]=4 304 B9R1.35 O[C@H]1CN[C@@H](C1)C(=O)O 1P00366L [0,0,0,1,0,0|2,0,1]=4 305 B9R1.35 O[C@H]1CN[C@@H](C1)C(=O)O 1P00CM8S [0,0,0,1,0,0|2,0,1]=4 306 B9R1.35 O[C@H]1CN[C@H](C1)C(=O)O 1P0039BL [0,0,0,1,0,0|2,0,1]=4 307 B9R1.35 O[C@H]1CN[C@H](C1)C(=O)O 1P003PG0 [0,0,0,1,0,0|2,0,1]=4 308 B9R1.46 C[C@@H]1C[C@H]1CCC(=O)O 1P02888H [0,0,0,1,0,0|1,0,2]=4 309 B9R1.49 NC1CCNC(=O)CC1 1P01C49D [0,0,0,1,0,0|1,0,2]=4 310 B9R1.67 NC1CCC1CC(=O)O 1P028TTK [0,0,0,1,0,0|0,0,2]=3 311 B9R1.69 BrC1CCC(=O)NC1=O 1P00ELFS [0,0,0,1,0,0|3,0,0]=4 312 B9R1.69 CC1CCC(=CC1=O)O 1P00AF9P [0,0,0,1,0,0|3,0,0]=4 313 B9R1.69 CC1CCC(=O)NC1=O 1P002Z75 [0,0,0,1,0,0|3,0,0]=4 314 B9R1.69 CC1NC(=O)CCC1N 1P01B8LC [0,0,0,1,0,0|1,0,2]=4 315 B9R1.69 CC1SCC(=O)OC1=O 1P00IQJ0 [0,0,0,1,0,0|3,0,0]=4 316 B9R1.69 NC1CCC(=O)NC1=O 1P002O2G [0,0,0,1,0,0|2,0,0]=3 317 B9R1.69 NC1CCC(=O)NC1=O 1P002PGM [0,0,0,1,0,0|2,0,0]=3 318 B9R1.69 NC1CCC(=O)NC1=O 1P01ENGU [0,0,0,1,0,0|2,0,0]=3 319 B9R1.69 N[C@@H]1CCC(=O)NC1=O 1P00AO1K [0,0,0,1,0,0|2,0,0]=3 320 B9R1.69 N[C@H]1CCC(=O)NC1=O 1P00BI8U [0,0,0,1,0,0|2,0,0]=3 321 B9R1.84 OC(=O)CCC1CCC1 1P00D98Y [0,0,0,1,0,0|1,0,2]=4 322 B9R1.86 CC[C@@H]1C[C@H]1CC(=O)O 1P0285MJ [0,0,0,1,0,0|1,0,2]=4 323 B9R1.95 BrCC1CC(C1)C(=O)O 1P00856Q [0,0,0,1,0,0|2,0,1]=4 324 B9R1.95 CCC1CC(C1)C(=O)O 1P00FGGE [0,0,0,1,0,0|1,0,2]=4 325 B9R1.95 CN[C@@H]1C[C@@H](C1)C(=O)O 1P01BW6H [0,0,0,1,0,0|2,0,1]=4 326 B9R1.95 COC1CC(C1)C(=O)O 1P00DG9X [0,0,0,1,0,0|2,0,1]=4 327 B9R1.95 CO[C@@H]1C[C@@H](C1)C(=O)O 1P00E8V0 [0,0,0,1,0,0|2,0,1]=4 328 B9R1.95 CO[C@@H]1C[C@H](C1)C(=O)O 1P001DBH [0,0,0,1,0,0|2,0,1]=4 329 B9R1.95 CSC1CC(C1)C(=O)O 1P027NSH [0,0,0,1,0,0|2,0,1]=4 330 B9R1.95 CS[C@@H]1C[C@@H](C1)C(=O)O 1P028AOW [0,0,0,1,0,0|2,0,1]=4 331 B9R1.95 CS[C@@H]1C[C@H](C1)C(=O)O 1P028SFQ [0,0,0,1,0,0|2,0,1]=4 332 B9R1.95 FCC1CC(C1)C(=O)O 1P00Q5GM [0,0,0,1,0,0|2,0,1]=4 333 B9R1.95 FC[C@@H]1C[C@H](C1)C(=O)O 1P0289PT [0,0,0,1,0,0|2,0,1]=4 334 B9R1.95 N#CC1CC(C1)C(=O)O 1P00I1SO [0,0,0,1,0,0|2,0,1]=4 335 B9R1.95 N#C[C@@H]1C[C@@H](C1)C(=O)O 1P028VQS [0,0,0,1,0,0|2,0,1]=4 336 B9R1.95 N#C[C@@H]1C[C@H](C1)C(=O)O 1P027S0Z [0,0,0,1,0,0|2,0,1]=4 337 B9R1.95 NCC1CC(C1)C(=O)O 1P0023NM [0,0,0,1,0,0|2,0,1]=4 338 B9R1.95 NC[C@@H]1C[C@@H](C1)C(=O)O 1P01JUV9 [0,0,0,1,0,0|2,0,1]=4 339 B9R1.95 NC[C@@H]1C[C@H](C1)C(=O)O 1P0289JE [0,0,0,1,0,0|2,0,1]=4 340 B9R1.125 CC1(CC)CCC(=O)O1 1P00BTK5 [0,0,0,1,0,0|1,0,2]=4 341 B9R1.125 CC1(CCC(=O)O1)C=C 1P003B29 [0,0,0,1,0,0|1,0,0]=2 342 B9R1.127 CC1(CC)CC1C(=O)O 1P01A00M [0,0,0,1,0,0|1,0,2]=4 343 B9R1.147 OC(=O)CCC1(C)CC1 1P004JGG [0,0,0,1,0,0|1,0,2]=4 344 B9R1.147 OC(=O)CCC1(C)N=N1 1P002QRO [0,0,0,1,0,0|3,0,0]=4 345 B9R1.147 OC(=O)CCC1(F)CC1 1P027V3V [0,0,0,1,0,0|1,0,2]=4 346 B7R0.2 CC(=C=C)CC(=O)O 1P028EHI [0,0,0,0,1,0|1,0,2]=4 347 B7R0.2 CC(C#N)CC(=O)O 1P01B8RV [0,0,0,0,1,0|2,0,1]=4 348 B7R0.2 CC(C=C)CC(=O)O 1P002H0Z [0,0,0,0,1,0|1,0,0]=2 349 B7R0.2 CC(C=C)OC(=O)C 1P003JM8 [0,0,0,0,1,0|3,0,0]=4 350 B7R0.2 CC(CC)CC(=O)O 1P00359B [0,0,0,0,1,0|1,0,2]=4 351 B7R0.2 CC(CF)CC(=O)O 1P01SVBB [0,0,0,0,1,0|2,0,1]=4 352 B7R0.2 CC(CN)CC(=O)O 1P01A0Y2 [0,0,0,0,1,0|2,0,1]=4 353 B7R0.2 CC(NC)CC(=O)O 1P001XOH [0,0,0,0,1,0|2,0,1]=4 354 B7R0.2 CC(OC)CC(=O)O 1P0001T2 [0,0,0,0,1,0|2,0,1]=4 355 B7R0.2 CC(SC)CC(=O)O 1P00B61I [0,0,0,0,1,0|2,0,1]=4 356 B7R0.2 CCC(CC(=O)O)N 1P003ANY [0,0,0,0,1,0|0,0,2]=3 357 B7R0.2 CCC(CC(=O)O)N 1P00AQ4O [0,0,0,0,1,0|0,0,2]=3 358 B7R0.2 CCC(CC(=O)O)O 1P0007RC [0,0,0,0,1,0|1,0,2]=4 359 B7R0.2 CC[C@@H](CC(=O)O)N 1P001J1T [0,0,0,0,1,0|0,0,2]=3 360 B7R0.2 CC[C@@H](CC(=O)O)N 1P01DTYS [0,0,0,0,1,0|0,0,2]=3 361 B7R0.2 CC[C@@H](CC(=O)O)O 1P01EKL5 [0,0,0,0,1,0|1,0,2]=4 362 B7R0.2 CC[C@H](CC(=O)O)N 1P00IJD7 [0,0,0,0,1,0|0,0,2]=3 363 B7R0.2 CC[C@H](CC(=O)O)O 1P01EKMU [0,0,0,0,1,0|1,0,2]=4 364 B7R0.2 C[C@@H](C=C)CC(=O)O 1P005CDB [0,0,0,0,1,0|1,0,0]=2 365 B7R0.2 C[C@@H](CC)CC(=O)O 1P007CFN [0,0,0,0,1,0|1,0,2]=4 366 B7R0.2 C[C@H](CC)CC(=O)O 1P00AQ4A [0,0,0,0,1,0|1,0,2]=4 367 B7R0.2 C[C@H](CN)CC(=O)O 1P01BS0C [0,0,0,0,1,0|2,0,1]=4 368 B7R0.2 C\C(=C\C(=O)O)\C=C 1P01EMNE [0,0,0,0,1,0|1,0,2]=4 369 B7R0.2 NCC(CC(=O)O)N 1P01AIHR [0,0,0,0,1,0|1,0,1]=3 370 B7R0.2 NCC(CC(=O)O)O 1P0036KT [0,0,0,0,1,0|2,0,1]=4 371 B7R0.2 NC[C@@H](CC(=O)O)C 1P01C10F [0,0,0,0,1,0|2,0,1]=4 372 B7R0.2 NC[C@@H](CC(=O)O)O 1P00FBR6 [0,0,0,0,1,0|2,0,1]=4 373 B7R0.2 NC[C@H](CC(=O)O)O 1P0032WR [0,0,0,0,1,0|2,0,1]=4 374 B7R0.2 NNC(CC(=O)O)C 1P01BE2H [0,0,0,0,1,0|3,0,0]=4 375 B7R0.2 O=CN(CC(=O)O)O 1P005NMO [0,0,0,0,1,0|3,0,0]=4 376 B7R0.2 OCC(CC(=O)O)N 1P00EDPJ [0,0,0,0,1,0|1,0,1]=3 377 B7R0.2 OC[C@@H](CC(=O)O)N 1P001VOE [0,0,0,0,1,0|1,0,1]=3 378 B7R0.2 OC[C@H](CC(=O)O)N 1P001VOD [0,0,0,0,1,0|1,0,1]=3 379 B7R0.2 O[C@H](CF)CC(=O)O 1P029037 [0,0,0,0,1,0|2,0,1]=4 380 B9R0.1 CCC(CCCC(=O)O)C 1P007TWS [0,0,0,0,0,1|1,0,2]=4 381 B9R0.1 OC(=O)CCOC(=O)C=C 1P002P99 [0,0,0,0,0,1|1,0,1]=3 382 B9R0.1 [O-]C(=O)CCNC(=O)C=C 1P01A1XR [0,0,0,0,0,1|1,0,2]=4 383 B6R0.1 C=CCC(C=C)O 1P003340 [2,0,0,0,0,0|1,0,1]=4 384 B6R0.1 CC(C=C)CCN 1P028CGJ [2,0,0,0,0,0|2,0,0]=4 385 B6R0.1 CCCC(C=C)O 1P0035G8 [2,0,0,0,0,0|1,0,1]=4 386 B6R0.1 COCC(C=C)N 1P01AD8K [2,0,0,0,0,0|1,0,1]=4 387 B6R0.1 OC(C=C)CCO 1P01IK6E [2,0,0,0,0,0|1,0,0]=3 388 B6R0.1 OCCC(CC)N 1P01AKWW [2,0,0,0,0,0|0,0,2]=4 389 B6R0.1 OCCC(CC)N 1P01XD7X [2,0,0,0,0,0|0,0,2]=4 390 B6R0.1 OCCC(CN)N 1P01AL1F [2,0,0,0,0,0|1,0,1]=4 391 B6R0.1 OCCC(CO)N 1P01B4Y6 [2,0,0,0,0,0|1,0,1]=4 392 B6R0.1 OCC[C@@H](CC)N 1P028XN3 [2,0,0,0,0,0|0,0,2]=4 393 B6R0.1 OCC[C@@H](CO)N 1P01BHZO [2,0,0,0,0,0|1,0,1]=4 394 B6R0.1 OCC[C@H](CC)N 1P028ZSN [2,0,0,0,0,0|0,0,2]=4 395 B6R0.1 OCC[C@H](CN)N 1P01AMDG [2,0,0,0,0,0|1,0,1]=4 396 B6R0.1 OCC[C@H](CO)N 1P00IDL8 [2,0,0,0,0,0|1,0,1]=4 397 B6R0.4 BrCCCC(=O)C 1P003N1I [2,0,0,0,0,0|2,0,0]=4 398 B6R0.4 BrCCCC(=O)Cl 1P0034F2 [2,0,0,0,0,0|2,0,0]=4 399 B6R0.4 BrCCCC(=O)O 1P002SV1 [2,0,0,0,0,0|1,0,0]=3 400 B6R0.4 C#CCCC(=O)O 1P0036LK [2,0,0,0,0,0|0,0,2]=4 401 B6R0.4 C=CC=CC(=O)O 1P00IBIF [2,0,0,0,0,0|0,0,2]=4 402 B6R0.4 C=CCCB(O)O 1P003P1R [2,0,0,0,0,0|1,0,1]=4 403 B6R0.4 C=CCCC(=O)C 1P0034QR [2,0,0,0,0,0|1,0,0]=3 404 B6R0.4 