0 B7R0.6 BrC(=C)CCC(=O)O 1P01V5WY [0,0,0,0,0,0|1,0,1]=2 1 B7R0.6 CC(=C)CCC(=O)C 1P003NCD [0,0,0,0,0,0|2,0,0]=2 2 B7R0.6 CC(=C)CCC(=O)O 1P0001EL [0,0,0,0,0,0|1,0,0]=1 3 B7R0.6 CC(=C)CNC(=S)N 1P01AAD6 [0,0,0,0,0,0|3,1,0]=4 4 B7R0.6 CC(=NNC(=O)C)C 1P00C6UV [0,0,0,0,0,0|4,0,0]=4 5 B7R0.6 CC(=NOC(=O)C)C 1P01XCOR [0,0,0,0,0,0|4,0,0]=4 6 B7R0.6 CC(=O)C=CC(=O)O 1P003414 [0,0,0,0,0,0|0,0,2]=2 7 B7R0.6 CC(=O)CCC(=O)C 1P003GHY [0,0,0,0,0,0|1,0,0]=1 8 B7R0.6 CC(=O)CCC(=O)O 1P000KEL [0,0,0,0,0,0|0,0,0]=0 9 B7R0.6 CC(=O)COC(C)C 1P0071XC [0,0,0,0,0,0|3,0,1]=4 10 B7R0.6 CC(=O)NC=C(Cl)Cl 1P01A80I [0,0,0,0,0,0|3,0,1]=4 11 B7R0.6 CC(=O)NCC(=O)C 1P0036XR [0,0,0,0,0,0|2,0,0]=2 12 B7R0.6 CC(=O)NCC(=O)N 1P002SQ3 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.6 CC(=O)NCC(=O)O 1P0033J8 [0,0,0,0,0,0|1,0,0]=1 14 B7R0.6 CC(=O)NNC(=O)C 1P003PRJ [0,0,0,0,0,0|3,0,0]=3 15 B7R0.6 CC(=O)NNC(=S)N 1P002MD3 [0,0,0,0,0,0|3,1,0]=4 16 B7R0.6 CC(=O)OCC(=O)C 1P003IAP [0,0,0,0,0,0|2,0,0]=2 17 B7R0.6 CC(=O)OCC(=O)Cl 1P0018ZD [0,0,0,0,0,0|2,0,0]=2 18 B7R0.6 CC(=O)OCC(=O)O 1P0018ZE [0,0,0,0,0,0|1,0,0]=1 19 B7R0.6 CC(=O)OCC(=S)N 1P019NXX [0,0,0,0,0,0|2,1,0]=3 20 B7R0.6 CC(=O)SCC(=O)O 1P000PI2 [0,0,0,0,0,0|1,0,0]=1 21 B7R0.6 CC(C#CC(=O)O)C 1P01ANWI [0,0,0,0,0,0|1,0,3]=4 22 B7R0.6 CC(C#CC(=O)O)N 1P0284K5 [0,0,0,0,0,0|1,0,3]=4 23 B7R0.6 CC(C=CC(=O)O)C 1P003M70 [0,0,0,0,0,0|1,0,3]=4 24 B7R0.6 CC(CCB(O)O)C 1P003RKW [0,0,0,0,0,0|2,0,2]=4 25 B7R0.6 CC(CCC(=C)C)Br 1P01DWFQ [0,0,0,0,0,0|3,0,1]=4 26 B7R0.6 CC(CCC(=C)C)N 1P01DVQ0 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.6 CC(CCC(=C)C)O 1P006YC2 [0,0,0,0,0,0|2,0,1]=3 28 B7R0.6 CC(CCC(=N)N)C 1P00J1UE [0,0,0,0,0,0|3,0,1]=4 29 B7R0.6 CC(CCC(=O)C)C 1P003NBT [0,0,0,0,0,0|2,0,1]=3 30 B7R0.6 CC(CCC(=O)C)Cl 1P0007YL [0,0,0,0,0,0|2,0,1]=3 31 B7R0.6 CC(CCC(=O)Cl)C 1P003M9S [0,0,0,0,0,0|2,0,1]=3 32 B7R0.6 CC(CCC(=O)Cl)Cl 1P00IBOS [0,0,0,0,0,0|2,0,1]=3 33 B7R0.6 CC(CCC(=O)N)C 1P007DVM [0,0,0,0,0,0|2,0,1]=3 34 B7R0.6 CC(CCC(=O)O)Br 1P01A4B3 [0,0,0,0,0,0|1,0,1]=2 35 B7R0.6 CC(CCC(=O)O)C 1P003M9R [0,0,0,0,0,0|1,0,1]=2 36 B7R0.6 CC(CCC(=O)O)N 1P001A2N [0,0,0,0,0,0|1,0,1]=2 37 B7R0.6 CC(CCC(=O)O)N 1P01AKAQ [0,0,0,0,0,0|1,0,1]=2 38 B7R0.6 CC(CCC(=O)O)O 1P0038KW [0,0,0,0,0,0|0,0,2]=2 39 B7R0.6 CC(CCC(=O)O)S 1P000P7Q [0,0,0,0,0,0|0,1,1]=2 40 B7R0.6 CC(CCC(=O)[O-])O 1P003BDK [0,0,0,0,0,0|0,0,3]=3 41 B7R0.6 CC(CCC(=S)N)C 1P019VQG [0,0,0,0,0,0|2,1,1]=4 42 B7R0.6 CC(CCC(O)C)C 1P003NBS [0,0,0,0,0,0|2,0,2]=4 43 B7R0.6 CC(CCC(O)C)O 1P002YLC [0,0,0,0,0,0|1,0,3]=4 44 B7R0.6 CC(CCS(=O)C)N 1P019S9Q [0,0,0,0,0,0|3,0,1]=4 45 B7R0.6 CC(CCS(=O)Cl)C 1P01C9KM [0,0,0,0,0,0|3,0,1]=4 46 B7R0.6 CC(CC[N+](=O)[O-])C 1P00F3IP [0,0,0,0,0,0|2,0,2]=4 47 B7R0.6 CC(CNC(=O)C)O 1P00719V [0,0,0,0,0,0|2,0,1]=3 48 B7R0.6 CC(CNC(=O)N)C 1P003RJM [0,0,0,0,0,0|3,0,1]=4 49 B7R0.6 CC(NCC(=O)C)C 1P01ANL3 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.6 CC(NCC(=O)N)C 1P00G7RH [0,0,0,0,0,0|3,0,1]=4 51 B7R0.6 CC(NCC(=O)N)C 1P019JUE [0,0,0,0,0,0|3,0,1]=4 52 B7R0.6 CC(NCC(=O)O)C 1P00C901 [0,0,0,0,0,0|2,0,1]=3 53 B7R0.6 CC(NCC(=O)O)C 1P019MFH [0,0,0,0,0,0|2,0,1]=3 54 B7R0.6 CC(OCC(=O)Cl)C 1P01E7J0 [0,0,0,0,0,0|3,0,1]=4 55 B7R0.6 CC(OCC(=O)O)C 1P007FU5 [0,0,0,0,0,0|2,0,1]=3 56 B7R0.6 CC(SCC(=O)O)C 1P006WX6 [0,0,0,0,0,0|2,0,1]=3 57 B7R0.6 CC(\C=C\C(=O)O)C 1P001XCU [0,0,0,0,0,0|1,0,3]=4 58 B7R0.6 CN(CCC(=N)N)C 1P00J2JR [0,0,0,0,0,0|4,0,0]=4 59 B7R0.6 CN(CCC(=O)C)C 1P00C2GG [0,0,0,0,0,0|3,0,0]=3 60 B7R0.6 CN(CCC(=O)C)C 1P00J3Y6 [0,0,0,0,0,0|3,0,0]=3 61 B7R0.6 CN(CCC(=O)Cl)C 1P00GYU2 [0,0,0,0,0,0|3,0,0]=3 62 B7R0.6 CN(CCC(=O)N)C 1P002DMK [0,0,0,0,0,0|3,0,0]=3 63 B7R0.6 CN(CCC(=O)O)C 1P001FQ6 [0,0,0,0,0,0|2,0,0]=2 64 B7R0.6 CN(CCC(=O)O)C 1P00E97T [0,0,0,0,0,0|2,0,0]=2 65 B7R0.6 CN(CCC(=S)N)C 1P019MZY [0,0,0,0,0,0|3,1,0]=4 66 B7R0.6 CN(CCC(O)C)C 1P01A6E5 [0,0,0,0,0,0|3,0,1]=4 67 B7R0.6 CN(CC[C@@H](O)C)C 1P028PGW [0,0,0,0,0,0|3,0,1]=4 68 B7R0.6 CN(CC[C@H](O)C)C 1P028ZZT [0,0,0,0,0,0|3,0,1]=4 69 B7R0.6 CS(=O)CCC(=O)O 1P001DGF [0,0,0,0,0,0|1,0,0]=1 70 B7R0.6 C[C@@H](CCC(=O)O)N 1P028SQ6 [0,0,0,0,0,0|1,0,1]=2 71 B7R0.6 C[C@@H](CC[C@@H](O)C)O 1P003C6C [0,0,0,0,0,0|1,0,3]=4 72 B7R0.6 C[C@H](CCC(=O)O)N 1P01P6YP [0,0,0,0,0,0|1,0,1]=2 73 B7R0.6 C[C@H](CCC(=O)O)S 1P028IQP [0,0,0,0,0,0|0,1,1]=2 74 B7R0.6 C[C@H](CC[C@H](O)C)O 1P003C58 [0,0,0,0,0,0|1,0,3]=4 75 B7R0.6 C[S+](CCC(=O)O)C 1P002KXE [0,0,0,0,0,0|2,0,0]=2 76 B7R0.6 C[S+](CCC(=O)O)C 1P003C35 [0,0,0,0,0,0|2,0,0]=2 77 B7R0.6 C[S+](CCC(=O)[O-])C 1P003Q49 [0,0,0,0,0,0|2,0,1]=3 78 B7R0.6 ClC(=C)CCC(=O)O 1P01DWZ5 [0,0,0,0,0,0|1,0,1]=2 79 B7R0.6 ClC(=C)CSC(=O)C 1P00I57X [0,0,0,0,0,0|3,0,0]=3 80 B7R0.6 ClC(=O)CCC(=O)Cl 1P003UX8 [0,0,0,0,0,0|2,0,0]=2 81 B7R0.6 ClC(=O)SSC(=O)Cl 1P01DWXE [0,0,0,0,0,0|4,0,0]=4 82 B7R0.6 ClC(=O)\C=C\C(=O)Cl 1P0035F8 [0,0,0,0,0,0|2,0,2]=4 83 B7R0.6 ClC(CCC(=O)C)Cl 1P0292ZI [0,0,0,0,0,0|2,0,1]=3 84 B7R0.6 ClC(CCC(=O)O)Cl 1P01BSXU [0,0,0,0,0,0|2,0,1]=3 85 B7R0.6 FC(CCC(=O)C)F 1P01C0W2 [0,0,0,0,0,0|2,0,1]=3 86 B7R0.6 FC(CCC(=O)O)F 1P006BJ8 [0,0,0,0,0,0|2,0,1]=3 87 B7R0.6 FC(COC(=O)C)F 1P001O00 [0,0,0,0,0,0|3,0,1]=4 88 B7R0.6 FC(OCC(=O)O)F 1P01BECR [0,0,0,0,0,0|3,0,1]=4 89 B7R0.6 FC(SCC(=O)O)F 1P01DXRY [0,0,0,0,0,0|3,0,1]=4 90 B7R0.6 NC(=N)NCC(=O)O 1P003RAC [0,0,0,0,0,0|3,0,0]=3 91 B7R0.6 NC(=O)C#CC(=O)N 1P00DI9A [0,0,0,0,0,0|2,0,2]=4 92 B7R0.6 NC(=O)CCC(=O)N 1P003UWW [0,0,0,0,0,0|2,0,0]=2 93 B7R0.6 NC(=O)CCC(=O)O 1P003UWV [0,0,0,0,0,0|1,0,0]=1 94 B7R0.6 NC(=O)NCC(=O)O 1P00D8YO [0,0,0,0,0,0|2,0,0]=2 95 B7R0.6 NC(=O)NN=C(C)C 1P003O3Y [0,0,0,0,0,0|4,0,0]=4 96 B7R0.6 NC(=O)NNC(=O)N 1P003SZI [0,0,0,0,0,0|4,0,0]=4 97 B7R0.6 NC(=O)\C=C/C(=O)N 1P003RW6 [0,0,0,0,0,0|2,0,2]=4 98 B7R0.6 NC(=O)\C=C/C(=O)O 1P0035KY [0,0,0,0,0,0|1,0,2]=3 99 B7R0.6 NC(=O)\C=C\C(=O)N 1P003R5Q [0,0,0,0,0,0|2,0,2]=4 100 B7R0.6 OB(CCC(=O)O)O 1P01B8PX [0,0,0,0,0,0|2,0,1]=3 101 B7R0.6 OB(CNC(=O)C)O 1P01A7DI [0,0,0,0,0,0|2,0,1]=3 102 B7R0.6 OC(=O)C#CC(=O)O 1P003O4J [0,0,0,0,0,0|1,0,2]=3 103 B7R0.6 OC(=O)C=C=C(C)C 1P01GKTU [0,0,0,0,0,0|1,0,2]=3 104 B7R0.6 OC(=O)CC=C(C)C 1P00389R [0,0,0,0,0,0|1,0,1]=2 105 B7R0.6 OC(=O)CCC(=O)O 1P003UWX [0,0,0,0,0,0|1,0,0]=1 106 B7R0.6 OC(=O)CCC(=O)O 1P00BCU9 [0,0,0,0,0,0|1,0,0]=1 107 B7R0.6 OC(=O)CCC(=O)O 1P00I4UF [0,0,0,0,0,0|1,0,0]=1 108 B7R0.6 OC(=O)CCC(=O)O 1P00I5VN [0,0,0,0,0,0|1,0,0]=1 109 B7R0.6 OC(=O)CNC(=S)C 1P00IN1C [0,0,0,0,0,0|1,1,0]=2 110 B7R0.6 OC(=O)CN[N+](=O)[O-] 1P009RTK [0,0,0,0,0,0|3,0,0]=3 111 B7R0.6 OC(=O)CSC(=N)N 1P005IKU [0,0,0,0,0,0|3,0,0]=3 112 B7R0.6 OC(=O)CSC(=N)N 1P019G9E [0,0,0,0,0,0|3,0,0]=3 113 B7R0.6 OC(=O)\C=C/C(=O)O 1P0039G6 [0,0,0,0,0,0|1,0,2]=3 114 B7R0.6 OC(=O)\C=C/C(=O)O 1P003RW7 [0,0,0,0,0,0|1,0,2]=3 115 B7R0.6 OC(=O)\C=C/C(=O)O 1P00FASS [0,0,0,0,0,0|1,0,2]=3 116 B7R0.6 OC(=O)\C=C\C(=O)O 1P001G63 [0,0,0,0,0,0|1,0,2]=3 117 B7R0.6 OC(=O)\C=C\C(=O)O 1P002JTO [0,0,0,0,0,0|1,0,2]=3 118 B7R0.6 OC(=O)\C=C\C(=O)O 1P0035F6 [0,0,0,0,0,0|1,0,2]=3 119 B7R0.6 OC(=O)\C=C\C(=O)O 1P00BCCL [0,0,0,0,0,0|1,0,2]=3 120 B7R0.6 OC(=O)\C=C\C(=O)O 1P00G4L9 [0,0,0,0,0,0|1,0,2]=3 121 B7R0.6 OC(=O)\C=C\C(=O)O 1P00IM4G [0,0,0,0,0,0|1,0,2]=3 122 B7R0.6 [O-]C(=O)C#CC(=O)O 1P028PN1 [0,0,0,0,0,0|1,0,2]=3 123 B7R0.6 [O-]C(=O)C=CC(=O)[O-] 1P003UT8 [0,0,0,0,0,0|1,0,3]=4 124 B7R0.6 [O-]C(=O)CCC(=O)C 1P002C2S [0,0,0,0,0,0|0,0,1]=1 125 B7R0.6 [O-]C(=O)CCC(=O)C 1P003P4T [0,0,0,0,0,0|0,0,1]=1 126 B7R0.6 [O-]C(=O)CCC(=O)C 1P00IMYY [0,0,0,0,0,0|0,0,1]=1 127 B7R0.6 [O-]C(=O)CCC(=O)O 1P001OMB [0,0,0,0,0,0|1,0,0]=1 128 B7R0.6 [O-]C(=O)CCC(=O)[O-] 1P001MOL [0,0,0,0,0,0|1,0,1]=2 129 B7R0.6 [O-]C(=O)CCC(=O)[O-] 1P003P1U [0,0,0,0,0,0|1,0,1]=2 130 B7R0.6 [O-]C(=O)CCC(=O)[O-] 1P00E0SH [0,0,0,0,0,0|1,0,1]=2 131 B7R0.6 [O-]C(=O)CCC(=O)[O-] 1P00IKWV [0,0,0,0,0,0|1,0,1]=2 132 B7R0.6 [O-]C(=O)CCC(=O)[O-] 1P01KL3Q [0,0,0,0,0,0|1,0,1]=2 133 B7R0.6 [O-]C(=O)\C=C/C(=O)O 1P0032HL [0,0,0,0,0,0|1,0,2]=3 134 B7R0.6 [O-]C(=O)\C=C/C(=O)O 1P00FASU [0,0,0,0,0,0|1,0,2]=3 135 B7R0.6 [O-]C(=O)\C=C\C(=O)O 1P003UTI [0,0,0,0,0,0|1,0,2]=3 136 B7R0.6 [O-][N+](=O)CCC(=O)C 1P00ERGU [0,0,0,0,0,0|1,0,1]=2 137 B7R0.6 [O-][N+](=O)CCC(=O)O 1P003KAI [0,0,0,0,0,0|2,0,0]=2 138 B6R0.4 BrCCCC(=C)C 1P00I8IN [1,0,0,0,0,0|2,0,1]=4 139 B6R0.4 BrCCCC(=O)C 1P003N1I [1,0,0,0,0,0|1,0,1]=3 140 B6R0.4 BrCCCC(=O)Cl 1P0034F2 [1,0,0,0,0,0|2,0,1]=4 141 B6R0.4 BrCCCC(=O)O 1P002SV1 [1,0,0,0,0,0|1,0,1]=3 142 B6R0.4 C#CCCC(=O)C 1P006UKG [1,0,0,0,0,0|1,0,1]=3 143 B6R0.4 C#CCCC(=O)Cl 1P01BD9J [1,0,0,0,0,0|1,0,2]=4 144 B6R0.4 C#CCCC(=O)O 1P0036LK [1,0,0,0,0,0|0,0,2]=3 145 B6R0.4 C#CCCC(=O)[O-] 1P008U0A [1,0,0,0,0,0|0,0,3]=4 146 B6R0.4 C(CCC#C)(=O)N 1P01FWYV [1,0,0,0,0,0|1,0,2]=4 147 B6R0.4 C=CC=CC(=O)O 1P00IBIF [1,0,0,0,0,0|0,0,3]=4 148 B6R0.4 C=CCCB(O)O 1P003P1R [1,0,0,0,0,0|1,0,2]=4 149 B6R0.4 C=CCCC(=O)C 1P0034QR [1,0,0,0,0,0|1,0,0]=2 150 B6R0.4 C=CCCC(=O)Cl 1P003MF0 [1,0,0,0,0,0|1,0,1]=3 151 B6R0.4 C=CCCC(=O)N 1P005PYG [1,0,0,0,0,0|1,0,1]=3 152 B6R0.4 C=CCCC(=O)O 1P0037ZD [1,0,0,0,0,0|0,0,1]=2 153 B6R0.4 C=CCCC(Br)C 1P006ZZA [1,0,0,0,0,0|2,0,1]=4 154 B6R0.4 C=CCCC(N)C 1P01PZMX [1,0,0,0,0,0|2,0,1]=4 155 B6R0.4 C=CCCC(O)C 1P003ZLZ [1,0,0,0,0,0|1,0,2]=4 156 B6R0.4 C=CCCC(O)C 1P019THJ [1,0,0,0,0,0|1,0,2]=4 157 B6R0.4 C=CCCS(=O)[O-] 1P028JDI [1,0,0,0,0,0|1,0,2]=4 158 B6R0.4 C=CCC[C@@H](O)C 1P001ZSP [1,0,0,0,0,0|1,0,2]=4 159 B6R0.4 C=CCC[C@H](O)C 1P001ZSO [1,0,0,0,0,0|1,0,2]=4 160 B6R0.4 C=C\C=C/C(=O)O 1P01DEBA [1,0,0,0,0,0|0,0,3]=4 161 B6R0.4 C=C\C=C\C(=O)O 1P0070UZ [1,0,0,0,0,0|0,0,3]=4 162 B6R0.4 CC(=C)CN=C=O 1P028K6Z [1,0,0,0,0,0|2,0,1]=4 163 B6R0.4 CC(=O)CSC#N 1P002ZXU [1,0,0,0,0,0|2,0,1]=4 164 B6R0.4 CC(=O)NCC#C 1P00FXQ5 [1,0,0,0,0,0|2,0,1]=4 165 B6R0.4 CC(=O)NCC#N 1P003SUU [1,0,0,0,0,0|2,0,1]=4 166 B6R0.4 CC(=O)NCC=C 1P005X25 [1,0,0,0,0,0|2,0,0]=3 167 B6R0.4 CC(=O)NCCCl 1P008R49 [1,0,0,0,0,0|2,0,1]=4 168 B6R0.4 CC(=O)NCCN 1P0001ES [1,0,0,0,0,0|2,0,1]=4 169 B6R0.4 CC(=O)NCCO 1P003SQ9 [1,0,0,0,0,0|1,0,1]=3 170 B6R0.4 CC(=O)NCCS 1P000PGX [1,0,0,0,0,0|1,1,1]=4 171 B6R0.4 CC(=O)OCC#C 1P003UFK [1,0,0,0,0,0|2,0,1]=4 172 B6R0.4 CC(=O)OCC#N 1P00983E [1,0,0,0,0,0|2,0,1]=4 173 B6R0.4 CC(=O)OCCBr 1P0033N2 [1,0,0,0,0,0|2,0,1]=4 174 B6R0.4 CC(=O)OCCCl 1P003O37 [1,0,0,0,0,0|2,0,1]=4 175 B6R0.4 CC(=O)OCCN 1P01BHMJ [1,0,0,0,0,0|2,0,1]=4 176 B6R0.4 CC(=O)OCCO 1P003BP4 [1,0,0,0,0,0|1,0,1]=3 177 B6R0.4 CC(=O)SCC#C 1P001378 [1,0,0,0,0,0|2,0,1]=4 178 B6R0.4 CC(=O)SCC#N 1P00EBIB [1,0,0,0,0,0|2,0,1]=4 179 B6R0.4 CC(=O)SCCBr 1P01C2AP [1,0,0,0,0,0|2,0,1]=4 180 B6R0.4 CC(=O)SCCN 1P0021WX [1,0,0,0,0,0|2,0,1]=4 181 B6R0.4 CCC#CC(=O)O 1P003IAY [1,0,0,0,0,0|0,0,3]=4 182 B6R0.4 CCCCB(O)O 1P00351E [1,0,0,0,0,0|1,0,2]=4 183 B6R0.4 CCCCC(=C)C 1P003I1X [1,0,0,0,0,0|2,0,1]=4 184 B6R0.4 CCCCC(=N)N 1P0024GH [1,0,0,0,0,0|2,0,1]=4 185 B6R0.4 CCCCC(=N)N 1P008RZF [1,0,0,0,0,0|2,0,1]=4 186 B6R0.4 CCCCC(=O)Br 1P002HYG [1,0,0,0,0,0|1,0,1]=3 187 B6R0.4 CCCCC(=O)Cl 1P003698 [1,0,0,0,0,0|1,0,1]=3 188 B6R0.4 CCCCC(=O)N 1P0035X7 [1,0,0,0,0,0|1,0,1]=3 189 B6R0.4 CCCCC(=O)O 1P003696 [1,0,0,0,0,0|0,0,1]=2 190 B6R0.4 CCCCC(=O)[O-] 1P003697 [1,0,0,0,0,0|0,0,2]=3 191 B6R0.4 CCCCC(=S)N 1P001WK5 [1,0,0,0,0,0|1,1,1]=4 192 B6R0.4 CCCCC(O)C 1P003HTP [1,0,0,0,0,0|1,0,2]=4 193 B6R0.4 CCCCS(=O)Cl 1P0070TR [1,0,0,0,0,0|2,0,1]=4 194 B6R0.4 CCCCS(=O)[O-] 1P01BCHF [1,0,0,0,0,0|1,0,2]=4 195 B6R0.4 CCCC[C@@H](O)C 1P003CXC [1,0,0,0,0,0|1,0,2]=4 196 B6R0.4 CCCC[C@H](O)C 1P002U47 [1,0,0,0,0,0|1,0,2]=4 197 B6R0.4 CCCC[N+](=O)[O-] 1P003F12 [1,0,0,0,0,0|1,0,2]=4 198 B6R0.4 CCCC[Sn](=O)O 1P003P30 [1,0,0,0,0,0|1,0,1]=3 199 B6R0.4 CCCNC(=O)C 1P003SVI [1,0,0,0,0,0|2,0,1]=4 200 B6R0.4 CCCNC(=O)Cl 1P00D7IN [1,0,0,0,0,0|2,0,1]=4 201 B6R0.4 CCCNC(=O)N 1P003TSP [1,0,0,0,0,0|2,0,1]=4 202 B6R0.4 CCCOC(=O)F 1P01B7MD [1,0,0,0,0,0|2,0,1]=4 203 B6R0.4 CCCOC(=O)N 1P00EB3O [1,0,0,0,0,0|2,0,1]=4 204 B6R0.4 CCCSC(=O)C 1P002MLH [1,0,0,0,0,0|2,0,1]=4 205 B6R0.4 CCNCC(=O)C 1P01AMEX [1,0,0,0,0,0|2,0,1]=4 206 B6R0.4 CCNCC(=O)N 1P01BDEX [1,0,0,0,0,0|2,0,1]=4 207 B6R0.4 CCNCC(=O)O 1P003TH0 [1,0,0,0,0,0|1,0,1]=3 208 B6R0.4 CCNCC(=O)O 1P00DUFI [1,0,0,0,0,0|1,0,1]=3 209 B6R0.4 CCOCC(=O)C 1P001LKY [1,0,0,0,0,0|2,0,1]=4 210 B6R0.4 CCOCC(=O)Cl 1P001D7O [1,0,0,0,0,0|2,0,1]=4 211 B6R0.4 CCOCC(=O)O 1P0033R4 [1,0,0,0,0,0|1,0,1]=3 212 B6R0.4 CCSCC(=O)C 1P003CHU [1,0,0,0,0,0|2,0,1]=4 213 B6R0.4 CCSCC(=O)O 1P003BF5 [1,0,0,0,0,0|1,0,1]=3 214 B6R0.4 CC\C=C/C(=O)O 1P00B62Y [1,0,0,0,0,0|0,0,3]=4 215 B6R0.4 CC\C=C\C(=O)O 1P001C9L [1,0,0,0,0,0|0,0,3]=4 216 B6R0.4 CNCCC(=O)C 1P01A3QD [1,0,0,0,0,0|2,0,0]=3 217 B6R0.4 CNCCC(=O)N 1P003IPF [1,0,0,0,0,0|2,0,0]=3 218 B6R0.4 CNCCC(=O)N 1P00J2D0 [1,0,0,0,0,0|2,0,0]=3 219 B6R0.4 CNCCC(=O)O 1P003IPE [1,0,0,0,0,0|1,0,0]=2 220 B6R0.4 CNCCC(=O)O 1P00IBZR [1,0,0,0,0,0|1,0,0]=2 221 B6R0.4 CNCCC(O)C 1P00743C [1,0,0,0,0,0|2,0,1]=4 222 B6R0.4 CNCC[C@@H](O)C 1P0288E3 [1,0,0,0,0,0|2,0,1]=4 223 B6R0.4 CNCC[C@H](O)C 1P0288S7 [1,0,0,0,0,0|2,0,1]=4 224 B6R0.4 COC=CC(=O)O 1P01KAIU [1,0,0,0,0,0|1,0,2]=4 225 B6R0.4 COCCC(=C)C 1P00D2DA [1,0,0,0,0,0|3,0,0]=4 226 B6R0.4 COCCC(=N)N 1P005M9X [1,0,0,0,0,0|3,0,0]=4 227 B6R0.4 COCCC(=N)N 1P00J1TY [1,0,0,0,0,0|3,0,0]=4 228 B6R0.4 COCCC(=O)C 1P005IHL [1,0,0,0,0,0|2,0,0]=3 229 B6R0.4 COCCC(=O)Cl 1P0072PJ [1,0,0,0,0,0|2,0,0]=3 230 B6R0.4 COCCC(=O)N 1P007GOX [1,0,0,0,0,0|2,0,0]=3 231 B6R0.4 COCCC(=O)O 1P003K4N [1,0,0,0,0,0|1,0,0]=2 232 B6R0.4 COCCC(=S)N 1P019V93 [1,0,0,0,0,0|2,1,0]=4 233 B6R0.4 COCCC(O)C 1P00C7RH [1,0,0,0,0,0|2,0,1]=4 234 B6R0.4 COCC[C@@H](O)C 1P01AVJE [1,0,0,0,0,0|2,0,1]=4 235 B6R0.4 COCOC(=O)C 1P00DMRV [1,0,0,0,0,0|3,0,0]=4 236 B6R0.4 CON=CC(=O)O 1P008EGN [1,0,0,0,0,0|2,0,1]=4 237 B6R0.4 CONCC(=O)O 1P028RHG [1,0,0,0,0,0|2,0,0]=3 238 B6R0.4 CO\C=C\C(=O)O 1P01J5LZ [1,0,0,0,0,0|1,0,2]=4 239 B6R0.4 CSCCC(=N)N 1P00J2XD [1,0,0,0,0,0|3,0,0]=4 240 B6R0.4 CSCCC(=O)C 1P003M9K [1,0,0,0,0,0|2,0,0]=3 241 B6R0.4 CSCCC(=O)Cl 1P003IQ2 [1,0,0,0,0,0|2,0,0]=3 242 B6R0.4 CSCCC(=O)N 1P006Y1B [1,0,0,0,0,0|2,0,0]=3 243 B6R0.4 CSCCC(O)C 1P01AV0K [1,0,0,0,0,0|2,0,1]=4 244 B6R0.4 CSCOC(=O)C 1P001VB8 [1,0,0,0,0,0|3,0,0]=4 245 B6R0.4 CSSCC(=O)O 1P01A6D5 [1,0,0,0,0,0|2,0,0]=3 246 B6R0.4 C\C=C\CC(=O)O 1P001WA4 [1,0,0,0,0,0|0,0,1]=2 247 B6R0.4 C\C=N\NC(=O)N 1P003O30 [1,0,0,0,0,0|3,0,0]=4 248 B6R0.4 ClC(=O)OCC=C 1P002YN7 [1,0,0,0,0,0|2,0,1]=4 249 B6R0.4 ClCCCC(=O)C 1P0034PM [1,0,0,0,0,0|1,0,1]=3 250 B6R0.4 ClCCCC(=O)Cl 1P0034GN [1,0,0,0,0,0|2,0,1]=4 251 B6R0.4 ClCCCC(=O)N 1P00C2BS [1,0,0,0,0,0|2,0,1]=4 252 B6R0.4 ClCCCC(=O)O 1P003LNQ [1,0,0,0,0,0|1,0,1]=3 253 B6R0.4 FCCCC(=O)O 1P00DWFR [1,0,0,0,0,0|1,0,1]=3 254 B6R0.4 ICCCC(=O)C 1P01I085 [1,0,0,0,0,0|1,0,1]=3 255 B6R0.4 ICCCC(=O)O 1P003M1J [1,0,0,0,0,0|1,0,1]=3 256 B6R0.4 N#CCCC(=C)C 1P01BB63 [1,0,0,0,0,0|2,0,1]=4 257 B6R0.4 N#CCCC(=O)C 1P006EUQ [1,0,0,0,0,0|1,0,1]=3 258 B6R0.4 N#CCCC(=O)N 1P00ECYT [1,0,0,0,0,0|2,0,1]=4 259 B6R0.4 N#CCCC(=O)O 1P001SGB [1,0,0,0,0,0|1,0,1]=3 260 B6R0.4 NC(=O)NCC=C 1P003O7H [1,0,0,0,0,0|2,0,1]=4 261 B6R0.4 NC(=O)OCC=C 1P00BJVU [1,0,0,0,0,0|2,0,1]=4 262 B6R0.4 NC(=O)OCCO 1P0033TG [1,0,0,0,0,0|2,0,1]=4 263 B6R0.4 NCCCC(=C)C 1P01CAMK [1,0,0,0,0,0|2,0,1]=4 264 B6R0.4 NCCCC(=C)C 1P01EMHE [1,0,0,0,0,0|2,0,1]=4 265 B6R0.4 NCCCC(=O)N 1P000UR1 [1,0,0,0,0,0|2,0,1]=4 266 B6R0.4 NCCCC(=O)O 1P003L7U [1,0,0,0,0,0|1,0,1]=3 267 B6R0.4 NCCCS(=O)C 1P01AH4P [1,0,0,0,0,0|2,0,1]=4 268 B6R0.4 NCCCS(=O)O 1P007O4D [1,0,0,0,0,0|2,0,1]=4 269 B6R0.4 NOCCC(=C)C 1P028VXJ [1,0,0,0,0,0|3,0,0]=4 270 B6R0.4 NOCCC(=O)O 1P0037L4 [1,0,0,0,0,0|2,0,0]=3 271 B6R0.4 O=CCCC(=O)C 1P00F3IL [1,0,0,0,0,0|0,0,0]=1 272 B6R0.4 O=CCCC(=O)O 1P003UX2 [1,0,0,0,0,0|0,0,0]=1 273 B6R0.4 O=CCCC(C)C 1P0038PE [1,0,0,0,0,0|1,0,1]=3 274 B6R0.4 O=CCCC(F)F 1P024SGO [1,0,0,0,0,0|2,0,1]=4 275 B6R0.4 O=CNCC(=O)O 1P002QBB [1,0,0,0,0,0|1,0,0]=2 276 B6R0.4 OC(=O)CC=C=C 1P01HNC6 [1,0,0,0,0,0|0,0,3]=4 277 B6R0.4 OC(=O)C\C=C\Br 1P028E18 [1,0,0,0,0,0|1,0,1]=3 278 B6R0.4 OCCCC(=C)C 1P006Y6M [1,0,0,0,0,0|1,0,1]=3 279 B6R0.4 OCCCC(=C)Cl 1P01DW9I [1,0,0,0,0,0|1,0,2]=4 280 B6R0.4 OCCCC(=C)F 1P01DWBG [1,0,0,0,0,0|1,0,2]=4 281 B6R0.4 OCCCC(=N)N 1P01AD82 [1,0,0,0,0,0|2,0,1]=4 282 B6R0.4 OCCCC(=O)C 1P0034QX [1,0,0,0,0,0|0,0,1]=2 283 B6R0.4 OCCCC(=O)N 1P006EUD [1,0,0,0,0,0|1,0,1]=3 284 B6R0.4 OCCCC(Br)C 1P01KW6P [1,0,0,0,0,0|1,0,2]=4 285 B6R0.4 OCCCC(Cl)C 1P01C1OQ [1,0,0,0,0,0|1,0,2]=4 286 B6R0.4 OCCCC(N)C 1P0061LN [1,0,0,0,0,0|1,0,2]=4 287 B6R0.4 OCCCC(O)C 1P00391M [1,0,0,0,0,0|0,0,3]=4 288 B6R0.4 OCCCC(S)C 1P028LLK [1,0,0,0,0,0|0,1,2]=4 289 B6R0.4 OCCCN(C)C 1P00I6HH [1,0,0,0,0,0|2,0,1]=4 290 B6R0.4 OCCCS(=O)C 1P027JF3 [1,0,0,0,0,0|1,0,1]=3 291 B6R0.4 OCCC[N+](=O)[O-] 1P002R92 [1,0,0,0,0,0|2,0,1]=4 292 B6R0.4 SCCCC(=O)O 1P000VMF [1,0,0,0,0,0|0,1,1]=3 293 B6R0.4 [O-]C(=O)CNCO 1P003725 [1,0,0,0,0,0|2,0,1]=4 294 B8R0.9 C(C)(=O)OCC(O)CO 1P01FWQ5 [0,1,0,0,0,0|1,0,2]=4 295 B8R0.9 C=CC(=O)CCC(C)C 1P028WMT [0,1,0,0,0,0|2,0,1]=4 296 B8R0.9 CC(=CCC(=O)O)C=C 1P01AFO0 [0,1,0,0,0,0|1,0,1]=3 297 B8R0.9 CC(=O)NCC(=O)CN 1P028FJB [0,1,0,0,0,0|2,0,0]=3 298 B8R0.9 CC(=O)NNC(=O)CBr 1P009CXB [0,1,0,0,0,0|3,0,0]=4 299 B8R0.9 CC(=O)NNC(=O)CCl 1P00D6DM [0,1,0,0,0,0|3,0,0]=4 300 B8R0.9 CC(=O)OCC(=O)CCl 1P003ECQ [0,1,0,0,0,0|2,0,0]=3 301 B8R0.9 CC(=O)OCC(CCl)O 1P00BKOC [0,1,0,0,0,0|2,0,1]=4 302 B8R0.9 CC(=O)OCC(CO)N 1P01BDUG [0,1,0,0,0,0|2,0,1]=4 303 B8R0.9 CC(C#N)CCC(=O)O 1P028YKK [0,1,0,0,0,0|1,0,1]=3 304 B8R0.9 CC(CC)CCC(=O)O 1P001OZD [0,1,0,0,0,0|1,0,1]=3 305 B8R0.9 CC(CCC(=NO)N)C 1P019V0J [0,1,0,0,0,0|2,0,1]=4 306 B8R0.9 CC(CN)CCC(=O)O 1P01A3KI [0,1,0,0,0,0|1,0,1]=3 307 B8R0.9 CC(NCC(=O)O)CC 1P019UYV [0,1,0,0,0,0|2,0,1]=4 308 B8R0.9 CC(OC)CCC(=O)O 1P01A6MQ [0,1,0,0,0,0|0,0,2]=3 309 B8R0.9 CC(OCC(=O)O)CC 1P01A2G6 [0,1,0,0,0,0|2,0,1]=4 310 B8R0.9 CC(SC)CCC(=O)O 1P01A4ZX [0,1,0,0,0,0|0,1,1]=3 311 B8R0.9 CCC(=O)CCC(=O)C 1P00AQ9U [0,1,0,0,0,0|1,0,0]=2 312 B8R0.9 CCC(=O)CCC(=O)O 1P007SOU [0,1,0,0,0,0|0,0,0]=1 313 B8R0.9 CCC(=O)NCC(=O)O 1P00C2I8 [0,1,0,0,0,0|1,0,0]=2 314 B8R0.9 CCC(CCC(=O)C)C 1P0023WR [0,1,0,0,0,0|2,0,1]=4 315 B8R0.9 CCC(CCC(=O)Cl)Cl 1P00IKRX [0,1,0,0,0,0|2,0,1]=4 316 B8R0.9 CCC(CCC(=O)O)N 1P00JEB8 [0,1,0,0,0,0|1,0,1]=3 317 B8R0.9 CCS(=O)CCC(=O)O 1P0013NZ [0,1,0,0,0,0|1,0,0]=2 318 B8R0.9 CN(CC)CCC(=O)O 1P00J2A1 [0,1,0,0,0,0|2,0,0]=3 319 B8R0.9 CNC(=O)CCC(=O)O 1P00DCJ1 [0,1,0,0,0,0|0,0,0]=1 320 B8R0.9 CNC(=O)CCC(N)C 1P01AG91 [0,1,0,0,0,0|2,0,1]=4 321 B8R0.9 CNC(=O)CCC(O)C 1P01AC1S [0,1,0,0,0,0|1,0,1]=3 322 B8R0.9 CNC(=O)NCC(=O)O 1P019N6K [0,1,0,0,0,0|1,0,0]=2 323 B8R0.9 CNC(=O)\C=C/C(=O)O 1P003TOL [0,1,0,0,0,0|0,0,2]=3 324 B8R0.9 COC(=O)C=CC(=O)C 1P00BDS4 [0,1,0,0,0,0|0,0,2]=3 325 B8R0.9 COC(=O)CCC(=N)N 1P028HQ9 [0,1,0,0,0,0|2,0,0]=3 326 B8R0.9 COC(=O)CCC(=O)C 1P003SHF [0,1,0,0,0,0|0,0,0]=1 327 B8R0.9 COC(=O)CCC(=O)Cl 1P003SBL [0,1,0,0,0,0|1,0,0]=2 328 B8R0.9 COC(=O)CCC(=O)N 1P0035PS [0,1,0,0,0,0|1,0,0]=2 329 B8R0.9 COC(=O)CCC(=O)O 1P003801 [0,1,0,0,0,0|0,0,0]=1 330 B8R0.9 COC(=O)CCC(=S)N 1P023CNJ [0,1,0,0,0,0|1,1,0]=3 331 B8R0.9 COC(=O)CCC(Br)C 1P028H5K [0,1,0,0,0,0|1,0,1]=3 332 B8R0.9 COC(=O)CCC(Cl)C 1P01A5G3 [0,1,0,0,0,0|1,0,1]=3 333 B8R0.9 COC(=O)CCC(Cl)Cl 1P008L9X [0,1,0,0,0,0|2,0,1]=4 334 B8R0.9 COC(=O)CCC(F)F 1P02236E [0,1,0,0,0,0|2,0,1]=4 335 B8R0.9 COC(=O)CCN(C)C 1P003S6H [0,1,0,0,0,0|2,0,0]=3 336 B8R0.9 COC(=O)CC[C@@H](N)C 1P028IWJ [0,1,0,0,0,0|1,0,1]=3 337 B8R0.9 COC(=O)CC[C@H](N)C 1P028V4N [0,1,0,0,0,0|1,0,1]=3 338 B8R0.9 COC(=O)CNC(=O)C 1P003SHT [0,1,0,0,0,0|1,0,0]=2 339 B8R0.9 COC(=O)CNC(C)C 1P019NPT [0,1,0,0,0,0|2,0,1]=4 340 B8R0.9 COC(=O)COC(C)C 1P00254F [0,1,0,0,0,0|2,0,1]=4 341 B8R0.9 