0 B7R0.4 BrCCCCC(=O)C 1P0007J6 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 BrCCCCC(=O)Cl 1P003N20 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 BrCCCCC(=O)O 1P002J3W [0,0,0,0,0,0|1,0,2]=3 3 B7R0.4 BrCCCCC(=O)[O-] 1P00ERAQ [0,0,0,0,0,0|1,0,3]=4 4 B7R0.4 BrCCOCC(=O)O 1P00HD6T [0,0,0,0,0,0|2,0,1]=3 5 B7R0.4 C#CCCCC(=O)O 1P0034QU [0,0,0,0,0,0|0,0,4]=4 6 B7R0.4 C#CCNCC(=O)O 1P01B5L0 [0,0,0,0,0,0|1,0,3]=4 7 B7R0.4 C#CCOCC(=O)O 1P01FGBM [0,0,0,0,0,0|1,0,3]=4 8 B7R0.4 C#CCSCC(=O)O 1P019QIE [0,0,0,0,0,0|1,0,3]=4 9 B7R0.4 C=CCCCC(=O)O 1P001Q42 [0,0,0,0,0,0|0,0,4]=4 10 B7R0.4 C=CCNCC(=O)O 1P00C070 [0,0,0,0,0,0|1,0,3]=4 11 B7R0.4 C=CCOCC(=O)O 1P00OS4H [0,0,0,0,0,0|1,0,3]=4 12 B7R0.4 C=CCSCC(=O)O 1P002AX8 [0,0,0,0,0,0|1,0,3]=4 13 B7R0.4 CC#CCCC(=O)O 1P00CIJW [0,0,0,0,0,0|0,0,4]=4 14 B7R0.4 CC(=O)NCCCBr 1P019XXZ [0,0,0,0,0,0|3,0,1]=4 15 B7R0.4 CC(=O)NCCCCl 1P001DGW [0,0,0,0,0,0|3,0,1]=4 16 B7R0.4 CC(=O)NCCCN 1P00CJ9K [0,0,0,0,0,0|3,0,1]=4 17 B7R0.4 CC(=O)NCCCN 1P00DL1J [0,0,0,0,0,0|3,0,1]=4 18 B7R0.4 CC(=O)NCCCO 1P009RY1 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.4 CC(=O)OCCCCl 1P003JS4 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.4 CC(=O)OCCCI 1P00EKA4 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.4 CC(=O)SCCCCl 1P000UI6 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.4 CC(=O)SCCCO 1P01DU4A [0,0,0,0,0,0|3,0,1]=4 23 B7R0.4 CCC#CCC(=O)O 1P00269H [0,0,0,0,0,0|0,0,3]=3 24 B7R0.4 CCCC#CC(=O)O 1P003HTY [0,0,0,0,0,0|0,0,2]=2 25 B7R0.4 CCCC=CC(=O)C 1P003JZ4 [0,0,0,0,0,0|1,0,0]=1 26 B7R0.4 CCCCCB(O)O 1P003TRG [0,0,0,0,0,0|1,0,3]=4 27 B7R0.4 CCCCCC(=N)N 1P00J1UF [0,0,0,0,0,0|2,0,2]=4 28 B7R0.4 CCCCCC(=N)N 1P028M17 [0,0,0,0,0,0|2,0,2]=4 29 B7R0.4 CCCCCC(=O)C 1P0033SO [0,0,0,0,0,0|1,0,2]=3 30 B7R0.4 CCCCCC(=O)Cl 1P003RDM [0,0,0,0,0,0|1,0,2]=3 31 B7R0.4 CCCCCC(=O)N 1P003RDF [0,0,0,0,0,0|1,0,2]=3 32 B7R0.4 CCCCCC(=O)O 1P0035GM [0,0,0,0,0,0|0,0,2]=2 33 B7R0.4 CCCCCC(=O)[O-] 1P0002NZ [0,0,0,0,0,0|0,0,3]=3 34 B7R0.4 CCCCCC(=S)N 1P001WHQ [0,0,0,0,0,0|1,1,2]=4 35 B7R0.4 CCCCCC(O)C 1P00DX8F [0,0,0,0,0,0|1,0,3]=4 36 B7R0.4 CCCCC[C@@H](O)C 1P003CX9 [0,0,0,0,0,0|1,0,3]=4 37 B7R0.4 CCCCC[C@H](O)C 1P003CKJ [0,0,0,0,0,0|1,0,3]=4 38 B7R0.4 CCCCC[N+](=O)[O-] 1P00EG5W [0,0,0,0,0,0|1,0,3]=4 39 B7R0.4 CCCCNC(=N)N 1P01BC8L [0,0,0,0,0,0|3,0,1]=4 40 B7R0.4 CCCCNC(=O)C 1P007VII [0,0,0,0,0,0|2,0,1]=3 41 B7R0.4 CCCCNC(=O)Cl 1P00D7IO [0,0,0,0,0,0|2,0,1]=3 42 B7R0.4 CCCCNC(=O)N 1P0035TZ [0,0,0,0,0,0|2,0,1]=3 43 B7R0.4 CCCCNC(=S)N 1P001NWF [0,0,0,0,0,0|2,1,1]=4 44 B7R0.4 CCCCOC(=O)C 1P000KEE [0,0,0,0,0,0|2,0,1]=3 45 B7R0.4 CCCCOC(=O)N 1P003TBD [0,0,0,0,0,0|2,0,1]=3 46 B7R0.4 CCCCOC(=S)S 1P003UCL [0,0,0,0,0,0|1,2,1]=4 47 B7R0.4 CCCCSC(=O)C 1P003UQS [0,0,0,0,0,0|2,0,1]=3 48 B7R0.4 CCCCSC(=O)Cl 1P001A84 [0,0,0,0,0,0|2,0,1]=3 49 B7R0.4 CCCNCC(=O)N 1P01AM1O [0,0,0,0,0,0|2,0,1]=3 50 B7R0.4 CCCNCC(=O)O 1P019WR9 [0,0,0,0,0,0|1,0,1]=2 51 B7R0.4 CCCOCC(=O)O 1P00DDPU [0,0,0,0,0,0|1,0,1]=2 52 B7R0.4 CCCOCC(O)C 1P001PJO [0,0,0,0,0,0|2,0,2]=4 53 B7R0.4 CCCSCC(=O)C 1P01CANS [0,0,0,0,0,0|2,0,1]=3 54 B7R0.4 CCCSCC(=O)O 1P002AXA [0,0,0,0,0,0|1,0,1]=2 55 B7R0.4 CCC\C=C\C(=O)O 1P00HTPU [0,0,0,0,0,0|0,0,0]=0 56 B7R0.4 CCNCCC(=O)N 1P003IOR [0,0,0,0,0,0|2,0,2]=4 57 B7R0.4 CCNCCC(=O)O 1P019WSK [0,0,0,0,0,0|1,0,2]=3 58 B7R0.4 CCOC=CC(=O)Cl 1P01A0FZ [0,0,0,0,0,0|2,0,0]=2 59 B7R0.4 CCOC=CC(=O)O 1P003AAM [0,0,0,0,0,0|1,0,0]=1 60 B7R0.4 CCOCC=C(C)C 1P007Q3A [0,0,0,0,0,0|3,0,1]=4 61 B7R0.4 CCOCCC(=O)O 1P003JUP [0,0,0,0,0,0|1,0,2]=3 62 B7R0.4 CCO\C=C\C(=O)Cl 1P00IBEN [0,0,0,0,0,0|2,0,0]=2 63 B7R0.4 CCO\C=C\C(=O)O 1P001ERC [0,0,0,0,0,0|1,0,0]=1 64 B7R0.4 CCSCCC(=O)Cl 1P0286NR [0,0,0,0,0,0|2,0,2]=4 65 B7R0.4 CCSCCC(=O)O 1P00FDIY [0,0,0,0,0,0|1,0,2]=3 66 B7R0.4 CC\C=C/CC(=O)O 1P0025TN [0,0,0,0,0,0|0,0,2]=2 67 B7R0.4 CC\C=C\CC(=O)O 1P001Q45 [0,0,0,0,0,0|0,0,2]=2 68 B7R0.4 CNCC#CC(=O)O 1P01DRX9 [0,0,0,0,0,0|1,0,2]=3 69 B7R0.4 CNCCC=C(Cl)Cl 1P028X8M [0,0,0,0,0,0|3,0,1]=4 70 B7R0.4 CNCCC=C(F)F 1P028R9R [0,0,0,0,0,0|3,0,1]=4 71 B7R0.4 CNCCCC(=O)O 1P0034AB [0,0,0,0,0,0|1,0,2]=3 72 B7R0.4 CNCCCC(=O)O 1P007DUH [0,0,0,0,0,0|1,0,2]=3 73 B7R0.4 CNCCNC(=O)C 1P01A2SE [0,0,0,0,0,0|3,0,1]=4 74 B7R0.4 CNCCNC(=O)C 1P01AF4E [0,0,0,0,0,0|3,0,1]=4 75 B7R0.4 CNC\C=C\C(=O)O 1P027WD3 [0,0,0,0,0,0|1,0,0]=1 76 B7R0.4 COCC#CC(=O)O 1P006X1E [0,0,0,0,0,0|1,0,2]=3 77 B7R0.4 COCC=CC(=O)O 1P01DNM5 [0,0,0,0,0,0|1,0,0]=1 78 B7R0.4 COCCCC(=O)C 1P00B6HE [0,0,0,0,0,0|2,0,2]=4 79 B7R0.4 COCCCC(=O)N 1P027LNZ [0,0,0,0,0,0|2,0,2]=4 80 B7R0.4 COCCCC(=O)O 1P002VN5 [0,0,0,0,0,0|1,0,2]=3 81 B7R0.4 COCCNC(=O)N 1P00C2MD [0,0,0,0,0,0|3,0,1]=4 82 B7R0.4 COCCOC(=O)Cl 1P003I0T [0,0,0,0,0,0|3,0,1]=4 83 B7R0.4 COC\C=C\C(=O)O 1P00EFQT [0,0,0,0,0,0|1,0,0]=1 84 B7R0.4 CSCC=CC(=O)O 1P028A6U [0,0,0,0,0,0|1,0,0]=1 85 B7R0.4 CSCCCC(=O)Cl 1P0286K0 [0,0,0,0,0,0|2,0,2]=4 86 B7R0.4 CSCCCC(=O)N 1P028VPN [0,0,0,0,0,0|2,0,2]=4 87 B7R0.4 CSCCCC(=O)O 1P00MDZI [0,0,0,0,0,0|1,0,2]=3 88 B7R0.4 CSCCNC(=O)N 1P005LMJ [0,0,0,0,0,0|3,0,1]=4 89 B7R0.4 CSSCCC(=O)O 1P0018IF [0,0,0,0,0,0|2,0,2]=4 90 B7R0.4 C\C=C/C=C/C(=O)O 1P0030BP [0,0,0,0,0,0|0,0,2]=2 91 B7R0.4 C\C=C\C=C\C(=O)C 1P003GC2 [0,0,0,0,0,0|1,0,2]=3 92 B7R0.4 C\C=C\C=C\C(=O)Cl 1P002SB9 [0,0,0,0,0,0|1,0,2]=3 93 B7R0.4 C\C=C\C=C\C(=O)O 1P003UVD [0,0,0,0,0,0|0,0,2]=2 94 B7R0.4 C\C=C\C=C\C(=O)[O-] 1P002PCF [0,0,0,0,0,0|0,0,3]=3 95 B7R0.4 C\C=C\C=C\C(=O)[O-] 1P003UUR [0,0,0,0,0,0|0,0,3]=3 96 B7R0.4 C\C=C\C=C\C(=O)[O-] 1P005GWB [0,0,0,0,0,0|0,0,3]=3 97 B7R0.4 ClCCCCC(=O)C 1P0007J5 [0,0,0,0,0,0|2,0,2]=4 98 B7R0.4 ClCCCCC(=O)Cl 1P001PXW [0,0,0,0,0,0|2,0,2]=4 99 B7R0.4 ClCCCCC(=O)N 1P019Y9G [0,0,0,0,0,0|2,0,2]=4 100 B7R0.4 ClCCCCC(=O)O 1P0034Q2 [0,0,0,0,0,0|1,0,2]=3 101 B7R0.4 ClCCCOC(=O)Cl 1P0037L1 [0,0,0,0,0,0|3,0,1]=4 102 B7R0.4 ClCCOCC(=O)Cl 1P00C792 [0,0,0,0,0,0|3,0,1]=4 103 B7R0.4 ClCCOCC(=O)N 1P00C72Z [0,0,0,0,0,0|3,0,1]=4 104 B7R0.4 ClCCOCC(=O)O 1P001LKW [0,0,0,0,0,0|2,0,1]=3 105 B7R0.4 ClCCSCC(=O)O 1P01I29B [0,0,0,0,0,0|2,0,1]=3 106 B7R0.4 FCCCCC(=O)[O-] 1P02875F [0,0,0,0,0,0|1,0,3]=4 107 B7R0.4 FCCCOC(=O)Cl 1P01C2QS [0,0,0,0,0,0|3,0,1]=4 108 B7R0.4 FCCOCC(=O)O 1P028UIA [0,0,0,0,0,0|2,0,1]=3 109 B7R0.4 FCCSCC(=O)C 1P01B2Y7 [0,0,0,0,0,0|3,0,1]=4 110 B7R0.4 ICCCCC(=O)O 1P027L56 [0,0,0,0,0,0|1,0,2]=3 111 B7R0.4 N#CCCCC(=O)O 1P0076GP [0,0,0,0,0,0|1,0,3]=4 112 B7R0.4 N#CCSCC(=O)O 1P00DEFL [0,0,0,0,0,0|2,0,2]=4 113 B7R0.4 NC(=O)NCCCO 1P01AJ40 [0,0,0,0,0,0|3,0,1]=4 114 B7R0.4 NCCC#CC(=O)O 1P024H4A [0,0,0,0,0,0|1,0,2]=3 115 B7R0.4 NCCCCC(=O)N 1P01A4SH [0,0,0,0,0,0|2,0,2]=4 116 B7R0.4 NCCCCC(=O)O 1P00390H [0,0,0,0,0,0|1,0,2]=3 117 B7R0.4 NCCCCC(=O)O 1P003MVH [0,0,0,0,0,0|1,0,2]=3 118 B7R0.4 NCCCCC(=O)O 1P00HZV1 [0,0,0,0,0,0|1,0,2]=3 119 B7R0.4 NCCCCC(=O)O 1P01FNTV [0,0,0,0,0,0|1,0,2]=3 120 B7R0.4 NCCCNC(=O)N 1P01A01C [0,0,0,0,0,0|3,0,1]=4 121 B7R0.4 NCCCNC(=O)N 1P028XY4 [0,0,0,0,0,0|3,0,1]=4 122 B7R0.4 NCCCOC(=O)N 1P028PLU [0,0,0,0,0,0|3,0,1]=4 123 B7R0.4 NCCNCC(=O)O 1P003SPC [0,0,0,0,0,0|2,0,1]=3 124 B7R0.4 NCCNCC(=O)O 1P01DWQH [0,0,0,0,0,0|2,0,1]=3 125 B7R0.4 NCCOCC(=O)N 1P01A0II [0,0,0,0,0,0|3,0,1]=4 126 B7R0.4 NCCOCC(=O)O 1P01A76U [0,0,0,0,0,0|2,0,1]=3 127 B7R0.4 NCCSCC(=O)O 1P00VUW5 [0,0,0,0,0,0|2,0,1]=3 128 B7R0.4 NOCCCC(=O)O 1P0032I9 [0,0,0,0,0,0|2,0,2]=4 129 B7R0.4 O=C(N)CCNCC 1P01KEQK [0,0,0,0,0,0|2,0,2]=4 130 B7R0.4 O=CCCCC(=O)O 1P00EKL9 [0,0,0,0,0,0|1,0,3]=4 131 B7R0.4 OC(=O)CC=CCS 1P019UIY [0,0,0,0,0,0|1,0,2]=3 132 B7R0.4 OC(=O)C\C=C\C=C 1P01BSMX [0,0,0,0,0,0|0,0,4]=4 133 B7R0.4 OCCCCC(=O)C 1P00BGAI [0,0,0,0,0,0|2,0,2]=4 134 B7R0.4 OCCCCC(=O)N 1P002ZKN [0,0,0,0,0,0|2,0,2]=4 135 B7R0.4 OCCCCC(=O)[O-] 1P003ALZ [0,0,0,0,0,0|1,0,3]=4 136 B7R0.4 OCCCCC(=O)[O-] 1P01AA46 [0,0,0,0,0,0|1,0,3]=4 137 B7R0.4 OCCNCC(=O)O 1P00EFJ5 [0,0,0,0,0,0|2,0,1]=3 138 B7R0.4 OCCOCC(=O)N 1P000KEF [0,0,0,0,0,0|3,0,1]=4 139 B7R0.4 OCCOCC(=O)O 1P0080QG [0,0,0,0,0,0|2,0,1]=3 140 B7R0.4 OCCOCC(=O)[O-] 1P001I37 [0,0,0,0,0,0|2,0,2]=4 141 B7R0.4 SCCCCC(=O)O 1P002ZTK [0,0,0,0,0,0|1,0,2]=3 142 B7R0.4 [O-][N+](=O)NCCCC 1P01FG1U [0,0,0,0,0,0|2,0,2]=4 143 B6R0.4 BrCCC=C(C)C 1P0034OC [1,0,0,0,0,0|3,0,0]=4 144 B6R0.4 BrCCC=C(F)F 1P001FOO [1,0,0,0,0,0|3,0,0]=4 145 B6R0.4 BrCCCC(=O)C 1P003N1I [1,0,0,0,0,0|2,0,1]=4 146 B6R0.4 BrCCCC(=O)Cl 1P0034F2 [1,0,0,0,0,0|2,0,1]=4 147 B6R0.4 BrCCCC(=O)O 1P002SV1 [1,0,0,0,0,0|1,0,1]=3 148 B6R0.4 BrC\C=C\C(=O)O 1P001C9M [1,0,0,0,0,0|1,0,0]=2 149 B6R0.4 C#CCCC(=O)O 1P0036LK [1,0,0,0,0,0|0,0,3]=4 150 B6R0.4 C=CC=CC(=O)O 1P00IBIF [1,0,0,0,0,0|0,0,2]=3 151 B6R0.4 C=CCCC(=O)O 1P0037ZD [1,0,0,0,0,0|0,0,3]=4 152 B6R0.4 C=C\C=C/C(=O)O 1P01DEBA [1,0,0,0,0,0|0,0,2]=3 153 B6R0.4 C=C\C=C\C(=O)O 1P0070UZ [1,0,0,0,0,0|0,0,2]=3 154 B6R0.4 CC(=O)NCCCl 1P008R49 [1,0,0,0,0,0|3,0,0]=4 155 B6R0.4 CC(=O)NCCN 1P0001ES [1,0,0,0,0,0|3,0,0]=4 156 B6R0.4 CC(=O)NCCO 1P003SQ9 [1,0,0,0,0,0|3,0,0]=4 157 B6R0.4 CC(=O)NCCS 1P000PGX [1,0,0,0,0,0|3,0,0]=4 158 B6R0.4 CC(=O)OCCBr 1P0033N2 [1,0,0,0,0,0|3,0,0]=4 159 B6R0.4 CC(=O)OCCCl 1P003O37 [1,0,0,0,0,0|3,0,0]=4 160 B6R0.4 CC(=O)OCCN 1P01BHMJ [1,0,0,0,0,0|3,0,0]=4 161 B6R0.4 CC(=O)OCCO 1P003BP4 [1,0,0,0,0,0|3,0,0]=4 162 B6R0.4 CC(=O)SCCBr 1P01C2AP [1,0,0,0,0,0|3,0,0]=4 163 B6R0.4 CC(=O)SCCN 1P0021WX [1,0,0,0,0,0|3,0,0]=4 164 B6R0.4 CCC#CC(=O)C 1P003JZH [1,0,0,0,0,0|1,0,2]=4 165 B6R0.4 CCC#CC(=O)O 1P003IAY [1,0,0,0,0,0|0,0,2]=3 166 B6R0.4 CCCC=C(C)C 1P003I2I [1,0,0,0,0,0|2,0,0]=3 167 B6R0.4 CCCCB(O)O 1P00351E [1,0,0,0,0,0|1,0,2]=4 168 B6R0.4 CCCCC(=C)C 1P003I1X [1,0,0,0,0,0|2,0,1]=4 169 B6R0.4 CCCCC(=N)N 1P0024GH [1,0,0,0,0,0|2,0,1]=4 170 B6R0.4 CCCCC(=N)N 1P008RZF [1,0,0,0,0,0|2,0,1]=4 171 B6R0.4 CCCCC(=O)Br 1P002HYG [1,0,0,0,0,0|1,0,1]=3 172 B6R0.4 CCCCC(=O)Cl 1P003698 [1,0,0,0,0,0|1,0,1]=3 173 B6R0.4 CCCCC(=O)N 1P0035X7 [1,0,0,0,0,0|1,0,1]=3 174 B6R0.4 CCCCC(=O)O 1P003696 [1,0,0,0,0,0|0,0,1]=2 175 B6R0.4 CCCCC(=O)[O-] 1P003697 [1,0,0,0,0,0|0,0,2]=3 176 B6R0.4 CCCCC(=S)N 1P001WK5 [1,0,0,0,0,0|1,1,1]=4 177 B6R0.4 CCCCC(O)C 1P003HTP [1,0,0,0,0,0|1,0,2]=4 178 B6R0.4 CCCCS(=O)Cl 1P0070TR [1,0,0,0,0,0|2,0,1]=4 179 B6R0.4 CCCCS(=O)[O-] 1P01BCHF [1,0,0,0,0,0|1,0,2]=4 180 B6R0.4 CCCC[C@@H](O)C 1P003CXC [1,0,0,0,0,0|1,0,2]=4 181 B6R0.4 CCCC[C@H](O)C 1P002U47 [1,0,0,0,0,0|1,0,2]=4 182 B6R0.4 CCCC[N+](=O)[O-] 1P003F12 [1,0,0,0,0,0|1,0,2]=4 183 B6R0.4 CCCC[Sn](=O)O 1P003P30 [1,0,0,0,0,0|1,0,1]=3 184 B6R0.4 CCCNC(=N)N 1P019ZHR [1,0,0,0,0,0|3,0,0]=4 185 B6R0.4 CCCNC(=O)C 1P003SVI [1,0,0,0,0,0|2,0,0]=3 186 B6R0.4 CCCNC(=O)Cl 1P00D7IN [1,0,0,0,0,0|2,0,0]=3 187 B6R0.4 CCCNC(=O)N 1P003TSP [1,0,0,0,0,0|2,0,0]=3 188 B6R0.4 CCCNC(=S)N 1P003SVK [1,0,0,0,0,0|2,1,0]=4 189 B6R0.4 CCCOC(=O)F 1P01B7MD [1,0,0,0,0,0|2,0,0]=3 190 B6R0.4 CCCOC(=O)N 1P00EB3O [1,0,0,0,0,0|2,0,0]=3 191 B6R0.4 CCCSC(=O)C 1P002MLH [1,0,0,0,0,0|2,0,0]=3 192 B6R0.4 CCNCC(=O)C 1P01AMEX [1,0,0,0,0,0|2,0,1]=4 193 B6R0.4 CCNCC(=O)N 1P01BDEX [1,0,0,0,0,0|2,0,1]=4 194 B6R0.4 CCNCC(=O)O 1P003TH0 [1,0,0,0,0,0|1,0,1]=3 195 B6R0.4 CCNCC(=O)O 1P00DUFI [1,0,0,0,0,0|1,0,1]=3 196 B6R0.4 CCOCC(=O)C 1P001LKY [1,0,0,0,0,0|2,0,1]=4 197 B6R0.4 CCOCC(=O)Cl 1P001D7O [1,0,0,0,0,0|2,0,1]=4 198 B6R0.4 CCOCC(=O)O 1P0033R4 [1,0,0,0,0,0|1,0,1]=3 199 B6R0.4 CCONC(=O)C 1P0284GY [1,0,0,0,0,0|3,0,0]=4 200 B6R0.4 CCSCC(=O)C 1P003CHU [1,0,0,0,0,0|2,0,1]=4 201 B6R0.4 CCSCC(=O)O 1P003BF5 [1,0,0,0,0,0|1,0,1]=3 202 B6R0.4 CC\C=C/C(=O)O 1P00B62Y [1,0,0,0,0,0|0,0,0]=1 203 B6R0.4 CC\C=C\C(=O)Cl 1P00CTFB [1,0,0,0,0,0|1,0,0]=2 204 B6R0.4 CC\C=C\C(=O)O 1P001C9L [1,0,0,0,0,0|0,0,0]=1 205 B6R0.4 CC\C=C\[N+](=O)[O-] 1P00CEU0 [1,0,0,0,0,0|1,0,1]=3 206 B6R0.4 CNCCC(=O)C 1P01A3QD [1,0,0,0,0,0|2,0,1]=4 207 B6R0.4 CNCCC(=O)N 1P003IPF [1,0,0,0,0,0|2,0,1]=4 208 B6R0.4 CNCCC(=O)N 1P00J2D0 [1,0,0,0,0,0|2,0,1]=4 209 B6R0.4 CNCCC(=O)O 1P003IPE [1,0,0,0,0,0|1,0,1]=3 210 B6R0.4 CNCCC(=O)O 1P00IBZR [1,0,0,0,0,0|1,0,1]=3 211 B6R0.4 COC=CC(=O)C 1P00DEQI [1,0,0,0,0,0|2,0,0]=3 212 B6R0.4 COC=CC(=O)O 1P01KAIU [1,0,0,0,0,0|1,0,0]=2 213 B6R0.4 COCCC(=O)C 1P005IHL [1,0,0,0,0,0|2,0,1]=4 214 B6R0.4 COCCC(=O)Cl 1P0072PJ [1,0,0,0,0,0|2,0,1]=4 215 B6R0.4 COCCC(=O)N 1P007GOX [1,0,0,0,0,0|2,0,1]=4 216 B6R0.4 COCCC(=O)O 1P003K4N [1,0,0,0,0,0|1,0,1]=3 217 B6R0.4 COCOC(=O)C 1P00DMRV [1,0,0,0,0,0|3,0,0]=4 218 B6R0.4 CON=CC(=O)O 1P008EGN [1,0,0,0,0,0|2,0,0]=3 219 B6R0.4 CONCC(=O)O 1P028RHG [1,0,0,0,0,0|2,0,1]=4 220 B6R0.4 CO\C=C\C(=O)C 1P00366M [1,0,0,0,0,0|2,0,0]=3 221 B6R0.4 CO\C=C\C(=O)O 1P01J5LZ [1,0,0,0,0,0|1,0,0]=2 222 B6R0.4 CSCCC(=O)C 1P003M9K [1,0,0,0,0,0|2,0,1]=4 223 B6R0.4 CSCCC(=O)Cl 1P003IQ2 [1,0,0,0,0,0|2,0,1]=4 224 B6R0.4 CSCCC(=O)N 1P006Y1B [1,0,0,0,0,0|2,0,1]=4 225 B6R0.4 CSCOC(=O)C 1P001VB8 [1,0,0,0,0,0|3,0,0]=4 226 B6R0.4 CSSCC(=O)O 1P01A6D5 [1,0,0,0,0,0|2,0,1]=4 227 B6R0.4 C\C=C\CC(=O)O 1P001WA4 [1,0,0,0,0,0|0,0,2]=3 228 B6R0.4 ClC(=O)OCCBr 1P006YLF [1,0,0,0,0,0|3,0,0]=4 229 B6R0.4 ClCC#CC(=O)O 1P0011O4 [1,0,0,0,0,0|1,0,2]=4 230 B6R0.4 ClCC=CC(=O)Cl 1P002PYN [1,0,0,0,0,0|2,0,0]=3 231 B6R0.4 ClCC=CC(=O)O 1P001T1M [1,0,0,0,0,0|1,0,0]=2 232 B6R0.4 ClCCCC(=O)C 1P0034PM [1,0,0,0,0,0|2,0,1]=4 233 B6R0.4 ClCCCC(=O)Cl 1P0034GN [1,0,0,0,0,0|2,0,1]=4 234 B6R0.4 ClCCCC(=O)N 1P00C2BS [1,0,0,0,0,0|2,0,1]=4 235 B6R0.4 ClCCCC(=O)O 1P003LNQ [1,0,0,0,0,0|1,0,1]=3 236 B6R0.4 ClCCOC(=O)Cl 1P003HIX [1,0,0,0,0,0|3,0,0]=4 237 B6R0.4 ClC\C=C\B(O)O 1P003C8N [1,0,0,0,0,0|2,0,1]=4 238 B6R0.4 ClC\C=C\C(=O)O 1P01DL21 [1,0,0,0,0,0|1,0,0]=2 239 B6R0.4 FCCCC(=O)O 1P00DWFR [1,0,0,0,0,0|1,0,1]=3 240 B6R0.4 FCCOC(=O)Cl 1P003HSJ [1,0,0,0,0,0|3,0,0]=4 241 B6R0.4 ICCCC(=O)C 1P01I085 [1,0,0,0,0,0|2,0,1]=4 242 B6R0.4 ICCCC(=O)O 1P003M1J [1,0,0,0,0,0|1,0,1]=3 243 B6R0.4 N#CCCC(=O)O 1P001SGB [1,0,0,0,0,0|1,0,2]=4 244 B6R0.4 N#C\C=C\C(=O)O 1P024H2K [1,0,0,0,0,0|1,0,1]=3 245 B6R0.4 NC(=O)NCCCl 1P003HJ6 [1,0,0,0,0,0|3,0,0]=4 246 B6R0.4 NC(=O)NCCF 1P001ALC [1,0,0,0,0,0|3,0,0]=4 247 B6R0.4 NC(=O)OCCCl 1P002LSQ [1,0,0,0,0,0|3,0,0]=4 248 B6R0.4 NC(=O)OCCO 1P0033TG [1,0,0,0,0,0|3,0,0]=4 249 B6R0.4 NCC#CC(=O)O 1P01AFUK [1,0,0,0,0,0|1,0,2]=4 250 B6R0.4 NCC=CC(=O)O 1P01BG7C [1,0,0,0,0,0|1,0,0]=2 251 B6R0.4 NCCC=C(C)C 1P01BDB7 [1,0,0,0,0,0|3,0,0]=4 252 B6R0.4 NCCC=C(Cl)Cl 1P028VZC [1,0,0,0,0,0|3,0,0]=4 253 B6R0.4 NCCC=C(F)F 1P0293PF [1,0,0,0,0,0|3,0,0]=4 254 B6R0.4 NCCCC(=O)N 1P000UR1 [1,0,0,0,0,0|2,0,1]=4 255 B6R0.4 NCCCC(=O)O 1P003L7U [1,0,0,0,0,0|1,0,1]=3 256 B6R0.4 NCCCS(=O)O 1P007O4D [1,0,0,0,0,0|2,0,1]=4 257 B6R0.4 NCCNC(=O)N 1P00G2PY [1,0,0,0,0,0|3,0,0]=4 258 B6R0.4 NCCNC(=O)N 1P01B2YB [1,0,0,0,0,0|3,0,0]=4 259 B6R0.4 NCCOC(=O)N 1P01A50O [1,0,0,0,0,0|3,0,0]=4 260 B6R0.4 NC\C=C\C(=O)N 1P028GOU [1,0,0,0,0,0|2,0,0]=3 261 B6R0.4 NC\C=C\C(=O)O 1P00IMT6 [1,0,0,0,0,0|1,0,0]=2 262 B6R0.4 NOCCC(=O)O 1P0037L4 [1,0,0,0,0,0|2,0,1]=4 263 B6R0.4 O=CCCC(=O)O 1P003UX2 [1,0,0,0,0,0|1,0,2]=4 264 B6R0.4 OC(=O)CC=C=C 1P01HNC6 [1,0,0,0,0,0|0,0,3]=4 265 B6R0.4 OC(=O)C\C=C\Br 1P028E18 [1,0,0,0,0,0|1,0,2]=4 266 B6R0.4 OCC#CC(=O)O 1P00FEG4 [1,0,0,0,0,0|1,0,2]=4 267 B6R0.4 OCC=CC(=O)[O-] 1P01C4RI [1,0,0,0,0,0|1,0,1]=3 268 B6R0.4 OCCC=C(F)F 1P028LTJ [1,0,0,0,0,0|3,0,0]=4 269 B6R0.4 OCCCC(=O)C 1P0034QX [1,0,0,0,0,0|2,0,1]=4 270 B6R0.4 OCCCC(=O)N 1P006EUD [1,0,0,0,0,0|2,0,1]=4 271 B6R0.4 OC\C=C\C(=O)O 1P002P4F [1,0,0,0,0,0|1,0,0]=2 272 B6R0.4 SCCCC(=O)O 1P000VMF [1,0,0,0,0,0|1,0,1]=3 273 B6R0.4 [S-]C(=S)OCCC 1P003TSQ [1,0,0,0,0,0|1,2,0]=4 274 B6R0.6 BrCCCCC=O 1P000IND [1,0,0,0,0,0|1,0,2]=4 275 B6R0.6 CC=C=CCCN 1P028E11 [1,0,0,0,0,0|2,0,1]=4 276 B6R0.6 CC=CC=CCO 1P003VBC [1,0,0,0,0,0|0,0,3]=4 277 B6R0.6 CC=CCCCO 1P00EG91 [1,0,0,0,0,0|2,0,1]=4 278 B6R0.6 CCCC#CCO 1P003RBZ [1,0,0,0,0,0|0,0,3]=4 279 B6R0.6 CCCC=CC=O 1P003VD0 [1,0,0,0,0,0|0,0,0]=1 280 B6R0.6 CCCCCC=C 1P003EUA [1,0,0,0,0,0|1,0,2]=4 281 B6R0.6 CCCCCC=O 1P0033AJ [1,0,0,0,0,0|0,0,2]=3 282 B6R0.6 CCCCCCO 1P003RDW [1,0,0,0,0,0|0,0,3]=4 283 B6R0.6 CCCCN=C=O 1P0035IG [1,0,0,0,0,0|1,0,2]=4 284 B6R0.6 CCCCNC=O 1P004TQ7 [1,0,0,0,0,0|1,0,1]=3 285 B6R0.6 CCCCOC=C 1P0038FE [1,0,0,0,0,0|2,0,1]=4 286 B6R0.6 CCCNCC=C 1P00EEVI [1,0,0,0,0,0|2,0,1]=4 287 B6R0.6 CCCNCC=C 1P00J2H3 [1,0,0,0,0,0|2,0,1]=4 288 B6R0.6 CCCNCCO 1P001URY [1,0,0,0,0,0|1,0,2]=4 289 B6R0.6 CCCOCCO 1P003ID8 [1,0,0,0,0,0|1,0,2]=4 290 B6R0.6 CCC\C=C\CC 1P001EUK [1,0,0,0,0,0|1,0,1]=3 291 B6R0.6 CCC\C=C\CI 1P000HQT [1,0,0,0,0,0|1,0,1]=3 292 B6R0.6 CCC\C=C\CN 1P01DWZW [1,0,0,0,0,0|1,0,1]=3 293 B6R0.6 CCC\C=C\CO 1P00GS1G [1,0,0,0,0,0|0,0,1]=2 294 B6R0.6 CCOC=CCC 1P003EMN [1,0,0,0,0,0|2,0,1]=4 295 B6R0.6 CCOCCC=O 1P00BG9R [1,0,0,0,0,0|1,0,2]=4 296 B6R0.6 CCO\C=C\C#N 1P003JUC [1,0,0,0,0,0|2,0,1]=4 297 B6R0.6 CC\C=C/CC=O 1P003PF5 [1,0,0,0,0,0|0,0,2]=3 298 B6R0.6 COCC#CC=O 1P028NXR [1,0,0,0,0,0|1,0,2]=4 299 B6R0.6 COCC=CCN 1P01XINX [1,0,0,0,0,0|2,0,1]=4 300 B6R0.6 COCCCC=O 1P00CBQP [1,0,0,0,0,0|1,0,2]=4 301 B6R0.6 COCCNC=O 1P01DWWC [1,0,0,0,0,0|2,0,1]=4 302 B6R0.6 CSCC=CCN 1P024URW [1,0,0,0,0,0|2,0,1]=4 303 B6R0.6 CSCCCC=O 1P00D7TQ [1,0,0,0,0,0|1,0,2]=4 304 B6R0.6 C\C=C\C=C\CN 1P01DWZV [1,0,0,0,0,0|2,0,1]=4 305 B6R0.6 C\C=C\C=C\CO 1P003CHO [1,0,0,0,0,0|0,0,3]=4 306 B6R0.6 C\C=C\CCCI 1P028HXK [1,0,0,0,0,0|2,0,1]=4 307 B6R0.6 C\C=C\CCCN 1P023ZOR [1,0,0,0,0,0|2,0,1]=4 308 B6R0.6 C\C=C\CCCO 1P003LXM [1,0,0,0,0,0|2,0,1]=4 309 B6R0.6 ClCCCCC=O 1P002DET [1,0,0,0,0,0|1,0,2]=4 310 B6R0.6 OCCCCC=O 1P003A4R [1,0,0,0,0,0|1,0,2]=4 311 B6R0.6 OCCCNC=O 1P01I7G6 [1,0,0,0,0,0|2,0,1]=4 312 B6R0.6 OCC\C=C/CC 1P00377Y [1,0,0,0,0,0|0,0,3]=4 313 B6R0.6 OCC\C=C\C=C 1P005YFP [1,0,0,0,0,0|2,0,0]=3 