C=CCCC(=O)Cl 1P003MF0 [2,0,0,0,0,0|1,0,0]=3 405 B6R0.4 C=CCCC(=O)N 1P005PYG [2,0,0,0,0,0|1,0,0]=3 406 B6R0.4 C=CCCC(=O)O 1P0037ZD [2,0,0,0,0,0|0,0,0]=2 407 B6R0.4 C=CCCC(N)C 1P01PZMX [2,0,0,0,0,0|1,0,1]=4 408 B6R0.4 C=CCCC(O)C 1P003ZLZ [2,0,0,0,0,0|1,0,1]=4 409 B6R0.4 C=CCCC(O)C 1P019THJ [2,0,0,0,0,0|1,0,1]=4 410 B6R0.4 C=CCCS(=O)[O-] 1P028JDI [2,0,0,0,0,0|1,0,1]=4 411 B6R0.4 C=CCC[C@@H](O)C 1P001ZSP [2,0,0,0,0,0|1,0,1]=4 412 B6R0.4 C=CCC[C@H](O)C 1P001ZSO [2,0,0,0,0,0|1,0,1]=4 413 B6R0.4 C=C\C=C/C(=O)O 1P01DEBA [2,0,0,0,0,0|0,0,2]=4 414 B6R0.4 C=C\C=C\C(=O)O 1P0070UZ [2,0,0,0,0,0|0,0,2]=4 415 B6R0.4 CC(=O)NCC=C 1P005X25 [2,0,0,0,0,0|2,0,0]=4 416 B6R0.4 CC(=O)NCCN 1P0001ES [2,0,0,0,0,0|2,0,0]=4 417 B6R0.4 CC(=O)OCCN 1P01BHMJ [2,0,0,0,0,0|2,0,0]=4 418 B6R0.4 CC(=O)SCCN 1P0021WX [2,0,0,0,0,0|2,0,0]=4 419 B6R0.4 CCCCC(=O)Br 1P002HYG [2,0,0,0,0,0|1,0,1]=4 420 B6R0.4 CCCCC(=O)Cl 1P003698 [2,0,0,0,0,0|1,0,1]=4 421 B6R0.4 CCCCC(=O)N 1P0035X7 [2,0,0,0,0,0|1,0,1]=4 422 B6R0.4 CCCCC(=O)O 1P003696 [2,0,0,0,0,0|0,0,1]=3 423 B6R0.4 CCCCC(=O)[O-] 1P003697 [2,0,0,0,0,0|0,0,2]=4 424 B6R0.4 CCCC[Sn](=O)O 1P003P30 [2,0,0,0,0,0|1,0,1]=4 425 B6R0.4 CCNCC(=O)O 1P003TH0 [2,0,0,0,0,0|1,0,1]=4 426 B6R0.4 CCNCC(=O)O 1P00DUFI [2,0,0,0,0,0|1,0,1]=4 427 B6R0.4 CCOCC(=O)O 1P0033R4 [2,0,0,0,0,0|1,0,1]=4 428 B6R0.4 CCSCC(=O)O 1P003BF5 [2,0,0,0,0,0|1,0,1]=4 429 B6R0.4 CNCCC(=O)O 1P003IPE [2,0,0,0,0,0|1,0,1]=4 430 B6R0.4 CNCCC(=O)O 1P00IBZR [2,0,0,0,0,0|1,0,1]=4 431 B6R0.4 COCCC(=O)O 1P003K4N [2,0,0,0,0,0|1,0,1]=4 432 B6R0.4 C\C=C\CC(=O)O 1P001WA4 [2,0,0,0,0,0|0,0,2]=4 433 B6R0.4 ClC(=O)OCC=C 1P002YN7 [2,0,0,0,0,0|2,0,0]=4 434 B6R0.4 ClCCCC(=O)C 1P0034PM [2,0,0,0,0,0|2,0,0]=4 435 B6R0.4 ClCCCC(=O)Cl 1P0034GN [2,0,0,0,0,0|2,0,0]=4 436 B6R0.4 ClCCCC(=O)N 1P00C2BS [2,0,0,0,0,0|2,0,0]=4 437 B6R0.4 ClCCCC(=O)O 1P003LNQ [2,0,0,0,0,0|1,0,0]=3 438 B6R0.4 FCCCC(=O)O 1P00DWFR [2,0,0,0,0,0|1,0,0]=3 439 B6R0.4 ICCCC(=O)C 1P01I085 [2,0,0,0,0,0|2,0,0]=4 440 B6R0.4 ICCCC(=O)O 1P003M1J [2,0,0,0,0,0|1,0,0]=3 441 B6R0.4 N#CCCC(=O)O 1P001SGB [2,0,0,0,0,0|0,0,2]=4 442 B6R0.4 NC(=O)NCC=C 1P003O7H [2,0,0,0,0,0|2,0,0]=4 443 B6R0.4 NC(=O)OCC=C 1P00BJVU [2,0,0,0,0,0|2,0,0]=4 444 B6R0.4 NCC#CC(=O)O 1P01AFUK [2,0,0,0,0,0|0,0,2]=4 445 B6R0.4 NCC=CC(=O)O 1P01BG7C [2,0,0,0,0,0|0,0,2]=4 446 B6R0.4 NCCCB(O)O 1P01FJ8P [2,0,0,0,0,0|1,0,1]=4 447 B6R0.4 NCCCC(=C)Br 1P027WOG [2,0,0,0,0,0|2,0,0]=4 448 B6R0.4 NCCCC(=C)C 1P01CAMK [2,0,0,0,0,0|2,0,0]=4 449 B6R0.4 NCCCC(=C)C 1P01EMHE [2,0,0,0,0,0|2,0,0]=4 450 B6R0.4 NCCCC(=C)Cl 1P028BHT [2,0,0,0,0,0|2,0,0]=4 451 B6R0.4 NCCCC(=N)N 1P01ELZE [2,0,0,0,0,0|2,0,0]=4 452 B6R0.4 NCCCC(=O)N 1P000UR1 [2,0,0,0,0,0|1,0,0]=3 453 B6R0.4 NCCCC(=O)O 1P003L7U [2,0,0,0,0,0|0,0,0]=2 454 B6R0.4 NCCCC(O)C 1P0058AE [2,0,0,0,0,0|1,0,1]=4 455 B6R0.4 NCCCS(=O)C 1P01AH4P [2,0,0,0,0,0|2,0,0]=4 456 B6R0.4 NCCCS(=O)O 1P007O4D [2,0,0,0,0,0|1,0,0]=3 457 B6R0.4 NCCC[N+](=O)[O-] 1P0287WK [2,0,0,0,0,0|1,0,1]=4 458 B6R0.4 NCCNC(=O)N 1P00G2PY [2,0,0,0,0,0|2,0,0]=4 459 B6R0.4 NCCNC(=O)N 1P01B2YB [2,0,0,0,0,0|2,0,0]=4 460 B6R0.4 NCCOC(=O)N 1P01A50O [2,0,0,0,0,0|2,0,0]=4 461 B6R0.4 NC\C=C\C(=O)O 1P00IMT6 [2,0,0,0,0,0|0,0,2]=4 462 B6R0.4 NOCCC(=O)O 1P0037L4 [2,0,0,0,0,0|1,0,0]=3 463 B6R0.4 O=CCCC(=O)C 1P00F3IL [2,0,0,0,0,0|2,0,0]=4 464 B6R0.4 O=CCCC(=O)O 1P003UX2 [2,0,0,0,0,0|1,0,0]=3 465 B6R0.4 O=CCCC(C)C 1P0038PE [2,0,0,0,0,0|1,0,1]=4 466 B6R0.4 O=CCCC(F)F 1P024SGO [2,0,0,0,0,0|2,0,0]=4 467 B6R0.4 O=CNCC(=O)O 1P002QBB [2,0,0,0,0,0|2,0,0]=4 468 B6R0.4 OC(=O)CC=C=C 1P01HNC6 [2,0,0,0,0,0|0,0,2]=4 469 B6R0.4 OC(=O)C\C=C\Br 1P028E18 [2,0,0,0,0,0|1,0,1]=4 470 B6R0.4 OCCCC(=O)C 1P0034QX [2,0,0,0,0,0|2,0,0]=4 471 B6R0.4 OCCCC(=O)N 1P006EUD [2,0,0,0,0,0|2,0,0]=4 472 B6R0.4 OCCCC(N)C 1P0061LN [2,0,0,0,0,0|0,0,2]=4 473 B6R0.4 SCCCC(=O)O 1P000VMF [2,0,0,0,0,0|1,0,0]=3 474 B6R0.6 BrCCCCC=C 1P003N8U [2,0,0,0,0,0|1,0,1]=4 475 B6R0.6 BrCCCCC=O 1P000IND [2,0,0,0,0,0|1,0,1]=4 476 B6R0.6 C=CCCCC#C 1P00FCD4 [2,0,0,0,0,0|1,0,1]=4 477 B6R0.6 C=CCCCC#N 1P003N8T [2,0,0,0,0,0|1,0,1]=4 478 B6R0.6 C=CCCCC=O 1P00375P [2,0,0,0,0,0|0,0,0]=2 479 B6R0.6 C=CCCN=C=O 1P01B209 [2,0,0,0,0,0|1,0,1]=4 480 B6R0.6 C=CCNCC=C 1P000LTP [2,0,0,0,0,0|2,0,0]=4 481 B6R0.6 C=CCNCC=C 1P003PRN [2,0,0,0,0,0|2,0,0]=4 482 B6R0.6 C=CCOCC=C 1P003O6E [2,0,0,0,0,0|2,0,0]=4 483 B6R0.6 C=CCSCC=C 1P003O6N [2,0,0,0,0,0|2,0,0]=4 484 B6R0.6 CCCCCC=C 1P003EUA [2,0,0,0,0,0|1,0,1]=4 485 B6R0.6 CCCCCC=O 1P0033AJ [2,0,0,0,0,0|0,0,2]=4 486 B6R0.6 CNCCCC=C 1P01AK5P [2,0,0,0,0,0|2,0,0]=4 487 B6R0.6 CNCCCC=C 1P01EMGO [2,0,0,0,0,0|2,0,0]=4 488 B6R0.6 COCCCC=O 1P00CBQP [2,0,0,0,0,0|1,0,1]=4 489 B6R0.6 CSCCCC=O 1P00D7TQ [2,0,0,0,0,0|1,0,1]=4 490 B6R0.6 ClCCCCC=O 1P002DET [2,0,0,0,0,0|1,0,1]=4 491 B6R0.6 ICCCCC=C 1P002IJY [2,0,0,0,0,0|1,0,1]=4 492 B6R0.6 NCCCCC=C 1P007HPO [2,0,0,0,0,0|1,0,1]=4 493 B6R0.6 NOCCCC=C 1P027UXB [2,0,0,0,0,0|2,0,0]=4 494 B6R0.6 O=CCCCC#C 1P002YHZ [2,0,0,0,0,0|0,0,2]=4 495 B6R0.6 O=CCCCC#N 1P007FNK [2,0,0,0,0,0|1,0,1]=4 496 B6R0.6 OCCCCC=C 1P0034QQ [2,0,0,0,0,0|0,0,1]=3 497 B6R0.6 OCCCCC=O 1P003A4R [2,0,0,0,0,0|1,0,1]=4 498 B6R0.6 OCCNCC=C 1P01AJHW [2,0,0,0,0,0|1,0,1]=4 499 B6R0.6 OCCOCC=C 1P003BMO [2,0,0,0,0,0|1,0,1]=4 500 B8R0.8 NC(C(=O)N)CCC=C 1P01JMUL [1,1,0,0,0,0|2,0,0]=4 501 B8R0.8 NC(C(=O)O)CCC=C 1P007E72 [1,1,0,0,0,0|2,0,0]=4 502 B8R0.8 NC(C(=O)O)CCC=C 1P01AD07 [1,1,0,0,0,0|2,0,0]=4 503 B8R0.8 N[C@@H](C(=O)O)CCC=C 1P008ZPZ [1,1,0,0,0,0|2,0,0]=4 504 B8R0.8 N[C@H](C(=O)O)CCC=C 1P006G8O [1,1,0,0,0,0|2,0,0]=4 505 B8R0.8 OCCC[C@@H](C(=O)O)N 1P003D1M [1,1,0,0,0,0|1,0,1]=4 506 B8R0.8 OCCC[C@H](C(=O)O)N 1P01B7SX [1,1,0,0,0,0|1,0,1]=4 507 B8R0.5 C#CC[C@@H](CC(=O)O)N 1P003D2I [1,1,0,0,0,0|0,0,2]=4 508 B8R0.5 C#CC[C@H](CC(=O)O)N 1P003CQ9 [1,1,0,0,0,0|0,0,2]=4 509 B8R0.5 C=CC[C@@H](CC(=O)O)N 1P00BFY7 [1,1,0,0,0,0|0,0,0]=2 510 B8R0.5 C=CC[C@H](CC(=O)O)N 1P005A10 [1,1,0,0,0,0|0,0,0]=2 511 B8R0.5 C=CC[C@H](CC(=O)O)N 1P00CMPH [1,1,0,0,0,0|0,0,0]=2 512 B8R0.5 CCCC(CC(=O)O)C 1P00C0ML [1,1,0,0,0,0|0,0,2]=4 513 B8R0.5 CCCC(CC(=O)O)N 1P00EBTZ [1,1,0,0,0,0|0,0,2]=4 514 B8R0.5 CCCC(CC(=O)O)O 1P0006E4 [1,1,0,0,0,0|0,0,2]=4 515 B8R0.5 CCC[C@@H](CC(=O)O)N 1P006D2E [1,1,0,0,0,0|0,0,2]=4 516 B8R0.5 CCC[C@@H](CC(=O)O)N 1P00EM67 [1,1,0,0,0,0|0,0,2]=4 517 B8R0.5 CCC[C@@H](CC(=O)O)O 1P006NFR [1,1,0,0,0,0|0,0,2]=4 518 B8R0.5 CNCC(CC(=O)O)O 1P01APWE [1,1,0,0,0,0|1,0,1]=4 519 B8R0.5 COCC(CC(=O)O)C 1P019ZSS [1,1,0,0,0,0|1,0,1]=4 520 B8R0.5 COC[C@@H](CC(=O)O)N 1P01FISX [1,1,0,0,0,0|1,0,1]=4 521 B8R0.5 NCCC(CC(=O)O)C 1P01A1JJ [1,1,0,0,0,0|1,0,1]=4 522 B8R0.5 NCCC(CC(=O)O)O 1P01DIXB [1,1,0,0,0,0|1,0,1]=4 523 B8R0.5 NCC[C@@H](CC(=O)O)N 1P028LAX [1,1,0,0,0,0|1,0,1]=4 524 B8R0.5 NCC[C@@H](CC(=O)O)O 1P028UKC [1,1,0,0,0,0|1,0,1]=4 525 B8R0.5 NCC[C@H](CC(=O)O)C 1P0283UC [1,1,0,0,0,0|1,0,1]=4 526 B8R0.7 BrCCCCCC(=O)O 1P003NLF [1,1,0,0,0,0|0,0,2]=4 527 B8R0.7 BrCCOCCC(=O)O 1P00HVZX [1,1,0,0,0,0|1,0,1]=4 528 B8R0.7 C#CCCCCC(=O)O 1P00328D [1,1,0,0,0,0|0,0,2]=4 529 B8R0.7 C#CCCNCC(=O)O 1P0284YX [1,1,0,0,0,0|0,0,2]=4 530 B8R0.7 C#CCOCCC(=O)O 1P00E6C4 [1,1,0,0,0,0|0,0,2]=4 531 B8R0.7 C=CCCCCB(O)O 1P003RC0 [1,1,0,0,0,0|1,0,1]=4 532 B8R0.7 C=CCCCCC(=O)C 1P00D0BP [1,1,0,0,0,0|1,0,0]=3 533 B8R0.7 C=CCCCCC(=O)O 1P0038GR [1,1,0,0,0,0|0,0,0]=2 534 B8R0.7 C=CCCNCC(=O)N 1P01BGFU [1,1,0,0,0,0|1,0,0]=3 535 B8R0.7 C=CCCOCC(=O)O 1P019Y59 [1,1,0,0,0,0|0,0,0]=2 536 B8R0.7 C=CCNCCC(=O)O 1P027Z6N [1,1,0,0,0,0|0,0,0]=2 537 B8R0.7 C=CCOCCC(=O)O 1P003417 [1,1,0,0,0,0|0,0,0]=2 538 B8R0.7 C=COCCSC(=O)C 1P001PL5 [1,1,0,0,0,0|2,0,0]=4 539 B8R0.7 CC#CCCCC(=O)O 1P01A676 [1,1,0,0,0,0|0,0,2]=4 540 B8R0.7 CCCCCCC(=O)O 1P003RBO [1,1,0,0,0,0|0,0,2]=4 541 B8R0.7 CCCCNCC(=O)O 1P00J7X7 [1,1,0,0,0,0|0,0,2]=4 542 B8R0.7 CCCCOCC(=O)O 1P002R5S [1,1,0,0,0,0|0,0,2]=4 543 B8R0.7 CCCCSCC(=O)O 1P002AX9 [1,1,0,0,0,0|0,0,2]=4 544 B8R0.7 CCCNCCC(=O)O 1P01ELYG [1,1,0,0,0,0|0,0,2]=4 545 B8R0.7 CCCOCCC(=O)O 1P002BD9 [1,1,0,0,0,0|0,0,2]=4 546 B8R0.7 CCNCCCC(=O)O 1P002K4U [1,1,0,0,0,0|0,0,2]=4 547 B8R0.7 CCOCCCC(=O)O 1P019NUT [1,1,0,0,0,0|0,0,2]=4 548 B8R0.7 CNCCCCC(=O)O 1P01DX5C [1,1,0,0,0,0|0,0,2]=4 549 B8R0.7 COCCCCC(=O)O 1P006CGN [1,1,0,0,0,0|0,0,2]=4 550 B8R0.7 COCCNCC(=O)O 1P019TZB [1,1,0,0,0,0|1,0,1]=4 551 B8R0.7 COCCNCC(=O)O 1P01AIYV [1,1,0,0,0,0|1,0,1]=4 552 B8R0.7 COCCOCC(=O)O 1P001S9I [1,1,0,0,0,0|1,0,1]=4 553 B8R0.7 COCCSCC(=O)O 1P019MH3 [1,1,0,0,0,0|1,0,1]=4 554 B8R0.7 CSCCCCC(=O)O 1P005LP5 [1,1,0,0,0,0|0,0,2]=4 555 B8R0.7 CSCCNCC(=O)O 1P01B5S2 [1,1,0,0,0,0|1,0,1]=4 556 B8R0.7 CSCCOCC(=O)O 1P028X17 [1,1,0,0,0,0|1,0,1]=4 557 B8R0.7 CSSCCCC(=O)O 1P0018IE [1,1,0,0,0,0|1,0,1]=4 558 B8R0.7 ClCCCCCC(=O)O 1P0034TE [1,1,0,0,0,0|0,0,2]=4 559 B8R0.7 FCCCCCC(=O)O 1P00CWI0 [1,1,0,0,0,0|0,0,2]=4 560 B8R0.7 FCCCOCC(=O)O 1P028I6M [1,1,0,0,0,0|1,0,1]=4 561 B8R0.7 ICCCCCC(=O)O 1P01I3B5 [1,1,0,0,0,0|0,0,2]=4 562 B8R0.7 N#CCCCCC(=O)O 1P00DRW1 [1,1,0,0,0,0|0,0,2]=4 563 B8R0.7 N#CCCNCC(=O)O 1P00320S [1,1,0,0,0,0|1,0,1]=4 564 B8R0.7 N#CCCSCC(=O)O 1P028JU6 [1,1,0,0,0,0|1,0,1]=4 565 B8R0.7 NCCCCCC(=O)O 1P0034SA [1,1,0,0,0,0|0,0,2]=4 566 B8R0.7 NCCCCCC(=O)O 1P00D9C9 [1,1,0,0,0,0|0,0,2]=4 567 B8R0.7 NCCCOCC(=O)O 1P01FIX4 [1,1,0,0,0,0|1,0,1]=4 568 B8R0.7 NCCNCCC(=O)O 1P01A1P4 [1,1,0,0,0,0|1,0,1]=4 569 B8R0.7 NCCOCCC(=O)O 1P00HXT3 [1,1,0,0,0,0|1,0,1]=4 570 B8R0.7 NCCOCCC(=O)O 1P01ELVI [1,1,0,0,0,0|1,0,1]=4 571 B8R0.7 O=C(O)COCCC#C 1P01K8OJ [1,1,0,0,0,0|0,0,2]=4 572 B8R0.7 O=CCCCCC(=O)O 1P0068NJ [1,1,0,0,0,0|0,0,1]=3 573 B8R0.7 O=CNCCCC(=O)O 1P00BSRZ [1,1,0,0,0,0|1,0,0]=3 574 B8R0.7 OCCCCCC(=O)O 1P000INE [1,1,0,0,0,0|0,0,2]=4 575 B8R0.7 OCCNCCC(=O)O 1P00DHB0 [1,1,0,0,0,0|1,0,1]=4 576 B8R0.7 OCCOCCC(=O)O 1P00IG2B [1,1,0,0,0,0|1,0,1]=4 577 B8R0.7 S=C=NCCCC(=O)O 1P01ADPS [1,1,0,0,0,0|1,0,1]=4 578 B8R0.7 SCCCCCC(=O)O 1P0025EW [1,1,0,0,0,0|0,0,2]=4 579 B8R0.7 SCCOCCC(=O)O 1P01FGCI [1,1,0,0,0,0|1,0,1]=4 580 B8R0.7 [N-]=[N+]=NCCCC(=O)O 1P00DGWV [1,1,0,0,0,0|2,0,0]=4 581 B8R0.7 [O-]CCCCCC(=O)O 1P00DYY3 [1,1,0,0,0,0|0,0,2]=4 582 B8R0.21 C=CCCCS(=O)(=N)C 1P028WY5 [1,1,0,0,0,0|2,0,0]=4 583 B8R0.21 C=CCCCS(=O)(=O)Cl 1P01BBHR [1,1,0,0,0,0|1,0,1]=4 584 B8R0.21 C=CCCCS(=O)(=O)N 1P002OX7 [1,1,0,0,0,0|1,0,1]=4 585 B8R0.28 CC(=C)CCCC(=O)O 1P00DCNZ [1,1,0,0,0,0|0,0,0]=2 586 B8R0.28 CC(=C)COCC(=O)O 1P0002E6 [1,1,0,0,0,0|1,0,0]=3 587 B8R0.28 CC(=O)CCCC(=O)C 1P00700E [1,1,0,0,0,0|1,0,1]=4 588 B8R0.28 CC(=O)CCCC(=O)O 1P003NES [1,1,0,0,0,0|0,0,1]=3 589 B8R0.28 CC(CCCC(=O)O)N 1P01A3UJ [1,1,0,0,0,0|0,0,2]=4 590 B8R0.28 CC(CCCC(=O)O)O 1P003N9B [1,1,0,0,0,0|0,0,2]=4 591 B8R0.28 CN(CCCC(=O)O)C 1P0034HC [1,1,0,0,0,0|1,0,1]=4 592 B8R0.28 CN(CCCC(=O)O)C 1P0034HD [1,1,0,0,0,0|1,0,1]=4 593 B8R0.28 ClC(=O)CCCC(=O)Cl 1P000YGY [1,1,0,0,0,0|2,0,0]=4 594 B8R0.28 FC(CCCC(=O)O)F 1P01AM1G [1,1,0,0,0,0|1,0,1]=4 595 B8R0.28 NC(=N)NCCC(=O)O 1P00I7GY [1,1,0,0,0,0|2,0,0]=4 596 B8R0.28 NC(=O)CCCC(=O)N 1P003U2U [1,1,0,0,0,0|2,0,0]=4 597 B8R0.28 NC(=O)CCCC(=O)O 1P00BHF1 [1,1,0,0,0,0|1,0,0]=3 598 B8R0.28 NC(=O)CNCC(=O)O 1P028IIA [1,1,0,0,0,0|2,0,0]=4 599 B8R0.28 NC(=O)COCC(=O)O 1P007QEZ [1,1,0,0,0,0|2,0,0]=4 600 B8R0.28 NC(=O)CSCC(=O)O 1P00151K [1,1,0,0,0,0|2,0,0]=4 601 B8R0.28 OC(=O)CCC=C(C)C 1P00EDMO [1,1,0,0,0,0|0,0,2]=4 602 B8R0.28 OC(=O)CCCC(=O)O 1P003R8G [1,1,0,0,0,0|1,0,0]=3 603 B8R0.28 OC(=O)CCNC(=O)C 1P002ZTO [1,1,0,0,0,0|1,0,1]=4 604 B8R0.28 OC(=O)CCNC(=O)N 1P003KDU [1,1,0,0,0,0|2,0,0]=4 605 B8R0.28 OC(=O)CCOC(=O)C 1P019UFL [1,1,0,0,0,0|1,0,1]=4 606 B8R0.28 OC(=O)CCSC(=O)C 1P003IMM [1,1,0,0,0,0|1,0,1]=4 607 B8R0.28 OC(=O)CNCC(=O)O 1P0035HA [1,1,0,0,0,0|2,0,0]=4 608 B8R0.28 OC(=O)CNCC(=O)O 1P00BHE4 [1,1,0,0,0,0|2,0,0]=4 609 B8R0.28 OC(=O)COCC(=O)O 1P003FT6 [1,1,0,0,0,0|2,0,0]=4 610 B8R0.28 OC(=O)CSCC(=O)O 1P000KEA [1,1,0,0,0,0|2,0,0]=4 611 B8R0.28 SC(=N)NCCC(=O)O 1P003K2U [1,1,0,0,0,0|2,0,0]=4 612 B8R0.28 [O-]C(=O)CNCC(=O)O 1P0021RM [1,1,0,0,0,0|2,0,0]=4 613 B8R0.28 [O-][N+](=O)CCCC(=O)O 1P001VKG [1,1,0,0,0,0|2,0,0]=4 614 B8R0.23 BrC(=C)C[C@@H](C(=O)O)N 1P001NL1 [1,1,0,0,0,0|1,0,1]=4 615 B8R0.23 BrC(=C)C[C@H](C(=O)O)N 1P002TW5 [1,1,0,0,0,0|1,0,1]=4 616 B8R0.23 BrC(C(=O)O)CC(C)C 1P003A9V [1,1,0,0,0,0|1,0,1]=4 617 B8R0.23 Br[C@@H](C(=O)O)CC(C)C 1P01DJ3Z [1,1,0,0,0,0|1,0,1]=4 618 B8R0.23 Br[C@H](C(=O)O)CC(C)C 