COC(=O)NCC(=O)O 1P003SVE [0,1,0,0,0,0|1,0,0]=2 342 B8R0.9 COC(=O)NCC(N)C 1P028TPG [0,1,0,0,0,0|2,0,1]=4 343 B8R0.9 COC(=O)\C=C/C(=O)O 1P0030VV [0,1,0,0,0,0|0,0,2]=3 344 B8R0.9 COC(=O)\C=C\C(=O)O 1P002UJ4 [0,1,0,0,0,0|0,0,2]=3 345 B8R0.9 COC(COC(=O)C)C 1P00FERJ [0,1,0,0,0,0|2,0,1]=4 346 B8R0.9 C\C(=C/CC(=O)O)\CC 1P00DKVF [0,1,0,0,0,0|1,0,1]=3 347 B8R0.9 ClCC(=O)CCC(C)C 1P00BIFO [0,1,0,0,0,0|2,0,1]=4 348 B8R0.9 NC(=O)CNC(=O)C=C 1P002PWB [0,1,0,0,0,0|2,0,1]=4 349 B8R0.9 NC(C=C)CCC(=O)O 1P001AQX [0,1,0,0,0,0|1,0,2]=4 350 B8R0.9 NC(C=C)CCC(=O)O 1P00FBZQ [0,1,0,0,0,0|1,0,2]=4 351 B8R0.9 NC(CF)CCC(=O)O 1P01BE8X [0,1,0,0,0,0|1,0,1]=3 352 B8R0.9 NCC(=O)CCC(=O)O 1P0036A6 [0,1,0,0,0,0|0,0,0]=1 353 B8R0.9 NCC(=O)CCC(=O)O 1P004JJP [0,1,0,0,0,0|0,0,0]=1 354 B8R0.9 NCC(=O)CCC(=O)O 1P00HB7B [0,1,0,0,0,0|0,0,0]=1 355 B8R0.9 NCC(=O)NCC(=O)O 1P000V5I [0,1,0,0,0,0|1,0,0]=2 356 B8R0.9 NCC(=O)NCC(=O)O 1P003944 [0,1,0,0,0,0|1,0,0]=2 357 B8R0.9 NCC(=O)NCC(=O)O 1P00BCV0 [0,1,0,0,0,0|1,0,0]=2 358 B8R0.9 NCC(CCC(=O)O)N 1P01AI1W [0,1,0,0,0,0|1,0,1]=3 359 B8R0.9 NC[C@@H](CCC(=O)O)N 1P02403U [0,1,0,0,0,0|1,0,1]=3 360 B8R0.9 NC[C@H](CCC(=O)O)N 1P021JBW [0,1,0,0,0,0|1,0,1]=3 361 B8R0.9 NNC(=O)CCC(=O)N 1P000V8I [0,1,0,0,0,0|2,0,0]=3 362 B8R0.9 NNC(=O)CCC(=O)O 1P002FL8 [0,1,0,0,0,0|1,0,0]=2 363 B8R0.9 NNC(=O)CCN(C)C 1P007OJA [0,1,0,0,0,0|3,0,0]=4 364 B8R0.9 N[C@H](C=C)CCC(=O)O 1P00FE8S [0,1,0,0,0,0|1,0,2]=4 365 B8R0.9 N[C@H](CF)CCC(=O)O 1P01BDS0 [0,1,0,0,0,0|1,0,1]=3 366 B8R0.9 OC(=O)CCC(=O)CBr 1P001E0A [0,1,0,0,0,0|0,0,0]=1 367 B8R0.9 OC(=O)CNC(=O)C#C 1P019XV1 [0,1,0,0,0,0|1,0,1]=3 368 B8R0.9 OC(=O)CNC(=O)C=C 1P002P5E [0,1,0,0,0,0|1,0,1]=3 369 B8R0.9 OC(=O)CNC(=O)CCl 1P003TD1 [0,1,0,0,0,0|1,0,0]=2 370 B8R0.9 OCC(=O)OCC(=O)O 1P028H7U [0,1,0,0,0,0|1,0,0]=2 371 B8R0.9 OCP(=O)CCC(=O)O 1P001NED [0,1,0,0,0,0|1,0,0]=2 372 B8R0.9 OC[C@H](CCC(=O)O)N 1P01C6Z9 [0,1,0,0,0,0|1,0,1]=3 373 B8R0.9 ONC(=O)CCC(=O)O 1P00DYWH [0,1,0,0,0,0|1,0,0]=2 374 B8R0.9 ONC(=O)CCC(C)C 1P01AAXS [0,1,0,0,0,0|1,0,1]=3 375 B8R0.9 [O-]C(=O)CCC(CC)O 1P01XCZ8 [0,1,0,0,0,0|0,0,3]=4 376 B8R0.9 [O-]C(=O)CCC(CN)O 1P01FIBT [0,1,0,0,0,0|0,0,3]=4 377 B8R0.9 [O-]C(=O)CCC(CO)C 1P0290FV [0,1,0,0,0,0|0,0,3]=4 378 B8R0.9 [O-]S(=O)CCC(=O)OC 1P0037GH [0,1,0,0,0,0|1,0,1]=3 379 B8R0.9 [O-][N+](=O)CCC(=O)OC 1P00712B [0,1,0,0,0,0|1,0,1]=3 380 B8R0.23 BrC(=C)C[C@@H](C(=O)O)N 1P001NL1 [0,1,0,0,0,0|1,0,1]=3 381 B8R0.23 BrC(=C)C[C@H](C(=O)O)N 1P002TW5 [0,1,0,0,0,0|1,0,1]=3 382 B8R0.23 BrC(C(=O)O)CC(C)C 1P003A9V [0,1,0,0,0,0|1,0,1]=3 383 B8R0.23 Br[C@@H](C(=O)O)CC(C)C 1P01DJ3Z [0,1,0,0,0,0|1,0,1]=3 384 B8R0.23 Br[C@H](C(=O)O)CC(C)C 1P00C23F [0,1,0,0,0,0|1,0,1]=3 385 B8R0.23 CC(=C)CC(C(=O)O)C 1P01A6K2 [0,1,0,0,0,0|1,0,0]=2 386 B8R0.23 CC(=C)CC(C(=O)O)N 1P01BEQC [0,1,0,0,0,0|1,0,0]=2 387 B8R0.23 CC(=C)CC(C(=O)O)N 1P028BSM [0,1,0,0,0,0|1,0,0]=2 388 B8R0.23 CC(=C)C[C@@H](C(=O)O)C 1P01DVEX [0,1,0,0,0,0|1,0,0]=2 389 B8R0.23 CC(=C)C[C@@H](C(=O)O)N 1P004H6G [0,1,0,0,0,0|1,0,0]=2 390 B8R0.23 CC(=C)C[C@H](C(=O)O)N 1P01JNFJ [0,1,0,0,0,0|1,0,0]=2 391 B8R0.23 CC(=O)CC(C(=O)C)O 1P01IKOX [0,1,0,0,0,0|1,0,0]=2 392 B8R0.23 CC(=O)CC(C(=O)O)C 1P003O92 [0,1,0,0,0,0|0,0,0]=1 393 B8R0.23 CC(=O)CC(C(=O)O)N 1P00VVHG [0,1,0,0,0,0|0,0,0]=1 394 B8R0.23 CC(=O)NC(=C)C(=O)O 1P00IA5V [0,1,0,0,0,0|1,0,1]=3 395 B8R0.23 CC(=O)NC(C(=O)O)C 1P00HCMN [0,1,0,0,0,0|1,0,0]=2 396 B8R0.23 CC(=O)NC(C(O)C)C 1P00719U [0,1,0,0,0,0|2,0,1]=4 397 B8R0.23 CC(=O)N[C@@H](C(=O)O)C 1P003T5A [0,1,0,0,0,0|1,0,0]=2 398 B8R0.23 CC(=O)N[C@H](C(=O)O)C 1P003T5O [0,1,0,0,0,0|1,0,0]=2 399 B8R0.23 CC(=O)OC(C(=O)C)C 1P003J9G [0,1,0,0,0,0|2,0,0]=3 400 B8R0.23 CC(=O)OC(C(=O)Cl)C 1P00CI0A [0,1,0,0,0,0|2,0,0]=3 401 B8R0.23 CC(=O)OC(C(=O)O)C 1P00IA0E [0,1,0,0,0,0|1,0,0]=2 402 B8R0.23 CC(=O)O[C@@H](C(=O)Cl)C 1P00IMT7 [0,1,0,0,0,0|2,0,0]=3 403 B8R0.23 CC(=O)O[C@@H](C(=O)O)C 1P00AC23 [0,1,0,0,0,0|1,0,0]=2 404 B8R0.23 CC(=O)O[C@H](C(=O)Cl)C 1P003CU5 [0,1,0,0,0,0|2,0,0]=3 405 B8R0.23 CC(=O)O[C@H](C(=O)O)C 1P003CU4 [0,1,0,0,0,0|1,0,0]=2 406 B8R0.23 CC(C(=O)O)CC(C)C 1P00EBFG [0,1,0,0,0,0|1,0,1]=3 407 B8R0.23 CC(C(=O)O)CC(F)F 1P01B9Z0 [0,1,0,0,0,0|2,0,1]=4 408 B8R0.23 CC(C(=O)O)CC(N)C 1P02914Z [0,1,0,0,0,0|1,0,1]=3 409 B8R0.23 CC(C(=O)O)CN(C)C 1P00J2B5 [0,1,0,0,0,0|2,0,0]=3 410 B8R0.23 CC(C(=O)O)NC(C)C 1P019VK1 [0,1,0,0,0,0|2,0,1]=4 411 B8R0.23 CC(C(=O)O)OC(C)C 1P005FR1 [0,1,0,0,0,0|2,0,1]=4 412 B8R0.23 CC(C(=O)O)SC(C)C 1P019NSY [0,1,0,0,0,0|2,0,1]=4 413 B8R0.23 CC(C(C)C)CC(=O)O 1P00C0MG [0,1,0,0,0,0|1,0,1]=3 414 B8R0.23 CC(C(F)F)CC(=O)C 1P0286NX [0,1,0,0,0,0|2,0,1]=4 415 B8R0.23 CC(C(F)F)CC(=O)O 1P01DZF1 [0,1,0,0,0,0|2,0,1]=4 416 B8R0.23 CC(CC(=C)C(=O)O)C 1P002QQ0 [0,1,0,0,0,0|1,0,2]=4 417 B8R0.23 CC(CC(=O)C(=O)O)C 1P003M6Z [0,1,0,0,0,0|1,0,2]=4 418 B8R0.23 CC(CC(C(=O)C)C)C 1P01E7KG [0,1,0,0,0,0|2,0,1]=4 419 B8R0.23 CC(N(C)C)CC(=O)O 1P00GNQF [0,1,0,0,0,0|2,0,0]=3 420 B8R0.23 CC(N(CC(=O)O)C)C 1P008VQP [0,1,0,0,0,0|2,0,1]=4 421 B8R0.23 CC(N(CC(=O)O)C)C 1P019X3X [0,1,0,0,0,0|2,0,1]=4 422 B8R0.23 CN(C(=O)CC(=O)O)C 1P019SXG [0,1,0,0,0,0|2,0,1]=4 423 B8R0.23 CN(CC(=C)C(=O)O)C 1P00DDT5 [0,1,0,0,0,0|2,0,1]=4 424 B8R0.23 CS(=O)CC(C(=O)O)C 1P01BF3I [0,1,0,0,0,0|1,0,0]=2 425 B8R0.23 CS(=O)C[C@@H](C(=O)O)N 1P00FABU [0,1,0,0,0,0|1,0,0]=2 426 B8R0.23 C[C@@H](N(C)C)CC(=O)O 1P0284HT [0,1,0,0,0,0|2,0,0]=3 427 B8R0.23 C[C@H](N(C)C)CC(=O)O 1P027W5B [0,1,0,0,0,0|2,0,0]=3 428 B8R0.23 C[S@](=O)C[C@@H](C(=O)O)N 1P00CNZI [0,1,0,0,0,0|1,0,0]=2 429 B8R0.23 ClC(=C)CC(C(=O)O)N 1P01BYCS [0,1,0,0,0,0|1,0,1]=3 430 B8R0.23 ClC(=C)C[C@@H](C(=O)O)N 1P01C11V [0,1,0,0,0,0|1,0,1]=3 431 B8R0.23 ClC(=C)C[C@H](C(=O)O)N 1P01BRKB [0,1,0,0,0,0|1,0,1]=3 432 B8R0.23 Cl[C@H](C(=O)O)CC(C)C 1P002WHA [0,1,0,0,0,0|1,0,1]=3 433 B8R0.23 FC(C(=O)O)CC(C)C 1P01DWZS [0,1,0,0,0,0|1,0,1]=3 434 B8R0.23 NC(=O)CC(C(=O)O)C 1P01B9DC [0,1,0,0,0,0|1,0,0]=2 435 B8R0.23 NC(=O)CC(C(=O)O)N 1P003Q9E [0,1,0,0,0,0|1,0,0]=2 436 B8R0.23 NC(=O)C[C@@H](C(=O)N)N 1P001XVO [0,1,0,0,0,0|2,0,0]=3 437 B8R0.23 NC(=O)C[C@@H](C(=O)O)N 1P0035JS [0,1,0,0,0,0|1,0,0]=2 438 B8R0.23 NC(=O)C[C@@H](C(=O)O)N 1P00IARL [0,1,0,0,0,0|1,0,0]=2 439 B8R0.23 NC(=O)C[C@@H](C(=O)O)O 1P01I6GV [0,1,0,0,0,0|1,0,0]=2 440 B8R0.23 NC(=O)C[C@@H](C(=O)O)[15NH2] 1P00CG1O [0,1,0,0,0,0|1,0,0]=2 441 B8R0.23 NC(=O)C[C@H](C(=O)O)N 1P002AUA [0,1,0,0,0,0|1,0,0]=2 442 B8R0.23 NC(=O)C[C@H](C(=O)O)N 1P003RAT [0,1,0,0,0,0|1,0,0]=2 443 B8R0.23 NC(=O)C[C@H](C(=O)O)O 1P028HNM [0,1,0,0,0,0|1,0,0]=2 444 B8R0.23 NC(=O)NC(C(=O)O)C 1P00G40I [0,1,0,0,0,0|2,0,0]=3 445 B8R0.23 NC(=O)N[C@H](C(=O)O)C 1P00I1WN [0,1,0,0,0,0|2,0,0]=3 446 B8R0.23 NC(C(=O)N)CC(C)C 1P000VF5 [0,1,0,0,0,0|2,0,1]=4 447 B8R0.23 NC(C(=O)N)CC(C)C 1P007HDG [0,1,0,0,0,0|2,0,1]=4 448 B8R0.23 NC(C(=O)O)CC(C)C 1P003QAO [0,1,0,0,0,0|1,0,1]=3 449 B8R0.23 NC(C(=O)O)CC(F)F 1P01AA1M [0,1,0,0,0,0|2,0,1]=4 450 B8R0.23 NC(C(=O)O)CC(F)F 1P01AA1V [0,1,0,0,0,0|2,0,1]=4 451 B8R0.23 NC(C(C)C)CC(=O)O 1P00382D [0,1,0,0,0,0|1,0,1]=3 452 B8R0.23 NC(C(C)C)CC(=O)O 1P00IWGX [0,1,0,0,0,0|1,0,1]=3 453 B8R0.23 N[C@@H](C(=O)N)CC(C)C 1P001RHC [0,1,0,0,0,0|2,0,1]=4 454 B8R0.23 N[C@@H](C(=O)N)CC(C)C 1P00G3EY [0,1,0,0,0,0|2,0,1]=4 455 B8R0.23 N[C@@H](C(=O)O)CC(C)C 1P007J6D [0,1,0,0,0,0|1,0,1]=3 456 B8R0.23 N[C@@H](C(=O)O)CC(F)F 1P01HEGY [0,1,0,0,0,0|2,0,1]=4 457 B8R0.23 N[C@@H](C(C)C)CC(=O)O 1P006Z1W [0,1,0,0,0,0|1,0,1]=3 458 B8R0.23 N[C@@H](C(C)C)CC(=O)O 1P00G3E9 [0,1,0,0,0,0|1,0,1]=3 459 B8R0.23 N[C@H](C(=O)N)CC(C)C 1P003RT5 [0,1,0,0,0,0|2,0,1]=4 460 B8R0.23 N[C@H](C(=O)N)CC(C)C 1P006HSO [0,1,0,0,0,0|2,0,1]=4 461 B8R0.23 N[C@H](C(=O)O)CC(C)C 1P00F3FK [0,1,0,0,0,0|1,0,1]=3 462 B8R0.23 N[C@H](C(=O)O)CC(F)F 1P0201VO [0,1,0,0,0,0|2,0,1]=4 463 B8R0.23 N[C@H](C(=O)O)CN(C)C 1P0004TN [0,1,0,0,0,0|2,0,0]=3 464 B8R0.23 N[C@H](C(=O)O)CN(C)C 1P00C92A [0,1,0,0,0,0|2,0,0]=3 465 B8R0.23 N[C@H](C(C)C)CC(=O)O 1P00C07B [0,1,0,0,0,0|1,0,1]=3 466 B8R0.23 N[C@H](C(C)C)CC(=O)O 1P00C7Q3 [0,1,0,0,0,0|1,0,1]=3 467 B8R0.23 OB(CC(C(=O)O)N)O 1P028MUE [0,1,0,0,0,0|2,0,1]=4 468 B8R0.23 OC(=O)CC(=C(C)C)C 1P00B50T [0,1,0,0,0,0|1,0,1]=3 469 B8R0.23 OC(=O)CC(=C)C(=O)O 1P003RML [0,1,0,0,0,0|1,0,1]=3 470 B8R0.23 OC(=O)CC(=O)C(=O)O 1P003TZ6 [0,1,0,0,0,0|1,0,1]=3 471 B8R0.23 OC(=O)CC(C(=O)C)C 1P003ON2 [0,1,0,0,0,0|0,0,0]=1 472 B8R0.23 OC(=O)CC(C(=O)N)C 1P01A53J [0,1,0,0,0,0|1,0,0]=2 473 B8R0.23 OC(=O)CC(C(=O)O)Br 1P003P1G [0,1,0,0,0,0|1,0,0]=2 474 B8R0.23 OC(=O)CC(C(=O)O)C 1P0032QP [0,1,0,0,0,0|1,0,0]=2 475 B8R0.23 OC(=O)CC(C(=O)O)N 1P00IBDD [0,1,0,0,0,0|1,0,0]=2 476 B8R0.23 OC(=O)CC(C(=O)O)O 1P003A2K [0,1,0,0,0,0|1,0,0]=2 477 B8R0.23 OC(=O)CC(C(=O)O)O 1P00DCO2 [0,1,0,0,0,0|1,0,0]=2 478 B8R0.23 OC(=O)CC(C(=O)O)O 1P01DQIV [0,1,0,0,0,0|1,0,0]=2 479 B8R0.23 OC(=O)CC(C(=O)O)S 1P003RXN [0,1,0,0,0,0|1,0,0]=2 480 B8R0.23 OC(=O)CN(C(=N)N)C 1P00AP5R [0,1,0,0,0,0|3,0,0]=4 481 B8R0.23 OC(=O)CN(C(=N)N)C 1P00DEB3 [0,1,0,0,0,0|3,0,0]=4 482 B8R0.23 OC(=O)CN(C(=N)N)C 1P00IAMR [0,1,0,0,0,0|3,0,0]=4 483 B8R0.23 OC(=O)CN(C(=N)N)C 1P00IB4K [0,1,0,0,0,0|3,0,0]=4 484 B8R0.23 OC(=O)CN(C(=O)C)C 1P00EJQ7 [0,1,0,0,0,0|1,0,0]=2 485 B8R0.23 OC(=O)CN(C(=O)F)C 1P028BT9 [0,1,0,0,0,0|2,0,0]=3 486 B8R0.23 OC(=O)CN(C(=O)N)C 1P003111 [0,1,0,0,0,0|2,0,0]=3 487 B8R0.23 OC(=O)C[C@@H](C(=C)C)O 1P01AG8W [0,1,0,0,0,0|1,0,0]=2 488 B8R0.23 OC(=O)C[C@@H](C(=O)N)N 1P00C1KL [0,1,0,0,0,0|1,0,0]=2 489 B8R0.23 OC(=O)C[C@@H](C(=O)O)Br 1P002K98 [0,1,0,0,0,0|1,0,0]=2 490 B8R0.23 OC(=O)C[C@@H](C(=O)O)C 1P003CUV [0,1,0,0,0,0|1,0,0]=2 491 B8R0.23 OC(=O)C[C@@H](C(=O)O)F 1P01FM1V [0,1,0,0,0,0|1,0,0]=2 492 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P002J5V [0,1,0,0,0,0|1,0,0]=2 493 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P0035JU [0,1,0,0,0,0|1,0,0]=2 494 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P00BCQS [0,1,0,0,0,0|1,0,0]=2 495 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P00BGEE [0,1,0,0,0,0|1,0,0]=2 496 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P00I7X8 [0,1,0,0,0,0|1,0,0]=2 497 B8R0.23 OC(=O)C[C@@H](C(=O)O)O 1P003RN5 [0,1,0,0,0,0|1,0,0]=2 498 B8R0.23 OC(=O)C[C@@H](C(=O)O)[15NH2] 1P003ROV [0,1,0,0,0,0|1,0,0]=2 499 B8R0.23 OC(=O)C[C@@H](C(=O)[O-])N 1P0035YQ [0,1,0,0,0,0|1,0,0]=2 500 B8R0.23 OC(=O)C[C@@H](C(=O)[O-])N 1P003ROU [0,1,0,0,0,0|1,0,0]=2 501 B8R0.23 OC(=O)C[C@H](C(=O)N)N 1P002D2Z [0,1,0,0,0,0|1,0,0]=2 502 B8R0.23 OC(=O)C[C@H](C(=O)O)C 1P003CMN [0,1,0,0,0,0|1,0,0]=2 503 B8R0.23 OC(=O)C[C@H](C(=O)O)N 1P0026EB [0,1,0,0,0,0|1,0,0]=2 504 B8R0.23 OC(=O)C[C@H](C(=O)O)O 1P0032W0 [0,1,0,0,0,0|1,0,0]=2 505 B8R0.23 OC(=O)C[C@H]([C@H](O)C)N 1P002G1K [0,1,0,0,0,0|0,0,2]=3 506 B8R0.23 OC(=O)C[C@H]([C@H](O)C)N 1P00C8FV [0,1,0,0,0,0|0,0,2]=3 507 B8R0.23 OC(=O)\C=C(/C(=O)O)\C 1P003I6D [0,1,0,0,0,0|1,0,2]=4 508 B8R0.23 OC(=O)\C=C(/C(=O)O)\C 1P01JGLL [0,1,0,0,0,0|1,0,2]=4 509 B8R0.23 OC(=O)\C=C(\C(=O)O)/C 1P003RXR [0,1,0,0,0,0|1,0,2]=4 510 B8R0.23 OC(=O)\C=C(\C(=O)O)/I 1P01P3QB [0,1,0,0,0,0|1,0,2]=4 511 B8R0.23 OC(C(=O)O)CC(C)C 1P003HV8 [0,1,0,0,0,0|1,0,1]=3 512 B8R0.23 OC(C(=O)O)CC(F)F 1P028WXF [0,1,0,0,0,0|2,0,1]=4 513 B8R0.23 OC(C(=O)O)CN(C)C 1P009R7U [0,1,0,0,0,0|2,0,0]=3 514 B8R0.23 OS(=O)C[C@@H](C(=O)O)N 1P002JBY [0,1,0,0,0,0|2,0,0]=3 515 B8R0.23 OS(=O)C[C@@H](C(=O)O)N 1P008S00 [0,1,0,0,0,0|2,0,0]=3 516 B8R0.23 O[C@@H](C(=O)O)CC(C)C 1P00295B [0,1,0,0,0,0|1,0,1]=3 517 B8R0.23 O[C@@H](C(C)C)CC(=O)O 1P005E7Z [0,1,0,0,0,0|1,0,1]=3 518 B8R0.23 O[C@H](C(=O)O)CC(C)C 1P0013SV [0,1,0,0,0,0|1,0,1]=3 519 B8R0.23 O[C@H](C(=O)O)CN(C)C 1P00A9SV [0,1,0,0,0,0|2,0,0]=3 520 B8R0.23 O[C@H](C(C)C)CC(=O)O 1P01AG46 [0,1,0,0,0,0|1,0,1]=3 521 B8R0.23 [15NH2][C@H](C(=O)O)CC(C)C 1P00EE4Y [0,1,0,0,0,0|1,0,1]=3 522 B8R0.23 [O-]C(=O)CC(C(=O)N)O 1P01A689 [0,1,0,0,0,0|1,0,1]=3 523 B8R0.23 [O-]C(=O)CC(C(=O)O)N 1P006L6H [0,1,0,0,0,0|1,0,0]=2 524 B8R0.23 [O-]C(=O)CC(C(=O)[O-])N 1P0071D7 [0,1,0,0,0,0|1,0,1]=3 525 B8R0.23 [O-]C(=O)CC(C(=O)[O-])O 1P003P1V [0,1,0,0,0,0|1,0,1]=3 526 B8R0.23 [O-]C(=O)CC(C(=O)[O-])O 1P003URJ [0,1,0,0,0,0|1,0,1]=3 527 B8R0.23 [O-]C(=O)CC(C(=O)[O-])O 1P02029H [0,1,0,0,0,0|1,0,1]=3 528 B8R0.23 [O-]C(=O)CC(C(=O)[O-])[S-] 1P0017PO [0,1,0,0,0,0|1,0,1]=3 529 B8R0.23 [O-]C(=O)C[C@@H](C(=O)[O-])N 1P0085PR [0,1,0,0,0,0|1,0,1]=3 530 B8R0.29 CC(=O)CCC(C)(C)C 1P007L85 [0,1,0,0,0,0|2,0,1]=4 531 B8R0.29 CC(=O)CCC(F)(F)F 1P00HTOT [0,1,0,0,0,0|2,0,1]=4 532 B8R0.29 CC(=O)CCC(O)(C)C 1P00743F [0,1,0,0,0,0|1,0,1]=3 533 B8R0.29 CC(=O)CCP(=O)(C)C 1P028OE3 [0,1,0,0,0,0|2,0,0]=3 534 B8R0.29 CC(=O)CCS(=O)(=O)C 1P006EOH [0,1,0,0,0,0|1,0,1]=3 535 B8R0.29 CC(=O)CCS(=O)(=O)F 1P028DJ7 [0,1,0,0,0,0|1,0,1]=3 536 B8R0.29 CC(=O)CC[B-](F)(F)F 1P02854O [0,1,0,0,0,0|3,0,0]=4 537 B8R0.29 CC(=O)CNS(=O)(=O)C 1P0222TR [0,1,0,0,0,0|2,0,1]=4 538 B8R0.29 CC(=O)COS(=O)(=O)C 1P002NU5 [0,1,0,0,0,0|2,0,1]=4 539 B8R0.29 CC(=O)NCC(O)(C)C 1P01BBLR [0,1,0,0,0,0|2,0,1]=4 540 B8R0.29 CN(CCS(=O)(=O)O)C 1P00EM6R [0,1,0,0,0,0|3,0,0]=4 541 B8R0.29 ClC(=O)CCS(=O)(=O)F 1P0292CO [0,1,0,0,0,0|2,0,1]=4 542 B8R0.29 NC(=O)COP(=O)(O)[O-] 1P01FIR7 [0,1,0,0,0,0|3,0,0]=4 543 B8R0.29 NC(=S)CCP(=O)(C)C 1P028HE3 [0,1,0,0,0,0|2,1,0]=4 544 B8R0.29 OC(=O)C=CS(=O)(=O)C 1P01A5NL [0,1,0,0,0,0|1,0,2]=4 545 B8R0.29 OC(=O)CCC(Br)(F)F 1P001FA2 [0,1,0,0,0,0|2,0,1]=4 546 B8R0.29 OC(=O)CCC(C)(C)C 1P008SUK [0,1,0,0,0,0|1,0,1]=3 547 B8R0.29 OC(=O)CCC(Cl)(Cl)Cl 1P002NQT [0,1,0,0,0,0|2,0,1]=4 548 B8R0.29 OC(=O)CCC(F)(C)C 1P028N2G [0,1,0,0,0,0|1,0,1]=3 549 B8R0.29 OC(=O)CCC(F)(F)C 1P019NK4 [0,1,0,0,0,0|1,0,1]=3 550 B8R0.29 OC(=O)CCC(F)(F)F 1P003KTI [0,1,0,0,0,0|2,0,1]=4 551 B8R0.29 OC(=O)CCC(N)(C)C 1P00J22H [0,1,0,0,0,0|1,0,1]=3 552 B8R0.29 OC(=O)CCC(S)(C)C 1P009D4O [0,1,0,0,0,0|0,1,1]=3 553 B8R0.29 OC(=O)CCP(=O)(C)C 1P028OK0 [0,1,0,0,0,0|1,0,0]=2 554 B8R0.29 OC(=O)CCP(=O)(O)O 1P003KCP [0,1,0,0,0,0|2,0,0]=3 555 B8R0.29 OC(=O)CCS(=O)(=O)C 1P006TUH [0,1,0,0,0,0|1,0,0]=2 556 B8R0.29 OC(=O)CCS(=O)(=O)F 1P027W4B [0,1,0,0,0,0|2,0,0]=3 557 B8R0.29 OC(=O)CCS(=O)(=O)N 1P007GOU [0,1,0,0,0,0|2,0,0]=3 558 B8R0.29 OC(=O)CCS(=O)(=O)O 1P0038B6 [0,1,0,0,0,0|2,0,0]=3 559 B8R0.29 OC(=O)CCS(=O)(=O)[O-] 1P01C37Z [0,1,0,0,0,0|2,0,0]=3 560 B8R0.29 OC(=O)CC[N+](C)(C)C 1P007RMM [0,1,0,0,0,0|2,0,0]=3 561 B8R0.29 OC(=O)CC[Si](C)(C)C 1P00EB1H [0,1,0,0,0,0|1,1,0]=3 562 B8R0.29 OC(=O)CN=S(=O)(C)C 1P00IWDT [0,1,0,0,0,0|2,0,0]=3 563 B8R0.29 OC(=O)CNC(C)(C)C 1P003TTH [0,1,0,0,0,0|2,0,1]=4 564 B8R0.29 OC(=O)CNC(C)(C)C 1P00E9LM [0,1,0,0,0,0|2,0,1]=4 565 B8R0.29 OC(=O)CNS(=O)(=O)C 1P003SVF [0,1,0,0,0,0|2,0,0]=3 566 B8R0.29 OC(=O)CNS(=O)(=O)N 1P01C0S4 [0,1,0,0,0,0|3,0,0]=4 567 B8R0.29 OC(=O)COC(C)(C)C 1P0010OW [0,1,0,0,0,0|2,0,1]=4 568 B8R0.29 OC(=O)COP(=O)(C)C 1P028VD5 [0,1,0,0,0,0|2,0,0]=3 569 B8R0.29 OC(=O)COS(=O)(=O)C 1P01B2C1 [0,1,0,0,0,0|2,0,0]=3 570 B8R0.29 OC(=O)CSC(C)(C)C 1P00BFTV [0,1,0,0,0,0|2,0,1]=4 571 B8R0.29 OC(=O)CSS(=O)(=O)C 1P00135M [0,1,0,0,0,0|2,0,0]=3 572 B8R0.29 [O-]C(=O)CCC(O)(C)C 1P01ADH8 [0,1,0,0,0,0|0,0,3]=4 573 B8R0.29 [O-]C(=O)CC[Si](O)(O)[O-] 1P00ACWG [0,1,0,0,0,0|1,1,1]=4 574 B8R0.29 [O-]C(=O)CNS(=O)(=O)C 1P019M31 [0,1,0,0,0,0|2,0,1]=4 575 B8R1.3 BrC1CCC(=O)CC1 1P00C4LN [0,0,0,1,0,0|2,0,1]=4 576 B8R1.3 CC1=CCC(=O)CC1 1P00DEB0 [0,0,0,1,0,0|2,0,0]=3 577 B8R1.3 CC1=NNC(=O)CC1 1P00DE87 [0,0,0,1,0,0|2,0,0]=3 578 B8R1.3 CC1CCC(=O)C=C1 1P00ILT7 [0,0,0,1,0,0|2,0,1]=4 579 B8R1.3 CC1CCC(=O)CC1 1P0037LL [0,0,0,1,0,0|2,0,1]=4 580 B8R1.3 CC1CCC(=O)CN1 1P01EK9J [0,0,0,1,0,0|2,0,1]=4 581 B8R1.3 CC1CCC(=O)NC1 1P0039A4 [0,0,0,1,0,0|2,0,1]=4 582 B8R1.3 CC1CCC(=O)OC1 1P01HF4J [0,0,0,1,0,0|1,0,1]=3 583 B8R1.3 CN1CCC(=O)CC1 1P001K3X [0,0,0,1,0,0|3,0,0]=4 584 B8R1.3 CN1CCC(=O)CC1 1P00BZQM [0,0,0,1,0,0|3,0,0]=4 585 B8R1.3 C[C@@H]1CCC(=O)CN1 1P01JV25 [0,0,0,1,0,0|2,0,1]=4 586 B8R1.3 C[C@H]1CCC(=O)CN1 1P01JVFW [0,0,0,1,0,0|2,0,1]=4 587 B8R1.3 FC1CCC(=O)CC1 1P006DJR [0,0,0,1,0,0|2,0,1]=4 588 B8R1.3 FC1CCC(=O)NC1 1P01JVLP [0,0,0,1,0,0|2,0,1]=4 589 B8R1.3 NC1CCC(=O)CC1 1P0034DA [0,0,0,1,0,0|2,0,1]=4 590 B8R1.3 NC1CCC(=O)NC1 1P000L8V [0,0,0,1,0,0|2,0,1]=4 591 B8R1.3 NC1CCC(=O)NC1 1P00AQJK [0,0,0,1,0,0|2,0,1]=4 592 B8R1.3 NC1CCC(=O)NC1 1P024TPY [0,0,0,1,0,0|2,0,1]=4 593 B8R1.3 N[C@@H]1CCC(=O)NC1 1P0001ZD [0,0,0,1,0,0|2,0,1]=4 594 B8R1.3 N[C@@H]1CCC(=O)NC1 1P027V4Z [0,0,0,1,0,0|2,0,1]=4 595 B8R1.3 N[C@@H]1CNC(=O)OC1 1P0283RU [0,0,0,1,0,0|2,0,1]=4 596 B8R1.3 N[C@H]1CCC(=O)NC1 1P00FBRS [0,0,0,1,0,0|2,0,1]=4 597 B8R1.3 N[C@H]1CCC(=O)NC1 1P01JUG8 [0,0,0,1,0,0|2,0,1]=4 598 B8R1.3 O=C1CCC(=O)CC1 1P003334 [0,0,0,1,0,0|1,0,0]=2 599 B8R1.3 O=C1CCC(=O)CN1 1P00D99E [0,0,0,1,0,0|1,0,0]=2 600 B8R1.3 O=C1CCC(OC1)C 1P00DUSV [0,0,0,1,0,0|1,0,1]=3 601 B8R1.3 O=C1CCC(SC1)C 1P00DV16 [0,0,0,1,0,0|1,1,1]=4 602 B8R1.3 O=C1CCS(=O)CC1 1P001ZSR [0,0,0,1,0,0|2,0,0]=3 603 B8R1.3 O=C1COC(CN1)C 1P000Y2L [0,0,0,1,0,0|2,0,1]=4 604 B8R1.3 O=C1CO[C@@H](CN1)C 1P01B5ZE [0,0,0,1,0,0|2,0,1]=4 605 B8R1.3 O=C1CO[C@H](CN1)C 1P01B5ZD [0,0,0,1,0,0|2,0,1]=4 606 B8R1.3 O=C1NCC(=O)NC1 1P003R90 [0,0,0,1,0,0|2,0,0]=3 607 B8R1.3 O=C1OCC(=O)OC1 1P003E5M [0,0,0,1,0,0|1,0,0]=2 608 B8R1.3 OC1CCC(=O)CC1 1P0034IX [0,0,0,1,0,0|1,0,1]=3 609 B8R1.3 OC1CCC(=O)NC1 1P00APM1 [0,0,0,1,0,0|1,0,2]=4 610 B8R1.3 OC1CCS(=O)CC1 1P01A5NJ [0,0,0,1,0,0|2,0,1]=4 611 B8R1.3 O[C@@H]1CCC(=O)NC1 1P0008T2 [0,0,0,1,0,0|1,0,2]=4 612 B8R1.3 O[C@H]1CCC(=O)NC1 1P0039IH [0,0,0,1,0,0|1,0,2]=4 613 B8R1.20 CC1CC1CC(=O)O 1P01BBI8 [0,0,0,1,0,0|1,0,1]=3 614 B8R1.20 OC(=O)CC1CC1Br 1P02929L [0,0,0,1,0,0|1,0,1]=3 615 B8R1.20 OC(=O)C[C@@H]1C[C@@H]1F 1P0293PG [0,0,0,1,0,0|1,0,1]=3 616 B8R1.20 OC(=O)C[C@@H]1C[C@H]1F 1P027VHQ [0,0,0,1,0,0|1,0,1]=3 617 B8R1.23 BrC1CC(C1)C(=O)O 1P01EBTW [0,0,0,1,0,0|1,0,1]=3 618 B8R1.23 Br[C@@H]1C[C@@H](C1)C(=O)O 1P0209B2 [0,0,0,1,0,0|1,0,1]=3 619 B8R1.23 Br[C@@H]1C[C@H](C1)C(=O)O 1P01EBTD [0,0,0,1,0,0|1,0,1]=3 620 B8R1.23 CC(C1CC(=C)C1)O 1P028RKK [0,0,0,1,0,0|2,0,1]=4 621 B8R1.23 CC(C1CC(=O)C1)C 1P019ZKQ [0,0,0,1,0,0|2,0,1]=4 622 B8R1.23 CC(C1CC(=O)N1)C 1P00GFT6 [0,0,0,1,0,0|2,0,1]=4 623 B8R1.23 CC1CC(C1)C(=O)C 1P00CIPH [0,0,0,1,0,0|2,0,1]=4 624 B8R1.23 CC1CC(C1)C(=O)O 1P00380T [0,0,0,1,0,0|1,0,1]=3 625 B8R1.23 CC1CC(N1)C(=O)O 1P01DZCF [0,0,0,1,0,0|1,0,1]=3 626 B8R1.23 CN1CC(C1)C(=O)N 1P028Y6A [0,0,0,1,0,0|3,0,0]=4 627 B8R1.23 CN1CC(C1)C(=O)O 1P004S1X [0,0,0,1,0,0|2,0,0]=3 628 B8R1.23 C[C@@H]1C[C@@H](C1)C(=O)O 1P00H3P5 [0,0,0,1,0,0|1,0,1]=3 629 B8R1.23 C[C@@H]1C[C@@H](N1)C(=O)O 1P02074D [0,0,0,1,0,0|1,0,1]=3 630 B8R1.23 C[C@@H]1C[C@H](C1)C(=O)O 1P00IF9M [0,0,0,1,0,0|1,0,1]=3 631 B8R1.23 C[C@H]1C[C@@H](N1)C(=O)O 1P02074N [0,0,0,1,0,0|1,0,1]=3 632 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O 1P00PLYX [0,0,0,1,0,0|1,0,1]=3 633 B8R1.23 ClC1CC(C1)C(=O)Cl 1P0030TN [0,0,0,1,0,0|2,0,1]=4 634 B8R1.23 ClC1CC(C1)C(=O)O 1P007FK6 [0,0,0,1,0,0|1,0,1]=3 635 B8R1.23 Cl[C@@H]1C[C@H](C1)C(=O)O 1P00I7FY [0,0,0,1,0,0|1,0,1]=3 636 B8R1.23 FC(C1CC(=O)C1)F 1P00ILPR [0,0,0,1,0,0|2,0,1]=4 637 B8R1.23 FC1CC(C1)C(=O)O 1P009B1H [0,0,0,1,0,0|1,0,1]=3 638 B8R1.23 F[C@@H]1C[C@@H](C1)C(=O)O 1P000LL1 [0,0,0,1,0,0|1,0,1]=3 639 B8R1.23 F[C@@H]1C[C@H](C1)C(=O)O 1P000LL0 [0,0,0,1,0,0|1,0,1]=3 640 B8R1.23 IC1CC(C1)C(=O)O 1P0285A2 [0,0,0,1,0,0|1,0,1]=3 641 B8R1.23 NC(=S)C1CC(=C)C1 1P023S07 [0,0,0,1,0,0|2,1,0]=4 642 B8R1.23 NC1CC(C1)C(=O)C 1P027ZSS [0,0,0,1,0,0|2,0,1]=4 643 B8R1.23 NC1CC(C1)C(=O)N 1P01B2AN [0,0,0,1,0,0|2,0,1]=4 644 B8R1.23 NC1CC(C1)C(=O)O 1P000QSP [0,0,0,1,0,0|1,0,1]=3 645 B8R1.23 N[C@@H]1C[C@@H](C1)C(=O)N 1P01C5XI [0,0,0,1,0,0|2,0,1]=4 646 B8R1.23 N[C@@H]1C[C@@H](C1)C(=O)O 1P003A1D [0,0,0,1,0,0|1,0,1]=3 647 B8R1.23 N[C@@H]1C[C@@H](C1)C(=O)O 1P005YM8 [0,0,0,1,0,0|1,0,1]=3 