314 B6R0.6 OCC\C=C\CC 1P003VE0 [1,0,0,0,0,0|0,0,3]=4 315 B6R0.6 [O-]C\C=C\C=C\C 1P006TR9 [1,0,0,0,0,0|2,0,1]=4 316 B8R0.5 CC(=CC(=O)O)CCC 1P0037TF [0,1,0,0,0,0|0,0,0]=1 317 B8R0.5 CC(=CC(=O)O)COC 1P01AEID [0,1,0,0,0,0|1,0,0]=2 318 B8R0.5 CC(NCC)CC(=O)O 1P01AA3H [0,1,0,0,0,0|1,0,2]=4 319 B8R0.5 CC(NCC)CC(=O)O 1P01AA3Q [0,1,0,0,0,0|1,0,2]=4 320 B8R0.5 CC(SCC)CC(=O)O 1P01E65K [0,1,0,0,0,0|1,0,2]=4 321 B8R0.5 CCCC(=C)CC(=O)O 1P01GCQY [0,1,0,0,0,0|0,0,1]=2 322 B8R0.5 CCCC(=O)CC(=O)C 1P008R1G [0,1,0,0,0,0|1,0,1]=3 323 B8R0.5 CCCC(=O)CC(=O)O 1P0073KJ [0,1,0,0,0,0|0,0,1]=2 324 B8R0.5 CCCC(CC(=O)C)C 1P00ECOX [0,1,0,0,0,0|1,0,2]=4 325 B8R0.5 CCCC(CC(=O)O)C 1P00C0ML [0,1,0,0,0,0|0,0,2]=3 326 B8R0.5 CCCC(CC(=O)O)N 1P00EBTZ [0,1,0,0,0,0|0,0,2]=3 327 B8R0.5 CCCC(CC(=O)O)O 1P0006E4 [0,1,0,0,0,0|0,0,2]=3 328 B8R0.5 CCCC(OC(=O)C)C 1P000DP3 [0,1,0,0,0,0|2,0,1]=4 329 B8R0.5 CCCN(CC(=O)O)C 1P01ABNR [0,1,0,0,0,0|1,0,1]=3 330 B8R0.5 CCCS(=O)CC(=O)O 1P0013O1 [0,1,0,0,0,0|1,0,1]=3 331 B8R0.5 CCC[C@@H](CC(=O)O)N 1P006D2E [0,1,0,0,0,0|0,0,2]=3 332 B8R0.5 CCC[C@@H](CC(=O)O)N 1P00EM67 [0,1,0,0,0,0|0,0,2]=3 333 B8R0.5 CCC[C@@H](CC(=O)O)O 1P006NFR [0,1,0,0,0,0|0,0,2]=3 334 B8R0.5 CCNC(=O)CC(=O)O 1P00JEM8 [0,1,0,0,0,0|1,0,1]=3 335 B8R0.5 CCOC(=O)C=C(C)C 1P0035DS [0,1,0,0,0,0|3,0,0]=4 336 B8R0.5 CCOC(=O)C=C(F)F 1P00D6D1 [0,1,0,0,0,0|3,0,0]=4 337 B8R0.5 CCOC(=O)C=C(N)C 1P00341D [0,1,0,0,0,0|3,0,0]=4 338 B8R0.5 CCOC(=O)CC(=O)C 1P001G80 [0,1,0,0,0,0|2,0,1]=4 339 B8R0.5 CCOC(=O)CC(=O)Cl 1P003QO3 [0,1,0,0,0,0|2,0,1]=4 340 B8R0.5 CCOC(=O)CC(=O)N 1P005HF6 [0,1,0,0,0,0|2,0,1]=4 341 B8R0.5 CCOC(=O)CC(=O)[O-] 1P01FZ76 [0,1,0,0,0,0|1,0,2]=4 342 B8R0.5 CCOC(=O)NC(=O)C 1P002RPE [0,1,0,0,0,0|3,0,0]=4 343 B8R0.5 CCOC(=O)NC(=O)N 1P003QUV [0,1,0,0,0,0|3,0,0]=4 344 B8R0.5 CCOC(=O)\C=C(/C)\[O-] 1P00BCU3 [0,1,0,0,0,0|2,0,1]=4 345 B8R0.5 CCOC(=O)\C=C(/I)\C 1P00CUPQ [0,1,0,0,0,0|3,0,0]=4 346 B8R0.5 CCOC(=O)\C=C(/N)\C 1P003QNT [0,1,0,0,0,0|3,0,0]=4 347 B8R0.5 CNCC(CC(=O)O)O 1P01APWE [0,1,0,0,0,0|1,0,2]=4 348 B8R0.5 COCC(=O)CC(=O)C 1P00ED5W [0,1,0,0,0,0|2,0,1]=4 349 B8R0.5 COCC(CC(=O)O)C 1P019ZSS [0,1,0,0,0,0|1,0,2]=4 350 B8R0.5 COC[C@@H](CC(=O)O)N 1P01FISX [0,1,0,0,0,0|1,0,2]=4 351 B8R0.5 C\C(=C/C(=O)O)\CCC 1P003K5U [0,1,0,0,0,0|0,0,0]=1 352 B8R0.5 NC(=O)NC(=O)CCCl 1P00E1JF [0,1,0,0,0,0|3,0,0]=4 353 B8R0.5 NCCC(=O)NC(=O)N 1P019U7W [0,1,0,0,0,0|3,0,0]=4 354 B8R0.5 NCCC(CC(=O)O)C 1P01A1JJ [0,1,0,0,0,0|1,0,2]=4 355 B8R0.5 NCCC(CC(=O)O)O 1P01DIXB [0,1,0,0,0,0|1,0,2]=4 356 B8R0.5 NCCN(CC(=O)O)C 1P01A3X0 [0,1,0,0,0,0|2,0,1]=4 357 B8R0.5 NCC[C@@H](CC(=O)O)N 1P028LAX [0,1,0,0,0,0|1,0,2]=4 358 B8R0.5 NCC[C@@H](CC(=O)O)O 1P028UKC [0,1,0,0,0,0|1,0,2]=4 359 B8R0.5 NCC[C@H](CC(=O)O)C 1P0283UC [0,1,0,0,0,0|1,0,2]=4 360 B8R0.5 OCCN(CC(=O)O)C 1P002T2F [0,1,0,0,0,0|2,0,1]=4 361 B8R0.5 [O-]C(=O)CC(=O)OCC 1P0035DE [0,1,0,0,0,0|1,0,2]=4 362 B8R0.6 BrCCCCC(=O)OC 1P0035OM [0,1,0,0,0,0|1,0,2]=4 363 B8R0.6 CC=CC=CC(=O)OC 1P001NUA [0,1,0,0,0,0|0,0,2]=3 364 B8R0.6 CCCC#CC(=O)OC 1P002E2C [0,1,0,0,0,0|0,0,2]=3 365 B8R0.6 CCCCCC(=O)C=C 1P0032P4 [0,1,0,0,0,0|1,0,2]=4 366 B8R0.6 CCCCCC(=O)CBr 1P001UJM [0,1,0,0,0,0|1,0,2]=4 367 B8R0.6 CCCCCC(=O)CC 1P003KB3 [0,1,0,0,0,0|1,0,2]=4 368 B8R0.6 CCCCCC(=O)NN 1P007NQB [0,1,0,0,0,0|1,0,2]=4 369 B8R0.6 CCCCCC(=O)NO 1P00702Y [0,1,0,0,0,0|0,0,2]=3 370 B8R0.6 CCCCCC(=O)OC 1P003SH4 [0,1,0,0,0,0|0,0,2]=3 371 B8R0.6 CCCCNC(=O)C=C 1P00BGZZ [0,1,0,0,0,0|2,0,1]=4 372 B8R0.6 CCCCNC(=O)CC 1P002Z7K [0,1,0,0,0,0|2,0,1]=4 373 B8R0.6 CCCCNC(=O)CCl 1P00D9U4 [0,1,0,0,0,0|2,0,1]=4 374 B8R0.6 CCCCNC(=O)NN 1P002AZ5 [0,1,0,0,0,0|2,0,1]=4 375 B8R0.6 CCCCOC(=O)C=C 1P001G67 [0,1,0,0,0,0|2,0,1]=4 376 B8R0.6 CCCCOC(=O)CCl 1P003P26 [0,1,0,0,0,0|2,0,1]=4 377 B8R0.6 CCCCOC(=O)CN 1P009B7X [0,1,0,0,0,0|2,0,1]=4 378 B8R0.6 CCCCOC(=O)CO 1P003P2L [0,1,0,0,0,0|1,0,1]=3 379 B8R0.6 CCCCOC(=O)CS 1P0002J7 [0,1,0,0,0,0|1,1,1]=4 380 B8R0.6 CCCCOC(=O)OC 1P00E0M4 [0,1,0,0,0,0|1,0,1]=3 381 B8R0.6 CCCNCC(=O)NC 1P019WTH [0,1,0,0,0,0|2,0,1]=4 382 B8R0.6 CCCNCC(=O)OC 1P01BD8H [0,1,0,0,0,0|1,0,1]=3 383 B8R0.6 CCC\C=C\C(=O)OC 1P001ACY [0,1,0,0,0,0|0,0,0]=1 384 B8R0.6 CCNCCC(=O)OC 1P003S6I [0,1,0,0,0,0|1,0,2]=4 385 B8R0.6 CCSC=CC(=O)OC 1P01B82H [0,1,0,0,0,0|1,0,0]=2 386 B8R0.6 CC\C=C/CC(=O)C=C 1P00FGQF [0,1,0,0,0,0|1,0,2]=4 387 B8R0.6 CC\C=C\CC(=O)OC 1P00AK1M [0,1,0,0,0,0|0,0,2]=3 388 B8R0.6 CNCC#CC(=O)OC 1P028XV7 [0,1,0,0,0,0|1,0,2]=4 389 B8R0.6 CNCCCC(=O)OC 1P00GVAH [0,1,0,0,0,0|1,0,2]=4 390 B8R0.6 COC(=O)CC=CCN 1P028B66 [0,1,0,0,0,0|1,0,2]=4 391 B8R0.6 COC(=O)COCCCl 1P004VX6 [0,1,0,0,0,0|2,0,1]=4 392 B8R0.6 COC(=O)COCCN 1P01AGKQ [0,1,0,0,0,0|2,0,1]=4 393 B8R0.6 COC(=O)CSCCN 1P01ABKJ [0,1,0,0,0,0|2,0,1]=4 394 B8R0.6 COC(=O)CSCCO 1P01EMTX [0,1,0,0,0,0|2,0,1]=4 395 B8R0.6 COC(=O)NCCCN 1P0287FB [0,1,0,0,0,0|2,0,1]=4 396 B8R0.6 COC(=O)NCCCO 1P028FD6 [0,1,0,0,0,0|2,0,1]=4 397 B8R0.6 COCCCC(=O)OC 1P002VN6 [0,1,0,0,0,0|1,0,2]=4 398 B8R0.6 COC\C=C\C(=O)OC 1P00101R [0,1,0,0,0,0|1,0,0]=2 399 B8R0.6 CSCCCC(=O)OC 1P003SAN [0,1,0,0,0,0|1,0,2]=4 400 B8R0.6 CSCCNC(=O)OC 1P028WWP [0,1,0,0,0,0|2,0,1]=4 401 B8R0.6 C\C=C\C=C\C(=O)NO 1P00C7Y7 [0,1,0,0,0,0|0,0,2]=3 402 B8R0.6 C\C=C\C=C\C(=O)OC 1P006EBP [0,1,0,0,0,0|0,0,2]=3 403 B8R0.6 ClCCCCC(=O)OC 1P0035OP [0,1,0,0,0,0|1,0,2]=4 404 B8R0.6 NCCC#CC(=O)OC 1P028228 [0,1,0,0,0,0|1,0,2]=4 405 B8R0.6 NCCCCC(=O)OC 1P003AAV [0,1,0,0,0,0|1,0,2]=4 406 B8R0.6 OCCCCC(=O)OC 1P006XZT [0,1,0,0,0,0|1,0,2]=4 407 B8R0.6 SCCCCC(=O)OC 1P005E7S [0,1,0,0,0,0|1,0,2]=4 408 B8R0.6 [N-]=[N+]=N\C=C/C(=O)OC 1P000CJD [0,1,0,0,0,0|3,0,0]=4 409 B8R0.7 BrCCCCCC(=O)C 1P01AV5V [0,1,0,0,0,0|1,0,2]=4 410 B8R0.7 BrCCCCCC(=O)Cl 1P0039BS [0,1,0,0,0,0|1,0,2]=4 411 B8R0.7 BrCCCCCC(=O)N 1P00EADM [0,1,0,0,0,0|1,0,2]=4 412 B8R0.7 BrCCCCCC(=O)O 1P003NLF [0,1,0,0,0,0|0,0,2]=3 413 B8R0.7 BrCCCCOC(=O)C 1P0034F1 [0,1,0,0,0,0|2,0,1]=4 414 B8R0.7 BrCCOCCC(=O)O 1P00HVZX [0,1,0,0,0,0|1,0,2]=4 415 B8R0.7 C#CCCCCC(=O)O 1P00328D [0,1,0,0,0,0|0,0,3]=4 416 B8R0.7 C#CCCNCC(=O)O 1P0284YX [0,1,0,0,0,0|1,0,2]=4 417 B8R0.7 C=CCCCCC(=O)O 1P0038GR [0,1,0,0,0,0|0,0,3]=4 418 B8R0.7 C=CCCOCC(=O)O 1P019Y59 [0,1,0,0,0,0|1,0,2]=4 419 B8R0.7 CC#CCCCC(=O)O 1P01A676 [0,1,0,0,0,0|0,0,3]=4 420 B8R0.7 CC#CCNCC(=O)O 1P02848M [0,1,0,0,0,0|1,0,2]=4 421 B8R0.7 CCC=CC=CC(O)C 1P005K3K [0,1,0,0,0,0|1,0,2]=4 422 B8R0.7 CCCCC#CC(=O)O 1P001G2G [0,1,0,0,0,0|0,0,2]=3 423 B8R0.7 CCCCC=CC(=O)C 1P001XGQ [0,1,0,0,0,0|1,0,0]=2 424 B8R0.7 CCCCC=CC(=O)O 1P002ENX [0,1,0,0,0,0|0,0,0]=1 425 B8R0.7 CCCCCCC(=O)C 1P003IAB [0,1,0,0,0,0|1,0,2]=4 426 B8R0.7 CCCCCCC(=O)Cl 1P003QE1 [0,1,0,0,0,0|1,0,2]=4 427 B8R0.7 CCCCCCC(=O)N 1P0037KH [0,1,0,0,0,0|1,0,2]=4 428 B8R0.7 CCCCCCC(=O)O 1P003RBO [0,1,0,0,0,0|0,0,2]=3 429 B8R0.7 CCCCCCC(=O)[O-] 1P0002NY [0,1,0,0,0,0|0,0,3]=4 430 B8R0.7 CCCCCOC(=O)C 1P0034XL [0,1,0,0,0,0|1,0,2]=4 431 B8R0.7 CCCCCOC(=O)Cl 1P003PAE [0,1,0,0,0,0|1,0,2]=4 432 B8R0.7 CCCCNCC(=O)N 1P019NIT [0,1,0,0,0,0|1,0,2]=4 433 B8R0.7 CCCCNCC(=O)O 1P00J7X7 [0,1,0,0,0,0|0,0,2]=3 434 B8R0.7 CCCCOCC(=O)Cl 1P028I2X [0,1,0,0,0,0|1,0,2]=4 435 B8R0.7 CCCCOCC(=O)O 1P002R5S [0,1,0,0,0,0|0,0,2]=3 436 B8R0.7 CCCCSCC(=O)O 1P002AX9 [0,1,0,0,0,0|0,0,2]=3 437 B8R0.7 CCCC\C=C\B(O)O 1P00C1EK [0,1,0,0,0,0|1,0,1]=3 438 B8R0.7 CCCC\C=C\C(=O)C 1P0076C0 [0,1,0,0,0,0|1,0,0]=2 439 B8R0.7 CCCNCCC(=O)O 1P01ELYG [0,1,0,0,0,0|0,0,2]=3 440 B8R0.7 CCCOCCC(=O)O 1P002BD9 [0,1,0,0,0,0|0,0,2]=3 441 B8R0.7 CCCSCCC(=O)Cl 1P028IX2 [0,1,0,0,0,0|1,0,2]=4 442 B8R0.7 CCCS\C=C/C(=O)O 1P028EBP [0,1,0,0,0,0|0,0,0]=1 443 B8R0.7 CCNCCCC(=O)O 1P002K4U [0,1,0,0,0,0|0,0,2]=3 444 B8R0.7 CCOCCCC(=O)O 1P019NUT [0,1,0,0,0,0|0,0,2]=3 445 B8R0.7 CCOCCNC(=O)N 1P019ZX5 [0,1,0,0,0,0|2,0,1]=4 446 B8R0.7 CCOCCOC(=O)Cl 1P00E93I [0,1,0,0,0,0|2,0,1]=4 447 B8R0.7 CC\C=C\C=C\C(=O)O 1P028PCP [0,1,0,0,0,0|0,0,1]=2 448 B8R0.7 CNCCCCC(=O)O 1P01DX5C [0,1,0,0,0,0|0,0,2]=3 449 B8R0.7 CNCCCNC(=O)C 1P01AJNL [0,1,0,0,0,0|2,0,1]=4 450 B8R0.7 COCCCCC(=O)O 1P006CGN [0,1,0,0,0,0|0,0,2]=3 451 B8R0.7 COCCCNC(=O)N 1P007DUD [0,1,0,0,0,0|2,0,1]=4 452 B8R0.7 COCCCOC(=O)C 1P01BITH [0,1,0,0,0,0|2,0,1]=4 453 B8R0.7 COCCCOC(=O)Cl 1P027VNF [0,1,0,0,0,0|2,0,1]=4 454 B8R0.7 COCCNCC(=O)N 1P01A8TR [0,1,0,0,0,0|2,0,1]=4 455 B8R0.7 COCCNCC(=O)O 1P019TZB [0,1,0,0,0,0|1,0,1]=3 456 B8R0.7 COCCNCC(=O)O 1P01AIYV [0,1,0,0,0,0|1,0,1]=3 457 B8R0.7 COCCOCC(=O)C 1P0089H1 [0,1,0,0,0,0|2,0,1]=4 458 B8R0.7 COCCOCC(=O)Cl 1P001S9J [0,1,0,0,0,0|2,0,1]=4 459 B8R0.7 COCCOCC(=O)O 1P001S9I [0,1,0,0,0,0|1,0,1]=3 460 B8R0.7 COCCSCC(=O)O 1P019MH3 [0,1,0,0,0,0|1,0,1]=3 461 B8R0.7 CSCCCCC(=O)O 1P005LP5 [0,1,0,0,0,0|0,0,2]=3 462 B8R0.7 CSCCCOC(=O)C 1P001X2X [0,1,0,0,0,0|2,0,1]=4 463 B8R0.7 CSCCNCC(=O)O 1P01B5S2 [0,1,0,0,0,0|1,0,1]=3 464 B8R0.7 CSCCOCC(=O)O 1P028X17 [0,1,0,0,0,0|1,0,1]=3 465 B8R0.7 CSSCCCC(=O)O 1P0018IE [0,1,0,0,0,0|1,0,2]=4 466 B8R0.7 ClCCCCCC(=O)Cl 1P003NN4 [0,1,0,0,0,0|1,0,2]=4 467 B8R0.7 ClCCCCCC(=O)O 1P0034TE [0,1,0,0,0,0|0,0,2]=3 468 B8R0.7 ClCCCCNC(=O)C 1P01BKNG [0,1,0,0,0,0|2,0,1]=4 469 B8R0.7 ClCCCCOC(=O)C 1P0034GO [0,1,0,0,0,0|2,0,1]=4 470 B8R0.7 ClCCC\C=C\B(O)O 1P003CGR [0,1,0,0,0,0|1,0,1]=3 471 B8R0.7 FCCCCCC(=O)O 1P00CWI0 [0,1,0,0,0,0|0,0,2]=3 472 B8R0.7 FCCCOCC(=O)O 1P028I6M [0,1,0,0,0,0|1,0,1]=3 473 B8R0.7 ICCCCCC(=O)O 1P01I3B5 [0,1,0,0,0,0|0,0,2]=3 474 B8R0.7 N#CCCCCC(=O)O 1P00DRW1 [0,1,0,0,0,0|0,0,3]=4 475 B8R0.7 N#CCCNCC(=O)O 1P00320S [0,1,0,0,0,0|1,0,2]=4 476 B8R0.7 N#CCCSCC(=O)O 1P028JU6 [0,1,0,0,0,0|1,0,2]=4 477 B8R0.7 NCCCCCC(=O)C 1P00IKV4 [0,1,0,0,0,0|1,0,2]=4 478 B8R0.7 NCCCCCC(=O)N 1P00CN40 [0,1,0,0,0,0|1,0,2]=4 479 B8R0.7 NCCCCCC(=O)O 1P0034SA [0,1,0,0,0,0|0,0,2]=3 480 B8R0.7 NCCCCCC(=O)O 1P00D9C9 [0,1,0,0,0,0|0,0,2]=3 481 B8R0.7 NCCCCNC(=O)C 1P00244C [0,1,0,0,0,0|2,0,1]=4 482 B8R0.7 NCCCCNC(=O)C 1P003T5V [0,1,0,0,0,0|2,0,1]=4 483 B8R0.7 NCCCCNC(=O)N 1P01AJJ7 [0,1,0,0,0,0|2,0,1]=4 484 B8R0.7 NCCCCSC(=O)C 1P01XFJ1 [0,1,0,0,0,0|2,0,1]=4 485 B8R0.7 NCCCOCC(=O)O 1P01FIX4 [0,1,0,0,0,0|1,0,1]=3 486 B8R0.7 NCCNCCC(=O)O 1P01A1P4 [0,1,0,0,0,0|1,0,2]=4 487 B8R0.7 NCCOCCC(=O)O 1P00HXT3 [0,1,0,0,0,0|1,0,2]=4 488 B8R0.7 NCCOCCC(=O)O 1P01ELVI [0,1,0,0,0,0|1,0,2]=4 489 B8R0.7 NC\C=C\C=C\C(=O)O 1P0282JT [0,1,0,0,0,0|0,0,2]=3 490 B8R0.7 O=C(O)COCCC#C 1P01K8OJ [0,1,0,0,0,0|1,0,2]=4 491 B8R0.7 O=CCCCCC(=O)O 1P0068NJ [0,1,0,0,0,0|0,0,3]=4 492 B8R0.7 OC(=O)C#CCCCF 1P027ZXI [0,1,0,0,0,0|0,0,2]=3 493 B8R0.7 OCCCCCC(=O)N 1P01DN53 [0,1,0,0,0,0|1,0,2]=4 494 B8R0.7 OCCCCCC(=O)O 1P000INE [0,1,0,0,0,0|0,0,2]=3 495 B8R0.7 OCCCCCC(=O)[O-] 1P0036KW [0,1,0,0,0,0|0,0,3]=4 496 B8R0.7 OCCCNCC(=O)[O-] 1P02829X [0,1,0,0,0,0|1,0,2]=4 497 B8R0.7 OCCC\C=C\C(C)C 1P028X40 [0,1,0,0,0,0|2,0,1]=4 498 B8R0.7 OCCNCCC(=O)O 1P00DHB0 [0,1,0,0,0,0|1,0,2]=4 499 B8R0.7 OCCOCCC(=O)O 1P00IG2B [0,1,0,0,0,0|1,0,2]=4 500 B8R0.7 OCCS\C=C/C(=O)O 1P028O4K [0,1,0,0,0,0|1,0,0]=2 501 B8R0.7 SCCCCCC(=O)O 1P0025EW [0,1,0,0,0,0|0,0,2]=3 502 B8R0.7 SCCOCCC(=O)O 1P01FGCI [0,1,0,0,0,0|1,0,2]=4 503 B8R0.7 [O-]C(=O)C=CCCSC 1P028BF9 [0,1,0,0,0,0|0,0,1]=2 504 B8R0.7 [O-]CCCCCC(=O)O 1P00DYY3 [0,1,0,0,0,0|0,0,2]=3 505 B8R0.8 CC(=CCCC)C(=O)O 1P002XFF [0,1,0,0,0,0|0,0,0]=1 506 B8R0.8 CC(C(=O)O)CCCC 1P00704O [0,1,0,0,0,0|0,0,2]=3 507 B8R0.8 CC(C(=O)O)CCCN 1P01A3FH [0,1,0,0,0,0|1,0,2]=4 508 B8R0.8 CC(C(=O)O)CCOC 1P019Q7O [0,1,0,0,0,0|1,0,2]=4 509 B8R0.8 CC(C(=O)O)CNCC 1P01AA4Z [0,1,0,0,0,0|1,0,2]=4 510 B8R0.8 CC(C(=O)O)COCC 1P0292MN [0,1,0,0,0,0|1,0,2]=4 511 B8R0.8 CC(C(=O)O)OCCC 1P00F0M9 [0,1,0,0,0,0|1,0,1]=3 512 B8R0.8 CCCCC(=O)C(=O)O 1P002QCL [0,1,0,0,0,0|0,0,1]=2 513 B8R0.8 CCCCC(C(=O)C)C 1P007NXP [0,1,0,0,0,0|1,0,2]=4 514 B8R0.8 CCCCC(C(=O)N)Br 1P01A97M [0,1,0,0,0,0|1,0,2]=4 515 B8R0.8 CCCCC(C(=O)O)Br 1P003H8L [0,1,0,0,0,0|0,0,2]=3 516 B8R0.8 CCCCC(C(=O)O)F 1P01FNJ3 [0,1,0,0,0,0|0,0,2]=3 517 B8R0.8 CCCCC(C(=O)O)O 1P003HW9 [0,1,0,0,0,0|0,0,2]=3 518 B8R0.8 CCCC[C@@H](C(=O)N)N 1P0068VS [0,1,0,0,0,0|1,0,2]=4 519 B8R0.8 CCCC[C@@H](C(=O)O)N 1P00I6OO [0,1,0,0,0,0|0,0,2]=3 520 B8R0.8 CCCC[C@H](C(=O)O)N 1P00I6ON [0,1,0,0,0,0|0,0,2]=3 521 B8R0.8 CCCNC(=O)C(=O)O 1P0058KI [0,1,0,0,0,0|1,0,0]=2 522 B8R0.8 CCCOC(=O)C(=O)C 1P0028VH [0,1,0,0,0,0|2,0,0]=3 523 B8R0.8 CCCOC(=O)C(O)C 1P003RL6 [0,1,0,0,0,0|2,0,1]=4 524 B8R0.8 CCOC[C@H](C(=O)O)N 1P01BD12 [0,1,0,0,0,0|1,0,2]=4 525 B8R0.8 CN(C(=O)Cl)CCCC 1P01DWV3 [0,1,0,0,0,0|2,0,1]=4 526 B8R0.8 COCCC(C(=O)O)N 1P00DCXN [0,1,0,0,0,0|1,0,2]=4 527 B8R0.8 CSCCC(C(=O)O)N 1P00359K [0,1,0,0,0,0|1,0,2]=4 528 B8R0.8 CSCCC(C(=O)O)N 1P004G2K [0,1,0,0,0,0|1,0,2]=4 529 B8R0.8 CSCCC(C(=O)O)O 1P003HUT [0,1,0,0,0,0|1,0,2]=4 530 B8R0.8 CSCC[C@@H](C(=O)O)N 1P0035KJ [0,1,0,0,0,0|1,0,2]=4 531 B8R0.8 CSCC[C@H](C(=O)O)N 1P003RAV [0,1,0,0,0,0|1,0,2]=4 532 B8R0.8 C[C@@H](C(=O)O)OCOC 1P028NYU [0,1,0,0,0,0|2,0,1]=4 533 B8R0.8 C[C@H](C(=O)O)CCCBr 1P028I05 [0,1,0,0,0,0|1,0,2]=4 534 B8R0.8 C[Se]CCC(C(=O)O)N 1P001EFS [0,1,0,0,0,0|1,0,2]=4 535 B8R0.8 C[Se]CC[C@@H](C(=O)O)N 1P0038IP [0,1,0,0,0,0|1,0,2]=4 536 B8R0.8 C\C(=C/CCN)\C(=O)O 1P028ULS [0,1,0,0,0,0|1,0,0]=2 537 B8R0.8 NC(C(=O)O)CCCF 1P028WMJ [0,1,0,0,0,0|1,0,2]=4 538 B8R0.8 NC(C(=O)O)CCCN 1P00BCW6 [0,1,0,0,0,0|1,0,2]=4 539 B8R0.8 NC(C(=O)O)CCCN 1P00HBCP [0,1,0,0,0,0|1,0,2]=4 540 B8R0.8 NCCC[C@@H](C(=O)O)N 1P003RTT [0,1,0,0,0,0|1,0,2]=4 541 B8R0.8 N[C@@H](C(=O)O)CCCN 1P0039DT [0,1,0,0,0,0|1,0,2]=4 542 B8R0.8 N[C@H](C(=O)O)CCCCl 1P028N8J [0,1,0,0,0,0|1,0,2]=4 543 B8R0.8 N[C@H](C(=O)O)CCCN 1P00378H [0,1,0,0,0,0|1,0,2]=4 544 B8R0.8 N[C@H](C(=O)O)CCCN 1P00IB4Y [0,1,0,0,0,0|1,0,2]=4 545 B8R0.8 OC(=O)C(=O)CCC=C 1P01B9F3 [0,1,0,0,0,0|0,0,3]=4 546 B8R0.8 OC(=O)\C(=C\CCF)\F 1P028OFA [0,1,0,0,0,0|1,0,0]=2 547 B8R0.8 OCCC[C@@H](C(=O)O)N 1P003D1M [0,1,0,0,0,0|1,0,2]=4 548 B8R0.8 OCCC[C@H](C(=O)O)N 1P01B7SX [0,1,0,0,0,0|1,0,2]=4 549 B8R0.8 [13CH3]SCC[C@H](C(=O)O)N 1P00DCXY [0,1,0,0,0,0|1,0,2]=4 550 B8R0.8 [O-]C(=O)C(=O)CCCC 1P000UMX [0,1,0,0,0,0|0,0,2]=3 551 B8R0.8 [O-]C(=O)C(=O)CCSC 1P0289HC [0,1,0,0,0,0|1,0,2]=4 552 B8R0.9 CC(CC)CCC(=O)O 1P001OZD [0,1,0,0,0,0|0,0,2]=3 553 B8R0.9 CC(CC)COC(=O)Cl 1P0029RF [0,1,0,0,0,0|2,0,1]=4 554 B8R0.9 CC(CN)CCC(=O)O 1P01A3KI [0,1,0,0,0,0|1,0,2]=4 555 B8R0.9 CC(NCC(=O)O)CC 1P019UYV [0,1,0,0,0,0|1,0,1]=3 556 B8R0.9 CC(OC)CCC(=O)O 1P01A6MQ [0,1,0,0,0,0|1,0,2]=4 557 B8R0.9 CC(OCC(=O)O)CC 1P01A2G6 [0,1,0,0,0,0|1,0,1]=3 558 B8R0.9 CC(SC)CCC(=O)O 1P01A4ZX [0,1,0,0,0,0|1,0,2]=4 559 B8R0.9 CC(\C=C\C(=O)O)CC 1P01HUR0 [0,1,0,0,0,0|0,0,0]=1 560 B8R0.9 CCC(=O)CCC(=O)O 1P007SOU [0,1,0,0,0,0|0,0,3]=4 561 B8R0.9 CCC(=O)NCC(=O)O 1P00C2I8 [0,1,0,0,0,0|1,0,2]=4 562 B8R0.9 CCC(CCC(=O)C)C 1P0023WR [0,1,0,0,0,0|1,0,2]=4 563 B8R0.9 CCC(CCC(=O)Cl)Cl 1P00IKRX [0,1,0,0,0,0|1,0,2]=4 564 B8R0.9 CCC(CCC(=O)O)N 1P00JEB8 [0,1,0,0,0,0|0,0,2]=3 565 B8R0.9 CCC(COC(=O)C)Br 1P01BASA [0,1,0,0,0,0|2,0,1]=4 566 B8R0.9 CCC(COC(=O)C)C 1P003I5L [0,1,0,0,0,0|2,0,1]=4 567 B8R0.9 CCS(=O)CCC(=O)O 1P0013NZ [0,1,0,0,0,0|1,0,2]=4 568 B8R0.9 CN(CC)CCC(=O)O 1P00J2A1 [0,1,0,0,0,0|1,0,2]=4 569 B8R0.9 CNC(=O)\C=C/C(=O)O 1P003TOL [0,1,0,0,0,0|1,0,1]=3 570 B8R0.9 COC(=O)C=CC(=O)C 1P00BDS4 [0,1,0,0,0,0|2,0,1]=4 571 B8R0.9 COC(=O)\C=C/C(=O)O 1P0030VV [0,1,0,0,0,0|1,0,1]=3 572 B8R0.9 COC(=O)\C=C\C(=O)O 1P002UJ4 [0,1,0,0,0,0|1,0,1]=3 573 B8R0.9 C\C(=C/CC(=O)O)\CC 1P00DKVF [0,1,0,0,0,0|0,0,2]=3 574 B8R0.9 NC(CF)CCC(=O)O 1P01BE8X [0,1,0,0,0,0|1,0,2]=4 575 B8R0.9 NCC(CCC(=O)O)N 1P01AI1W [0,1,0,0,0,0|1,0,2]=4 576 B8R0.9 NC[C@@H](CCC(=O)O)N 1P02403U [0,1,0,0,0,0|1,0,2]=4 577 B8R0.9 NC[C@H](CCC(=O)O)N 1P021JBW [0,1,0,0,0,0|1,0,2]=4 578 B8R0.9 N[C@H](CF)CCC(=O)O 1P01BDS0 [0,1,0,0,0,0|1,0,2]=4 579 B8R0.9 OC[C@H](CCC(=O)O)N 1P01C6Z9 [0,1,0,0,0,0|1,0,2]=4 580 B8R0.9 [O-]C(=O)CCC(CC)O 1P01XCZ8 [0,1,0,0,0,0|0,0,3]=4 581 B8R0.21 CCCCOP(=O)(O)C 1P01RQ9O [0,1,0,0,0,0|2,0,1]=4 582 B8R0.21 ONC\C=C\P(=O)(O)O 1P01EMNB [0,1,0,0,0,0|3,0,0]=4 583 B8R0.28 CC(=C)CCCC(=O)O 1P00DCNZ [0,1,0,0,0,0|0,0,3]=4 584 B8R0.28 CC(=C)COCC(=O)O 1P0002E6 [0,1,0,0,0,0|1,0,2]=4 585 B8R0.28 CC(=C\C=C\C(=O)C)C 1P003NR1 [0,1,0,0,0,0|1,0,2]=4 586 B8R0.28 CC(=O)CCCC(=O)O 1P003NES [0,1,0,0,0,0|0,0,3]=4 587 B8R0.28 CC(CCC=C(C)C)N 1P006Y97 [0,1,0,0,0,0|2,0,1]=4 588 B8R0.28 CC(CCC=C(C)C)O 1P001PJA [0,1,0,0,0,0|2,0,1]=4 589 B8R0.28 CC(CCCC(=O)C)C 1P003NRC [0,1,0,0,0,0|1,0,2]=4 590 B8R0.28 CC(CCCC(=O)Cl)Cl 1P01A4NJ [0,1,0,0,0,0|1,0,2]=4 591 B8R0.28 CC(CCCC(=O)O)N 1P01A3UJ [0,1,0,0,0,0|0,0,2]=3 592 B8R0.28 CC(CCCC(=O)O)O 1P003N9B [0,1,0,0,0,0|0,0,2]=3 593 B8R0.28 CC(CCNC(=O)C)C 1P0038AX [0,1,0,0,0,0|2,0,1]=4 594 B8R0.28 CC(CCNC(=O)N)C 1P00EZOW [0,1,0,0,0,0|2,0,1]=4 595 B8R0.28 CC(CCOC(=O)C)C 1P000KEB [0,1,0,0,0,0|2,0,1]=4 596 B8R0.28 CC(CCOC(=O)Cl)C 1P00EM5G [0,1,0,0,0,0|2,0,1]=4 597 B8R0.28 CC(CNC=C(C)C)C 1P01C4AK [0,1,0,0,0,0|3,0,0]=4 598 B8R0.28 CC(CNCC(=O)C)C 1P01C40Z [0,1,0,0,0,0|2,0,1]=4 599 B8R0.28 CC(CNCC(=O)N)C 1P019LYO [0,1,0,0,0,0|2,0,1]=4 600 B8R0.28 CC(CNCC(=O)O)C 1P007IVW [0,1,0,0,0,0|1,0,1]=3 601 B8R0.28 CC(CNCC(=O)O)C 1P01AAQB [0,1,0,0,0,0|1,0,1]=3 602 B8R0.28 CC(CNCC(=O)[O-])O 1P028LAM [0,1,0,0,0,0|1,0,2]=4 603 B8R0.28 CC(COCC(=O)O)N 1P028TSW [0,1,0,0,0,0|1,0,1]=3 604 B8R0.28 CC(CSCC(=O)C)C 1P01AH6M [0,1,0,0,0,0|2,0,1]=4 605 B8R0.28 CC(CSCC(=O)O)C 1P00BWG5 [0,1,0,0,0,0|1,0,1]=3 606 B8R0.28 CC(NCCC(=O)O)C 1P00I55W [0,1,0,0,0,0|1,0,2]=4 607 B8R0.28 CC(OCCC(=O)O)C 1P019MSC [0,1,0,0,0,0|1,0,2]=4 608 B8R0.28 CC(\C=C\CC(=O)O)C 1P01IP9Q [0,1,0,0,0,0|0,0,2]=3 609 B8R0.28 CN(CC#CC(=O)O)C 1P01NGIB [0,1,0,0,0,0|1,0,2]=4 610 B8R0.28 CN(CC=CC(=O)O)C 1P003KOC [0,1,0,0,0,0|1,0,0]=2 