1P00C23F [1,1,0,0,0,0|1,0,1]=4 619 B8R0.23 CC(=C)CC(C(=O)O)C 1P01A6K2 [1,1,0,0,0,0|1,0,1]=4 620 B8R0.23 CC(=C)CC(C(=O)O)N 1P01BEQC [1,1,0,0,0,0|1,0,1]=4 621 B8R0.23 CC(=C)CC(C(=O)O)N 1P028BSM [1,1,0,0,0,0|1,0,1]=4 622 B8R0.23 CC(=C)C[C@@H](C(=O)O)C 1P01DVEX [1,1,0,0,0,0|1,0,1]=4 623 B8R0.23 CC(=C)C[C@@H](C(=O)O)N 1P004H6G [1,1,0,0,0,0|1,0,1]=4 624 B8R0.23 CC(=C)C[C@H](C(=O)O)N 1P01JNFJ [1,1,0,0,0,0|1,0,1]=4 625 B8R0.23 CC(C(=O)O)CC(C)C 1P00EBFG [1,1,0,0,0,0|1,0,1]=4 626 B8R0.23 CC(C(=O)O)CC(F)F 1P01B9Z0 [1,1,0,0,0,0|2,0,0]=4 627 B8R0.23 CC(C(=O)O)CC(N)C 1P02914Z [1,1,0,0,0,0|0,0,1]=3 628 B8R0.23 CC(C(C)C)CC(=O)O 1P00C0MG [1,1,0,0,0,0|1,0,1]=4 629 B8R0.23 CC(C(F)F)CC(=O)O 1P01DZF1 [1,1,0,0,0,0|2,0,0]=4 630 B8R0.23 ClC(=C)CC(C(=O)O)N 1P01BYCS [1,1,0,0,0,0|1,0,1]=4 631 B8R0.23 ClC(=C)C[C@@H](C(=O)O)N 1P01C11V [1,1,0,0,0,0|1,0,1]=4 632 B8R0.23 ClC(=C)C[C@H](C(=O)O)N 1P01BRKB [1,1,0,0,0,0|1,0,1]=4 633 B8R0.23 Cl[C@H](C(=O)O)CC(C)C 1P002WHA [1,1,0,0,0,0|1,0,1]=4 634 B8R0.23 FC(C(=O)O)CC(C)C 1P01DWZS [1,1,0,0,0,0|1,0,1]=4 635 B8R0.23 NC(=O)CC(C(=O)O)C 1P01B9DC [1,1,0,0,0,0|1,0,1]=4 636 B8R0.23 NC(=O)CC(C(=O)O)N 1P003Q9E [1,1,0,0,0,0|1,0,1]=4 637 B8R0.23 NC(=O)C[C@@H](C(=O)O)N 1P0035JS [1,1,0,0,0,0|1,0,1]=4 638 B8R0.23 NC(=O)C[C@@H](C(=O)O)N 1P00IARL [1,1,0,0,0,0|1,0,1]=4 639 B8R0.23 NC(=O)C[C@@H](C(=O)O)O 1P01I6GV [1,1,0,0,0,0|1,0,1]=4 640 B8R0.23 NC(=O)C[C@@H](C(=O)O)[15NH2] 1P00CG1O [1,1,0,0,0,0|1,0,1]=4 641 B8R0.23 NC(=O)C[C@H](C(=O)O)N 1P002AUA [1,1,0,0,0,0|1,0,1]=4 642 B8R0.23 NC(=O)C[C@H](C(=O)O)N 1P003RAT [1,1,0,0,0,0|1,0,1]=4 643 B8R0.23 NC(=O)C[C@H](C(=O)O)O 1P028HNM [1,1,0,0,0,0|1,0,1]=4 644 B8R0.23 NC(C(=O)O)CC(C)C 1P003QAO [1,1,0,0,0,0|1,0,1]=4 645 B8R0.23 NC(C(=O)O)CC(F)F 1P01AA1M [1,1,0,0,0,0|2,0,0]=4 646 B8R0.23 NC(C(=O)O)CC(F)F 1P01AA1V [1,1,0,0,0,0|2,0,0]=4 647 B8R0.23 NC(C(C)C)CC(=O)O 1P00382D [1,1,0,0,0,0|1,0,1]=4 648 B8R0.23 NC(C(C)C)CC(=O)O 1P00IWGX [1,1,0,0,0,0|1,0,1]=4 649 B8R0.23 N[C@@H](C(=O)O)CC(C)C 1P007J6D [1,1,0,0,0,0|1,0,1]=4 650 B8R0.23 N[C@@H](C(=O)O)CC(F)F 1P01HEGY [1,1,0,0,0,0|2,0,0]=4 651 B8R0.23 N[C@@H](C(C)C)CC(=O)O 1P006Z1W [1,1,0,0,0,0|1,0,1]=4 652 B8R0.23 N[C@@H](C(C)C)CC(=O)O 1P00G3E9 [1,1,0,0,0,0|1,0,1]=4 653 B8R0.23 N[C@H](C(=O)O)CC(C)C 1P00F3FK [1,1,0,0,0,0|1,0,1]=4 654 B8R0.23 N[C@H](C(=O)O)CC(F)F 1P0201VO [1,1,0,0,0,0|2,0,0]=4 655 B8R0.23 N[C@H](C(C)C)CC(=O)O 1P00C07B [1,1,0,0,0,0|1,0,1]=4 656 B8R0.23 N[C@H](C(C)C)CC(=O)O 1P00C7Q3 [1,1,0,0,0,0|1,0,1]=4 657 B8R0.23 OC(=O)CC(C(=O)N)C 1P01A53J [1,1,0,0,0,0|1,0,1]=4 658 B8R0.23 OC(=O)C[C@@H](C(=C)C)O 1P01AG8W [1,1,0,0,0,0|1,0,1]=4 659 B8R0.23 OC(=O)C[C@@H](C(=O)N)N 1P00C1KL [1,1,0,0,0,0|1,0,1]=4 660 B8R0.23 OC(=O)C[C@H](C(=O)N)N 1P002D2Z [1,1,0,0,0,0|1,0,1]=4 661 B8R0.23 OC(=O)C[C@H]([C@H](O)C)N 1P002G1K [1,1,0,0,0,0|1,0,1]=4 662 B8R0.23 OC(=O)C[C@H]([C@H](O)C)N 1P00C8FV [1,1,0,0,0,0|1,0,1]=4 663 B8R0.23 OC(C(=O)O)CC(C)C 1P003HV8 [1,1,0,0,0,0|1,0,1]=4 664 B8R0.23 OC(C(=O)O)CC(F)F 1P028WXF [1,1,0,0,0,0|2,0,0]=4 665 B8R0.23 O[C@@H](C(=O)O)CC(C)C 1P00295B [1,1,0,0,0,0|1,0,1]=4 666 B8R0.23 O[C@@H](C(C)C)CC(=O)O 1P005E7Z [1,1,0,0,0,0|1,0,1]=4 667 B8R0.23 O[C@H](C(=O)O)CC(C)C 1P0013SV [1,1,0,0,0,0|1,0,1]=4 668 B8R0.23 O[C@H](C(C)C)CC(=O)O 1P01AG46 [1,1,0,0,0,0|1,0,1]=4 669 B8R0.23 [15NH2][C@H](C(=O)O)CC(C)C 1P00EE4Y [1,1,0,0,0,0|1,0,1]=4 670 B8R0.29 OC(=O)CCC(Br)(F)F 1P001FA2 [1,1,0,0,0,0|2,0,0]=4 671 B8R0.29 OC(=O)CCC(C)(C)C 1P008SUK [1,1,0,0,0,0|1,0,1]=4 672 B8R0.29 OC(=O)CCC(Cl)(Cl)Cl 1P002NQT [1,1,0,0,0,0|2,0,0]=4 673 B8R0.29 OC(=O)CCC(F)(C)C 1P028N2G [1,1,0,0,0,0|1,0,1]=4 674 B8R0.29 OC(=O)CCC(F)(F)C 1P019NK4 [1,1,0,0,0,0|1,0,1]=4 675 B8R0.29 OC(=O)CCC(F)(F)F 1P003KTI [1,1,0,0,0,0|2,0,0]=4 676 B8R0.29 OC(=O)CCC(N)(C)C 1P00J22H [1,1,0,0,0,0|0,0,1]=3 677 B8R0.29 OC(=O)CCC(S)(C)C 1P009D4O [1,1,0,0,0,0|1,0,1]=4 678 B8R0.29 OC(=O)CCS(=O)(=O)N 1P007GOU [1,1,0,0,0,0|2,0,0]=4 679 B8R0.2 C=CC(C(C(=O)O)C)C 1P01A705 [0,1,0,0,1,0|1,0,0]=3 680 B8R0.16 CCC(C=C)CC(=O)O 1P01C9IX [0,1,0,0,1,0|1,0,0]=3 681 B8R0.16 CCC(CC(=O)O)CN 1P01A0VW [0,1,0,0,1,0|0,0,2]=4 682 B8R0.16 COC(CN)CC(=O)O 1P01BDG7 [0,1,0,0,1,0|1,0,1]=4 683 B8R0.34 C=CC(CC(=O)N)(C)C 1P01B6U9 [0,1,0,0,1,0|2,0,0]=4 684 B8R0.34 C=CC(CC(=O)O)(C)C 1P005EPY [0,1,0,0,1,0|1,0,0]=3 685 B8R0.34 C=CS(=O)(=O)CC(=O)O 1P01BB0F [0,1,0,0,1,0|2,0,0]=4 686 B8R0.34 CC(C=C)(CC(=O)O)O 1P01BEXX [0,1,0,0,1,0|1,0,0]=3 687 B10R0.3 OC(=O)CCNC(=O)C=CCl 1P019N6I [0,1,0,0,0,1|1,0,1]=4 688 B10R0.59 CCC(CCCC(=O)OC)N 1P028VJ6 [0,1,0,0,0,1|0,0,2]=4 689 B10R0.59 COC(=O)CCNC(=O)C=C 1P00H438 [0,1,0,0,0,1|1,0,1]=4 690 B10R0.82 CCC(COC(C(=O)O)C)N 1P0281QB [0,1,0,0,0,1|0,0,2]=4 691 B10R0.82 FCC(CCC(C(=O)O)N)N 1P01BGZI [0,1,0,0,0,1|1,0,1]=4 692 B10R0.98 CC(=O)NCC[C@@H](C(=O)O)N 1P000PH3 [0,1,0,0,0,1|2,0,0]=4 693 B10R0.98 CC(=O)OCC[C@@H](C(=O)O)N 1P005CCV [0,1,0,0,0,1|2,0,0]=4 694 B10R0.98 OC(=O)CCCC(C(=O)O)N 1P00DEIR [0,1,0,0,0,1|1,0,0]=3 695 B10R0.98 OC(=O)CCCC(C(=O)O)N 1P01DJGD [0,1,0,0,0,1|1,0,0]=3 696 B10R0.98 OC(=O)CCCC(C(=O)O)O 1P0024QX [0,1,0,0,0,1|2,0,0]=4 697 B10R0.98 OC(=O)CCCC(C(C)C)N 1P028XXR [0,1,0,0,0,1|0,0,2]=4 698 B10R0.98 OC(=O)CCC[C@@H](C(=O)O)N 1P007VUE [0,1,0,0,0,1|1,0,0]=3 699 B10R0.98 OC(=O)CCC[C@H](C(=O)O)N 1P0032VJ [0,1,0,0,0,1|1,0,0]=3 700 B10R0.98 OC(=O)CCOC(=O)C(=C)C 1P028DP3 [0,1,0,0,0,1|1,0,1]=4 701 B10R0.98 OC(=O)CSCC(C(=O)O)N 1P00BGT0 [0,1,0,0,0,1|1,0,0]=3 702 B10R0.98 OC(=O)CSC[C@@H](C(=O)O)N 1P003P5Y [0,1,0,0,0,1|1,0,0]=3 703 B10R0.12 NC(C(F)(F)F)CCC(=O)O 1P01B4OW [0,2,0,0,0,0|1,0,1]=4 704 B10R0.43 OC(=O)CCC(C(=O)C)(C)C 1P01A219 [0,2,0,0,0,0|1,0,1]=4 705 B10R0.43 OC(=O)CCC(C(=O)O)(C)C 1P003FSD [0,2,0,0,0,0|2,0,0]=4 706 B10R0.43 OC(=O)CCC(C(=O)O)(F)F 1P00CBFY [0,2,0,0,0,0|2,0,0]=4 707 B10R0.43 OC(=O)CC[C@@](C(=O)O)(N)C 1P0285AP [0,2,0,0,0,0|1,0,0]=3 708 B10R0.84 CNC(C(=O)O)CCC(=O)O 1P003TO8 [0,2,0,0,0,0|1,0,0]=3 709 B10R0.84 CN[C@H](C(=O)O)CCC(=O)O 1P006FBP [0,2,0,0,0,0|1,0,0]=3 710 B10R0.92 OC(=O)C(CCP(=O)(O)O)N 1P0028T3 [0,2,0,0,0,0|2,0,0]=4 711 B10R0.92 OC(=O)C(CCS(=O)(=O)O)N 1P0001E7 [0,2,0,0,0,0|2,0,0]=4 712 B10R0.92 OC(=O)[C@H](CCP(=O)(O)O)N 1P00I4Z9 [0,2,0,0,0,0|2,0,0]=4 713 B10R0.92 OC(=O)[C@H](CCS(=O)(=O)O)N 1P001LI5 [0,2,0,0,0,0|2,0,0]=4 714 B10R0.93 CC(=O)C(CC(C(=O)O)C)C 1P0288LU [0,2,0,0,0,0|1,0,1]=4 715 B10R0.93 CC(C(=O)O)CC(C(=O)O)C 1P00BCUO [0,2,0,0,0,0|2,0,0]=4 716 B10R0.93 NC(=O)[C@H](C[C@H](C(=O)N)F)N 1P0283WT [0,2,0,0,0,0|2,0,0]=4 717 B10R0.93 NC(=O)[C@H](C[C@H](C(=O)N)F)N 1P0284LE [0,2,0,0,0,0|2,0,0]=4 718 B10R0.93 NC(C(=O)O)CC(=C)C(=O)O 1P028JCN [0,2,0,0,0,0|1,0,1]=4 719 B10R0.93 N[C@H](C(=O)O)C[C@@H](C(=O)O)N 1P001R0R [0,2,0,0,0,0|1,0,0]=3 720 B10R0.93 OC(=O)[C@H](C[C@@H](C(=O)O)F)N 1P028UV8 [0,2,0,0,0,0|1,0,0]=3 721 B10R0.93 OC(=O)[C@H](C[C@H](C(=O)O)F)N 1P028UFW [0,2,0,0,0,0|1,0,0]=3 722 B10R0.93 OC(=O)[C@H](C[C@H](C(=O)O)O)N 1P002Q3U [0,2,0,0,0,0|1,0,0]=3 723 B10R0.115 COC(=O)CCC(C=O)(C)C 1P01FYUG [0,2,0,0,0,0|2,0,0]=4 724 B10R0.108 CCOC(=O)CCC(CN)N 1P028TL6 [0,2,0,0,0,0|1,0,1]=4 725 B10R0.26 N[C@H](C(=O)O)C[S@@](=O)CC=C 1P00IL20 [0,2,0,0,0,0|2,0,0]=4 726 B10R0.67 C=CC(CC(=O)C(=O)O)(C)C 1P01DZQ2 [0,2,0,0,0,0|1,0,1]=4 727 B10R0.121 CCC(CCC(=O)O)(CC)N 1P028TN7 [0,2,0,0,0,0|0,0,2]=4 728 B10R0.96 NC(=O)CC[C@@H](CC(=O)O)N 1P00C7Q1 [0,2,0,0,0,0|1,0,1]=4 729 B10R0.96 OC(=O)CCC(CC(=O)C)C 1P01B73K [0,2,0,0,0,0|1,0,1]=4 730 B10R0.96 OC(=O)CCC(CC(=O)O)C 1P00IMZ3 [0,2,0,0,0,0|1,0,1]=4 731 B10R0.96 OC(=O)CC[C@@H](CC(=O)O)N 1P003D2K [0,2,0,0,0,0|0,0,1]=3 732 B10R0.96 OC(=O)CC[C@H](CC(=O)O)C 1P003CM8 [0,2,0,0,0,0|1,0,1]=4 733 B10R0.96 [13C](=CC(CCC(=O)O)N)([2H])[2H] 1P01XI8Z [0,2,0,0,0,0|0,0,0]=2 734 B8R1.1 BrCC1CCC(=O)N1 1P002EX6 [1,0,0,1,0,0|1,0,1]=4 735 B8R1.1 BrC[C@@H]1CCC(=O)N1 1P003D3E [1,0,0,1,0,0|1,0,1]=4 736 B8R1.1 BrC[C@H]1CCC(=O)N1 1P003BFH [1,0,0,1,0,0|1,0,1]=4 737 B8R1.1 C=CC1CCC(=O)N1 1P005MVU [1,0,0,1,0,0|0,0,0]=2 738 B8R1.1 C=CC1COC(=O)C1 1P00DBKX [1,0,0,1,0,0|2,0,0]=4 739 B8R1.1 C=CC1COC(=O)O1 1P0038BL [1,0,0,1,0,0|2,0,0]=4 740 B8R1.1 C=C[C@@H]1COC(=O)C1 1P0016X1 [1,0,0,1,0,0|2,0,0]=4 741 B8R1.1 C=C[C@H]1COC(=O)C1 1P008Y5W [1,0,0,1,0,0|2,0,0]=4 742 B8R1.1 C=C[C@H]1COC(=O)N1 1P001ELD [1,0,0,1,0,0|1,0,0]=3 743 B8R1.1 CCC1CCC(=O)N1 1P009RS0 [1,0,0,1,0,0|0,0,2]=4 744 B8R1.1 CC[C@H]1CCC(=O)N1 1P0292WG [1,0,0,1,0,0|0,0,2]=4 745 B8R1.1 COC1CCC(=O)N1 1P00EFE7 [1,0,0,1,0,0|1,0,1]=4 746 B8R1.1 ICC1CCC(=O)N1 1P019GN0 [1,0,0,1,0,0|1,0,1]=4 747 B8R1.1 NCC1CCC(=O)N1 1P000H1S [1,0,0,1,0,0|1,0,1]=4 748 B8R1.1 NCC1CCC(=O)N1 1P003MND [1,0,0,1,0,0|1,0,1]=4 749 B8R1.1 NCC1CCC(=O)N1 1P00J3WS [1,0,0,1,0,0|1,0,1]=4 750 B8R1.1 NC[C@@H]1CCC(=O)N1 1P001DHC [1,0,0,1,0,0|1,0,1]=4 751 B8R1.1 NC[C@@H]1CCC(N1)=O 1P01FWPM [1,0,0,1,0,0|1,0,1]=4 752 B8R1.1 NC[C@H]1CCC(=O)N1 1P001Z9Q [1,0,0,1,0,0|1,0,1]=4 753 B8R1.1 NC[C@H]1CCC(=O)N1 1P01C9T8 [1,0,0,1,0,0|1,0,1]=4 754 B8R1.1 N[C@@H]1C[C@@H](C=C1)CO 1P001YVW [1,0,0,1,0,0|0,0,1]=3 755 B8R1.1 OCC1CCC(=O)N1 1P003ADX [1,0,0,1,0,0|1,0,1]=4 756 B8R1.1 OC[C@@H]1CCC(=O)N1 1P001ZD1 [1,0,0,1,0,0|1,0,1]=4 757 B8R1.1 OC[C@H]1CCC(=O)N1 1P003N9H [1,0,0,1,0,0|1,0,1]=4 758 B8R1.2 C=CC1CCC=CC1 1P0000N3 [1,0,0,1,0,0|2,0,0]=4 759 B8R1.2 C=CC1CCCCN1 1P01BFPL [1,0,0,1,0,0|1,0,1]=4 760 B8R1.3 CC1CCC(=O)C=C1 1P00ILT7 [1,0,0,1,0,0|1,0,0]=3 761 B8R1.3 NC1CCC(=CC1)C 1P028J5O [1,0,0,1,0,0|1,0,1]=4 762 B8R1.3 NC1CCC(=O)CC1 1P0034DA [1,0,0,1,0,0|0,0,2]=4 763 B8R1.3 NC1CCC(=O)NC1 1P000L8V [1,0,0,1,0,0|1,0,1]=4 764 B8R1.3 NC1CCC(=O)NC1 1P00AQJK [1,0,0,1,0,0|1,0,1]=4 765 B8R1.3 NC1CCC(=O)NC1 1P024TPY [1,0,0,1,0,0|1,0,1]=4 766 B8R1.3 N[C@@H]1CCC(=CC1)C 1P028FNI [1,0,0,1,0,0|1,0,1]=4 767 B8R1.3 N[C@@H]1CCC(=O)NC1 1P0001ZD [1,0,0,1,0,0|1,0,1]=4 768 B8R1.3 N[C@@H]1CCC(=O)NC1 1P027V4Z [1,0,0,1,0,0|1,0,1]=4 769 B8R1.3 N[C@@H]1CC[C@@H](C=C1)O 1P028DF9 [1,0,0,1,0,0|0,0,1]=3 770 B8R1.3 N[C@H]1CCC(=CC1)C 1P028BS5 [1,0,0,1,0,0|1,0,1]=4 771 B8R1.3 N[C@H]1CCC(=O)NC1 1P00FBRS [1,0,0,1,0,0|1,0,1]=4 772 B8R1.3 N[C@H]1CCC(=O)NC1 1P01JUG8 [1,0,0,1,0,0|1,0,1]=4 773 B8R1.3 O=C1COC(C=C1)O 1P007CTC [1,0,0,1,0,0|2,0,0]=4 774 B8R1.3 OC1CCC(C=C1)O 1P01B94O [1,0,0,1,0,0|1,0,1]=4 775 B8R1.22 NC1CCCCC=C1 1P0025SS [1,0,0,1,0,0|1,0,1]=4 776 B8R1.38 C=CC(C1CCC1)N 1P01WU5N [1,0,0,1,0,0|1,0,1]=4 777 B8R1.50 CC1CCC(=O)C1=O 1P008QG7 [1,0,0,1,0,0|2,0,0]=4 778 B8R1.50 O=C1C(N)CCN1O 1P0001Z5 [1,0,0,1,0,0|2,0,0]=4 779 B8R1.52 C=CC1(N)CCCC1 1P01FIJW [1,0,0,1,0,0|1,0,1]=4 780 B8R1.4 BrC1=CC(=O)CCC1 1P00EDPW [1,0,0,1,0,0|2,0,0]=4 781 B8R1.4 C=C1CCCC(=O)O1 1P01DUS2 [1,0,0,1,0,0|0,0,0]=2 782 B8R1.4 CC1=CC(=O)CCC1 1P000J01 [1,0,0,1,0,0|1,0,1]=4 783 B8R1.4 CC1CCCC(=O)O1 1P003VX8 [1,0,0,1,0,0|0,0,2]=4 784 B8R1.4 C[C@@H]1CCCC(=O)O1 1P00DE9U [1,0,0,1,0,0|0,0,2]=4 785 B8R1.4 ClC1=CC(=O)CCC1 1P00EDPK [1,0,0,1,0,0|2,0,0]=4 786 B8R1.4 NC1=CC(=O)CCC1 1P003JB4 [1,0,0,1,0,0|2,0,0]=4 787 B8R1.4 O=C1CCC=C(O1)C 1P00C0V1 [1,0,0,1,0,0|0,0,2]=4 788 B8R1.4 O=C1CCCC(=O)C1 1P003321 [1,0,0,1,0,0|2,0,0]=4 789 B8R1.4 O=C1CCCC(=O)N1 1P003R8K [1,0,0,1,0,0|2,0,0]=4 790 B8R1.4 O=C1CCCC(=O)O1 1P0035FI [1,0,0,1,0,0|1,0,0]=3 791 B8R1.4 O=C1COCC(=O)O1 1P003E5N [1,0,0,1,0,0|2,0,0]=4 792 B8R1.4 O=C1CSCC(=O)O1 1P003V8Y [1,0,0,1,0,0|2,0,0]=4 793 B8R1.4 OC1=CC(=O)CCC1 1P01KKE9 [1,0,0,1,0,0|2,0,0]=4 794 B8R1.4 OC1CCCC(=C)C1 1P028FEV [1,0,0,1,0,0|1,0,1]=4 795 B8R1.6 C=CCC1CC(=O)N1 1P00VS99 [1,0,0,1,0,0|1,0,0]=3 796 B8R1.7 OC(=O)C1=CCCC1 1P001OVH [1,0,0,1,0,0|0,0,2]=4 797 B8R1.7 OC(=O)C1=COCC1 1P00IKH9 [1,0,0,1,0,0|1,0,1]=4 798 B8R1.7 OC(=O)C1CC=CC1 1P003JTD [1,0,0,1,0,0|0,0,2]=4 799 B8R1.7 OC(=O)C1CCC=C1 1P002NU7 [1,0,0,1,0,0|0,0,0]=2 800 B8R1.7 OC(=O)C1CCCC1 1P003PN2 [1,0,0,1,0,0|0,0,2]=4 801 B8R1.7 OC(=O)C1CCCN1 1P003QB6 [1,0,0,1,0,0|1,0,1]=4 802 B8R1.7 OC(=O)C1CCCN1 1P019VB2 [1,0,0,1,0,0|1,0,1]=4 803 B8R1.7 OC(=O)C1CCCO1 1P001YQG [1,0,0,1,0,0|1,0,1]=4 804 B8R1.7 OC(=O)C1CCCS1 1P00ARL8 [1,0,0,1,0,0|1,0,1]=4 805 B8R1.7 OC(=O)C1CCNO1 1P01EKGI [1,0,0,1,0,0|2,0,0]=4 806 B8R1.7 OC(=O)C1CNCC1 1P003KD1 [1,0,0,1,0,0|1,0,1]=4 807 B8R1.7 OC(=O)C1CNCC1 1P00661O [1,0,0,1,0,0|1,0,1]=4 808 B8R1.7 OC(=O)C1COCC1 1P00GSP3 [1,0,0,1,0,0|1,0,1]=4 809 B8R1.7 OC(=O)C1CSCC1 1P00B6RR [1,0,0,1,0,0|1,0,1]=4 810 B8R1.7 OC(=O)C1NCC=C1 1P003IW1 [1,0,0,1,0,0|1,0,0]=3 811 B8R1.7 OC(=O)C1NCC=C1 1P01EMGG [1,0,0,1,0,0|1,0,0]=3 