648 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)N 1P01BV5X [0,0,0,1,0,0|2,0,1]=4 649 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O 1P005YMF [0,0,0,1,0,0|1,0,1]=3 650 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O 1P008H8O [0,0,0,1,0,0|1,0,1]=3 651 B8R1.23 O=C1CC(C1)C(=O)N 1P0291I1 [0,0,0,1,0,0|1,0,0]=2 652 B8R1.23 O=C1CC(C1)C(=O)O 1P00348L [0,0,0,1,0,0|0,0,0]=1 653 B8R1.23 O=C1CC(N1)C(=O)O 1P00H73C [0,0,0,1,0,0|1,0,0]=2 654 B8R1.23 O=C1CN(C1)C(=O)C 1P00ARA6 [0,0,0,1,0,0|2,0,0]=3 655 B8R1.23 O=C1CN(C1)C(=O)Cl 1P028VLT [0,0,0,1,0,0|2,0,0]=3 656 B8R1.23 O=C1C[C@@H](N1)C(=O)O 1P00IBK7 [0,0,0,1,0,0|1,0,0]=2 657 B8R1.23 O=C1C[C@H](N1)C(=O)O 1P001V2H [0,0,0,1,0,0|1,0,0]=2 658 B8R1.23 O=S1CC(C1)C(=O)O 1P027R6C [0,0,0,1,0,0|1,0,0]=2 659 B8R1.23 OC(=O)C1CC(=C)C1 1P001Q08 [0,0,0,1,0,0|1,0,0]=2 660 B8R1.23 OC1CC(C1)C(=O)C 1P00ILOP [0,0,0,1,0,0|1,0,1]=3 661 B8R1.23 OC1CC(C1)C(=O)N 1P028W4O [0,0,0,1,0,0|1,0,2]=4 662 B8R1.23 OC1CC(C1)C(=O)O 1P0074YT [0,0,0,1,0,0|0,0,2]=3 663 B8R1.23 OC1CN(C1)C(=O)C 1P003ED6 [0,0,0,1,0,0|2,0,1]=4 664 B8R1.23 O[C@@H]1C[C@@H](C1)C(=O)O 1P00DGWW [0,0,0,1,0,0|0,0,2]=3 665 B8R1.23 O[C@@H]1C[C@H](C1)C(=O)O 1P000TTS [0,0,0,1,0,0|0,0,2]=3 666 B8R1.23 O[C@@H]1C[C@H](C1)C(=O)[O-] 1P028X6S [0,0,0,1,0,0|0,0,3]=4 667 B8R1.23 SC1CC(C1)C(=O)O 1P028CJZ [0,0,0,1,0,0|0,1,1]=3 668 B8R1.23 S[C@@H]1C[C@H](C1)C(=O)O 1P0284TI [0,0,0,1,0,0|0,1,1]=3 669 B8R1.35 CC(=O)CCC1CC1 1P01AD57 [0,0,0,1,0,0|2,0,1]=4 670 B8R1.35 CC(=O)OCC1CO1 1P00KE2H [0,0,0,1,0,0|2,0,1]=4 671 B8R1.35 NC(=O)CCC1CC1 1P004VRG [0,0,0,1,0,0|2,0,1]=4 672 B8R1.35 OC(=O)CCC1CC1 1P00IAHR [0,0,0,1,0,0|1,0,1]=3 673 B8R1.35 OC(=O)CCC1N=N1 1P028H2Z [0,0,0,1,0,0|2,0,1]=4 674 B8R1.35 OC(=O)CNC1CC1 1P007JIG [0,0,0,1,0,0|2,0,1]=4 675 B8R1.35 OC(=O)CNC1CC1 1P019V79 [0,0,0,1,0,0|2,0,1]=4 676 B8R1.35 OC(=O)COC1CC1 1P01BICC [0,0,0,1,0,0|2,0,1]=4 677 B8R1.35 OC(=O)CSC1CC1 1P01APH1 [0,0,0,1,0,0|2,0,1]=4 678 B8R1.51 CC1(O)CC(=O)NC1 1P00D8NX [0,0,0,1,0,0|2,0,1]=4 679 B8R1.51 O=C1CCC(C1)(C)C 1P002AAG [0,0,0,1,0,0|2,0,1]=4 680 B8R1.51 O=C1CCC(C1)(F)F 1P0015KZ [0,0,0,1,0,0|2,0,1]=4 681 B8R1.51 O=C1CCC(N1)(C)C 1P0034MN [0,0,0,1,0,0|2,0,1]=4 682 B8R1.51 O=C1CCC(O1)(C)C 1P007IPY [0,0,0,1,0,0|1,0,1]=3 683 B8R1.51 O=C1CCS(=N1)(=O)C 1P01EJ8G [0,0,0,1,0,0|2,0,0]=3 684 B8R1.51 O=C1CCS(=O)(=O)C1 1P00ACPY [0,0,0,1,0,0|1,0,1]=3 685 B8R1.51 O=C1CCS(=O)(=O)N1 1P01A7D1 [0,0,0,1,0,0|2,0,1]=4 686 B8R1.51 O=C1CCS(=O)(=O)O1 1P00E94M [0,0,0,1,0,0|2,0,0]=3 687 B8R1.51 O=C1COC(O1)(C)C 1P003FRW [0,0,0,1,0,0|2,0,1]=4 688 B8R1.51 O=C1NCC(O1)(C)C 1P00HCTB [0,0,0,1,0,0|2,0,1]=4 689 B8R1.77 CC(=O)C1CC1(C)C 1P004M9O [0,0,0,1,0,0|2,0,1]=4 690 B8R1.77 CC(=O)C1CC1(F)F 1P01C3S5 [0,0,0,1,0,0|2,0,1]=4 691 B8R1.77 CC1(Br)CC1C(=O)O 1P01B290 [0,0,0,1,0,0|1,0,1]=3 692 B8R1.77 ClC(=O)C1CC1(C)C 1P00DVL5 [0,0,0,1,0,0|2,0,1]=4 693 B8R1.77 NC(=O)C1CC1(C)C 1P0021R3 [0,0,0,1,0,0|2,0,1]=4 694 B8R1.77 NC(=O)[C@@H]1CC1(C)C 1P003CKE [0,0,0,1,0,0|2,0,1]=4 695 B8R1.77 NC(=O)[C@H]1CC1(C)C 1P003CWT [0,0,0,1,0,0|2,0,1]=4 696 B8R1.77 OC(=O)C1CC1(Br)Br 1P01HZIH [0,0,0,1,0,0|2,0,1]=4 697 B8R1.77 OC(=O)C1CC1(C)C 1P00371E [0,0,0,1,0,0|1,0,1]=3 698 B8R1.77 OC(=O)C1CC1(Cl)Cl 1P00D9E2 [0,0,0,1,0,0|2,0,1]=4 699 B8R1.77 OC(=O)C1CC1(F)Br 1P021KTX [0,0,0,1,0,0|2,0,1]=4 700 B8R1.77 OC(=O)C1CC1(F)Cl 1P0013A4 [0,0,0,1,0,0|2,0,1]=4 701 B8R1.77 OC(=O)C1CC1(F)F 1P003FRL [0,0,0,1,0,0|2,0,1]=4 702 B8R1.77 OC(=O)[C@@H]1CC1(Br)Br 1P0285VG [0,0,0,1,0,0|2,0,1]=4 703 B8R1.77 OC(=O)[C@@H]1CC1(F)F 1P002H9X [0,0,0,1,0,0|2,0,1]=4 704 B8R1.77 OC(=O)[C@H]1CC1(Br)Br 1P0283Q0 [0,0,0,1,0,0|2,0,1]=4 705 B8R1.77 OC(=O)[C@H]1CC1(C)C 1P001DYP [0,0,0,1,0,0|1,0,1]=3 706 B8R1.77 OC(=O)[C@H]1CC1(F)F 1P001UAI [0,0,0,1,0,0|2,0,1]=4 707 B6R0.2 BrC(=C)CC(=O)O 1P028J9X [0,0,0,0,1,0|1,0,1]=3 708 B6R0.2 BrC(=CC(=O)O)Br 1P00AZTD [0,0,0,0,1,0|2,0,1]=4 709 B6R0.2 CC(=C)CC(=O)C 1P00CLKE [0,0,0,0,1,0|2,0,0]=3 710 B6R0.2 CC(=C)CC(=O)O 1P001WA5 [0,0,0,0,1,0|1,0,0]=2 711 B6R0.2 CC(=C)OC(=O)C 1P0035IQ [0,0,0,0,1,0|3,0,0]=4 712 B6R0.2 CC(=CC(=O)C)C 1P001G6Y [0,0,0,0,1,0|2,0,1]=4 713 B6R0.2 CC(=CC(=O)C)O 1P001CNO [0,0,0,0,1,0|1,0,1]=3 714 B6R0.2 CC(=CC(=O)Cl)C 1P003K7P [0,0,0,0,1,0|2,0,1]=4 715 B6R0.2 CC(=CC(=O)N)C 1P01BER2 [0,0,0,0,1,0|2,0,1]=4 716 B6R0.2 CC(=CC(=O)O)C 1P0033YA [0,0,0,0,1,0|1,0,1]=3 717 B6R0.2 CC(=CC(=O)O)Cl 1P00DGVA [0,0,0,0,1,0|1,0,1]=3 718 B6R0.2 CC(=CC(=O)O)I 1P01JX6Y [0,0,0,0,1,0|1,0,1]=3 719 B6R0.2 CC(=O)CC(=O)C 1P000KDQ [0,0,0,0,1,0|1,0,0]=2 720 B6R0.2 CC(=O)CC(=O)C 1P003VUE [0,0,0,0,1,0|1,0,0]=2 721 B6R0.2 CC(=O)CC(=O)N 1P0034W3 [0,0,0,0,1,0|1,0,0]=2 722 B6R0.2 CC(=O)NC(=O)C 1P00355U [0,0,0,0,1,0|2,0,0]=3 723 B6R0.2 CC(=O)NC(=O)N 1P003O4P [0,0,0,0,1,0|2,0,0]=3 724 B6R0.2 CC(=O)NC(=S)N 1P00E9ZO [0,0,0,0,1,0|2,1,0]=4 725 B6R0.2 CC(=O)SC(=O)C 1P003O4E [0,0,0,0,1,0|2,0,0]=3 726 B6R0.2 CC(=O)[C-]C(=O)C 1P00236S [0,0,0,0,1,0|1,0,1]=3 727 B6R0.2 CC(=O)[CH-]C(=O)C 1P0016VZ [0,0,0,0,1,0|1,0,1]=3 728 B6R0.2 CC(=O)[CH-]C(=O)C 1P003OFD [0,0,0,0,1,0|1,0,1]=3 729 B6R0.2 CC(=O)[CH-]C(=O)C 1P003OGH [0,0,0,0,1,0|1,0,1]=3 730 B6R0.2 CC(=O)[CH-]C(=O)C 1P003UNO [0,0,0,0,1,0|1,0,1]=3 731 B6R0.2 CC(=O)[CH-]C(=O)C 1P00AQOO [0,0,0,0,1,0|1,0,1]=3 732 B6R0.2 CC(=O)[CH-]C(=O)C 1P00HU8W [0,0,0,0,1,0|1,0,1]=3 733 B6R0.2 CC(=O)[CH-]C(=O)C 1P00HW92 [0,0,0,0,1,0|1,0,1]=3 734 B6R0.2 CC(=O)[CH-]C(=O)C 1P00HYD8 [0,0,0,0,1,0|1,0,1]=3 735 B6R0.2 CC(=O)[CH-]C(=O)C 1P00IKXP [0,0,0,0,1,0|1,0,1]=3 736 B6R0.2 CC(CC(=O)C)N 1P00J23J [0,0,0,0,1,0|2,0,1]=4 737 B6R0.2 CC(CC(=O)C)O 1P00723Y [0,0,0,0,1,0|1,0,1]=3 738 B6R0.2 CC(CC(=O)Cl)C 1P0035J3 [0,0,0,0,1,0|2,0,1]=4 739 B6R0.2 CC(CC(=O)Cl)Cl 1P01BTXW [0,0,0,0,1,0|2,0,1]=4 740 B6R0.2 CC(CC(=O)F)C 1P01B7CV [0,0,0,0,1,0|2,0,1]=4 741 B6R0.2 CC(CC(=O)N)C 1P003RMF [0,0,0,0,1,0|2,0,1]=4 742 B6R0.2 CC(CC(=O)N)Cl 1P028G15 [0,0,0,0,1,0|2,0,1]=4 743 B6R0.2 CC(CC(=O)N)N 1P01C1RK [0,0,0,0,1,0|2,0,1]=4 744 B6R0.2 CC(CC(=O)N)O 1P007O9T [0,0,0,0,1,0|1,0,2]=4 745 B6R0.2 CC(CC(=O)O)Br 1P002SV2 [0,0,0,0,1,0|1,0,1]=3 746 B6R0.2 CC(CC(=O)O)C 1P003RMG [0,0,0,0,1,0|1,0,1]=3 747 B6R0.2 CC(CC(=O)O)Cl 1P003JRA [0,0,0,0,1,0|1,0,1]=3 748 B6R0.2 CC(CC(=O)O)F 1P028OF4 [0,0,0,0,1,0|1,0,1]=3 749 B6R0.2 CC(CC(=O)O)N 1P003JE2 [0,0,0,0,1,0|1,0,1]=3 750 B6R0.2 CC(CC(=O)O)O 1P003K12 [0,0,0,0,1,0|0,0,2]=3 751 B6R0.2 CC(CC(=O)O)S 1P002TTH [0,0,0,0,1,0|0,1,1]=3 752 B6R0.2 CC(CS(=O)C)O 1P02879G [0,0,0,0,1,0|2,0,1]=4 753 B6R0.2 CN(CC(=O)C)C 1P003DJS [0,0,0,0,1,0|3,0,0]=4 754 B6R0.2 CN(CC(=O)Cl)C 1P003Q3N [0,0,0,0,1,0|3,0,0]=4 755 B6R0.2 CN(CC(=O)N)C 1P01BFB9 [0,0,0,0,1,0|3,0,0]=4 756 B6R0.2 CN(CC(=O)O)C 1P002QBC [0,0,0,0,1,0|2,0,0]=3 757 B6R0.2 CN(CC(=O)O)C 1P003T1T [0,0,0,0,1,0|2,0,0]=3 758 B6R0.2 CS(=O)CC(=O)N 1P028O27 [0,0,0,0,1,0|2,0,0]=3 759 B6R0.2 C[C@@H](CC(=O)N)O 1P028625 [0,0,0,0,1,0|1,0,2]=4 760 B6R0.2 C[C@@H](CC(=O)O)F 1P028OKF [0,0,0,0,1,0|1,0,1]=3 761 B6R0.2 C[C@@H](CC(=O)O)N 1P0036AK [0,0,0,0,1,0|1,0,1]=3 762 B6R0.2 C[C@@H](CC(=O)O)N 1P00IAVS [0,0,0,0,1,0|1,0,1]=3 763 B6R0.2 C[C@@H](CC(=O)O)O 1P003ANQ [0,0,0,0,1,0|0,0,2]=3 764 B6R0.2 C[C@H](CC(=O)N)O 1P027UQQ [0,0,0,0,1,0|1,0,2]=4 765 B6R0.2 C[C@H](CC(=O)O)N 1P003CQA [0,0,0,0,1,0|1,0,1]=3 766 B6R0.2 C[C@H](CC(=O)O)N 1P00EB6J [0,0,0,0,1,0|1,0,1]=3 767 B6R0.2 C\C(=C/C(=O)C)\N 1P008UX7 [0,0,0,0,1,0|2,0,1]=4 768 B6R0.2 C\C(=C/C(=O)C)\O 1P003CFY [0,0,0,0,1,0|1,0,1]=3 769 B6R0.2 C\C(=C\C(=O)O)\I 1P00CS58 [0,0,0,0,1,0|1,0,1]=3 770 B6R0.2 ClC(=CC(=O)C)Cl 1P01GJGU [0,0,0,0,1,0|2,0,1]=4 771 B6R0.2 ClC(=CC(=O)O)Cl 1P00AZBK [0,0,0,0,1,0|2,0,1]=4 772 B6R0.2 ClC(=O)CC(=O)Cl 1P001X31 [0,0,0,0,1,0|2,0,0]=3 773 B6R0.2 ClC(CC(=O)O)Cl 1P027TVM [0,0,0,0,1,0|2,0,1]=4 774 B6R0.2 FC(CC(=O)O)F 1P001O4C [0,0,0,0,1,0|2,0,1]=4 775 B6R0.2 IC(=C)CC(=O)O 1P028XTD [0,0,0,0,1,0|1,0,1]=3 776 B6R0.2 NC(=N)CC(=O)N 1P0035L1 [0,0,0,0,1,0|3,0,0]=4 777 B6R0.2 NC(=N)NC(=O)C 1P0032OW [0,0,0,0,1,0|3,0,0]=4 778 B6R0.2 NC(=O)CC(=O)N 1P0035L2 [0,0,0,0,1,0|2,0,0]=3 779 B6R0.2 NC(=O)CC(=O)O 1P002NQP [0,0,0,0,1,0|1,0,0]=2 780 B6R0.2 NC(=O)CC(=S)N 1P0066II [0,0,0,0,1,0|2,1,0]=4 781 B6R0.2 NC(=O)NC(=O)N 1P003OV4 [0,0,0,0,1,0|3,0,0]=4 782 B6R0.2 [O-]C(=CC(=O)C)C 1P001DMI [0,0,0,0,1,0|1,0,2]=4 783 B6R0.2 [O-]C(=CC(=O)C)C 1P007K19 [0,0,0,0,1,0|1,0,2]=4 784 B6R0.2 [O-]C(=O)CC(=O)C 1P003B7E [0,0,0,0,1,0|0,0,1]=2 785 B6R0.2 [O-]C(=O)CC(=O)C 1P003RRI [0,0,0,0,1,0|0,0,1]=2 786 B6R0.2 [O-]C(=O)CC(=O)N 1P028GWT [0,0,0,0,1,0|1,0,1]=3 787 B6R0.2 [O-]C(=O)CC(=O)[O-] 1P000VMG [0,0,0,0,1,0|1,0,1]=3 788 B6R0.2 [O-]C(=O)CC(=O)[O-] 1P001G81 [0,0,0,0,1,0|1,0,1]=3 789 B6R0.2 [O-]C(=O)CC(=O)[O-] 1P002U04 [0,0,0,0,1,0|1,0,1]=3 790 B6R0.2 [O-]C(=O)CC(O)C 1P001MOO [0,0,0,0,1,0|0,0,3]=4 791 B6R0.2 [O-]C(=O)C[C@@H](O)C 1P000XO5 [0,0,0,0,1,0|0,0,3]=4 792 B6R0.2 [O-]C(=O)C[C@H](O)C 1P0032U9 [0,0,0,0,1,0|0,0,3]=4 793 B6R0.2 [O-]C(=O)C[S+](C)C 1P00I931 [0,0,0,0,1,0|2,0,1]=4 794 B6R0.2 [O-][N+](=O)CC(=O)C 1P0007M7 [0,0,0,0,1,0|1,0,1]=3 795 B6R0.2 [O-][N+](=O)CC(=O)N 1P001CID [0,0,0,0,1,0|2,0,1]=4 796 B6R0.2 [O-][N+](=O)CC(=O)N 1P01EB47 [0,0,0,0,1,0|2,0,1]=4 797 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P000730 [0,0,0,0,1,0|1,0,2]=4 798 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P000KUZ [0,0,0,0,1,0|1,0,2]=4 799 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P001JBG [0,0,0,0,1,0|1,0,2]=4 800 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P001O7Y [0,0,0,0,1,0|1,0,2]=4 801 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P001P65 [0,0,0,0,1,0|1,0,2]=4 802 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P0034ZO [0,0,0,0,1,0|1,0,2]=4 803 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P0035I1 [0,0,0,0,1,0|1,0,2]=4 804 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P003A2R [0,0,0,0,1,0|1,0,2]=4 805 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P003RWL [0,0,0,0,1,0|1,0,2]=4 806 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00AP2Z [0,0,0,0,1,0|1,0,2]=4 807 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00HXES [0,0,0,0,1,0|1,0,2]=4 808 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00I3HS [0,0,0,0,1,0|1,0,2]=4 809 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00IKWB [0,0,0,0,1,0|1,0,2]=4 810 B6R0.2 [O-]\C(=C\C(=O)C)\C 1P001CNL [0,0,0,0,1,0|1,0,2]=4 811 B6R0.2 [O-]\C(=C\C(=O)C)\C 1P00IM16 [0,0,0,0,1,0|1,0,2]=4 812 B8R0.28 CC(=C)CCCC(=O)O 1P00DCNZ [0,0,0,0,0,1|1,0,0]=2 813 B8R0.28 CC(=C)CNCC(=C)C 1P00C7DM [0,0,0,0,0,1|3,0,0]=4 814 B8R0.28 CC(=C)COCC(=O)O 1P0002E6 [0,0,0,0,0,1|1,0,0]=2 815 B8R0.28 CC(=C)C[Ru]CC(=C)C 1P003UMH [0,0,0,0,0,1|3,0,0]=4 816 B8R0.28 CC(=O)CCC=C(C)C 1P003NR6 [0,0,0,0,0,1|2,0,0]=3 817 B8R0.28 CC(=O)CCC=C(Cl)Cl 1P0282LP [0,0,0,0,0,1|2,0,0]=3 818 B8R0.28 CC(=O)CCCC(=O)C 1P00700E [0,0,0,0,0,1|1,0,0]=2 819 B8R0.28 CC(=O)CCCC(=O)O 1P003NES [0,0,0,0,0,1|0,0,0]=1 820 B8R0.28 CC(=O)CCOC(=O)C 1P00054J [0,0,0,0,0,1|1,0,0]=2 821 B8R0.28 CC(=O)OCC=C(C)C 1P000INH [0,0,0,0,0,1|2,0,1]=4 822 B8R0.28 CC(=O)OCOC(=O)C 1P0037DI [0,0,0,0,0,1|2,0,0]=3 823 B8R0.28 CC(=O)OCOC(=O)Cl 1P01BU6Z [0,0,0,0,0,1|2,0,0]=3 824 B8R0.28 CC(=O)O[Cd]OC(=O)C 1P003P3V [0,0,0,0,0,1|3,0,0]=4 825 B8R0.28 CC(=O)O[Pb]OC(=O)C 1P003RPZ [0,0,0,0,0,1|3,0,0]=4 826 B8R0.28 CC(CCC=C(C)C)O 1P001PJA [0,0,0,0,0,1|2,0,1]=4 827 B8R0.28 CC(CCCC(=O)C)C 1P003NRC [0,0,0,0,0,1|2,0,1]=4 828 B8R0.28 CC(CCCC(=O)Cl)Cl 1P01A4NJ [0,0,0,0,0,1|2,0,1]=4 829 B8R0.28 CC(CCCC(=O)O)N 1P01A3UJ [0,0,0,0,0,1|1,0,1]=3 830 B8R0.28 CC(CCCC(=O)O)O 1P003N9B [0,0,0,0,0,1|0,0,2]=3 831 B8R0.28 CC(CCNC(=O)C)C 1P0038AX [0,0,0,0,0,1|2,0,1]=4 832 B8R0.28 CC(CCNC(=O)N)C 1P00EZOW [0,0,0,0,0,1|2,0,1]=4 833 B8R0.28 CC(CCOC(=O)C)C 1P000KEB [0,0,0,0,0,1|2,0,1]=4 834 B8R0.28 CC(CCOC(=O)Cl)C 1P00EM5G [0,0,0,0,0,1|2,0,1]=4 835 B8R0.28 CC(CNCC(=O)C)C 1P01C40Z [0,0,0,0,0,1|2,0,1]=4 836 B8R0.28 CC(CNCC(=O)N)C 1P019LYO [0,0,0,0,0,1|2,0,1]=4 837 B8R0.28 CC(CNCC(=O)O)C 1P007IVW [0,0,0,0,0,1|1,0,1]=3 838 B8R0.28 CC(CNCC(=O)O)C 1P01AAQB [0,0,0,0,0,1|1,0,1]=3 839 B8R0.28 CC(CNCC(=O)[O-])O 1P028LAM [0,0,0,0,0,1|0,0,3]=4 840 B8R0.28 CC(COCC(=O)O)N 1P028TSW [0,0,0,0,0,1|1,0,1]=3 841 B8R0.28 CC(CSCC(=O)C)C 1P01AH6M [0,0,0,0,0,1|2,0,1]=4 842 B8R0.28 CC(CSCC(=O)O)C 1P00BWG5 [0,0,0,0,0,1|1,0,1]=3 843 B8R0.28 CC(NCCC(=O)N)C 1P002DMJ [0,0,0,0,0,1|2,0,1]=4 844 B8R0.28 CC(NCCC(=O)O)C 1P00I55W [0,0,0,0,0,1|1,0,1]=3 845 B8R0.28 CC(OCCC(=O)Cl)C 1P01B23N [0,0,0,0,0,1|2,0,1]=4 846 B8R0.28 CC(OCCC(=O)O)C 1P019MSC [0,0,0,0,0,1|1,0,1]=3 847 B8R0.28 CC(\C=C\CC(=O)O)C 1P01IP9Q [0,0,0,0,0,1|1,0,2]=4 848 B8R0.28 CN(CC#CC(=O)O)C 1P01NGIB [0,0,0,0,0,1|2,0,1]=4 849 B8R0.28 CN(CC=CC(=O)O)C 1P003KOC [0,0,0,0,0,1|2,0,1]=4 850 B8R0.28 CN(CCCC(=O)C)C 1P00C0OS [0,0,0,0,0,1|3,0,0]=4 851 B8R0.28 CN(CCCC(=O)Cl)C 1P01BAO9 [0,0,0,0,0,1|3,0,0]=4 852 B8R0.28 CN(CCCC(=O)O)C 1P0034HC [0,0,0,0,0,1|2,0,0]=3 853 B8R0.28 CN(CCCC(=O)O)C 1P0034HD [0,0,0,0,0,1|2,0,0]=3 854 B8R0.28 CN(CCNC(=O)N)C 1P01ANES [0,0,0,0,0,1|3,0,0]=4 855 B8R0.28 CN(CCOC(=O)C)C 1P001I9K [0,0,0,0,0,1|3,0,0]=4 856 B8R0.28 CN(C\C=C\C(=O)O)C 1P001MAY [0,0,0,0,0,1|2,0,1]=4 857 B8R0.28 CN(C\C=C\C(=O)O)C 1P0036C7 [0,0,0,0,0,1|2,0,1]=4 858 B8R0.28 C[C@@H](CCC=C(C)C)O 1P0037HK [0,0,0,0,0,1|2,0,1]=4 859 B8R0.28 C[C@H](CCC=C(C)C)O 1P003CJX [0,0,0,0,0,1|2,0,1]=4 860 B8R0.28 ClC(=O)CCCC(=O)Cl 1P000YGY [0,0,0,0,0,1|2,0,0]=3 861 B8R0.28 ClC(=O)CCSC(=O)C 1P01BACI [0,0,0,0,0,1|1,0,0]=2 862 B8R0.28 ClC(=O)COCC(=O)Cl 1P002LCO [0,0,0,0,0,1|2,0,0]=3 863 B8R0.28 FC(CCCC(=O)O)F 1P01AM1G [0,0,0,0,0,1|2,0,1]=4 864 B8R0.28 FC(COCC(=O)O)F 1P00C3SO [0,0,0,0,0,1|2,0,1]=4 865 B8R0.28 FC(CSCC(=O)O)F 1P027TWR [0,0,0,0,0,1|2,0,1]=4 866 B8R0.28 NC(=N)NCCC(=O)O 1P00I7GY [0,0,0,0,0,1|2,0,0]=3 867 B8R0.28 NC(=N)NOCC(=O)O 1P027UQI [0,0,0,0,0,1|3,0,0]=4 868 B8R0.28 NC(=O)CCCC(=O)N 1P003U2U [0,0,0,0,0,1|2,0,0]=3 869 B8R0.28 NC(=O)CCCC(=O)O 1P00BHF1 [0,0,0,0,0,1|1,0,0]=2 870 B8R0.28 NC(=O)CNCC(=O)N 1P007P7Q [0,0,0,0,0,1|2,0,0]=3 871 B8R0.28 NC(=O)CNCC(=O)O 1P028IIA [0,0,0,0,0,1|1,0,0]=2 872 B8R0.28 NC(=O)COCC(=O)O 1P007QEZ [0,0,0,0,0,1|1,0,0]=2 873 B8R0.28 NC(=O)CONC(=O)C 1P0290SC [0,0,0,0,0,1|2,0,0]=3 874 B8R0.28 NC(=O)CSCC(=O)O 1P00151K [0,0,0,0,0,1|1,0,0]=2 875 B8R0.28 OC(=O)CC=CC(=O)O 1P003R8C [0,0,0,0,0,1|1,0,1]=3 876 B8R0.28 OC(=O)CCC=C(C)C 1P00EDMO [0,0,0,0,0,1|1,0,0]=2 877 B8R0.28 OC(=O)CCCC(=O)O 1P003R8G [0,0,0,0,0,1|1,0,0]=2 878 B8R0.28 OC(=O)CCNC(=O)C 1P002ZTO [0,0,0,0,0,1|0,0,0]=1 879 B8R0.28 OC(=O)CCNC(=O)N 1P003KDU [0,0,0,0,0,1|1,0,0]=2 880 B8R0.28 OC(=O)CCOC(=O)C 1P019UFL [0,0,0,0,0,1|0,0,0]=1 881 B8R0.28 OC(=O)CCSC(=O)C 1P003IMM [0,0,0,0,0,1|0,0,0]=1 882 B8R0.28 OC(=O)CNCC(=O)O 1P0035HA [0,0,0,0,0,1|1,0,0]=2 883 B8R0.28 OC(=O)CNCC(=O)O 1P00BHE4 [0,0,0,0,0,1|1,0,0]=2 884 B8R0.28 OC(=O)COCC(=O)O 1P003FT6 [0,0,0,0,0,1|1,0,0]=2 885 B8R0.28 OC(=O)CSCC(=O)O 1P000KEA [0,0,0,0,0,1|1,0,0]=2 886 B8R0.28 OC(=O)C\C=C\C(=O)O 1P003R8D [0,0,0,0,0,1|1,0,1]=3 887 B8R0.28 OC(=O)O[Pd+2]OC(=O)O 1P003V2Y [0,0,0,0,0,1|3,0,0]=4 888 B8R0.28 OC(=S)COCC(=S)O 1P003Q8W [0,0,0,0,0,1|1,1,1]=4 889 B8R0.28 SC(=N)NCCC(=O)O 1P003K2U [0,0,0,0,0,1|1,1,0]=3 890 B8R0.28 [O-]C(=O)CNCC(=O)O 1P0021RM [0,0,0,0,0,1|1,0,0]=2 891 B8R0.28 [O-]C(=O)CNCC(=O)[O-] 1P003Q82 [0,0,0,0,0,1|1,0,1]=3 892 B8R0.28 [O-]C(=O)CSCC(=O)C 1P019YXQ [0,0,0,0,0,1|0,0,1]=2 893 B8R0.28 [O-][N+](=O)CCCC(=O)N 1P00B5ID [0,0,0,0,0,1|2,0,1]=4 894 B8R0.28 [O-][N+](=O)CCCC(=O)O 1P001VKG [0,0,0,0,0,1|2,0,0]=3 895 B5R0.1 CC#CC(=O)O 1P0037I0 [2,0,0,0,0,0|0,0,2]=4 896 B5R0.1 CC(=C)CCBr 1P002D6V [2,0,0,0,0,0|2,0,0]=4 897 B5R0.1 CC(=C)CCI 1P01BBJI [2,0,0,0,0,0|2,0,0]=4 898 B5R0.1 CC(=C)CCN 1P01AVCN [2,0,0,0,0,0|2,0,0]=4 899 B5R0.1 CC(=C)CCO 1P003K67 [2,0,0,0,0,0|1,0,0]=3 900 B5R0.1 CC(=O)C=NO 1P00314I [2,0,0,0,0,0|1,0,1]=4 901 B5R0.1 CC(=O)CC#N 1P002PIW [2,0,0,0,0,0|1,0,1]=4 902 B5R0.1 CC(=O)CC=C 1P001AA7 [2,0,0,0,0,0|0,0,1]=3 903 B5R0.1 CC(=O)CCBr 1P002W1I [2,0,0,0,0,0|1,0,0]=3 904 B5R0.1 CC(=O)CCCl 1P0036JS [2,0,0,0,0,0|1,0,0]=3 905 B5R0.1 CC(=O)CCI 1P028RF9 [2,0,0,0,0,0|1,0,0]=3 906 B5R0.1 CC(=O)CCN 1P00I4LI [2,0,0,0,0,0|1,0,0]=3 907 B5R0.1 CC(=O)CCO 1P0034IJ [2,0,0,0,0,0|0,0,0]=2 908 B5R0.1 CC(=O)NC=C 1P003TV1 [2,0,0,0,0,0|1,0,1]=4 909 B5R0.1 CC(=O)NCO 1P0037Q6 [2,0,0,0,0,0|1,0,0]=3 910 B5R0.1 CC(=O)OC=C 1P003O49 [2,0,0,0,0,0|1,0,1]=4 911 B5R0.1 CC(=O)OCBr 1P003P1B [2,0,0,0,0,0|2,0,0]=4 912 B5R0.1 CC(=O)OCCl 1P0037HI [2,0,0,0,0,0|2,0,0]=4 913 B5R0.1 CC(=O)OCI 1P01BE17 [2,0,0,0,0,0|2,0,0]=4 914 B5R0.1 CC(=O)SCBr 1P01BIB9 [2,0,0,0,0,0|2,0,0]=4 915 B5R0.1 CC(=O)SCI 1P01EMD1 [2,0,0,0,0,0|2,0,0]=4 916 B5R0.1 CC(=O)\C=C\Cl 1P0072VO [2,0,0,0,0,0|1,0,1]=4 917 B5R0.1 CC(CCO)Cl 1P01AV14 [2,0,0,0,0,0|1,0,1]=4 918 B5R0.1 CC(CCO)F 1P0280HC [2,0,0,0,0,0|1,0,1]=4 919 B5R0.1 CC(CCO)N 1P002WI2 [2,0,0,0,0,0|1,0,1]=4 920 B5R0.1 CC(CCO)S 1P019RAT [2,0,0,0,0,0|0,1,1]=4 921 B5R0.1 CC=CC(=O)C 1P0039SF [2,0,0,0,0,0|1,0,1]=4 922 B5R0.1 CC=CC(=O)N 1P002NE7 [2,0,0,0,0,0|1,0,1]=4 923 B5R0.1 CCCB(O)O 1P0025SU [2,0,0,0,0,0|1,0,1]=4 924 B5R0.1 CCCC(=C)C 1P003I23 [2,0,0,0,0,0|1,0,1]=4 925 B5R0.1 CCCC(=N)N 1P003ABQ [2,0,0,0,0,0|2,0,0]=4 926 B5R0.1 CCCC(=O)C 1P0038PH [2,0,0,0,0,0|0,0,1]=3 927 B5R0.1 CCCC(=O)N 1P003P36 [2,0,0,0,0,0|1,0,0]=3 928 B5R0.1 CCCC(=O)O 1P0038GU [2,0,0,0,0,0|0,0,0]=2 929 B5R0.1 CCCC(=O)[O-] 1P00EBJ7 [2,0,0,0,0,0|0,0,1]=3 930 B5R0.1 CCCC(=O)[O-] 1P01XCJO [2,0,0,0,0,0|0,0,1]=3 931 B5R0.1 CCCC(=S)N 1P001WK6 [2,0,0,0,0,0|1,1,0]=4 932 B5R0.1 CCCC(=S)O 1P003K88 [2,0,0,0,0,0|0,1,0]=3 933 B5R0.1 CCCC(O)C 1P00F3M1 [2,0,0,0,0,0|1,0,1]=4 934 B5R0.1 CCCN(=O)=O 1P003F15 [2,0,0,0,0,0|1,0,1]=4 935 B5R0.1 CCCS(=O)Cl 1P002N6R [2,0,0,0,0,0|2,0,0]=4 936 B5R0.1 CCCS(=O)N 1P01BFYB [2,0,0,0,0,0|2,0,0]=4 937 B5R0.1 CCC[C@@H](O)C 1P002SLB [2,0,0,0,0,0|1,0,1]=4 938 B5R0.1 CCC[C@H](O)C 1P0032K0 [2,0,0,0,0,0|1,0,1]=4 939 B5R0.1 CCNC(=O)C 1P003TGP [2,0,0,0,0,0|1,0,1]=4 940 B5R0.1 CCNC(=O)N 1P0035E0 [2,0,0,0,0,0|2,0,0]=4 941 B5R0.1 CCOC(=O)C 1P001G6Z [2,0,0,0,0,0|1,0,1]=4 942 B5R0.1 CCOC(=O)N 1P003691 [2,0,0,0,0,0|2,0,0]=4 943 B5R0.1 CN(CCO)N 1P028MN5 [2,0,0,0,0,0|2,0,0]=4 944 B5R0.1 CNCC(=O)N 1P0033CB [2,0,0,0,0,0|2,0,0]=4 945 B5R0.1 CNCC(=O)O 1P003UNZ [2,0,0,0,0,0|1,0,0]=3 946 B5R0.1 CNCC(=O)O 1P003UO1 [2,0,0,0,0,0|1,0,0]=3 947 B5R0.1 COCC(=O)C 1P0035LL [2,0,0,0,0,0|1,0,1]=4 948 B5R0.1 COCC(=O)Cl 1P003RYU [2,0,0,0,0,0|2,0,0]=4 949 B5R0.1 COCC(=O)N 1P001UIN [2,0,0,0,0,0|2,0,0]=4 950 B5R0.1 COCC(=O)O 1P0035LK [2,0,0,0,0,0|1,0,0]=3 951 B5R0.1 CP(=O)CC=C 1P028EBH [2,0,0,0,0,0|1,0,1]=4 952 B5R0.1 CS(=O)CCCl 1P01C4QD [2,0,0,0,0,0|2,0,0]=4 953 B5R0.1 CS(=O)CCN 1P00DGD5 [2,0,0,0,0,0|2,0,0]=4 954 B5R0.1 CSCC(=O)C 1P001GCU [2,0,0,0,0,0|1,0,1]=4 955 B5R0.1 CSCC(=O)Cl 1P007DQ1 [2,0,0,0,0,0|2,0,0]=4 956 B5R0.1 CSCC(=O)N 1P0039C2 [2,0,0,0,0,0|2,0,0]=4 957 B5R0.1 CSCC(=O)O 1P003CI8 [2,0,0,0,0,0|1,0,0]=3 958 B5R0.1 C[C@@H](CCO)F 1P027U2B [2,0,0,0,0,0|1,0,1]=4 959 B5R0.1 C[C@@H](CCO)N 1P00392C [2,0,0,0,0,0|1,0,1]=4 960 B5R0.1 C[C@H](CCO)F 1P0280GN [2,0,0,0,0,0|1,0,1]=4 961 B5R0.1 C[C@H](CCO)N 1P003CQ7 [2,0,0,0,0,0|1,0,1]=4 962 B5R0.1 C\C=C\C(=O)C 1P0032ET [2,0,0,0,0,0|1,0,1]=4 963 B5R0.1 C\C=C\C(=O)Cl 1P00359Z [2,0,0,0,0,0|1,0,1]=4 964 B5R0.1 C\C=C\C(=O)N 1P00EF6M [2,0,0,0,0,0|1,0,1]=4 965 B5R0.1 C\C=C\C(=O)O 1P00353L [2,0,0,0,0,0|0,0,1]=3 966 B5R0.1 ClC(=O)CC=C 1P001EYT [2,0,0,0,0,0|1,0,1]=4 967 B5R0.1 ClC(=O)CCBr 1P003JLT [2,0,0,0,0,0|2,0,0]=4 968 B5R0.1 FCCC(=O)Cl 1P006UO9 [2,0,0,0,0,0|2,0,0]=4 969 B5R0.1 NC(=N)CCO 1P000YQA [2,0,0,0,0,0|2,0,0]=4 970 B5R0.1 NC(=N)CCO 1P00DC0R [2,0,0,0,0,0|2,0,0]=4 971 B5R0.1 NC(=O)CCBr 1P003919 [2,0,0,0,0,0|2,0,0]=4 972 B5R0.1 