611 B8R0.28 CN(CCCC(=O)O)C 1P0034HC [0,1,0,0,0,0|1,0,2]=4 612 B8R0.28 CN(CCCC(=O)O)C 1P0034HD [0,1,0,0,0,0|1,0,2]=4 613 B8R0.28 CN(C\C=C/C(=O)[O-])C 1P023U1C [0,1,0,0,0,0|1,0,1]=3 614 B8R0.28 CN(C\C=C\C(=O)O)C 1P001MAY [0,1,0,0,0,0|1,0,0]=2 615 B8R0.28 CN(C\C=C\C(=O)O)C 1P0036C7 [0,1,0,0,0,0|1,0,0]=2 616 B8R0.28 C[C@@H](CCC=C(C)C)O 1P0037HK [0,1,0,0,0,0|2,0,1]=4 617 B8R0.28 C[C@H](CCC=C(C)C)O 1P003CJX [0,1,0,0,0,0|2,0,1]=4 618 B8R0.28 FC(CCCC(=O)O)F 1P01AM1G [0,1,0,0,0,0|1,0,2]=4 619 B8R0.28 FC(COCC(=O)O)F 1P00C3SO [0,1,0,0,0,0|2,0,1]=4 620 B8R0.28 FC(CSCC(=O)O)F 1P027TWR [0,1,0,0,0,0|2,0,1]=4 621 B8R0.28 OC(=O)CC=CC(=O)O 1P003R8C [0,1,0,0,0,0|1,0,1]=3 622 B8R0.28 OC(=O)C\C=C\C(=O)O 1P003R8D [0,1,0,0,0,0|1,0,1]=3 623 B8R1.1 BrCC1CCC(=O)O1 1P00C6UK [0,0,0,1,0,0|1,0,2]=4 624 B8R1.1 BrCC1CNC(=O)O1 1P01B9HT [0,0,0,1,0,0|2,0,1]=4 625 B8R1.1 CCC1CC(=O)CO1 1P01B68Q [0,0,0,1,0,0|2,0,1]=4 626 B8R1.1 CCC1CCC(=O)C1 1P0008HE [0,0,0,1,0,0|1,0,2]=4 627 B8R1.1 CCC1CCC(=O)N1 1P009RS0 [0,0,0,1,0,0|1,0,2]=4 628 B8R1.1 CCC1CCC(=O)O1 1P003LXK [0,0,0,1,0,0|0,0,2]=3 629 B8R1.1 CCC1CCC(=O)S1 1P0028FT [0,0,0,1,0,0|0,1,2]=4 630 B8R1.1 CCC1CNC(=O)C1 1P0075T3 [0,0,0,1,0,0|2,0,1]=4 631 B8R1.1 CCC1CNC(=O)O1 1P00C4QB [0,0,0,1,0,0|1,0,1]=3 632 B8R1.1 CCC1COC(=O)C1 1P01QNJA [0,0,0,1,0,0|2,0,1]=4 633 B8R1.1 CCC1COC(=O)N1 1P001SNP [0,0,0,1,0,0|2,0,1]=4 634 B8R1.1 CCC1COC(=O)O1 1P003LSA [0,0,0,1,0,0|1,0,1]=3 635 B8R1.1 CC[C@H]1CCC(=O)N1 1P0292WG [0,0,0,1,0,0|1,0,2]=4 636 B8R1.1 CC[C@H]1COC(=O)N1 1P001AEG [0,0,0,1,0,0|2,0,1]=4 637 B8R1.1 CCc1c[nH]c(=O)[nH]1 1P004V42 [0,0,0,1,0,0|2,0,1]=4 638 B8R1.1 CCc1ccc(o1)C 1P0039DO [0,0,0,1,0,0|1,0,1]=3 639 B8R1.1 CCc1ccc(s1)Br 1P00ECEK [0,0,0,1,0,0|1,1,1]=4 640 B8R1.1 CCc1ccc(s1)C 1P003HNV [0,0,0,1,0,0|1,1,1]=4 641 B8R1.1 CCc1ccc(s1)O 1P01DXA4 [0,0,0,1,0,0|0,1,1]=3 642 B8R1.1 CCc1ccc(s1)S 1P01BJP5 [0,0,0,1,0,0|0,2,1]=4 643 B8R1.1 CCc1cnc(o1)Br 1P01BIV2 [0,0,0,1,0,0|2,0,1]=4 644 B8R1.1 CCc1cnc(o1)Cl 1P028J9N [0,0,0,1,0,0|2,0,1]=4 645 B8R1.1 CCc1cnc(o1)N 1P019YWP [0,0,0,1,0,0|2,0,1]=4 646 B8R1.1 CCc1csc(=O)[nH]1 1P01ANOJ [0,0,0,1,0,0|2,0,1]=4 647 B8R1.1 CCc1ncc(o1)Br 1P01ELL1 [0,0,0,1,0,0|2,0,1]=4 648 B8R1.1 CCn1cc(cn1)O 1P005AYJ [0,0,0,1,0,0|3,0,0]=4 649 B8R1.1 CCn1ccc(n1)Br 1P009BLV [0,0,0,1,0,0|3,0,0]=4 650 B8R1.1 CCn1ccc(n1)C 1P0030KV [0,0,0,1,0,0|3,0,0]=4 651 B8R1.1 CCn1ccc(n1)C 1P01C0XS [0,0,0,1,0,0|3,0,0]=4 652 B8R1.1 CCn1ccc(n1)Cl 1P01KZM4 [0,0,0,1,0,0|3,0,0]=4 653 B8R1.1 CCn1ccc(n1)N 1P00D912 [0,0,0,1,0,0|3,0,0]=4 654 B8R1.1 CCn1ccc(n1)O 1P01DT9N [0,0,0,1,0,0|2,0,0]=3 655 B8R1.1 Cc1ccc(o1)CN 1P001CFL [0,0,0,1,0,0|2,0,1]=4 656 B8R1.1 Cc1ccc(o1)CO 1P003NBO [0,0,0,1,0,0|2,0,1]=4 657 B8R1.1 Cc1ccc(o1)CS 1P00EK7C [0,0,0,1,0,0|2,0,1]=4 658 B8R1.1 ClCC1CCC(=O)O1 1P00C90K [0,0,0,1,0,0|1,0,2]=4 659 B8R1.1 ClCC1CNC(=O)O1 1P0034PU [0,0,0,1,0,0|2,0,1]=4 660 B8R1.1 ClCC1COC(=O)O1 1P002PC3 [0,0,0,1,0,0|2,0,1]=4 661 B8R1.1 ClC[C@@H]1CNC(=O)O1 1P00ANXX [0,0,0,1,0,0|2,0,1]=4 662 B8R1.1 FCC1COC(=O)O1 1P000X84 [0,0,0,1,0,0|2,0,1]=4 663 B8R1.1 ICC1CCC(=O)O1 1P019GMZ [0,0,0,1,0,0|1,0,2]=4 664 B8R1.1 ICC1CNC(=O)O1 1P0290R7 [0,0,0,1,0,0|2,0,1]=4 665 B8R1.1 NCC1CCC(=O)O1 1P01B61N [0,0,0,1,0,0|1,0,2]=4 666 B8R1.1 NCC1CNC(=O)O1 1P001UZ2 [0,0,0,1,0,0|2,0,1]=4 667 B8R1.1 NCC1COC(=O)O1 1P027YU5 [0,0,0,1,0,0|2,0,1]=4 668 B8R1.1 NC[C@@H]1CNC(=O)O1 1P0026S8 [0,0,0,1,0,0|2,0,1]=4 669 B8R1.1 NC[C@@H]1COC(=O)O1 1P028894 [0,0,0,1,0,0|2,0,1]=4 670 B8R1.1 NC[C@H]1CNC(=O)O1 1P002DFQ [0,0,0,1,0,0|2,0,1]=4 671 B8R1.1 NC[C@H]1COC(=O)O1 1P028HKA [0,0,0,1,0,0|2,0,1]=4 672 B8R1.1 NCc1ccc(o1)Br 1P002T5R [0,0,0,1,0,0|2,0,1]=4 673 B8R1.1 NCc1ccc(o1)Br 1P01AGAI [0,0,0,1,0,0|2,0,1]=4 674 B8R1.1 NCc1ccc(o1)Cl 1P00BSTO [0,0,0,1,0,0|2,0,1]=4 675 B8R1.1 OCC1CCC(=O)O1 1P0036A1 [0,0,0,1,0,0|1,0,2]=4 676 B8R1.1 OCC1CNC(=O)O1 1P003MO9 [0,0,0,1,0,0|2,0,1]=4 677 B8R1.1 OCC1COC(=O)O1 1P0035FK [0,0,0,1,0,0|2,0,1]=4 678 B8R1.1 OCC1OC(=O)C=C1 1P007GAQ [0,0,0,1,0,0|1,0,0]=2 679 B8R1.1 OC[C@@H]1CCC(=O)O1 1P0039AG [0,0,0,1,0,0|1,0,2]=4 680 B8R1.1 OC[C@@H]1CNC(=O)O1 1P00IKGE [0,0,0,1,0,0|2,0,1]=4 681 B8R1.1 OC[C@H]1CCC(=O)O1 1P003CR4 [0,0,0,1,0,0|1,0,2]=4 682 B8R1.1 OC[C@H]1CNC(=O)O1 1P00IKGD [0,0,0,1,0,0|2,0,1]=4 683 B8R1.1 OCc1ccc(o1)Br 1P00BGK4 [0,0,0,1,0,0|2,0,1]=4 684 B8R1.1 SCc1ccc(o1)Cl 1P01EJ9A [0,0,0,1,0,0|2,0,1]=4 685 B8R1.4 CC1CC(=O)C=CC1 1P005K9T [0,0,0,1,0,0|1,0,0]=2 686 B8R1.4 CC1CC(=O)C=CN1 1P01HWL9 [0,0,0,1,0,0|2,0,0]=3 687 B8R1.4 CC1CCCC(=O)C1 1P003K7S [0,0,0,1,0,0|1,0,2]=4 688 B8R1.4 CC1CCCC(=O)N1 1P0034U4 [0,0,0,1,0,0|1,0,2]=4 689 B8R1.4 CC1CCCC(=O)O1 1P003VX8 [0,0,0,1,0,0|0,0,2]=3 690 B8R1.4 CC1CCNC(=O)C1 1P003AHU [0,0,0,1,0,0|2,0,1]=4 691 B8R1.4 CC1CCNC(=O)O1 1P028C5M [0,0,0,1,0,0|1,0,1]=3 692 B8R1.4 CC1CCOC(=O)C1 1P00978J [0,0,0,1,0,0|2,0,1]=4 693 B8R1.4 CC1CCOC(=O)O1 1P001ZJR [0,0,0,1,0,0|1,0,1]=3 694 B8R1.4 CC1CCOS(=O)O1 1P003M60 [0,0,0,1,0,0|2,0,1]=4 695 B8R1.4 CC1CNCC(=O)C1 1P01FJTW [0,0,0,1,0,0|2,0,1]=4 696 B8R1.4 CC1CNCC(=O)N1 1P003AKO [0,0,0,1,0,0|2,0,1]=4 697 B8R1.4 CC1COCC(=O)N1 1P00FBJD [0,0,0,1,0,0|2,0,1]=4 698 B8R1.4 CN1CC(O)C=CC1 1P027UAU [0,0,0,1,0,0|2,0,1]=4 699 B8R1.4 C[C@@H]1CC=CC(=O)O1 1P000IL2 [0,0,0,1,0,0|0,0,0]=1 700 B8R1.4 C[C@@H]1CCCC(=O)C1 1P003CM9 [0,0,0,1,0,0|1,0,2]=4 701 B8R1.4 C[C@@H]1CCCC(=O)O1 1P00DE9U [0,0,0,1,0,0|0,0,2]=3 702 B8R1.4 C[C@@H]1CNCC(=O)N1 1P000LY7 [0,0,0,1,0,0|2,0,1]=4 703 B8R1.4 C[C@@H]1CNCC(=O)N1 1P00J39E [0,0,0,1,0,0|2,0,1]=4 704 B8R1.4 C[C@@H]1COCC(=O)N1 1P000Q8W [0,0,0,1,0,0|2,0,1]=4 705 B8R1.4 C[C@@H]1CSCC(=O)N1 1P028I6F [0,0,0,1,0,0|2,0,1]=4 706 B8R1.4 C[C@H]1CCCC(=O)N1 1P001OOB [0,0,0,1,0,0|1,0,2]=4 707 B8R1.4 C[C@H]1CCCC(C1)=O 1P01KFQT [0,0,0,1,0,0|1,0,2]=4 708 B8R1.4 C[C@H]1CNCC(=O)N1 1P00AO1X [0,0,0,1,0,0|2,0,1]=4 709 B8R1.4 C[C@H]1CNCC(=O)N1 1P00BZA3 [0,0,0,1,0,0|2,0,1]=4 710 B8R1.4 C[C@H]1COCC(=O)N1 1P000Q8X [0,0,0,1,0,0|2,0,1]=4 711 B8R1.4 C[C@H]1CSCC(=O)N1 1P028EU9 [0,0,0,1,0,0|2,0,1]=4 712 B8R1.4 Cc1cccc(=O)[nH]1 1P00I6PQ [0,0,0,1,0,0|1,0,2]=4 713 B8R1.4 Cc1cccc(=O)[nH]1 1P01A5YK [0,0,0,1,0,0|1,0,2]=4 714 B8R1.4 Cc1cccc(c1)O 1P003RX9 [0,0,0,1,0,0|1,0,2]=4 715 B8R1.4 Cc1nccc(=O)[nH]1 1P002C6Y [0,0,0,1,0,0|2,0,1]=4 716 B8R1.4 O=C1CC=CC(=O)O1 1P0037LX [0,0,0,1,0,0|1,0,1]=3 717 B8R1.4 O=c1ccoc(c1)C 1P00F0CB [0,0,0,1,0,0|2,0,1]=4 718 B8R1.4 Oc1ccnc(c1)C 1P0034IL [0,0,0,1,0,0|2,0,1]=4 719 B8R1.4 Oc1ccnc(n1)C 1P0062KT [0,0,0,1,0,0|2,0,1]=4 720 B8R1.4 Oc1ccnc(n1)C 1P01KJLN [0,0,0,1,0,0|2,0,1]=4 721 B8R1.6 CCCC1CC(=O)C1 1P01DYCU [0,0,0,1,0,0|1,0,2]=4 722 B8R1.6 CCCC1CC(=O)N1 1P002M1S [0,0,0,1,0,0|1,0,2]=4 723 B8R1.7 CC(=O)C1=NCCS1 1P003GRI [0,0,0,1,0,0|3,0,0]=4 724 B8R1.7 CC(=O)C1CCCC1 1P00354R [0,0,0,1,0,0|1,0,2]=4 725 B8R1.7 CC(=O)C1CCCO1 1P00C4ID [0,0,0,1,0,0|2,0,1]=4 726 B8R1.7 CC(=O)N1CCCC1 1P003EDH [0,0,0,1,0,0|2,0,1]=4 727 B8R1.7 CC(=O)N1CCCO1 1P0288ND [0,0,0,1,0,0|3,0,0]=4 728 B8R1.7 CC(=O)[C@@H]1CCCN1 1P00H3GI [0,0,0,1,0,0|2,0,1]=4 729 B8R1.7 CC(=O)[C@@H]1CCCO1 1P000WFC [0,0,0,1,0,0|2,0,1]=4 730 B8R1.7 ClC(=O)C1CCCC1 1P00354M [0,0,0,1,0,0|1,0,2]=4 731 B8R1.7 ClC(=O)C1CCCO1 1P00DMA3 [0,0,0,1,0,0|2,0,1]=4 732 B8R1.7 ClC(=O)N1CCCC1 1P000IT1 [0,0,0,1,0,0|2,0,1]=4 733 B8R1.7 NC(=O)C1CCCC1 1P007HJK [0,0,0,1,0,0|1,0,2]=4 734 B8R1.7 NC(=O)C1CCCN1 1P000GQT [0,0,0,1,0,0|2,0,1]=4 735 B8R1.7 NC(=O)C1CCCN1 1P00BFWF [0,0,0,1,0,0|2,0,1]=4 736 B8R1.7 NC(=O)C1CCCO1 1P003V5L [0,0,0,1,0,0|2,0,1]=4 737 B8R1.7 NC(=O)N1CCCC1 1P00DIWO [0,0,0,1,0,0|2,0,1]=4 738 B8R1.7 NC(=O)[C@@H]1CCCN1 1P0035GU [0,0,0,1,0,0|2,0,1]=4 739 B8R1.7 NC(=O)[C@@H]1CCCN1 1P003D4X [0,0,0,1,0,0|2,0,1]=4 740 B8R1.7 NC(=O)[C@@H]1CCCO1 1P00DE9T [0,0,0,1,0,0|2,0,1]=4 741 B8R1.7 NC(=O)[C@H]1CCCN1 1P006W16 [0,0,0,1,0,0|2,0,1]=4 742 B8R1.7 NC(=O)[C@H]1CCCN1 1P00IBKU [0,0,0,1,0,0|2,0,1]=4 743 B8R1.7 O=C(C1=CCOC1)O 1P01JXNN [0,0,0,1,0,0|1,0,0]=2 744 B8R1.7 OB(C1=CCCC1)O 1P0036WZ [0,0,0,1,0,0|1,0,1]=3 745 B8R1.7 OC(=O)C1=CCCC1 1P001OVH [0,0,0,1,0,0|0,0,0]=1 746 B8R1.7 OC(=O)C1=CCCO1 1P018SRH [0,0,0,1,0,0|1,0,0]=2 747 B8R1.7 OC(=O)C1=CCCS1 1P01AJ4A [0,0,0,1,0,0|1,0,0]=2 748 B8R1.7 OC(=O)C1=CCNC1 1P028OIS [0,0,0,1,0,0|1,0,0]=2 749 B8R1.7 OC(=O)C1=COCC1 1P00IKH9 [0,0,0,1,0,0|1,0,0]=2 750 B8R1.7 OC(=O)C1=NOCC1 1P01AG5J [0,0,0,1,0,0|2,0,0]=3 751 B8R1.7 OC(=O)C1CCC=C1 1P002NU7 [0,0,0,1,0,0|0,0,2]=3 752 B8R1.7 OC(=O)C1CCCC1 1P003PN2 [0,0,0,1,0,0|0,0,2]=3 753 B8R1.7 OC(=O)C1CCCN1 1P003QB6 [0,0,0,1,0,0|1,0,1]=3 754 B8R1.7 OC(=O)C1CCCN1 1P019VB2 [0,0,0,1,0,0|1,0,1]=3 755 B8R1.7 OC(=O)C1CCCO1 1P001YQG [0,0,0,1,0,0|1,0,1]=3 756 B8R1.7 OC(=O)C1CCCS1 1P00ARL8 [0,0,0,1,0,0|1,0,1]=3 757 B8R1.7 OC(=O)C1CCNO1 1P01EKGI [0,0,0,1,0,0|2,0,1]=4 758 B8R1.7 OC(=O)C1CNCC1 1P003KD1 [0,0,0,1,0,0|1,0,2]=4 759 B8R1.7 OC(=O)C1CNCC1 1P00661O [0,0,0,1,0,0|1,0,2]=4 760 B8R1.7 OC(=O)C1COCC1 1P00GSP3 [0,0,0,1,0,0|1,0,2]=4 761 B8R1.7 OC(=O)C1COCN1 1P001TF6 [0,0,0,1,0,0|2,0,1]=4 762 B8R1.7 OC(=O)C1CSCC1 1P00B6RR [0,0,0,1,0,0|1,0,2]=4 763 B8R1.7 OC(=O)C1CSCN1 1P002UJX [0,0,0,1,0,0|2,0,1]=4 764 B8R1.7 OC(=O)C1NCC=C1 1P003IW1 [0,0,0,1,0,0|1,0,2]=4 765 B8R1.7 OC(=O)C1NCC=C1 1P01EMGG [0,0,0,1,0,0|1,0,2]=4 766 B8R1.7 OC(=O)C1NCCS1 1P001U81 [0,0,0,1,0,0|2,0,1]=4 767 B8R1.7 OC(=O)C1OCC=C1 1P00BDV6 [0,0,0,1,0,0|1,0,2]=4 768 B8R1.7 OC(=O)C1OCCO1 1P01I7AE [0,0,0,1,0,0|2,0,1]=4 769 B8R1.7 OC(=O)C1SCC=C1 1P01GC5N [0,0,0,1,0,0|1,0,2]=4 770 B8R1.7 OC(=O)C1SCCS1 1P00DW6Q [0,0,0,1,0,0|2,0,1]=4 771 B8R1.7 OC(=O)[C@@H]1CCCN1 1P0035JG [0,0,0,1,0,0|1,0,1]=3 772 B8R1.7 OC(=O)[C@@H]1CCCN1 1P005891 [0,0,0,1,0,0|1,0,1]=3 773 B8R1.7 OC(=O)[C@@H]1CCCO1 1P0032WH [0,0,0,1,0,0|1,0,1]=3 774 B8R1.7 OC(=O)[C@@H]1CNCC1 1P003CYR [0,0,0,1,0,0|1,0,2]=4 775 B8R1.7 OC(=O)[C@@H]1CNCC1 1P008UVS [0,0,0,1,0,0|1,0,2]=4 776 B8R1.7 OC(=O)[C@@H]1COCC1 1P001YHV [0,0,0,1,0,0|1,0,2]=4 777 B8R1.7 OC(=O)[C@@H]1COCN1 1P003D4U [0,0,0,1,0,0|2,0,1]=4 778 B8R1.7 OC(=O)[C@@H]1CSCN1 1P0035JH [0,0,0,1,0,0|2,0,1]=4 779 B8R1.7 OC(=O)[C@@H]1NCC=C1 1P00E9QJ [0,0,0,1,0,0|1,0,2]=4 780 B8R1.7 OC(=O)[C@H]1CCCN1 1P00359V [0,0,0,1,0,0|1,0,1]=3 781 B8R1.7 OC(=O)[C@H]1CCCO1 1P0032US [0,0,0,1,0,0|1,0,1]=3 782 B8R1.7 OC(=O)[C@H]1CNCC1 1P003CK9 [0,0,0,1,0,0|1,0,2]=4 783 B8R1.7 OC(=O)[C@H]1CNCC1 1P008UR5 [0,0,0,1,0,0|1,0,2]=4 784 B8R1.7 OC(=O)[C@H]1COCC1 1P00FBCC [0,0,0,1,0,0|1,0,2]=4 785 B8R1.7 OC(=O)[C@H]1CSCN1 1P00I8ZG [0,0,0,1,0,0|2,0,1]=4 786 B8R1.7 OC(=O)[C@H]1NCC=C1 1P002DVL [0,0,0,1,0,0|1,0,2]=4 787 B8R1.7 OC(=O)[C@H]1NCC=C1 1P003IW2 [0,0,0,1,0,0|1,0,2]=4 788 B8R1.7 OC(=O)c1c[nH]cc1 1P003UJU [0,0,0,1,0,0|1,0,2]=4 789 B8R1.7 OC(=O)c1c[nH]cn1 1P00338I [0,0,0,1,0,0|2,0,1]=4 790 B8R1.7 OC(=O)c1c[nH]nc1 1P0034LR [0,0,0,1,0,0|2,0,1]=4 791 B8R1.7 OC(=O)c1c[nH]nn1 1P003JZ0 [0,0,0,1,0,0|3,0,0]=4 792 B8R1.7 OC(=O)c1cc[nH]n1 1P001T7R [0,0,0,1,0,0|2,0,1]=4 793 B8R1.7 OC(=O)c1ccc[nH]1 1P00360N [0,0,0,1,0,0|1,0,2]=4 794 B8R1.7 OC(=O)c1cccs1 1P003IEW [0,0,0,1,0,0|1,0,2]=4 795 B8R1.7 OC(=O)c1ccn[nH]1 1P008M23 [0,0,0,1,0,0|2,0,1]=4 796 B8R1.7 OC(=O)c1ccno1 1P003RMK [0,0,0,1,0,0|2,0,1]=4 797 B8R1.7 OC(=O)c1ccns1 1P0008NL [0,0,0,1,0,0|2,0,1]=4 798 B8R1.7 OC(=O)c1ccon1 1P0038IR [0,0,0,1,0,0|2,0,1]=4 799 B8R1.7 OC(=O)c1ccsn1 1P006Z9D [0,0,0,1,0,0|2,0,1]=4 800 B8R1.7 OC(=O)c1cnco1 1P0038RZ [0,0,0,1,0,0|2,0,1]=4 801 B8R1.7 OC(=O)c1cncs1 1P001L77 [0,0,0,1,0,0|2,0,1]=4 802 B8R1.7 OC(=O)c1cnn[nH]1 1P00EIWD [0,0,0,1,0,0|3,0,0]=4 803 B8R1.7 OC(=O)c1cnn[nH]1 1P01JRD6 [0,0,0,1,0,0|3,0,0]=4 804 B8R1.7 OC(=O)c1cnns1 1P00DIE1 [0,0,0,1,0,0|3,0,0]=4 805 B8R1.7 OC(=O)c1cnon1 1P004BG6 [0,0,0,1,0,0|3,0,0]=4 806 B8R1.7 OC(=O)c1cnsn1 1P0038LO [0,0,0,1,0,0|3,0,0]=4 807 B8R1.7 OC(=O)c1cocc1 1P00346H [0,0,0,1,0,0|1,0,2]=4 808 B8R1.7 OC(=O)c1cocn1 1P002MBN [0,0,0,1,0,0|2,0,1]=4 809 B8R1.7 OC(=O)c1conc1 1P00EAGN [0,0,0,1,0,0|2,0,1]=4 810 B8R1.7 OC(=O)c1cscc1 1P00348Y [0,0,0,1,0,0|1,0,2]=4 811 B8R1.7 OC(=O)c1cscn1 1P003MJ5 [0,0,0,1,0,0|2,0,1]=4 812 B8R1.7 OC(=O)c1csnc1 1P0050GK [0,0,0,1,0,0|2,0,1]=4 813 B8R1.7 OC(=O)c1csnn1 1P003DRD [0,0,0,1,0,0|3,0,0]=4 814 B8R1.7 [O-]C(=O)[C@@H]1CCCN1 1P00AQX8 [0,0,0,1,0,0|1,0,2]=4 815 B8R1.20 CC1CC1CC(=O)O 1P01BBI8 [0,0,0,1,0,0|0,0,2]=3 816 B8R1.20 OC(=O)CC1CC1Br 1P02929L [0,0,0,1,0,0|1,0,2]=4 817 B8R1.20 OC(=O)C[C@@H]1C[C@@H]1F 1P0293PG [0,0,0,1,0,0|1,0,2]=4 818 B8R1.20 OC(=O)C[C@@H]1C[C@H]1F 1P027VHQ [0,0,0,1,0,0|1,0,2]=4 819 B8R1.22 BrC1=CCCCCC1 1P0024WB [0,0,0,1,0,0|2,0,1]=4 820 B8R1.22 BrC1CCCCC=C1 1P007ANT [0,0,0,1,0,0|2,0,1]=4 821 B8R1.22 C=C1OCCCCO1 1P003I5V [0,0,0,1,0,0|2,0,1]=4 822 B8R1.22 CC1=CCCCCC1 1P001L8L [0,0,0,1,0,0|2,0,1]=4 823 B8R1.22 ClC1CCCCC=C1 1P01HURI [0,0,0,1,0,0|2,0,1]=4 824 B8R1.22 NC1CCCCC=C1 1P0025SS [0,0,0,1,0,0|2,0,1]=4 825 B8R1.22 O=C1C=CCCC=C1 1P01DYXN [0,0,0,1,0,0|1,0,1]=3 826 B8R1.22 O=C1CCCCCC1 1P0036IB [0,0,0,1,0,0|1,0,2]=4 827 B8R1.22 O=C1CCCCCN1 1P0035A4 [0,0,0,1,0,0|1,0,2]=4 828 B8R1.22 O=C1CCCCCO1 1P003A8V [0,0,0,1,0,0|0,0,2]=3 829 B8R1.22 O=C1CCCCNC1 1P00EIWU [0,0,0,1,0,0|2,0,1]=4 830 B8R1.22 O=C1CNCCCN1 1P003E4E [0,0,0,1,0,0|2,0,1]=4 831 B8R1.22 O=C1CNCCCN1 1P003WL1 [0,0,0,1,0,0|2,0,1]=4 832 B8R1.22 O=C1COCCCN1 1P00IB9U [0,0,0,1,0,0|2,0,1]=4 833 B8R1.22 O=C1NCCC=CC1 1P01DWJ5 [0,0,0,1,0,0|1,0,2]=4 834 B8R1.22 O=C1NCCCC=C1 1P00BVP9 [0,0,0,1,0,0|1,0,0]=2 835 B8R1.22 O=C1NCCCCO1 1P021TXQ [0,0,0,1,0,0|1,0,1]=3 836 B8R1.22 O=C1OCCCCO1 1P003AZX [0,0,0,1,0,0|1,0,1]=3 837 B8R1.22 O=C1OCCOCC1 1P003E79 [0,0,0,1,0,0|1,0,2]=4 838 B8R1.31 CC1CCC1C(=O)O 1P0037P5 [0,0,0,1,0,0|0,0,2]=3 839 B8R1.31 CC1CCN1C(=O)Cl 1P028D8P [0,0,0,1,0,0|2,0,1]=4 840 B8R1.31 CC1NCC1C(=O)O 1P00HZI9 [0,0,0,1,0,0|1,0,2]=4 841 B8R1.31 CN1CCC1C(=O)O 1P01DYNI [0,0,0,1,0,0|1,0,2]=4 842 B8R1.31 CN1CC[C@@H]1C(=O)O 1P00I5CE [0,0,0,1,0,0|1,0,2]=4 843 B8R1.31 CN1CC[C@H]1C(=O)O 1P00I5CC [0,0,0,1,0,0|1,0,2]=4 844 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 1P00I3DK [0,0,0,1,0,0|1,0,1]=3 845 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 1P028NBG [0,0,0,1,0,0|1,0,1]=3 846 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O 1P027KVO [0,0,0,1,0,0|1,0,2]=4 847 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O 1P0023NG [0,0,0,1,0,0|1,0,2]=4 848 B8R1.31 N[C@H]1CC[C@H]1C(=O)O 1P00IL5S [0,0,0,1,0,0|1,0,2]=4 849 B8R1.31 OC(=O)C1=C(CC1)Cl 1P028NUC [0,0,0,1,0,0|1,0,2]=4 850 B8R1.31 OC(=O)C1CCC1F 1P01BAOK [0,0,0,1,0,0|1,0,2]=4 851 B8R1.31 OC(=O)[C@@H]1CC[C@@H]1F 1P0289HT [0,0,0,1,0,0|1,0,2]=4 852 B8R1.31 O[C@H]1CC[C@@H]1C(=O)O 1P01X055 [0,0,0,1,0,0|1,0,2]=4 853 B8R1.34 CC(=O)C=C1COC1 1P0017D4 [0,0,0,1,0,0|2,0,0]=3 854 B8R1.34 CC(=O)CC1CCC1 1P000UO9 [0,0,0,1,0,0|1,0,2]=4 855 B8R1.34 ClC(=O)NC1CCC1 1P0285ES [0,0,0,1,0,0|2,0,1]=4 856 B8R1.34 NC(=O)NC1CCC1 1P0059OR [0,0,0,1,0,0|2,0,1]=4 857 B8R1.34 OC(=O)C=C1CCC1 1P00BJ55 [0,0,0,1,0,0|0,0,0]=1 858 B8R1.34 OC(=O)CC1CCC1 1P003PKJ [0,0,0,1,0,0|0,0,2]=3 859 B8R1.34 OC(=O)CC1CCO1 1P019GW7 [0,0,0,1,0,0|1,0,2]=4 860 B8R1.34 OC(=O)CC1CNC1 1P00HFRP [0,0,0,1,0,0|1,0,2]=4 861 B8R1.34 OC(=O)CC1CNC1 1P00IJDE [0,0,0,1,0,0|1,0,2]=4 862 B8R1.34 OC(=O)CC1COC1 1P000VTU [0,0,0,1,0,0|1,0,2]=4 863 B8R1.34 OC(=O)CC1CSC1 1P01BG1E [0,0,0,1,0,0|1,0,2]=4 864 B8R1.34 OC(=O)CN1CCC1 1P01A2PZ [0,0,0,1,0,0|1,0,1]=3 865 B8R1.34 [O-][N+](=O)C=C1COC1 1P00H06B [0,0,0,1,0,0|2,0,1]=4 866 B8R1.35 CC(=O)CCC1CC1 1P01AD57 [0,0,0,1,0,0|1,0,2]=4 867 B8R1.35 ClC(=O)NCC1CC1 1P0284IH [0,0,0,1,0,0|2,0,1]=4 868 B8R1.35 ClC(=O)OCC1CC1 1P01ADOW [0,0,0,1,0,0|2,0,1]=4 869 B8R1.35 NC(=O)CCC1CC1 1P004VRG [0,0,0,1,0,0|1,0,2]=4 870 B8R1.35 NC(=O)NCC1CC1 1P00F5EJ [0,0,0,1,0,0|2,0,1]=4 871 B8R1.35 OB(\C=C\C1CC1)O 1P00IGKK [0,0,0,1,0,0|1,0,1]=3 872 B8R1.35 OC(=O)C#CC1CC1 1P008R3C [0,0,0,1,0,0|0,0,2]=3 873 B8R1.35 OC(=O)C=CC1CC1 1P019FIA [0,0,0,1,0,0|0,0,0]=1 874 B8R1.35 OC(=O)CCC1CC1 1P00IAHR [0,0,0,1,0,0|0,0,2]=3 875 B8R1.35 OC(=O)CNC1CC1 1P007JIG [0,0,0,1,0,0|1,0,1]=3 876 B8R1.35 OC(=O)CNC1CC1 1P019V79 [0,0,0,1,0,0|1,0,1]=3 877 B8R1.35 OC(=O)COC1CC1 1P01BICC [0,0,0,1,0,0|1,0,1]=3 878 B8R1.35 OC(=O)CSC1CC1 1P01APH1 [0,0,0,1,0,0|1,0,1]=3 879 B8R1.35 OC(=O)\C=C\C1CC1 1P00EM8D [0,0,0,1,0,0|0,0,0]=1 880 B8R1.35 [O-][N+](=O)C=CC1CC1 1P019SXQ [0,0,0,1,0,0|1,0,1]=3 881 B8R1.43 CCC1CC1C(=O)O 1P006GY6 [0,0,0,1,0,0|0,0,2]=3 882 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O 1P01C7Q9 [0,0,0,1,0,0|0,0,2]=3 883 B8R1.43 ClCC1CC1C(=O)O 1P01JJ25 [0,0,0,1,0,0|1,0,2]=4 884 B8R1.43 ClC[C@@H]1C[C@H]1C(=O)O 1P01JVD8 [0,0,0,1,0,0|1,0,2]=4 885 B8R1.43 FCC1CC1C(=O)O 1P01JUKL [0,0,0,1,0,0|1,0,2]=4 886 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O 1P00CORM [0,0,0,1,0,0|1,0,2]=4 887 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O 1P028TSL [0,0,0,1,0,0|1,0,2]=4 888 B8R1.72 CC1(O)CCCC=C1 1P00CCUM [0,0,0,1,0,0|1,0,1]=3 889 B8R1.72 O=S1(=O)CCCC=C1 1P01AC7N [0,0,0,1,0,0|1,0,1]=3 890 B8R1.72 O=S1(=O)NCCC=C1 1P028X0G [0,0,0,1,0,0|2,0,1]=4 891 B5R0.1 CC#CC(=O)O 1P0037I0 [2,0,0,0,0,0|0,0,2]=4 892 B5R0.1 CC(=O)CCBr 1P002W1I [2,0,0,0,0,0|2,0,0]=4 893 B5R0.1 CC(=O)CCCl 1P0036JS [2,0,0,0,0,0|2,0,0]=4 894 B5R0.1 CC(=O)CCI 1P028RF9 [2,0,0,0,0,0|2,0,0]=4 895 B5R0.1 CC(=O)CCN 1P00I4LI [2,0,0,0,0,0|2,0,0]=4 896 B5R0.1 CC(=O)CCO 1P0034IJ [2,0,0,0,0,0|2,0,0]=4 897 B5R0.1 CC(=O)\C=C\Cl 1P0072VO [2,0,0,0,0,0|2,0,0]=4 898 B5R0.1 CC=CC(=O)C 1P0039SF [2,0,0,0,0,0|1,0,0]=3 899 B5R0.1 CC=CC(=O)N 1P002NE7 [2,0,0,0,0,0|1,0,0]=3 900 B5R0.1 CCCB(O)O 1P0025SU [2,0,0,0,0,0|1,0,1]=4 901 B5R0.1 CCCC(=C)C 1P003I23 [2,0,0,0,0,0|2,0,0]=4 902 B5R0.1 CCCC(=N)N 1P003ABQ [2,0,0,0,0,0|2,0,0]=4 903 B5R0.1 CCCC(=O)C 1P0038PH [2,0,0,0,0,0|1,0,0]=3 