812 B8R1.7 OC(=O)C1OCC=C1 1P00BDV6 [1,0,0,1,0,0|1,0,0]=3 813 B8R1.7 OC(=O)C1SCC=C1 1P01GC5N [1,0,0,1,0,0|1,0,0]=3 814 B8R1.7 OC(=O)[C@@H]1CCCN1 1P0035JG [1,0,0,1,0,0|1,0,1]=4 815 B8R1.7 OC(=O)[C@@H]1CCCN1 1P005891 [1,0,0,1,0,0|1,0,1]=4 816 B8R1.7 OC(=O)[C@@H]1CCCO1 1P0032WH [1,0,0,1,0,0|1,0,1]=4 817 B8R1.7 OC(=O)[C@@H]1CNCC1 1P003CYR [1,0,0,1,0,0|1,0,1]=4 818 B8R1.7 OC(=O)[C@@H]1CNCC1 1P008UVS [1,0,0,1,0,0|1,0,1]=4 819 B8R1.7 OC(=O)[C@@H]1COCC1 1P001YHV [1,0,0,1,0,0|1,0,1]=4 820 B8R1.7 OC(=O)[C@@H]1NCC=C1 1P00E9QJ [1,0,0,1,0,0|1,0,0]=3 821 B8R1.7 OC(=O)[C@H]1CCCN1 1P00359V [1,0,0,1,0,0|1,0,1]=4 822 B8R1.7 OC(=O)[C@H]1CCCO1 1P0032US [1,0,0,1,0,0|1,0,1]=4 823 B8R1.7 OC(=O)[C@H]1CNCC1 1P003CK9 [1,0,0,1,0,0|1,0,1]=4 824 B8R1.7 OC(=O)[C@H]1CNCC1 1P008UR5 [1,0,0,1,0,0|1,0,1]=4 825 B8R1.7 OC(=O)[C@H]1COCC1 1P00FBCC [1,0,0,1,0,0|1,0,1]=4 826 B8R1.7 OC(=O)[C@H]1NCC=C1 1P002DVL [1,0,0,1,0,0|1,0,0]=3 827 B8R1.7 OC(=O)[C@H]1NCC=C1 1P003IW2 [1,0,0,1,0,0|1,0,0]=3 828 B8R1.19 C=C1CCCS1(=O)=O 1P01B5LD [1,0,0,1,0,0|1,0,1]=4 829 B8R1.20 CC1CC1CC(=O)O 1P01BBI8 [1,0,0,1,0,0|0,0,2]=4 830 B8R1.20 OC(=O)CC1CC1Br 1P02929L [1,0,0,1,0,0|1,0,1]=4 831 B8R1.20 OC(=O)C[C@@H]1C[C@@H]1F 1P0293PG [1,0,0,1,0,0|1,0,1]=4 832 B8R1.20 OC(=O)C[C@@H]1C[C@H]1F 1P027VHQ [1,0,0,1,0,0|1,0,1]=4 833 B8R1.31 CC1CCC1C(=O)O 1P0037P5 [1,0,0,1,0,0|0,0,2]=4 834 B8R1.31 CN1CCC1C(=O)O 1P01DYNI [1,0,0,1,0,0|1,0,1]=4 835 B8R1.31 CN1CC[C@@H]1C(=O)O 1P00I5CE [1,0,0,1,0,0|1,0,1]=4 836 B8R1.31 CN1CC[C@H]1C(=O)O 1P00I5CC [1,0,0,1,0,0|1,0,1]=4 837 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O 1P0023NG [1,0,0,1,0,0|1,0,1]=4 838 B8R1.31 N[C@H]1CC[C@H]1C(=O)O 1P00IL5S [1,0,0,1,0,0|1,0,1]=4 839 B8R1.31 OC(=O)C1=C(CC1)Cl 1P028NUC [1,0,0,1,0,0|1,0,1]=4 840 B8R1.31 OC(=O)C1CCC1F 1P01BAOK [1,0,0,1,0,0|1,0,1]=4 841 B8R1.31 OC(=O)[C@@H]1CC[C@@H]1F 1P0289HT [1,0,0,1,0,0|1,0,1]=4 842 B8R1.31 O[C@H]1CC[C@@H]1C(=O)O 1P01X055 [1,0,0,1,0,0|1,0,1]=4 843 B8R1.34 OC(=O)CC1CCC1 1P003PKJ [1,0,0,1,0,0|0,0,2]=4 844 B8R1.34 OC(=O)CC1CCO1 1P019GW7 [1,0,0,1,0,0|1,0,1]=4 845 B8R1.34 OC(=O)CC1CNC1 1P00HFRP [1,0,0,1,0,0|1,0,1]=4 846 B8R1.34 OC(=O)CC1CNC1 1P00IJDE [1,0,0,1,0,0|1,0,1]=4 847 B8R1.34 OC(=O)CC1COC1 1P000VTU [1,0,0,1,0,0|1,0,1]=4 848 B8R1.34 OC(=O)CC1CSC1 1P01BG1E [1,0,0,1,0,0|1,0,1]=4 849 B8R1.35 OC(=O)CCC1CC1 1P00IAHR [1,0,0,1,0,0|0,0,2]=4 850 B8R1.35 OC(=O)CCC1N=N1 1P028H2Z [1,0,0,1,0,0|2,0,0]=4 851 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O 1P024XP4 [1,0,0,1,0,0|0,0,2]=4 852 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O 1P01G7DW [1,0,0,1,0,0|0,0,0]=2 853 B8R1.43 CCC1CC1C(=O)O 1P006GY6 [1,0,0,1,0,0|0,0,2]=4 854 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O 1P01C7Q9 [1,0,0,1,0,0|0,0,2]=4 855 B8R1.43 ClCC1CC1C(=O)O 1P01JJ25 [1,0,0,1,0,0|1,0,1]=4 856 B8R1.43 ClC[C@@H]1C[C@H]1C(=O)O 1P01JVD8 [1,0,0,1,0,0|1,0,1]=4 857 B8R1.43 FCC1CC1C(=O)O 1P01JUKL [1,0,0,1,0,0|1,0,1]=4 858 B8R1.43 N#CC1CC1C(=O)O 1P00IAJA [1,0,0,1,0,0|1,0,1]=4 859 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O 1P00CLBR [1,0,0,1,0,0|1,0,1]=4 860 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O 1P00ID09 [1,0,0,1,0,0|1,0,1]=4 861 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O 1P00CORM [1,0,0,1,0,0|1,0,1]=4 862 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O 1P028TSL [1,0,0,1,0,0|1,0,1]=4 863 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O 1P028EIL [1,0,0,1,0,0|1,0,0]=3 864 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O 1P007H5X [1,0,0,1,0,0|1,0,0]=3 865 B8R1.72 CC1(O)CCCC=C1 1P00CCUM [1,0,0,1,0,0|1,0,1]=4 866 B8R1.72 O=S1(=O)CCCC=C1 1P01AC7N [1,0,0,1,0,0|1,0,1]=4 867 B8R1.23 BrC1CC(C1)C(=O)O 1P01EBTW [1,0,0,1,0,0|1,0,1]=4 868 B8R1.23 Br[C@@H]1C[C@@H](C1)C(=O)O 1P0209B2 [1,0,0,1,0,0|1,0,1]=4 869 B8R1.23 Br[C@@H]1C[C@H](C1)C(=O)O 1P01EBTD [1,0,0,1,0,0|1,0,1]=4 870 B8R1.23 CC1CC(C1)C(=O)O 1P00380T [1,0,0,1,0,0|1,0,1]=4 871 B8R1.23 CC1CC(N1)C(=O)O 1P01DZCF [1,0,0,1,0,0|0,0,1]=3 872 B8R1.23 C[C@@H]1C[C@@H](C1)C(=O)O 1P00H3P5 [1,0,0,1,0,0|1,0,1]=4 873 B8R1.23 C[C@@H]1C[C@@H](N1)C(=O)O 1P02074D [1,0,0,1,0,0|0,0,1]=3 874 B8R1.23 C[C@@H]1C[C@H](C1)C(=O)O 1P00IF9M [1,0,0,1,0,0|1,0,1]=4 875 B8R1.23 C[C@H]1C[C@@H](N1)C(=O)O 1P02074N [1,0,0,1,0,0|0,0,1]=3 876 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O 1P00PLYX [1,0,0,1,0,0|0,0,1]=3 877 B8R1.23 ClC1CC(C1)C(=O)O 1P007FK6 [1,0,0,1,0,0|1,0,1]=4 878 B8R1.23 Cl[C@@H]1C[C@H](C1)C(=O)O 1P00I7FY [1,0,0,1,0,0|1,0,1]=4 879 B8R1.23 FC1CC(C1)C(=O)O 1P009B1H [1,0,0,1,0,0|1,0,1]=4 880 B8R1.23 F[C@@H]1C[C@@H](C1)C(=O)O 1P000LL1 [1,0,0,1,0,0|1,0,1]=4 881 B8R1.23 F[C@@H]1C[C@H](C1)C(=O)O 1P000LL0 [1,0,0,1,0,0|1,0,1]=4 882 B8R1.23 IC1CC(C1)C(=O)O 1P0285A2 [1,0,0,1,0,0|1,0,1]=4 883 B8R1.23 NC1CC(C1)C(=O)C 1P027ZSS [1,0,0,1,0,0|1,0,1]=4 884 B8R1.23 NC1CC(C1)C(=O)N 1P01B2AN [1,0,0,1,0,0|1,0,1]=4 885 B8R1.23 NC1CC(C1)C(=O)O 1P000QSP [1,0,0,1,0,0|0,0,1]=3 886 B8R1.23 N[C@@H]1C[C@@H](C1)C(=O)N 1P01C5XI [1,0,0,1,0,0|1,0,1]=4 887 B8R1.23 N[C@@H]1C[C@@H](C1)C(=O)O 1P003A1D [1,0,0,1,0,0|0,0,1]=3 888 B8R1.23 N[C@@H]1C[C@@H](C1)C(=O)O 1P005YM8 [1,0,0,1,0,0|0,0,1]=3 889 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)N 1P01BV5X [1,0,0,1,0,0|1,0,1]=4 890 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O 1P005YMF [1,0,0,1,0,0|0,0,1]=3 891 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O 1P008H8O [1,0,0,1,0,0|0,0,1]=3 892 B8R1.23 O=C1CC(N1)C(=O)O 1P00H73C [1,0,0,1,0,0|1,0,1]=4 893 B8R1.23 O=C1C[C@@H](N1)C(=O)O 1P00IBK7 [1,0,0,1,0,0|1,0,1]=4 894 B8R1.23 O=C1C[C@H](N1)C(=O)O 1P001V2H [1,0,0,1,0,0|1,0,1]=4 895 B8R1.23 OC(=O)C1CC(=C)C1 1P001Q08 [1,0,0,1,0,0|1,0,1]=4 896 B8R1.23 OC1CC(C1)C(=O)O 1P0074YT [1,0,0,1,0,0|1,0,1]=4 897 B8R1.23 O[C@@H]1C[C@@H](C1)C(=O)O 1P00DGWW [1,0,0,1,0,0|1,0,1]=4 898 B8R1.23 O[C@@H]1C[C@H](C1)C(=O)O 1P000TTS [1,0,0,1,0,0|1,0,1]=4 899 B8R1.23 SC1CC(C1)C(=O)O 1P028CJZ [1,0,0,1,0,0|1,0,1]=4 900 B8R1.23 S[C@@H]1C[C@H](C1)C(=O)O 1P0284TI [1,0,0,1,0,0|1,0,1]=4 901 B8R1.51 O=C1CCC(O1)(C)C 1P007IPY [1,0,0,1,0,0|1,0,1]=4 902 B8R1.77 CC1(Br)CC1C(=O)O 1P01B290 [1,0,0,1,0,0|1,0,1]=4 903 B8R1.77 OC(=O)C1CC1(Br)Br 1P01HZIH [1,0,0,1,0,0|2,0,0]=4 904 B8R1.77 OC(=O)C1CC1(C)C 1P00371E [1,0,0,1,0,0|1,0,1]=4 905 B8R1.77 OC(=O)C1CC1(Cl)Cl 1P00D9E2 [1,0,0,1,0,0|2,0,0]=4 906 B8R1.77 OC(=O)C1CC1(F)Br 1P021KTX [1,0,0,1,0,0|2,0,0]=4 907 B8R1.77 OC(=O)C1CC1(F)Cl 1P0013A4 [1,0,0,1,0,0|2,0,0]=4 908 B8R1.77 OC(=O)C1CC1(F)F 1P003FRL [1,0,0,1,0,0|2,0,0]=4 909 B8R1.77 OC(=O)[C@@H]1CC1(Br)Br 1P0285VG [1,0,0,1,0,0|2,0,0]=4 910 B8R1.77 OC(=O)[C@@H]1CC1(F)F 1P002H9X [1,0,0,1,0,0|2,0,0]=4 911 B8R1.77 OC(=O)[C@H]1CC1(Br)Br 1P0283Q0 [1,0,0,1,0,0|2,0,0]=4 912 B8R1.77 OC(=O)[C@H]1CC1(C)C 1P001DYP [1,0,0,1,0,0|1,0,1]=4 913 B8R1.77 OC(=O)[C@H]1CC1(F)F 1P001UAI [1,0,0,1,0,0|2,0,0]=4 914 B8R1.18 O=C1CC(C(=O)N1)N 1P01C7UN [0,0,0,1,1,0|2,0,0]=4 915 B8R1.18 O=C1CC(C(=O)O1)C 1P003SL0 [0,0,0,1,1,0|2,0,0]=4 916 B8R1.18 O=C1CC(C(=O)O1)N 1P00COUN [0,0,0,1,1,0|1,0,0]=3 917 B8R1.18 O=C1C[C@@H](C(=O)N1)N 1P005ZEX [0,0,0,1,1,0|2,0,0]=4 918 B8R1.18 O=C1C[C@@H](C(=O)N1)N 1P028866 [0,0,0,1,1,0|2,0,0]=4 919 B8R1.18 O=C1C[C@@H](C(=O)O1)C 1P01BW3S [0,0,0,1,1,0|2,0,0]=4 920 B8R1.18 O=C1C[C@@H](C(=O)O1)N 1P00CLJ7 [0,0,0,1,1,0|1,0,0]=3 921 B8R1.18 O=C1C[C@H](C(=O)N1)N 1P01LIZ9 [0,0,0,1,1,0|2,0,0]=4 922 B8R1.18 O=C1C[C@H](C(=O)N1)N 1P029030 [0,0,0,1,1,0|2,0,0]=4 923 B8R1.18 O=C1C[C@H](C(=O)O1)N 1P006VIY [0,0,0,1,1,0|1,0,0]=3 924 B8R1.42 OC(=O)CC1(N)CC1 1P01A4QZ [0,0,0,1,1,0|0,0,2]=4 925 B10R1.13 CC1CCC(=CC1)C(=O)O 1P01AF3C [0,0,0,1,0,1|1,0,1]=4 926 B10R1.13 NC1CCC(=CC1)C(=O)O 1P028HMQ [0,0,0,1,0,1|0,0,1]=3 927 B10R1.13 NC1CCC(CC1)C(=O)O 1P0025VN [0,0,0,1,0,1|0,0,2]=4 928 B10R1.13 NC1CCC(CC1)C(=O)O 1P019E52 [0,0,0,1,0,1|0,0,2]=4 929 B10R1.13 N[C@@H]1CC[C@@H](CC1)C(=O)O 1P00785H [0,0,0,1,0,1|0,0,2]=4 930 B10R1.13 N[C@@H]1CC[C@H](CC1)C(=O)O 1P00366H [0,0,0,1,0,1|0,0,2]=4 931 B10R1.13 N[C@@H]1CC[C@H](CC1)C(=O)O 1P003VEE [0,0,0,1,0,1|0,0,2]=4 932 B10R1.31 C#C[C@H]1CC[C@H](N1)C(=O)O 1P027YIA [0,0,0,1,0,1|0,0,2]=4 933 B10R1.31 CCC1CCC(N1)C(=O)O 1P01C5LJ [0,0,0,1,0,1|0,0,2]=4 934 B10R1.54 CC(=O)O[C@@H]1C[C@@H](C=C1)O 1P0032S8 [0,0,0,1,0,1|2,0,0]=4 935 B10R1.54 CC(=O)O[C@@H]1C[C@H](C=C1)O 1P01QKH1 [0,0,0,1,0,1|2,0,0]=4 936 B10R1.54 CN1C[NH+](C=C1)CC(=O)O 1P006555 [0,0,0,1,0,1|2,0,0]=4 937 B10R1.54 N[C@@H]1C[C@@H](C=C1)CC(=O)O 1P028XNB [0,0,0,1,0,1|0,0,0]=2 938 B10R1.54 N[C@H]1C[C@H](C=C1)CC(=O)O 1P028XS5 [0,0,0,1,0,1|0,0,0]=2 939 B10R1.54 Nc1ccn(n1)CC(=O)O 1P0002Z3 [0,0,0,1,0,1|1,0,1]=4 940 B10R1.58 OC(=O)[C@H]1NC(=O)[C@@H](C1)F 1P00BG73 [0,1,0,1,0,0|2,0,0]=4 941 B10R1.58 O[C@@H]1C[C@@H](C[C@@H]1N)C(=O)O 1P0283FB [0,1,0,1,0,0|0,0,2]=4 942 B10R1.58 O[C@@H]1C[C@H](C[C@H]1N)C(=O)O 1P028018 [0,1,0,1,0,0|0,0,2]=4 943 B10R1.58 O[C@H]1C[C@H](C[C@H]1N)C(=O)O 1P028W6E [0,1,0,1,0,0|0,0,2]=4 944 B10R1.83 N[C@H]1C[C@H](C1(C)C)C(=O)O 1P00IHT8 [0,1,0,1,0,0|0,0,2]=4 945 B10R1.190 N[C@H](C(=O)O)C[C@H]1CC1=C 1P00ADLN [0,1,0,1,0,0|1,0,0]=3 946 B10R1.349 OC(=O)C1CC(C1)C(=O)O 1P00353W [0,1,0,1,0,0|2,0,0]=4 947 B10R1.349 OC(=O)[C@@H]1C[C@@H](C1)C(=O)O 1P007OTC [0,1,0,1,0,0|2,0,0]=4 948 B10R1.349 OC(=O)[C@@H]1C[C@H](C1)C(=O)O 1P005C5E [0,1,0,1,0,0|2,0,0]=4 949 B10R1.470 NC1CCC(C1)(C)C(=O)O 1P01ELVR [0,1,0,1,0,0|0,0,2]=4 950 B10R1.470 NC1CCC(C1)(F)C(=O)O 1P01B8NW [0,1,0,1,0,0|0,0,2]=4 951 B10R1.470 O=C1CCC(O1)(C)C(=O)O 1P01GJ0J [0,1,0,1,0,0|2,0,0]=4 952 B10R1.25 CCC1CCC(=O)OC1=O 1P01Q92K [0,1,0,1,0,0|2,0,0]=4 953 B10R1.25 CNC1CCC(=O)NC1=O 1P01FN4N [0,1,0,1,0,0|2,0,0]=4 954 B10R1.64 OC(=O)C[C@H]1CCC[C@H]1N 1P028D94 [0,1,0,1,0,0|0,0,2]=4 955 B10R1.64 OC(=O)Cn1nccc1N 1P01ELVM [0,1,0,1,0,0|1,0,1]=4 956 B10R1.64 [O-]C(=O)C[C@H]1CC=C[C@H]1O 1P0289GY [0,1,0,1,0,0|1,0,1]=4 957 B10R1.119 O=C1CCC(C(=O)N1C)N 1P01C3RD [0,1,0,1,0,0|2,0,0]=4 958 B10R1.151 COC(=O)CCC1CCN1 1P028FTF [0,1,0,1,0,0|0,0,2]=4 959 B10R1.463 COC(=O)CC1CCC1N 1P028AG9 [0,1,0,1,0,0|0,0,2]=4 960 B10R1.473 C=CC1(O)CCC(=O)CC1 1P027VQB [0,1,0,1,0,0|2,0,0]=4 961 B10R1.63 CC1(N)CCC(=O)NC1=O 1P00ICWY [0,1,0,1,0,0|2,0,0]=4 962 B10R1.63 CC1(N)CCC(=O)NC1=O 1P01KYXO [0,1,0,1,0,0|2,0,0]=4 963 B10R1.63 N=C1OC(=O)CCC1(C)C 1P0282B8 [0,1,0,1,0,0|2,0,0]=4 964 B10R1.63 O=C1OC(=O)CCC1(C)C 1P002YPI [0,1,0,1,0,0|2,0,0]=4 965 B10R1.63 O=C1OC(=O)CCC1(F)F 1P01B7E9 [0,1,0,1,0,0|2,0,0]=4 966 B10R1.113 NC1C=CC=C(C1)C(=O)O 1P00EBRR [0,1,0,1,0,0|0,0,1]=3 967 B10R1.113 NC1CC(OCC1)C(=O)O 1P01FITU [0,1,0,1,0,0|0,0,2]=4 968 B10R1.113 NC1CC(OCC1)C(=O)O 1P028ZMT [0,1,0,1,0,0|0,0,2]=4 969 B10R1.113 NC1CCCC(C1)C(=O)O 1P002RHG [0,1,0,1,0,0|0,0,2]=4 970 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O 1P00G2RU [0,1,0,1,0,0|0,0,2]=4 971 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O 1P024HFF [0,1,0,1,0,0|0,0,2]=4 972 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O 1P00CIT7 [0,1,0,1,0,0|0,0,2]=4 973 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O 1P00H24X [0,1,0,1,0,0|0,0,2]=4 974 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O 1P001X52 [0,1,0,1,0,0|0,0,2]=4 975 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O 1P00ILE8 [0,1,0,1,0,0|0,0,2]=4 976 B10R1.113 N[C@H]1C[C@@H](NCC1)C(=O)O 1P021VL8 [0,1,0,1,0,0|0,0,2]=4 977 B10R1.113 N[C@H]1C[C@H](COC1)C(=O)O 1P027WBN [0,1,0,1,0,0|0,0,2]=4 978 B10R1.113 O=C1C=CCC(C1)C(=O)O 1P006X3X [0,1,0,1,0,0|1,0,1]=4 979 B10R1.113 O=[C@]([C@H]1C[C@@H](N)CCC1)O 1P01KIMO [0,1,0,1,0,0|0,0,2]=4 980 B10R1.113 O[C@@H]1C=CC[C@@H](C1)C(=O)O 1P027V1F [0,1,0,1,0,0|1,0,0]=3 981 B10R1.113 O[C@H]1C=CC[C@H](C1)C(=O)O 1P0291JH [0,1,0,1,0,0|1,0,0]=3 982 B10R1.118 CC1CC(C)C(=O)OC1=O 1P008QFA [0,1,0,1,0,0|2,0,0]=4 983 B10R1.118 C[C@@H]1C[C@H](C)C(=O)OC1=O 1P00IMS1 [0,1,0,1,0,0|2,0,0]=4 984 B10R1.66 OC(=O)CCC1CCCN1 1P01B2AG [0,1,0,1,0,0|0,0,2]=4 985 B10R1.66 OC(=O)CCC1CNCC1 1P01A1UG [0,1,0,1,0,0|0,0,2]=4 986 B10R1.66 OC(=O)CC[C@H]1CCCN1 1P01A4MI [0,1,0,1,0,0|0,0,2]=4 987 B10R1.66 OC(=O)CCc1c[nH]cc1 1P0080G3 [0,1,0,1,0,0|0,0,1]=3 988 B10R1.66 OC(=O)CCc1c[nH]cn1 1P007EXP [0,1,0,1,0,0|0,0,2]=4 989 B10R1.66 OC(=O)CCc1c[nH]nc1 1P009A1U [0,1,0,1,0,0|1,0,1]=4 990 B10R1.66 OC(=O)CCc1c[nH]nc1 1P01C2UL [0,1,0,1,0,0|1,0,1]=4 991 B10R1.66 OC(=O)CCc1ccc[nH]1 1P00CJ7G [0,1,0,1,0,0|0,0,1]=3 992 B10R1.66 OC(=O)CCc1ccco1 1P0033XL [0,1,0,1,0,0|1,0,1]=4 993 B10R1.66 OC(=O)CCc1cccs1 1P00IB02 [0,1,0,1,0,0|1,0,1]=4 994 B10R1.66 OC(=O)CCc1ccn[nH]1 1P02896W [0,1,0,1,0,0|0,0,1]=3 995 B10R1.66 OC(=O)CCc1ccno1 1P006A1Q [0,1,0,1,0,0|0,0,2]=4 996 B10R1.66 OC(=O)CCc1ccon1 1P01AMCV [0,1,0,1,0,0|0,0,2]=4 997 B10R1.66 OC(=O)CCc1cnc[nH]1 1P00IA3B [0,1,0,1,0,0|0,0,1]=3 998 B10R1.66 OC(=O)CCc1cnco1 1P02013X [0,1,0,1,0,0|1,0,1]=4 999 B10R1.66 OC(=O)CCc1cncs1 1P00645C [0,1,0,1,0,0|1,0,1]=4 1000 B10R1.66 OC(=O)CCc1cncs1 1P01AMID [0,1,0,1,0,0|1,0,1]=4 1001 B10R1.66 OC(=O)CCc1cocc1 1P00H4YT [0,1,0,1,0,0|1,0,1]=4 1002 B10R1.66 OC(=O)CCc1cocn1 1P0292ZU [0,1,0,1,0,0|0,0,2]=4 1003 B10R1.66 OC(=O)CCc1cscc1 1P001UUQ [0,1,0,1,0,0|1,0,1]=4 1004 B10R1.66 OC(=O)CCc1cscn1 1P01923C [0,1,0,1,0,0|0,0,2]=4 1005 B10R1.66 OC(=O)CCc1ncc[nH]1 1P0026G1 [0,1,0,1,0,0|0,0,1]=3 1006 B10R1.66 OC(=O)CCc1ncc[nH]1 1P009AB6 [0,1,0,1,0,0|0,0,1]=3 1007 B10R1.66 OC(=O)CCc1ncco1 1P028AV5 [0,1,0,1,0,0|0,0,2]=4 1008 B10R1.66 OC(=O)CCc1nccs1 1P001JI3 [0,1,0,1,0,0|0,0,2]=4 1009 B10R1.66 OC(=O)CCc1nnc[nH]1 1P01E8YY [0,1,0,1,0,0|1,0,1]=4 1010 B10R1.66 OC(=O)CCn1cccc1 1P00360M [0,1,0,1,0,0|2,0,0]=4 1011 B10R1.66 OC(=O)CCn1cccn1 1P003IGD [0,1,0,1,0,0|1,0,1]=4 1012 B10R1.66 OC(=O)CCn1cccn1 1P00J1JG [0,1,0,1,0,0|1,0,1]=4 1013 B10R1.66 OC(=O)CCn1ccnn1 1P019LDQ [0,1,0,1,0,0|1,0,1]=4 1014 B10R1.66 OC(=O)CCn1ccnn1 1P01B1YR [0,1,0,1,0,0|1,0,1]=4 1015 B10R1.66 OC(=O)CCn1cncc1 1P002ENV [0,1,0,1,0,0|1,0,1]=4 1016 B10R1.66 OC(=O)CCn1cncc1 1P01AI5C [0,1,0,1,0,0|1,0,1]=4 1017 B10R1.66 OC(=O)CCn1cncn1 1P008Q3L [0,1,0,1,0,0|1,0,1]=4 1018 B10R1.66 OC(=O)COC1CC=CC1 1P028VFU [0,1,0,1,0,0|2,0,0]=4 1019 B10R1.59 CC1CC(C(=O)O1)C(=O)O 1P028IV4 [0,1,0,1,0,0|2,0,0]=4 1020 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)N 1P00J2PK [0,1,0,1,0,0|0,0,2]=4 1021 B10R1.82 OC(=O)CCC1CC(=O)C1 1P0018BL [0,1,0,1,0,0|1,0,1]=4 1022 B10R1.107 OC(=O)C[C@H]1[C@H](N)C[C@@H]1O 1P0288J1 [0,1,0,1,0,0|0,0,2]=4 1023 B10R2.308 N[C@@H]1C[C@@]2([C@H]1C2)C(=O)O 1P028U9I [0,0,0,2,0,0|0,0,2]=4 1024 B10R2.308 N[C@@H]1C[C@]2([C@@H]1C2)C(=O)O 1P028TVD [0,0,0,2,0,0|0,0,2]=4 1025 B10R2.43 O=C1OC(=O)C2CC1C2 1P0071YV [0,0,0,2,0,0|2,0,0]=4 1026 B6R0.2 BrC(=C)CC(=O)O 1P028J9X [1,0,0,0,1,0|1,0,1]=4 1027 B6R0.2 CC(=C)CC(=O)O 1P001WA5 [1,0,0,0,1,0|1,0,1]=4 1028 B6R0.2 CC(CC(=O)C)N 1P00J23J [1,0,0,0,1,0|1,0,1]=4 1029 B6R0.2 CC(CC(=O)N)N 1P01C1RK [1,0,0,0,1,0|1,0,1]=4 1030 B6R0.2 CC(CC(=O)O)Br 1P002SV2 [1,0,0,0,1,0|1,0,1]=4 1031 B6R0.2 CC(CC(=O)O)C 1P003RMG [1,0,0,0,1,0|1,0,1]=4 1032 B6R0.2 CC(CC(=O)O)Cl 1P003JRA [1,0,0,0,1,0|1,0,1]=4 1033 B6R0.2 CC(CC(=O)O)F 1P028OF4 [1,0,0,0,1,0|1,0,1]=4 1034 B6R0.2 CC(CC(=O)O)N 1P003JE2 [1,0,0,0,1,0|0,0,1]=3 1035 B6R0.2 CC(CC(=O)O)O 1P003K12 [1,0,0,0,1,0|1,0,1]=4 1036 B6R0.2 CC(CC(=O)O)S 1P002TTH [1,0,0,0,1,0|1,0,1]=4 1037 B6R0.2 C[C@@H](CC(=O)O)F 1P028OKF [1,0,0,0,1,0|1,0,1]=4 1038 B6R0.2 C[C@@H](CC(=O)O)N 1P0036AK [1,0,0,0,1,0|0,0,1]=3 1039 B6R0.2 C[C@@H](CC(=O)O)N 1P00IAVS [1,0,0,0,1,0|0,0,1]=3 1040 B6R0.2 C[C@@H](CC(=O)O)O 1P003ANQ [1,0,0,0,1,0|1,0,1]=4 1041 B6R0.2 C[C@H](CC(=O)O)N 1P003CQA [1,0,0,0,1,0|0,0,1]=3 1042 B6R0.2 C[C@H](CC(=O)O)N 1P00EB6J [1,0,0,0,1,0|0,0,1]=3 1043 B6R0.2 ClC(CC(=O)O)Cl 1P027TVM [1,0,0,0,1,0|2,0,0]=4 1044 B6R0.2 FC(CC(=O)O)F 1P001O4C [1,0,0,0,1,0|2,0,0]=4 1045 B6R0.2 IC(=C)CC(=O)O 1P028XTD [1,0,0,0,1,0|1,0,1]=4 1046 B6R0.2 NC(=O)CC(=O)O 1P002NQP [1,0,0,0,1,0|1,0,1]=4 1047 B6R0.3 CC(C(=O)O)C=C 1P00DA69 [0,0,0,0,2,0|1,0,0]=3 1048 B6R0.3 CC[C@@H](C(=O)O)N 1P001LWU [0,0,0,0,2,0|0,0,2]=4 1049 B6R0.3 CC[C@@H](C(=O)O)N 1P003REQ [0,0,0,0,2,0|0,0,2]=4 1050 B6R0.3 CC[C@H](C(=O)O)N 1P002SV0 [0,0,0,0,2,0|0,0,2]=4 1051 B6R0.3 NC(C(=O)O)C=C 1P003XPM [0,0,0,0,2,0|0,0,0]=2 1052 B6R0.3 NC(C(=O)O)CCl 1P00CA7T [0,0,0,0,2,0|1,0,1]=4 1053 B6R0.3 NC(C(=O)O)CF 1P00DGN8 [0,0,0,0,2,0|1,0,1]=4 1054 B6R0.3 NC(C(=O)O)CN 1P003943 [0,0,0,0,2,0|1,0,1]=4 1055 B6R0.3 NC(C(=O)O)CN 1P003FXC [0,0,0,0,2,0|1,0,1]=4 1056 B6R0.3 NC(C(=O)O)CS 1P0035K1 [0,0,0,0,2,0|1,0,1]=4 1057 B6R0.3 NC(C(=O)O)CS 1P003QAD [0,0,0,0,2,0|1,0,1]=4 1058 B6R0.3 NC(C(=O)O)CS 1P003QAE [0,0,0,0,2,0|1,0,1]=4 1059 B6R0.3 NC(C(=O)O)CS 1P006OTU [0,0,0,0,2,0|1,0,1]=4 1060 B6R0.3 NC[C@@H](C(=O)O)N 1P002BHJ [0,0,0,0,2,0|1,0,1]=4 1061 B6R0.3 N[C@@H](C(=O)O)C=C 1P0097X9 [0,0,0,0,2,0|0,0,0]=2 1062 B6R0.3 N[C@@H](C(=O)O)CBr 1P0285EG [0,0,0,0,2,0|1,0,1]=4 1063 B6R0.3 N[C@@H](C(=O)O)CCl 1P00C7GL [0,0,0,0,2,0|1,0,1]=4 1064 B6R0.3 N[C@@H](C(=O)O)CCl 1P00DFAR [0,0,0,0,2,0|1,0,1]=4 1065 B6R0.3 N[C@@H](C(=O)O)CF 1P0078KD [0,0,0,0,2,0|1,0,1]=4 1066 B6R0.3 N[C@@H](C(=O)O)CN 1P002FR4 [0,0,0,0,2,0|1,0,1]=4 1067 B6R0.3 N[C@@H](C(=O)O)CN 1P003422 [0,0,0,0,2,0|1,0,1]=4 1068 B6R0.3 N[C@@H](C(=O)O)CS 1P002JBZ [0,0,0,0,2,0|1,0,1]=4 1069 B6R0.3 N[C@@H](C(=O)O)CS 1P00I6LW [0,0,0,0,2,0|1,0,1]=4 1070 B6R0.3 N[C@@H](C(=O)O)CS 1P00IHHG [0,0,0,0,2,0|1,0,1]=4 1071 B6R0.3 N[C@H](C(=O)O)C=C 1P003AKV [0,0,0,0,2,0|0,0,0]=2 1072 B6R0.3 N[C@H](C(=O)O)CBr 1P028ADI [0,0,0,0,2,0|1,0,1]=4 1073 B6R0.3 N[C@H](C(=O)O)CCl 1P00344Z [0,0,0,0,2,0|1,0,1]=4 1074 B6R0.3 N[C@H](C(=O)O)CF 1P028KPH [0,0,0,0,2,0|1,0,1]=4 1075 B6R0.3 N[C@H](C(=O)O)CN 1P001FZQ [0,0,0,0,2,0|1,0,1]=4 1076 B6R0.3 N[C@H](C(=O)O)CN 1P00C7HL [0,0,0,0,2,0|1,0,1]=4 1077 B6R0.3 N[C@H](C(=O)O)CS 1P000DOJ [0,0,0,0,2,0|1,0,1]=4 1078 B6R0.3 N[C@H](C(=O)O)CS 1P0035JZ [0,0,0,0,2,0|1,0,1]=4 1079 B6R0.3 N[C@H](C(=O)O)CS 1P003RPD [0,0,0,0,2,0|1,0,1]=4 1080 B6R0.3 N[C@H](C(=O)O)C[SeH] 1P0007PW [0,0,0,0,2,0|1,0,1]=4 1081 B6R0.3 OC(=O)C(=O)C=C 1P00F11D [0,0,0,0,2,0|1,0,1]=4 1082 B6R0.3 OC(=O)C(C=C)Cl 1P01B91R [0,0,0,0,2,0|1,0,0]=3 1083 B6R0.3 OC(C(=O)O)C=C 1P00F3FZ [0,0,0,0,2,0|1,0,0]=3 1084 B6R0.3 OCC(C(=O)O)N 1P003QB8 [0,0,0,0,2,0|1,0,1]=4 1085 B6R0.3 OC[C@@H](C(=O)O)N 1P003RTZ [0,0,0,0,2,0|1,0,1]=4 1086 B6R0.3 OC[C@H](C(=O)O)N 1P00I6B9 [0,0,0,0,2,0|1,0,1]=4 1087 B6R0.3 O[13CH2][13C@@H]([13C](=O)O)N 1P01CCY3 [0,0,0,0,2,0|1,0,1]=4 1088 B10R0.55 CCC(CCCCC(=O)O)N 1P028DYY [0,0,0,0,0,2|0,0,2]=4 1089 B10R0.55 OC(=O)CCCNC(=O)C=C 1P0037KE [0,0,0,0,0,2|1,0,1]=4