NC(=O)CCCl 1P003JS0 [2,0,0,0,0,0|2,0,0]=4 973 B5R0.1 NC(=O)CCO 1P002TZD [2,0,0,0,0,0|1,0,0]=3 974 B5R0.1 NC(=O)CCS 1P0038WG [2,0,0,0,0,0|1,1,0]=4 975 B5R0.1 NC(=O)CN=C 1P003SKE [2,0,0,0,0,0|2,0,0]=4 976 B5R0.1 NC(=O)CNO 1P0281CX [2,0,0,0,0,0|2,0,0]=4 977 B5R0.1 NC(=S)CCO 1P0291FG [2,0,0,0,0,0|1,1,0]=4 978 B5R0.1 NCCC(=O)N 1P00E94U [2,0,0,0,0,0|2,0,0]=4 979 B5R0.1 NCCC(=O)O 1P00369Y [2,0,0,0,0,0|1,0,0]=3 980 B5R0.1 NCCP(=O)O 1P028LEE [2,0,0,0,0,0|2,0,0]=4 981 B5R0.1 NCCS(=O)O 1P0035H1 [2,0,0,0,0,0|2,0,0]=4 982 B5R0.1 NNCC(=O)O 1P001GYX [2,0,0,0,0,0|2,0,0]=4 983 B5R0.1 NNCC(=O)O 1P01A6IH [2,0,0,0,0,0|2,0,0]=4 984 B5R0.1 NOCC(=O)O 1P00291K [2,0,0,0,0,0|2,0,0]=4 985 B5R0.1 NOCC(=O)O 1P002Y6G [2,0,0,0,0,0|2,0,0]=4 986 B5R0.1 NOCC(=O)O 1P006TUD [2,0,0,0,0,0|2,0,0]=4 987 B5R0.1 O=CC=C(C)C 1P00347P [2,0,0,0,0,0|1,0,1]=4 988 B5R0.1 O=CCC(C)C 1P003938 [2,0,0,0,0,0|1,0,1]=4 989 B5R0.1 O=CCN(C)C 1P000R2Q [2,0,0,0,0,0|2,0,0]=4 990 B5R0.1 O=CCN(C)C 1P001GSU [2,0,0,0,0,0|2,0,0]=4 991 B5R0.1 O=S=NC(=O)C 1P001XZM [2,0,0,0,0,0|2,0,0]=4 992 B5R0.1 OC(=O)C=C=C 1P028O5X [2,0,0,0,0,0|0,0,2]=4 993 B5R0.1 OC(=O)CC#C 1P002NQQ [2,0,0,0,0,0|0,0,2]=4 994 B5R0.1 OC(=O)CC#N 1P00353R [2,0,0,0,0,0|1,0,1]=4 995 B5R0.1 OC(=O)CC#N 1P008VPM [2,0,0,0,0,0|1,0,1]=4 996 B5R0.1 OC(=O)CC=C 1P00369B [2,0,0,0,0,0|0,0,1]=3 997 B5R0.1 OC(=O)CCBr 1P003JLR [2,0,0,0,0,0|1,0,0]=3 998 B5R0.1 OC(=O)CCCl 1P003JS1 [2,0,0,0,0,0|1,0,0]=3 999 B5R0.1 OC(=O)CCF 1P00DG5V [2,0,0,0,0,0|1,0,0]=3 1000 B5R0.1 OC(=O)CCI 1P001G70 [2,0,0,0,0,0|1,0,0]=3 1001 B5R0.1 OC(=O)CCS 1P00347D [2,0,0,0,0,0|0,1,0]=3 1002 B5R0.1 OC(=O)\C=C/Br 1P001VXS [2,0,0,0,0,0|1,0,1]=4 1003 B5R0.1 OC(=O)\C=C/Cl 1P001VXR [2,0,0,0,0,0|1,0,1]=4 1004 B5R0.1 OC(=O)\C=C/I 1P00E99X [2,0,0,0,0,0|1,0,1]=4 1005 B5R0.1 OC(=O)\C=C\Br 1P003CH9 [2,0,0,0,0,0|1,0,1]=4 1006 B5R0.1 OC(=O)\C=C\I 1P003CHA [2,0,0,0,0,0|1,0,1]=4 1007 B5R0.1 OCC=C(C)C 1P003K5R [2,0,0,0,0,0|1,0,1]=4 1008 B5R0.1 OCCC(=C)Br 1P003JHK [2,0,0,0,0,0|1,0,1]=4 1009 B5R0.1 OCCC(=C)C 1P008NDS [2,0,0,0,0,0|1,0,0]=3 1010 B5R0.1 OCCC(=C)F 1P027XC4 [2,0,0,0,0,0|1,0,1]=4 1011 B5R0.1 OCCC(=O)O 1P00387S [2,0,0,0,0,0|0,0,1]=3 1012 B5R0.1 OCCC(C)C 1P000KDR [2,0,0,0,0,0|1,0,1]=4 1013 B5R0.1 OCCC(O)C 1P003BUN [2,0,0,0,0,0|0,0,2]=4 1014 B5R0.1 OCCN(=O)=O 1P0033VL [2,0,0,0,0,0|2,0,0]=4 1015 B5R0.1 OCCN(C)C 1P002QJK [2,0,0,0,0,0|2,0,0]=4 1016 B5R0.1 OCCN(C)C 1P0033C5 [2,0,0,0,0,0|2,0,0]=4 1017 B5R0.1 OCCN(C)C 1P00379C [2,0,0,0,0,0|2,0,0]=4 1018 B5R0.1 OCC[C@@H](O)C 1P002PAL [2,0,0,0,0,0|0,0,2]=4 1019 B5R0.1 OCC[C@H](O)C 1P0032U4 [2,0,0,0,0,0|0,0,2]=4 1020 B5R0.1 ONCC(=O)O 1P007CCU [2,0,0,0,0,0|1,0,1]=4 1021 B5R0.1 SCCC(=O)O 1P007OUY [2,0,0,0,0,0|0,1,0]=3 1022 B5R0.1 [O-]C(=O)CCC 1P001OVQ [2,0,0,0,0,0|0,0,1]=3 1023 B5R0.1 [O-]C(=O)CCN 1P001XGH [2,0,0,0,0,0|1,0,1]=4 1024 B5R0.1 [O-]C(=O)CCO 1P00EFHM [2,0,0,0,0,0|1,0,0]=3 1025 B5R0.1 [O-]C(=O)CNC 1P003UUQ [2,0,0,0,0,0|1,0,1]=4 1026 B5R0.1 [O-]C=CC(=O)C 1P028582 [2,0,0,0,0,0|0,0,2]=4 1027 B5R0.1 [O-]S(=O)CCC 1P01BCHD [2,0,0,0,0,0|1,0,1]=4 1028 B5R0.1 [O-]S(=O)CCO 1P02922D [2,0,0,0,0,0|2,0,0]=4 1029 B5R0.2 BrCCCC=O 1P01A6RF [2,0,0,0,0,0|1,0,1]=4 1030 B5R0.2 C=CCCC=C 1P003E7G [2,0,0,0,0,0|1,0,1]=4 1031 B5R0.2 C=CCCC=C 1P003P92 [2,0,0,0,0,0|1,0,1]=4 1032 B5R0.2 C=CCCC=O 1P002KZ4 [2,0,0,0,0,0|0,0,1]=3 1033 B5R0.2 C=CCNC=O 1P001TNE [2,0,0,0,0,0|1,0,1]=4 1034 B5R0.2 CCCCC=O 1P003VQU [2,0,0,0,0,0|0,0,1]=3 1035 B5R0.2 CCCCNO 1P01BKUP [2,0,0,0,0,0|1,0,1]=4 1036 B5R0.2 CCSCC=O 1P01AC7G [2,0,0,0,0,0|1,0,1]=4 1037 B5R0.2 CNCCC=C 1P01B1UO [2,0,0,0,0,0|2,0,0]=4 1038 B5R0.2 CNCCC=C 1P01DH0V [2,0,0,0,0,0|2,0,0]=4 1039 B5R0.2 CNCCCO 1P003IPD [2,0,0,0,0,0|1,0,1]=4 1040 B5R0.2 COCCC=C 1P01B6VT [2,0,0,0,0,0|2,0,0]=4 1041 B5R0.2 COCCC=O 1P007M22 [2,0,0,0,0,0|1,0,0]=3 1042 B5R0.2 COCCCO 1P001RGO [2,0,0,0,0,0|1,0,1]=4 1043 B5R0.2 COCCNO 1P0285VP [2,0,0,0,0,0|2,0,0]=4 1044 B5R0.2 CSCCC=O 1P003IQ1 [2,0,0,0,0,0|1,0,0]=3 1045 B5R0.2 CSCCCO 1P00I9J4 [2,0,0,0,0,0|1,0,1]=4 1046 B5R0.2 C\C=C\CCO 1P008QP2 [2,0,0,0,0,0|0,0,2]=4 1047 B5R0.2 ClCCCC=O 1P00EH8M [2,0,0,0,0,0|1,0,1]=4 1048 B5R0.2 O=CCCC#C 1P01DL12 [2,0,0,0,0,0|0,0,2]=4 1049 B5R0.2 O=CCCC=O 1P01DOB9 [2,0,0,0,0,0|0,0,0]=2 1050 B5R0.2 O=CNNC=O 1P00331G [2,0,0,0,0,0|2,0,0]=4 1051 B5R0.2 OCCCC=C 1P004WX4 [2,0,0,0,0,0|0,0,2]=4 1052 B5R0.2 OCCCC=O 1P00BGD0 [2,0,0,0,0,0|0,0,1]=3 1053 B5R0.2 OCCOC=O 1P00EL36 [2,0,0,0,0,0|1,0,1]=4 1054 B5R0.2 ONCCC=C 1P0282HY [2,0,0,0,0,0|1,0,1]=4 1055 B7R0.2 CC(=C)CC(CO)N 1P01BIQ2 [1,1,0,0,0,0|1,0,1]=4 1056 B7R0.2 CC(C#N)CC(=O)C 1P00D1CU [1,1,0,0,0,0|1,0,1]=4 1057 B7R0.2 CC(C#N)CC(=O)O 1P01B8RV [1,1,0,0,0,0|1,0,1]=4 1058 B7R0.2 CC(C=C)CC(=O)O 1P002H0Z [1,1,0,0,0,0|0,0,1]=3 1059 B7R0.2 CC(C=C)OC(=O)C 1P003JM8 [1,1,0,0,0,0|2,0,0]=4 1060 B7R0.2 CC(CC)CC(=O)O 1P00359B [1,1,0,0,0,0|0,0,1]=3 1061 B7R0.2 CC(CF)CC(=O)O 1P01SVBB [1,1,0,0,0,0|1,0,1]=4 1062 B7R0.2 CC(CN)CC(=O)O 1P01A0Y2 [1,1,0,0,0,0|1,0,1]=4 1063 B7R0.2 CC(NC)CC(=O)N 1P00J30L [1,1,0,0,0,0|2,0,0]=4 1064 B7R0.2 CC(NC)CC(=O)O 1P001XOH [1,1,0,0,0,0|1,0,0]=3 1065 B7R0.2 CC(OC)CC(=O)O 1P0001T2 [1,1,0,0,0,0|1,0,0]=3 1066 B7R0.2 CC(SC)CC(=O)O 1P00B61I [1,1,0,0,0,0|1,0,0]=3 1067 B7R0.2 CCC(CC(=O)C)C 1P0038PR [1,1,0,0,0,0|1,0,1]=4 1068 B7R0.2 CCC(CC(=O)O)N 1P003ANY [1,1,0,0,0,0|0,0,1]=3 1069 B7R0.2 CCC(CC(=O)O)N 1P00AQ4O [1,1,0,0,0,0|0,0,1]=3 1070 B7R0.2 CCC(CC(=O)O)O 1P0007RC [1,1,0,0,0,0|0,0,1]=3 1071 B7R0.2 CCS(=O)CC(=O)O 1P00EEBB [1,1,0,0,0,0|1,0,1]=4 1072 B7R0.2 CC[C@@H](CC(=O)O)N 1P001J1T [1,1,0,0,0,0|0,0,1]=3 1073 B7R0.2 CC[C@@H](CC(=O)O)N 1P01DTYS [1,1,0,0,0,0|0,0,1]=3 1074 B7R0.2 CC[C@@H](CC(=O)O)O 1P01EKL5 [1,1,0,0,0,0|0,0,1]=3 1075 B7R0.2 CC[C@H](CC(=O)O)N 1P00IJD7 [1,1,0,0,0,0|0,0,1]=3 1076 B7R0.2 CC[C@H](CC(=O)O)O 1P01EKMU [1,1,0,0,0,0|0,0,1]=3 1077 B7R0.2 CN(CC)CC(=O)O 1P003AQF [1,1,0,0,0,0|1,0,1]=4 1078 B7R0.2 CN(CC)CC(=O)O 1P028PG4 [1,1,0,0,0,0|1,0,1]=4 1079 B7R0.2 CNC(=O)CC(=O)O 1P00C9G5 [1,1,0,0,0,0|1,0,1]=4 1080 B7R0.2 C[C@@H](C=C)CC(=O)O 1P005CDB [1,1,0,0,0,0|0,0,1]=3 1081 B7R0.2 C[C@@H](CC)CC(=O)O 1P007CFN [1,1,0,0,0,0|0,0,1]=3 1082 B7R0.2 C[C@H](CC)CC(=O)O 1P00AQ4A [1,1,0,0,0,0|0,0,1]=3 1083 B7R0.2 C[C@H](CN)CC(=O)O 1P01BS0C [1,1,0,0,0,0|1,0,1]=4 1084 B7R0.2 NCC(CC(=O)O)N 1P01AIHR [1,1,0,0,0,0|1,0,1]=4 1085 B7R0.2 NCC(CC(=O)O)O 1P0036KT [1,1,0,0,0,0|1,0,1]=4 1086 B7R0.2 NC[C@@H](CC(=O)O)C 1P01C10F [1,1,0,0,0,0|1,0,1]=4 1087 B7R0.2 NC[C@@H](CC(=O)O)O 1P00FBR6 [1,1,0,0,0,0|1,0,1]=4 1088 B7R0.2 NC[C@H](CC(=O)O)O 1P0032WR [1,1,0,0,0,0|1,0,1]=4 1089 B7R0.2 NNC(CC(=O)O)C 1P01BE2H [1,1,0,0,0,0|2,0,0]=4 1090 B7R0.2 O=CC(CC(C)C)C 1P007MEQ [1,1,0,0,0,0|1,0,1]=4 1091 B7R0.2 O=CN(CC(=O)O)O 1P005NMO [1,1,0,0,0,0|1,0,0]=3 1092 B7R0.2 O=NN(CC(=O)O)C 1P0011AW [1,1,0,0,0,0|2,0,0]=4 1093 B7R0.2 OCC(CC(=O)O)N 1P00EDPJ [1,1,0,0,0,0|0,0,2]=4 1094 B7R0.2 OC[C@@H](CC(=O)O)N 1P001VOE [1,1,0,0,0,0|0,0,2]=4 1095 B7R0.2 OC[C@H](CC(=O)O)N 1P001VOD [1,1,0,0,0,0|0,0,2]=4 1096 B7R0.2 O[C@H](CF)CC(=O)O 1P029037 [1,1,0,0,0,0|1,0,1]=4 1097 B7R0.2 [O-]C(=O)CC(CO)C 1P01EMTK [1,1,0,0,0,0|1,0,1]=4 1098 B7R0.3 BrCC(=O)CCC=C 1P001E19 [1,1,0,0,0,0|1,0,0]=3 1099 B7R0.3 BrCCCC(=O)CBr 1P01C40P [1,1,0,0,0,0|1,0,1]=4 1100 B7R0.3 BrCCCC(=O)CC 1P0029WY [1,1,0,0,0,0|1,0,1]=4 1101 B7R0.3 C=CCCC(C=O)C 1P01DW2X [1,1,0,0,0,0|1,0,1]=4 1102 B7R0.3 CC(OC)CCC=O 1P01C9S2 [1,1,0,0,0,0|0,0,2]=4 1103 B7R0.3 CCC(=O)CCC=C 1P01A9QQ [1,1,0,0,0,0|1,0,0]=3 1104 B7R0.3 CCCCC(=N)NO 1P00650U [1,1,0,0,0,0|1,0,1]=4 1105 B7R0.3 CCCCC(=O)CBr 1P021RD0 [1,1,0,0,0,0|1,0,1]=4 1106 B7R0.3 CCCCC(=O)CC 1P003JZ2 [1,1,0,0,0,0|1,0,1]=4 1107 B7R0.3 CCCCC(=O)CCl 1P0028ST [1,1,0,0,0,0|1,0,1]=4 1108 B7R0.3 CCCCC(=O)CN 1P01HITA [1,1,0,0,0,0|1,0,1]=4 1109 B7R0.3 CCCCC(=O)NN 1P003VQV [1,1,0,0,0,0|1,0,1]=4 1110 B7R0.3 CCCCC(=O)OC 1P003SJO [1,1,0,0,0,0|0,0,1]=3 1111 B7R0.3 CCCOC(=O)OC 1P00E956 [1,1,0,0,0,0|1,0,1]=4 1112 B7R0.3 CCNCC(=O)OC 1P00HCTF [1,1,0,0,0,0|1,0,1]=4 1113 B7R0.3 CCOCC(=O)OC 1P002545 [1,1,0,0,0,0|1,0,1]=4 1114 B7R0.3 CCSCC(=O)OC 1P002AX7 [1,1,0,0,0,0|1,0,1]=4 1115 B7R0.3 CN(N=O)CCCO 1P00374Z [1,1,0,0,0,0|1,0,1]=4 1116 B7R0.3 CNC(=O)CCC#C 1P027V64 [1,1,0,0,0,0|1,0,1]=4 1117 B7R0.3 CNC(=O)CCCCl 1P019VUY [1,1,0,0,0,0|1,0,1]=4 1118 B7R0.3 CNC(=O)CCCN 1P00AXOC [1,1,0,0,0,0|1,0,1]=4 1119 B7R0.3 CNC(=O)CCCS 1P01A62M [1,1,0,0,0,0|0,1,1]=4 1120 B7R0.3 CNC(=O)NCCO 1P00EE24 [1,1,0,0,0,0|1,0,1]=4 1121 B7R0.3 CNC(=O)OCCO 1P0011WV [1,1,0,0,0,0|1,0,1]=4 1122 B7R0.3 CNCCC(=O)NC 1P003TN5 [1,1,0,0,0,0|2,0,0]=4 1123 B7R0.3 CNCCC(=O)NC 1P00EEY9 [1,1,0,0,0,0|2,0,0]=4 1124 B7R0.3 CNCCC(=O)NN 1P027U3C [1,1,0,0,0,0|2,0,0]=4 1125 B7R0.3 CNCCC(=O)OC 1P002OYU [1,1,0,0,0,0|1,0,0]=3 1126 B7R0.3 CNCCC(=O)OC 1P00IBX1 [1,1,0,0,0,0|1,0,0]=3 1127 B7R0.3 CNOCC(=O)OC 1P01EKGE [1,1,0,0,0,0|2,0,0]=4 1128 B7R0.3 COC(=O)CCC#C 1P00C4D8 [1,1,0,0,0,0|0,0,2]=4 1129 B7R0.3 COC(=O)CCC#N 1P003S8Q [1,1,0,0,0,0|1,0,1]=4 1130 B7R0.3 COC(=O)CCC=C 1P003SCU [1,1,0,0,0,0|0,0,1]=3 1131 B7R0.3 COC(=O)CCC=O 1P0036KR [1,1,0,0,0,0|0,0,0]=2 1132 B7R0.3 COC(=O)CCCBr 1P0035O3 [1,1,0,0,0,0|1,0,1]=4 1133 B7R0.3 COC(=O)CCCCl 1P0034GP [1,1,0,0,0,0|1,0,1]=4 1134 B7R0.3 COC(=O)CCCI 1P003SCF [1,1,0,0,0,0|1,0,1]=4 1135 B7R0.3 COC(=O)CCCN 1P000UR2 [1,1,0,0,0,0|1,0,1]=4 1136 B7R0.3 COC(=O)CCCS 1P00C7YW [1,1,0,0,0,0|0,1,1]=4 1137 B7R0.3 COC(=O)CN=C=O 1P0032AJ [1,1,0,0,0,0|1,0,1]=4 1138 B7R0.3 COC(=O)CNC=O 1P003TI3 [1,1,0,0,0,0|1,0,0]=3 1139 B7R0.3 COC(=O)NCCO 1P01AK5W [1,1,0,0,0,0|1,0,1]=4 1140 B7R0.3 COC(=O)OCC=C 1P0034WL [1,1,0,0,0,0|1,0,1]=4 1141 B7R0.3 COC(=O)\C=C\C=O 1P003R5P [1,1,0,0,0,0|0,0,2]=4 1142 B7R0.3 COC(=S)CCC=C 1P0060E3 [1,1,0,0,0,0|0,1,1]=4 1143 B7R0.3 COCCC(=N)NO 1P0057HZ [1,1,0,0,0,0|2,0,0]=4 1144 B7R0.3 COCCC(=O)CBr 1P027L2W [1,1,0,0,0,0|2,0,0]=4 1145 B7R0.3 COCCC(=O)CCl 1P01A0MB [1,1,0,0,0,0|2,0,0]=4 1146 B7R0.3 COCCC(=O)NC 1P01EW86 [1,1,0,0,0,0|2,0,0]=4 1147 B7R0.3 COCCC(=O)NN 1P006Z23 [1,1,0,0,0,0|2,0,0]=4 1148 B7R0.3 COCCC(=O)OC 1P003S9I [1,1,0,0,0,0|1,0,0]=3 1149 B7R0.3 COCC\C(=N/O)\N 1P00FGG1 [1,1,0,0,0,0|2,0,0]=4 1150 B7R0.3 COCNC(=O)OC 1P007I6E [1,1,0,0,0,0|2,0,0]=4 1151 B7R0.3 CSCCC(=N)OC 1P027XZL [1,1,0,0,0,0|2,0,0]=4 1152 B7R0.3 CSCCC(=O)NC 1P028IDE [1,1,0,0,0,0|2,0,0]=4 1153 B7R0.3 CSCCC(=O)OC 1P003S6K [1,1,0,0,0,0|1,0,0]=3 1154 B7R0.3 ClCC(=O)CCC=C 1P005QNE [1,1,0,0,0,0|1,0,0]=3 1155 B7R0.3 ClCC(=O)NCC=C 1P0011HW [1,1,0,0,0,0|2,0,0]=4 1156 B7R0.3 ClCC(=O)OCC=C 1P002XZO [1,1,0,0,0,0|2,0,0]=4 1157 B7R0.3 ClCCCC(=O)CC 1P01AC2E [1,1,0,0,0,0|1,0,1]=4 1158 B7R0.3 ClCCCC(=O)CCl 1P005KNM [1,1,0,0,0,0|1,0,1]=4 1159 B7R0.3 ICC(=O)OCC=C 1P01J5G6 [1,1,0,0,0,0|2,0,0]=4 1160 B7R0.3 ICCCC(=O)CC 1P0292M5 [1,1,0,0,0,0|1,0,1]=4 1161 B7R0.3 NCC(=O)NCC=C 1P01A5GU [1,1,0,0,0,0|2,0,0]=4 1162 B7R0.3 NCC(=O)OCC=C 1P020L68 [1,1,0,0,0,0|2,0,0]=4 1163 B7R0.3 NCCCC(=O)NO 1P0282A5 [1,1,0,0,0,0|1,0,1]=4 1164 B7R0.3 NNC(=O)CCCO 1P003M01 [1,1,0,0,0,0|1,0,1]=4 1165 B7R0.3 NOCCC(=O)OC 1P028O5H [1,1,0,0,0,0|2,0,0]=4 1166 B7R0.3 OCC(=O)NCC=C 1P01B8FI [1,1,0,0,0,0|1,0,1]=4 1167 B7R0.3 OCCNC(=O)CC 1P0024IT [1,1,0,0,0,0|1,0,1]=4 1168 B7R0.3 OCCNC(=O)CN 1P008OS2 [1,1,0,0,0,0|1,0,1]=4 1169 B7R0.3 OCCNC(=O)CO 1P007ESF [1,1,0,0,0,0|1,0,1]=4 1170 B7R0.3 OCCOC(=O)CC 1P002P1Q [1,1,0,0,0,0|1,0,1]=4 1171 B7R0.4 BrCCCCC(=O)C 1P0007J6 [1,1,0,0,0,0|1,0,1]=4 1172 B7R0.4 BrCCCCC(=O)Cl 1P003N20 [1,1,0,0,0,0|1,0,1]=4 1173 B7R0.4 BrCCCCC(=O)O 1P002J3W [1,1,0,0,0,0|0,0,1]=3 1174 B7R0.4 BrCCCCC(=O)[O-] 1P00ERAQ [1,1,0,0,0,0|0,0,2]=4 1175 B7R0.4 BrCCOCC(=O)O 1P00HD6T [1,1,0,0,0,0|1,0,1]=4 1176 B7R0.4 C#CCCCC(=O)C 1P01BVPS [1,1,0,0,0,0|1,0,1]=4 1177 B7R0.4 C#CCCCC(=O)O 1P0034QU [1,1,0,0,0,0|0,0,2]=4 1178 B7R0.4 C#CCNCC(=O)O 1P01B5L0 [1,1,0,0,0,0|0,0,2]=4 1179 B7R0.4 C#CCOCC(=O)O 1P01FGBM [1,1,0,0,0,0|0,0,2]=4 1180 B7R0.4 C#CCSCC(=O)O 1P019QIE [1,1,0,0,0,0|0,0,2]=4 1181 B7R0.4 C=CCCCC(=O)O 1P001Q42 [1,1,0,0,0,0|0,0,1]=3 1182 B7R0.4 C=CCNCC(=O)O 1P00C070 [1,1,0,0,0,0|0,0,1]=3 1183 B7R0.4 C=CCOCC(=O)O 1P00OS4H [1,1,0,0,0,0|0,0,1]=3 1184 B7R0.4 C=CCSCC(=O)O 1P002AX8 [1,1,0,0,0,0|0,0,1]=3 1185 B7R0.4 CC#CCCC(=O)O 1P00CIJW [1,1,0,0,0,0|0,0,1]=3 1186 B7R0.4 CC(=O)CCN=C=S 1P01HRT5 [1,1,0,0,0,0|0,1,1]=4 1187 B7R0.4 CC(=O)NCCC#C 1P01C3FB [1,1,0,0,0,0|1,0,1]=4 1188 B7R0.4 CC(=O)NCCC#N 1P007VIH [1,1,0,0,0,0|1,0,1]=4 1189 B7R0.4 CC(=O)NCCCBr 1P019XXZ [1,1,0,0,0,0|1,0,1]=4 1190 B7R0.4 CC(=O)NCCCCl 1P001DGW [1,1,0,0,0,0|1,0,1]=4 1191 B7R0.4 CC(=O)NCCCN 1P00CJ9K [1,1,0,0,0,0|1,0,1]=4 1192 B7R0.4 CC(=O)NCCCN 1P00DL1J [1,1,0,0,0,0|1,0,1]=4 1193 B7R0.4 CC(=O)NCCCO 1P009RY1 [1,1,0,0,0,0|0,0,1]=3 1194 B7R0.4 CC(=O)OCCC=C 1P001Q0I [1,1,0,0,0,0|1,0,0]=3 1195 B7R0.4 CC(=O)OCCCCl 1P003JS4 [1,1,0,0,0,0|1,0,1]=4 1196 B7R0.4 CC(=O)OCCCI 1P00EKA4 [1,1,0,0,0,0|1,0,1]=4 1197 B7R0.4 CC(=O)SCCC#N 1P000IRD [1,1,0,0,0,0|1,0,1]=4 1198 B7R0.4 CC(=O)SCCCCl 1P000UI6 [1,1,0,0,0,0|1,0,1]=4 1199 B7R0.4 CC(=O)SCCCO 1P01DU4A [1,1,0,0,0,0|0,0,1]=3 1200 B7R0.4 CCC#CCC(=O)O 1P00269H [1,1,0,0,0,0|0,0,2]=4 1201 B7R0.4 CCCC#CC(=O)O 1P003HTY [1,1,0,0,0,0|0,0,2]=4 1202 B7R0.4 CCCCCC(=O)C 1P0033SO [1,1,0,0,0,0|1,0,1]=4 1203 B7R0.4 CCCCCC(=O)Cl 1P003RDM [1,1,0,0,0,0|1,0,1]=4 1204 B7R0.4 CCCCCC(=O)N 1P003RDF [1,1,0,0,0,0|1,0,1]=4 1205 B7R0.4 CCCCCC(=O)O 1P0035GM [1,1,0,0,0,0|0,0,1]=3 1206 B7R0.4 CCCCCC(=O)[O-] 1P0002NZ [1,1,0,0,0,0|0,0,2]=4 1207 B7R0.4 CCCCNC(=O)C 1P007VII [1,1,0,0,0,0|1,0,1]=4 1208 B7R0.4 CCCCNC(=O)Cl 1P00D7IO [1,1,0,0,0,0|1,0,1]=4 1209 B7R0.4 CCCCNC(=O)N 1P0035TZ [1,1,0,0,0,0|1,0,1]=4 1210 B7R0.4 CCCCOC(=O)C 1P000KEE [1,1,0,0,0,0|1,0,1]=4 1211 B7R0.4 CCCCOC(=O)N 1P003TBD [1,1,0,0,0,0|1,0,1]=4 1212 B7R0.4 CCCCSC(=O)C 1P003UQS [1,1,0,0,0,0|1,0,1]=4 1213 B7R0.4 CCCCSC(=O)Cl 1P001A84 [1,1,0,0,0,0|1,0,1]=4 1214 B7R0.4 CCCNCC(=O)N 1P01AM1O [1,1,0,0,0,0|1,0,1]=4 1215 B7R0.4 CCCNCC(=O)O 1P019WR9 [1,1,0,0,0,0|0,0,1]=3 1216 B7R0.4 CCCOCC(=O)O 1P00DDPU [1,1,0,0,0,0|0,0,1]=3 1217 B7R0.4 CCCSCC(=O)C 1P01CANS [1,1,0,0,0,0|1,0,1]=4 1218 B7R0.4 CCCSCC(=O)O 1P002AXA [1,1,0,0,0,0|0,0,1]=3 1219 B7R0.4 CCC\C=C\C(=O)O 1P00HTPU [1,1,0,0,0,0|0,0,2]=4 1220 B7R0.4 CCNCCC(=O)N 1P003IOR [1,1,0,0,0,0|1,0,1]=4 1221 B7R0.4 CCNCCC(=O)O 1P019WSK [1,1,0,0,0,0|0,0,1]=3 1222 B7R0.4 CCOCCC(=O)O 1P003JUP [1,1,0,0,0,0|0,0,1]=3 1223 B7R0.4 CCSCCC(=O)Cl 1P0286NR [1,1,0,0,0,0|1,0,1]=4 1224 B7R0.4 CCSCCC(=O)O 1P00FDIY [1,1,0,0,0,0|0,0,1]=3 1225 B7R0.4 CC\C=C/CC(=O)O 1P0025TN [1,1,0,0,0,0|0,0,1]=3 1226 B7R0.4 CC\C=C\CC(=O)O 1P001Q45 [1,1,0,0,0,0|0,0,1]=3 1227 B7R0.4 CNCC#CC(=O)O 1P01DRX9 [1,1,0,0,0,0|1,0,1]=4 1228 B7R0.4 CNCCCC(=O)O 1P0034AB [1,1,0,0,0,0|0,0,1]=3 1229 B7R0.4 CNCCCC(=O)O 1P007DUH [1,1,0,0,0,0|0,0,1]=3 1230 B7R0.4 CNCCNC(=O)C 1P01A2SE [1,1,0,0,0,0|2,0,0]=4 1231 B7R0.4 CNCCNC(=O)C 1P01AF4E [1,1,0,0,0,0|2,0,0]=4 1232 B7R0.4 CNC\C=C\C(=O)O 1P027WD3 [1,1,0,0,0,0|1,0,1]=4 1233 B7R0.4 COCC#CC(=O)O 1P006X1E [1,1,0,0,0,0|1,0,1]=4 1234 B7R0.4 COCC=CC(=O)O 1P01DNM5 [1,1,0,0,0,0|1,0,1]=4 1235 B7R0.4 COCCCC(=O)C 1P00B6HE [1,1,0,0,0,0|0,0,1]=3 1236 B7R0.4 COCCCC(=O)N 1P027LNZ [1,1,0,0,0,0|1,0,1]=4 1237 B7R0.4 COCCCC(=O)O 1P002VN5 [1,1,0,0,0,0|0,0,1]=3 1238 B7R0.4 COCCNC(=O)N 1P00C2MD [1,1,0,0,0,0|2,0,0]=4 1239 B7R0.4 COCCOC(=O)Cl 1P003I0T [1,1,0,0,0,0|2,0,0]=4 1240 B7R0.4 COC\C=C\C(=O)O 1P00EFQT [1,1,0,0,0,0|1,0,1]=4 1241 B7R0.4 CSCC=CC(=O)O 1P028A6U [1,1,0,0,0,0|1,0,1]=4 1242 B7R0.4 CSCCCC(=O)Cl 1P0286K0 [1,1,0,0,0,0|1,0,1]=4 1243 B7R0.4 CSCCCC(=O)N 1P028VPN [1,1,0,0,0,0|1,0,1]=4 1244 B7R0.4 CSCCCC(=O)O 1P00MDZI [1,1,0,0,0,0|0,0,1]=3 1245 B7R0.4 CSCCNC(=O)N 1P005LMJ [1,1,0,0,0,0|2,0,0]=4 1246 B7R0.4 CSSCCC(=O)O 1P0018IF [1,1,0,0,0,0|1,0,0]=3 1247 B7R0.4 C\C=C/C=C/C(=O)O 1P0030BP [1,1,0,0,0,0|0,0,2]=4 1248 B7R0.4 C\C=C\C=C\C(=O)O 1P003UVD [1,1,0,0,0,0|0,0,2]=4 1249 B7R0.4 C\C=C\COC(=O)C 1P005DY1 [1,1,0,0,0,0|1,0,1]=4 1250 B7R0.4 ClC(=O)OCCC=C 1P0089H9 [1,1,0,0,0,0|1,0,1]=4 1251 B7R0.4 ClCCCCC(=O)C 1P0007J5 [1,1,0,0,0,0|1,0,1]=4 1252 B7R0.4 ClCCCCC(=O)Cl 1P001PXW [1,1,0,0,0,0|1,0,1]=4 1253 B7R0.4 ClCCCCC(=O)N 1P019Y9G [1,1,0,0,0,0|1,0,1]=4 1254 B7R0.4 ClCCCCC(=O)O 1P0034Q2 [1,1,0,0,0,0|0,0,1]=3 1255 B7R0.4 ClCCOCC(=O)O 1P001LKW [1,1,0,0,0,0|1,0,1]=4 1256 B7R0.4 ClCCSCC(=O)O 1P01I29B [1,1,0,0,0,0|1,0,1]=4 1257 B7R0.4 FCCCCC(=O)[O-] 1P02875F [1,1,0,0,0,0|0,0,2]=4 1258 B7R0.4 FCCOCC(=O)O 1P028UIA [1,1,0,0,0,0|1,0,1]=4 1259 B7R0.4 FCCSCC(=O)C 1P01B2Y7 [1,1,0,0,0,0|1,0,1]=4 1260 B7R0.4 ICCCCC(=O)O 1P027L56 [1,1,0,0,0,0|0,0,1]=3 1261 B7R0.4 N#CCCCC(=O)O 1P0076GP [1,1,0,0,0,0|0,0,2]=4 1262 B7R0.4 N#CCSCC(=O)O 1P00DEFL [1,1,0,0,0,0|1,0,1]=4 1263 B7R0.4 NC(=O)NCCCO 1P01AJ40 [1,1,0,0,0,0|1,0,1]=4 1264 B7R0.4 NCCCCC(=O)N 1P01A4SH [1,1,0,0,0,0|1,0,1]=4 1265 B7R0.4 NCCCCC(=O)O 1P00390H [1,1,0,0,0,0|0,0,1]=3 1266 B7R0.4 NCCCCC(=O)O 1P003MVH [1,1,0,0,0,0|0,0,1]=3 1267 B7R0.4 NCCCCC(=O)O 1P00HZV1 [1,1,0,0,0,0|0,0,1]=3 1268 B7R0.4 NCCCCC(=O)O 1P01FNTV [1,1,0,0,0,0|0,0,1]=3 1269 B7R0.4 NCCNCC(=O)O 1P003SPC [1,1,0,0,0,0|1,0,1]=4 1270 B7R0.4 NCCNCC(=O)O 1P01DWQH [1,1,0,0,0,0|1,0,1]=4 1271 B7R0.4 NCCOCC(=O)O 1P01A76U [1,1,0,0,0,0|1,0,1]=4 1272 B7R0.4 NCCSCC(=O)O 1P00VUW5 [1,1,0,0,0,0|1,0,1]=4 1273 B7R0.4 NOCCCC(=O)O 1P0032I9 [1,1,0,0,0,0|0,0,2]=4 1274 B7R0.4 O=C(N)CCNCC 1P01KEQK [1,1,0,0,0,0|1,0,1]=4 1275 B7R0.4 O=CCCC=C(C)C 1P008QPA [1,1,0,0,0,0|1,0,0]=3 1276 B7R0.4 O=CCCCC(=C)C 1P024PL7 [1,1,0,0,0,0|1,0,0]=3 1277 B7R0.4 O=CCCCC(=O)O 1P00EKL9 [1,1,0,0,0,0|0,0,0]=2 1278 B7R0.4 OC(=O)CC=CCS 1P019UIY [1,1,0,0,0,0|0,0,1]=3 1279 B7R0.4 OC(=O)CC\C=C\Br 1P00491G [1,1,0,0,0,0|0,0,1]=3 1280 B7R0.4 OC(=O)C\C=C\C=C 1P01BSMX [1,1,0,0,0,0|0,0,2]=4 1281 B7R0.4 OCCCCC(=O)C 1P00BGAI [1,1,0,0,0,0|0,0,1]=3 1282 B7R0.4 OCCCCC(=O)N 1P002ZKN [1,1,0,0,0,0|1,0,1]=4 1283 B7R0.4 OCCCCC(=O)[O-] 1P003ALZ [1,1,0,0,0,0|0,0,2]=4 1284 B7R0.4 OCCCCC(=O)[O-] 1P01AA46 [1,1,0,0,0,0|0,0,2]=4 1285 B7R0.4 OCCNCC(=O)O 1P00EFJ5 [1,1,0,0,0,0|0,0,2]=4 1286 B7R0.4 OCCOCC(=O)N 1P000KEF [1,1,0,0,0,0|1,0,1]=4 1287 B7R0.4 OCCOCC(=O)O 1P0080QG [1,1,0,0,0,0|0,0,2]=4 1288 B7R0.4 OCCOCC(=O)[O-] 1P001I37 [1,1,0,0,0,0|1,0,1]=4 1289 B7R0.4 SCCCCC(=O)O 1P002ZTK [1,1,0,0,0,0|0,0,1]=3 1290 B7R0.4 [N-]=[N+]=NCCC(=O)C 1P01AUWU [1,1,0,0,0,0|2,0,0]=4 1291 B7R0.4 [N-]=[N+]=NCCC(=O)O 1P007U2C [1,1,0,0,0,0|2,0,0]=4 1292 B7R0.5 CC(=O)C(CCBr)Br 1P01DX0N [1,1,0,0,0,0|1,0,1]=4 1293 B7R0.5 CC(=O)C(CCBr)F 1P00ELFB [1,1,0,0,0,0|1,0,1]=4 1294 B7R0.5 CC(=O)C(CCCl)Cl 1P00EM1D [1,1,0,0,0,0|1,0,1]=4 1295 B7R0.5 CC(=O)C(CCO)Cl 1P000UWG [1,1,0,0,0,0|0,0,1]=3 1296 B7R0.5 CC(C(=O)C)CC=C 1P01AAP2 [1,1,0,0,0,0|1,0,0]=3 1297 B7R0.5 CC(C(=O)C)CCCl 1P007Q7I [1,1,0,0,0,0|1,0,1]=4 1298 B7R0.5 CC(C(=O)Cl)CCC 1P003I7K [1,1,0,0,0,0|1,0,1]=4 1299 B7R0.5 CC(C(=O)N)CCC 1P00607Q [1,1,0,0,0,0|1,0,1]=4 1300 B7R0.5 CC(C(=O)N)CCO 1P0077PI [1,1,0,0,0,0|1,0,1]=4 1301 B7R0.5 CC(C(=O)O)CC#C 1P008PN0 [1,1,0,0,0,0|0,0,2]=4 1302 B7R0.5 CC(C(=O)O)CC#N 1P01BGKK [1,1,0,0,0,0|1,0,1]=4 1303 B7R0.5 CC(C(=O)O)CC=C 1P001PYS [1,1,0,0,0,0|0,0,1]=3 1304 B7R0.5 CC(C(=O)O)CCC 1P0033V6 [1,1,0,0,0,0|0,0,1]=3 1305 B7R0.5 CC(C(=O)O)CCN 1P007QFU [1,1,0,0,0,0|1,0,1]=4 1306 B7R0.5 CC(C(=O)O)CNC 1P00J2Y9 [1,1,0,0,0,0|1,0,0]=3 1307 B7R0.5 CC(C(=O)O)COC 1P007XM3 [1,1,0,0,0,0|1,0,0]=3 1308 B7R0.5 CC(C(=O)O)CSC 1P00EFBG [1,1,0,0,0,0|1,0,0]=3 1309 B7R0.5 CC(C(=O)O)NCC 1P01DZ09 [1,1,0,0,0,0|1,0,1]=4 1310 B7R0.5 CC(C(=O)O)OCC 1P00I9Y6 [1,1,0,0,0,0|1,0,1]=4 1311 B7R0.5 CC(C(=O)O)SCC 1P002A2O [1,1,0,0,0,0|1,0,1]=4 1312 B7R0.5 CCCC(=C)C(=O)O 1P00EIR9 [1,1,0,0,0,0|0,0,2]=4 1313 B7R0.5 CCCC(=O)C(=O)O 1P0023U2 [1,1,0,0,0,0|0,0,2]=4 1314 B7R0.5 CCCC(C(=O)C)Br 1P002ZAM [1,1,0,0,0,0|1,0,1]=4 1315 B7R0.5 CCCC(C(=O)N)Br 1P02852A [1,1,0,0,0,0|1,0,1]=4 