904 B5R0.1 CCCC(=O)N 1P003P36 [2,0,0,0,0,0|1,0,0]=3 905 B5R0.1 CCCC(=O)O 1P0038GU [2,0,0,0,0,0|0,0,0]=2 906 B5R0.1 CCCC(=O)[O-] 1P00EBJ7 [2,0,0,0,0,0|0,0,1]=3 907 B5R0.1 CCCC(=O)[O-] 1P01XCJO [2,0,0,0,0,0|0,0,1]=3 908 B5R0.1 CCCC(=S)N 1P001WK6 [2,0,0,0,0,0|1,1,0]=4 909 B5R0.1 CCCC(=S)O 1P003K88 [2,0,0,0,0,0|0,1,0]=3 910 B5R0.1 CCCC(O)C 1P00F3M1 [2,0,0,0,0,0|1,0,1]=4 911 B5R0.1 CCCN(=O)=O 1P003F15 [2,0,0,0,0,0|1,0,1]=4 912 B5R0.1 CCCS(=O)Cl 1P002N6R [2,0,0,0,0,0|2,0,0]=4 913 B5R0.1 CCCS(=O)N 1P01BFYB [2,0,0,0,0,0|2,0,0]=4 914 B5R0.1 CCC[C@@H](O)C 1P002SLB [2,0,0,0,0,0|1,0,1]=4 915 B5R0.1 CCC[C@H](O)C 1P0032K0 [2,0,0,0,0,0|1,0,1]=4 916 B5R0.1 CCNC(=O)C 1P003TGP [2,0,0,0,0,0|2,0,0]=4 917 B5R0.1 CCNC(=O)N 1P0035E0 [2,0,0,0,0,0|2,0,0]=4 918 B5R0.1 CCOC(=O)C 1P001G6Z [2,0,0,0,0,0|2,0,0]=4 919 B5R0.1 CCOC(=O)N 1P003691 [2,0,0,0,0,0|2,0,0]=4 920 B5R0.1 CNCC(=O)N 1P0033CB [2,0,0,0,0,0|2,0,0]=4 921 B5R0.1 CNCC(=O)O 1P003UNZ [2,0,0,0,0,0|1,0,0]=3 922 B5R0.1 CNCC(=O)O 1P003UO1 [2,0,0,0,0,0|1,0,0]=3 923 B5R0.1 COCC(=O)C 1P0035LL [2,0,0,0,0,0|2,0,0]=4 924 B5R0.1 COCC(=O)Cl 1P003RYU [2,0,0,0,0,0|2,0,0]=4 925 B5R0.1 COCC(=O)N 1P001UIN [2,0,0,0,0,0|2,0,0]=4 926 B5R0.1 COCC(=O)O 1P0035LK [2,0,0,0,0,0|1,0,0]=3 927 B5R0.1 CSCC(=O)C 1P001GCU [2,0,0,0,0,0|2,0,0]=4 928 B5R0.1 CSCC(=O)Cl 1P007DQ1 [2,0,0,0,0,0|2,0,0]=4 929 B5R0.1 CSCC(=O)N 1P0039C2 [2,0,0,0,0,0|2,0,0]=4 930 B5R0.1 CSCC(=O)O 1P003CI8 [2,0,0,0,0,0|1,0,0]=3 931 B5R0.1 C\C=C\C(=O)C 1P0032ET [2,0,0,0,0,0|1,0,0]=3 932 B5R0.1 C\C=C\C(=O)Cl 1P00359Z [2,0,0,0,0,0|1,0,0]=3 933 B5R0.1 C\C=C\C(=O)N 1P00EF6M [2,0,0,0,0,0|1,0,0]=3 934 B5R0.1 C\C=C\C(=O)O 1P00353L [2,0,0,0,0,0|0,0,0]=2 935 B5R0.1 C\C=C\C(O)C 1P003KBH [2,0,0,0,0,0|1,0,1]=4 936 B5R0.1 ClC(=O)CCBr 1P003JLT [2,0,0,0,0,0|2,0,0]=4 937 B5R0.1 FCCC(=O)Cl 1P006UO9 [2,0,0,0,0,0|2,0,0]=4 938 B5R0.1 NC(=O)CCBr 1P003919 [2,0,0,0,0,0|2,0,0]=4 939 B5R0.1 NC(=O)CCCl 1P003JS0 [2,0,0,0,0,0|2,0,0]=4 940 B5R0.1 NC(=O)CCO 1P002TZD [2,0,0,0,0,0|2,0,0]=4 941 B5R0.1 NC(=O)CCS 1P0038WG [2,0,0,0,0,0|2,0,0]=4 942 B5R0.1 NC(=O)\C=C/Br 1P028CL9 [2,0,0,0,0,0|2,0,0]=4 943 B5R0.1 NC(=O)\C=C\Cl 1P01EWSO [2,0,0,0,0,0|2,0,0]=4 944 B5R0.1 NCCC(=O)N 1P00E94U [2,0,0,0,0,0|2,0,0]=4 945 B5R0.1 NCCC(=O)O 1P00369Y [2,0,0,0,0,0|1,0,0]=3 946 B5R0.1 NCCP(=O)O 1P028LEE [2,0,0,0,0,0|2,0,0]=4 947 B5R0.1 NCCS(=O)O 1P0035H1 [2,0,0,0,0,0|2,0,0]=4 948 B5R0.1 NNCC(=O)O 1P001GYX [2,0,0,0,0,0|2,0,0]=4 949 B5R0.1 NNCC(=O)O 1P01A6IH [2,0,0,0,0,0|2,0,0]=4 950 B5R0.1 NOCC(=O)O 1P00291K [2,0,0,0,0,0|2,0,0]=4 951 B5R0.1 NOCC(=O)O 1P002Y6G [2,0,0,0,0,0|2,0,0]=4 952 B5R0.1 NOCC(=O)O 1P006TUD [2,0,0,0,0,0|2,0,0]=4 953 B5R0.1 OB(\C=C\C)O 1P0032U0 [2,0,0,0,0,0|1,0,1]=4 954 B5R0.1 OC(=O)C=C=C 1P028O5X [2,0,0,0,0,0|0,0,2]=4 955 B5R0.1 OC(=O)CC#C 1P002NQQ [2,0,0,0,0,0|0,0,2]=4 956 B5R0.1 OC(=O)CC#N 1P00353R [2,0,0,0,0,0|1,0,1]=4 957 B5R0.1 OC(=O)CC#N 1P008VPM [2,0,0,0,0,0|1,0,1]=4 958 B5R0.1 OC(=O)CC=C 1P00369B [2,0,0,0,0,0|0,0,2]=4 959 B5R0.1 OC(=O)CCBr 1P003JLR [2,0,0,0,0,0|1,0,0]=3 960 B5R0.1 OC(=O)CCCl 1P003JS1 [2,0,0,0,0,0|1,0,0]=3 961 B5R0.1 OC(=O)CCF 1P00DG5V [2,0,0,0,0,0|1,0,0]=3 962 B5R0.1 OC(=O)CCI 1P001G70 [2,0,0,0,0,0|1,0,0]=3 963 B5R0.1 OC(=O)CCS 1P00347D [2,0,0,0,0,0|1,0,0]=3 964 B5R0.1 OC(=O)\C=C/Br 1P001VXS [2,0,0,0,0,0|1,0,0]=3 965 B5R0.1 OC(=O)\C=C/Cl 1P001VXR [2,0,0,0,0,0|1,0,0]=3 966 B5R0.1 OC(=O)\C=C/I 1P00E99X [2,0,0,0,0,0|1,0,0]=3 967 B5R0.1 OC(=O)\C=C\Br 1P003CH9 [2,0,0,0,0,0|1,0,0]=3 968 B5R0.1 OC(=O)\C=C\I 1P003CHA [2,0,0,0,0,0|1,0,0]=3 969 B5R0.1 OCCC(=O)O 1P00387S [2,0,0,0,0,0|1,0,0]=3 970 B5R0.1 ONCC(=O)O 1P007CCU [2,0,0,0,0,0|2,0,0]=4 971 B5R0.1 SCCC(=O)O 1P007OUY [2,0,0,0,0,0|1,0,0]=3 972 B5R0.1 [O-]C(=O)CCC 1P001OVQ [2,0,0,0,0,0|0,0,1]=3 973 B5R0.1 [O-]C(=O)CCN 1P001XGH [2,0,0,0,0,0|1,0,1]=4 974 B5R0.1 [O-]C(=O)CCO 1P00EFHM [2,0,0,0,0,0|1,0,1]=4 975 B5R0.1 [O-]C(=O)CNC 1P003UUQ [2,0,0,0,0,0|1,0,1]=4 976 B5R0.1 [O-]C=CC(=O)C 1P028582 [2,0,0,0,0,0|2,0,0]=4 977 B5R0.1 [O-]S(=O)CCC 1P01BCHD [2,0,0,0,0,0|1,0,1]=4 978 B5R0.1 [O-][N+](=O)C=CC 1P00AT3U [2,0,0,0,0,0|1,0,1]=4 979 B5R0.2 BrCCC=C=C 1P028V8I [2,0,0,0,0,0|1,0,1]=4 980 B5R0.2 BrCCCC=C 1P0034NV [2,0,0,0,0,0|1,0,1]=4 981 B5R0.2 BrCCCC=O 1P01A6RF [2,0,0,0,0,0|1,0,1]=4 982 B5R0.2 BrCC\C=C\Br 1P028NCC [2,0,0,0,0,0|2,0,0]=4 983 B5R0.2 CC=CCCBr 1P00DR1G [2,0,0,0,0,0|1,0,1]=4 984 B5R0.2 CC=CCCN 1P01AIX4 [2,0,0,0,0,0|1,0,1]=4 985 B5R0.2 CCC#CC=O 1P01IEPI [2,0,0,0,0,0|0,0,2]=4 986 B5R0.2 CCC=C=CBr 1P028KXN [2,0,0,0,0,0|1,0,1]=4 987 B5R0.2 CCC=CCN 1P01AV04 [2,0,0,0,0,0|1,0,1]=4 988 B5R0.2 CCCCC=O 1P003VQU [2,0,0,0,0,0|0,0,1]=3 989 B5R0.2 CCCCNO 1P01BKUP [2,0,0,0,0,0|1,0,1]=4 990 B5R0.2 CCCOC=C 1P0035ZV [2,0,0,0,0,0|1,0,0]=3 991 B5R0.2 CCNCC=C 1P019XC1 [2,0,0,0,0,0|1,0,1]=4 992 B5R0.2 CCOC=CC 1P003ER0 [2,0,0,0,0,0|1,0,1]=4 993 B5R0.2 CCO\C=C/Br 1P00BCUN [2,0,0,0,0,0|2,0,0]=4 994 B5R0.2 CCSCC=O 1P01AC7G [2,0,0,0,0,0|1,0,1]=4 995 B5R0.2 CC\C=C/CBr 1P005NSO [2,0,0,0,0,0|1,0,1]=4 996 B5R0.2 CC\C=C/CN 1P028U5O [2,0,0,0,0,0|1,0,1]=4 997 B5R0.2 CC\C=C/CO 1P001Q0D [2,0,0,0,0,0|0,0,1]=3 998 B5R0.2 CC\C=C\C=O 1P001Q0F [2,0,0,0,0,0|0,0,0]=2 999 B5R0.2 CNCCC=C 1P01B1UO [2,0,0,0,0,0|1,0,1]=4 1000 B5R0.2 CNCCC=C 1P01DH0V [2,0,0,0,0,0|1,0,1]=4 1001 B5R0.2 COCCC=C 1P01B6VT [2,0,0,0,0,0|1,0,1]=4 1002 B5R0.2 COCCC=O 1P007M22 [2,0,0,0,0,0|1,0,1]=4 1003 B5R0.2 CSCCC=O 1P003IQ1 [2,0,0,0,0,0|1,0,1]=4 1004 B5R0.2 C\C=C\CCBr 1P005EJH [2,0,0,0,0,0|1,0,1]=4 1005 B5R0.2 C\C=C\CCO 1P008QP2 [2,0,0,0,0,0|1,0,1]=4 1006 B5R0.2 ClCCCC=C 1P00GTCI [2,0,0,0,0,0|1,0,1]=4 1007 B5R0.2 ClCCCC=O 1P00EH8M [2,0,0,0,0,0|1,0,1]=4 1008 B5R0.2 ClCCOC=C 1P0083TO [2,0,0,0,0,0|2,0,0]=4 1009 B5R0.2 ICCCC=C 1P005H24 [2,0,0,0,0,0|1,0,1]=4 1010 B5R0.2 NCCC=C=C 1P028WDJ [2,0,0,0,0,0|1,0,1]=4 1011 B5R0.2 NCCCC=C 1P002UI5 [2,0,0,0,0,0|1,0,1]=4 1012 B5R0.2 NCCCC=C 1P00BFBD [2,0,0,0,0,0|1,0,1]=4 1013 B5R0.2 NCC\C=C\Br 1P028WMI [2,0,0,0,0,0|2,0,0]=4 1014 B5R0.2 NC\C=C\C=C 1P01FIJ9 [2,0,0,0,0,0|1,0,1]=4 1015 B5R0.2 OCC=CCO 1P00G3JG [2,0,0,0,0,0|1,0,1]=4 1016 B5R0.2 OCCCC=C 1P004WX4 [2,0,0,0,0,0|1,0,1]=4 1017 B5R0.2 OCCCC=O 1P00BGD0 [2,0,0,0,0,0|1,0,1]=4 1018 B5R0.2 OCCOC=C 1P003QZ8 [2,0,0,0,0,0|2,0,0]=4 1019 B5R0.2 OCCOC=O 1P00EL36 [2,0,0,0,0,0|2,0,0]=4 1020 B5R0.2 OC\C=C/CO 1P0032YH [2,0,0,0,0,0|1,0,1]=4 1021 B5R0.2 OC\C=C\CCl 1P01GA5D [2,0,0,0,0,0|1,0,1]=4 1022 B5R0.2 OC\C=C\CO 1P0033NQ [2,0,0,0,0,0|1,0,1]=4 1023 B7R0.2 CC(CC)CC(=O)O 1P00359B [1,1,0,0,0,0|0,0,1]=3 1024 B7R0.2 CC(CF)CC(=O)O 1P01SVBB [1,1,0,0,0,0|1,0,1]=4 1025 B7R0.2 CC(CN)CC(=O)O 1P01A0Y2 [1,1,0,0,0,0|1,0,1]=4 1026 B7R0.2 CC(NC(=O)N)CC 1P00ICCE [1,1,0,0,0,0|2,0,0]=4 1027 B7R0.2 CC(NC)CC(=O)O 1P001XOH [1,1,0,0,0,0|1,0,1]=4 1028 B7R0.2 CC(OC(=O)Cl)CC 1P0020AG [1,1,0,0,0,0|2,0,0]=4 1029 B7R0.2 CC(OC)CC(=O)O 1P0001T2 [1,1,0,0,0,0|1,0,1]=4 1030 B7R0.2 CC(SC)CC(=O)O 1P00B61I [1,1,0,0,0,0|1,0,1]=4 1031 B7R0.2 CCC(=O)CC(=O)C 1P00BDMU [1,1,0,0,0,0|1,0,1]=4 1032 B7R0.2 CCC(=O)OC(=O)C 1P000VFI [1,1,0,0,0,0|2,0,0]=4 1033 B7R0.2 CCC(CC(=O)C)C 1P0038PR [1,1,0,0,0,0|1,0,1]=4 1034 B7R0.2 CCC(CC(=O)O)N 1P003ANY [1,1,0,0,0,0|0,0,1]=3 1035 B7R0.2 CCC(CC(=O)O)N 1P00AQ4O [1,1,0,0,0,0|0,0,1]=3 1036 B7R0.2 CCC(CC(=O)O)O 1P0007RC [1,1,0,0,0,0|0,0,1]=3 1037 B7R0.2 CCS(=O)CC(=O)O 1P00EEBB [1,1,0,0,0,0|1,0,1]=4 1038 B7R0.2 CC[C@@H](CC(=O)O)N 1P001J1T [1,1,0,0,0,0|0,0,1]=3 1039 B7R0.2 CC[C@@H](CC(=O)O)N 1P01DTYS [1,1,0,0,0,0|0,0,1]=3 1040 B7R0.2 CC[C@@H](CC(=O)O)O 1P01EKL5 [1,1,0,0,0,0|0,0,1]=3 1041 B7R0.2 CC[C@H](CC(=O)O)N 1P00IJD7 [1,1,0,0,0,0|0,0,1]=3 1042 B7R0.2 CC[C@H](CC(=O)O)O 1P01EKMU [1,1,0,0,0,0|0,0,1]=3 1043 B7R0.2 CN(CC)CC(=O)O 1P003AQF [1,1,0,0,0,0|1,0,1]=4 1044 B7R0.2 CN(CC)CC(=O)O 1P028PG4 [1,1,0,0,0,0|1,0,1]=4 1045 B7R0.2 CNC(=O)CC(=O)O 1P00C9G5 [1,1,0,0,0,0|1,0,1]=4 1046 B7R0.2 CO\C(=C/C(=O)C)\C 1P00BW7O [1,1,0,0,0,0|2,0,0]=4 1047 B7R0.2 C[C@@H](CC)CC(=O)O 1P007CFN [1,1,0,0,0,0|0,0,1]=3 1048 B7R0.2 C[C@H](CC)CC(=O)O 1P00AQ4A [1,1,0,0,0,0|0,0,1]=3 1049 B7R0.2 C[C@H](CN)CC(=O)O 1P01BS0C [1,1,0,0,0,0|1,0,1]=4 1050 B7R0.2 C\C(=C/C(=O)O)\CC 1P002C5I [1,1,0,0,0,0|0,0,0]=2 1051 B7R0.2 C\C(=C/C(=O)O)\CN 1P028ZWZ [1,1,0,0,0,0|1,0,0]=3 1052 B7R0.2 C\C(=C\C(=O)O)\C=C 1P01EMNE [1,1,0,0,0,0|0,0,2]=4 1053 B7R0.2 NCC(CC(=O)O)N 1P01AIHR [1,1,0,0,0,0|1,0,1]=4 1054 B7R0.2 NCC(CC(=O)O)O 1P0036KT [1,1,0,0,0,0|1,0,1]=4 1055 B7R0.2 NC[C@@H](CC(=O)O)C 1P01C10F [1,1,0,0,0,0|1,0,1]=4 1056 B7R0.2 NC[C@@H](CC(=O)O)O 1P00FBR6 [1,1,0,0,0,0|1,0,1]=4 1057 B7R0.2 NC[C@H](CC(=O)O)O 1P0032WR [1,1,0,0,0,0|1,0,1]=4 1058 B7R0.2 OC(=O)CC(=O)CCl 1P002V93 [1,1,0,0,0,0|1,0,1]=4 1059 B7R0.2 OCC(CC(=O)O)N 1P00EDPJ [1,1,0,0,0,0|1,0,1]=4 1060 B7R0.2 OC[C@@H](CC(=O)O)N 1P001VOE [1,1,0,0,0,0|1,0,1]=4 1061 B7R0.2 OC[C@H](CC(=O)O)N 1P001VOD [1,1,0,0,0,0|1,0,1]=4 1062 B7R0.2 O[C@H](CF)CC(=O)O 1P029037 [1,1,0,0,0,0|1,0,1]=4 1063 B7R0.2 [O-]C(=O)\C=C(\CO)/C 1P02842A [1,1,0,0,0,0|1,0,1]=4 1064 B7R0.3 CCCCC(=N)NO 1P00650U [1,1,0,0,0,0|1,0,1]=4 1065 B7R0.3 CCCCC(=O)CBr 1P021RD0 [1,1,0,0,0,0|1,0,1]=4 1066 B7R0.3 CCCCC(=O)CC 1P003JZ2 [1,1,0,0,0,0|1,0,1]=4 1067 B7R0.3 CCCCC(=O)CCl 1P0028ST [1,1,0,0,0,0|1,0,1]=4 1068 B7R0.3 CCCCC(=O)CN 1P01HITA [1,1,0,0,0,0|1,0,1]=4 1069 B7R0.3 CCCCC(=O)NN 1P003VQV [1,1,0,0,0,0|1,0,1]=4 1070 B7R0.3 CCCCC(=O)OC 1P003SJO [1,1,0,0,0,0|0,0,1]=3 1071 B7R0.3 CCCNC(=O)C=C 1P002RS9 [1,1,0,0,0,0|2,0,0]=4 1072 B7R0.3 CCCNC(=O)CBr 1P01ANPB [1,1,0,0,0,0|2,0,0]=4 1073 B7R0.3 CCCNC(=O)CC 1P00CZT8 [1,1,0,0,0,0|2,0,0]=4 1074 B7R0.3 CCCNC(=O)CCl 1P001AW7 [1,1,0,0,0,0|2,0,0]=4 1075 B7R0.3 CCCNC(=O)CN 1P00ED4J [1,1,0,0,0,0|2,0,0]=4 1076 B7R0.3 CCCNC(=O)NN 1P019YGA [1,1,0,0,0,0|2,0,0]=4 1077 B7R0.3 CCCOC(=O)C=C 1P003TSC [1,1,0,0,0,0|2,0,0]=4 1078 B7R0.3 CCCOC(=O)CC 1P0035ZU [1,1,0,0,0,0|2,0,0]=4 1079 B7R0.3 CCCOC(=O)OC 1P00E956 [1,1,0,0,0,0|1,0,0]=3 1080 B7R0.3 CCNCC(=O)OC 1P00HCTF [1,1,0,0,0,0|1,0,1]=4 1081 B7R0.3 CCOCC(=O)OC 1P002545 [1,1,0,0,0,0|1,0,1]=4 1082 B7R0.3 CCONC(=O)CO 1P021TGZ [1,1,0,0,0,0|2,0,0]=4 1083 B7R0.3 CCSCC(=O)OC 1P002AX7 [1,1,0,0,0,0|1,0,1]=4 1084 B7R0.3 CC\C=C\C(=O)OC 1P001QA2 [1,1,0,0,0,0|0,0,0]=2 1085 B7R0.3 CNCCC(=O)OC 1P002OYU [1,1,0,0,0,0|1,0,1]=4 1086 B7R0.3 CNCCC(=O)OC 1P00IBX1 [1,1,0,0,0,0|1,0,1]=4 1087 B7R0.3 COC(=O)C=CC=C 1P001NUD [1,1,0,0,0,0|0,0,2]=4 1088 B7R0.3 COC(=O)C=CCBr 1P00EAIU [1,1,0,0,0,0|1,0,0]=3 1089 B7R0.3 COC(=O)CCCBr 1P0035O3 [1,1,0,0,0,0|1,0,1]=4 1090 B7R0.3 COC(=O)CCCCl 1P0034GP [1,1,0,0,0,0|1,0,1]=4 1091 B7R0.3 COC(=O)CCCI 1P003SCF [1,1,0,0,0,0|1,0,1]=4 1092 B7R0.3 COC(=O)CCCN 1P000UR2 [1,1,0,0,0,0|1,0,1]=4 1093 B7R0.3 COC(=O)CCCS 1P00C7YW [1,1,0,0,0,0|1,0,1]=4 1094 B7R0.3 COC(=O)NCCN 1P01C256 [1,1,0,0,0,0|2,0,0]=4 1095 B7R0.3 COC(=O)NCCO 1P01AK5W [1,1,0,0,0,0|2,0,0]=4 1096 B7R0.3 COC(=O)\C=C\C#N 1P01JCBK [1,1,0,0,0,0|1,0,1]=4 1097 B7R0.3 COC(=O)\C=C\C=C 1P01E4CN [1,1,0,0,0,0|0,0,2]=4 1098 B7R0.3 COC(=O)\C=C\C=O 1P003R5P [1,1,0,0,0,0|1,0,1]=4 1099 B7R0.3 COC(=O)\C=C\CBr 1P0039JW [1,1,0,0,0,0|1,0,0]=3 1100 B7R0.3 COC(=O)\C=C\CN 1P01KKZ5 [1,1,0,0,0,0|1,0,0]=3 1101 B7R0.3 COC(=O)\C=C\CO 1P002Z9E [1,1,0,0,0,0|1,0,0]=3 1102 B7R0.3 COC=CC(=O)OC 1P00E9GS [1,1,0,0,0,0|1,0,0]=3 1103 B7R0.3 COCCC(=O)OC 1P003S9I [1,1,0,0,0,0|1,0,1]=4 1104 B7R0.3 COCNC(=O)OC 1P007I6E [1,1,0,0,0,0|2,0,0]=4 1105 B7R0.3 CO\C=C\C(=O)OC 1P0035NO [1,1,0,0,0,0|1,0,0]=3 1106 B7R0.3 CSC=CC(=O)OC 1P01BI6J [1,1,0,0,0,0|1,0,0]=3 1107 B7R0.3 CSCCC(=O)OC 1P003S6K [1,1,0,0,0,0|1,0,1]=4 1108 B7R0.3 NCCCC(=O)NO 1P0282A5 [1,1,0,0,0,0|1,0,1]=4 1109 B7R0.3 NCCNC(=O)CO 1P027UD6 [1,1,0,0,0,0|2,0,0]=4 1110 B7R0.3 NC\C=C\C(=O)OC 1P00IN61 [1,1,0,0,0,0|1,0,0]=3 1111 B7R0.3 OCCNC(=O)CO 1P007ESF [1,1,0,0,0,0|2,0,0]=4 1112 B7R0.5 CC(C(=O)Cl)CCC 1P003I7K [1,1,0,0,0,0|1,0,1]=4 1113 B7R0.5 CC(C(=O)N)CCC 1P00607Q [1,1,0,0,0,0|1,0,1]=4 1114 B7R0.5 CC(C(=O)O)CCC 1P0033V6 [1,1,0,0,0,0|0,0,1]=3 1115 B7R0.5 CC(C(=O)O)CCN 1P007QFU [1,1,0,0,0,0|1,0,1]=4 1116 B7R0.5 CC(C(=O)O)CNC 1P00J2Y9 [1,1,0,0,0,0|1,0,1]=4 1117 B7R0.5 CC(C(=O)O)COC 1P007XM3 [1,1,0,0,0,0|1,0,1]=4 1118 B7R0.5 CC(C(=O)O)CSC 1P00EFBG [1,1,0,0,0,0|1,0,1]=4 1119 B7R0.5 CC(C(=O)O)NCC 1P01DZ09 [1,1,0,0,0,0|1,0,1]=4 1120 B7R0.5 CC(C(=O)O)OCC 1P00I9Y6 [1,1,0,0,0,0|1,0,1]=4 1121 B7R0.5 CC(C(=O)O)SCC 1P002A2O [1,1,0,0,0,0|1,0,1]=4 1122 B7R0.5 CCC=C(C(=O)O)F 1P01C40M [1,1,0,0,0,0|0,0,0]=2 1123 B7R0.5 CCCC(=C)C(=O)Cl 1P005BJY [1,1,0,0,0,0|1,0,0]=3 1124 B7R0.5 CCCC(=C)C(=O)O 1P00EIR9 [1,1,0,0,0,0|0,0,0]=2 1125 B7R0.5 CCCC(=O)C(=O)C 1P003G1L [1,1,0,0,0,0|1,0,0]=3 1126 B7R0.5 CCCC(=O)C(=O)O 1P0023U2 [1,1,0,0,0,0|0,0,0]=2 1127 B7R0.5 CCCC(C(=O)C)Br 1P002ZAM [1,1,0,0,0,0|1,0,1]=4 1128 B7R0.5 CCCC(C(=O)N)Br 1P02852A [1,1,0,0,0,0|1,0,1]=4 1129 B7R0.5 CCCC(C(=O)N)N 1P01B51A [1,1,0,0,0,0|1,0,1]=4 1130 B7R0.5 CCCC(C(=O)O)Br 1P003H9U [1,1,0,0,0,0|0,0,1]=3 1131 B7R0.5 CCCC(C(=O)O)F 1P00B18T [1,1,0,0,0,0|0,0,1]=3 1132 B7R0.5 CCCC(C(=O)O)N 1P0036YR [1,1,0,0,0,0|0,0,1]=3 1133 B7R0.5 CCCC(C(=O)O)O 1P00EBYM [1,1,0,0,0,0|0,0,1]=3 1134 B7R0.5 CCCC(C(=O)O)S 1P00KF9S [1,1,0,0,0,0|0,0,1]=3 1135 B7R0.5 CCC[C@@H](C(=O)N)N 1P0006EZ [1,1,0,0,0,0|1,0,1]=4 1136 B7R0.5 CCC[C@@H](C(=O)O)Br 1P00C8EN [1,1,0,0,0,0|0,0,1]=3 1137 B7R0.5 CCC[C@@H](C(=O)O)N 1P003RTO [1,1,0,0,0,0|0,0,1]=3 1138 B7R0.5 CCC[C@@H](C(=O)O)O 1P00C8CR [1,1,0,0,0,0|0,0,1]=3 1139 B7R0.5 CCC[C@H](C(=O)O)Br 1P01HPLB [1,1,0,0,0,0|0,0,1]=3 1140 B7R0.5 CCC[C@H](C(=O)O)N 1P002DST [1,1,0,0,0,0|0,0,1]=3 1141 B7R0.5 CCC[C@H](C(=O)O)O 1P00CDG2 [1,1,0,0,0,0|0,0,1]=3 1142 B7R0.5 CCNC(=O)C(=O)O 1P00JEDA [1,1,0,0,0,0|1,0,0]=3 1143 B7R0.5 CCOC(=C)C(=O)O 1P01Q8PF [1,1,0,0,0,0|1,0,0]=3 1144 B7R0.5 CCOC(=O)C(=O)C 1P0035DH [1,1,0,0,0,0|2,0,0]=4 1145 B7R0.5 CCOC(=O)C(=O)Cl 1P00DEIK [1,1,0,0,0,0|2,0,0]=4 1146 B7R0.5 CCOC(=O)C(=O)N 1P003QWZ [1,1,0,0,0,0|2,0,0]=4 1147 B7R0.5 CCOC(=O)C(=O)O 1P003QF4 [1,1,0,0,0,0|1,0,0]=3 1148 B7R0.5 CN(C(=O)Cl)CCC 1P00E2CP [1,1,0,0,0,0|2,0,0]=4 1149 B7R0.5 CNC[C@@H](C(=O)O)N 1P001S54 [1,1,0,0,0,0|1,0,1]=4 1150 B7R0.5 CNC[C@@H](C(=O)O)N 1P0290I6 [1,1,0,0,0,0|1,0,1]=4 1151 B7R0.5 COCC(=C)C(=O)O 1P01BF18 [1,1,0,0,0,0|1,0,0]=3 1152 B7R0.5 COCC(C(=O)O)Br 1P00ED9O [1,1,0,0,0,0|1,0,1]=4 1153 B7R0.5 COCC(C(=O)O)Cl 1P003BNM [1,1,0,0,0,0|1,0,1]=4 1154 B7R0.5 COCC(C(=O)O)N 1P00I6NY [1,1,0,0,0,0|1,0,1]=4 1155 B7R0.5 COCC(C(=O)O)N 1P01A5C9 [1,1,0,0,0,0|1,0,1]=4 1156 B7R0.5 COC[C@@H](C(=O)O)N 1P002BNL [1,1,0,0,0,0|1,0,1]=4 1157 B7R0.5 COC[C@@H](C(=O)O)N 1P0037T9 [1,1,0,0,0,0|1,0,1]=4 1158 B7R0.5 COC[C@H](C(=O)O)N 1P0032VH [1,1,0,0,0,0|1,0,1]=4 1159 B7R0.5 COC[C@H](C(=O)O)N 1P004LJ9 [1,1,0,0,0,0|1,0,1]=4 1160 B7R0.5 CONC(=O)C(=O)O 1P028PC4 [1,1,0,0,0,0|2,0,0]=4 1161 B7R0.5 CSCC(C(=O)O)O 1P001OTX [1,1,0,0,0,0|1,0,1]=4 1162 B7R0.5 CSC[C@@H](C(=O)O)N 1P003UQQ [1,1,0,0,0,0|1,0,1]=4 1163 B7R0.5 C[C@@H](C(=O)O)COC 1P027VIC [1,1,0,0,0,0|1,0,1]=4 1164 B7R0.5 C[C@@H](C(=O)O)NCC 1P00ENDL [1,1,0,0,0,0|1,0,1]=4 1165 B7R0.5 C[C@H](C(=O)O)COC 1P01AG1F [1,1,0,0,0,0|1,0,1]=4 1166 B7R0.5 C[C@H](C(=O)O)NCC 1P01J7GU [1,1,0,0,0,0|1,0,1]=4 1167 B7R0.5 C[Se]C[C@@H](C(=O)O)N 1P002RYO [1,1,0,0,0,0|1,0,1]=4 1168 B7R0.5 C\C(=C/C=C)\C(=O)O 1P028VMJ [1,1,0,0,0,0|0,0,2]=4 1169 B7R0.5 C\C(=C/CC)\C(=O)O 1P003I2Q [1,1,0,0,0,0|0,0,0]=2 1170 B7R0.5 C\C(=C/CCl)\C(=O)O 1P01I3DR [1,1,0,0,0,0|1,0,0]=3 1171 B7R0.5 C\C(=N/OC)\C(=O)O 1P01KKJY [1,1,0,0,0,0|2,0,0]=4 1172 B7R0.5 NC(C(=O)O)CCCl 1P028VVG [1,1,0,0,0,0|1,0,1]=4 1173 B7R0.5 NC(C(=O)O)CCF 1P01B2JO [1,1,0,0,0,0|1,0,1]=4 1174 B7R0.5 NC(C(=O)O)CCN 1P0030UF [1,1,0,0,0,0|1,0,1]=4 1175 B7R0.5 NC(C(=O)O)CCS 1P00396E [1,1,0,0,0,0|1,0,1]=4 1176 B7R0.5 NCCC(C(=O)O)F 1P002TO1 [1,1,0,0,0,0|1,0,1]=4 1177 B7R0.5 NCCC(C(=O)O)N 1P003598 [1,1,0,0,0,0|1,0,1]=4 1178 B7R0.5 NCCC(C(=O)O)O 1P0039EQ [1,1,0,0,0,0|1,0,1]=4 1179 B7R0.5 NCC[C@@H](C(=O)O)N 1P002H9V [1,1,0,0,0,0|1,0,1]=4 1180 B7R0.5 NCC[C@@H](C(=O)O)O 1P003CUM [1,1,0,0,0,0|1,0,1]=4 1181 B7R0.5 NCC[C@H](C(=O)O)N 1P000XM3 [1,1,0,0,0,0|1,0,1]=4 1182 B7R0.5 NCC[C@H](C(=O)O)O 1P000EBP [1,1,0,0,0,0|1,0,1]=4 1183 B7R0.5 N[C@@H](C(=O)O)CCN 1P007MVB [1,1,0,0,0,0|1,0,1]=4 1184 B7R0.5 N[C@@H](C(=O)O)CCS 1P00ECTR [1,1,0,0,0,0|1,0,1]=4 1185 B7R0.5 N[C@H](C(=O)O)CCBr 1P003CX0 [1,1,0,0,0,0|1,0,1]=4 1186 B7R0.5 N[C@H](C(=O)O)CCN 1P0021O4 [1,1,0,0,0,0|1,0,1]=4 1187 B7R0.5 N[C@H](C(=O)O)CCN 1P005GDQ [1,1,0,0,0,0|1,0,1]=4 1188 B7R0.5 N[C@H](C(=O)O)CCN 1P00AKKB [1,1,0,0,0,0|1,0,1]=4 1189 B7R0.5 N[C@H](C(=O)O)CCS 1P0037WB [1,1,0,0,0,0|1,0,1]=4 1190 B7R0.5 OC(=O)C(=C)CC=C 1P028JZR [1,1,0,0,0,0|0,0,2]=4 1191 B7R0.5 OC(=O)C(CCBr)Br 1P00IBMF [1,1,0,0,0,0|1,0,1]=4 1192 B7R0.5 OC(=O)C(CCF)Br 1P0291J0 [1,1,0,0,0,0|1,0,1]=4 1193 B7R0.5 OCC[C@@H](C(=O)O)N 1P002GON [1,1,0,0,0,0|1,0,1]=4 1194 B7R0.5 OCC[C@H](C(=O)O)N 1P00355P [1,1,0,0,0,0|1,0,1]=4 1195 B7R0.5 OC\C=C(\C(=O)O)/C 1P028VCA [1,1,0,0,0,0|1,0,0]=3 1196 B7R0.5 [O-]C(=O)C(=O)OCC 1P002F4M [1,1,0,0,0,0|1,0,1]=4 1197 B7R0.6 CC(=C)CCC(=O)O 1P0001EL [1,1,0,0,0,0|0,0,2]=4 1198 B7R0.6 CC(=O)C=CC(=O)O 1P003414 [1,1,0,0,0,0|0,0,1]=3 1199 B7R0.6 CC(=O)CCC(=O)O 1P000KEL [1,1,0,0,0,0|0,0,2]=4 1200 B7R0.6 CC(C#CC(=O)O)C 1P01ANWI [1,1,0,0,0,0|0,0,2]=4 1201 B7R0.6 CC(C#CC(=O)O)N 1P0284K5 [1,1,0,0,0,0|0,0,2]=4 1202 B7R0.6 CC(C=CC(=O)C)C 1P003NC7 [1,1,0,0,0,0|1,0,0]=3 1203 B7R0.6 CC(C=CC(=O)O)C 1P003M70 [1,1,0,0,0,0|0,0,0]=2 1204 B7R0.6 CC(CCC(=O)C)C 1P003NBT [1,1,0,0,0,0|1,0,1]=4 1205 B7R0.6 CC(CCC(=O)C)Cl 1P0007YL [1,1,0,0,0,0|1,0,1]=4 1206 B7R0.6 CC(CCC(=O)Cl)C 1P003M9S [1,1,0,0,0,0|1,0,1]=4 1207 B7R0.6 CC(CCC(=O)Cl)Cl 1P00IBOS [1,1,0,0,0,0|1,0,1]=4 