1316 B7R0.5 CCCC(C(=O)N)N 1P01B51A [1,1,0,0,0,0|1,0,1]=4 1317 B7R0.5 CCCC(C(=O)O)Br 1P003H9U [1,1,0,0,0,0|0,0,1]=3 1318 B7R0.5 CCCC(C(=O)O)F 1P00B18T [1,1,0,0,0,0|0,0,1]=3 1319 B7R0.5 CCCC(C(=O)O)N 1P0036YR [1,1,0,0,0,0|0,0,1]=3 1320 B7R0.5 CCCC(C(=O)O)O 1P00EBYM [1,1,0,0,0,0|0,0,1]=3 1321 B7R0.5 CCCC(C(=O)O)S 1P00KF9S [1,1,0,0,0,0|0,0,1]=3 1322 B7R0.5 CCC[C@@H](C(=O)N)N 1P0006EZ [1,1,0,0,0,0|1,0,1]=4 1323 B7R0.5 CCC[C@@H](C(=O)O)Br 1P00C8EN [1,1,0,0,0,0|0,0,1]=3 1324 B7R0.5 CCC[C@@H](C(=O)O)N 1P003RTO [1,1,0,0,0,0|0,0,1]=3 1325 B7R0.5 CCC[C@@H](C(=O)O)O 1P00C8CR [1,1,0,0,0,0|0,0,1]=3 1326 B7R0.5 CCC[C@H](C(=O)O)Br 1P01HPLB [1,1,0,0,0,0|0,0,1]=3 1327 B7R0.5 CCC[C@H](C(=O)O)N 1P002DST [1,1,0,0,0,0|0,0,1]=3 1328 B7R0.5 CCC[C@H](C(=O)O)O 1P00CDG2 [1,1,0,0,0,0|0,0,1]=3 1329 B7R0.5 CN(C(=O)C)CC=C 1P01BG7T [1,1,0,0,0,0|2,0,0]=4 1330 B7R0.5 CN(C(=O)C)CCO 1P001OKA [1,1,0,0,0,0|1,0,1]=4 1331 B7R0.5 CNC[C@@H](C(=O)O)N 1P001S54 [1,1,0,0,0,0|1,0,0]=3 1332 B7R0.5 CNC[C@@H](C(=O)O)N 1P0290I6 [1,1,0,0,0,0|1,0,0]=3 1333 B7R0.5 COCC(=C)C(=O)O 1P01BF18 [1,1,0,0,0,0|1,0,1]=4 1334 B7R0.5 COCC(C(=O)C)C 1P00AXOM [1,1,0,0,0,0|2,0,0]=4 1335 B7R0.5 COCC(C(=O)N)N 1P01A3LI [1,1,0,0,0,0|2,0,0]=4 1336 B7R0.5 COCC(C(=O)O)Br 1P00ED9O [1,1,0,0,0,0|1,0,0]=3 1337 B7R0.5 COCC(C(=O)O)Cl 1P003BNM [1,1,0,0,0,0|1,0,0]=3 1338 B7R0.5 COCC(C(=O)O)N 1P00I6NY [1,1,0,0,0,0|1,0,0]=3 1339 B7R0.5 COCC(C(=O)O)N 1P01A5C9 [1,1,0,0,0,0|1,0,0]=3 1340 B7R0.5 COC[C@@H](C(=O)O)N 1P002BNL [1,1,0,0,0,0|1,0,0]=3 1341 B7R0.5 COC[C@@H](C(=O)O)N 1P0037T9 [1,1,0,0,0,0|1,0,0]=3 1342 B7R0.5 COC[C@H](C(=O)O)N 1P0032VH [1,1,0,0,0,0|1,0,0]=3 1343 B7R0.5 COC[C@H](C(=O)O)N 1P004LJ9 [1,1,0,0,0,0|1,0,0]=3 1344 B7R0.5 CSCC(C(=O)O)O 1P001OTX [1,1,0,0,0,0|1,0,0]=3 1345 B7R0.5 CSC[C@@H](C(=O)O)N 1P003UQQ [1,1,0,0,0,0|1,0,0]=3 1346 B7R0.5 C[C@@H](C(=O)O)CC#C 1P028WDU [1,1,0,0,0,0|0,0,2]=4 1347 B7R0.5 C[C@@H](C(=O)O)CC=C 1P01GUL6 [1,1,0,0,0,0|0,0,1]=3 1348 B7R0.5 C[C@@H](C(=O)O)COC 1P027VIC [1,1,0,0,0,0|1,0,0]=3 1349 B7R0.5 C[C@@H](C(=O)O)NCC 1P00ENDL [1,1,0,0,0,0|1,0,1]=4 1350 B7R0.5 C[C@H](C(=O)O)CC#C 1P028ZLH [1,1,0,0,0,0|0,0,2]=4 1351 B7R0.5 C[C@H](C(=O)O)COC 1P01AG1F [1,1,0,0,0,0|1,0,0]=3 1352 B7R0.5 C[C@H](C(=O)O)NCC 1P01J7GU [1,1,0,0,0,0|1,0,1]=4 1353 B7R0.5 C[Se]C[C@@H](C(=O)O)N 1P002RYO [1,1,0,0,0,0|1,0,0]=3 1354 B7R0.5 NC(=O)C(CCO)O 1P0286EP [1,1,0,0,0,0|1,0,1]=4 1355 B7R0.5 NC(C(=O)O)CC#C 1P001YWB [1,1,0,0,0,0|0,0,2]=4 1356 B7R0.5 NC(C(=O)O)CC#C 1P0037TV [1,1,0,0,0,0|0,0,2]=4 1357 B7R0.5 NC(C(=O)O)CC=C 1P00ID8H [1,1,0,0,0,0|0,0,1]=3 1358 B7R0.5 NC(C(=O)O)CCCl 1P028VVG [1,1,0,0,0,0|1,0,1]=4 1359 B7R0.5 NC(C(=O)O)CCF 1P01B2JO [1,1,0,0,0,0|1,0,1]=4 1360 B7R0.5 NC(C(=O)O)CCN 1P0030UF [1,1,0,0,0,0|1,0,1]=4 1361 B7R0.5 NC(C(=O)O)CCS 1P00396E [1,1,0,0,0,0|0,1,1]=4 1362 B7R0.5 NCCC(C(=O)O)F 1P002TO1 [1,1,0,0,0,0|1,0,1]=4 1363 B7R0.5 NCCC(C(=O)O)N 1P003598 [1,1,0,0,0,0|1,0,1]=4 1364 B7R0.5 NCCC(C(=O)O)O 1P0039EQ [1,1,0,0,0,0|1,0,1]=4 1365 B7R0.5 NCC[C@@H](C(=O)O)N 1P002H9V [1,1,0,0,0,0|1,0,1]=4 1366 B7R0.5 NCC[C@@H](C(=O)O)O 1P003CUM [1,1,0,0,0,0|1,0,1]=4 1367 B7R0.5 NCC[C@H](C(=O)O)N 1P000XM3 [1,1,0,0,0,0|1,0,1]=4 1368 B7R0.5 NCC[C@H](C(=O)O)O 1P000EBP [1,1,0,0,0,0|1,0,1]=4 1369 B7R0.5 N[C@@H](C(=O)O)CC#C 1P002N2N [1,1,0,0,0,0|0,0,2]=4 1370 B7R0.5 N[C@@H](C(=O)O)CC#C 1P00GROI [1,1,0,0,0,0|0,0,2]=4 1371 B7R0.5 N[C@@H](C(=O)O)CC=C 1P003POY [1,1,0,0,0,0|0,0,1]=3 1372 B7R0.5 N[C@@H](C(=O)O)CC=C 1P007D56 [1,1,0,0,0,0|0,0,1]=3 1373 B7R0.5 N[C@@H](C(=O)O)CCN 1P007MVB [1,1,0,0,0,0|1,0,1]=4 1374 B7R0.5 N[C@@H](C(=O)O)CCS 1P00ECTR [1,1,0,0,0,0|0,1,1]=4 1375 B7R0.5 N[C@H](C(=O)O)CC#C 1P002C6G [1,1,0,0,0,0|0,0,2]=4 1376 B7R0.5 N[C@H](C(=O)O)CC#C 1P002N2O [1,1,0,0,0,0|0,0,2]=4 1377 B7R0.5 N[C@H](C(=O)O)CC=C 1P001UJ3 [1,1,0,0,0,0|0,0,1]=3 1378 B7R0.5 N[C@H](C(=O)O)CC=C 1P003CU8 [1,1,0,0,0,0|0,0,1]=3 1379 B7R0.5 N[C@H](C(=O)O)CCBr 1P003CX0 [1,1,0,0,0,0|1,0,1]=4 1380 B7R0.5 N[C@H](C(=O)O)CCN 1P0021O4 [1,1,0,0,0,0|1,0,1]=4 1381 B7R0.5 N[C@H](C(=O)O)CCN 1P005GDQ [1,1,0,0,0,0|1,0,1]=4 1382 B7R0.5 N[C@H](C(=O)O)CCN 1P00AKKB [1,1,0,0,0,0|1,0,1]=4 1383 B7R0.5 N[C@H](C(=O)O)CCS 1P0037WB [1,1,0,0,0,0|0,1,1]=4 1384 B7R0.5 O=CNC(C(=O)O)C 1P003THZ [1,1,0,0,0,0|1,0,0]=3 1385 B7R0.5 O=CN[C@H](C(=O)O)C 1P003TI4 [1,1,0,0,0,0|1,0,0]=3 1386 B7R0.5 OC(=O)C(=C)CC=C 1P028JZR [1,1,0,0,0,0|0,0,2]=4 1387 B7R0.5 OC(=O)C(CC=C)Cl 1P01BIF8 [1,1,0,0,0,0|0,0,1]=3 1388 B7R0.5 OC(=O)C(CCBr)Br 1P00IBMF [1,1,0,0,0,0|1,0,1]=4 1389 B7R0.5 OC(=O)C(CCF)Br 1P0291J0 [1,1,0,0,0,0|1,0,1]=4 1390 B7R0.5 OC(C(=O)O)CC#C 1P01BEDA [1,1,0,0,0,0|0,0,2]=4 1391 B7R0.5 OCC[C@@H](C(=O)O)N 1P002GON [1,1,0,0,0,0|0,0,2]=4 1392 B7R0.5 OCC[C@H](C(=O)O)N 1P00355P [1,1,0,0,0,0|0,0,2]=4 1393 B7R0.5 [O-]C(=O)C(CCO)C 1P01EMT0 [1,1,0,0,0,0|1,0,1]=4 1394 B7R0.5 [O-]C(=O)C(COC)O 1P0285SZ [1,1,0,0,0,0|1,0,1]=4 1395 B7R0.8 C=CCCS(=O)(=N)C 1P01FIGB [1,1,0,0,0,0|2,0,0]=4 1396 B7R0.8 CCCCP(=O)(O)O 1P003EMI [1,1,0,0,0,0|1,0,1]=4 1397 B7R0.8 CNCCS(=O)(=O)O 1P0038GV [1,1,0,0,0,0|2,0,0]=4 1398 B7R0.8 CNCCS(=O)(=O)O 1P028GJ2 [1,1,0,0,0,0|2,0,0]=4 1399 B7R0.8 O=CCCC(C)(C)C 1P01BEEG [1,1,0,0,0,0|1,0,1]=4 1400 B7R0.8 O=CCCC(F)(F)C 1P01BUOY [1,1,0,0,0,0|1,0,1]=4 1401 B7R0.8 O=CCCS(=O)(=O)C 1P01C0T1 [1,1,0,0,0,0|1,0,0]=3 1402 B7R0.8 OCCCS(=O)(=N)C 1P028M69 [1,1,0,0,0,0|1,0,1]=4 1403 B7R0.8 OCCCS(=O)(=O)C 1P002AUC [1,1,0,0,0,0|1,0,1]=4 1404 B7R0.9 CC(=O)CC(O)(C)C 1P000KDW [0,1,0,0,1,0|1,0,1]=4 1405 B7R0.9 CC(=O)CS(=O)(=O)C 1P003DKB [0,1,0,0,1,0|1,0,1]=4 1406 B7R0.9 CC(=O)CS(=O)(=O)F 1P01DTBY [0,1,0,0,1,0|1,0,1]=4 1407 B7R0.9 OC(=O)CC(Br)(C)C 1P00EPM1 [0,1,0,0,1,0|1,0,1]=4 1408 B7R0.9 OC(=O)CC(C)(C)C 1P003IU4 [0,1,0,0,1,0|1,0,1]=4 1409 B7R0.9 OC(=O)CC(Cl)(C)C 1P027U6R [0,1,0,0,1,0|1,0,1]=4 1410 B7R0.9 OC(=O)CC(F)(C)C 1P01BUPJ [0,1,0,0,1,0|1,0,1]=4 1411 B7R0.9 OC(=O)CC(F)(F)C 1P01AE6R [0,1,0,0,1,0|1,0,1]=4 1412 B7R0.9 OC(=O)CC(N)(C)C 1P0037NO [0,1,0,0,1,0|1,0,1]=4 1413 B7R0.9 OC(=O)CC(N)(C)C 1P003JBN [0,1,0,0,1,0|1,0,1]=4 1414 B7R0.9 OC(=O)CC(N)(C)C 1P01AGEV [0,1,0,0,1,0|1,0,1]=4 1415 B7R0.9 OC(=O)CC(O)(C)C 1P0039UT [0,1,0,0,1,0|0,0,2]=4 1416 B7R0.9 OC(=O)CC(S)(C)C 1P00392I [0,1,0,0,1,0|0,1,1]=4 1417 B7R0.9 OC(=O)CP(=O)(C)C 1P028MVP [0,1,0,0,1,0|1,0,0]=3 1418 B7R0.9 OC(=O)CP(=O)(O)O 1P003U7S [0,1,0,0,1,0|2,0,0]=4 1419 B7R0.9 OC(=O)CS(=O)(=O)C 1P002R5P [0,1,0,0,1,0|1,0,0]=3 1420 B7R0.9 OC(=O)CS(=O)(=O)N 1P019M26 [0,1,0,0,1,0|2,0,0]=4 1421 B7R0.9 OC(=O)C[N+](C)(C)C 1P00IAY4 [0,1,0,0,1,0|2,0,0]=4 1422 B7R0.9 OC(=O)C[Si](C)(C)C 1P002NQR [0,1,0,0,1,0|1,1,0]=4 1423 B7R0.16 BrC(C(=O)O)C(C)C 1P0036DQ [0,1,0,0,1,0|1,0,1]=4 1424 B7R0.16 Br[C@@H](C(=O)O)C(C)C 1P00G3NN [0,1,0,0,1,0|1,0,1]=4 1425 B7R0.16 Br[C@H](C(=O)O)C(C)C 1P003CVL [0,1,0,0,1,0|1,0,1]=4 1426 B7R0.16 CC(=C(C(=O)O)Br)C 1P001Q6W [0,1,0,0,1,0|1,0,1]=4 1427 B7R0.16 CC(=C(C(=O)O)C)C 1P019YZ2 [0,1,0,0,1,0|1,0,1]=4 1428 B7R0.16 CC(=C(C(=O)O)Cl)C 1P01QZ77 [0,1,0,0,1,0|1,0,1]=4 1429 B7R0.16 CC(=C(C(=O)O)F)C 1P01A0CN [0,1,0,0,1,0|1,0,1]=4 1430 B7R0.16 CC(C(=O)C)C(=O)C 1P003K5P [0,1,0,0,1,0|1,0,0]=3 1431 B7R0.16 CC(C(=O)N)C(=O)N 1P003I6E [0,1,0,0,1,0|2,0,0]=4 1432 B7R0.16 CC(C(=O)O)C(=O)O 1P003SKU [0,1,0,0,1,0|1,0,0]=3 1433 B7R0.16 CC(C(=O)O)C(C)C 1P007ZPC [0,1,0,0,1,0|1,0,1]=4 1434 B7R0.16 CC(C(=O)O)C(N)C 1P01AV78 [0,1,0,0,1,0|1,0,1]=4 1435 B7R0.16 CC(C(=O)O)N(C)C 1P00ADBV [0,1,0,0,1,0|2,0,0]=4 1436 B7R0.16 CC(C(=O)[O-])C(=O)[O-] 1P00E37J [0,1,0,0,1,0|1,0,1]=4 1437 B7R0.16 CC(C(=O)[O-])C(=O)[O-] 1P01XCPB [0,1,0,0,1,0|1,0,1]=4 1438 B7R0.16 CC(C(C(=O)O)C)O 1P00DDYP [0,1,0,0,1,0|0,0,2]=4 1439 B7R0.16 CC(C(C(=O)O)F)O 1P01BGEK [0,1,0,0,1,0|0,0,2]=4 1440 B7R0.16 CC(C(C(=O)O)N)O 1P01DL1Y [0,1,0,0,1,0|0,0,2]=4 1441 B7R0.16 CC(C(C(=O)O)O)N 1P028U2M [0,1,0,0,1,0|1,0,1]=4 1442 B7R0.16 CN(C(=O)C)C(=O)C 1P003TO0 [0,1,0,0,1,0|2,0,0]=4 1443 B7R0.16 CN(C(=O)Cl)C(=O)C 1P01ENAP [0,1,0,0,1,0|2,0,0]=4 1444 B7R0.16 CP(=O)C(C(=O)O)O 1P006ECW [0,1,0,0,1,0|1,0,0]=3 1445 B7R0.16 C[C@@H](C(=O)O)C(C)C 1P002VES [0,1,0,0,1,0|1,0,1]=4 1446 B7R0.16 C[C@@H](C(=O)O)N(C)C 1P001XKS [0,1,0,0,1,0|2,0,0]=4 1447 B7R0.16 C[C@@H](C(=O)O)N(C)C 1P00BHJU [0,1,0,0,1,0|2,0,0]=4 1448 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O 1P001J7L [0,1,0,0,1,0|0,0,2]=4 1449 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O 1P00IBMP [0,1,0,0,1,0|0,0,2]=4 1450 B7R0.16 C[C@@H]([C@H](C(=O)O)O)N 1P003B1L [0,1,0,0,1,0|1,0,1]=4 1451 B7R0.16 C[C@H](C(=O)O)C(C)C 1P001N9S [0,1,0,0,1,0|1,0,1]=4 1452 B7R0.16 C[C@H](C(=O)O)N(C)C 1P001PX5 [0,1,0,0,1,0|2,0,0]=4 1453 B7R0.16 C[C@H](C(=O)O)N(C)C 1P00J3DF [0,1,0,0,1,0|2,0,0]=4 1454 B7R0.16 C[C@H]([C@@H](C(=O)O)N)Br 1P028AO9 [0,1,0,0,1,0|1,0,1]=4 1455 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O 1P00359M [0,1,0,0,1,0|0,0,2]=4 1456 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O 1P00IB51 [0,1,0,0,1,0|0,0,2]=4 1457 B7R0.16 C[C@H]([C@H](C(=O)O)N)F 1P01BVN1 [0,1,0,0,1,0|1,0,1]=4 1458 B7R0.16 C[C@H]([C@H](C(=O)O)N)O 1P002Q2X [0,1,0,0,1,0|0,0,2]=4 1459 B7R0.16 ClC(C(=O)C)C(=O)C 1P003442 [0,1,0,0,1,0|1,0,0]=3 1460 B7R0.16 ClC(C(=O)O)C(C)C 1P019W9W [0,1,0,0,1,0|1,0,1]=4 1461 B7R0.16 Cl[C@H](C(=O)O)C(C)C 1P003D1T [0,1,0,0,1,0|1,0,1]=4 1462 B7R0.16 FC(C(=O)O)C(=O)O 1P00717X [0,1,0,0,1,0|1,0,0]=3 1463 B7R0.16 FC(C(=O)O)C(C)C 1P001Q6L [0,1,0,0,1,0|1,0,1]=4 1464 B7R0.16 NC(C(=O)C)C(=O)C 1P01A8FL [0,1,0,0,1,0|1,0,0]=3 1465 B7R0.16 NC(C(=O)N)C(=O)N 1P00ECTD [0,1,0,0,1,0|2,0,0]=4 1466 B7R0.16 NC(C(=O)O)C(=O)O 1P0083BN [0,1,0,0,1,0|1,0,0]=3 1467 B7R0.16 NC(C(=O)O)C(C)C 1P0035KT [0,1,0,0,1,0|1,0,1]=4 1468 B7R0.16 N[C@@H](C(=O)O)C(C)C 1P0037JS [0,1,0,0,1,0|1,0,1]=4 1469 B7R0.16 N[C@H](C(=O)O)C(C)C 1P00I9OW [0,1,0,0,1,0|1,0,1]=4 1470 B7R0.16 N[C@H](C(=O)O)[C@@H](N)C 1P028L4U [0,1,0,0,1,0|1,0,1]=4 1471 B7R0.16 N[C@H](C(=O)O)[C@H](N)C 1P00C212 [0,1,0,0,1,0|1,0,1]=4 1472 B7R0.16 OC(C(=O)O)C(=O)O 1P003HWB [0,1,0,0,1,0|1,0,0]=3 1473 B7R0.16 OC(C(=O)O)C(C)C 1P003HUP [0,1,0,0,1,0|1,0,1]=4 1474 B7R0.16 O[C@@H](C(=O)O)C(C)C 1P001ZWR [0,1,0,0,1,0|1,0,1]=4 1475 B7R0.16 O[C@H](C(=O)O)C(C)C 1P007V6T [0,1,0,0,1,0|1,0,1]=4 1476 B7R0.16 SC(C(=O)O)C(C)C 1P0019CW [0,1,0,0,1,0|1,0,1]=4 1477 B7R0.16 [15NH2][13C@H]([13C](=O)O)[13CH]([13CH3])[13CH3] 1P00C25L [0,1,0,0,1,0|1,0,1]=4 1478 B9R0.1 CCC(=O)OCOC(=O)Cl 1P01BUM3 [0,1,0,0,0,1|2,0,0]=4 1479 B9R0.1 CCC(CCCC(=O)O)C 1P007TWS [0,1,0,0,0,1|1,0,1]=4 1480 B9R0.1 CNC(=O)CCCC(=O)[O-] 1P01A5ZQ [0,1,0,0,0,1|0,0,1]=3 1481 B9R0.1 CNC(=O)COCC(=O)O 1P01KI8J [0,1,0,0,0,1|0,0,0]=2 1482 B9R0.1 CNC(=O)NCCC(=O)O 1P01AAEE [0,1,0,0,0,1|0,0,0]=2 1483 B9R0.1 COC(=O)CCCC(=C)C 1P00CL9U [0,1,0,0,0,1|1,0,0]=3 1484 B9R0.1 COC(=O)CCCC(=O)C 1P009DOV [0,1,0,0,0,1|0,0,0]=2 1485 B9R0.1 COC(=O)CCCC(=O)Cl 1P003R8I [0,1,0,0,0,1|1,0,0]=3 1486 B9R0.1 COC(=O)CCCC(=O)[O-] 1P001MSQ [0,1,0,0,0,1|0,0,1]=3 1487 B9R0.1 COC(=O)CCCC(=S)N 1P01B92W [0,1,0,0,0,1|1,1,0]=4 1488 B9R0.1 COC(=O)CCCC(Br)C 1P021RUB [0,1,0,0,0,1|1,0,1]=4 1489 B9R0.1 COC(=O)CCCS(=O)C 1P01AHGE [0,1,0,0,0,1|1,0,0]=3 1490 B9R0.1 COC(=O)CCC[N+](=O)[O-] 1P000UIY [0,1,0,0,0,1|1,0,1]=4 1491 B9R0.1 COC(=O)CCNC(=O)N 1P01CAKT [0,1,0,0,0,1|1,0,0]=3 1492 B9R0.1 COC(=O)CCNC(C)C 1P01AI2I [0,1,0,0,0,1|1,0,1]=4 1493 B9R0.1 COC(=O)CNCC(C)C 1P019ZYQ [0,1,0,0,0,1|1,0,1]=4 1494 B9R0.1 COC(=O)COCC(=O)C 1P00F5DE [0,1,0,0,0,1|0,0,0]=2 1495 B9R0.1 COC(=O)COCC(=O)O 1P01BA2Y [0,1,0,0,0,1|0,0,0]=2 1496 B9R0.1 COC(=O)CSCC(=O)O 1P01A7GI [0,1,0,0,0,1|0,0,0]=2 1497 B9R0.1 COC(=O)NCCC(=O)O 1P01ABX5 [0,1,0,0,0,1|0,0,0]=2 1498 B9R0.1 COC(=O)NOCC(=O)N 1P028CP6 [0,1,0,0,0,1|2,0,0]=4 1499 B9R0.1 COC(CCOC(=O)C)C 1P00I8VE [0,1,0,0,0,1|1,0,1]=4 1500 B9R0.1 ClCC(=O)CCSC(=O)C 1P01BACH [0,1,0,0,0,1|1,0,0]=3 1501 B9R0.1 NCC(=O)CCCC(=O)O 1P01EI7Y [0,1,0,0,0,1|0,0,0]=2 1502 B9R0.1 NNC(=O)CCCC(=O)O 1P027UB5 [0,1,0,0,0,1|1,0,0]=3 1503 B9R0.1 O=NN(CCCC(=O)O)C 1P00EFEN [0,1,0,0,0,1|1,0,0]=3 1504 B9R0.1 OC(=O)CCNC(=O)CBr 1P00415Q [0,1,0,0,0,1|0,0,0]=2 1505 B9R0.1 OC(=O)CCNC(=O)CCl 1P00DA4D [0,1,0,0,0,1|0,0,0]=2 1506 B9R0.1 OC(=O)CCOC(=O)C=C 1P002P99 [0,1,0,0,0,1|0,0,1]=3 1507 B9R0.1 OCC(=O)OCCN(C)C 1P028SZW [0,1,0,0,0,1|2,0,0]=4 1508 B9R0.1 [O-]C(=O)CCNC(=O)C=C 1P01A1XR [0,1,0,0,0,1|0,0,2]=4 1509 B9R0.7 BrC(C(=O)O)CCC(C)C 1P01C1OK [0,1,0,0,0,1|1,0,1]=4 1510 B9R0.7 CC(=C)CC[C@H](C(=O)O)N 1P01K2MW [0,1,0,0,0,1|1,0,0]=3 1511 B9R0.7 CC(=CCC(C(=O)O)N)C 1P00CWBL [0,1,0,0,0,1|1,0,0]=3 1512 B9R0.7 CC(=CC[C@@H](C(=O)O)N)C 1P00B7JU [0,1,0,0,0,1|1,0,0]=3 1513 B9R0.7 CC(=CC[C@H](C(=O)O)N)C 1P00GORO [0,1,0,0,0,1|1,0,0]=3 1514 B9R0.7 CC(=O)CCC(C(=O)O)N 1P01A0WV [0,1,0,0,0,1|0,0,0]=2 1515 B9R0.7 CC(=O)OC[C@@H](C(=O)O)C 1P029338 [0,1,0,0,0,1|0,0,0]=2 1516 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N 1P003TW5 [0,1,0,0,0,1|0,0,0]=2 1517 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N 1P00DDM1 [0,1,0,0,0,1|0,0,0]=2 1518 B9R0.7 CC(=O)OC[C@H](C(=O)O)N 1P00C4VL [0,1,0,0,0,1|0,0,0]=2 1519 B9R0.7 CC(=O)SC[C@@H](C(=O)O)N 1P00FCOW [0,1,0,0,0,1|0,0,0]=2 1520 B9R0.7 CC(C(=O)O)CCC(C)C 1P00K362 [0,1,0,0,0,1|1,0,1]=4 1521 B9R0.7 CC(C(=O)O)OCC(C)C 1P019NLD [0,1,0,0,0,1|1,0,1]=4 1522 B9R0.7 CC(CCC(=O)C(=O)O)C 1P01C5LE [0,1,0,0,0,1|1,0,1]=4 1523 B9R0.7 CC(N(C)C)CCC(=O)O 1P01BS2N [0,1,0,0,0,1|2,0,0]=4 1524 B9R0.7 CC(N(CCC(=O)O)C)C 1P00C2JL [0,1,0,0,0,1|1,0,1]=4 1525 B9R0.7 CN(C(=O)CCC(=O)O)C 1P003T2B [0,1,0,0,0,1|2,0,0]=4 1526 B9R0.7 CN(CCC(=C)C(=O)O)C 1P01B7FD [0,1,0,0,0,1|2,0,0]=4 1527 B9R0.7 CS(=O)CCC(C(=O)N)N 1P028PN9 [0,1,0,0,0,1|2,0,0]=4 1528 B9R0.7 CS(=O)CCC(C(=O)O)N 1P003QB0 [0,1,0,0,0,1|1,0,0]=3 1529 B9R0.7 CS(=O)CCC(C(=O)O)O 1P027TQ0 [0,1,0,0,0,1|1,0,0]=3 1530 B9R0.7 CS(=O)CC[C@@H](C(=O)O)N 1P00I6KX [0,1,0,0,0,1|1,0,0]=3 1531 B9R0.7 CS(=O)CC[C@H](C(=O)O)N 1P002LC9 [0,1,0,0,0,1|1,0,0]=3 1532 B9R0.7 FC(C(=O)O)CCC(C)C 1P01FNJ9 [0,1,0,0,0,1|1,0,1]=4 1533 B9R0.7 NC(=N)NC[C@@H](C(=O)O)N 1P01FSWS [0,1,0,0,0,1|2,0,0]=4 1534 B9R0.7 NC(=O)CCC(C(=O)O)N 1P00FDCC [0,1,0,0,0,1|1,0,0]=3 1535 B9R0.7 NC(=O)CCC(C(=O)O)N 1P01DL0Z [0,1,0,0,0,1|1,0,0]=3 1536 B9R0.7 NC(=O)CC[C@@H](C(=O)N)N 1P002DSS [0,1,0,0,0,1|2,0,0]=4 1537 B9R0.7 NC(=O)CC[C@@H](C(=O)N)N 1P00BF88 [0,1,0,0,0,1|2,0,0]=4 1538 B9R0.7 NC(=O)CC[C@@H](C(=O)O)N 1P0035JK [0,1,0,0,0,1|1,0,0]=3 1539 B9R0.7 NC(=O)CC[C@H](C(=O)O)N 1P00IB1D [0,1,0,0,0,1|1,0,0]=3 1540 B9R0.7 NC(=O)NC[C@@H](C(=O)O)N 1P001G1Y [0,1,0,0,0,1|1,0,0]=3 1541 B9R0.7 NC(=S)CCN(C(=O)C)C 1P01A2TC [0,1,0,0,0,1|1,1,0]=4 1542 B9R0.7 NC(C(=O)O)CCC(C)C 1P00CJQB [0,1,0,0,0,1|1,0,1]=4 1543 B9R0.7 NC(C(=O)O)CCC(C)C 1P01AITT [0,1,0,0,0,1|1,0,1]=4 1544 B9R0.7 NC(C(=O)O)CCN(C)C 1P01ALSQ [0,1,0,0,0,1|2,0,0]=4 1545 B9R0.7 NC(C(=O)O)CC[S+](C)C 1P003QAY [0,1,0,0,0,1|2,0,0]=4 1546 B9R0.7 NC(C(=O)O)CC[S+](C)C 1P01NOH7 [0,1,0,0,0,1|2,0,0]=4 1547 B9R0.7 NC(C(C)C)CCC(=O)O 1P028H49 [0,1,0,0,0,1|1,0,1]=4 1548 B9R0.7 N[C@@H](C(=O)O)CCC(C)C 1P0019XG [0,1,0,0,0,1|1,0,1]=4 1549 B9R0.7 N[C@@H](C(=O)O)CCC(C)C 1P01EM0N [0,1,0,0,0,1|1,0,1]=4 1550 B9R0.7 N[C@H](C(=O)O)CCC(C)C 1P0034RK [0,1,0,0,0,1|1,0,1]=4 1551 B9R0.7 N[C@H](C(=O)O)CCC(C)C 1P00HT6X [0,1,0,0,0,1|1,0,1]=4 1552 B9R0.7 N[C@H](C(=O)O)CCN(C)C 1P028SYH [0,1,0,0,0,1|2,0,0]=4 1553 B9R0.7 N[C@H](C(=O)O)COC(C)C 1P01C72K [0,1,0,0,0,1|1,0,1]=4 1554 B9R0.7 O=C(O)C(O)CCN(C)C 1P01K9KK [0,1,0,0,0,1|2,0,0]=4 1555 B9R0.7 OC(=O)CCC(=C(F)F)F 1P008V4Q [0,1,0,0,0,1|2,0,0]=4 1556 B9R0.7 OC(=O)CCC(=O)C(=O)O 1P003HYM [0,1,0,0,0,1|1,0,0]=3 1557 B9R0.7 OC(=O)CCC(=O)C(=O)O 1P00I9R1 [0,1,0,0,0,1|1,0,0]=3 1558 B9R0.7 OC(=O)CCC(=O)C(=O)O 1P00IKSF [0,1,0,0,0,1|1,0,0]=3 1559 B9R0.7 OC(=O)CCC(=O)C(=O)[O-] 1P003O8X [0,1,0,0,0,1|1,0,0]=3 1560 B9R0.7 OC(=O)CCC(C(=O)C)C 1P024QKZ [0,1,0,0,0,1|0,0,0]=2 1561 B9R0.7 OC(=O)CCC(C(=O)O)N 1P00EW2H [0,1,0,0,0,1|1,0,0]=3 1562 B9R0.7 OC(=O)CCC(C(=O)O)[15NH2] 1P00C266 [0,1,0,0,0,1|1,0,0]=3 1563 B9R0.7 OC(=O)CCN(C(=O)C)C 1P00EBR0 [0,1,0,0,0,1|0,0,0]=2 1564 B9R0.7 OC(=O)CC[C@@H](C(=O)N)N 1P00E9XH [0,1,0,0,0,1|1,0,0]=3 1565 B9R0.7 OC(=O)CC[C@@H](C(=O)O)N 1P002GVG [0,1,0,0,0,1|1,0,0]=3 1566 B9R0.7 OC(=O)CC[C@@H](C(=O)O)N 1P0037PA [0,1,0,0,0,1|1,0,0]=3 1567 B9R0.7 OC(=O)CC[C@@H](C(=O)O)N 1P003AI8 [0,1,0,0,0,1|1,0,0]=3 1568 B9R0.7 OC(=O)CC[C@@H](C(=O)O)O 1P000VMI [0,1,0,0,0,1|1,0,0]=3 1569 B9R0.7 OC(=O)CC[C@@H](C(=O)[O-])N 1P003RNH [0,1,0,0,0,1|1,0,0]=3 1570 B9R0.7 OC(=O)CC[C@@H](C(=O)[O-])N 1P003RQN [0,1,0,0,0,1|1,0,0]=3 1571 B9R0.7 OC(=O)CC[C@H](C(=O)N)N 1P0074V8 [0,1,0,0,0,1|1,0,0]=3 1572 B9R0.7 OC(=O)CC[C@H](C(=O)O)C 1P003CM1 [0,1,0,0,0,1|1,0,0]=3 1573 B9R0.7 OC(=O)CC[C@H](C(=O)O)N 1P003PQY [0,1,0,0,0,1|1,0,0]=3 1574 B9R0.7 OC(=O)CC[C@H](C(=O)O)O 1P009WQ7 [0,1,0,0,0,1|1,0,0]=3 1575 B9R0.7 OC(=O)CNC(=O)C(=C)C 1P002O6W [0,1,0,0,0,1|1,0,1]=4 1576 B9R0.7 OC(=O)CNC(=O)C(=O)O 1P00I9VP [0,1,0,0,0,1|1,0,1]=4 1577 B9R0.7 OC(=O)CNC(C(=O)O)C 1P00C9CS [0,1,0,0,0,1|1,0,0]=3 1578 B9R0.7 OC(=O)CN[C@H](C(=O)O)C 1P00EL0F [0,1,0,0,0,1|1,0,0]=3 1579 B9R0.7 OC(C(=O)O)CCC(C)C 1P002RI8 [0,1,0,0,0,1|1,0,1]=4 1580 B9R0.7 OP(=O)CC[C@@H](C(=O)O)N 1P0289LP [0,1,0,0,0,1|2,0,0]=4 1581 B9R0.7 O[C@H](C(=O)O)CCN(C)C 1P028BBT [0,1,0,0,0,1|2,0,0]=4 1582 B9R0.7 [15NH2]C(=O)CC[C@@H](C(=O)O)[15NH2] 1P00C268 [0,1,0,0,0,1|1,0,0]=3 1583 B9R0.7 [O-]C(=O)CCC(=O)C(=O)[O-] 1P0030UE [0,1,0,0,0,1|1,0,1]=4 1584 B9R0.7 [O-]C(=O)CCC(=O)C(=O)[O-] 1P005R6L [0,1,0,0,0,1|1,0,1]=4 1585 B9R0.7 [O-]C(=O)CCC(=O)C(=O)[O-] 1P01FGVU [0,1,0,0,0,1|1,0,1]=4 1586 B9R0.7 [O-]C(=O)CCC(=O)C(=O)[O-] 1P01WALL [0,1,0,0,0,1|1,0,1]=4 1587 B9R0.7 [O-]C(=O)CCC(C(=O)[O-])O 1P00CACC [0,1,0,0,0,1|1,0,1]=4 1588 B9R0.7 [O-]C(=O)CC[C@@H](C(=O)O)N 1P00HWQS [0,1,0,0,0,1|1,0,0]=3 1589 B9R0.7 [O-]C(=O)CC[C@@H](C(=O)[O-])O 1P00EFE5 [0,1,0,0,0,1|1,0,1]=4 1590 B9R0.7 [O-]C(=O)CC[C@H](C(=O)[O-])O 1P007Y40 [0,1,0,0,0,1|1,0,1]=4 1591 B9R0.53 CC(CC(=O)O)CC(=O)O 1P003K80 [0,1,0,0,0,1|1,0,0]=3 1592 B9R0.53 CC(CC(=O)O)NC(C)C 1P001TB9 [0,1,0,0,0,1|1,0,1]=4 1593 B9R0.53 CC(CC(CC(=O)O)C)C 1P00EG1D [0,1,0,0,0,1|1,0,1]=4 1594 B9R0.53 CC(CC(CC(=O)O)N)C 1P0003JH [0,1,0,0,0,1|1,0,1]=4 1595 B9R0.53 CC(CC(CC(=O)O)N)C 1P003JDB [0,1,0,0,0,1|1,0,1]=4 1596 B9R0.53 CC(CC(CC(=O)O)O)C 1P00CZ4R [0,1,0,0,0,1|1,0,1]=4 1597 B9R0.53 CC(C[C@@H](CC(=O)O)N)C 1P003RP6 [0,1,0,0,0,1|1,0,1]=4 1598 B9R0.53 CC(C[C@@H](CC(=O)O)N)C 1P007O5X [0,1,0,0,0,1|1,0,1]=4 1599 B9R0.53 CC(C[C@@H](CC(=O)O)O)C 1P0288QD [0,1,0,0,0,1|1,0,1]=4 1600 B9R0.53 CC(C[C@H](CC(=O)O)N)C 1P000XNZ [0,1,0,0,0,1|1,0,1]=4 1601 B9R0.53 CC(C[C@H](CC(=O)O)N)C 1P006D2D [0,1,0,0,0,1|1,0,1]=4 1602 B9R0.53 CC(C[C@H](CC(=O)O)O)C 1P0288Q6 [0,1,0,0,0,1|1,0,1]=4 1603 B9R0.53 CC(OC(=O)C)OC(=O)C 1P00DANR [0,1,0,0,0,1|2,0,0]=4 1604 B9R0.53 CN(CC(=O)O)CC(=O)O 1P0035V4 [0,1,0,0,0,1|1,0,0]=3 1605 B9R0.53 CN(CC(CC(=O)O)C)C 1P01E8F9 [0,1,0,0,0,1|2,0,0]=4 1606 B9R0.53 CN(CC(CC(=O)O)O)C 1P01BCNW [0,1,0,0,0,1|2,0,0]=4 1607 B9R0.53 ClC(CC(=O)Cl)CC(=O)Cl 1P0292LZ [0,1,0,0,0,1|2,0,0]=4 1608 B9R0.53 NC(CC(=O)O)CC(=O)O 1P0074YD [0,1,0,0,0,1|1,0,0]=3 1609 B9R0.53 NC(CC(=O)O)CC(=O)O 1P007DZD [0,1,0,0,0,1|1,0,0]=3 1610 B9R0.53 O=C(CC(=O)O)CC(=O)O 1P00331V [0,1,0,0,0,1|1,0,0]=3 1611 B9R0.53 OC(=O)CC(NC(=O)C)C 1P0012TC [0,1,0,0,0,1|0,0,0]=2 1612 B9R0.53 OC(=O)CC(NC(=O)N)C 1P01B2PT [0,1,0,0,0,1|1,0,0]=3 1613 B9R0.53 OC(=O)CS(=O)CC(=O)O 1P00C0I9 [0,1,0,0,0,1|1,0,0]=3 1614 B9R0.53 OC(=O)C\C(=C\C(=O)O)\C 1P00EDMN [0,1,0,0,0,1|1,0,1]=4 1615 B9R0.53 OC(CC(=O)O)CC(=O)O 1P00EC3A [0,1,0,0,0,1|1,0,0]=3 1616 B9R0.56 CC(=O)NCCS(=O)(=O)N 1P01AK6R [0,1,0,0,0,1|1,0,1]=4 1617 B9R0.56 CC(=O)NCCS(=O)(=O)O 1P002G5I [0,1,0,0,0,1|1,0,0]=3 1618 B9R0.56 CC(=O)OCCS(=O)(=O)Cl 1P00G8XG [0,1,0,0,0,1|1,0,1]=4 1619 B9R0.56 CC(=O)SCCS(=O)(=O)[O-] 1P00G5Q8 [0,1,0,0,0,1|1,0,1]=4 1620 B9R0.56 OC(=O)CCCC(C)(C)C 1P002OSG [0,1,0,0,0,1|1,0,1]=4 1621 B9R0.56 OC(=O)CCCC(F)(F)C 1P028IVU [0,1,0,0,0,1|1,0,1]=4 1622 B9R0.56 OC(=O)CCCP(=O)(O)O 1P00DCFG [0,1,0,0,0,1|2,0,0]=4 1623 B9R0.56 OC(=O)CCCS(=O)(=O)C 1P00VUWA [0,1,0,0,0,1|1,0,0]=3 1624 B9R0.56 OC(=O)CCCS(=O)(=O)N 1P00I051 [0,1,0,0,0,1|2,0,0]=4 1625 B9R0.56 OC(=O)CCCS(=O)(=O)O 1P01GR6F [0,1,0,0,0,1|2,0,0]=4 1626 B9R0.56 OC(=O)CCC[N+](C)(C)C 1P00EEZK [0,1,0,0,0,1|2,0,0]=4 1627 B9R0.56 OC(=O)CCC[Si](C)(C)C 1P00BVS7 [0,1,0,0,0,1|1,1,0]=4 1628 B9R0.56 OC(=O)CCNC(C)(C)C 1P019L1G [0,1,0,0,0,1|1,0,1]=4 1629 B9R0.56 OC(=O)CCNS(=O)(=O)C 1P008V40 [0,1,0,0,0,1|1,0,0]=3 1630 B9R0.56 OC(=O)CCN[N+](C)(C)C 1P00IKXR [0,1,0,0,0,1|2,0,0]=4 1631 B9R0.56 OC(=O)CNCC(C)(C)C 1P01B6TR [0,1,0,0,0,1|1,0,1]=4 1632 B9R0.56 OC(=O)CNCC(O)(C)C 1P028C4H [0,1,0,0,0,1|0,0,2]=4 1633 B9R0.56 OC(=O)CNCP(=O)(C)C 1P028H9Z [0,1,0,0,0,1|1,0,0]=3 1634 B9R0.56 OC(=O)CNCP(=O)(O)O 1P0035FW [0,1,0,0,0,1|2,0,0]=4 1635 B9R0.56 OC(=O)COCC(C)(C)C 1P028VIS [0,1,0,0,0,1|1,0,1]=4 1636 B9R0.56 OC(=O)COCP(=O)(C)C 1P028VV8 [0,1,0,0,0,1|1,0,0]=3 1637 B9R0.21 CCC(=O)CCC(O)(C)C 1P000KI1 [0,2,0,0,0,0|1,0,1]=4 1638 B9R0.21 COC(=O)CCC(N)(C)C 1P01AIDM [0,2,0,0,0,0|1,0,1]=4 1639 B9R0.21 COC(=O)CCS(=O)(=N)C 1P028N9U [0,2,0,0,0,0|1,0,0]=3 1640 B9R0.21 COC(=O)CCS(=O)(=O)Cl 1P0035N3 [0,2,0,0,0,0|1,0,1]=4 1641 B9R0.21 COC(=O)CCS(=O)(=O)F 1P01AN19 [0,2,0,0,0,0|1,0,1]=4 1642 B9R0.21 COC(=O)CCS(=O)(=O)N 1P007Y21 [0,2,0,0,0,0|1,0,1]=4 1643 B9R0.21 COC(=O)CCS(=O)(=O)[O-] 1P01BW54 [0,2,0,0,0,0|1,0,1]=4 1644 B9R0.21 COC(=O)COS(=O)(=O)C 1P01BU48 [0,2,0,0,0,0|2,0,0]=4 1645 B9R0.21 ClCC(=O)CCS(=O)(=O)C 1P01FIKD [0,2,0,0,0,0|1,0,1]=4 1646 B9R0.21 ON=C(CCS(=O)(=O)C)N 1P01BRIT [0,2,0,0,0,0|2,0,0]=4 1647 B9R0.23 CC(C(=O)OC)CC(=O)O 1P01A0JP [0,2,0,0,0,0|0,0,0]=2 1648 B9R0.23 CC(C(=O)OC)NC(=O)N 1P028WFG [0,2,0,0,0,0|2,0,0]=4 1649 B9R0.23 CC(C(CC(=O)O)O)CC 1P0291JV [0,2,0,0,0,0|1,0,1]=4 1650 B9R0.23 CC(N(CC)C)CC(=O)O 1P00J2CB [0,2,0,0,0,0|2,0,0]=4 1651 B9R0.23 CN(C(=O)C=C)CC(=O)O 1P01BG7D [0,2,0,0,0,0|1,0,1]=4 1652 B9R0.23 CN(C(=O)CN)CC(=O)O 1P00BDRD [0,2,0,0,0,0|1,0,0]=3 1653 B9R0.23 CN(C(=O)OC)CC(=O)O 1P019NG3 [0,2,0,0,0,0|1,0,0]=3 1654 B9R0.23 CNC(=O)[C@@H](NC(=O)C)C 1P00ALAD [0,2,0,0,0,0|2,0,0]=4 1655 B9R0.23 COC(=O)C(=C)CC(=O)O 1P019TQA [0,2,0,0,0,0|0,0,1]=3 1656 B9R0.23 COC(=O)C(=C)NC(=O)C 1P0037T5 [0,2,0,0,0,0|1,0,1]=4 1657 B9R0.23 COC(=O)C(=O)CC(=O)C 1P002ATD [0,2,0,0,0,0|0,0,1]=3 1658 B9R0.23 COC(=O)C(CC(=C)C)N 1P01BEQD [0,2,0,0,0,0|1,0,0]=3 1659 B9R0.23 COC(=O)C(CC(=C)C)N 1P0284BX [0,2,0,0,0,0|1,0,0]=3 1660 B9R0.23 COC(=O)C(CC(=O)C)C 1P01AC9R [0,2,0,0,0,0|0,0,0]=2 1661 B9R0.23 COC(=O)C(CC(=O)C)N 1P028W71 [0,2,0,0,0,0|0,0,0]=2 1662 B9R0.23 COC(=O)C(CC(=O)N)N 1P01C87U [0,2,0,0,0,0|1,0,0]=3 1663 B9R0.23 COC(=O)C(CC(=O)O)Br 1P01BBUO [0,2,0,0,0,0|0,0,0]=2 1664 B9R0.23 COC(=O)C(CC(=O)O)N 1P006RMB [0,2,0,0,0,0|0,0,0]=2 1665 B9R0.23 COC(=O)C(CC(C)C)Br 1P00EFMR [0,2,0,0,0,0|1,0,1]=4 1666 B9R0.23 COC(=O)C(CC(C)C)N 1P00EH4Z [0,2,0,0,0,0|1,0,1]=4 1667 B9R0.23 COC(=O)C(CC(C)C)O 1P00D6S5 [0,2,0,0,0,0|1,0,1]=4 1668 B9R0.23 COC(=O)C(CC(C)C)S 1P028RXP [0,2,0,0,0,0|1,0,1]=4 1669 B9R0.23 COC(=O)C(CN(C)C)N 1P01BBPI [0,2,0,0,0,0|2,0,0]=4 1670 B9R0.23 COC(=O)C(NC(=O)C)C 1P00C0A9 [0,2,0,0,0,0|1,0,0]=3 1671 B9R0.23 COC(=O)C(OC(=O)C)C 1P00F3XV [0,2,0,0,0,0|1,0,0]=3 1672 B9R0.23 COC(=O)[C@@H](CC(=O)N)N 1P009Z18 [0,2,0,0,0,0|1,0,0]=3 1673 B9R0.23 COC(=O)[C@@H](CC(=O)O)N 1P00ECMP [0,2,0,0,0,0|0,0,0]=2 1674 B9R0.23 COC(=O)[C@@H](CC(=O)O)O 1P004VIL [0,2,0,0,0,0|0,0,0]=2 1675 B9R0.23 COC(=O)[C@@H](CC(C)C)N 1P003553 [0,2,0,0,0,0|1,0,1]=4 1676 B9R0.23 COC(=O)[C@@H](CC(C)C)O 1P01DTYF [0,2,0,0,0,0|1,0,1]=4 1677 B9R0.23 COC(=O)[C@@H](NC(=O)C)C 1P002UC8 [0,2,0,0,0,0|1,0,0]=3 1678 B9R0.23 COC(=O)[C@@H](OC(=O)C)C 1P001CPD [0,2,0,0,0,0|1,0,0]=3 1679 B9R0.23 COC(=O)[C@H](CC(=O)N)N 1P003ROO [0,2,0,0,0,0|1,0,0]=3 1680 B9R0.23 COC(=O)[C@H](CC(=O)O)O 1P00FE7L [0,2,0,0,0,0|0,0,0]=2 1681 B9R0.23 COC(=O)[C@H](CC(C)C)N 1P003RT7 [0,2,0,0,0,0|1,0,1]=4 1682 B9R0.23 COC(=O)[C@H](NC(=O)C)C 1P002CED [0,2,0,0,0,0|1,0,0]=3 1683 B9R0.23 C[C@H]([C@@H](CC(=O)O)N)OC 1P028TWN [0,2,0,0,0,0|0,0,2]=4 1684 B9R0.23 O=NN(C(CC(=O)O)C)C 1P028455 [0,2,0,0,0,0|1,0,0]=3 1685 B9R0.23 O[H]=C([C@H](CC(=O)O)N)O 1P007H9U [0,2,0,0,0,0|1,0,1]=4 1686 B9R0.23 [O-]C(=O)C[C@@H](C(=O)OC)N 1P00268E [0,2,0,0,0,0|0,0,1]=3 1687 B9R0.23 [O-]S(=O)CC(C(=O)OC)C 1P01EJ1J [0,2,0,0,0,0|1,0,1]=4 1688 B9R0.24 BrCC(=O)CCC(=O)OC 1P00DMCL [0,2,0,0,0,0|0,0,0]=2 1689 B9R0.24 BrCC(CCC(=O)OC)C 1P028365 [0,2,0,0,0,0|1,0,1]=4 1690 B9R0.24 CCC(=O)CCC(=O)CC 1P002Z6N [0,2,0,0,0,0|1,0,0]=3 1691 B9R0.24 CCC(=O)CCC(=O)OC 1P002Z6O [0,2,0,0,0,0|0,0,0]=2 1692 B9R0.24 CCC(=O)CNC(=O)CCl 1P01A6VR [0,2,0,0,0,0|2,0,0]=4 1693 B9R0.24 CCC(CCC(=O)OC)N 1P01FJTT [0,2,0,0,0,0|1,0,1]=4 1694 B9R0.24 COC(=O)C#CC(=O)OC 1P00357O [0,2,0,0,0,0|0,0,2]=4 1695 B9R0.24 COC(=O)CCC(=O)OC 1P003580 [0,2,0,0,0,0|0,0,0]=2 1696 B9R0.24 COC(=O)\C=C/C(=O)OC 1P003Q2T [0,2,0,0,0,0|0,0,2]=4 1697 B9R0.24 COC(=O)\C=C\C(=O)OC 1P003Q2Q [0,2,0,0,0,0|0,0,2]=4 1698 B9R0.24 COC(CCC(=O)OC)C 1P01A6G9 [0,2,0,0,0,0|0,0,2]=4 1699 B9R0.24 CSC(CCC(=O)OC)C 1P028QEO [0,2,0,0,0,0|0,1,1]=4 1700 B9R0.24 ClCC(=O)CCC(=O)OC 1P01BG0S [0,2,0,0,0,0|0,0,0]=2 1701 B9R0.24 ClCC(=O)NCC(=O)NC 1P004A5S [0,2,0,0,0,0|2,0,0]=4 1702 B9R0.24 ClCC(=O)NCC(=O)OC 1P005S40 [0,2,0,0,0,0|1,0,0]=3 1703 B9R0.24 N#CN(CCC(=O)OC)C 1P028W05 [0,2,0,0,0,0|2,0,0]=4 1704 B9R0.24 NCC(=O)CCC(=O)OC 1P0036XD [0,2,0,0,0,0|0,0,0]=2 1705 B9R0.24 NCC(=O)NCC(=O)NC 1P00K0LB [0,2,0,0,0,0|2,0,0]=4 1706 B9R0.24 NCC(=O)NCC(=O)OC 1P002V5M [0,2,0,0,0,0|1,0,0]=3 1707 B9R0.24 NNC(=O)CCC(=O)NN 1P003UX6 [0,2,0,0,0,0|2,0,0]=4 1708 B9R0.24 NNC(=O)NCC(=O)OC 1P01A5SN [0,2,0,0,0,0|2,0,0]=4 1709 B9R0.24 OCC(=O)CCC(=O)OC 1P028ZPH [0,2,0,0,0,0|0,0,0]=2 1710 B9R0.42 CC(C(=O)O)NC(=O)CC 1P00J276 [0,2,0,0,0,0|1,0,0]=3 1711 B9R0.42 CCC(=O)CC(C(=O)O)N 1P00VVTZ [0,2,0,0,0,0|0,0,0]=2 1712 B9R0.42 CCC(CC(C(=O)O)N)C 1P019ZGJ [0,2,0,0,0,0|1,0,1]=4 1713 B9R0.42 CCC(C[C@@H](C(=O)O)N)C 1P028FBT [0,2,0,0,0,0|1,0,1]=4 1714 B9R0.42 CCC(C[C@@H](C(=O)O)N)C 1P028UKV [0,2,0,0,0,0|1,0,1]=4 1715 B9R0.42 CN(C(=O)Cl)CC(=O)OC 1P01OHOE [0,2,0,0,0,0|2,0,0]=4 1716 B9R0.42 CNC(=O)CC(C(=O)O)N 1P01DNS8 [0,2,0,0,0,0|0,0,0]=2 1717 B9R0.42 CNC(=O)CN(C(=O)C)C 1P01A0IT [0,2,0,0,0,0|2,0,0]=4 1718 B9R0.42 COC(=O)C=C(C(=O)C)C 1P01A1RI [0,2,0,0,0,0|0,0,2]=4 1719 B9R0.42 COC(=O)CC(=C)C(=O)O 1P003SMD [0,2,0,0,0,0|0,0,1]=3 1720 B9R0.42 COC(=O)CC(=O)C(=O)[O-] 1P0010DO [0,2,0,0,0,0|0,0,2]=4 1721 B9R0.42 COC(=O)CC(C(=O)O)N 1P003AAX [0,2,0,0,0,0|0,0,0]=2 1722 B9R0.42 COC(=O)CC(C(C)C)N 1P01BFC5 [0,2,0,0,0,0|1,0,1]=4 1723 B9R0.42 COC(=O)C[C@@H](C(=O)O)Br 1P028J7E [0,2,0,0,0,0|0,0,0]=2 1724 B9R0.42 COC(=O)C[C@@H](C(=O)O)N 1P001YMF [0,2,0,0,0,0|0,0,0]=2 1725 B9R0.42 COC(=O)C[C@@H](C(=O)O)N 1P007PN9 [0,2,0,0,0,0|0,0,0]=2 1726 B9R0.42 COC(=O)C[C@@H](C(C)C)N 1P00IC8G [0,2,0,0,0,0|1,0,1]=4 1727 B9R0.42 COC(=O)C[C@H](C(=O)O)Br 1P027U0B [0,2,0,0,0,0|0,0,0]=2 1728 B9R0.42 COC(=O)C[C@H](C(=O)O)N 1P0039SA [0,2,0,0,0,0|0,0,0]=2 1729 B9R0.42 COC(=O)C[C@H](C(=O)O)N 1P00BGJ8 [0,2,0,0,0,0|0,0,0]=2 1730 B9R0.42 COC(=O)C[C@H](C(C)C)N 1P00I01W [0,2,0,0,0,0|1,0,1]=4 1731 B9R0.42 C[C@@H](C(=O)O)CC(=O)OC 1P003EZT [0,2,0,0,0,0|0,0,0]=2 1732 B9R0.42 C[C@@H](C(=O)O)NC(=O)CCl 1P000PH5 [0,2,0,0,0,0|1,0,0]=3 1733 B9R0.42 C[C@@H](C(=O)O)NC(=O)CN 1P002N56 [0,2,0,0,0,0|1,0,0]=3 1734 B9R0.42 C[C@H](C(=O)O)CC(=O)OC 1P008ZN8 [0,2,0,0,0,0|0,0,0]=2 1735 B9R0.42 FC[C@H](C[C@@H](C(=O)O)N)C 1P0293LN [0,2,0,0,0,0|1,0,1]=4 1736 B9R0.42 NCC(=O)CC(C(=O)O)N 1P01KL5Z [0,2,0,0,0,0|0,0,0]=2 1737 B9R0.42 O=NN(CC(C(=O)O)C)C 1P02842K [0,2,0,0,0,0|1,0,0]=3 1738 B9R0.42 OC(C(=O)O)NC(=O)C=C 1P003770 [0,2,0,0,0,0|1,0,1]=4 1739 B9R0.42 OCC(C[C@@H](C(=O)O)N)C 1P007FA8 [0,2,0,0,0,0|0,0,2]=4 1740 B9R0.42 [O-]C(=O)C(CC(=O)OC)C 1P002N6P [0,2,0,0,0,0|0,0,1]=3 1741 B9R0.43 CCC(CCC(=O)O)CC 1P00F40H [0,2,0,0,0,0|1,0,1]=4 1742 B9R0.43 CCC(CCC(=O)O)OC 1P028RAK [0,2,0,0,0,0|0,0,2]=4 1743 B9R0.43 CCN(CCC(=O)O)CC 1P001PET [0,2,0,0,0,0|2,0,0]=4 1744 B9R0.43 CNC(=NCC(=O)O)NC 1P01DX0Z [0,2,0,0,0,0|2,0,0]=4 1745 B9R0.43 COC(CN)CCC(=O)O 1P027UGG [0,2,0,0,0,0|0,0,2]=4 1746 B9R0.43 FCC(CCC(=O)O)CF 1P0293W0 [0,2,0,0,0,0|1,0,1]=4 1747 B9R0.48 CC(OCC)CCC(=O)O 1P024SFD [0,2,0,0,0,0|0,0,2]=4 1748 B9R0.48 CCCC(=O)CCC(=O)C 1P00399S [0,2,0,0,0,0|1,0,0]=3 1749 B9R0.48 CCCC(=O)CCC(=O)O 1P0065J5 [0,2,0,0,0,0|0,0,0]=2 1750 B9R0.48 CCCC(=O)NCC(=O)N 1P01DWZP [0,2,0,0,0,0|2,0,0]=4 1751 B9R0.48 CCCC(=O)NCC(=O)O 1P0028IS [0,2,0,0,0,0|1,0,0]=3 1752 B9R0.48 CCCN(CCC(=O)O)C 1P01ABCF [0,2,0,0,0,0|2,0,0]=4 1753 B9R0.48 CCNC(=O)CCC(=O)O 1P01AB1G [0,2,0,0,0,0|0,0,0]=2 1754 B9R0.48 CCNC(=S)NCC(=O)O 1P00AH7Q [0,2,0,0,0,0|1,1,0]=4 1755 B9R0.48 CCOC(=O)CCC(=C)C 1P0035C1 [0,2,0,0,0,0|1,0,0]=3 1756 B9R0.48 CCOC(=O)CCC(=N)N 1P028IRB [0,2,0,0,0,0|2,0,0]=4 1757 B9R0.48 CCOC(=O)CCC(=O)C 1P0035D3 [0,2,0,0,0,0|0,0,0]=2 1758 B9R0.48 CCOC(=O)CCC(=O)N 1P00D9KH [0,2,0,0,0,0|1,0,0]=3 1759 B9R0.48 CCOC(=O)CCC(=O)O 1P0035QH [0,2,0,0,0,0|0,0,0]=2 1760 B9R0.48 CCOC(=O)CCC(Br)C 1P01A8TC [0,2,0,0,0,0|1,0,1]=4 1761 B9R0.48 CCOC(=O)CCC(C)C 1P0035C3 [0,2,0,0,0,0|1,0,1]=4 1762 B9R0.48 CCOC(=O)CCC(N)C 1P01A3FI [0,2,0,0,0,0|1,0,1]=4 1763 B9R0.48 CCOC(=O)CCN(C)C 1P002DPJ [0,2,0,0,0,0|2,0,0]=4 1764 B9R0.48 CCOC(=O)CNC(=O)C 1P002F4K [0,2,0,0,0,0|1,0,0]=3 1765 B9R0.48 CCOC(=O)COC(=O)C 1P00EUCK [0,2,0,0,0,0|1,0,0]=3 1766 B9R0.48 CCOC(=O)NCC(=O)O 1P019N08 [0,2,0,0,0,0|1,0,0]=3 1767 B9R0.48 CCOC(=O)\C=C/C(=O)O 1P003SM8 [0,2,0,0,0,0|0,0,2]=4 1768 B9R0.48 CCOC(=O)\C=C\C(=O)C 1P00054H [0,2,0,0,0,0|0,0,2]=4 1769 B9R0.48 CCOC(=O)\C=C\C(=O)O 1P002P5C [0,2,0,0,0,0|0,0,2]=4 1770 B9R0.48 NCCC(=O)NCC(=O)O 1P01BG3Y [0,2,0,0,0,0|1,0,0]=3 1771 B9R0.48 OCCN(CCC(=O)O)C 1P019UKV [0,2,0,0,0,0|1,0,1]=4 1772 B9R0.48 [O-][N+](=O)CCC(=O)OCC 1P007DQP [0,2,0,0,0,0|1,0,1]=4 1773 B9R0.64 BrCC(CCC(=O)O)(C)C 1P0281H6 [0,2,0,0,0,0|1,0,1]=4 1774 B9R0.64 C#CC(CCC(=O)O)(C)C 1P027Y78 [0,2,0,0,0,0|1,0,1]=4 1775 B9R0.64 C=CS(=O)(=O)CCC(=O)O 1P0282V4 [0,2,0,0,0,0|1,0,1]=4 1776 B9R0.64 CC(CC)(CCC(=O)O)N 1P028VEV [0,2,0,0,0,0|1,0,1]=4 1777 B9R0.64 CCS(=O)(=O)NCC(=O)O 1P00GUWM [0,2,0,0,0,0|2,0,0]=4 1778 B9R0.64 CNS(=O)(=O)CCC(=O)O 1P01A478 [0,2,0,0,0,0|1,0,0]=3 1779 B9R0.64 CNS(=O)(=O)NCC(=O)O 1P01AEUO [0,2,0,0,0,0|2,0,0]=4 1780 B9R0.64 COC(CCC(=O)O)(C)C 1P0288Q5 [0,2,0,0,0,0|0,0,2]=4 1781 B9R0.64 N#CC(CCC(=O)O)(C)C 1P018JYQ [0,2,0,0,0,0|1,0,1]=4 1782 B9R0.64 O=CC(CCC(=O)O)(C)C 1P006V47 [0,2,0,0,0,0|0,0,1]=3 1783 B9R0.10 CC(C(C)(C)C)CC(=O)O 1P005EAO [0,2,0,0,0,0|1,0,1]=4 1784 B9R0.10 CC(C(N)(C)C)CC(=O)O 1P01PW37 [0,2,0,0,0,0|1,0,1]=4 1785 B9R0.10 NC(C(C)(C)C)CC(=O)O 1P0029SO [0,2,0,0,0,0|1,0,1]=4 1786 B9R0.10 N[C@@H](C(C)(C)C)CC(=O)O 1P00398I [0,2,0,0,0,0|1,0,1]=4 1787 B9R0.10 N[C@@H](C(C)(C)C)CC(=O)O 1P01FIWX [0,2,0,0,0,0|1,0,1]=4 1788 B9R0.10 N[C@H](C(C)(C)C)CC(=O)O 1P0037RQ [0,2,0,0,0,0|1,0,1]=4 1789 B9R0.10 OC(=O)CC(P(=O)(C)C)C 1P028YKH [0,2,0,0,0,0|1,0,0]=3 1790 B9R0.10 OC(=O)CN(S(=O)(=O)C)C 1P000H6D [0,2,0,0,0,0|2,0,0]=4 1791 B9R0.10 O[C@@H](C(C)(C)C)CC(=O)O 1P004KC6 [0,2,0,0,0,0|1,0,1]=4 1792 B9R0.10 O[C@H](C(C)(C)C)CC(=O)O 1P028MFQ [0,2,0,0,0,0|1,0,1]=4 1793 B9R0.11 BrC(=C)CC(C(=O)O)(C)C 1P028M1K [0,2,0,0,0,0|1,0,1]=4 1794 B9R0.11 CC(=O)CC(C(=O)O)(C)C 1P00DZW2 [0,2,0,0,0,0|0,0,0]=2 1795 B9R0.11 CC(=O)NC(C(=O)O)(C)C 1P00DL9X [0,2,0,0,0,0|1,0,0]=3 1796 B9R0.11 CC(=O)OC(C(=O)Br)(C)C 1P003GRB [0,2,0,0,0,0|2,0,0]=4 1797 B9R0.11 CC(=O)OC(C(=O)Cl)(C)C 1P003EP7 [0,2,0,0,0,0|2,0,0]=4 1798 B9R0.11 CC(=O)OC(C(=O)O)(C)C 1P01AG9J [0,2,0,0,0,0|1,0,0]=3 1799 B9R0.11 CC(C(CC(=O)O)(C)C)N 1P0287TU [0,2,0,0,0,0|1,0,1]=4 1800 B9R0.11 CC(C(CC(=O)O)(F)F)C 1P01BU98 [0,2,0,0,0,0|1,0,1]=4 1801 B9R0.11 CC(CC(C(=O)O)(Br)C)C 1P028B2J [0,2,0,0,0,0|1,0,1]=4 1802 B9R0.11 CC(CC(C(=O)O)(C)C)C 1P019ZBB [0,2,0,0,0,0|1,0,1]=4 1803 B9R0.11 CC(CC(C(=O)O)(F)F)C 1P028Z8S [0,2,0,0,0,0|1,0,1]=4 1804 B9R0.11 CC(CC(C(=O)O)(O)C)C 1P003HUB [0,2,0,0,0,0|1,0,1]=4 1805 B9R0.11 CC(C[C@@](C(=O)O)(N)C)C 1P001J7Z [0,2,0,0,0,0|1,0,1]=4 1806 B9R0.11 CC(C[C@](C(=O)O)(N)C)C 1P002ZBC [0,2,0,0,0,0|1,0,1]=4 1807 B9R0.11 CN(C(CC(=O)O)(C)C)C 1P0291U7 [0,2,0,0,0,0|2,0,0]=4 1808 B9R0.11 CN(CC(C(=O)O)(C)C)C 1P01DW8O [0,2,0,0,0,0|2,0,0]=4 1809 B9R0.11 CN(CC(C(=O)O)(C)C)C 1P01JN2R [0,2,0,0,0,0|2,0,0]=4 1810 B9R0.11 CN(CC(C(=O)O)(F)F)C 1P01DS0L [0,2,0,0,0,0|2,0,0]=4 1811 B9R0.11 CN(CC(C(=O)O)(F)F)C 1P028Y8S [0,2,0,0,0,0|2,0,0]=4 1812 B9R0.11 CN(CC(C(=O)O)(N)C)C 1P00K4CF [0,2,0,0,0,0|2,0,0]=4 1813 B9R0.11 OC(=O)CC(C(=O)C)(C)C 1P002NSR [0,2,0,0,0,0|0,0,0]=2 1814 B9R0.11 OC(=O)CC(C(=O)O)(C)C 1P003FSH [0,2,0,0,0,0|1,0,0]=3 1815 B9R0.11 OC(=O)CC(C(=O)O)(F)F 1P003FRN [0,2,0,0,0,0|1,0,0]=3 1816 B9R0.11 OC(=O)CC(C(=O)O)(S)S 1P006XMQ [0,2,0,0,0,0|1,0,0]=3 1817 B9R0.11 OC(=O)C[C@@](C(=O)O)(N)C 1P007K6T [0,2,0,0,0,0|1,0,0]=3 1818 B9R0.11 OC(=O)C[C@](C(=O)O)(O)C 1P003PO5 [0,2,0,0,0,0|1,0,0]=3 1819 B9R0.39 CCC(C(=O)Cl)CC(=O)Cl 1P003QQQ [0,2,0,0,0,0|2,0,0]=4 1820 B9R0.39 CCC(C(=O)O)CC(=O)O 1P003917 [0,2,0,0,0,0|1,0,0]=3 1821 B9R0.39 CCC(C(=O)O)CC(C)C 1P0083IU [0,2,0,0,0,0|1,0,1]=4 1822 B9R0.39 CCC(C(=O)O)CN(C)C 1P027VHC [0,2,0,0,0,0|2,0,0]=4 1823 B9R0.39 CCC(C(=O)O)NC(=O)C 1P003T5D [0,2,0,0,0,0|1,0,0]=3 1824 B9R0.39 CCC(C(=O)O)NC(=O)N 1P00DA9X [0,2,0,0,0,0|2,0,0]=4 1825 B9R0.39 CCC(C(C)C)CC(=O)O 1P01ABIR [0,2,0,0,0,0|1,0,1]=4 1826 B9R0.39 CC[C@@H](C(C)C)CC(=O)O 1P01EKLC [0,2,0,0,0,0|1,0,1]=4 1827 B9R0.39 CC[C@H](C(=O)O)NC(=O)C 1P00C8CK [0,2,0,0,0,0|1,0,0]=3 1828 B9R0.39 CNC(C(=O)C)CC(=O)O 1P00C18E [0,2,0,0,0,0|0,0,0]=2 1829 B9R0.39 CNC(C(=O)O)CC(=O)O 1P00BIDR [0,2,0,0,0,0|1,0,0]=3 1830 B9R0.39 CNC(C(=O)O)CC(C)C 1P003TO9 [0,2,0,0,0,0|1,0,1]=4 1831 B9R0.39 CN[C@@H](C(=O)O)CC(=O)O 1P003TNX [0,2,0,0,0,0|1,0,0]=3 1832 B9R0.39 CN[C@@H](C(=O)O)CC(C)C 1P0017B8 [0,2,0,0,0,0|1,0,1]=4 1833 B9R0.39 CN[C@@H](C(=O)O)CC(C)C 1P00D0O0 [0,2,0,0,0,0|1,0,1]=4 1834 B9R0.39 CN[C@H](C(=O)O)CC(=O)N 1P0062X5 [0,2,0,0,0,0|1,0,0]=3 1835 B9R0.39 CN[C@H](C(=O)O)CC(=O)O 1P0026EU [0,2,0,0,0,0|1,0,0]=3 1836 B9R0.39 CN[C@H](C(=O)O)CC(C)C 1P003147 [0,2,0,0,0,0|1,0,1]=4 1837 B9R0.39 CN[C@H](C(=O)O)CC(C)C 1P00FAQ4 [0,2,0,0,0,0|1,0,1]=4 1838 B9R0.39 COC(C(=O)O)CC(=C)C 1P028637 [0,2,0,0,0,0|1,0,0]=3 1839 B9R0.39 COC(C(=O)O)CC(=O)O 1P01HCXD [0,2,0,0,0,0|1,0,0]=3 1840 B9R0.39 COC(C(=O)O)CC(C)C 1P01C3J5 [0,2,0,0,0,0|1,0,1]=4 1841 B9R0.39 NCC(C(=O)O)CC(=O)O 1P00VW4U [0,2,0,0,0,0|1,0,0]=3 1842 B9R0.39 NCC(C(=O)O)CC(C)C 1P01BHB2 [0,2,0,0,0,0|1,0,1]=4 1843 B9R0.39 NC[C@@H](C(=O)O)CC(C)C 1P0029LH [0,2,0,0,0,0|1,0,1]=4 1844 B9R0.39 NC[C@@H](C(=O)O)CC(C)C 1P009KAI [0,2,0,0,0,0|1,0,1]=4 1845 B9R0.39 NC[C@H](C(=O)O)CC(C)C 1P0011CS [0,2,0,0,0,0|1,0,1]=4 1846 B9R0.39 NC[C@H](C(=O)O)CC(C)C 1P002L6N [0,2,0,0,0,0|1,0,1]=4 1847 B9R0.39 NOC(C(=O)O)CC(C)C 1P028TYF [0,2,0,0,0,0|1,0,1]=4 1848 B9R0.39 OCC(C(=O)O)NC(=O)C 1P006O7I [0,2,0,0,0,0|1,0,0]=3 1849 B9R0.39 OCC(C(=O)O)NC(=O)N 1P019K7Q [0,2,0,0,0,0|2,0,0]=4 1850 B9R0.39 OC[C@@H](C(=O)O)NC(=O)C 1P001UOS [0,2,0,0,0,0|1,0,0]=3 1851 B9R0.39 SCC(C(=O)O)NC(=O)C 1P0036IX [0,2,0,0,0,0|1,0,0]=3 1852 B9R0.39 SC[C@@H](C(=O)N)NC(=O)C 1P0036OZ [0,2,0,0,0,0|2,0,0]=4 1853 B9R0.39 SC[C@@H](C(=O)O)NC(=O)C 1P0035SO [0,2,0,0,0,0|1,0,0]=3 1854 B9R0.39 SC[C@H](C(=O)O)NC(=O)C 1P002S73 [0,2,0,0,0,0|1,0,0]=3 1855 B9R0.57 CC(C(=O)O)CC(C)(C)C 1P01ADOK [0,2,0,0,0,0|1,0,1]=4 1856 B9R0.57 CC(C(=O)O)CC(F)(F)C 1P024ULX [0,2,0,0,0,0|1,0,1]=4 1857 B9R0.57 CC(C(=O)O)CC(N)(C)C 1P01AGET [0,2,0,0,0,0|1,0,1]=4 1858 B9R0.57 FC(C(=O)O)CC(C)(C)C 1P027UGQ [0,2,0,0,0,0|1,0,1]=4 1859 B9R0.57 NC(C(=O)O)CC(C)(C)C 1P00E9L2 [0,2,0,0,0,0|1,0,1]=4 1860 B9R0.57 NC(C(=O)O)CC(C)(C)C 1P01A2A3 [0,2,0,0,0,0|1,0,1]=4 1861 B9R0.57 NC(C(=O)O)CC(Cl)(C)C 1P01C5Z3 [0,2,0,0,0,0|1,0,1]=4 1862 B9R0.57 NC(C(=O)O)CC(F)(F)C 1P028C8P [0,2,0,0,0,0|1,0,1]=4 1863 B9R0.57 NC(C(=O)O)C[Si](C)(C)C 1P028409 [0,2,0,0,0,0|1,1,0]=4 1864 B9R0.57 N[C@@H](C(=O)O)CC(C)(C)C 1P0032VI [0,2,0,0,0,0|1,0,1]=4 1865 B9R0.57 N[C@H](C(=O)O)CC(C)(C)C 1P003D1J [0,2,0,0,0,0|1,0,1]=4 1866 B9R0.57 N[C@H](C(=O)O)CC(C)(C)C 1P0286IT [0,2,0,0,0,0|1,0,1]=4 1867 B9R0.57 N[C@H](C(=O)O)CC(F)(C)C 1P00G494 [0,2,0,0,0,0|1,0,1]=4 1868 B9R0.57 O=C(O)[C@@H](N)C[Si](C)(C)C 1P01KHLD [0,2,0,0,0,0|1,1,0]=4 1869 B9R0.57 OC(=O)C(=C)CS(=O)(=O)C 1P021ZWX [0,2,0,0,0,0|1,0,1]=4 1870 B9R0.57 OC(=O)C(CP(=O)(C)C)N 1P0284Q5 [0,2,0,0,0,0|1,0,0]=3 1871 B9R0.57 OC(=O)C(CP(=O)(O)C)N 1P0288A0 [0,2,0,0,0,0|1,0,0]=3 1872 B9R0.57 OC(=O)C(CP(=O)(O)O)N 1P00EK71 [0,2,0,0,0,0|2,0,0]=4 1873 B9R0.57 OC(=O)C(CP(=O)(O)O)O 1P0285IJ [0,2,0,0,0,0|2,0,0]=4 1874 B9R0.57 OC(=O)C(CS(=O)(=O)C)C 1P019TYK [0,2,0,0,0,0|1,0,0]=3 1875 B9R0.57 OC(=O)C(CS(=O)(=O)F)C 1P027UM7 [0,2,0,0,0,0|2,0,0]=4 1876 B9R0.57 OC(=O)C(CS(=O)(=O)N)N 1P01QQMJ [0,2,0,0,0,0|2,0,0]=4 1877 B9R0.57 OC(=O)C(CS(=O)(=O)O)O 1P01B1XS [0,2,0,0,0,0|2,0,0]=4 1878 B9R0.57 OC(=O)C(NS(=O)(=O)C)C 1P00GW4O [0,2,0,0,0,0|2,0,0]=4 1879 B9R0.57 OC(=O)[C@@H](OS(=O)(=O)C)C 1P006MFY [0,2,0,0,0,0|2,0,0]=4 1880 B9R0.57 OC(=O)[C@H](CS(=O)(=O)C)N 1P01B2KC [0,2,0,0,0,0|1,0,0]=3 1881 B9R0.57 OC(=O)[C@H](CS(=O)(=O)C)N 1P01BJE0 [0,2,0,0,0,0|1,0,0]=3 1882 B9R0.57 OC(=O)[C@H](CS(=O)(=O)N)N 1P007SW5 [0,2,0,0,0,0|2,0,0]=4 1883 B9R0.57 OC(=O)[C@H](CS(=O)(=O)O)N 1P000VSO [0,2,0,0,0,0|2,0,0]=4 1884 B9R0.57 OC(=O)[C@H](CS(=O)(=O)O)N 1P002O2W [0,2,0,0,0,0|2,0,0]=4 1885 B9R0.57 OC(C(=O)O)CC(C)(C)C 1P006TTC [0,2,0,0,0,0|1,0,1]=4 1886 B9R0.79 BrC(C(C(=O)O)Br)C(=O)O 1P003BKH [0,2,0,0,0,0|1,0,0]=3 1887 B9R0.79 Br[C@@H]([C@@H](C(=O)O)Br)C(=O)O 1P01FGG8 [0,2,0,0,0,0|1,0,0]=3 1888 B9R0.79 Br[C@H]([C@@H](C(=O)O)Br)C(=O)O 1P003RXZ [0,2,0,0,0,0|1,0,0]=3 1889 B9R0.79 CC(C(C(C(=O)O)C)O)C 1P0291EG [0,2,0,0,0,0|1,0,1]=4 1890 B9R0.79 CC(C(C(C(=O)O)N)C)C 1P01AG6A [0,2,0,0,0,0|1,0,1]=4 1891 B9R0.79 CC(C(C(C(=O)O)N)C)C 1P028O9Y [0,2,0,0,0,0|1,0,1]=4 1892 B9R0.79 CC(C(C(C(=O)O)N)O)C 1P00FUN1 [0,2,0,0,0,0|1,0,1]=4 1893 B9R0.79 CC(C(C(C(=O)O)O)O)C 1P028OZZ [0,2,0,0,0,0|1,0,1]=4 1894 B9R0.79 CC(C([C@@H](C(=O)O)N)F)C 1P01FIWR [0,2,0,0,0,0|1,0,1]=4 1895 B9R0.79 CC([C@@H]([C@@H](C(=O)O)N)C)O 1P003M06 [0,2,0,0,0,0|0,0,2]=4 1896 B9R0.79 CC([C@@H]([C@@H](C(=O)O)N)O)C 1P00051U [0,2,0,0,0,0|1,0,1]=4 1897 B9R0.79 CC([C@@H]([C@H](C(=O)O)C)O)C 1P00LU0B [0,2,0,0,0,0|1,0,1]=4 1898 B9R0.79 CC([C@@H]([C@H](C(=O)O)N)O)C 1P004GUQ [0,2,0,0,0,0|1,0,1]=4 1899 B9R0.79 CC([C@H]([C@@H](C(=O)O)N)O)C 1P00051T [0,2,0,0,0,0|1,0,1]=4 1900 B9R0.79 C[C@@H]([C@@H]([C@@H](C(=O)O)N)C)O 1P0037JJ [0,2,0,0,0,0|0,0,2]=4 1901 B9R0.79 C[C@H]([C@@H](C(=O)O)C)C(=O)O 1P00ED8C [0,2,0,0,0,0|1,0,0]=3 1902 B9R0.79 OC(=O)C(C(=C(C)C)C)N 1P028PZ1 [0,2,0,0,0,0|1,0,1]=4 1903 B9R0.79 OC(=O)C(C(C(=O)O)C)O 1P00VV54 [0,2,0,0,0,0|1,0,0]=3 1904 B9R0.79 OC(=O)[C@@H]([C@@H](C(=O)O)N)O 1P01EKJH [0,2,0,0,0,0|1,0,0]=3 1905 B9R0.79 OC(=O)[C@@H]([C@H](C(=O)O)O)O 1P002V5G [0,2,0,0,0,0|1,0,0]=3 1906 B9R0.79 OC(=O)[C@@H]([C@H](C(=O)O)O)O 1P003HM9 [0,2,0,0,0,0|1,0,0]=3 1907 B9R0.79 OC(=O)[C@H](C(C(=O)O)C)N 1P002Z6M [0,2,0,0,0,0|1,0,0]=3 1908 B9R0.79 OC(=O)[C@H]([C@@H](C(=O)O)N)O 1P00C023 [0,2,0,0,0,0|1,0,0]=3 1909 B9R0.79 OC(=O)[C@H]([C@@H](C(=O)O)O)O 1P005YTQ [0,2,0,0,0,0|1,0,0]=3 1910 B9R0.79 OC(=O)[C@H]([C@@H](C(=O)O)O)O 1P01DNXQ [0,2,0,0,0,0|1,0,0]=3 1911 B9R0.79 OC(=O)[C@H]([C@@H](C(=O)O)O)O 1P024HNH [0,2,0,0,0,0|1,0,0]=3 1912 B9R0.79 OC(=O)[C@H]([C@H](C(=O)O)C)O 1P01DX6B [0,2,0,0,0,0|1,0,0]=3 1913 B9R0.79 OC(C(C(=O)O)O)C(=O)O 1P00DLWR [0,2,0,0,0,0|1,0,0]=3 1914 B9R0.79 