1208 B7R0.6 CC(CCC(=O)N)C 1P007DVM [1,1,0,0,0,0|1,0,1]=4 1209 B7R0.6 CC(CCC(=O)O)Br 1P01A4B3 [1,1,0,0,0,0|0,0,1]=3 1210 B7R0.6 CC(CCC(=O)O)C 1P003M9R [1,1,0,0,0,0|0,0,1]=3 1211 B7R0.6 CC(CCC(=O)O)N 1P001A2N [1,1,0,0,0,0|0,0,1]=3 1212 B7R0.6 CC(CCC(=O)O)N 1P01AKAQ [1,1,0,0,0,0|0,0,1]=3 1213 B7R0.6 CC(CCC(=O)O)O 1P0038KW [1,1,0,0,0,0|0,0,1]=3 1214 B7R0.6 CC(CCC(=O)O)S 1P000P7Q [1,1,0,0,0,0|0,0,1]=3 1215 B7R0.6 CC(CCC(=O)[O-])O 1P003BDK [1,1,0,0,0,0|0,0,2]=4 1216 B7R0.6 CC(CNC(=O)C)O 1P00719V [1,1,0,0,0,0|2,0,0]=4 1217 B7R0.6 CC(CNC(=O)N)C 1P003RJM [1,1,0,0,0,0|2,0,0]=4 1218 B7R0.6 CC(NCC(=O)O)C 1P00C901 [1,1,0,0,0,0|1,0,1]=4 1219 B7R0.6 CC(NCC(=O)O)C 1P019MFH [1,1,0,0,0,0|1,0,1]=4 1220 B7R0.6 CC(OCC(=O)O)C 1P007FU5 [1,1,0,0,0,0|1,0,1]=4 1221 B7R0.6 CC(SCC(=O)O)C 1P006WX6 [1,1,0,0,0,0|1,0,1]=4 1222 B7R0.6 CC(\C=C\C(=O)O)C 1P001XCU [1,1,0,0,0,0|0,0,0]=2 1223 B7R0.6 CC(\C=C\[N+](=O)[O-])C 1P002UV0 [1,1,0,0,0,0|1,0,1]=4 1224 B7R0.6 CN(CCC(=O)O)C 1P001FQ6 [1,1,0,0,0,0|1,0,1]=4 1225 B7R0.6 CN(CCC(=O)O)C 1P00E97T [1,1,0,0,0,0|1,0,1]=4 1226 B7R0.6 CN(\C=C\C(=O)C)C 1P003EQJ [1,1,0,0,0,0|2,0,0]=4 1227 B7R0.6 CS(=O)CCC(=O)O 1P001DGF [1,1,0,0,0,0|1,0,1]=4 1228 B7R0.6 C[C@@H](CCC(=O)O)N 1P028SQ6 [1,1,0,0,0,0|0,0,1]=3 1229 B7R0.6 C[C@H](CCC(=O)O)N 1P01P6YP [1,1,0,0,0,0|0,0,1]=3 1230 B7R0.6 C[C@H](CCC(=O)O)S 1P028IQP [1,1,0,0,0,0|0,0,1]=3 1231 B7R0.6 C[S+](CCC(=O)O)C 1P002KXE [1,1,0,0,0,0|1,0,1]=4 1232 B7R0.6 C[S+](CCC(=O)O)C 1P003C35 [1,1,0,0,0,0|1,0,1]=4 1233 B7R0.6 ClC(CCC(=O)O)Cl 1P01BSXU [1,1,0,0,0,0|1,0,1]=4 1234 B7R0.6 FC(CCC(=O)O)F 1P006BJ8 [1,1,0,0,0,0|1,0,1]=4 1235 B7R0.6 FC(\C=C\C(=O)O)F 1P01DN4R [1,1,0,0,0,0|1,0,0]=3 1236 B7R0.6 NC(=O)\C=C/C(=O)O 1P0035KY [1,1,0,0,0,0|1,0,1]=4 1237 B7R0.6 OC(=O)C=C=C(C)C 1P01GKTU [1,1,0,0,0,0|0,0,2]=4 1238 B7R0.6 OC(=O)CC=C(C)C 1P00389R [1,1,0,0,0,0|0,0,2]=4 1239 B7R0.6 OC(=O)\C=C/C(=O)O 1P0039G6 [1,1,0,0,0,0|1,0,1]=4 1240 B7R0.6 OC(=O)\C=C/C(=O)O 1P003RW7 [1,1,0,0,0,0|1,0,1]=4 1241 B7R0.6 OC(=O)\C=C/C(=O)O 1P00FASS [1,1,0,0,0,0|1,0,1]=4 1242 B7R0.6 OC(=O)\C=C\C(=O)O 1P001G63 [1,1,0,0,0,0|1,0,1]=4 1243 B7R0.6 OC(=O)\C=C\C(=O)O 1P002JTO [1,1,0,0,0,0|1,0,1]=4 1244 B7R0.6 OC(=O)\C=C\C(=O)O 1P0035F6 [1,1,0,0,0,0|1,0,1]=4 1245 B7R0.6 OC(=O)\C=C\C(=O)O 1P00BCCL [1,1,0,0,0,0|1,0,1]=4 1246 B7R0.6 OC(=O)\C=C\C(=O)O 1P00G4L9 [1,1,0,0,0,0|1,0,1]=4 1247 B7R0.6 OC(=O)\C=C\C(=O)O 1P00IM4G [1,1,0,0,0,0|1,0,1]=4 1248 B7R0.6 [O-]C(=O)\C=C/C(=O)O 1P0032HL [1,1,0,0,0,0|1,0,1]=4 1249 B7R0.6 [O-]C(=O)\C=C/C(=O)O 1P00FASU [1,1,0,0,0,0|1,0,1]=4 1250 B7R0.6 [O-]C(=O)\C=C\C(=O)O 1P003UTI [1,1,0,0,0,0|1,0,1]=4 1251 B7R0.8 CCCCP(=O)(O)O 1P003EMI [1,1,0,0,0,0|1,0,1]=4 1252 B7R0.8 CCCOP(=O)(O)C 1P00DB43 [1,1,0,0,0,0|2,0,0]=4 1253 B7R0.1 CCC=CC=CC=O 1P00E9KG [1,1,0,0,0,0|0,0,1]=3 1254 B7R0.1 CCCC=CCCCl 1P01A3F9 [1,1,0,0,0,0|1,0,1]=4 1255 B7R0.1 CCCC=CCCN 1P028EP1 [1,1,0,0,0,0|1,0,1]=4 1256 B7R0.1 CCCCCCC=O 1P003RBK [1,1,0,0,0,0|0,0,2]=4 1257 B7R0.1 CCCCOCC=O 1P002VRW [1,1,0,0,0,0|0,0,2]=4 1258 B7R0.1 CCCC\C=C\C=O 1P002H9Q [1,1,0,0,0,0|0,0,0]=2 1259 B7R0.1 CCC\C=C/CCC 1P003PG3 [1,1,0,0,0,0|1,0,1]=4 1260 B7R0.1 CCC\C=C\CCC 1P001LFZ [1,1,0,0,0,0|1,0,1]=4 1261 B7R0.1 CC\C=C/CCC=O 1P003PFX [1,1,0,0,0,0|0,0,2]=4 1262 B7R0.1 CC\C=C\C=C\C=O 1P003VBB [1,1,0,0,0,0|0,0,1]=3 1263 B7R0.1 COCCC=CCN 1P0287X9 [1,1,0,0,0,0|1,0,1]=4 1264 B7R0.1 COCCCCC=O 1P004U88 [1,1,0,0,0,0|0,0,2]=4 1265 B7R0.1 CSCCCCC=O 1P028FY9 [1,1,0,0,0,0|0,0,2]=4 1266 B7R0.1 ClCCCCCC=O 1P006UWS [1,1,0,0,0,0|0,0,2]=4 1267 B7R0.1 O=CCCCOCC 1P0281KP [1,1,0,0,0,0|0,0,2]=4 1268 B7R0.1 OCCCCCC=O 1P00CLL5 [1,1,0,0,0,0|0,0,2]=4 1269 B7R0.1 OCCC\C=C/CC 1P003PFW [1,1,0,0,0,0|1,0,1]=4 1270 B7R0.1 OC\C=C\C=C\CO 1P01FIG3 [1,1,0,0,0,0|1,0,1]=4 1271 B7R0.7 CC(=CCO)CSC 1P028SVZ [1,1,0,0,0,0|1,0,1]=4 1272 B7R0.7 CCCC(=C)CCO 1P028FMM [1,1,0,0,0,0|0,0,2]=4 1273 B7R0.7 CCCC(CC=O)C 1P002GOG [1,1,0,0,0,0|0,0,2]=4 1274 B7R0.7 CCOC(=O)C=CF 1P01ALA8 [1,1,0,0,0,0|2,0,0]=4 1275 B7R0.7 CCOC(=O)CC=O 1P0037SO [1,1,0,0,0,0|1,0,1]=4 1276 B7R0.7 CCOC(=O)\C=C/Br 1P003QVA [1,1,0,0,0,0|2,0,0]=4 1277 B7R0.7 CCOC(=O)\C=C/Cl 1P001VL0 [1,1,0,0,0,0|2,0,0]=4 1278 B7R0.7 CCOC(=O)\C=C/I 1P003PFH [1,1,0,0,0,0|2,0,0]=4 1279 B7R0.7 CCOC(=O)\C=C\C 1P00IKXM [1,1,0,0,0,0|2,0,0]=4 1280 B7R0.7 CCOC(=O)\C=C\I 1P00C1GJ [1,1,0,0,0,0|2,0,0]=4 1281 B7R0.7 [O-]C=CC(=O)OCC 1P0039OA [1,1,0,0,0,0|1,0,1]=4 1282 B7R0.7 [O-]\C(=C/C#N)\CCC 1P0287PJ [1,1,0,0,0,0|1,0,1]=4 1283 B9R0.4 CCCCC(=O)CC(=O)C 1P001DGE [0,2,0,0,0,0|1,0,1]=4 1284 B9R0.4 CCCCC(=O)OC(=O)C 1P007Z4H [0,2,0,0,0,0|1,0,1]=4 1285 B9R0.4 CCCCC(CC(=O)O)C 1P00DEMS [0,2,0,0,0,0|0,0,2]=4 1286 B9R0.4 CCCCC(CC(=O)O)N 1P003JEA [0,2,0,0,0,0|0,0,2]=4 1287 B9R0.4 CCCCC(CC(=O)O)O 1P0021PJ [0,2,0,0,0,0|0,0,2]=4 1288 B9R0.4 CCCC[C@@H](CC(=O)O)C 1P00E9G5 [0,2,0,0,0,0|0,0,2]=4 1289 B9R0.4 CCCC[C@@H](CC(=O)O)N 1P028ZHI [0,2,0,0,0,0|0,0,2]=4 1290 B9R0.4 CCCC[C@H](CC(=O)O)N 1P01C415 [0,2,0,0,0,0|0,0,2]=4 1291 B9R0.4 CCCNC(CC(=O)O)C 1P01JMXF [0,2,0,0,0,0|0,0,2]=4 1292 B9R0.4 CCCOC(=O)CC(=O)C 1P00262G [0,2,0,0,0,0|1,0,1]=4 1293 B9R0.4 COCCN(CC(=O)O)C 1P00H2CF [0,2,0,0,0,0|1,0,1]=4 1294 B9R0.4 COCCN(CC(=O)O)C 1P00J216 [0,2,0,0,0,0|1,0,1]=4 1295 B9R0.4 COCCN(CC(=O)O)C 1P00J3PW [0,2,0,0,0,0|1,0,1]=4 1296 B9R0.4 CSCC[C@@H](CC(=O)O)N 1P0059MX [0,2,0,0,0,0|0,0,2]=4 1297 B9R0.4 CSCC[C@@H](CC(=O)O)N 1P00C7Q2 [0,2,0,0,0,0|0,0,2]=4 1298 B9R0.4 CSCC[C@@H](CC(=O)O)O 1P0288US [0,2,0,0,0,0|0,0,2]=4 1299 B9R0.4 CSCC[C@H](CC(=O)O)N 1P01KL8J [0,2,0,0,0,0|0,0,2]=4 1300 B9R0.4 CSCC[C@H](CC(=O)O)O 1P028ZRH [0,2,0,0,0,0|0,0,2]=4 1301 B9R0.4 NC(=O)NC(=O)CCCCl 1P019Y6L [0,2,0,0,0,0|2,0,0]=4 1302 B9R0.4 NCCCC(=O)NC(=O)N 1P01A0F9 [0,2,0,0,0,0|2,0,0]=4 1303 B9R0.4 NCCCC(CC(=O)O)N 1P027RZB [0,2,0,0,0,0|0,0,2]=4 1304 B9R0.4 NCCC[C@@H](CC(=O)O)N 1P01BJRD [0,2,0,0,0,0|0,0,2]=4 1305 B9R0.4 SCCNC(=O)CC(=O)O 1P0288XI [0,2,0,0,0,0|1,0,1]=4 1306 B9R0.6 CC(C(=O)O)C(=O)OCC 1P00BI6S [0,2,0,0,0,0|1,0,1]=4 1307 B9R0.6 CC(C(C(=O)O)N)CCC 1P00EBTL [0,2,0,0,0,0|0,0,2]=4 1308 B9R0.6 CC(C(C(=O)O)N)CCC 1P0293HN [0,2,0,0,0,0|0,0,2]=4 1309 B9R0.6 CCCC(C(C(=O)O)N)O 1P01ADO4 [0,2,0,0,0,0|0,0,2]=4 1310 B9R0.6 CCCC(C(C(=O)O)N)O 1P02819B [0,2,0,0,0,0|0,0,2]=4 1311 B9R0.14 CCCC(CC(=O)O)C=C 1P01DS36 [0,2,0,0,0,0|0,0,2]=4 1312 B9R0.14 CCCC(CC(=O)O)CC 1P00C0N9 [0,2,0,0,0,0|0,0,2]=4 1313 B9R0.23 CC(C(CC(=O)O)O)CC 1P0291JV [0,2,0,0,0,0|0,0,2]=4 1314 B9R0.23 CCC(C(=O)CC(=O)C)C 1P01I160 [0,2,0,0,0,0|1,0,1]=4 1315 B9R0.34 CCCC(=O)CC(=O)OC 1P0030IK [0,2,0,0,0,0|0,0,1]=3 1316 B9R0.34 CCCC(=O)OC(=O)CC 1P01EJ68 [0,2,0,0,0,0|2,0,0]=4 1317 B9R0.34 CCCC(CC(=O)OC)N 1P01A4H2 [0,2,0,0,0,0|0,0,2]=4 1318 B9R0.34 CCCC(CC(=O)OC)O 1P003S95 [0,2,0,0,0,0|0,0,2]=4 1319 B9R0.34 CCC[C@@H](CC(=O)OC)N 1P01FJUB [0,2,0,0,0,0|0,0,2]=4 1320 B9R0.34 CCC[C@H](CC(=O)OC)N 1P01FJU4 [0,2,0,0,0,0|0,0,2]=4 1321 B9R0.34 CCC[C@H](CC(=O)OC)O 1P0083AN [0,2,0,0,0,0|0,0,2]=4 1322 B9R0.34 CCOC(=O)CC(=O)OC 1P01HVF3 [0,2,0,0,0,0|1,0,1]=4 1323 B9R0.34 CCOC(=O)\C=C(\CO)/C 1P01GXZA [0,2,0,0,0,0|2,0,0]=4 1324 B9R0.34 COCC(=CC(=O)OC)C 1P0288U6 [0,2,0,0,0,0|1,0,0]=3 1325 B9R0.34 COCC(=O)CC(=O)OC 1P00I8I0 [0,2,0,0,0,0|1,0,1]=4 1326 B9R0.34 C\C(=C/C(=O)OCC)\C=O 1P0035BN [0,2,0,0,0,0|2,0,0]=4 1327 B9R0.53 CC(CC(CC(=O)O)C)C 1P00EG1D [0,2,0,0,0,0|0,0,2]=4 1328 B9R0.53 CC(CC(CC(=O)O)N)C 1P0003JH [0,2,0,0,0,0|0,0,2]=4 1329 B9R0.53 CC(CC(CC(=O)O)N)C 1P003JDB [0,2,0,0,0,0|0,0,2]=4 1330 B9R0.53 CC(CC(CC(=O)O)O)C 1P00CZ4R [0,2,0,0,0,0|0,0,2]=4 1331 B9R0.53 CC(C[C@@H](CC(=O)O)N)C 1P003RP6 [0,2,0,0,0,0|0,0,2]=4 1332 B9R0.53 CC(C[C@@H](CC(=O)O)N)C 1P007O5X [0,2,0,0,0,0|0,0,2]=4 1333 B9R0.53 CC(C[C@@H](CC(=O)O)O)C 1P0288QD [0,2,0,0,0,0|0,0,2]=4 1334 B9R0.53 CC(C[C@H](CC(=O)O)N)C 1P000XNZ [0,2,0,0,0,0|0,0,2]=4 1335 B9R0.53 CC(C[C@H](CC(=O)O)N)C 1P006D2D [0,2,0,0,0,0|0,0,2]=4 1336 B9R0.53 CC(C[C@H](CC(=O)O)O)C 1P0288Q6 [0,2,0,0,0,0|0,0,2]=4 1337 B9R0.53 OC(=O)C\C(=C\C(=O)O)\C 1P00EDMN [0,2,0,0,0,0|1,0,1]=4 1338 B9R0.58 CCCC(CC(=O)O)(C)C 1P006AU5 [0,2,0,0,0,0|0,0,2]=4 1339 B9R0.58 CCCC(CC(=O)O)(O)C 1P00347T [0,2,0,0,0,0|0,0,2]=4 1340 B9R0.58 CCCS(=O)(=O)CC(=O)O 1P019X27 [0,2,0,0,0,0|1,0,1]=4 1341 B9R0.1 CCC(CCCC(=O)O)C 1P007TWS [0,2,0,0,0,0|0,0,2]=4 1342 B9R0.1 CN(CC)CC=CC(=O)O 1P027XTK [0,2,0,0,0,0|0,0,0]=2 1343 B9R0.1 COC(=O)CCCC(Br)C 1P021RUB [0,2,0,0,0,0|0,0,2]=4 1344 B9R0.1 COC(=O)CNCC(C)C 1P019ZYQ [0,2,0,0,0,0|1,0,1]=4 1345 B9R0.1 COC(=O)\C=C\CC(C)C 1P003SEO [0,2,0,0,0,0|0,0,0]=2 1346 B9R0.1 COC(=O)\C=C\CN(C)C 1P00C334 [0,2,0,0,0,0|1,0,0]=3 1347 B9R0.5 BrCC\C=C\C(=O)OCC 1P01XFO1 [0,2,0,0,0,0|1,0,0]=3 1348 B9R0.5 CCCCCC(=O)OC=C 1P0030VB [0,2,0,0,0,0|0,0,2]=4 1349 B9R0.5 CCCCCC(=O)OCC 1P000KDJ [0,2,0,0,0,0|0,0,2]=4 1350 B9R0.5 CCCCOC(=O)COC 1P002548 [0,2,0,0,0,0|1,0,1]=4 1351 B9R0.5 CCCCOC(=O)CON 1P01B5IP [0,2,0,0,0,0|1,0,1]=4 1352 B9R0.5 CCCCOC(=O)OCCl 1P00EM35 [0,2,0,0,0,0|1,0,1]=4 1353 B9R0.5 CCCNCC(=O)OCC 1P00CUGW [0,2,0,0,0,0|1,0,1]=4 1354 B9R0.5 CCC\C=C\C(=O)OCC 1P002VBW [0,2,0,0,0,0|0,0,0]=2 1355 B9R0.5 CCOC(=O)\C=C\C=C\C 1P0035DI [0,2,0,0,0,0|0,0,2]=4 1356 B9R0.5 CCOC=CC(=O)OCC 1P0001DZ [0,2,0,0,0,0|1,0,0]=3 1357 B9R0.5 CCO\C=C\C(=O)OCC 1P00EITW [0,2,0,0,0,0|1,0,0]=3 1358 B9R0.5 CC\C=C\CC(=O)OCC 1P003QOE [0,2,0,0,0,0|0,0,2]=4 1359 B9R0.5 CNC\C=C\C(=O)OCC 1P028DSM [0,2,0,0,0,0|1,0,0]=3 1360 B9R0.5 OCC\C=C\C(=O)OCC 1P000UT3 [0,2,0,0,0,0|1,0,0]=3 1361 B9R0.8 CCC=CC(C(=O)OC)O 1P01C2MC [0,2,0,0,0,0|0,0,2]=4 1362 B9R0.8 CCCCC(=O)C(=O)OC 1P00EZRF [0,2,0,0,0,0|0,0,1]=3 1363 B9R0.8 CCCCC(C(=O)NO)N 1P0018PW [0,2,0,0,0,0|0,0,2]=4 1364 B9R0.8 CCCCC(C(=O)OC)Br 1P003S3T [0,2,0,0,0,0|0,0,2]=4 1365 B9R0.8 CCCCC(C(=O)OC)N 1P00G2YS [0,2,0,0,0,0|0,0,2]=4 1366 B9R0.8 CCCCC(C(=O)OC)S 1P01BGU4 [0,2,0,0,0,0|0,0,2]=4 1367 B9R0.8 CCCC[C@@H](C(=O)OC)N 1P0038ET [0,2,0,0,0,0|0,0,2]=4 1368 B9R0.8 CCCC[C@H](C(=O)OC)N 1P00EE4E [0,2,0,0,0,0|0,0,2]=4 1369 B9R0.8 CCCNC(C(=O)OC)C 1P01C837 [0,2,0,0,0,0|1,0,1]=4 1370 B9R0.8 CCCNC(C(=O)OC)C 1P01FKV4 [0,2,0,0,0,0|1,0,1]=4 1371 B9R0.8 COC(=O)C(=O)CCCCl 1P01BABN [0,2,0,0,0,0|1,0,1]=4 1372 B9R0.8 COCCC(=C)C(=O)OC 1P0290DG [0,2,0,0,0,0|1,0,1]=4 1373 B9R0.24 CCC(CCC(=O)OC)N 1P01FJTT [0,2,0,0,0,0|0,0,2]=4 1374 B9R0.24 CCC(NCC(=O)OC)C 1P01A2BK [0,2,0,0,0,0|1,0,1]=4 1375 B9R0.24 CCC(SCC(=O)OC)C 1P01FE4K [0,2,0,0,0,0|1,0,1]=4 1376 B9R0.24 COC(=O)\C=C/C(=O)OC 1P003Q2T [0,2,0,0,0,0|1,0,1]=4 1377 B9R0.24 COC(=O)\C=C\C(=O)OC 1P003Q2Q [0,2,0,0,0,0|1,0,1]=4 1378 B9R0.46 BrCCCCCC(=O)OC 1P0035OX [0,2,0,0,0,0|0,0,2]=4 1379 B9R0.46 BrCCCOCC(=O)OC 1P01DF0P [0,2,0,0,0,0|1,0,1]=4 1380 B9R0.46 BrC\C=C\C=C\C(=O)OC 1P006V7C [0,2,0,0,0,0|0,0,2]=4 1381 B9R0.46 CCCCCCC(=O)OC 1P003SH2 [0,2,0,0,0,0|0,0,2]=4 1382 B9R0.46 CCCSC=CC(=O)OC 1P01C4A0 [0,2,0,0,0,0|0,0,0]=2 1383 B9R0.46 CCNCCCC(=O)OC 1P00I3RR [0,2,0,0,0,0|0,0,2]=4 1384 B9R0.46 CNCCCCC(=O)OC 1P01BUQ7 [0,2,0,0,0,0|0,0,2]=4 1385 B9R0.46 COC(=O)OCCCCO 1P0293HH [0,2,0,0,0,0|1,0,1]=4 1386 B9R0.46 COCCNCC(=O)OC 1P01AIJ9 [0,2,0,0,0,0|1,0,1]=4 1387 B9R0.46 COCCOCC(=O)OC 1P01SHN6 [0,2,0,0,0,0|1,0,1]=4 1388 B9R0.46 COCCSCC(=O)OC 1P01FBVI [0,2,0,0,0,0|1,0,1]=4 1389 B9R0.46 CSCCC=CC(=O)OC 1P028PHL [0,2,0,0,0,0|0,0,0]=2 1390 B9R0.46 CSCCCNC(=O)OC 1P028VXI [0,2,0,0,0,0|1,0,1]=4 1391 B9R0.46 ClCCCSCC(=O)OC 1P00IBI3 [0,2,0,0,0,0|1,0,1]=4 1392 B9R0.46 NCCCCCC(=O)OC 1P002GL6 [0,2,0,0,0,0|0,0,2]=4 1393 B9R0.46 OCCCCCC(=O)OC 1P00I8Z9 [0,2,0,0,0,0|0,0,2]=4 1394 B9R0.46 OCCCOCC(=O)OC 1P01JM3Y [0,2,0,0,0,0|1,0,1]=4 1395 B9R0.46 SCCCCCC(=O)OC 1P002JLK [0,2,0,0,0,0|0,0,2]=4 1396 B9R0.47 BrCCCCC(C(=O)O)Br 1P000WHK [0,2,0,0,0,0|0,0,2]=4 1397 B9R0.47 CC(C(=O)O)OCCCC 1P001E99 [0,2,0,0,0,0|0,0,2]=4 1398 B9R0.47 CC(C(=O)O)OCCOC 1P01AISP [0,2,0,0,0,0|1,0,1]=4 1399 B9R0.47 CC(C(=O)O)SCCCC 1P004B9H [0,2,0,0,0,0|0,0,2]=4 1400 B9R0.47 CCCC=CC(C(=O)O)O 1P01BW24 [0,2,0,0,0,0|0,0,0]=2 1401 B9R0.47 CCCCCC(=O)C(=O)O 1P000VJ8 [0,2,0,0,0,0|0,0,1]=3 1402 B9R0.47 CCCCCC(C(=O)O)C 1P003I62 [0,2,0,0,0,0|0,0,2]=4 1403 B9R0.47 CCCCCC(C(=O)O)F 1P001Q6O [0,2,0,0,0,0|0,0,2]=4 1404 B9R0.47 CCCCCC(C(=O)O)N 1P003H03 [0,2,0,0,0,0|0,0,2]=4 1405 B9R0.47 CCCCCC(C(=O)O)O 1P00EZ41 [0,2,0,0,0,0|0,0,2]=4 1406 B9R0.47 CCCCC[C@@H](C(=O)O)N 1P00DCUE [0,2,0,0,0,0|0,0,2]=4 1407 B9R0.47 CCCCC[C@H](C(=O)O)N 1P0037WI [0,2,0,0,0,0|0,0,2]=4 1408 B9R0.47 CCCCOC(=O)C(=O)N 1P003TZ8 [0,2,0,0,0,0|1,0,1]=4 1409 B9R0.47 CCCCOC(=O)C(O)C 1P0018A3 [0,2,0,0,0,0|1,0,1]=4 1410 B9R0.47 CCCSCC(C(=O)O)N 1P019VBS [0,2,0,0,0,0|0,0,2]=4 1411 B9R0.47 CCO\C=C\C(=O)C(F)F 1P00BOJ5 [0,2,0,0,0,0|2,0,0]=4 1412 B9R0.47 CCSCCC(=O)C(=O)[O-] 1P027WKX [0,2,0,0,0,0|0,0,2]=4 1413 B9R0.47 CCSCCC(C(=O)O)N 1P005QP7 [0,2,0,0,0,0|0,0,2]=4 1414 B9R0.47 CCSCC[C@@H](C(=O)O)N 1P000VD0 [0,2,0,0,0,0|0,0,2]=4 1415 B9R0.47 CCSCC[C@H](C(=O)O)N 1P003PQH [0,2,0,0,0,0|0,0,2]=4 1416 B9R0.47 CC[Se]CCC(C(=O)O)N 1P00C2XO [0,2,0,0,0,0|0,0,2]=4 1417 B9R0.47 COCCCC(C(=O)O)C 1P01A5J6 [0,2,0,0,0,0|0,0,2]=4 1418 B9R0.47 COCCCC(C(=O)O)N 1P01A0OO [0,2,0,0,0,0|0,0,2]=4 1419 B9R0.47 COCCNC(=O)C(=O)O 1P019XTH [0,2,0,0,0,0|1,0,0]=3 1420 B9R0.47 CSCCCC(C(=O)O)N 1P028FLE [0,2,0,0,0,0|0,0,2]=4 1421 B9R0.47 NCCCCC(C(=O)O)N 1P003QAT [0,2,0,0,0,0|0,0,2]=4 1422 B9R0.47 NCCCCC(C(=O)O)N 1P003QAU [0,2,0,0,0,0|0,0,2]=4 1423 B9R0.47 NCCCCC(C(=O)O)N 1P005IL6 [0,2,0,0,0,0|0,0,2]=4 1424 B9R0.47 NCCCC[C@@H](C(=O)O)N 1P002CX7 [0,2,0,0,0,0|0,0,2]=4 1425 B9R0.47 NCCCC[C@@H](C(=O)O)N 1P0032XE [0,2,0,0,0,0|0,0,2]=4 1426 B9R0.47 NCCCC[C@@H](C(=O)O)N 1P003RTC [0,2,0,0,0,0|0,0,2]=4 1427 B9R0.47 NCCCC[C@@H](C(=O)O)N 1P003RTF [0,2,0,0,0,0|0,0,2]=4 1428 B9R0.47 NCCCC[C@@H](C(=O)O)N 1P00I5NB [0,2,0,0,0,0|0,0,2]=4 1429 B9R0.47 NCCCC[C@@H](C(=O)O)N 1P00IBZD [0,2,0,0,0,0|0,0,2]=4 1430 B9R0.47 NCCCC[C@@H](C(=O)O)O 1P028WEV [0,2,0,0,0,0|0,0,2]=4 1431 B9R0.47 NCCCC[C@H](C(=O)O)N 1P003QBH [0,2,0,0,0,0|0,0,2]=4 1432 B9R0.47 NCCCC[C@H](C(=O)O)N 1P003QBI [0,2,0,0,0,0|0,0,2]=4 1433 B9R0.47 OCCCC[C@H](C(=O)O)N 1P01B5HC [0,2,0,0,0,0|0,0,2]=4 1434 B9R0.47 [O-]C(=O)C(=O)OCCCC 1P0014UE [0,2,0,0,0,0|0,0,2]=4 1435 B9R0.2 BrCCCCCCC(=O)O 1P0030VL [0,2,0,0,0,0|0,0,2]=4 1436 B9R0.2 C#CCCCCCC(=O)O 1P0086N4 [0,2,0,0,0,0|0,0,2]=4 1437 B9R0.2 C#CCCCOCC(=O)O 1P028IL8 [0,2,0,0,0,0|1,0,1]=4 1438 B9R0.2 C=CCCCCCC(=O)O 1P003TWM [0,2,0,0,0,0|0,0,2]=4 1439 B9R0.2 C=CC\C=C\CCC(=O)O 1P028Z1J [0,2,0,0,0,0|0,0,2]=4 1440 B9R0.2 CCCC=CC=CC(=O)C 1P028NTR [0,2,0,0,0,0|1,0,0]=3 1441 B9R0.2 CCCCC#CCC(=O)O 1P0202F5 [0,2,0,0,0,0|0,0,2]=4 1442 B9R0.2 CCCCCC#CC(=O)O 1P003IAH [0,2,0,0,0,0|0,0,2]=4 1443 B9R0.2 CCCCCCCC(=O)O 1P000LTK [0,2,0,0,0,0|0,0,2]=4 1444 B9R0.2 CCCCCCCC(=O)O 1P0084UG [0,2,0,0,0,0|0,0,2]=4 1445 B9R0.2 CCCCCCCC(=O)O 1P00C261 [0,2,0,0,0,0|0,0,2]=4 1446 B9R0.2 CCCCCCC[13C](=O)O 1P00EB19 [0,2,0,0,0,0|0,0,2]=4 1447 B9R0.2 CCCCCOCC(=O)O 1P01A8CF [0,2,0,0,0,0|0,0,2]=4 1448 B9R0.2 CCCCC\C=C\B(O)O 1P00EC3G [0,2,0,0,0,0|1,0,1]=4 1449 B9R0.2 CCCCC\C=C\C(=O)C 1P00348G [0,2,0,0,0,0|1,0,0]=3 1450 B9R0.2 CCCCC\C=C\C(=O)O 1P003VDD [0,2,0,0,0,0|0,0,0]=2 1451 B9R0.2 CCCCOCCC(=O)O 1P00FNFX [0,2,0,0,0,0|0,0,2]=4 1452 B9R0.2 CCCCSCCC(=O)O 1P00C2MV [0,2,0,0,0,0|0,0,2]=4 1453 B9R0.2 CCCOCCCC(=O)O 1P028OX8 [0,2,0,0,0,0|0,0,2]=4 1454 B9R0.2 CCC\C=C/CCC(=O)O 1P007SQR [0,2,0,0,0,0|0,0,0]=2 1455 B9R0.2 CCC\C=C\C=C\C(=O)O 1P006ZC7 [0,2,0,0,0,0|0,0,0]=2 1456 B9R0.2 CCC\C=C\COC(=O)C 1P002QI7 [0,2,0,0,0,0|1,0,0]=3 1457 B9R0.2 CCNCCCCC(=O)O 1P01BKR1 [0,2,0,0,0,0|0,0,2]=4 1458 B9R0.2 CCOCCCCC(=O)O 1P024HT6 [0,2,0,0,0,0|0,0,2]=4 1459 B9R0.2 CCOCCOCC(=O)O 1P0053WB [0,2,0,0,0,0|0,0,2]=4 1460 B9R0.2 CNCCCCCC(=O)O 1P0016VD [0,2,0,0,0,0|0,0,2]=4 1461 B9R0.2 COCCCCCC(=O)O 1P00C9GI [0,2,0,0,0,0|0,0,2]=4 1462 B9R0.2 COCCNCCC(=O)O 1P01AH75 [0,2,0,0,0,0|0,0,2]=4 1463 B9R0.2 COCCNCCC(=O)O 1P028TR2 [0,2,0,0,0,0|0,0,2]=4 1464 B9R0.2 COCCOCCC(=O)O 1P001MAZ [0,2,0,0,0,0|0,0,2]=4 1465 B9R0.2 CSCCCCCC(=O)O 1P01IG8G [0,2,0,0,0,0|0,0,2]=4 1466 B9R0.2 C\C=C\CCCCC(=O)O 1P00LTUI [0,2,0,0,0,0|0,0,2]=4 1467 B9R0.2 ClCCCSCCC(=O)O 1P01BH4X [0,2,0,0,0,0|0,0,2]=4 1468 B9R0.2 N#CCCCCCC(=O)O 1P01BBNY [0,2,0,0,0,0|0,0,2]=4 1469 B9R0.2 NCCCCCCC(=O)O 1P003NTK [0,2,0,0,0,0|0,0,2]=4 1470 B9R0.2 NCCCCCCC(=O)O 1P003NTM [0,2,0,0,0,0|0,0,2]=4 1471 B9R0.2 NCCCC\C=C\C(=O)O 1P028PA8 [0,2,0,0,0,0|0,0,0]=2 1472 B9R0.2 NCCCOCCC(=O)O 1P027U5J [0,2,0,0,0,0|0,0,2]=4 1473 B9R0.2 NOCCCCCC(=O)O 1P01A44Q [0,2,0,0,0,0|0,0,2]=4 1474 B9R0.2 OCCCCCCC(=O)O 1P0034V2 [0,2,0,0,0,0|0,0,2]=4 1475 B9R0.2 OCCCCNCC(=O)O 1P00I01L [0,2,0,0,0,0|0,0,2]=4 1476 B9R0.2 OCCCNCCC(=O)O 1P0284KH [0,2,0,0,0,0|0,0,2]=4 1477 B9R0.2 OCCNCCCC(=O)O 1P01DXNP [0,2,0,0,0,0|0,0,2]=4 1478 B9R0.2 SCCCCCCC(=O)O 1P00E2S1 [0,2,0,0,0,0|0,0,2]=4 1479 B9R0.48 CC(OCC)CCC(=O)O 1P024SFD [0,2,0,0,0,0|0,0,2]=4 1480 B9R0.48 CCCC(=O)CCC(=O)C 1P00399S [0,2,0,0,0,0|1,0,1]=4 1481 B9R0.48 CCCC(=O)CCC(=O)O 1P0065J5 [0,2,0,0,0,0|0,0,1]=3 1482 B9R0.48 CCCC(=O)NCC(=O)N 1P01DWZP [0,2,0,0,0,0|1,0,1]=4 1483 B9R0.48 CCCC(=O)NCC(=O)O 1P0028IS [0,2,0,0,0,0|0,0,1]=3 1484 B9R0.48 CCCN(CCC(=O)O)C 1P01ABCF [0,2,0,0,0,0|0,0,2]=4 1485 B9R0.48 CCNC(=O)CCC(=O)O 1P01AB1G [0,2,0,0,0,0|1,0,1]=4 1486 B9R0.48 CCNC(=S)NCC(=O)O 1P00AH7Q [0,2,0,0,0,0|1,0,1]=4 1487 B9R0.48 CCOC(=O)CCC(=O)O 1P0035QH [0,2,0,0,0,0|1,0,1]=4 1488 B9R0.48 CCOC(=O)NCC(=O)O 1P019N08 [0,2,0,0,0,0|1,0,1]=4 1489 B9R0.48 CCOC(=O)\C=C/C(=O)O 1P003SM8 [0,2,0,0,0,0|0,0,1]=3 1490 B9R0.48 CCOC(=O)\C=C\C(=O)C 1P00054H [0,2,0,0,0,0|1,0,1]=4 1491 B9R0.48 CCOC(=O)\C=C\C(=O)Cl 1P003QVR [0,2,0,0,0,0|1,0,1]=4 1492 B9R0.48 CCOC(=O)\C=C\C(=O)O 1P002P5C [0,2,0,0,0,0|0,0,1]=3 