OC(C(C(=O)[O-])O)C(=O)[O-] 1P002YUI [0,2,0,0,0,0|1,0,1]=4 1915 B9R0.79 OC(C(C(=O)[O-])O)C(=O)[O-] 1P0038KE [0,2,0,0,0,0|1,0,1]=4 1916 B9R0.79 OC(C(C(=O)[O-])O)C(=O)[O-] 1P003OBR [0,2,0,0,0,0|1,0,1]=4 1917 B9R0.79 OC(C(C(=O)[O-])O)C(=O)[O-] 1P003PK1 [0,2,0,0,0,0|1,0,1]=4 1918 B9R0.79 OC(C(C(=O)[O-])O)C(=O)[O-] 1P003RPU [0,2,0,0,0,0|1,0,1]=4 1919 B9R0.79 OC(C(C(=O)[O-])O)C(=O)[O-] 1P004JGE [0,2,0,0,0,0|1,0,1]=4 1920 B9R0.79 OC(C(C(=O)[O-])O)C(=O)[O-] 1P006IET [0,2,0,0,0,0|1,0,1]=4 1921 B9R0.79 OC(C(C(=O)[O-])O)C(=O)[O-] 1P007W35 [0,2,0,0,0,0|1,0,1]=4 1922 B9R0.79 OC(C(C(=O)[O-])O)C(=O)[O-] 1P00G55X [0,2,0,0,0,0|1,0,1]=4 1923 B9R0.79 OC(C(C(=O)[O-])O)C(=O)[O-] 1P00IB9I [0,2,0,0,0,0|1,0,1]=4 1924 B9R0.79 O[C@@H](C(=O)O)[C@H](C(=O)O)O 1P01FWNT [0,2,0,0,0,0|1,0,0]=3 1925 B9R0.79 O[C@@H]([C@@H](C(=O)O)O)C(=O)O 1P0011XZ [0,2,0,0,0,0|1,0,0]=3 1926 B9R0.79 O[C@@H]([C@@H](C(=O)O)O)C(=O)O 1P003BZ6 [0,2,0,0,0,0|1,0,0]=3 1927 B9R0.79 O[C@@H]([C@@H](C(=O)O)O)C(=O)O 1P003PO9 [0,2,0,0,0,0|1,0,0]=3 1928 B9R0.79 O[C@H]([C@@H](C(=O)O)O)C(=O)O 1P003RY2 [0,2,0,0,0,0|1,0,0]=3 1929 B9R0.79 O[C@H]([C@@H](C(=O)[O-])O)C(=O)[O-] 1P003P4U [0,2,0,0,0,0|1,0,1]=4 1930 B9R0.79 O[C@H]([C@H](C(=O)O)O)C(=O)O 1P003BWT [0,2,0,0,0,0|1,0,0]=3 1931 B9R0.79 O[C@H]([C@H](C(=O)O)O)C(=O)O 1P00IDNI [0,2,0,0,0,0|1,0,0]=3 1932 B9R0.79 O[C@H]([C@H](C(=O)O)O)C(=O)O 1P00IERQ [0,2,0,0,0,0|1,0,0]=3 1933 B9R0.79 O[C@H]([C@H](C(=O)[O-])O)C(=O)[O-] 1P0035ZF [0,2,0,0,0,0|1,0,1]=4 1934 B9R0.79 O[C@H]([C@H](C(=O)[O-])O)C(=O)[O-] 1P00IB91 [0,2,0,0,0,0|1,0,1]=4 1935 B9R0.79 S[C@H]([C@@H](C(=O)O)S)C(=O)O 1P0030GL [0,2,0,0,0,0|1,0,0]=3 1936 B9R0.79 [O-]C(=O)C(C(C(=O)O)O)O 1P008EID [0,2,0,0,0,0|1,0,0]=3 1937 B9R0.79 [O-]C(=O)C(C(C(=O)O)O)O 1P008FBZ [0,2,0,0,0,0|1,0,0]=3 1938 B9R0.79 [O-]C(=O)C(C(C(=O)O)O)O 1P00IBAU [0,2,0,0,0,0|1,0,0]=3 1939 B9R0.79 [O-]C(=O)[C@@H]([C@H](C(=O)O)O)O 1P003230 [0,2,0,0,0,0|1,0,0]=3 1940 B9R0.79 [O-]C(=O)[C@@H]([C@H](C(=O)O)O)O 1P00327H [0,2,0,0,0,0|1,0,0]=3 1941 B9R0.79 [O-]C(=O)[C@@H]([C@H](C(=O)O)O)O 1P00I9VH [0,2,0,0,0,0|1,0,0]=3 1942 B9R0.79 [O-]C(C(C(=O)[O-])[O-])C(=O)[O-] 1P01DE39 [0,2,0,0,0,0|1,0,1]=4 1943 B7R1.2 BrC1=CC(=O)CC1 1P01DIGH [1,0,0,1,0,0|1,0,1]=4 1944 B7R1.2 C=C1CCC(=O)O1 1P0001BH [1,0,0,1,0,0|0,0,1]=3 1945 B7R1.2 CC1=CC(=O)CC1 1P002ULZ [1,0,0,1,0,0|1,0,0]=3 1946 B7R1.2 CC1=CC(=O)OC1 1P003M8M [1,0,0,1,0,0|2,0,0]=4 1947 B7R1.2 CC1=CCC(=O)O1 1P001512 [1,0,0,1,0,0|0,0,1]=3 1948 B7R1.2 CC1CCC(=O)C1 1P0021LM [1,0,0,1,0,0|1,0,1]=4 1949 B7R1.2 CC1CCC(=O)N1 1P0034RL [1,0,0,1,0,0|1,0,1]=4 1950 B7R1.2 CC1CCC(=O)O1 1P0035FE [1,0,0,1,0,0|0,0,1]=3 1951 B7R1.2 CC1CNC(=O)O1 1P007BAB [1,0,0,1,0,0|1,0,1]=4 1952 B7R1.2 CC1COC(=O)O1 1P0035ZW [1,0,0,1,0,0|1,0,1]=4 1953 B7R1.2 CN1CCC(=O)C1 1P00G7GN [1,0,0,1,0,0|2,0,0]=4 1954 B7R1.2 CN1CCC(=O)C1 1P00IC9G [1,0,0,1,0,0|2,0,0]=4 1955 B7R1.2 CN1CCC(=O)N1 1P0007PB [1,0,0,1,0,0|2,0,0]=4 1956 B7R1.2 C[C@@H]1CCC(=O)C1 1P003CMA [1,0,0,1,0,0|1,0,1]=4 1957 B7R1.2 C[C@@H]1CCC(=O)N1 1P00731A [1,0,0,1,0,0|1,0,1]=4 1958 B7R1.2 C[C@@H]1CCC(=O)O1 1P00IAXM [1,0,0,1,0,0|0,0,1]=3 1959 B7R1.2 C[C@@H]1CNC(=O)O1 1P00HCN8 [1,0,0,1,0,0|1,0,1]=4 1960 B7R1.2 C[C@@H]1COC(=O)O1 1P001WYA [1,0,0,1,0,0|1,0,1]=4 1961 B7R1.2 C[C@H]1CCC(=O)C1 1P00H79H [1,0,0,1,0,0|1,0,1]=4 1962 B7R1.2 C[C@H]1CCC(=O)N1 1P001OOA [1,0,0,1,0,0|1,0,1]=4 1963 B7R1.2 C[C@H]1CCC(=O)O1 1P01A6OX [1,0,0,1,0,0|0,0,1]=3 1964 B7R1.2 C[C@H]1COC(=O)O1 1P0032OB [1,0,0,1,0,0|1,0,1]=4 1965 B7R1.2 Cc1n[nH]c(=O)o1 1P00385H [1,0,0,1,0,0|2,0,0]=4 1966 B7R1.2 Cc1nsc(=O)o1 1P01A4NH [1,0,0,1,0,0|2,0,0]=4 1967 B7R1.2 ClC1=CC(=O)CC1 1P00DQD8 [1,0,0,1,0,0|1,0,1]=4 1968 B7R1.2 IC1=CC(=O)CC1 1P00EZK7 [1,0,0,1,0,0|1,0,1]=4 1969 B7R1.2 NC1=CC(=O)CC1 1P002W78 [1,0,0,1,0,0|1,0,1]=4 1970 B7R1.2 O=C1C=CC(=O)C1 1P003LQK [1,0,0,1,0,0|0,0,2]=4 1971 B7R1.2 O=C1C=CC(=O)O1 1P0035KZ [1,0,0,1,0,0|0,0,2]=4 1972 B7R1.2 O=C1C=CC(=O)O1 1P01G8TR [1,0,0,1,0,0|0,0,2]=4 1973 B7R1.2 O=C1CC=C(O1)C 1P0035K2 [1,0,0,1,0,0|0,0,1]=3 1974 B7R1.2 O=C1CCC(=O)C1 1P003322 [1,0,0,1,0,0|0,0,0]=2 1975 B7R1.2 O=C1CCC(=O)N1 1P000KDP [1,0,0,1,0,0|1,0,0]=3 1976 B7R1.2 O=C1CCC(=O)O1 1P003636 [1,0,0,1,0,0|0,0,0]=2 1977 B7R1.2 O=C1CN=C(O1)C 1P002OPR [1,0,0,1,0,0|1,0,0]=3 1978 B7R1.2 O=C1COC(=C1)C 1P00CL5L [1,0,0,1,0,0|2,0,0]=4 1979 B7R1.2 O=C1NCC(=O)C1 1P00C7BV [1,0,0,1,0,0|1,0,0]=3 1980 B7R1.2 O=C1NCC(=O)N1 1P003RF2 [1,0,0,1,0,0|2,0,0]=4 1981 B7R1.2 O=C1NCC(=O)O1 1P003TZB [1,0,0,1,0,0|1,0,0]=3 1982 B7R1.2 O=C1NNC(=O)C1 1P00DL5J [1,0,0,1,0,0|2,0,0]=4 1983 B7R1.2 O=C1OCC(=O)C1 1P003V89 [1,0,0,1,0,0|1,0,0]=3 1984 B7R1.2 O=C1OCC(=O)O1 1P01HE65 [1,0,0,1,0,0|1,0,0]=3 1985 B7R1.2 O=C1OCC(=O)[N-]1 1P01C0SH [1,0,0,1,0,0|2,0,0]=4 1986 B7R1.2 O=C1SCC(=O)N1 1P002M4B [1,0,0,1,0,0|2,0,0]=4 1987 B7R1.2 O=C1SCC(=O)[N-]1 1P019OCG [1,0,0,1,0,0|2,0,0]=4 1988 B7R1.2 OC1=CC(=O)CC1 1P00EEEL [1,0,0,1,0,0|0,0,1]=3 1989 B7R1.2 OC1=CC(=O)NC1 1P00DCWO [1,0,0,1,0,0|1,0,1]=4 1990 B7R1.2 OC1=CC(=O)OC1 1P0034IY [1,0,0,1,0,0|1,0,1]=4 1991 B7R1.2 OC1CC(=O)NC1 1P00BFR9 [1,0,0,1,0,0|1,0,1]=4 1992 B7R1.2 OC1CC(=O)OC1 1P003BUD [1,0,0,1,0,0|1,0,1]=4 1993 B7R1.2 OC1CCC(=O)C1 1P0038LJ [1,0,0,1,0,0|0,0,1]=3 1994 B7R1.2 OC1CCC(=O)O1 1P01HSO8 [1,0,0,1,0,0|0,0,2]=4 1995 B7R1.2 O[C@@H]1CC(=O)NC1 1P003BFG [1,0,0,1,0,0|1,0,1]=4 1996 B7R1.2 O[C@@H]1CC(=O)OC1 1P003CQZ [1,0,0,1,0,0|1,0,1]=4 1997 B7R1.2 O[C@H]1CC(=O)NC1 1P0032XY [1,0,0,1,0,0|1,0,1]=4 1998 B7R1.2 O[C@H]1CC(=O)OC1 1P005F8J [1,0,0,1,0,0|1,0,1]=4 1999 B7R1.3 C=C1CCCOC1 1P004I6X [1,0,0,1,0,0|1,0,1]=4 2000 B7R1.3 O=C1CCC=CN1 1P01BJJF [1,0,0,1,0,0|1,0,1]=4 2001 B7R1.3 O=C1CCCCN1 1P0033W9 [1,0,0,1,0,0|1,0,1]=4 2002 B7R1.3 O=C1CCCCO1 1P00IA55 [1,0,0,1,0,0|0,0,1]=3 2003 B7R1.3 O=C1CCCCS1 1P0001ZA [1,0,0,1,0,0|0,1,1]=4 2004 B7R1.3 O=C1CCCNC1 1P0037UG [1,0,0,1,0,0|1,0,1]=4 2005 B7R1.3 O=C1CCCNC1 1P024HTU [1,0,0,1,0,0|1,0,1]=4 2006 B7R1.3 O=C1CCCOC1 1P002NSO [1,0,0,1,0,0|0,0,1]=3 2007 B7R1.3 O=C1CCCSC1 1P002FDM [1,0,0,1,0,0|0,1,1]=4 2008 B7R1.3 O=C1CCNCC1 1P0034LQ [1,0,0,1,0,0|2,0,0]=4 2009 B7R1.3 O=C1CCNCC1 1P0036K5 [1,0,0,1,0,0|2,0,0]=4 2010 B7R1.3 O=C1CCNCC1 1P00BYCB [1,0,0,1,0,0|2,0,0]=4 2011 B7R1.3 O=C1CCOCC1 1P0034LC [1,0,0,1,0,0|2,0,0]=4 2012 B7R1.3 O=C1CCSCC1 1P003V5X [1,0,0,1,0,0|2,0,0]=4 2013 B7R1.3 O=C1CNCCO1 1P00DJZ1 [1,0,0,1,0,0|1,0,1]=4 2014 B7R1.3 O=C1COCCN1 1P003K2V [1,0,0,1,0,0|1,0,1]=4 2015 B7R1.3 O=C1COCCO1 1P0030I9 [1,0,0,1,0,0|1,0,1]=4 2016 B7R1.3 O=C1NCCCO1 1P003E20 [1,0,0,1,0,0|1,0,1]=4 2017 B7R1.3 O=C1OCCCO1 1P002OWF [1,0,0,1,0,0|1,0,1]=4 2018 B7R1.7 O=CCCC1CC1 1P00DKQ3 [1,0,0,1,0,0|1,0,1]=4 2019 B7R1.10 BrCC1CC(=O)C1 1P00DQGD [1,0,0,1,0,0|1,0,1]=4 2020 B7R1.10 BrCC1CC(=O)O1 1P01B5S1 [1,0,0,1,0,0|1,0,1]=4 2021 B7R1.10 C#CC1CC(=O)C1 1P027WHF [1,0,0,1,0,0|1,0,1]=4 2022 B7R1.10 C=CC1CC(=O)C1 1P00H7U7 [1,0,0,1,0,0|1,0,0]=3 2023 B7R1.10 C=CC1CC(=O)N1 1P005H50 [1,0,0,1,0,0|1,0,1]=4 2024 B7R1.10 CCC1CC(=O)C1 1P00EUCH [1,0,0,1,0,0|1,0,1]=4 2025 B7R1.10 COC1CC(=O)C1 1P0031WV [1,0,0,1,0,0|2,0,0]=4 2026 B7R1.10 CSC1CC(=O)C1 1P01C0J1 [1,0,0,1,0,0|2,0,0]=4 2027 B7R1.10 ClCC1CC(=O)C1 1P0020KN [1,0,0,1,0,0|1,0,1]=4 2028 B7R1.10 FCC1CC(=O)C1 1P018JAY [1,0,0,1,0,0|1,0,1]=4 2029 B7R1.10 N#CC1CC(=O)C1 1P0028QC [1,0,0,1,0,0|1,0,1]=4 2030 B7R1.10 NCC1CC(=O)C1 1P001H61 [1,0,0,1,0,0|1,0,1]=4 2031 B7R1.10 O=CC1CC(=C)C1 1P00925S [1,0,0,1,0,0|1,0,0]=3 2032 B7R1.10 O=C[C@@H]1C[C@H](C1)F 1P028286 [1,0,0,1,0,0|1,0,1]=4 2033 B7R1.10 OCC1CC(=C)C1 1P01C3J9 [1,0,0,1,0,0|1,0,1]=4 2034 B7R1.10 OCC1CC(=O)C1 1P00288D [1,0,0,1,0,0|0,0,1]=3 2035 B7R1.10 OCC1CC(=O)N1 1P00FCZO [1,0,0,1,0,0|1,0,1]=4 2036 B7R1.10 OC[C@@H]1CC(=O)N1 1P01DEBM [1,0,0,1,0,0|1,0,1]=4 2037 B7R1.10 OC[C@H]1CC(=O)N1 1P01DE90 [1,0,0,1,0,0|1,0,1]=4 2038 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1P0286F6 [1,0,0,1,0,0|1,0,1]=4 2039 B7R1.12 CC1=CC1C(=O)O 1P01A35R [1,0,0,1,0,0|0,0,1]=3 2040 B7R1.12 CC1CC1C(=O)C 1P01ALPC [1,0,0,1,0,0|1,0,1]=4 2041 B7R1.12 CC1CC1C(=O)Cl 1P00EII7 [1,0,0,1,0,0|1,0,1]=4 2042 B7R1.12 CC1CC1C(=O)N 1P00GA8W [1,0,0,1,0,0|1,0,1]=4 2043 B7R1.12 CC1CC1C(=O)O 1P002Z71 [1,0,0,1,0,0|0,0,1]=3 2044 B7R1.12 CC1CC1C(=O)O 1P00EK9C [1,0,0,1,0,0|0,0,1]=3 2045 B7R1.12 C[C@@H]1C[C@@H]1C(=O)C 1P028NP2 [1,0,0,1,0,0|1,0,1]=4 2046 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 1P00BJDC [1,0,0,1,0,0|0,0,1]=3 2047 B7R1.12 C[C@@H]1C[C@H]1C(=O)C 1P028MO8 [1,0,0,1,0,0|1,0,1]=4 2048 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 1P00ELZP [1,0,0,1,0,0|0,0,1]=3 2049 B7R1.12 C[C@@H]1O[C@H]1C(=O)O 1P01B6TE [1,0,0,1,0,0|1,0,1]=4 2050 B7R1.12 C[C@H]1C[C@@H]1C(=O)C 1P028O3I [1,0,0,1,0,0|1,0,1]=4 2051 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 1P00ARLC [1,0,0,1,0,0|0,0,1]=3 2052 B7R1.12 C[C@H]1C[C@H]1C(=O)C 1P028FLW [1,0,0,1,0,0|1,0,1]=4 2053 B7R1.12 C[C@H]1C[C@H]1C(=O)O 1P002ZI0 [1,0,0,1,0,0|0,0,1]=3 2054 B7R1.12 F[C@H]1C[C@@H]1C(=O)O 1P009DKG [1,0,0,1,0,0|1,0,1]=4 2055 B7R1.12 F[C@H]1C[C@H]1C(=O)O 1P00HB72 [1,0,0,1,0,0|1,0,1]=4 2056 B7R1.12 OC(=O)C1CC1=C 1P01AELS [1,0,0,1,0,0|0,0,1]=3 2057 B7R1.12 OC(=O)C1CC1F 1P001PI5 [1,0,0,1,0,0|1,0,1]=4 2058 B7R1.12 OC(=O)[C@@H]1C[C@@H]1F 1P000X7B [1,0,0,1,0,0|1,0,1]=4 2059 B7R1.12 OC(=O)[C@@H]1C[C@@H]1I 1P01JUSO [1,0,0,1,0,0|1,0,1]=4 2060 B7R1.12 OC(=O)[C@@H]1C[C@H]1Cl 1P028JBO [1,0,0,1,0,0|1,0,1]=4 2061 B7R1.12 OC(=O)[C@@H]1C[C@H]1F 1P001XKM [1,0,0,1,0,0|1,0,1]=4 2062 B7R1.12 OC(=O)[C@H]1C[C@@H]1Br 1P028QME [1,0,0,1,0,0|1,0,1]=4 2063 B7R1.12 OC(=O)[C@H]1C[C@@H]1F 1P001XKL [1,0,0,1,0,0|1,0,1]=4 2064 B7R1.12 OC(=O)[C@H]1C[C@H]1F 1P000X7C [1,0,0,1,0,0|1,0,1]=4 2065 B7R1.12 OC(=O)[C@H]1C[C@H]1I 1P00182G [1,0,0,1,0,0|1,0,1]=4 2066 B7R1.17 O=C1CCC1(C)C 1P000PMW [1,0,0,1,0,0|1,0,1]=4 2067 B7R1.18 CC(=O)C1CCC1 1P003PKG [1,0,0,1,0,0|1,0,1]=4 2068 B7R1.18 CC(=O)C1CNC1 1P00A20O [1,0,0,1,0,0|2,0,0]=4 2069 B7R1.18 CC(=O)C1COC1 1P01DY8T [1,0,0,1,0,0|2,0,0]=4 2070 B7R1.18 CC(=O)C1CSC1 1P01E9GS [1,0,0,1,0,0|2,0,0]=4 2071 B7R1.18 ClC(=O)C1CCC1 1P00353Y [1,0,0,1,0,0|1,0,1]=4 2072 B7R1.18 NC(=O)C1CCC1 1P001MYW [1,0,0,1,0,0|1,0,1]=4 2073 B7R1.18 NC(=O)C1CNC1 1P000N1N [1,0,0,1,0,0|2,0,0]=4 2074 B7R1.18 NC(=O)C1CNC1 1P008PMO [1,0,0,1,0,0|2,0,0]=4 2075 B7R1.18 NC(=O)C1COC1 1P01DGLG [1,0,0,1,0,0|2,0,0]=4 2076 B7R1.18 OC(=O)C1CCC1 1P00353Z [1,0,0,1,0,0|0,0,1]=3 2077 B7R1.18 OC(=O)C1CCN1 1P002R80 [1,0,0,1,0,0|1,0,1]=4 2078 B7R1.18 OC(=O)C1CCO1 1P0036EM [1,0,0,1,0,0|0,0,2]=4 2079 B7R1.18 OC(=O)C1CNC1 1P0008FD [1,0,0,1,0,0|1,0,0]=3 2080 B7R1.18 OC(=O)C1CNC1 1P003429 [1,0,0,1,0,0|1,0,0]=3 2081 B7R1.18 OC(=O)C1COC1 1P000AR0 [1,0,0,1,0,0|1,0,0]=3 2082 B7R1.18 OC(=O)C1CSC1 1P005KXP [1,0,0,1,0,0|1,0,0]=3 2083 B7R1.18 OC(=O)[C@@H]1CCN1 1P003827 [1,0,0,1,0,0|1,0,1]=4 2084 B7R1.18 OC(=O)[C@@H]1CCO1 1P01JUQJ [1,0,0,1,0,0|0,0,2]=4 2085 B7R1.18 OC(=O)[C@H]1CCN1 1P005DGN [1,0,0,1,0,0|1,0,1]=4 2086 B7R1.18 OC(=O)[C@H]1CCN1 1P00EIWE [1,0,0,1,0,0|1,0,1]=4 2087 B7R1.18 OC(=O)[C@H]1CCO1 1P01JUNT [1,0,0,1,0,0|0,0,2]=4 2088 B7R1.20 CC(=O)CC1CC1 1P0037WP [1,0,0,1,0,0|1,0,1]=4 2089 B7R1.20 ClC(=O)CC1CC1 1P00DCW4 [1,0,0,1,0,0|1,0,1]=4 2090 B7R1.20 NC(=O)CC1CC1 1P0086XZ [1,0,0,1,0,0|1,0,1]=4 2091 B7R1.20 OC(=O)CC1CC1 1P00395B [1,0,0,1,0,0|0,0,1]=3 2092 B7R1.20 OC(=O)CC1CO1 1P01DYAP [1,0,0,1,0,0|1,0,0]=3 2093 B7R1.23 CC1(Br)CC1C=O 1P01BW75 [1,0,0,1,0,0|1,0,1]=4 2094 B7R1.23 O=CC1CC1(C)C 1P002S7I [1,0,0,1,0,0|1,0,1]=4 2095 B7R1.23 O=C[C@H]1CC1(C)C 1P01C9FL [1,0,0,1,0,0|1,0,1]=4 2096 B7R1.16 O=C1CS(=O)(=O)C1 1P001RZA [0,0,0,1,1,0|1,0,1]=4 2097 B9R1.35 BrC1CCC(C1)C(=O)O 1P01DTVB [0,0,0,1,0,1|1,0,1]=4 2098 B9R1.35 CC(C1CCC(=O)O1)O 1P00CEV5 [0,0,0,1,0,1|0,0,2]=4 2099 B9R1.35 CC(C1CNC(=O)O1)C 1P018SIK [0,0,0,1,0,1|1,0,1]=4 2100 B9R1.35 CC1=CC(SC1)C(=O)O 1P027XXJ [0,0,0,1,0,1|1,0,0]=3 2101 B9R1.35 CC1=NC(CC1)C(=O)O 1P00J6P6 [0,0,0,1,0,1|1,0,0]=3 2102 B9R1.35 CC1=NO[C@@H](C1)C(=O)O 1P00DD84 [0,0,0,1,0,1|2,0,0]=4 2103 B9R1.35 CC1=N[C@@H](CC1)C(=O)O 1P0286OA [0,0,0,1,0,1|1,0,0]=3 2104 B9R1.35 CC1CCC(=C1)C(=O)O 1P01A00Q [0,0,0,1,0,1|1,0,1]=4 2105 B9R1.35 CC1CCC(C1)C(=O)O 1P00BFWE [0,0,0,1,0,1|1,0,1]=4 2106 B9R1.35 CC1CCC(O1)C(=O)O 1P01A08O [0,0,0,1,0,1|0,0,2]=4 2107 B9R1.35 CC1CCC(S1)C(=O)O 1P01A3XY [0,0,0,1,0,1|0,1,1]=4 2108 B9R1.35 CC1NC(CS1)C(=O)O 1P00CA8C [0,0,0,1,0,1|1,0,1]=4 2109 B9R1.35 CC1OCC(C1)C(=O)O 1P01AGK8 [0,0,0,1,0,1|1,0,1]=4 2110 B9R1.35 CN1CCC(C1)C(=O)O 1P003EZM [0,0,0,1,0,1|2,0,0]=4 2111 B9R1.35 CN1CCC(C1)C(=O)O 1P00DIBI [0,0,0,1,0,1|2,0,0]=4 2112 B9R1.35 CN1CC[C@@H](C1)C(=O)O 1P003AOS [0,0,0,1,0,1|2,0,0]=4 2113 B9R1.35 CN1CC[C@@H](C1)C(=O)O 1P027TU4 [0,0,0,1,0,1|2,0,0]=4 2114 B9R1.35 CN1CC[C@H](C1)C(=O)O 1P00IJCM [0,0,0,1,0,1|2,0,0]=4 2115 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O 1P00ILRT [0,0,0,1,0,1|1,0,1]=4 2116 B9R1.35 C[C@@H]1C[C@H](NC1)C(=O)O 1P00BICG [0,0,0,1,0,1|1,0,1]=4 2117 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O 1P00ILRW [0,0,0,1,0,1|1,0,1]=4 2118 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O 1P00FBCG [0,0,0,1,0,1|1,0,1]=4 2119 B9R1.35 FC1CCC(C1)C(=O)O 1P00HYAH [0,0,0,1,0,1|1,0,1]=4 2120 B9R1.35 NC1=NC(CC1)C(=O)O 1P01A7A3 [0,0,0,1,0,1|2,0,0]=4 2121 B9R1.35 NC1=NC(CS1)C(=O)O 1P00I4MP [0,0,0,1,0,1|2,0,0]=4 2122 B9R1.35 NC1CCC(C1)C(=O)O 1P003AA8 [0,0,0,1,0,1|1,0,1]=4 2123 B9R1.35 NC1CCC(C1)C(=O)O 1P003JE7 [0,0,0,1,0,1|1,0,1]=4 2124 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O 1P002F03 [0,0,0,1,0,1|1,0,1]=4 2125 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O 1P005Q45 [0,0,0,1,0,1|1,0,1]=4 2126 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O 1P0039RV [0,0,0,1,0,1|1,0,1]=4 2127 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O 1P00ADHG [0,0,0,1,0,1|1,0,1]=4 2128 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O 1P024HKR [0,0,0,1,0,1|1,0,1]=4 2129 B9R1.35 N[C@@H]1C[C@@H](NC1)C(=O)O 1P01XCO6 [0,0,0,1,0,1|1,0,1]=4 2130 B9R1.35 N[C@@H]1C[C@H](NC1)C(=O)O 1P00AM3G [0,0,0,1,0,1|1,0,1]=4 2131 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O 1P01FSS9 [0,0,0,1,0,1|1,0,1]=4 2132 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O 1P001FNY [0,0,0,1,0,1|1,0,1]=4 2133 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O 1P005Q44 [0,0,0,1,0,1|1,0,1]=4 2134 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O 1P00DIB8 [0,0,0,1,0,1|1,0,1]=4 2135 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O 1P00AMYG [0,0,0,1,0,1|1,0,1]=4 2136 B9R1.35 N[C@H]1C[C@@H](NC1)C(=O)O 1P002TAD [0,0,0,1,0,1|1,0,1]=4 2137 B9R1.35 N[C@H]1C[C@H](NC1)C(=O)O 1P00AOGX [0,0,0,1,0,1|1,0,1]=4 2138 B9R1.35 O=C1CCC(=C1)C(=O)O 1P007D5E [0,0,0,1,0,1|0,0,1]=3 2139 B9R1.35 O=C1CCC(C1)C(=O)O 1P00348M [0,0,0,1,0,1|0,0,0]=2 2140 B9R1.35 O=C1CCC(N1)C(=O)N 1P00D9LW [0,0,0,1,0,1|2,0,0]=4 2141 B9R1.35 O=C1CCC(N1)C(=O)O 1P00IKGZ [0,0,0,1,0,1|1,0,0]=3 2142 B9R1.35 O=C1CCC(N1)C(=O)[O-] 1P00DELX [0,0,0,1,0,1|1,0,1]=4 2143 B9R1.35 O=C1CCC(O1)C(=O)C 1P002YPU [0,0,0,1,0,1|0,0,0]=2 2144 B9R1.35 O=C1CCC(O1)C(=O)O 1P00DC1X [0,0,0,1,0,1|1,0,0]=3 2145 B9R1.35 O=C1CCC(S1)C(=O)O 1P007POJ [0,0,0,1,0,1|1,0,0]=3 2146 B9R1.35 O=C1CCN(C1)C(=O)C 1P00CNPI [0,0,0,1,0,1|1,0,0]=3 2147 B9R1.35 O=C1CCN(C1)C(=O)Cl 1P028DQR [0,0,0,1,0,1|1,0,0]=3 2148 B9R1.35 O=C1CC[C@@H](C1)C(=O)O 1P003AS5 [0,0,0,1,0,1|0,0,0]=2 2149 B9R1.35 O=C1CC[C@@H](N1)C(=O)O 1P0032UR [0,0,0,1,0,1|1,0,0]=3 2150 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl 1P00DWRE [0,0,0,1,0,1|1,0,0]=3 2151 B9R1.35 O=C1CC[C@@H](O1)C(=O)O 1P0032VY [0,0,0,1,0,1|1,0,0]=3 2152 B9R1.35 O=C1CC[C@H](C1)C(=O)O 1P000UI7 [0,0,0,1,0,1|0,0,0]=2 2153 B9R1.35 O=C1CC[C@H](N1)C(=O)N 1P00HZJ6 [0,0,0,1,0,1|2,0,0]=4 2154 B9R1.35 O=C1CC[C@H](N1)C(=O)O 1P001LSP [0,0,0,1,0,1|1,0,0]=3 2155 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] 1P00BC4J [0,0,0,1,0,1|1,0,1]=4 2156 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl 1P00DHJR [0,0,0,1,0,1|1,0,0]=3 2157 B9R1.35 O=C1CC[C@H](O1)C(=O)O 1P003CY8 [0,0,0,1,0,1|1,0,0]=3 2158 B9R1.35 O=C1CNC(C1)C(=O)O 1P00IKI8 [0,0,0,1,0,1|0,0,0]=2 2159 B9R1.35 O=C1CN[C@@H](C1)C(=O)O 1P00DL64 [0,0,0,1,0,1|0,0,0]=2 2160 B9R1.35 O=C1COC(C1)C(=O)O 1P01EKEJ [0,0,0,1,0,1|0,0,0]=2 2161 B9R1.35 O=C1CSC(C1)C(=O)O 1P01DX9I [0,0,0,1,0,1|0,0,0]=2 2162 B9R1.35 O=C1NCC(C1)C(=O)N 1P001KF7 [0,0,0,1,0,1|1,0,0]=3 2163 B9R1.35 O=C1NCC(C1)C(=O)O 1P00FAQX [0,0,0,1,0,1|0,0,0]=2 2164 B9R1.35 O=C1NCC(N1)C(=O)O 1P0039CW [0,0,0,1,0,1|1,0,0]=3 2165 B9R1.35 O=C1NCC(O1)C(=O)O 1P018SD3 [0,0,0,1,0,1|1,0,0]=3 2166 B9R1.35 O=C1NCC(S1)C(=O)O 1P001L7F [0,0,0,1,0,1|1,0,0]=3 2167 B9R1.35 O=C1NC[C@@H](C1)C(=O)O 1P00I8Q9 [0,0,0,1,0,1|0,0,0]=2 2168 B9R1.35 O=C1NC[C@@H](N1)C(=O)O 1P00BV0Q [0,0,0,1,0,1|1,0,0]=3 2169 B9R1.35 O=C1NC[C@H](C1)C(=O)O 1P00326A [0,0,0,1,0,1|0,0,0]=2 2170 B9R1.35 O=C1NC[C@H](N1)C(=O)O 1P00CKQT [0,0,0,1,0,1|1,0,0]=3 2171 B9R1.35 O=C1NC[C@H](O1)C(=O)O 1P01AV38 [0,0,0,1,0,1|1,0,0]=3 2172 B9R1.35 O=C1NN=C(C1)C(=O)O 1P00FPE0 [0,0,0,1,0,1|1,0,1]=4 2173 B9R1.35 O=C1OCC(C1)C(=O)C 1P008PT7 [0,0,0,1,0,1|1,0,0]=3 2174 B9R1.35 O=C1OCC(C1)C(=O)O 1P01A1UB [0,0,0,1,0,1|0,0,0]=2 2175 B9R1.35 O=C1OCC(N1)C(=O)O 1P0088G1 [0,0,0,1,0,1|1,0,0]=3 2176 B9R1.35 O=C1OCC(O1)C(=O)O 1P028NUB [0,0,0,1,0,1|1,0,0]=3 2177 B9R1.35 O=C1OC[C@@H](N1)C(=O)O 1P01B735 [0,0,0,1,0,1|1,0,0]=3 2178 B9R1.35 O=C1OC[C@@H](O1)C(=O)O 1P02885N [0,0,0,1,0,1|1,0,0]=3 2179 B9R1.35 O=C1OC[C@H](N1)C(=O)O 1P0074SL [0,0,0,1,0,1|1,0,0]=3 2180 B9R1.35 O=C1SCC(C1)C(=O)O 1P002W3L [0,0,0,1,0,1|0,0,0]=2 2181 B9R1.35 O=C1SC[C@H](N1)C(=O)O 1P002BG2 [0,0,0,1,0,1|1,0,0]=3 2182 B9R1.35 OC(=O)[C@@H]1CSC(=S)N1 1P003CDF [0,0,0,1,0,1|1,1,0]=4 2183 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)Cl 1P028JLJ [0,0,0,1,0,1|1,0,1]=4 2184 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)F 1P0001IE [0,0,0,1,0,1|1,0,1]=4 2185 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)F 1P0032T5 [0,0,0,1,0,1|1,0,1]=4 2186 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)S 1P00G8ZQ [0,0,0,1,0,1|0,1,1]=4 2187 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)F 1P002QUC [0,0,0,1,0,1|1,0,1]=4 2188 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)F 1P00392O [0,0,0,1,0,1|1,0,1]=4 2189 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)S 1P00ILPJ [0,0,0,1,0,1|0,1,1]=4 2190 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)S 1P01K8E7 [0,0,0,1,0,1|0,1,1]=4 2191 B9R1.35 OC(=O)[C@H]1C[C@@H](CN1)F 1P000W42 [0,0,0,1,0,1|1,0,1]=4 2192 B9R1.35 OC(=O)[C@H]1C[C@@H](CN1)F 1P00HDBV [0,0,0,1,0,1|1,0,1]=4 2193 B9R1.35 OC(=O)[C@H]1C[C@H](CN1)F 1P00HYG2 [0,0,0,1,0,1|1,0,1]=4 2194 B9R1.35 OC1CCC(C1)C(=O)O 1P00045D [0,0,0,1,0,1|0,0,2]=4 2195 B9R1.35 OC1CCN(C1)C(=O)C 1P002MOY [0,0,0,1,0,1|1,0,1]=4 2196 B9R1.35 OC1CN[C@@H](C1)C(=O)O 1P005LO0 [0,0,0,1,0,1|0,0,2]=4 2197 B9R1.35 O[C@@H]1CCN(C1)C(=O)C 1P003COI [0,0,0,1,0,1|1,0,1]=4 2198 B9R1.35 O[C@@H]1CC[C@@H](C1)C(=O)O 1P007VPN [0,0,0,1,0,1|0,0,2]=4 2199 B9R1.35 O[C@@H]1CC[C@H](C1)C(=O)O 1P00DLKM [0,0,0,1,0,1|0,0,2]=4 2200 B9R1.35 O[C@@H]1CN[C@@H](C1)C(=O)O 1P0037J1 [0,0,0,1,0,1|0,0,2]=4 2201 B9R1.35 O[C@@H]1CN[C@@H](C1)C(=O)O 1P003CDR [0,0,0,1,0,1|0,0,2]=4 2202 B9R1.35 O[C@@H]1CN[C@H](C1)C(=O)O 1P0032SZ [0,0,0,1,0,1|0,0,2]=4 2203 B9R1.35 O[C@@H]1CN[C@H](C1)C(=O)O 1P003VEQ [0,0,0,1,0,1|0,0,2]=4 2204 B9R1.35 O[C@H]1CCN(C1)C(=O)C 1P003D0C [0,0,0,1,0,1|1,0,1]=4 2205 B9R1.35 O[C@H]1CC[C@@H](C1)C(=O)O 1P0095TY [0,0,0,1,0,1|0,0,2]=4 2206 B9R1.35 O[C@H]1CC[C@H](C1)C(=O)O 1P01DNL5 [0,0,0,1,0,1|0,0,2]=4 2207 B9R1.35 O[C@H]1CN[C@@H](C1)C(=O)O 1P00366L [0,0,0,1,0,1|0,0,2]=4 2208 B9R1.35 O[C@H]1CN[C@@H](C1)C(=O)O 1P00CM8S [0,0,0,1,0,1|0,0,2]=4 2209 B9R1.35 