1493 B9R0.48 CCOC(=O)\C=C\C(=O)[O-] 1P003R5R [0,2,0,0,0,0|0,0,2]=4 1494 B9R0.48 COCC(NCC(=O)O)C 1P01ABIZ [0,2,0,0,0,0|1,0,1]=4 1495 B9R0.48 NCCC(=O)NCC(=O)O 1P01BG3Y [0,2,0,0,0,0|1,0,1]=4 1496 B9R0.55 CC(=O)CCCCC(=O)O 1P0034N3 [0,2,0,0,0,0|0,0,2]=4 1497 B9R0.55 CC(CCCCC(=O)O)C 1P00GS4R [0,2,0,0,0,0|0,0,2]=4 1498 B9R0.55 CC(CCCCC(=O)O)N 1P01AJKO [0,2,0,0,0,0|0,0,2]=4 1499 B9R0.55 CC(CCOCC(=O)O)C 1P006C8E [0,2,0,0,0,0|0,0,2]=4 1500 B9R0.55 CC(CCSCC(=O)O)C 1P019XPV [0,2,0,0,0,0|0,0,2]=4 1501 B9R0.55 CC(CC\C=C\C(=O)O)C 1P028B0G [0,2,0,0,0,0|0,0,0]=2 1502 B9R0.55 CC(CNCCC(=O)O)C 1P019VWL [0,2,0,0,0,0|0,0,2]=4 1503 B9R0.55 CC(COCCC(=O)O)C 1P019NR0 [0,2,0,0,0,0|0,0,2]=4 1504 B9R0.55 CC(CSCCC(=O)O)C 1P00BV6K [0,2,0,0,0,0|0,0,2]=4 1505 B9R0.55 CC(NCCCC(=O)O)C 1P019L2M [0,2,0,0,0,0|0,0,2]=4 1506 B9R0.55 CC(\C=C\CCC(=O)O)C 1P028OBZ [0,2,0,0,0,0|0,0,2]=4 1507 B9R0.55 CN(CCCCC(=O)O)C 1P003MO1 [0,2,0,0,0,0|0,0,2]=4 1508 B9R0.55 CN(CCCCC(=O)O)C 1P00IGBJ [0,2,0,0,0,0|0,0,2]=4 1509 B9R0.55 CN(CCNCC(=O)O)C 1P006XOB [0,2,0,0,0,0|1,0,1]=4 1510 B9R0.55 CN(CCOCC(=O)O)C 1P01DXED [0,2,0,0,0,0|1,0,1]=4 1511 B9R0.55 CN(CCSCC(=O)O)C 1P01E2GY [0,2,0,0,0,0|1,0,1]=4 1512 B9R0.55 FC(CCCCC(=O)O)F 1P020JIP [0,2,0,0,0,0|0,0,2]=4 1513 B9R0.55 OC(=O)CCC=CC(=O)O 1P00DKDG [0,2,0,0,0,0|0,0,1]=3 1514 B9R0.55 OC(=O)CCCOC(C)C 1P01A6TS [0,2,0,0,0,0|0,0,2]=4 1515 B9R0.55 OC(=O)CC\C=C\C(=O)O 1P01A26I [0,2,0,0,0,0|0,0,1]=3 1516 B9R0.55 OC(=O)C\C=C\CC(=O)O 1P003VCP [0,2,0,0,0,0|1,0,1]=4 1517 B9R0.7 BrC(C(=O)O)CCC(C)C 1P01C1OK [0,2,0,0,0,0|0,0,2]=4 1518 B9R0.7 CC(C(=O)O)CCC(C)C 1P00K362 [0,2,0,0,0,0|0,0,2]=4 1519 B9R0.7 CC(C(=O)O)OCC(C)C 1P019NLD [0,2,0,0,0,0|1,0,1]=4 1520 B9R0.7 CC(CCC(=O)C(=O)O)C 1P01C5LE [0,2,0,0,0,0|0,0,1]=3 1521 B9R0.7 CC(CNC(=O)C(=O)O)C 1P005DBN [0,2,0,0,0,0|1,0,0]=3 1522 B9R0.7 CC(OCC(=C)C(=O)O)C 1P02894O [0,2,0,0,0,0|1,0,1]=4 1523 B9R0.7 CN(C(=O)\C=C/C(=O)O)C 1P01BU7K [0,2,0,0,0,0|1,0,1]=4 1524 B9R0.7 CN(C(=O)\C=C\C(=O)O)C 1P01E9AD [0,2,0,0,0,0|1,0,1]=4 1525 B9R0.7 CN(CCC(=C)C(=O)O)C 1P01B7FD [0,2,0,0,0,0|1,0,1]=4 1526 B9R0.7 FC(C(=O)O)CCC(C)C 1P01FNJ9 [0,2,0,0,0,0|0,0,2]=4 1527 B9R0.7 FC(CNC(=O)C(=O)O)F 1P01A5R3 [0,2,0,0,0,0|2,0,0]=4 1528 B9R0.7 NC(C(=O)O)CCC(C)C 1P00CJQB [0,2,0,0,0,0|0,0,2]=4 1529 B9R0.7 NC(C(=O)O)CCC(C)C 1P01AITT [0,2,0,0,0,0|0,0,2]=4 1530 B9R0.7 NC(C(C)C)CCC(=O)O 1P028H49 [0,2,0,0,0,0|0,0,2]=4 1531 B9R0.7 N[C@@H](C(=O)O)CCC(C)C 1P0019XG [0,2,0,0,0,0|0,0,2]=4 1532 B9R0.7 N[C@@H](C(=O)O)CCC(C)C 1P01EM0N [0,2,0,0,0,0|0,0,2]=4 1533 B9R0.7 N[C@H](C(=O)O)CCC(C)C 1P0034RK [0,2,0,0,0,0|0,0,2]=4 1534 B9R0.7 N[C@H](C(=O)O)CCC(C)C 1P00HT6X [0,2,0,0,0,0|0,0,2]=4 1535 B9R0.7 OC(C(=O)O)CCC(C)C 1P002RI8 [0,2,0,0,0,0|0,0,2]=4 1536 B9R0.13 CCCCC(C(=O)O)CC 1P001LSU [0,2,0,0,0,0|0,0,2]=4 1537 B9R0.13 CCCCC(C(=O)O)CC 1P005NKL [0,2,0,0,0,0|0,0,2]=4 1538 B9R0.13 CCCC[C@@H](C(=O)O)NC 1P001ZCO [0,2,0,0,0,0|0,0,2]=4 1539 B9R0.13 CCCC[C@H](C(=O)O)CC 1P01GHCT [0,2,0,0,0,0|0,0,2]=4 1540 B9R0.13 CCC\C=C(\C(=O)O)/C#N 1P00LU3X [0,2,0,0,0,0|0,0,0]=2 1541 B9R0.13 CCOC=C(C(=O)O)C#N 1P00645X [0,2,0,0,0,0|1,0,0]=3 1542 B9R0.42 CC(CC)CC(=O)C(=O)O 1P028CV2 [0,2,0,0,0,0|0,0,1]=3 1543 B9R0.42 CC(NC(=O)C(=O)O)CC 1P0059E7 [0,2,0,0,0,0|1,0,0]=3 1544 B9R0.42 CCC(CC(C(=O)O)N)C 1P019ZGJ [0,2,0,0,0,0|0,0,2]=4 1545 B9R0.42 CCC(C[C@@H](C(=O)O)N)C 1P028FBT [0,2,0,0,0,0|0,0,2]=4 1546 B9R0.42 CCC(C[C@@H](C(=O)O)N)C 1P028UKV [0,2,0,0,0,0|0,0,2]=4 1547 B9R0.42 NCC(C=C(C(=O)O)C)C 1P0290AJ [0,2,0,0,0,0|1,0,0]=3 1548 B9R0.51 CC(C(=O)O)(CCCC)F 1P01B2U3 [0,2,0,0,0,0|0,0,2]=4 1549 B9R0.51 CC(C(=O)O)(CCCC)N 1P028TIU [0,2,0,0,0,0|0,0,2]=4 1550 B9R0.51 CCCCC(C(=O)O)(C)C 1P0053IQ [0,2,0,0,0,0|0,0,2]=4 1551 B9R0.51 CCCCC(C(=O)O)(F)F 1P0021BE [0,2,0,0,0,0|0,0,2]=4 1552 B9R0.51 CCCOC(C(=O)O)(C)C 1P027XF8 [0,2,0,0,0,0|1,0,1]=4 1553 B9R0.43 CCC(=CC)C=CC(=O)O 1P0292SX [0,2,0,0,0,0|0,0,1]=3 1554 B9R0.43 CCC(CCC(=O)O)CC 1P00F40H [0,2,0,0,0,0|0,0,2]=4 1555 B9R0.43 CCC(CCC(=O)O)OC 1P028RAK [0,2,0,0,0,0|0,0,2]=4 1556 B9R0.43 CCC(OCC(=O)O)CC 1P002EN1 [0,2,0,0,0,0|1,0,1]=4 1557 B9R0.64 CC(CC)(CCC(=O)O)N 1P028VEV [0,2,0,0,0,0|0,0,2]=4 1558 B9R0.64 CCC(OCC(=O)O)(C)C 1P01C2OG [0,2,0,0,0,0|1,0,1]=4 1559 B9R0.64 CCS(=O)(=O)C=CC(=O)O 1P01B4GT [0,2,0,0,0,0|1,0,0]=3 1560 B9R0.64 CSC(\C=C\C(=O)O)(C)C 1P028ZSW [0,2,0,0,0,0|1,0,0]=3 1561 B9R0.56 OC(=O)C#CCC(C)(C)C 1P01C47S [0,2,0,0,0,0|0,0,2]=4 1562 B9R0.56 OC(=O)CCCC(C)(C)C 1P002OSG [0,2,0,0,0,0|0,0,2]=4 1563 B9R0.56 OC(=O)CCCC(F)(F)C 1P028IVU [0,2,0,0,0,0|0,0,2]=4 1564 B9R0.56 OC(=O)CNCC(C)(C)C 1P01B6TR [0,2,0,0,0,0|1,0,1]=4 1565 B9R0.56 OC(=O)CNCC(O)(C)C 1P028C4H [0,2,0,0,0,0|1,0,1]=4 1566 B9R0.56 OC(=O)COCC(C)(C)C 1P028VIS [0,2,0,0,0,0|1,0,1]=4 1567 B9R0.56 OC(=O)C\C=C\C(C)(C)C 1P0284ED [0,2,0,0,0,0|0,0,2]=4 1568 B7R1.2 BrC1C=CC(=O)O1 1P00CLVZ [1,0,0,1,0,0|1,0,0]=3 1569 B7R1.2 CC1=CCC(=O)O1 1P001512 [1,0,0,1,0,0|0,0,2]=4 1570 B7R1.2 CC1C=CC(=O)O1 1P0034RE [1,0,0,1,0,0|0,0,0]=2 1571 B7R1.2 CC1C=CC(=O)S1 1P006AW5 [1,0,0,1,0,0|0,1,0]=3 1572 B7R1.2 CC1CC(=O)NC1 1P0039AR [1,0,0,1,0,0|2,0,0]=4 1573 B7R1.2 CC1CC(=O)OC1 1P00ARBT [1,0,0,1,0,0|2,0,0]=4 1574 B7R1.2 CC1CCC(=O)C1 1P0021LM [1,0,0,1,0,0|1,0,1]=4 1575 B7R1.2 CC1CCC(=O)N1 1P0034RL [1,0,0,1,0,0|1,0,1]=4 1576 B7R1.2 CC1CCC(=O)O1 1P0035FE [1,0,0,1,0,0|0,0,1]=3 1577 B7R1.2 CC1CN=C(O1)N 1P00G05Q [1,0,0,1,0,0|2,0,0]=4 1578 B7R1.2 CC1CNC(=O)O1 1P007BAB [1,0,0,1,0,0|1,0,0]=3 1579 B7R1.2 CC1COC(=O)N1 1P001SNQ [1,0,0,1,0,0|2,0,0]=4 1580 B7R1.2 CC1COC(=O)O1 1P0035ZW [1,0,0,1,0,0|1,0,0]=3 1581 B7R1.2 CC1COS(=O)O1 1P001EW7 [1,0,0,1,0,0|2,0,0]=4 1582 B7R1.2 C[C@@H]1CC(=O)NC1 1P002RUA [1,0,0,1,0,0|2,0,0]=4 1583 B7R1.2 C[C@@H]1CCC(=O)C1 1P003CMA [1,0,0,1,0,0|1,0,1]=4 1584 B7R1.2 C[C@@H]1CCC(=O)N1 1P00731A [1,0,0,1,0,0|1,0,1]=4 1585 B7R1.2 C[C@@H]1CCC(=O)O1 1P00IAXM [1,0,0,1,0,0|0,0,1]=3 1586 B7R1.2 C[C@@H]1CNC(=O)O1 1P00HCN8 [1,0,0,1,0,0|1,0,0]=3 1587 B7R1.2 C[C@@H]1COC(=O)N1 1P0073E0 [1,0,0,1,0,0|2,0,0]=4 1588 B7R1.2 C[C@@H]1COC(=O)O1 1P001WYA [1,0,0,1,0,0|1,0,0]=3 1589 B7R1.2 C[C@H]1CC(=O)NC1 1P00I6FM [1,0,0,1,0,0|2,0,0]=4 1590 B7R1.2 C[C@H]1CC(=O)OC1 1P00EB7B [1,0,0,1,0,0|2,0,0]=4 1591 B7R1.2 C[C@H]1CCC(=O)C1 1P00H79H [1,0,0,1,0,0|1,0,1]=4 1592 B7R1.2 C[C@H]1CCC(=O)N1 1P001OOA [1,0,0,1,0,0|1,0,1]=4 1593 B7R1.2 C[C@H]1CCC(=O)O1 1P01A6OX [1,0,0,1,0,0|0,0,1]=3 1594 B7R1.2 C[C@H]1COC(=O)N1 1P00BYK8 [1,0,0,1,0,0|2,0,0]=4 1595 B7R1.2 C[C@H]1COC(=O)O1 1P0032OB [1,0,0,1,0,0|1,0,0]=3 1596 B7R1.2 Cc1ccc(o1)Br 1P000LMO [1,0,0,1,0,0|1,0,1]=4 1597 B7R1.2 Cc1ccc(o1)C 1P00IBHV [1,0,0,1,0,0|1,0,1]=4 1598 B7R1.2 Cc1ccc(s1)O 1P01DWX2 [1,0,0,1,0,0|0,1,1]=4 1599 B7R1.2 ClC1COC(=O)O1 1P003PAC [1,0,0,1,0,0|2,0,0]=4 1600 B7R1.2 Cn1ccc(=O)[nH]1 1P00DIE4 [1,0,0,1,0,0|2,0,0]=4 1601 B7R1.2 FC1COC(=O)O1 1P000BSD [1,0,0,1,0,0|2,0,0]=4 1602 B7R1.2 O=C1C=CC(=O)O1 1P0035KZ [1,0,0,1,0,0|1,0,1]=4 1603 B7R1.2 O=C1C=CC(=O)O1 1P01G8TR [1,0,0,1,0,0|1,0,1]=4 1604 B7R1.2 O=C1CC=C(O1)C 1P0035K2 [1,0,0,1,0,0|0,0,2]=4 1605 B7R1.2 OC1C=CC(=O)C1 1P00EJSF [1,0,0,1,0,0|2,0,0]=4 1606 B7R1.2 OC1C=CC(=O)O1 1P001CQE [1,0,0,1,0,0|1,0,0]=3 1607 B7R1.2 OC1CCC(=O)O1 1P01HSO8 [1,0,0,1,0,0|1,0,1]=4 1608 B7R1.2 O[C@H]1C=CC(=O)C1 1P00E9HE [1,0,0,1,0,0|2,0,0]=4 1609 B7R1.3 BrC1=CCCCC1 1P0029YC [1,0,0,1,0,0|2,0,0]=4 1610 B7R1.3 C1CC=NC(=O)N1 1P023TVL [1,0,0,1,0,0|2,0,0]=4 1611 B7R1.3 IC1=CCCCC1 1P0020JK [1,0,0,1,0,0|2,0,0]=4 1612 B7R1.3 NC1=NCCCO1 1P01BF59 [1,0,0,1,0,0|2,0,0]=4 1613 B7R1.3 O=C1CCCC=C1 1P0033QS [1,0,0,1,0,0|1,0,0]=3 1614 B7R1.3 O=C1CCCCN1 1P0033W9 [1,0,0,1,0,0|1,0,1]=4 1615 B7R1.3 O=C1CCCCO1 1P00IA55 [1,0,0,1,0,0|0,0,1]=3 1616 B7R1.3 O=C1CCCCS1 1P0001ZA [1,0,0,1,0,0|0,1,1]=4 1617 B7R1.3 O=C1CCNC=C1 1P002PGW [1,0,0,1,0,0|2,0,0]=4 1618 B7R1.3 O=C1CCOC=C1 1P004TYE [1,0,0,1,0,0|2,0,0]=4 1619 B7R1.3 O=C1CNCC=C1 1P028FY8 [1,0,0,1,0,0|2,0,0]=4 1620 B7R1.3 O=C1CNCCO1 1P00DJZ1 [1,0,0,1,0,0|1,0,1]=4 1621 B7R1.3 O=C1COCC=C1 1P00IKIB [1,0,0,1,0,0|2,0,0]=4 1622 B7R1.3 O=C1COCCO1 1P0030I9 [1,0,0,1,0,0|1,0,1]=4 1623 B7R1.3 O=C1NCCC=C1 1P00EDGZ [1,0,0,1,0,0|1,0,0]=3 1624 B7R1.3 O=C1NCCCN1 1P003V5G [1,0,0,1,0,0|2,0,0]=4 1625 B7R1.3 O=C1NCCCO1 1P003E20 [1,0,0,1,0,0|1,0,0]=3 1626 B7R1.3 O=C1NCCCS1 1P001LQ4 [1,0,0,1,0,0|1,1,0]=4 1627 B7R1.3 O=C1OCCC=C1 1P003MQL [1,0,0,1,0,0|0,0,0]=2 1628 B7R1.3 O=C1OCCCO1 1P002OWF [1,0,0,1,0,0|1,0,0]=3 1629 B7R1.3 O=S1OCCCO1 1P00CW57 [1,0,0,1,0,0|2,0,0]=4 1630 B7R1.3 O=c1cccco1 1P003O98 [1,0,0,1,0,0|0,0,2]=4 1631 B7R1.3 OC1CCCC=C1 1P003HL7 [1,0,0,1,0,0|1,0,1]=4 1632 B7R1.3 O[C@@H]1CCCC=C1 1P007HSE [1,0,0,1,0,0|1,0,1]=4 1633 B7R1.3 O[C@H]1CCCC=C1 1P01JFX5 [1,0,0,1,0,0|1,0,1]=4 1634 B7R1.3 S=C1NCCCO1 1P01DZBU [1,0,0,1,0,0|1,1,0]=4 1635 B7R1.5 OCCC1=CC1=O 1P01FI4P [1,0,0,1,0,0|2,0,0]=4 1636 B7R1.10 BrCC1CC(=O)O1 1P01B5S1 [1,0,0,1,0,0|1,0,1]=4 1637 B7R1.10 CCC1CC(=O)C1 1P00EUCH [1,0,0,1,0,0|1,0,1]=4 1638 B7R1.12 CC1=CC1C(=O)O 1P01A35R [1,0,0,1,0,0|0,0,2]=4 1639 B7R1.12 CC1CC1C(=O)C 1P01ALPC [1,0,0,1,0,0|1,0,1]=4 1640 B7R1.12 CC1CC1C(=O)Cl 1P00EII7 [1,0,0,1,0,0|1,0,1]=4 1641 B7R1.12 CC1CC1C(=O)N 1P00GA8W [1,0,0,1,0,0|1,0,1]=4 1642 B7R1.12 CC1CC1C(=O)O 1P002Z71 [1,0,0,1,0,0|0,0,1]=3 1643 B7R1.12 CC1CC1C(=O)O 1P00EK9C [1,0,0,1,0,0|0,0,1]=3 1644 B7R1.12 C[C@@H]1C[C@@H]1C(=O)C 1P028NP2 [1,0,0,1,0,0|1,0,1]=4 1645 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 1P00BJDC [1,0,0,1,0,0|0,0,1]=3 1646 B7R1.12 C[C@@H]1C[C@H]1C(=O)C 1P028MO8 [1,0,0,1,0,0|1,0,1]=4 1647 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 1P00ELZP [1,0,0,1,0,0|0,0,1]=3 1648 B7R1.12 C[C@@H]1O[C@H]1C(=O)O 1P01B6TE [1,0,0,1,0,0|1,0,1]=4 1649 B7R1.12 C[C@H]1C[C@@H]1C(=O)C 1P028O3I [1,0,0,1,0,0|1,0,1]=4 1650 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 1P00ARLC [1,0,0,1,0,0|0,0,1]=3 1651 B7R1.12 C[C@H]1C[C@H]1C(=O)C 1P028FLW [1,0,0,1,0,0|1,0,1]=4 1652 B7R1.12 C[C@H]1C[C@H]1C(=O)O 1P002ZI0 [1,0,0,1,0,0|0,0,1]=3 1653 B7R1.12 F[C@H]1C[C@@H]1C(=O)O 1P009DKG [1,0,0,1,0,0|1,0,1]=4 1654 B7R1.12 F[C@H]1C[C@H]1C(=O)O 1P00HB72 [1,0,0,1,0,0|1,0,1]=4 1655 B7R1.12 OC(=O)C1CC1F 1P001PI5 [1,0,0,1,0,0|1,0,1]=4 1656 B7R1.12 OC(=O)[C@@H]1C[C@@H]1F 1P000X7B [1,0,0,1,0,0|1,0,1]=4 1657 B7R1.12 OC(=O)[C@@H]1C[C@@H]1I 1P01JUSO [1,0,0,1,0,0|1,0,1]=4 1658 B7R1.12 OC(=O)[C@@H]1C[C@H]1Cl 1P028JBO [1,0,0,1,0,0|1,0,1]=4 1659 B7R1.12 OC(=O)[C@@H]1C[C@H]1F 1P001XKM [1,0,0,1,0,0|1,0,1]=4 1660 B7R1.12 OC(=O)[C@H]1C[C@@H]1Br 1P028QME [1,0,0,1,0,0|1,0,1]=4 1661 B7R1.12 OC(=O)[C@H]1C[C@@H]1F 1P001XKL [1,0,0,1,0,0|1,0,1]=4 1662 B7R1.12 OC(=O)[C@H]1C[C@H]1F 1P000X7C [1,0,0,1,0,0|1,0,1]=4 1663 B7R1.12 OC(=O)[C@H]1C[C@H]1I 1P00182G [1,0,0,1,0,0|1,0,1]=4 1664 B7R1.14 FP1(=O)CCC=C1 1P01RO3B [1,0,0,1,0,0|2,0,0]=4 1665 B7R1.14 O=S1(=O)CCC=C1 1P000ISO [1,0,0,1,0,0|1,0,1]=4 1666 B7R1.18 CC(=O)C1CCC1 1P003PKG [1,0,0,1,0,0|1,0,1]=4 1667 B7R1.18 CC(=O)N1CCC1 1P00DLB1 [1,0,0,1,0,0|2,0,0]=4 1668 B7R1.18 ClC(=O)C1CCC1 1P00353Y [1,0,0,1,0,0|1,0,1]=4 1669 B7R1.18 ClC(=O)N1CCC1 1P01DX42 [1,0,0,1,0,0|2,0,0]=4 1670 B7R1.18 NC(=O)C1CCC1 1P001MYW [1,0,0,1,0,0|1,0,1]=4 1671 B7R1.18 NC(=O)N1CCC1 1P01LJEJ [1,0,0,1,0,0|2,0,0]=4 1672 B7R1.18 OC(=O)C1=CCC1 1P00BJ3Y [1,0,0,1,0,0|0,0,0]=2 1673 B7R1.18 OC(=O)C1CCC1 1P00353Z [1,0,0,1,0,0|0,0,1]=3 1674 B7R1.18 OC(=O)C1CCN1 1P002R80 [1,0,0,1,0,0|1,0,1]=4 1675 B7R1.18 OC(=O)C1CCO1 1P0036EM [1,0,0,1,0,0|1,0,1]=4 1676 B7R1.18 OC(=O)C1CNC1 1P0008FD [1,0,0,1,0,0|1,0,1]=4 1677 B7R1.18 OC(=O)C1CNC1 1P003429 [1,0,0,1,0,0|1,0,1]=4 1678 B7R1.18 OC(=O)C1COC1 1P000AR0 [1,0,0,1,0,0|1,0,1]=4 1679 B7R1.18 OC(=O)C1CSC1 1P005KXP [1,0,0,1,0,0|1,0,1]=4 1680 B7R1.18 OC(=O)[C@@H]1CCN1 1P003827 [1,0,0,1,0,0|1,0,1]=4 1681 B7R1.18 OC(=O)[C@@H]1CCO1 1P01JUQJ [1,0,0,1,0,0|1,0,1]=4 1682 B7R1.18 OC(=O)[C@H]1CCN1 1P005DGN [1,0,0,1,0,0|1,0,1]=4 1683 B7R1.18 OC(=O)[C@H]1CCN1 1P00EIWE [1,0,0,1,0,0|1,0,1]=4 1684 B7R1.18 OC(=O)[C@H]1CCO1 1P01JUNT [1,0,0,1,0,0|1,0,1]=4 1685 B7R1.20 CC(=O)CC1CC1 1P0037WP [1,0,0,1,0,0|1,0,1]=4 1686 B7R1.20 ClC(=O)CC1CC1 1P00DCW4 [1,0,0,1,0,0|1,0,1]=4 1687 B7R1.20 ClC(=O)NC1CC1 1P01DX1E [1,0,0,1,0,0|2,0,0]=4 1688 B7R1.20 ClC(=O)OC1CC1 1P00E2V3 [1,0,0,1,0,0|2,0,0]=4 1689 B7R1.20 NC(=O)CC1CC1 1P0086XZ [1,0,0,1,0,0|1,0,1]=4 1690 B7R1.20 NC(=O)NC1CC1 1P002BDF [1,0,0,1,0,0|2,0,0]=4 1691 B7R1.20 OC(=O)C=C1CC1 1P00F046 [1,0,0,1,0,0|0,0,0]=2 1692 B7R1.20 OC(=O)CC1CC1 1P00395B [1,0,0,1,0,0|0,0,1]=3 1693 B7R1.20 OC(=O)CC1CO1 1P01DYAP [1,0,0,1,0,0|1,0,1]=4 1694 B7R1.1 BrCC1=CCCC1 1P00FM0P [1,0,0,1,0,0|1,0,1]=4 1695 B7R1.1 C1CON=C1C=O 1P028L7B [1,0,0,1,0,0|2,0,0]=4 1696 B7R1.1 C1SCC=C1C=O 1P000A32 [1,0,0,1,0,0|1,0,0]=3 1697 B7R1.1 CCC1=CCCC1 1P003ER5 [1,0,0,1,0,0|1,0,1]=4 1698 B7R1.1 CCC1NCC=C1 1P008W14 [1,0,0,1,0,0|1,0,1]=4 1699 B7R1.1 CCC1NCC=C1 1P00J2F3 [1,0,0,1,0,0|1,0,1]=4 1700 B7R1.1 CC[C-]1C=CC=C1 1P000XD7 [1,0,0,1,0,0|1,0,1]=4 1701 B7R1.1 CC[C-]1C=CC=C1 1P000XD9 [1,0,0,1,0,0|1,0,1]=4 1702 B7R1.1 CCc1ccc[nH]1 1P0033RK [1,0,0,1,0,0|1,0,1]=4 1703 B7R1.1 CCc1ccco1 1P003HOB [1,0,0,1,0,0|0,0,1]=3 1704 B7R1.1 CCc1cccs1 1P003HOV [1,0,0,1,0,0|0,1,1]=4 1705 B7R1.1 CCc1cnco1 1P007IH6 [1,0,0,1,0,0|1,0,1]=4 1706 B7R1.1 CCn1cccc1 1P00EBJW [1,0,0,1,0,0|2,0,0]=4 1707 B7R1.1 CCn1cccn1 1P003ES5 [1,0,0,1,0,0|2,0,0]=4 1708 B7R1.1 COC1=CCCC1 1P0094KJ [1,0,0,1,0,0|2,0,0]=4 1709 B7R1.1 CSc1ccco1 1P000WBV [1,0,0,1,0,0|1,0,1]=4 1710 B7R1.1 N#CC1=CCCC1 1P0030PO [1,0,0,1,0,0|1,0,1]=4 1711 B7R1.1 NCC1=CCCC1 1P01ACZ1 [1,0,0,1,0,0|1,0,1]=4 1712 B7R1.1 NCc1ccco1 1P00IBDE [1,0,0,1,0,0|1,0,1]=4 1713 B7R1.1 O=CC1=CCCC1 1P00EGML [1,0,0,1,0,0|0,0,0]=2 1714 B7R1.1 O=CC1=CCCO1 1P01DC7A [1,0,0,1,0,0|1,0,0]=3 1715 B7R1.1 O=CC1CCCC1 1P00354L [1,0,0,1,0,0|0,0,2]=4 1716 B7R1.1 O=CC1CCCC1 1P0035E6 [1,0,0,1,0,0|0,0,2]=4 1717 B7R1.1 O=CC1CCCO1 1P0036B1 [1,0,0,1,0,0|1,0,1]=4 1718 B7R1.1 O=CN1CCCC1 1P00BXTF [1,0,0,1,0,0|1,0,1]=4 1719 B7R1.1 OCC1=CCCC1 1P00842I [1,0,0,1,0,0|0,0,1]=3 1720 B7R1.1 OCc1ccco1 1P003R60 [1,0,0,1,0,0|1,0,1]=4 1721 B7R1.1 ON=C1CCCC1 1P000ITF [1,0,0,1,0,0|1,0,1]=4 1722 B7R1.1 ON=C1CCCN1 1P01EIR0 [1,0,0,1,0,0|2,0,0]=4 1723 B7R1.1 SCC1=CCCC1 1P0283Z5 [1,0,0,1,0,0|0,1,1]=4 1724 B7R1.1 SCc1ccco1 1P003R61 [1,0,0,1,0,0|1,0,1]=4 1725 B7R1.4 Cn1[nH]ccc1=O 1P00CJF7 [1,0,0,1,0,0|2,0,0]=4 1726 B7R1.4 Cn1nccc1O 1P003AIK [1,0,0,1,0,0|2,0,0]=4 1727 B7R1.4 Cn1nccc1O 1P003EXW [1,0,0,1,0,0|2,0,0]=4 1728 B7R1.4 Cn1sccc1=O 1P002SGM [1,0,0,1,0,0|2,0,0]=4 1729 B7R1.4 Cn1sccc1=O 1P01FT0U [1,0,0,1,0,0|2,0,0]=4 1730 B7R1.4 O=C1C=CCN1C 1P001BMC [1,0,0,1,0,0|1,0,0]=3 1731 B7R1.4 O=C1CCCC1C 1P008SEF [1,0,0,1,0,0|0,0,2]=4 1732 B7R1.4 O=C1COCC1C 1P01B6KD [1,0,0,1,0,0|1,0,1]=4 1733 B7R1.4 O=C1CSCC1C 1P006YBW [1,0,0,1,0,0|1,0,1]=4 1734 B7R1.4 O=C1NCCC1C 1P00BDOY [1,0,0,1,0,0|1,0,1]=4 1735 B7R1.4 O=C1NCC[C@H]1C 1P01DXX5 [1,0,0,1,0,0|1,0,1]=4 1736 B7R1.4 O=C1OCCC1C 1P0039WP [1,0,0,1,0,0|1,0,1]=4 1737 B7R1.6 BrCC=C1CCC1 1P002QD6 [1,0,0,1,0,0|1,0,1]=4 1738 B7R1.6 N#CC=C1CCC1 1P00BI89 [1,0,0,1,0,0|1,0,1]=4 1739 B7R1.6 O=CCC1CCC1 1P006S59 [1,0,0,1,0,0|0,0,2]=4 1740 B7R1.6 OCC=C1CCC1 1P01A5JW [1,0,0,1,0,0|0,0,1]=3 1741 B7R1.8 CCC1CCC1=O 1P008TOV [1,0,0,1,0,0|0,0,2]=4 1742 B7R1.9 CCC1CC1C=O 1P02924W [1,0,0,1,0,0|0,0,2]=4 1743 B7R1.24 C1CCC=CCC1 1P003PL0 [1,0,0,1,0,0|1,0,1]=4 1744 B9R1.7 C(CC)C1=CC(OC1)=O 1P01JJQ8 [0,1,0,1,0,0|0,0,0]=2 1745 B9R1.7 CCCC1=NNC(=O)C1 1P002Y62 [0,1,0,1,0,0|1,0,1]=4 1746 B9R1.7 CCCC1CCC(=O)O1 1P00HB0Y [0,1,0,1,0,0|0,0,2]=4 1747 B9R1.7 CCCC1COC(=O)O1 1P008882 [0,1,0,1,0,0|0,0,2]=4 1748 B9R1.7 CCC[C@H]1COC(=O)C1 1P00ELOJ [0,1,0,1,0,0|0,0,2]=4 1749 B9R1.7 CCCc1c[nH]c(=N)s1 1P0076N1 [0,1,0,1,0,0|1,1,0]=4 1750 B9R1.7 CCCc1c[nH]c(=O)[nH]1 1P0003D4 [0,1,0,1,0,0|1,0,0]=3 1751 B9R1.7 CCCc1cc(n[nH]1)N 1P000TN0 [0,1,0,1,0,0|2,0,0]=4 1752 B9R1.7 CCCc1cc(n[nH]1)N 1P01AHJ9 [0,1,0,1,0,0|2,0,0]=4 1753 B9R1.7 CCCc1cc(no1)N 1P00IAF8 [0,1,0,1,0,0|1,0,0]=3 1754 B9R1.7 CCCc1cc(on1)N 1P00FEB9 [0,1,0,1,0,0|1,0,0]=3 1755 B9R1.7 CCCc1ccc(s1)Br 1P007DLW [0,1,0,1,0,0|1,1,0]=4 1756 B9R1.7 CCCc1coc(n1)Br 1P01BAUE [0,1,0,1,0,0|2,0,0]=4 1757 B9R1.7 CCCc1csc(n1)C 1P00D7JO [0,1,0,1,0,0|2,0,0]=4 1758 B9R1.7 CCCc1csc(n1)N 1P00EGKN [0,1,0,1,0,0|2,0,0]=4 1759 B9R1.7 CCCc1csc(n1)N 1P01A4B0 [0,1,0,1,0,0|2,0,0]=4 1760 B9R1.7 CCCc1nc(c[nH]1)Br 1P00J2YS [0,1,0,1,0,0|2,0,0]=4 1761 B9R1.7 CCCc1nc(c[nH]1)I 1P01DHCF [0,1,0,1,0,0|2,0,0]=4 1762 B9R1.7 CCCc1nc(cs1)N 1P01DVH7 [0,1,0,1,0,0|2,0,0]=4 1763 B9R1.7 CCCc1nc(no1)N 1P00ADB3 [0,1,0,1,0,0|2,0,0]=4 1764 B9R1.7 CCCc1ncc(s1)N 1P01FJWT [0,1,0,1,0,0|1,1,0]=4 1765 B9R1.7 CCCc1nnc(o1)N 1P00FEYV [0,1,0,1,0,0|2,0,0]=4 1766 B9R1.7 CCCc1nnc(o1)O 1P00J32U [0,1,0,1,0,0|1,0,1]=4 1767 B9R1.7 CCCc1nnc(o1)S 1P01A10N [0,1,0,1,0,0|1,1,0]=4 1768 B9R1.7 CCCn1ccc(n1)Br 1P01DZ5E [0,1,0,1,0,0|2,0,0]=4 1769 B9R1.7 CCCn1ccc(n1)I 1P00733M [0,1,0,1,0,0|2,0,0]=4 1770 B9R1.7 CCCn1ccc(n1)N 1P00JCPI [0,1,0,1,0,0|2,0,0]=4 1771 B9R1.7 CCNc1noc(c1)C 1P02104A [0,1,0,1,0,0|2,0,0]=4 1772 B9R1.7 CCOC1=CC(=O)CC1 1P003JU5 [0,1,0,1,0,0|2,0,0]=4 1773 B9R1.7 CCOC1OC(=O)CS1 1P01C2WK [0,1,0,1,0,0|1,0,1]=4 1774 B9R1.7 CNCC1COC(=O)O1 1P028JPK [0,1,0,1,0,0|1,0,1]=4 1775 B9R1.7 CNCc1cc(co1)Br 1P027UY5 [0,1,0,1,0,0|2,0,0]=4 1776 B9R1.7 CNCc1ccc(o1)Br 1P019NFF [0,1,0,1,0,0|1,0,1]=4 1777 B9R1.7 CNCc1ccc(o1)C 1P001EP7 [0,1,0,1,0,0|1,0,1]=4 1778 B9R1.7 CNCc1ccc(o1)Cl 1P027VBZ [0,1,0,1,0,0|1,0,1]=4 1779 B9R1.7 CNCc1n[nH]c(=O)o1 1P01BAXJ [0,1,0,1,0,0|2,0,0]=4 1780 B9R1.7 CNCc1ncc(o1)C 1P027XJA [0,1,0,1,0,0|2,0,0]=4 1781 B9R1.7 CNCc1noc(c1)C 1P0047PL [0,1,0,1,0,0|2,0,0]=4 1782 B9R1.7 CNCc1onc(c1)C 1P00C8MI [0,1,0,1,0,0|2,0,0]=4 1783 B9R1.7 CNCc1onc(c1)C 1P00J3SK [0,1,0,1,0,0|2,0,0]=4 1784 B9R1.7 COC[C@@H]1COC(=O)O1 1P003CMB [0,1,0,1,0,0|1,0,1]=4 1785 B9R1.7 COC[C@H]1COC(=O)O1 1P003CUL [0,1,0,1,0,0|1,0,1]=4 1786 B9R1.7 COCc1cc(no1)Br 1P024RJK [0,1,0,1,0,0|2,0,0]=4 1787 B9R1.7 COCc1cc(no1)N 1P0198RT [0,1,0,1,0,0|2,0,0]=4 1788 B9R1.7 COCc1cc(on1)N 1P028KT3 [0,1,0,1,0,0|2,0,0]=4 1789 B9R1.7 COCc1cnc(o1)Br 1P028PDD [0,1,0,1,0,0|2,0,0]=4 1790 B9R1.7 COCc1n[nH]c(=O)o1 1P01A006 [0,1,0,1,0,0|2,0,0]=4 1791 B9R1.7 COCc1noc(=O)[nH]1 1P028MB7 [0,1,0,1,0,0|2,0,0]=4 1792 B9R1.7 Cc1cc(no1)CCBr 1P028O2Q [0,1,0,1,0,0|2,0,0]=4 1793 B9R1.7 Cc1cc(no1)CCCl 1P01FM8J [0,1,0,1,0,0|2,0,0]=4 1794 B9R1.7 Cc1cc(no1)CCN 1P01DXNK [0,1,0,1,0,0|2,0,0]=4 1795 B9R1.7 Cc1cc(no1)CCN 1P01EIG0 [0,1,0,1,0,0|2,0,0]=4 1796 B9R1.7 Cc1cc(no1)CCO 1P02908I [0,1,0,1,0,0|2,0,0]=4 1797 B9R1.7 Cc1cc(on1)CCBr 1P028TDA [0,1,0,1,0,0|2,0,0]=4 1798 B9R1.7 Cc1cc(on1)CCCl 1P018SCV [0,1,0,1,0,0|2,0,0]=4 1799 B9R1.7 Cc1cc(on1)CCN 1P01BBDJ [0,1,0,1,0,0|2,0,0]=4 1800 B9R1.7 Cc1ccc(o1)CCN 1P0031S1 [0,1,0,1,0,0|1,0,1]=4 1801 B9R1.7 Cc1ccc(o1)CCO 1P00CNQA [0,1,0,1,0,0|1,0,1]=4 1802 B9R1.7 NCCC1CNC(=O)O1 1P028AGU [0,1,0,1,0,0|1,0,1]=4 1803 B9R1.7 NCCc1[nH][nH]c(=O)c1 1P01A1UC [0,1,0,1,0,0|2,0,0]=4 1804 B9R1.7 NCCc1cc(no1)Br 1P028W5V [0,1,0,1,0,0|2,0,0]=4 1805 B9R1.7 NCCc1cc(no1)O 1P01FIC2 [0,1,0,1,0,0|1,0,1]=4 1806 B9R1.7 NCCc1ccc(o1)Br 1P01A1LP [0,1,0,1,0,0|1,0,1]=4 1807 B9R1.7 NCCc1ccc(o1)Br 1P01AES0 [0,1,0,1,0,0|1,0,1]=4 1808 B9R1.7 NCCc1cnc(o1)C 1P01FJW6 [0,1,0,1,0,0|2,0,0]=4 1809 B9R1.7 NCCc1csc(=O)[nH]1 1P01BDB6 [0,1,0,1,0,0|2,0,0]=4 1810 B9R1.7 NCCc1n[nH]c(=O)o1 1P027UPE [0,1,0,1,0,0|2,0,0]=4 1811 B9R1.7 NCCc1nc(=O)o[nH]1 1P01BGKR [0,1,0,1,0,0|2,0,0]=4 1812 B9R1.7 NCCc1ncc(o1)C 1P028TLR [0,1,0,1,0,0|2,0,0]=4 1813 B9R1.7 OCCc1cc(no1)Br 1P008UEY [0,1,0,1,0,0|2,0,0]=4 1814 B9R1.7 OCCn1ccc(=O)[nH]1 1P028HFB [0,1,0,1,0,0|2,0,0]=4 1815 B9R1.13 NC(=O)C=C1CCCC1 1P019YXN [0,1,0,1,0,0|1,0,0]=3 1816 B9R1.13 OC(=O)C=C1CCCC1 1P002EXR [0,1,0,1,0,0|0,0,0]=2 1817 B9R1.13 OC(=O)CC1=CCCC1 1P007Q6E [0,1,0,1,0,0|0,0,0]=2 1818 B9R1.13 OC(=O)CC1CCC=C1 1P0012OZ [0,1,0,1,0,0|0,0,2]=4 1819 B9R1.13 OC(=O)CC1CCCC1 1P003PNA [0,1,0,1,0,0|0,0,2]=4 1820 B9R1.13 OC(=O)CC1CCCN1 1P005ESH [0,1,0,1,0,0|0,0,2]=4 1821 B9R1.13 OC(=O)CC1CCCO1 1P00BF6B [0,1,0,1,0,0|0,0,2]=4 1822 B9R1.13 OC(=O)CC1CNCC1 1P0036QT [0,1,0,1,0,0|0,0,2]=4 1823 B9R1.13 OC(=O)CC1CNCC1 1P00G8PC [0,1,0,1,0,0|0,0,2]=4 1824 B9R1.13 OC(=O)CC1COCC1 1P0019RH [0,1,0,1,0,0|0,0,2]=4 1825 B9R1.13 OC(=O)CC1CSCC1 1P01B2MI [0,1,0,1,0,0|0,0,2]=4 1826 B9R1.13 OC(=O)CN1CCCC1 1P003F6L [0,1,0,1,0,0|0,0,2]=4 1827 B9R1.13 OC(=O)CN1CCCC1 1P00FDGP [0,1,0,1,0,0|0,0,2]=4 1828 B9R1.13 OC(=O)C[C@@H]1CCCN1 1P0037NF [0,1,0,1,0,0|0,0,2]=4 1829 B9R1.13 OC(=O)C[C@@H]1CCCN1 1P003D1B [0,1,0,1,0,0|0,0,2]=4 1830 B9R1.13 OC(=O)C[C@@H]1COCC1 1P001EAA [0,1,0,1,0,0|0,0,2]=4 1831 B9R1.13 OC(=O)C[C@H]1CCCN1 1P0038BU [0,1,0,1,0,0|0,0,2]=4 1832 B9R1.13 OC(=O)C[C@H]1CCCN1 1P00EKFJ [0,1,0,1,0,0|0,0,2]=4 1833 B9R1.13 OC(=O)C[C@H]1CCCO1 1P01C638 [0,1,0,1,0,0|0,0,2]=4 1834 B9R1.13 OC(=O)C[C@H]1CNCC1 1P0017PI [0,1,0,1,0,0|0,0,2]=4 1835 B9R1.13 OC(=O)C[C@H]1COCC1 1P001EA9 [0,1,0,1,0,0|0,0,2]=4 1836 B9R1.13 [O-][N+](=O)\C=C/1\CCCN1 1P01EMGM [0,1,0,1,0,0|1,0,1]=4 1837 B9R1.22 CCC1NC(=O)NC1=O 1P003N6V [0,1,0,1,0,0|2,0,0]=4 1838 B9R1.34 Brc1cc(C)oc(=O)c1 1P0011AP [0,1,0,1,0,0|0,0,2]=4 1839 B9R1.34 CC1CC(=CC(=O)C1)C 1P007U39 [0,1,0,1,0,0|1,0,0]=3 1840 B9R1.34 CC1CC(=CC(=O)C1)N 1P00DNEM [0,1,0,1,0,0|1,0,0]=3 1841 B9R1.34 CC1CC(=CC(=O)O1)O 1P007HMC [0,1,0,1,0,0|0,0,0]=2 1842 B9R1.34 CC1CC(=O)C=C(O1)C 1P01DW7M [0,1,0,1,0,0|1,0,0]=3 1843 B9R1.34 CC1CC(=O)CC(=O)C1 1P0037PP [0,1,0,1,0,0|1,0,1]=4 1844 B9R1.34 CC1CC(=O)CC(=O)N1 1P000J2F [0,1,0,1,0,0|1,0,1]=4 1845 B9R1.34 CC1CC(=O)NC(=O)C1 1P002QVI [0,1,0,1,0,0|2,0,0]=4 1846 B9R1.34 CC1CC(=O)NC(=O)N1 1P003MQP [0,1,0,1,0,0|2,0,0]=4 1847 B9R1.34 CC1CC(=O)OC(=O)C1 1P003K81 [0,1,0,1,0,0|2,0,0]=4 1848 B9R1.34 C[C@H]1CC(=O)CC(=O)N1 1P006SU4 [0,1,0,1,0,0|1,0,1]=4 1849 B9R1.34 Cc1cc(C)oc(=O)c1 1P003L0E [0,1,0,1,0,0|0,0,2]=4 1850 B9R1.34 Nc1cc(C)oc(=O)c1 1P00AI4Y [0,1,0,1,0,0|0,0,2]=4 1851 B9R1.34 O=C1CC(=CC(=O)O1)C 1P00IC51 [0,1,0,1,0,0|1,0,1]=4 1852 B9R1.34 Oc1cc(C)oc(=O)c1 1P0034IO [0,1,0,1,0,0|0,0,2]=4 1853 B9R1.41 CC(=O)C1CCCC1=O 1P003GS4 [0,1,0,1,0,0|1,0,1]=4 1854 B9R1.41 CC(=O)N1CCCC1=O 1P003ED1 [0,1,0,1,0,0|2,0,0]=4 1855 B9R1.41 CC1=C(CCC1)C(=O)C 1P00CZS8 [0,1,0,1,0,0|1,0,0]=3 1856 B9R1.41 CC1=C(CCC1)C(=O)O 1P005QP8 [0,1,0,1,0,0|0,0,0]=2 1857 B9R1.41 CC1=C(CCO1)C(=O)O 1P01DL2D [0,1,0,1,0,0|1,0,0]=3 1858 B9R1.41 CC1CCCC1C(=O)O 1P00DC0Z [0,1,0,1,0,0|0,0,2]=4 1859 B9R1.41 CC1CCNC1C(=O)O 1P01ACYG [0,1,0,1,0,0|0,0,2]=4 1860 B9R1.41 CC1CCSC1C(=O)O 1P01FJHO [0,1,0,1,0,0|0,0,2]=4 1861 B9R1.41 CC1CNCC1C(=O)O 1P00IFPF [0,1,0,1,0,0|0,0,2]=4 1862 B9R1.41 CC1NCCC1C(=O)O 1P01B9EQ [0,1,0,1,0,0|0,0,2]=4 1863 B9R1.41 CC1OCCC1C(=O)O 1P019YUS [0,1,0,1,0,0|0,0,2]=4 1864 B9R1.41 CN1CC=CC1C(=O)O 1P00J2DU [0,1,0,1,0,0|1,0,0]=3 1865 B9R1.41 CN1CCCC1C(=O)O 1P0031J0 [0,1,0,1,0,0|0,0,2]=4 1866 B9R1.41 CN1CCCC1C(=O)O 1P00FBW6 [0,1,0,1,0,0|0,0,2]=4 1867 B9R1.41 CN1CCC[C@@H]1C(=O)O 1P00165T [0,1,0,1,0,0|0,0,2]=4 1868 B9R1.41 CN1CCC[C@@H]1C(=O)O 1P003TOA [0,1,0,1,0,0|0,0,2]=4 1869 B9R1.41 CN1CCC[C@@H]1C(=O)O 1P00EKNA [0,1,0,1,0,0|0,0,2]=4 1870 B9R1.41 CN1CCC[C@H]1C(=O)O 1P002CWB [0,1,0,1,0,0|0,0,2]=4 1871 B9R1.41 CN1CCC[C@H]1C(=O)O 1P003TOJ [0,1,0,1,0,0|0,0,2]=4 1872 B9R1.41 CN1CCC[C@H]1C(=O)O 1P00J2FD [0,1,0,1,0,0|0,0,2]=4 1873 B9R1.41 C[C@@H]1CCO[C@@H]1C(=O)O 1P01AV63 [0,1,0,1,0,0|0,0,2]=4 1874 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O 1P01C684 [0,1,0,1,0,0|0,0,2]=4 1875 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O 1P00IBDN [0,1,0,1,0,0|0,0,2]=4 1876 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O 1P0085TL [0,1,0,1,0,0|0,0,2]=4 1877 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O 1P01JUUK [0,1,0,1,0,0|0,0,2]=4 1878 B9R1.41 Cc1c(cc[nH]1)C(=O)O 1P00CJAR [0,1,0,1,0,0|0,0,2]=4 1879 B9R1.41 Cc1c(cn[nH]1)C(=O)O 1P008ZBW [0,1,0,1,0,0|1,0,1]=4 1880 B9R1.41 Cc1c(nc[nH]1)C(=O)O 1P00J3V3 [0,1,0,1,0,0|1,0,1]=4 1881 B9R1.41 Cc1c[nH]cc1C(=O)O 1P00EEYA [0,1,0,1,0,0|0,0,2]=4 1882 B9R1.41 Cc1cocc1C(=O)O 1P00HA4A [0,1,0,1,0,0|0,0,2]=4 1883 B9R1.41 Cc1cscc1C(=O)O 1P008O79 [0,1,0,1,0,0|0,0,2]=4 1884 B9R1.41 Cc1n[nH]cc1C(=O)O 1P0037YK [0,1,0,1,0,0|1,0,1]=4 1885 B9R1.41 Cc1nc[nH]c1C(=O)O 1P001DSJ [0,1,0,1,0,0|1,0,1]=4 1886 B9R1.41 Cc1ncoc1C(=O)O 1P002QXR [0,1,0,1,0,0|1,0,1]=4 1887 B9R1.41 Cc1ncsc1C(=O)O 1P002A6Z [0,1,0,1,0,0|1,0,1]=4 1888 B9R1.41 Cc1nocc1C(=O)O 1P003481 [0,1,0,1,0,0|1,0,1]=4 1889 B9R1.41 Cc1nscc1C(=O)O 1P001QW4 [0,1,0,1,0,0|1,0,1]=4 1890 B9R1.41 Cc1occc1C(=O)O 1P003I5Y [0,1,0,1,0,0|0,0,2]=4 1891 B9R1.41 Cc1ocnc1C(=O)O 1P003ND2 [0,1,0,1,0,0|1,0,1]=4 1892 B9R1.41 Cc1oncc1C(=O)O 1P003NCC [0,1,0,1,0,0|1,0,1]=4 1893 B9R1.41 Cc1sccc1C(=O)O 1P002FXW [0,1,0,1,0,0|0,0,2]=4 1894 B9R1.41 Cc1scnc1C(=O)O 1P007QWB [0,1,0,1,0,0|1,0,1]=4 1895 B9R1.41 Cc1sncc1C(=O)O 1P01DYW5 [0,1,0,1,0,0|1,0,1]=4 1896 B9R1.41 ClC(=O)N1CCCC1=O 1P00D78M [0,1,0,1,0,0|2,0,0]=4 1897 B9R1.41 Cn1cncc1C(=O)O 1P00339D [0,1,0,1,0,0|1,0,1]=4 1898 B9R1.41 Cn1nccc1C(=O)O 1P001SBJ [0,1,0,1,0,0|1,0,1]=4 1899 B9R1.41 Cn1ncnc1C(=O)O 1P00G60U [0,1,0,1,0,0|2,0,0]=4 1900 B9R1.41 FC1CCNC1C(=O)O 1P01A3G9 [0,1,0,1,0,0|1,0,1]=4 1901 B9R1.41 FC1CCOC1C(=O)O 1P0286FO [0,1,0,1,0,0|1,0,1]=4 1902 B9R1.41 F[C@@H]1CCN[C@H]1C(=O)O 1P028KQ9 [0,1,0,1,0,0|1,0,1]=4 1903 B9R1.41 F[C@H]1CCN[C@@H]1C(=O)O 1P01JULF [0,1,0,1,0,0|1,0,1]=4 1904 B9R1.41 F[C@H]1CCN[C@H]1C(=O)O 1P01JUL1 [0,1,0,1,0,0|1,0,1]=4 1905 B9R1.41 NC(=O)C1CCCC1=O 1P01E0BW [0,1,0,1,0,0|1,0,1]=4 1906 B9R1.41 NC1CCCC1C(=O)O 1P000Q69 [0,1,0,1,0,0|0,0,2]=4 1907 B9R1.41 NN1CCC[C@@H]1C(=O)O 1P0004UD [0,1,0,1,0,0|1,0,1]=4 1908 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O 1P000Y63 [0,1,0,1,0,0|0,0,2]=4 1909 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O 1P019E17 [0,1,0,1,0,0|0,0,2]=4 1910 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 1P001QMO [0,1,0,1,0,0|0,0,2]=4 1911 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O 1P0289XM [0,1,0,1,0,0|1,0,1]=4 1912 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 1P0039JU [0,1,0,1,0,0|0,0,2]=4 1913 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 1P00ECRB [0,1,0,1,0,0|0,0,2]=4 1914 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 1P00182K [0,1,0,1,0,0|0,0,2]=4 1915 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 1P00ACEC [0,1,0,1,0,0|0,0,2]=4 1916 B9R1.41 OC(=O)C1CCNC1=O 1P00IKC5 [0,1,0,1,0,0|1,0,1]=4 1917 B9R1.41 OC(=O)c1[nH]ccc1C 1P006BCT [0,1,0,1,0,0|0,0,2]=4 1918 B9R1.41 OC(=O)c1cccn1C 1P00ICFR [0,1,0,1,0,0|0,0,2]=4 1919 B9R1.41 OC(=O)c1cnnn1C 1P005GPS [0,1,0,1,0,0|2,0,0]=4 1920 B9R1.41 OC(=O)c1nccn1C 1P002A6Y [0,1,0,1,0,0|1,0,1]=4 1921 B9R1.41 OC(=O)c1occc1C 1P003K7Z [0,1,0,1,0,0|0,0,2]=4 1922 B9R1.41 OC(=O)c1sccc1C 1P00347S [0,1,0,1,0,0|0,0,2]=4 1923 B9R1.41 OC1CCCC1C(=O)O 1P01AL3N [0,1,0,1,0,0|0,0,2]=4 1924 B9R1.41 OC1CCNC1C(=O)O 1P00EZ92 [0,1,0,1,0,0|1,0,1]=4 1925 B9R1.41 O[C@@H]1CCC[C@@H]1C(=O)O 1P01FLSN [0,1,0,1,0,0|0,0,2]=4 1926 B9R1.41 O[C@@H]1CCC[C@H]1C(=O)O 1P002HAD [0,1,0,1,0,0|0,0,2]=4 1927 B9R1.41 O[C@@H]1CCN[C@@H]1C(=O)O 1P00ECSY [0,1,0,1,0,0|1,0,1]=4 1928 B9R1.41 O[C@@H]1CCN[C@@H]1C(=O)O 1P01JVFB [0,1,0,1,0,0|1,0,1]=4 1929 B9R1.41 O[C@@H]1CCN[C@H]1C(=O)O 1P000PW4 [0,1,0,1,0,0|1,0,1]=4 1930 B9R1.41 O[C@H]1CCC[C@@H]1C(=O)O 1P0200WK [0,1,0,1,0,0|0,0,2]=4 1931 B9R1.41 O[C@H]1CCC[C@H]1C(=O)O 1P0020L2 [0,1,0,1,0,0|0,0,2]=4 1932 B9R1.41 O[C@H]1CCN[C@@H]1C(=O)O 1P0039JX [0,1,0,1,0,0|1,0,1]=4 1933 B9R1.41 O[C@H]1CCN[C@H]1C(=O)O 1P0026T1 [0,1,0,1,0,0|1,0,1]=4 1934 B9R1.41 O[C@H]1CCN[C@H]1C(=O)O 1P00935N [0,1,0,1,0,0|1,0,1]=4 1935 B9R1.41 O[C@H]1CCN[C@H]1C(=O)O 1P00DIGA [0,1,0,1,0,0|1,0,1]=4 1936 B9R1.41 SC1CCCC1C(=O)O 1P007UL0 [0,1,0,1,0,0|0,0,2]=4 1937 B9R1.48 CC1CCCCC(=O)O1 1P006UKN [0,1,0,1,0,0|0,0,2]=4 1938 B9R1.48 C[C@@H]1CCCOC(=O)C1 1P002E70 [0,1,0,1,0,0|0,0,2]=4 1939 B9R1.48 O=C1CCCCC(=O)C1 1P000J5J [0,1,0,1,0,0|1,0,1]=4 1940 B9R1.48 O=C1CCCCC(=O)N1 1P00DG4O [0,1,0,1,0,0|2,0,0]=4 1941 B9R1.48 O=C1CCCCC(=O)O1 1P0029EC [0,1,0,1,0,0|2,0,0]=4 1942 B9R1.48 O=C1CCCCC(=S)N1 1P003QEC [0,1,0,1,0,0|2,0,0]=4 1943 B9R1.48 O=C1CCCNC(=O)C1 1P002Z43 [0,1,0,1,0,0|1,0,1]=4 1944 B9R1.52 C[C@@H]1CN([C@@H]1C(=O)O)C 1P024TQO [0,1,0,1,0,0|1,0,1]=4 1945 B9R1.53 CC1CC(C1)CC(=O)O 1P01JUW8 [0,1,0,1,0,0|0,0,2]=4 1946 B9R1.53 CC1CN(C1)CC(=O)O 1P01ALYT [0,1,0,1,0,0|1,0,1]=4 1947 B9R1.53 FC1CC(C1)CC(=O)O 1P01DWAT [0,1,0,1,0,0|0,0,2]=4 1948 B9R1.53 NC1CC(C1)CC(=O)O 1P001DAW [0,1,0,1,0,0|0,0,2]=4 1949 B9R1.53 NC1CC(C1)CC(=O)O 1P01E84R [0,1,0,1,0,0|0,0,2]=4 1950 B9R1.53 NC1CN(C1)CC(=O)O 1P028SVN [0,1,0,1,0,0|1,0,1]=4 1951 B9R1.53 N[C@@H]1C[C@@H](C1)CC(=O)O 1P00HYGR [0,1,0,1,0,0|0,0,2]=4 1952 B9R1.53 N[C@@H]1C[C@H](C1)CC(=O)O 1P01JP7C [0,1,0,1,0,0|0,0,2]=4 1953 B9R1.53 OC1CN(C1)CC(=O)O 1P0189MR [0,1,0,1,0,0|1,0,1]=4 1954 B9R1.53 O[C@@H]1C[C@@H](C1)CC(=O)O 1P020467 [0,1,0,1,0,0|0,0,2]=4 1955 B9R1.53 O[C@@H]1C[C@H](C1)CC(=O)O 1P02045N [0,1,0,1,0,0|0,0,2]=4 1956 B9R1.53 SC1CC(C1)CC(=O)O 1P028T3L [0,1,0,1,0,0|0,0,2]=4 1957 B9R1.59 CCOC1CC1C(=O)O 1P00DC2W [0,1,0,1,0,0|0,0,2]=4 1958 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O 1P01JVBP [0,1,0,1,0,0|0,0,2]=4 1959 B9R1.59 COC[C@@H]1C[C@H]1C(=O)O 1P028I9L [0,1,0,1,0,0|0,0,2]=4 1960 B9R1.59 COC[C@H]1C[C@@H]1C(=O)O 1P028H2P [0,1,0,1,0,0|0,0,2]=4 1961 B9R1.59 COC[C@H]1C[C@H]1C(=O)O 1P0289W2 [0,1,0,1,0,0|0,0,2]=4 1962 B9R1.66 O=C1C=COC(O1)(C)C 1P024DEK [0,1,0,1,0,0|1,0,0]=3 1963 B9R1.66 O=C1CCCC(O1)(C)C 1P002S4V [0,1,0,1,0,0|0,0,2]=4 1964 B9R1.66 OC1C=CCC(C1)(C)C 1P0283T3 [0,1,0,1,0,0|1,0,1]=4 1965 B9R1.86 CC[C@@H]1C[C@H]1CC(=O)O 1P0285MJ [0,1,0,1,0,0|0,0,2]=4 1966 B9R1.137 CC(=CC(=O)O)C1CC1 1P019WLX [0,1,0,1,0,0|0,0,0]=2 1967 B9R1.137 CC(C1CC1)CC(=O)O 1P019Y4O [0,1,0,1,0,0|0,0,2]=4 1968 B9R1.137 CN(C1CC1)CC(=O)O 1P018SS9 [0,1,0,1,0,0|1,0,1]=4 1969 B9R1.137 CN(C1CC1)CC(=O)O 1P028V0W [0,1,0,1,0,0|1,0,1]=4 1970 B9R1.137 C\C(=C/C(=O)N)\C1CC1 1P02937I [0,1,0,1,0,0|1,0,0]=3 1971 B9R1.137 NC(C1CC1)CC(=O)O 1P003JBL [0,1,0,1,0,0|0,0,2]=4 1972 B9R1.137 N[C@@H](C1CC1)CC(=O)O 1P01FIX5 [0,1,0,1,0,0|0,0,2]=4 1973 B9R1.137 N[C@H](C1CC1)CC(=O)O 1P01EM2U [0,1,0,1,0,0|0,0,2]=4 1974 B9R1.137 O=C(C1CC1)CC(=O)C 1P0039CN [0,1,0,1,0,0|1,0,1]=4 1975 B9R1.171 OC(=O)CC1(C)CCC1 1P01FEY7 [0,1,0,1,0,0|0,0,2]=4 1976 B9R1.171 OC(=O)CC1(N)CCC1 1P00F2F3 [0,1,0,1,0,0|0,0,2]=4 1977 B9R1.171 OC(=O)CC1(N)CCC1 1P00J0SF [0,1,0,1,0,0|0,0,2]=4 1978 B9R1.171 OC(=O)CC1(O)CCC1 1P00II0W [0,1,0,1,0,0|0,0,2]=4 1979 B9R1.1 CCC1CCC(=O)C=C1 1P01BJI4 [0,1,0,1,0,0|1,0,0]=3 1980 B9R1.1 CCc1ccc(cc1)O 1P000KDC [0,1,0,1,0,0|1,0,1]=4 1981 B9R1.1 CCc1ccc(nc1)O 1P00D8JL [0,1,0,1,0,0|1,0,1]=4 1982 B9R1.1 CCc1ccc(nn1)O 1P00E29X [0,1,0,1,0,0|1,0,1]=4 1983 B9R1.2 BrCC1CCNC(=O)O1 1P027TRD [0,1,0,1,0,0|1,0,1]=4 1984 B9R1.2 CCC1CC(=O)C=CC1 1P01HMG3 [0,1,0,1,0,0|1,0,0]=3 1985 B9R1.2 CCC1CC=CC(=O)O1 1P020M7D [0,1,0,1,0,0|0,0,0]=2 1986 B9R1.2 CCC1CCCC(=O)O1 1P007IBP [0,1,0,1,0,0|0,0,2]=4 1987 B9R1.2 CCc1cc(O)cnc1 1P01IO5Q [0,1,0,1,0,0|1,0,1]=4 1988 B9R1.2 CCc1cc[nH]c(=O)c1 1P01HJV9 [0,1,0,1,0,0|1,0,1]=4 1989 B9R1.2 CCc1cccc(c1)O 1P003JVD [0,1,0,1,0,0|1,0,1]=4 1990 B9R1.2 CCc1nc(O)ccn1 1P00AI8S [0,1,0,1,0,0|1,0,1]=4 1991 B9R1.2 ICC1CCNC(=O)O1 1P02912Z [0,1,0,1,0,0|1,0,1]=4 1992 B9R1.3 CC1CCC=C(C1=O)C 1P00CVJI [0,1,0,1,0,0|1,0,1]=4 1993 B9R1.3 CC1COC=C(C1=O)C 1P01B5E4 [0,1,0,1,0,0|2,0,0]=4 1994 B9R1.3 Cn1cccc(c1=O)O 1P0075J0 [0,1,0,1,0,0|1,0,1]=4 1995 B9R1.3 O=c1cc[nH]c(c1O)C 1P00AQEP [0,1,0,1,0,0|1,0,1]=4 1996 B9R1.3 O=c1cc[nH]c(c1O)C 1P01C462 [0,1,0,1,0,0|1,0,1]=4 1997 B9R1.3 O=c1ccoc(c1O)C 1P0038N7 [0,1,0,1,0,0|1,0,1]=4 1998 B9R1.5 O=C1CCCCC=C1Br 1P01SIRB [0,1,0,1,0,0|1,0,0]=3 1999 B9R1.5 O=C1CCCCC=C1F 1P00049H [0,1,0,1,0,0|1,0,0]=3 2000 B9R1.5 O=C1CCCCCC1=O 1P007K1J [0,1,0,1,0,0|1,0,1]=4 2001 B9R1.5 O=C1NCCCC=C1Br 1P028F1B [0,1,0,1,0,0|1,0,0]=3 2002 B9R1.5 OC1CCCCCC1=O 1P023QLZ [0,1,0,1,0,0|0,0,2]=4 2003 B9R1.5 O[C@@H]1C=CCCC[C@H]1O 1P028VWN [0,1,0,1,0,0|0,0,2]=4 2004 B9R1.11 C=CC(=O)C1=CCCC1 1P01BCFC [0,1,0,1,0,0|1,0,0]=3 2005 B9R1.11 COC(=O)C1=CCCC1 1P003S0X [0,1,0,1,0,0|0,0,0]=2 2006 B9R1.11 COC(=O)C1=CCCO1 1P005HNO [0,1,0,1,0,0|1,0,0]=3 2007 B9R1.11 COC(=O)C1=CCOC1 1P002XE9 [0,1,0,1,0,0|1,0,0]=3 2008 B9R1.11 COC(=O)C1=CCSC1 1P003S2J [0,1,0,1,0,0|1,0,0]=3 2009 B9R1.11 COC(=O)C1=CSCC1 1P028QT6 [0,1,0,1,0,0|1,0,0]=3 2010 B9R1.11 COC(=O)C1=NOCC1 1P006Z2N [0,1,0,1,0,0|2,0,0]=4 2011 B9R1.11 COC(=O)C1CCC=C1 1P006Y0C [0,1,0,1,0,0|0,0,2]=4 2012 B9R1.11 COC(=O)C1CCCC1 1P003973 [0,1,0,1,0,0|0,0,2]=4 2013 B9R1.11 COC(=O)C1CCCN1 1P00DFHC [0,1,0,1,0,0|1,0,1]=4 2014 B9R1.11 COC(=O)C1CCCN1 1P00G418 [0,1,0,1,0,0|1,0,1]=4 2015 B9R1.11 COC(=O)C1CCCO1 1P003SJB [0,1,0,1,0,0|1,0,1]=4 2016 B9R1.11 COC(=O)N1CCCC1 1P00EFZQ [0,1,0,1,0,0|1,0,1]=4 2017 B9R1.11 COC(=O)[C@@H]1CCCN1 1P0039CV [0,1,0,1,0,0|1,0,1]=4 2018 B9R1.11 COC(=O)[C@H]1CCCN1 1P003QCV [0,1,0,1,0,0|1,0,1]=4 2019 B9R1.11 OCC(=O)N1CCCC1 1P01ABJE [0,1,0,1,0,0|1,0,1]=4 2020 B9R1.11 ONC(=O)C1CCCC1 1P01AHDY [0,1,0,1,0,0|0,0,2]=4 2021 B9R1.11 ONC(=O)C1CCCN1 1P01BGWG [0,1,0,1,0,0|1,0,1]=4 2022 B9R1.21 BrCc1ccc(o1)C=O 1P00CKZQ [0,1,0,1,0,0|1,0,1]=4 2023 B9R1.21 CCc1ccc([nH]1)C=O 1P00J30R [0,1,0,1,0,0|1,0,1]=4 2024 B9R1.21 CCc1ccc(o1)C#N 1P005260 [0,1,0,1,0,0|1,0,1]=4 2025 B9R1.21 CCc1ccc(o1)C=O 1P002MKX [0,1,0,1,0,0|0,0,1]=3 2026 B9R1.21 CCc1ccc(o1)CN 1P0286NP [0,1,0,1,0,0|1,0,1]=4 2027 B9R1.21 CCc1ccc(o1)CS 1P01EJ7Q [0,1,0,1,0,0|0,1,1]=4 2028 B9R1.21 CCc1ccc(s1)C=O 1P003N6R [0,1,0,1,0,0|0,1,1]=4 2029 B9R1.21 CCc1ccc(s1)CO 1P01DW6M [0,1,0,1,0,0|0,1,1]=4 2030 B9R1.21 CCc1cnc(o1)C=O 1P021U5E [0,1,0,1,0,0|1,0,1]=4 2031 B9R1.21 COc1ccc(o1)C=O 1P00BHX3 [0,1,0,1,0,0|1,0,1]=4 2032 B9R1.21 CSc1ccc(o1)C=O 1P01C2OB [0,1,0,1,0,0|1,0,1]=4 2033 B9R1.21 ClCc1ccc(o1)C=O 1P001TFT [0,1,0,1,0,0|1,0,1]=4 2034 B9R1.21 O=Cc1ccn(c1)CC 1P00CYIE [0,1,0,1,0,0|2,0,0]=4 2035 B9R1.21 O=Cc1ccn(n1)CC 1P0060LB [0,1,0,1,0,0|2,0,0]=4 2036 B9R1.21 OCc1ccc(o1)C=O 1P0034R0 [0,1,0,1,0,0|1,0,1]=4 2037 B9R1.21 OCc1ccn(n1)CC 1P00H9S1 [0,1,0,1,0,0|2,0,0]=4 2038 B9R1.50 O1C(CCCCCC1)=O 1P01FWHU [0,1,0,1,0,0|0,0,2]=4 2039 B9R1.50 O=C1NCCCCC=C1 1P007WTH [0,1,0,1,0,0|1,0,0]=3 2040 B9R1.79 COC(=O)C=C1CCC1 1P007ZKG [0,1,0,1,0,0|0,0,0]=2 2041 B9R1.79 COC(=O)C=C1CNC1 1P0208N8 [0,1,0,1,0,0|1,0,0]=3 2042 B9R1.79 COC(=O)C=C1COC1 1P008449 [0,1,0,1,0,0|1,0,0]=3 2043 B9R1.79 COC(=O)C=C1CSC1 1P00F5FB [0,1,0,1,0,0|1,0,0]=3 2044 B9R1.79 COC(=O)CC1CCC1 1P00685D [0,1,0,1,0,0|0,0,2]=4 2045 B9R1.79 OCC(=O)OC1CCC1 1P028K01 [0,1,0,1,0,0|1,0,1]=4 2046 B9R1.80 COC(=O)C#CC1CC1 1P00G95X [0,1,0,1,0,0|0,0,2]=4 2047 B9R1.80 COC(=O)C=CC1CC1 1P00IB3L [0,1,0,1,0,0|0,0,0]=2 2048 B9R1.80 COC(=O)CNC1CC1 1P018SOM [0,1,0,1,0,0|1,0,1]=4 2049 B9R1.89 OCC1CCCCC=C1 1P01EMS9 [0,1,0,1,0,0|1,0,1]=4 2050 B9R1.135 CC1=C(CC1=O)OCC 1P002WU9 [0,1,0,1,0,0|2,0,0]=4 2051 B9R1.6 CC(=O)C1=CNCCC1 1P019L18 [0,1,0,1,0,0|1,0,0]=3 2052 B9R1.6 CC(=O)C1=COCCC1 1P01BSDK [0,1,0,1,0,0|1,0,0]=3 2053 B9R1.6 CC(=O)C1=COCCO1 1P01A0MG [0,1,0,1,0,0|2,0,0]=4 2054 B9R1.6 NC(=O)C1=CCNCC1 1P028UNB [0,1,0,1,0,0|1,0,0]=3 2055 B9R1.6 NC(=O)C1=CNCCC1 1P00FAZF [0,1,0,1,0,0|1,0,0]=3 2056 B9R1.6 OB(C1=CCCCC1)O 1P003PLM [0,1,0,1,0,0|1,0,1]=4 2057 B9R1.6 OB(C1=CCOCC1)O 1P0001PZ [0,1,0,1,0,0|1,0,1]=4 2058 B9R1.6 OC(=O)C1=CCCCC1 1P003EPS [0,1,0,1,0,0|0,0,0]=2 2059 B9R1.6 OC(=O)C1=CCCCO1 1P0034MW [0,1,0,1,0,0|0,0,0]=2 2060 B9R1.6 OC(=O)C1=CCCNC1 1P00EFBN [0,1,0,1,0,0|0,0,0]=2 2061 B9R1.6 OC(=O)C1=CCCOC1 1P00022F [0,1,0,1,0,0|0,0,0]=2 2062 B9R1.6 OC(=O)C1=CCCSC1 1P01AI3M [0,1,0,1,0,0|0,0,0]=2 2063 B9R1.6 OC(=O)C1=CCNCC1 1P00330Q [0,1,0,1,0,0|0,0,0]=2 2064 B9R1.6 OC(=O)C1=CCOCC1 1P01A72P [0,1,0,1,0,0|0,0,0]=2 2065 B9R1.6 OC(=O)C1=COCCC1 1P00CLQT [0,1,0,1,0,0|0,0,0]=2 2066 B9R1.6 OC(=O)C1=COCCO1 1P00EJAE [0,1,0,1,0,0|1,0,0]=3 2067 B9R1.6 OC(=O)C1=CSCCO1 1P000GOL [0,1,0,1,0,0|1,0,0]=3 2068 B9R1.6 OC(=O)C1CCC=CC1 1P00345H [0,1,0,1,0,0|0,0,2]=4 2069 B9R1.6 OC(=O)C1CCCC=C1 1P01A4K3 [0,1,0,1,0,0|0,0,0]=2 2070 B9R1.6 OC(=O)C1CCCCC1 1P003546 [0,1,0,1,0,0|0,0,2]=4 2071 B9R1.6 OC(=O)C1CCCCN1 1P001QUT [0,1,0,1,0,0|0,0,2]=4 2072 B9R1.6 OC(=O)C1CCCCN1 1P0032UQ [0,1,0,1,0,0|0,0,2]=4 2073 B9R1.6 OC(=O)C1CCCCO1 1P003V5T [0,1,0,1,0,0|0,0,2]=4 2074 B9R1.6 OC(=O)C1CCCCS1 1P00DYOK [0,1,0,1,0,0|0,0,2]=4 2075 B9R1.6 OC(=O)C1CCCNC1 1P003TKX [0,1,0,1,0,0|0,0,2]=4 2076 B9R1.6 OC(=O)C1CCCNC1 1P019GDL [0,1,0,1,0,0|0,0,2]=4 2077 B9R1.6 OC(=O)C1CCCNN1 1P0202D4 [0,1,0,1,0,0|1,0,1]=4 2078 B9R1.6 OC(=O)C1CCCOC1 1P004OJR [0,1,0,1,0,0|0,0,2]=4 2079 B9R1.6 OC(=O)C1CCCSC1 1P001SWD [0,1,0,1,0,0|0,0,2]=4 2080 B9R1.6 OC(=O)C1CCCSS1 1P00AGUG [0,1,0,1,0,0|1,0,1]=4 2081 B9R1.6 OC(=O)C1CCNC=N1 1P01B2W3 [0,1,0,1,0,0|1,0,1]=4 2082 B9R1.6 OC(=O)C1CCNCC1 1P0035IM [0,1,0,1,0,0|0,0,2]=4 2083 B9R1.6 OC(=O)C1CCNCC1 1P00IB2W [0,1,0,1,0,0|0,0,2]=4 2084 B9R1.6 OC(=O)C1CCOCC1 1P00364U [0,1,0,1,0,0|0,0,2]=4 2085 B9R1.6 OC(=O)C1CCOCN1 1P0281IO [0,1,0,1,0,0|1,0,1]=4 2086 B9R1.6 OC(=O)C1CCSCC1 1P00364Z [0,1,0,1,0,0|0,0,2]=4 2087 B9R1.6 OC(=O)C1CCSCN1 1P00EEUN [0,1,0,1,0,0|1,0,1]=4 2088 B9R1.6 OC(=O)C1CCSCN1 1P00J29I [0,1,0,1,0,0|1,0,1]=4 2089 B9R1.6 OC(=O)C1CNCC=C1 1P028N0D [0,1,0,1,0,0|1,0,0]=3 2090 B9R1.6 OC(=O)C1CNCCN1 1P002UQ4 [0,1,0,1,0,0|1,0,1]=4 2091 B9R1.6 OC(=O)C1CNCCN1 1P00JKZR [0,1,0,1,0,0|1,0,1]=4 2092 B9R1.6 OC(=O)C1CNCCO1 1P003I7L [0,1,0,1,0,0|1,0,1]=4 2093 B9R1.6 OC(=O)C1CNCCO1 1P003I7M [0,1,0,1,0,0|1,0,1]=4 2094 B9R1.6 OC(=O)C1CNCCS1 1P0049RE [0,1,0,1,0,0|1,0,1]=4 2095 B9R1.6 OC(=O)C1COCCN1 1P00348D [0,1,0,1,0,0|1,0,1]=4 2096 B9R1.6 OC(=O)C1COCCN1 1P00348E [0,1,0,1,0,0|1,0,1]=4 2097 B9R1.6 OC(=O)C1COCCO1 1P003ZD6 [0,1,0,1,0,0|1,0,1]=4 2098 B9R1.6 OC(=O)C1CSCCN1 1P002KT8 [0,1,0,1,0,0|1,0,1]=4 2099 B9R1.6 OC(=O)C1CSCCN1 1P005U2E [0,1,0,1,0,0|1,0,1]=4 2100 B9R1.6 OC(=O)C1CSCCS1 1P019POD [0,1,0,1,0,0|1,0,1]=4 2101 B9R1.6 OC(=O)C1NCCC=C1 1P0206WO [0,1,0,1,0,0|1,0,0]=3 2102 B9R1.6 OC(=O)C1NCCCS1 1P005CY3 [0,1,0,1,0,0|1,0,1]=4 2103 B9R1.6 OC(=O)C1NCCCS1 1P028RJW [0,1,0,1,0,0|1,0,1]=4 2104 B9R1.6 OC(=O)C1NCCNC1 1P00I64V [0,1,0,1,0,0|1,0,1]=4 2105 B9R1.6 OC(=O)C1OCCCO1 1P01B1T9 [0,1,0,1,0,0|1,0,1]=4 2106 B9R1.6 OC(=O)C1SCCCS1 1P002A2N [0,1,0,1,0,0|1,0,1]=4 2107 B9R1.6 OC(=O)N1CCCCC1 1P01JI0G [0,1,0,1,0,0|0,0,2]=4 2108 B9R1.6 OC(=O)[C@@H]1CCC=CC1 1P003822 [0,1,0,1,0,0|0,0,2]=4 2109 B9R1.6 OC(=O)[C@@H]1CCCCN1 1P0032HJ [0,1,0,1,0,0|0,0,2]=4 2110 B9R1.6 OC(=O)[C@@H]1CCCCN1 1P0073ED [0,1,0,1,0,0|0,0,2]=4 2111 B9R1.6 OC(=O)[C@@H]1CCCCO1 1P007F1C [0,1,0,1,0,0|0,0,2]=4 2112 B9R1.6 OC(=O)[C@@H]1CCCNC1 1P008BRH [0,1,0,1,0,0|0,0,2]=4 2113 B9R1.6 OC(=O)[C@@H]1CCCNC1 1P00I59B [0,1,0,1,0,0|0,0,2]=4 2114 B9R1.6 OC(=O)[C@@H]1CCCNN1 1P01DN52 [0,1,0,1,0,0|1,0,1]=4 2115 B9R1.6 OC(=O)[C@@H]1CCCOC1 1P00NEMM [0,1,0,1,0,0|0,0,2]=4 2116 B9R1.6 OC(=O)[C@@H]1CNCCN1 1P007KK0 [0,1,0,1,0,0|1,0,1]=4 2117 B9R1.6 OC(=O)[C@@H]1CNCCO1 1P001J3F [0,1,0,1,0,0|1,0,1]=4 2118 B9R1.6 OC(=O)[C@@H]1COCCN1 1P003D2S [0,1,0,1,0,0|1,0,1]=4 2119 B9R1.6 OC(=O)[C@@H]1COCCN1 1P0081DN [0,1,0,1,0,0|1,0,1]=4 2120 B9R1.6 OC(=O)[C@@H]1COCCO1 1P0023WB [0,1,0,1,0,0|1,0,1]=4 2121 B9R1.6 OC(=O)[C@@H]1NCCNC1 1P000T44 [0,1,0,1,0,0|1,0,1]=4 2122 B9R1.6 OC(=O)[C@H]1CCC=CC1 1P00393M [0,1,0,1,0,0|0,0,2]=4 2123 B9R1.6 OC(=O)[C@H]1CCCCN1 1P00C087 [0,1,0,1,0,0|0,0,2]=4 2124 B9R1.6 OC(=O)[C@H]1CCCCO1 1P007F1B [0,1,0,1,0,0|0,0,2]=4 2125 B9R1.6 OC(=O)[C@H]1CCCNC1 1P0037MY [0,1,0,1,0,0|0,0,2]=4 2126 B9R1.6 OC(=O)[C@H]1CCCNC1 1P004WIX [0,1,0,1,0,0|0,0,2]=4 2127 B9R1.6 OC(=O)[C@H]1CCCOC1 1P01JUNC [0,1,0,1,0,0|0,0,2]=4 2128 B9R1.6 OC(=O)[C@H]1CNCCO1 1P000XF5 [0,1,0,1,0,0|1,0,1]=4 2129 B9R1.6 OC(=O)[C@H]1CNCCO1 1P009BB3 [0,1,0,1,0,0|1,0,1]=4 2130 B9R1.6 OC(=O)[C@H]1COCCN1 1P0039ZQ [0,1,0,1,0,0|1,0,1]=4 2131 B9R1.6 OC(=O)[C@H]1COCCN1 1P003CQE [0,1,0,1,0,0|1,0,1]=4 2132 B9R1.6 OC(=O)[C@H]1COCCO1 1P00AO1E [0,1,0,1,0,0|1,0,1]=4 2133 B9R1.6 OC(=O)[C@H]1CSCCN1 1P005OO5 [0,1,0,1,0,0|1,0,1]=4 2134 B9R1.6 OC(=O)[C@H]1NCCNC1 1P001R7K [0,1,0,1,0,0|1,0,1]=4 2135 B9R1.6 [O-][N+](=O)C1=CCCCC1 1P0033AB [0,1,0,1,0,0|1,0,1]=4 2136 B9R1.46 C[C@@H]1C[C@H]1CCC(=O)O 1P02888H [0,1,0,1,0,0|0,0,2]=4 2137 B9R1.46 C[C@@H]1C[C@H]1\C=C\C(=O)O 1P028CVI [0,1,0,1,0,0|0,0,0]=2 2138 B9R1.67 CC1CCN1CC(=O)O 1P01ALIX [0,1,0,1,0,0|0,0,2]=4 2139 B9R1.67 NC1CCC1CC(=O)O 1P028TTK [0,1,0,1,0,0|0,0,2]=4 2140 B9R1.84 OC(=O)C#CC1CCC1 1P01A5JC [0,1,0,1,0,0|0,0,2]=4 2141 B9R1.84 OC(=O)C#CC1CNC1 1P028PPD [0,1,0,1,0,0|0,0,2]=4 2142 B9R1.84 OC(=O)C=CC1CCC1 1P019UII [0,1,0,1,0,0|0,0,0]=2 2143 B9R1.84 OC(=O)CCC1CCC1 1P00D98Y [0,1,0,1,0,0|0,0,2]=4 2144 B9R1.84 OC(=O)CCN1CCC1 1P00IKOW [0,1,0,1,0,0|0,0,2]=4 2145 B9R1.84 OC(=O)CCN1CCC1 1P02904K [0,1,0,1,0,0|0,0,2]=4 2146 B9R1.84 OC(=O)CNC1CCC1 1P0284CG [0,1,0,1,0,0|0,0,2]=4 2147 B9R1.84 OC(=O)COC1CCC1 1P002EMZ [0,1,0,1,0,0|0,0,2]=4 2148 B9R1.84 OC(=O)COC1CNC1 1P01C6XS [0,1,0,1,0,0|1,0,1]=4 2149 B9R1.84 OC(=O)COC1CNC1 1P01C6XT [0,1,0,1,0,0|1,0,1]=4 2150 B9R1.84 OC(=O)\C=C\C1CCC1 1P01DH74 [0,1,0,1,0,0|0,0,0]=2 2151 B9R1.84 [O-][N+](=O)C=CC1CCC1 1P028G5P [0,1,0,1,0,0|1,0,1]=4 2152 B9R1.85 OC(=O)C#CCC1CC1 1P028L9D [0,1,0,1,0,0|0,0,2]=4 2153 B9R1.85 OC(=O)CCCC1CC1 1P01AL1K [0,1,0,1,0,0|0,0,2]=4 2154 B9R1.85 OC(=O)CCNC1CC1 1P0028H4 [0,1,0,1,0,0|0,0,2]=4 2155 B9R1.85 OC(=O)CCNC1CC1 1P019L49 [0,1,0,1,0,0|0,0,2]=4 2156 B9R1.85 OC(=O)CCOC1CC1 1P01BJDX [0,1,0,1,0,0|0,0,2]=4 2157 B9R1.85 OC(=O)CNCC1CC1 1P00F21A [0,1,0,1,0,0|0,0,2]=4 2158 B9R1.85 OC(=O)CNCC1CC1 1P01AD98 [0,1,0,1,0,0|0,0,2]=4 2159 B9R1.85 OC(=O)COCC1CC1 1P00C2X4 [0,1,0,1,0,0|0,0,2]=4 2160 B9R1.85 OC(=O)CSCC1CC1 1P00J2CH [0,1,0,1,0,0|0,0,2]=4 2161 B9R1.96 CCC1CCC1C(=O)O 1P01DXWD [0,1,0,1,0,0|0,0,2]=4 2162 B9R1.96 CCN1CCC1C(=O)O 1P01BV6E [0,1,0,1,0,0|0,0,2]=4 2163 B9R1.96 FC[C@@H]1CC[C@H]1C(=O)O 1P028HEX [0,1,0,1,0,0|0,0,2]=4 2164 B9R1.96 OCC1CCC1C(=O)O 1P022365 [0,1,0,1,0,0|0,0,2]=4 2165 B9R1.148 O=S1(=O)NCCCC=C1 1P028DDU [0,1,0,1,0,0|1,0,1]=4 2166 B9R1.23 CCC1CC(C(=O)O1)Br 1P0289JO [0,1,0,1,0,0|0,0,2]=4 2167 B9R1.23 ICC1CC(=C)C(=O)O1 1P028XEJ [0,1,0,1,0,0|1,0,1]=4 2168 B9R1.35 BrC1CCC(C1)C(=O)O 1P01DTVB [0,1,0,1,0,0|0,0,2]=4 2169 B9R1.35 CC(C1CCC(=O)O1)O 1P00CEV5 [0,1,0,1,0,0|0,0,2]=4 2170 B9R1.35 CC(C1CNC(=O)O1)C 1P018SIK [0,1,0,1,0,0|1,0,1]=4 2171 B9R1.35 CC(c1ccc(o1)Br)N 1P01JV5M [0,1,0,1,0,0|1,0,1]=4 2172 B9R1.35 CC(n1ccc(n1)O)C 1P002LEV [0,1,0,1,0,0|2,0,0]=4 2173 B9R1.35 CC1CC(=NO1)C(=O)O 1P028KSF [0,1,0,1,0,0|2,0,0]=4 2174 B9R1.35 CC1CCC(=C1)C(=O)O 1P01A00Q [0,1,0,1,0,0|0,0,0]=2 2175 B9R1.35 CC1CCC(C1)C(=O)O 1P00BFWE [0,1,0,1,0,0|0,0,2]=4 2176 B9R1.35 CC1CCC(O1)C(=O)O 1P01A08O [0,1,0,1,0,0|0,0,2]=4 2177 B9R1.35 CC1CCC(S1)C(=O)O 1P01A3XY [0,1,0,1,0,0|0,0,2]=4 2178 B9R1.35 CN1CC(=CC1)C(=O)O 1P028S9Q [0,1,0,1,0,0|1,0,0]=3 2179 B9R1.35 C[C@@H](c1ccc(o1)Br)N 1P01JV5J [0,1,0,1,0,0|1,0,1]=4 2180 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O 1P00ILRT [0,1,0,1,0,0|0,0,2]=4 2181 B9R1.35 C[C@@H]1C[C@H](NC1)C(=O)O 1P00BICG [0,1,0,1,0,0|1,0,1]=4 2182 B9R1.35 C[C@H](c1ccc(o1)Br)N 1P01JV5K [0,1,0,1,0,0|1,0,1]=4 2183 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O 1P00ILRW [0,1,0,1,0,0|0,0,2]=4 2184 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O 1P00FBCG [0,1,0,1,0,0|1,0,1]=4 2185 B9R1.35 Cc1ccc([nH]1)C(=O)O 1P00380V [0,1,0,1,0,0|0,0,2]=4 2186 B9R1.35 Cc1ccc(o1)C(=O)O 1P002FW0 [0,1,0,1,0,0|0,0,2]=4 2187 B9R1.35 Cc1ccc(o1)C(N)C 1P00EECV [0,1,0,1,0,0|1,0,1]=4 2188 B9R1.35 Cc1ccc(o1)[C@@H](O)C 1P019RPC [0,1,0,1,0,0|1,0,1]=4 2189 B9R1.35 Cc1ccc(o1)[C@H](N)C 1P01KA8N [0,1,0,1,0,0|1,0,1]=4 2190 B9R1.35 Cc1ccc(s1)C(=O)O 1P002FXV [0,1,0,1,0,0|0,0,2]=4 2191 B9R1.35 Cc1nc(c[nH]1)C(=O)O 1P00J21I [0,1,0,1,0,0|1,0,1]=4 2192 B9R1.35 Cc1nc(co1)C(=O)O 1P002MBJ [0,1,0,1,0,0|1,0,1]=4 2193 B9R1.35 Cc1nc(cs1)C(=O)O 1P00BYXQ [0,1,0,1,0,0|1,0,1]=4 2194 B9R1.35 Cc1nc(cs1)C(=O)O 1P01BF4Y [0,1,0,1,0,0|1,0,1]=4 2195 B9R1.35 Cc1ncc([nH]1)C(=O)O 1P001DSK [0,1,0,1,0,0|1,0,1]=4 2196 B9R1.35 Cc1ncc(o1)C(=O)O 1P0015U6 [0,1,0,1,0,0|1,0,1]=4 2197 B9R1.35 Cc1ncc(s1)C(=O)O 1P0033UI [0,1,0,1,0,0|1,0,1]=4 2198 B9R1.35 Cc1occ(c1)C(=O)O 1P00BGK8 [0,1,0,1,0,0|1,0,1]=4 2199 B9R1.35 Cc1scc(c1)C(=O)O 1P002FSF [0,1,0,1,0,0|1,0,1]=4 2200 B9R1.35 Cn1ccc(c1)C(=O)O 1P00CJ7K [0,1,0,1,0,0|1,0,1]=4 2201 B9R1.35 Cn1ccc(n1)C(=O)O 1P002QO3 [0,1,0,1,0,0|1,0,1]=4 2202 B9R1.35 Cn1nc(cn1)C(=O)O 1P01A8Z4 [0,1,0,1,0,0|2,0,0]=4 2203 B9R1.35 Cn1ncc(c1)C(=O)O 1P003EXY [0,1,0,1,0,0|2,0,0]=4 2204 B9R1.35 FC1CCC(C1)C(=O)O 1P00HYAH [0,1,0,1,0,0|0,0,2]=4 2205 B9R1.35 NC1CC(=CC1)C(=O)O 1P01B7AU [0,1,0,1,0,0|0,0,0]=2 2206 B9R1.35 NC1CC(C=C1)C(=O)O 1P019UK6 [0,1,0,1,0,0|0,0,2]=4 2207 B9R1.35 NC1CCC(C1)C(=O)O 1P003AA8 [0,1,0,1,0,0|0,0,2]=4 2208 B9R1.35 NC1CCC(C1)C(=O)O 1P003JE7 [0,1,0,1,0,0|0,0,2]=4 2209 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O 1P002F03 [0,1,0,1,0,0|0,0,2]=4 2210 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O 1P005Q45 [0,1,0,1,0,0|0,0,2]=4 2211 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O 1P0039RV [0,1,0,1,0,0|0,0,2]=4 2212 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O 1P00ADHG [0,1,0,1,0,0|1,0,1]=4 2213 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O 1P024HKR [0,1,0,1,0,0|1,0,1]=4 2214 B9R1.35 N[C@@H]1C[C@@H](C=C1)C(=O)O 1P000VLS [0,1,0,1,0,0|0,0,2]=4 2215 B9R1.35 N[C@@H]1C[C@@H](C=C1)C(=O)O 1P009G43 [0,1,0,1,0,0|0,0,2]=4 2216 B9R1.35 N[C@@H]1C[C@@H](NC1)C(=O)O 1P01XCO6 [0,1,0,1,0,0|1,0,1]=4 2217 B9R1.35 N[C@@H]1C[C@H](NC1)C(=O)O 1P00AM3G [0,1,0,1,0,0|1,0,1]=4 2218 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O 1P01FSS9 [0,1,0,1,0,0|0,0,2]=4 2219 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O 1P001FNY [0,1,0,1,0,0|0,0,2]=4 2220 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O 1P005Q44 [0,1,0,1,0,0|0,0,2]=4 2221 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O 1P00DIB8 [0,1,0,1,0,0|0,0,2]=4 2222 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O 1P00AMYG [0,1,0,1,0,0|1,0,1]=4 2223 B9R1.35 N[C@H]1C[C@@H](NC1)C(=O)O 1P002TAD [0,1,0,1,0,0|1,0,1]=4 2224 B9R1.35 N[C@H]1C[C@H](C=C1)C(=O)O 1P00089L [0,1,0,1,0,0|0,0,2]=4 2225 B9R1.35 N[C@H]1C[C@H](C=C1)C(=O)O 1P000VLR [0,1,0,1,0,0|0,0,2]=4 2226 B9R1.35 N[C@H]1C[C@H](NC1)C(=O)O 1P00AOGX [0,1,0,1,0,0|1,0,1]=4 2227 B9R1.35 O=C1CCC(=C1)C(=O)O 1P007D5E [0,1,0,1,0,0|0,0,1]=3 2228 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)Cl 1P028JLJ [0,1,0,1,0,0|1,0,1]=4 2229 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)F 1P0001IE [0,1,0,1,0,0|1,0,1]=4 2230 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)F 1P0032T5 [0,1,0,1,0,0|1,0,1]=4 2231 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)S 1P00G8ZQ [0,1,0,1,0,0|1,0,1]=4 2232 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)F 1P002QUC [0,1,0,1,0,0|1,0,1]=4 2233 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)F 1P00392O [0,1,0,1,0,0|1,0,1]=4 2234 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)S 1P00ILPJ [0,1,0,1,0,0|1,0,1]=4 2235 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)S 1P01K8E7 [0,1,0,1,0,0|1,0,1]=4 2236 B9R1.35 OC(=O)[C@H]1C[C@@H](CN1)F 1P000W42 [0,1,0,1,0,0|1,0,1]=4 2237 B9R1.35 OC(=O)[C@H]1C[C@@H](CN1)F 1P00HDBV [0,1,0,1,0,0|1,0,1]=4 2238 B9R1.35 OC(=O)[C@H]1C[C@H](CN1)F 1P00HYG2 [0,1,0,1,0,0|1,0,1]=4 2239 B9R1.35 OC(=O)c1c[nH]c(c1)C 1P000145 [0,1,0,1,0,0|1,0,1]=4 2240 B9R1.35 OC(=O)c1csc(n1)C 1P00J3X4 [0,1,0,1,0,0|1,0,1]=4 2241 B9R1.35 OC1CCC(C1)C(=O)O 1P00045D [0,1,0,1,0,0|0,0,2]=4 2242 B9R1.35 OC1CN[C@@H](C1)C(=O)O 1P005LO0 [0,1,0,1,0,0|1,0,1]=4 2243 B9R1.35 O[C@@H]1CC[C@@H](C1)C(=O)O 1P007VPN [0,1,0,1,0,0|0,0,2]=4 2244 B9R1.35 O[C@@H]1CC[C@H](C1)C(=O)O 1P00DLKM [0,1,0,1,0,0|0,0,2]=4 2245 B9R1.35 O[C@@H]1CN[C@@H](C1)C(=O)O 1P0037J1 [0,1,0,1,0,0|1,0,1]=4 2246 B9R1.35 O[C@@H]1CN[C@@H](C1)C(=O)O 1P003CDR [0,1,0,1,0,0|1,0,1]=4 2247 B9R1.35 O[C@@H]1CN[C@H](C1)C(=O)O 1P0032SZ [0,1,0,1,0,0|1,0,1]=4 2248 B9R1.35 O[C@@H]1CN[C@H](C1)C(=O)O 1P003VEQ [0,1,0,1,0,0|1,0,1]=4 2249 B9R1.35 O[C@H]1CC[C@@H](C1)C(=O)O 1P0095TY [0,1,0,1,0,0|0,0,2]=4 2250 B9R1.35 O[C@H]1CC[C@H](C1)C(=O)O 1P01DNL5 [0,1,0,1,0,0|0,0,2]=4 2251 B9R1.35 O[C@H]1CN[C@@H](C1)C(=O)O 1P00366L [0,1,0,1,0,0|1,0,1]=4 2252 B9R1.35 O[C@H]1CN[C@@H](C1)C(=O)O 1P00CM8S [0,1,0,1,0,0|1,0,1]=4 2253 B9R1.35 O[C@H]1CN[C@H](C1)C(=O)O 1P0039BL [0,1,0,1,0,0|1,0,1]=4 2254 B9R1.35 O[C@H]1CN[C@H](C1)C(=O)O 1P003PG0 [0,1,0,1,0,0|1,0,1]=4 2255 B9R1.45 CC1CC1C(C(=O)O)N 1P028YY8 [0,1,0,1,0,0|0,0,2]=4 2256 B9R1.93 CC[C@@H]1C[C@]1(N)C(=O)O 1P028WI1 [0,1,0,1,0,0|0,0,2]=4 2257 B9R1.95 CCC1CC(C1)C(=O)O 1P00FGGE [0,1,0,1,0,0|0,0,2]=4 2258 B9R1.110 C=C(C(=O)O)C1CCC1 1P01BBYZ [0,1,0,1,0,0|0,0,1]=3 2259 B9R1.110 CC(C(=O)O)C1CCC1 1P01AV1L [0,1,0,1,0,0|0,0,2]=4 2260 B9R1.110 CC(C(=O)O)N1CCC1 1P01FKPD [0,1,0,1,0,0|1,0,1]=4 2261 B9R1.110 FC(=C1CCC1)C(=O)O 1P01C40L [0,1,0,1,0,0|0,0,0]=2 2262 B9R1.110 FC(=C1CNC1)C(=O)O 1P028SAV [0,1,0,1,0,0|1,0,0]=3 2263 B9R1.110 FC(C(=O)O)C1CCC1 1P018KA7 [0,1,0,1,0,0|0,0,2]=4 2264 B9R1.110 NC(C(=O)O)C1CCC1 1P009D24 [0,1,0,1,0,0|0,0,2]=4 2265 B9R1.110 NC(C(=O)O)C1CCC1 1P00BFOT [0,1,0,1,0,0|0,0,2]=4 2266 B9R1.110 N[C@@H](C(=O)O)C1CCC1 1P00396C [0,1,0,1,0,0|0,0,2]=4 2267 B9R1.110 N[C@H](C(=O)O)C1CCC1 1P00I9BR [0,1,0,1,0,0|0,0,2]=4 2268 B9R1.110 O=C(C(=O)O)C1CCC1 1P006ZNK [0,1,0,1,0,0|0,0,1]=3 2269 B9R1.110 O=C(C(=O)O)N1CCC1 1P00GMT2 [0,1,0,1,0,0|1,0,0]=3 2270 B9R1.110 OC(C(=O)O)C1CCC1 1P01C2KK [0,1,0,1,0,0|0,0,2]=4 2271 B9R1.110 O[C@@H](C(=O)O)C1CCC1 1P01JUKK [0,1,0,1,0,0|0,0,2]=4 2272 B9R1.110 O[C@H](C(=O)O)C1CCC1 1P01KACY [0,1,0,1,0,0|0,0,2]=4 2273 B9R1.112 CC(C(=O)O)CC1CC1 1P01DRRR [0,1,0,1,0,0|0,0,2]=4 2274 B9R1.112 C\C(=C/C1CC1)\C(=O)O 1P01EMJC [0,1,0,1,0,0|0,0,0]=2 2275 B9R1.112 FC(C(=O)O)CC1CC1 1P01DW04 [0,1,0,1,0,0|0,0,2]=4 2276 B9R1.112 F\C(=C/C1CC1)\C(=O)O 1P01DWHK [0,1,0,1,0,0|0,0,0]=2 2277 B9R1.112 NC(C(=O)O)CC1CC1 1P001Q81 [0,1,0,1,0,0|0,0,2]=4 2278 B9R1.112 NC(C(=O)O)CC1CC1 1P0022DY [0,1,0,1,0,0|0,0,2]=4 2279 B9R1.112 N[C@@H](C(=O)O)CC1CC1 1P0016I4 [0,1,0,1,0,0|0,0,2]=4 2280 B9R1.112 N[C@H](C(=O)O)CC1CC1 1P0008PS [0,1,0,1,0,0|0,0,2]=4 2281 B9R1.112 O=C(C(=O)O)NC1CC1 1P0027W2 [0,1,0,1,0,0|1,0,0]=3 2282 B9R1.112 OC(C(=O)O)CC1CC1 1P01DY7U [0,1,0,1,0,0|0,0,2]=4 2283 B9R1.112 O[C@@H](C(=O)O)CC1CC1 1P00200A [0,1,0,1,0,0|0,0,2]=4 2284 B9R1.112 O[C@H](C(=O)O)CC1CC1 1P01JMSK [0,1,0,1,0,0|0,0,2]=4 2285 B9R1.163 CC1(CCC=C1)C(=O)O 1P01AC1R [0,1,0,1,0,0|0,0,2]=4 2286 B9R1.163 OC(=O)C1(Br)CCCC1 1P019YUI [0,1,0,1,0,0|0,0,2]=4 2287 B9R1.163 OC(=O)C1(C)CCCN1 1P00J2T3 [0,1,0,1,0,0|1,0,1]=4 2288 B9R1.163 OC(=O)C1(C)CCCO1 1P003I7E [0,1,0,1,0,0|1,0,1]=4 2289 B9R1.163 OC(=O)C1(C)CCCS1 1P019SZF [0,1,0,1,0,0|1,0,1]=4 2290 B9R1.163 OC(=O)C1(F)CCCC1 1P001OLT [0,1,0,1,0,0|0,0,2]=4 2291 B9R1.163 OC(=O)C1(N)CCCC1 1P00354G [0,1,0,1,0,0|0,0,2]=4 2292 B9R1.163 OC(=O)C1(O)CCCC1 1P001YIZ [0,1,0,1,0,0|0,0,2]=4 2293 B9R1.163 OC(=O)[C@@]1(C)CCCN1 1P000KH5 [0,1,0,1,0,0|1,0,1]=4 2294 B9R1.163 OC(=O)[C@@]1(C)CCCN1 1P00E91S [0,1,0,1,0,0|1,0,1]=4 2295 B9R1.163 OC(=O)[C@@]1(C)CCCO1 1P01HS9N [0,1,0,1,0,0|1,0,1]=4 2296 B9R1.163 OC(=O)[C@]1(C)CCCN1 1P001NC4 [0,1,0,1,0,0|1,0,1]=4 2297 B9R1.163 OC(=O)[C@]1(C)CCCN1 1P001TVX [0,1,0,1,0,0|1,0,1]=4 2298 B9R1.163 OC(=O)[C@]1(C)CCCO1 1P01GMXJ [0,1,0,1,0,0|1,0,1]=4 2299 B9R1.125 CC1(CC)CCC(=O)O1 1P00BTK5 [0,1,0,1,0,0|0,0,2]=4 2300 B9R1.127 CC1(CC)CC1C(=O)O 1P01A00M [0,1,0,1,0,0|0,0,2]=4 2301 B9R1.147 OC(=O)C#CC1(N)CC1 1P028S4H [0,1,0,1,0,0|0,0,2]=4 2302 B9R1.147 OC(=O)CCC1(C)CC1 1P004JGG [0,1,0,1,0,0|0,0,2]=4 2303 B9R1.147 OC(=O)CCC1(F)CC1 1P027V3V [0,1,0,1,0,0|0,0,2]=4 2304 B9R1.147 OC(=O)COC1(C)CC1 1P028MOQ [0,1,0,1,0,0|1,0,1]=4 2305 B9R1.161 CC(C1CC1C(=O)O)O 1P028OJL [0,1,0,1,0,0|0,0,2]=4 2306 B9R1.161 CC([C@@H]1C[C@H]1C(=O)O)N 1P028TPB [0,1,0,1,0,0|0,0,2]=4 2307 B9R1.166 OC(=O)C1CCC1(C)C 1P01A2E9 [0,1,0,1,0,0|0,0,2]=4 2308 B9R1.166 OC(=O)C1NCC1(C)C 1P01C0IV [0,1,0,1,0,0|1,0,1]=4 2309 B9R1.166 OC(=O)C1OCC1(C)C 1P028PS1 [0,1,0,1,0,0|1,0,1]=4 2310 B9R1.166 OC(=O)[C@@H]1NCC1(C)C 1P01JURD [0,1,0,1,0,0|1,0,1]=4 2311 B9R1.166 OC(=O)[C@H]1NCC1(C)C 1P00ILKZ [0,1,0,1,0,0|1,0,1]=4 2312 B9R2.20 O=C1OCC2C1CC2 1P028HEY [0,0,0,2,0,0|0,0,2]=4 2313 B9R2.33 O=C1OC2C(N1)CC2 1P01A5KM [0,0,0,2,0,0|1,0,1]=4 2314 B9R2.39 O=C1O[C@H]2C[C@@H]1NC2 1P008P01 [0,0,0,2,0,0|1,0,1]=4 2315 B9R2.139 O=C1C=CC2(C1)CC2 1P000C66 [0,0,0,2,0,0|1,0,0]=3 2316 B9R2.139 O=C1NCC2(O1)CC2 1P01XAF9 [0,0,0,2,0,0|1,0,1]=4 2317 B9R2.144 OC(=O)C12CCC1C2 1P01BU4E [0,0,0,2,0,0|0,0,2]=4 2318 B9R2.150 OC(=O)C1CC2C1C2 1P01XBSJ [0,0,0,2,0,0|0,0,2]=4 2319 B9R2.52 C1CCC2C(C=C1)O2 1P01IXH2 [0,0,0,2,0,0|1,0,1]=4 2320 B9R2.143 OC(=O)C1CC12CC2 1P00ABGH [0,0,0,2,0,0|0,0,2]=4