O[C@H]1CN[C@H](C1)C(=O)O 1P0039BL [0,0,0,1,0,1|0,0,2]=4 2210 B9R1.35 O[C@H]1CN[C@H](C1)C(=O)O 1P003PG0 [0,0,0,1,0,1|0,0,2]=4 2211 B9R1.35 [O-]C(=O)C1CSC(=N1)C 1P00AP3Q [0,0,0,1,0,1|1,0,1]=4 2212 B9R1.46 C[C@@H]1C[C@H]1CCC(=O)O 1P02888H [0,0,0,1,0,1|1,0,1]=4 2213 B9R1.49 O=C1CCCS(=O)CC1 1P01B34J [0,0,0,1,0,1|2,0,0]=4 2214 B9R1.49 O=C1CCNC(=O)CC1 1P00CLG3 [0,0,0,1,0,1|1,0,0]=3 2215 B9R1.53 CC(=O)CC1CC(=O)N1 1P00FKYT [0,0,0,1,0,1|1,0,0]=3 2216 B9R1.53 CC1CC(C1)CC(=O)O 1P01JUW8 [0,0,0,1,0,1|1,0,1]=4 2217 B9R1.53 CC1CN(C1)CC(=O)O 1P01ALYT [0,0,0,1,0,1|1,0,1]=4 2218 B9R1.53 CN1CC(C1)CC(=O)O 1P01C2IR [0,0,0,1,0,1|2,0,0]=4 2219 B9R1.53 FC1CC(C1)CC(=O)O 1P01DWAT [0,0,0,1,0,1|1,0,1]=4 2220 B9R1.53 NC1CC(C1)CC(=O)O 1P001DAW [0,0,0,1,0,1|1,0,1]=4 2221 B9R1.53 NC1CC(C1)CC(=O)O 1P01E84R [0,0,0,1,0,1|1,0,1]=4 2222 B9R1.53 NC1CN(C1)CC(=O)O 1P028SVN [0,0,0,1,0,1|1,0,1]=4 2223 B9R1.53 N[C@@H]1C[C@@H](C1)CC(=O)O 1P00HYGR [0,0,0,1,0,1|1,0,1]=4 2224 B9R1.53 N[C@@H]1C[C@H](C1)CC(=O)O 1P01JP7C [0,0,0,1,0,1|1,0,1]=4 2225 B9R1.53 O=C1CC(C1)OC(=O)C 1P00391A [0,0,0,1,0,1|1,0,0]=3 2226 B9R1.53 O=C1CC(C1)SC(=O)C 1P028C99 [0,0,0,1,0,1|1,0,0]=3 2227 B9R1.53 O=C1CC(N1)OC(=O)C 1P002W6B [0,0,0,1,0,1|1,0,0]=3 2228 B9R1.53 OC(=O)CC1CC(=C)C1 1P028OBH [0,0,0,1,0,1|1,0,0]=3 2229 B9R1.53 OC(=O)CC1CC(=O)C1 1P00HZ3I [0,0,0,1,0,1|0,0,0]=2 2230 B9R1.53 OC1CN(C1)CC(=O)O 1P0189MR [0,0,0,1,0,1|0,0,2]=4 2231 B9R1.53 O[C@@H]1C[C@@H](C1)CC(=O)O 1P020467 [0,0,0,1,0,1|0,0,2]=4 2232 B9R1.53 O[C@@H]1C[C@@H](C1)OC(=O)C 1P01RBXF [0,0,0,1,0,1|1,0,1]=4 2233 B9R1.53 O[C@@H]1C[C@H](C1)CC(=O)O 1P02045N [0,0,0,1,0,1|0,0,2]=4 2234 B9R1.53 O[C@@H]1C[C@H](C1)OC(=O)C 1P01KAFH [0,0,0,1,0,1|1,0,1]=4 2235 B9R1.53 SC1CC(C1)CC(=O)O 1P028T3L [0,0,0,1,0,1|0,1,1]=4 2236 B9R1.66 O=C1CCCC(O1)(C)C 1P002S4V [0,0,0,1,0,1|1,0,1]=4 2237 B9R1.66 O=C1CCCS(=O)(=O)C1 1P00CFOQ [0,0,0,1,0,1|1,0,1]=4 2238 B9R1.66 O=C1NCCS(=N1)(=O)C 1P028NYB [0,0,0,1,0,1|2,0,0]=4 2239 B9R1.66 O=C1NCCS(=O)(=O)C1 1P00J37M [0,0,0,1,0,1|1,0,1]=4 2240 B9R1.66 O=C1OCCC(C1)(C)O 1P003LZ1 [0,0,0,1,0,1|1,0,1]=4 2241 B9R1.85 OC(=O)CCCC1CC1 1P01AL1K [0,0,0,1,0,1|1,0,1]=4 2242 B9R1.85 OC(=O)CCNC1CC1 1P0028H4 [0,0,0,1,0,1|1,0,1]=4 2243 B9R1.85 OC(=O)CCNC1CC1 1P019L49 [0,0,0,1,0,1|1,0,1]=4 2244 B9R1.85 OC(=O)CCOC1CC1 1P01BJDX [0,0,0,1,0,1|1,0,1]=4 2245 B9R1.85 OC(=O)CNCC1CC1 1P00F21A [0,0,0,1,0,1|1,0,1]=4 2246 B9R1.85 OC(=O)CNCC1CC1 1P01AD98 [0,0,0,1,0,1|1,0,1]=4 2247 B9R1.85 OC(=O)COCC1CC1 1P00C2X4 [0,0,0,1,0,1|1,0,1]=4 2248 B9R1.85 OC(=O)CSCC1CC1 1P00J2CH [0,0,0,1,0,1|1,0,1]=4 2249 B9R1.161 CC(C1CC1C(=O)O)O 1P028OJL [0,0,0,1,0,1|0,0,2]=4 2250 B9R1.161 CC([C@@H]1C[C@H]1C(=O)O)N 1P028TPB [0,0,0,1,0,1|1,0,1]=4 2251 B9R1.161 NC(=O)C1CC1C(=O)O 1P00ICNA [0,0,0,1,0,1|1,0,0]=3 2252 B9R1.161 NC(=O)[C@H]1C[C@H]1C(=O)O 1P01EEOM [0,0,0,1,0,1|1,0,0]=3 2253 B9R1.161 OC(=O)C1CC1C(=O)O 1P001LR3 [0,0,0,1,0,1|1,0,0]=3 2254 B9R1.161 OC(=O)C1OC1C(=O)O 1P01FO76 [0,0,0,1,0,1|1,0,0]=3 2255 B9R1.161 OC(=O)[C@@H]1C[C@@H]1C(=O)O 1P00FGRG [0,0,0,1,0,1|1,0,0]=3 2256 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(=O)O 1P00FHN8 [0,0,0,1,0,1|1,0,0]=3 2257 B9R1.161 OC(=O)[C@@H]1O[C@@H]1C(=O)O 1P001WKM [0,0,0,1,0,1|1,0,0]=3 2258 B9R1.161 OC(=O)[C@@H]1O[C@H]1C(=O)O 1P001G65 [0,0,0,1,0,1|1,0,0]=3 2259 B9R1.161 OC(=O)[C@H]1C[C@@H]1C(=O)O 1P001DYO [0,0,0,1,0,1|1,0,0]=3 2260 B9R1.161 [O-][N+](=O)[C@H]1C[C@@H]1C(=O)O 1P00BG6U [0,0,0,1,0,1|2,0,0]=4 2261 B9R1.166 OC(=O)C1CCC1(C)C 1P01A2E9 [0,0,0,1,0,1|1,0,1]=4 2262 B9R1.166 OC(=O)C1CCS1(=O)=O 1P01DZF6 [0,0,0,1,0,1|2,0,0]=4 2263 B9R1.166 OC(=O)C1NCC1(C)C 1P01C0IV [0,0,0,1,0,1|1,0,1]=4 2264 B9R1.166 OC(=O)C1OCC1(C)C 1P028PS1 [0,0,0,1,0,1|1,0,1]=4 2265 B9R1.166 OC(=O)[C@@H]1NCC1(C)C 1P01JURD [0,0,0,1,0,1|1,0,1]=4 2266 B9R1.166 OC(=O)[C@H]1NCC1(C)C 1P00ILKZ [0,0,0,1,0,1|1,0,1]=4 2267 B9R1.1 COC1CCC(=O)CC1 1P0038L4 [0,1,0,1,0,0|1,0,1]=4 2268 B9R1.1 CON1CCC(=O)CC1 1P008SX7 [0,1,0,1,0,0|2,0,0]=4 2269 B9R1.1 O=CC1CCC(=O)CC1 1P003AQ3 [0,1,0,1,0,0|1,0,1]=4 2270 B9R1.1 O=CN1CCC(=O)CC1 1P00CMZR [0,1,0,1,0,0|2,0,0]=4 2271 B9R1.1 OCC1CCC(=O)CC1 1P003KPB [0,1,0,1,0,0|1,0,1]=4 2272 B9R1.10 O=C1CCC(CC1)(C)O 1P0039LN [0,1,0,1,0,0|1,0,1]=4 2273 B9R1.10 O=C1CCC(CN1)(C)O 1P00DLGK [0,1,0,1,0,0|1,0,1]=4 2274 B9R1.10 O=C1CCP(=O)(CC1)C 1P028JBQ [0,1,0,1,0,0|2,0,0]=4 2275 B9R1.10 O=C1CCS(=O)(=O)CC1 1P001ZSS [0,1,0,1,0,0|1,0,1]=4 2276 B9R1.67 CC(=O)OC1CCC1=O 1P01JV9M [0,1,0,1,0,0|2,0,0]=4 2277 B9R1.67 CC(=O)SC1CCC1=O 1P02856B [0,1,0,1,0,0|2,0,0]=4 2278 B9R1.67 NC1CCC1CC(=O)O 1P028TTK [0,1,0,1,0,0|1,0,1]=4 2279 B9R1.67 OC(=O)CC1CCC1=O 1P0281PY [0,1,0,1,0,0|0,0,0]=2 2280 B9R1.67 [O-]C(=O)CN1CCC1=O 1P028DP2 [0,1,0,1,0,0|1,0,1]=4 2281 B9R1.69 CC1CCC(=CC1=O)O 1P00AF9P [0,1,0,1,0,0|1,0,1]=4 2282 B9R1.69 CC1CCC(=O)NC1=O 1P002Z75 [0,1,0,1,0,0|1,0,1]=4 2283 B9R1.69 CC1SCC(=O)OC1=O 1P00IQJ0 [0,1,0,1,0,0|1,0,1]=4 2284 B9R1.69 CN1CCC(=O)NC1=O 1P00FS13 [0,1,0,1,0,0|2,0,0]=4 2285 B9R1.69 O=C1CCC(=C)C(=O)N1 1P01EMHS [0,1,0,1,0,0|1,0,1]=4 2286 B9R1.69 O=C1CCC(=O)N(C1)C 1P00D87A [0,1,0,1,0,0|1,0,0]=3 2287 B9R1.69 O=C1CCN(C(=O)C1)C 1P000J2G [0,1,0,1,0,0|2,0,0]=4 2288 B9R1.69 O=C1CNC(=O)C(N1)C 1P00F3SO [0,1,0,1,0,0|2,0,0]=4 2289 B9R1.69 O=C1CNC(=O)[C@@H](N1)C 1P00DBEA [0,1,0,1,0,0|2,0,0]=4 2290 B9R1.69 O=C1COC(=O)C(N1)C 1P01A115 [0,1,0,1,0,0|1,0,0]=3 2291 B9R1.69 O=C1COC(=O)C(O1)C 1P00PLCF [0,1,0,1,0,0|1,0,0]=3 2292 B9R1.69 O=C1NCC(=O)N(C1)C 1P00DMEB [0,1,0,1,0,0|2,0,0]=4 2293 B9R1.69 OC1CCC(=O)N(C1)C 1P00J3DB [0,1,0,1,0,0|1,0,1]=4 2294 B9R1.80 COC(=O)CCC1CO1 1P005KXV [0,1,0,1,0,0|0,0,2]=4 2295 B9R1.82 BrCC(=O)C1CC(=C)C1 1P027VE3 [0,1,0,1,0,0|2,0,0]=4 2296 B9R1.82 CNC(=O)C1CC(C1)O 1P0092XZ [0,1,0,1,0,0|1,0,1]=4 2297 B9R1.82 COC(=O)C1=CC(=O)C1 1P02863B [0,1,0,1,0,0|0,0,2]=4 2298 B9R1.82 COC(=O)C1CC(=C)C1 1P001RPF [0,1,0,1,0,0|1,0,0]=3 2299 B9R1.82 COC(=O)C1CC(=C1)Br 1P0287YC [0,1,0,1,0,0|1,0,1]=4 2300 B9R1.82 COC(=O)C1CC(=O)C1 1P0036H0 [0,1,0,1,0,0|0,0,0]=2 2301 B9R1.82 COC(=O)C1CC(C1)Br 1P00DLSE [0,1,0,1,0,0|1,0,1]=4 2302 B9R1.82 COC(=O)C1CC(C1)C 1P00HY5Q [0,1,0,1,0,0|1,0,1]=4 2303 B9R1.82 COC(=O)C1CC(C1)Cl 1P001RPE [0,1,0,1,0,0|1,0,1]=4 2304 B9R1.82 COC(=O)C1CC(C1)F 1P01EGTN [0,1,0,1,0,0|1,0,1]=4 2305 B9R1.82 COC(=O)C1CC(C1)I 1P01K7BF [0,1,0,1,0,0|1,0,1]=4 2306 B9R1.82 COC(=O)C1CC(C1)N 1P0035N9 [0,1,0,1,0,0|1,0,1]=4 2307 B9R1.82 COC(=O)C1CC(C1)O 1P0038AV [0,1,0,1,0,0|0,0,2]=4 2308 B9R1.82 COC(=O)C1CC(N1)C 1P028N1D [0,1,0,1,0,0|1,0,1]=4 2309 B9R1.82 COC(=O)N1CC(=O)C1 1P009LOV [0,1,0,1,0,0|1,0,0]=3 2310 B9R1.82 COC(=O)[C@@H]1CC(=O)N1 1P0001ML [0,1,0,1,0,0|1,0,0]=3 2311 B9R1.82 COC(=O)[C@@H]1C[C@@H](C1)Br 1P00HZIQ [0,1,0,1,0,0|1,0,1]=4 2312 B9R1.82 COC(=O)[C@@H]1C[C@@H](C1)Cl 1P01C35O [0,1,0,1,0,0|1,0,1]=4 2313 B9R1.82 COC(=O)[C@@H]1C[C@@H](C1)N 1P003A7U [0,1,0,1,0,0|1,0,1]=4 2314 B9R1.82 COC(=O)[C@@H]1C[C@@H](C1)O 1P00EGRO [0,1,0,1,0,0|0,0,2]=4 2315 B9R1.82 COC(=O)[C@@H]1C[C@H](C1)Br 1P00HYI8 [0,1,0,1,0,0|1,0,1]=4 2316 B9R1.82 COC(=O)[C@@H]1C[C@H](C1)N 1P003A7K [0,1,0,1,0,0|1,0,1]=4 2317 B9R1.82 COC(=O)[C@@H]1C[C@H](C1)N 1P00GA6X [0,1,0,1,0,0|1,0,1]=4 2318 B9R1.82 COC(=O)[C@@H]1C[C@H](C1)O 1P00EIUX [0,1,0,1,0,0|0,0,2]=4 2319 B9R1.82 ClCC(=O)C1CC(=O)C1 1P028UXV [0,1,0,1,0,0|1,0,0]=3 2320 B9R1.84 OC(=O)CCC1CCC1 1P00D98Y [0,1,0,1,0,0|1,0,1]=4 2321 B9R1.84 OC(=O)CCN1CCC1 1P00IKOW [0,1,0,1,0,0|2,0,0]=4 2322 B9R1.84 OC(=O)CCN1CCC1 1P02904K [0,1,0,1,0,0|2,0,0]=4 2323 B9R1.86 CC[C@@H]1C[C@H]1CC(=O)O 1P0285MJ [0,1,0,1,0,0|1,0,1]=4 2324 B9R1.95 BrCC1CC(C1)C(=O)O 1P00856Q [0,1,0,1,0,0|1,0,1]=4 2325 B9R1.95 CCC1CC(C1)C(=O)O 1P00FGGE [0,1,0,1,0,0|1,0,1]=4 2326 B9R1.95 CN[C@@H]1C[C@@H](C1)C(=O)O 1P01BW6H [0,1,0,1,0,0|1,0,1]=4 2327 B9R1.95 COC1CC(C1)C(=O)C 1P01EK9O [0,1,0,1,0,0|1,0,1]=4 2328 B9R1.95 COC1CC(C1)C(=O)O 1P00DG9X [0,1,0,1,0,0|0,0,2]=4 2329 B9R1.95 CO[C@@H]1C[C@@H](C1)C(=O)O 1P00E8V0 [0,1,0,1,0,0|0,0,2]=4 2330 B9R1.95 CO[C@@H]1C[C@H](C1)C(=O)O 1P001DBH [0,1,0,1,0,0|0,0,2]=4 2331 B9R1.95 CSC1CC(C1)C(=O)O 1P027NSH [0,1,0,1,0,0|0,1,1]=4 2332 B9R1.95 CS[C@@H]1C[C@@H](C1)C(=O)O 1P028AOW [0,1,0,1,0,0|0,1,1]=4 2333 B9R1.95 CS[C@@H]1C[C@H](C1)C(=O)O 1P028SFQ [0,1,0,1,0,0|0,1,1]=4 2334 B9R1.95 FCC1CC(C1)C(=O)O 1P00Q5GM [0,1,0,1,0,0|1,0,1]=4 2335 B9R1.95 FC[C@@H]1C[C@H](C1)C(=O)O 1P0289PT [0,1,0,1,0,0|1,0,1]=4 2336 B9R1.95 N#CC1CC(C1)C(=O)O 1P00I1SO [0,1,0,1,0,0|1,0,1]=4 2337 B9R1.95 N#C[C@@H]1C[C@@H](C1)C(=O)O 1P028VQS [0,1,0,1,0,0|1,0,1]=4 2338 B9R1.95 N#C[C@@H]1C[C@H](C1)C(=O)O 1P027S0Z [0,1,0,1,0,0|1,0,1]=4 2339 B9R1.95 NCC1CC(C1)C(=O)O 1P0023NM [0,1,0,1,0,0|1,0,1]=4 2340 B9R1.95 NC[C@@H]1C[C@@H](C1)C(=O)O 1P01JUV9 [0,1,0,1,0,0|1,0,1]=4 2341 B9R1.95 NC[C@@H]1C[C@H](C1)C(=O)O 1P0289JE [0,1,0,1,0,0|1,0,1]=4 2342 B9R1.95 O=NN1CC(C1)C(=O)O 1P00K44O [0,1,0,1,0,0|1,0,0]=3 2343 B9R1.125 CC1(CC)CCC(=O)O1 1P00BTK5 [0,1,0,1,0,0|1,0,1]=4 2344 B9R1.125 CC1(CCC(=O)O1)C=C 1P003B29 [0,1,0,1,0,0|1,0,1]=4 2345 B9R1.127 CC1(CC)CC1C(=O)O 1P01A00M [0,1,0,1,0,0|1,0,1]=4 2346 B9R1.147 OC(=O)CCC1(C)CC1 1P004JGG [0,1,0,1,0,0|1,0,1]=4 2347 B9R1.147 OC(=O)CCC1(C)N=N1 1P002QRO [0,1,0,1,0,0|1,0,1]=4 2348 B9R1.147 OC(=O)CCC1(F)CC1 1P027V3V [0,1,0,1,0,0|1,0,1]=4 2349 B9R1.185 COC(=O)C1CC1(C)C 1P00IHYQ [0,1,0,1,0,0|1,0,1]=4 2350 B9R1.36 NC1CC(OC1=O)(C)C 1P01A2R5 [0,1,0,1,0,0|1,0,1]=4 2351 B9R1.36 O=C1OC(CC1C)(C)C 1P002S4U [0,1,0,1,0,0|1,0,1]=4 2352 B9R1.44 CC1(CC(=O)O)CC1F 1P01C5FL [0,1,0,1,0,0|1,0,1]=4 2353 B9R1.45 CC1CC1C(C(=O)O)N 1P028YY8 [0,1,0,1,0,0|1,0,1]=4 2354 B9R1.112 CC(C(=O)O)CC1CC1 1P01DRRR [0,1,0,1,0,0|1,0,1]=4 2355 B9R1.112 FC(C(=O)O)CC1CC1 1P01DW04 [0,1,0,1,0,0|1,0,1]=4 2356 B9R1.112 NC(C(=O)O)CC1CC1 1P001Q81 [0,1,0,1,0,0|1,0,1]=4 2357 B9R1.112 NC(C(=O)O)CC1CC1 1P0022DY [0,1,0,1,0,0|1,0,1]=4 2358 B9R1.112 N[C@@H](C(=O)O)CC1CC1 1P0016I4 [0,1,0,1,0,0|1,0,1]=4 2359 B9R1.112 N[C@H](C(=O)O)CC1CC1 1P0008PS [0,1,0,1,0,0|1,0,1]=4 2360 B9R1.112 OC(C(=O)O)CC1CC1 1P01DY7U [0,1,0,1,0,0|1,0,1]=4 2361 B9R1.112 O[C@@H](C(=O)O)CC1CC1 1P00200A [0,1,0,1,0,0|1,0,1]=4 2362 B9R1.112 O[C@H](C(=O)O)CC1CC1 1P01JMSK [0,1,0,1,0,0|1,0,1]=4 2363 B9R1.137 CC(C1CC1)CC(=O)O 1P019Y4O [0,1,0,1,0,0|1,0,1]=4 2364 B9R1.137 NC(C1CC1)CC(=O)O 1P003JBL [0,1,0,1,0,0|1,0,1]=4 2365 B9R1.137 N[C@@H](C1CC1)CC(=O)O 1P01FIX5 [0,1,0,1,0,0|1,0,1]=4 2366 B9R1.137 N[C@H](C1CC1)CC(=O)O 1P01EM2U [0,1,0,1,0,0|1,0,1]=4 2367 B9R1.139 F[C@H]1[C@@H](C1(C)C)C(=O)O 1P027WEU [0,1,0,1,0,0|1,0,1]=4 2368 B9R1.139 F[C@H]1[C@H](C1(C)C)C(=O)O 1P027YST [0,1,0,1,0,0|1,0,1]=4 2369 B9R1.152 CC1CC(C1)(C)C(=O)O 1P01DX53 [0,1,0,1,0,0|1,0,1]=4 2370 B9R1.152 CC1CC(C1)(N)C(=O)O 1P01BJJQ [0,1,0,1,0,0|1,0,1]=4 2371 B9R1.152 C[C@@H]1C[C@@](C1)(N)C(=O)O 1P01XAK3 [0,1,0,1,0,0|1,0,1]=4 2372 B9R1.152 C[C@@H]1C[C@](C1)(N)C(=O)O 1P00AM5Y [0,1,0,1,0,0|1,0,1]=4 2373 B9R1.152 FC1CC(C1)(C)C(=O)O 1P01FJD3 [0,1,0,1,0,0|1,0,1]=4 2374 B9R1.152 FC1CC(C1)(F)C(=O)O 1P01KA7E [0,1,0,1,0,0|1,0,1]=4 2375 B9R1.152 FC1CC(C1)(N)C(=O)O 1P00HAIN [0,1,0,1,0,0|1,0,1]=4 2376 B9R1.152 FC1CC(C1)(N)C(=O)O 1P01BRXF [0,1,0,1,0,0|1,0,1]=4 2377 B9R1.152 F[C@@H]1C[C@@](C1)(N)C(=O)O 1P00IH8K [0,1,0,1,0,0|1,0,1]=4 2378 B9R1.152 F[C@@H]1C[C@](C1)(N)C(=O)O 1P01C0S9 [0,1,0,1,0,0|1,0,1]=4 2379 B9R1.152 NC1CC(C1)(C)C(=O)O 1P01FIX1 [0,1,0,1,0,0|1,0,1]=4 2380 B9R1.152 NC1CC(C1)(F)C(=O)O 1P028TQ0 [0,1,0,1,0,0|1,0,1]=4 2381 B9R1.152 NC1CC(C1)(O)C(=O)O 1P028CA1 [0,1,0,1,0,0|1,0,1]=4 2382 B9R1.152 N[C@@H]1C[C@](C1)(C)C(=O)O 1P001U6U [0,1,0,1,0,0|1,0,1]=4 2383 B9R1.152 O=C1CC(C1)(C)C(=O)O 1P002WEW [0,1,0,1,0,0|0,0,0]=2 2384 B9R1.152 O=C1CC(C1)(N)C(=O)O 1P028HXS [0,1,0,1,0,0|0,0,0]=2 2385 B9R1.152 OC(=O)C1(C)CC(=C)C1 1P002WEX [0,1,0,1,0,0|1,0,0]=3 2386 B9R1.152 OC(=O)C1(N)CC(=C)C1 1P028TM0 [0,1,0,1,0,0|1,0,0]=3 2387 B9R1.152 OC(=O)C1(O)CC(=C)C1 1P01JV9L [0,1,0,1,0,0|1,0,0]=3 2388 B9R1.152 OC1CC(C1)(N)C(=O)O 1P000N2W [0,1,0,1,0,0|0,0,2]=4 2389 B9R1.152 OC1CC(C1)(N)C(=O)O 1P009BMF [0,1,0,1,0,0|0,0,2]=4 2390 B9R1.152 O[C@@H]1C[C@@](C1)(O)C(=O)O 1P01JVNE [0,1,0,1,0,0|0,0,2]=4 2391 B9R1.152 O[C@@H]1C[C@](C1)(F)C(=O)O 1P01KX5S [0,1,0,1,0,0|0,0,2]=4 2392 B9R1.152 O[C@@H]1C[C@](C1)(O)C(=O)O 1P01XADC [0,1,0,1,0,0|0,0,2]=4 2393 B9R1.164 CC(=O)C1CS(=O)(=O)C1 1P028K0S [0,1,0,1,0,0|1,0,1]=4 2394 B9R1.164 OC(=O)C1CC(C1)(Br)Br 1P028GCL [0,1,0,1,0,0|1,0,1]=4 2395 B9R1.164 OC(=O)C1CC(C1)(C)C 1P0038ID [0,1,0,1,0,0|1,0,1]=4 2396 B9R1.164 OC(=O)C1CC(C1)(C)F 1P001STI [0,1,0,1,0,0|1,0,1]=4 2397 B9R1.164 OC(=O)C1CC(C1)(C)O 1P001TYR [0,1,0,1,0,0|0,0,2]=4 2398 B9R1.164 OC(=O)C1CC(C1)(C)O 1P01K8G5 [0,1,0,1,0,0|0,0,2]=4 2399 B9R1.164 OC(=O)C1CC(C1)(Cl)Cl 1P00GRTM [0,1,0,1,0,0|1,0,1]=4 2400 B9R1.164 OC(=O)C1CC(C1)(F)F 1P008U6K [0,1,0,1,0,0|1,0,1]=4 2401 B9R1.164 OC(=O)C1CP(=O)(C1)O 1P01BTZN [0,1,0,1,0,0|1,0,0]=3 2402 B9R1.164 OC(=O)C1CS(=O)(=O)C1 1P000WBY [0,1,0,1,0,0|1,0,0]=3 2403 B9R1.164 OC(=O)[C@@H]1C[C@@](C1)(C)F 1P001DLA [0,1,0,1,0,0|1,0,1]=4 2404 B9R1.164 OC(=O)[C@@H]1C[C@@](C1)(C)O 1P00AAYZ [0,1,0,1,0,0|0,0,2]=4 2405 B9R1.164 OC(=O)[C@@H]1C[C@](C1)(C)O 1P0019QF [0,1,0,1,0,0|0,0,2]=4 2406 B9R1.169 OC(=O)C1(Br)CC1(C)C 1P028U3O [0,1,0,1,0,0|1,0,1]=4 2407 B9R1.169 OC(=O)C1(C)CC1(C)C 1P029191 [0,1,0,1,0,0|1,0,1]=4 2408 B9R1.169 OC(=O)C1(Cl)CC1(C)C 1P028WQS [0,1,0,1,0,0|1,0,1]=4 2409 B9R1.169 OC(=O)C1(N)CC1(C)C 1P028LAI [0,1,0,1,0,0|1,0,1]=4 2410 B9R1.169 OC(=O)C1(O)CC1(C)C 1P028OO3 [0,1,0,1,0,0|1,0,1]=4 2411 B9R1.51 O=C1CC(C1)S(=O)(=O)C 1P01BSUV [0,1,0,1,0,0|1,0,1]=4 2412 B9R1.51 O=C1CC(C1)S(=O)(=O)Cl 1P01BY23 [0,1,0,1,0,0|1,0,1]=4 2413 B9R2.150 OC(=O)C1CC2C1C2 1P01XBSJ [0,0,0,2,0,0|1,0,1]=4 2414 B9R2.145 OC(=O)C12CC(C1)C2 1P00CC92 [0,0,0,2,0,0|1,0,1]=4 2415 B9R2.143 OC(=O)C1CC12CC2 1P00ABGH [0,0,0,2,0,0|1,0,1]=4 2416 B5R0.5 BrC(=C)C(=O)O 1P003H7Y [0,0,0,0,2,0|1,0,1]=4 2417 B5R0.5 CC(=C)C(=O)N 1P003RY9 [0,0,0,0,2,0|2,0,0]=4 2418 B5R0.5 CC(=C)C(=O)O 1P0036XE [0,0,0,0,2,0|1,0,0]=3 2419 B5R0.5 CC(=C)C(=O)[O-] 1P0010CG [0,0,0,0,2,0|1,0,1]=4 2420 B5R0.5 CC(=C)C(=O)[O-] 1P00111N [0,0,0,0,2,0|1,0,1]=4 2421 B5R0.5 CC(=C)C(=O)[O-] 1P001Y9T [0,0,0,0,2,0|1,0,1]=4 2422 B5R0.5 CC(=C)C(=O)[O-] 1P003UTP [0,0,0,0,2,0|1,0,1]=4 2423 B5R0.5 CC(=C)C(=O)[O-] 1P005QHJ [0,0,0,0,2,0|1,0,1]=4 2424 B5R0.5 CC(=C)C(=O)[O-] 1P005ZNF [0,0,0,0,2,0|1,0,1]=4 2425 B5R0.5 CC(=O)C(=C)C 1P003K68 [0,0,0,0,2,0|2,0,0]=4 2426 B5R0.5 CC(=O)C(=O)[O-] 1P002Y88 [0,0,0,0,2,0|0,0,1]=3 2427 B5R0.5 CC(=O)C(=O)[O-] 1P003P54 [0,0,0,0,2,0|0,0,1]=3 2428 B5R0.5 CC(=O)C(=O)[O-] 1P003UJW [0,0,0,0,2,0|0,0,1]=3 2429 B5R0.5 CC(=O)C(=S)N 1P01A3YH [0,0,0,0,2,0|1,1,0]=4 2430 B5R0.5 CC(=O)C(O)C 1P00DMTO [0,0,0,0,2,0|1,0,1]=4 2431 B5R0.5 CC(=O)N(O)C 1P000W3Q [0,0,0,0,2,0|2,0,0]=4 2432 B5R0.5 CC(C(=O)O)Br 1P003H9J [0,0,0,0,2,0|1,0,1]=4 2433 B5R0.5 CC(C(=O)O)C 1P003729 [0,0,0,0,2,0|1,0,1]=4 2434 B5R0.5 CC(C(=O)O)C 1P01D9JB [0,0,0,0,2,0|1,0,1]=4 2435 B5R0.5 CC(C(=O)O)F 1P0032QG [0,0,0,0,2,0|1,0,1]=4 2436 B5R0.5 CC(C(=O)O)N 1P01ELSY [0,0,0,0,2,0|1,0,1]=4 2437 B5R0.5 CN(C(=O)O)C 1P003Q0Z [0,0,0,0,2,0|2,0,0]=4 2438 B5R0.5 C[C@@H](C(=O)O)Br 1P003CU9 [0,0,0,0,2,0|1,0,1]=4 2439 B5R0.5 C[C@@H](C(=O)O)Cl 1P002ZDF [0,0,0,0,2,0|1,0,1]=4 2440 B5R0.5 C[C@@H](C(=O)O)F 1P00F1Z5 [0,0,0,0,2,0|1,0,1]=4 2441 B5R0.5 C[C@@H](C(=O)O)N 1P003RNW [0,0,0,0,2,0|1,0,1]=4 2442 B5R0.5 C[C@@H](C(=O)O)N 1P00E9HQ [0,0,0,0,2,0|1,0,1]=4 2443 B5R0.5 C[C@H](C(=O)O)Br 1P0001CR [0,0,0,0,2,0|1,0,1]=4 2444 B5R0.5 C[C@H](C(=O)O)Cl 1P003BFE [0,0,0,0,2,0|1,0,1]=4 2445 B5R0.5 C[C@H](C(=O)O)N 1P003559 [0,0,0,0,2,0|1,0,1]=4 2446 B5R0.5 C[C@H](C(=O)O)S 1P007HM9 [0,0,0,0,2,0|0,1,1]=4 2447 B5R0.5 ClC(=C)C(=O)O 1P003HI1 [0,0,0,0,2,0|1,0,1]=4 2448 B5R0.5 ClC(=O)C(=O)C 1P00EL7R [0,0,0,0,2,0|1,0,0]=3 2449 B5R0.5 ClC(=O)C(=O)Cl 1P0035WI [0,0,0,0,2,0|2,0,0]=4 2450 B5R0.5 FC(=C)C(=O)O 1P0039KQ [0,0,0,0,2,0|1,0,1]=4 2451 B5R0.5 NC(=O)C(=O)C 1P00F3KY [0,0,0,0,2,0|1,0,0]=3 2452 B5R0.5 NC(=O)C(=O)N 1P0035WJ [0,0,0,0,2,0|2,0,0]=4 2453 B5R0.5 NC(=O)C(=O)[O-] 1P002LS9 [0,0,0,0,2,0|1,0,1]=4 2454 B5R0.5 NC(=O)C(=O)[O-] 1P003TZ9 [0,0,0,0,2,0|1,0,1]=4 2455 B5R0.5 O=C([O-])C([O-])=O 1P01K949 [0,0,0,0,2,0|1,0,1]=4 2456 B5R0.5 OC(=O)C(=O)C 1P000WZ4 [0,0,0,0,2,0|0,0,0]=2 2457 B5R0.5 OC(=O)C(=O)C 1P00I8KL [0,0,0,0,2,0|0,0,0]=2 2458 B5R0.5 OC(=O)C(=O)N 1P007228 [0,0,0,0,2,0|1,0,0]=3 2459 B5R0.5 OC(=O)C(=O)O 1P001HGU [0,0,0,0,2,0|1,0,0]=3 2460 B5R0.5 OC(=O)C(=O)O 1P001J7Q [0,0,0,0,2,0|1,0,0]=3 2461 B5R0.5 OC(=O)C(=O)O 1P001YL3 [0,0,0,0,2,0|1,0,0]=3 2462 B5R0.5 OC(=O)C(=O)O 1P0035WH [0,0,0,0,2,0|1,0,0]=3 2463 B5R0.5 OC(=O)C(=O)O 1P00365O [0,0,0,0,2,0|1,0,0]=3 2464 B5R0.5 OC(=O)C(=O)O 1P003UGT [0,0,0,0,2,0|1,0,0]=3 2465 B5R0.5 OC(=O)C(=O)O 1P006O51 [0,0,0,0,2,0|1,0,0]=3 2466 B5R0.5 OC(=O)C(=O)O 1P00C1U2 [0,0,0,0,2,0|1,0,0]=3 2467 B5R0.5 OC(=O)C(=O)O 1P00IL71 [0,0,0,0,2,0|1,0,0]=3 2468 B5R0.5 OC(=O)C(=O)O 1P00ILQM [0,0,0,0,2,0|1,0,0]=3 2469 B5R0.5 OC(=O)C(=O)O 1P01DLJI [0,0,0,0,2,0|1,0,0]=3 2470 B5R0.5 OC(=O)C(=O)O 1P01DWOZ [0,0,0,0,2,0|1,0,0]=3 2471 B5R0.5 OC(=O)C(=O)O 1P01EIQX [0,0,0,0,2,0|1,0,0]=3 2472 B5R0.5 OC(=O)C(=O)O 1P01FLFT [0,0,0,0,2,0|1,0,0]=3 2473 B5R0.5 OC(=O)C(=O)O 1P01XAIW [0,0,0,0,2,0|1,0,0]=3 2474 B5R0.5 OC(=O)C(=O)O 1P028VBK [0,0,0,0,2,0|1,0,0]=3 2475 B5R0.5 OC(=O)C(=O)[O-] 1P000X03 [0,0,0,0,2,0|1,0,0]=3 2476 B5R0.5 OC(=O)C(=O)[O-] 1P003231 [0,0,0,0,2,0|1,0,0]=3 2477 B5R0.5 OC(=O)C(O)C 1P00388A [0,0,0,0,2,0|0,0,2]=4 2478 B5R0.5 OC(=O)C(O)C 1P003P5C [0,0,0,0,2,0|0,0,2]=4 2479 B5R0.5 OC(=O)[C@@H](O)C 1P003AT9 [0,0,0,0,2,0|0,0,2]=4 2480 B5R0.5 OC(=O)[C@H](O)C 1P003PO7 [0,0,0,0,2,0|0,0,2]=4 2481 B5R0.5 [O-]C(=O)C(=O)[O-] 1P00031C [0,0,0,0,2,0|1,0,1]=4 2482 B5R0.5 [O-]C(=O)C(=O)[O-] 1P0011FV [0,0,0,0,2,0|1,0,1]=4 2483 B5R0.5 [O-]C(=O)C(=O)[O-] 1P001KO1 [0,0,0,0,2,0|1,0,1]=4 2484 B5R0.5 [O-]C(=O)C(=O)[O-] 1P001XGC [0,0,0,0,2,0|1,0,1]=4 2485 B5R0.5 [O-]C(=O)C(=O)[O-] 1P002PYS [0,0,0,0,2,0|1,0,1]=4 2486 B5R0.5 [O-]C(=O)C(=O)[O-] 1P0037M0 [0,0,0,0,2,0|1,0,1]=4 2487 B5R0.5 [O-]C(=O)C(=O)[O-] 1P003948 [0,0,0,0,2,0|1,0,1]=4 2488 B5R0.5 [O-]C(=O)C(=O)[O-] 1P0039MJ [0,0,0,0,2,0|1,0,1]=4 2489 B5R0.5 [O-]C(=O)C(=O)[O-] 1P003A9Z [0,0,0,0,2,0|1,0,1]=4 2490 B5R0.5 [O-]C(=O)C(=O)[O-] 1P003OBZ [0,0,0,0,2,0|1,0,1]=4 2491 B5R0.5 [O-]C(=O)C(=O)[O-] 1P003P50 [0,0,0,0,2,0|1,0,1]=4 2492 B5R0.5 [O-]C(=O)C(=O)[O-] 1P003PHX [0,0,0,0,2,0|1,0,1]=4 2493 B5R0.5 [O-]C(=O)C(=O)[O-] 1P003ROH [0,0,0,0,2,0|1,0,1]=4 2494 B5R0.5 [O-]C(=O)C(=O)[O-] 1P003TK4 [0,0,0,0,2,0|1,0,1]=4 2495 B5R0.5 [O-]C(=O)C(=O)[O-] 1P003UDL [0,0,0,0,2,0|1,0,1]=4 2496 B5R0.5 [O-]C(=O)C(=O)[O-] 1P003UWJ [0,0,0,0,2,0|1,0,1]=4 2497 B5R0.5 [O-]C(=O)C(=O)[O-] 1P0052S0 [0,0,0,0,2,0|1,0,1]=4 2498 B5R0.5 [O-]C(=O)C(=O)[O-] 1P006UZV [0,0,0,0,2,0|1,0,1]=4 2499 B5R0.5 [O-]C(=O)C(=O)[O-] 1P007C28 [0,0,0,0,2,0|1,0,1]=4 2500 B5R0.5 [O-]C(=O)C(=O)[O-] 1P008MSE [0,0,0,0,2,0|1,0,1]=4 2501 B5R0.5 [O-]C(=O)C(=O)[O-] 1P00DMGT [0,0,0,0,2,0|1,0,1]=4 2502 B5R0.5 [O-]C(=O)C(=O)[O-] 1P00E0U8 [0,0,0,0,2,0|1,0,1]=4 2503 B5R0.5 [O-]C(=O)C(=O)[O-] 1P00I9OV [0,0,0,0,2,0|1,0,1]=4 2504 B5R0.5 [O-]C(=O)C(=O)[O-] 1P00IB92 [0,0,0,0,2,0|1,0,1]=4 2505 B5R0.5 [O-]C(=O)C(=O)[O-] 1P00IBCE [0,0,0,0,2,0|1,0,1]=4 2506 B5R0.5 [O-]C(=O)C(=O)[O-] 1P01KKUY [0,0,0,0,2,0|1,0,1]=4 2507 B9R0.55 CC(=O)CCCCC(=O)C 1P001TQG [0,0,0,0,0,2|1,0,0]=3 2508 B9R0.55 CC(=O)CCCCC(=O)O 1P0034N3 [0,0,0,0,0,2|0,0,0]=2 2509 B9R0.55 CC(=O)NCCNC(=O)C 1P003SYY [0,0,0,0,0,2|1,0,0]=3 2510 B9R0.55 CC(=O)OCCOC(=O)C 1P003QZ1 [0,0,0,0,0,2|1,0,0]=3 2511 B9R0.55 CC(CCCCC(=O)O)C 1P00GS4R [0,0,0,0,0,2|1,0,1]=4 2512 B9R0.55 CC(CCCCC(=O)O)N 1P01AJKO [0,0,0,0,0,2|1,0,1]=4 2513 B9R0.55 CC(CCOCC(=O)O)C 1P006C8E [0,0,0,0,0,2|1,0,1]=4 2514 B9R0.55 CC(CCSCC(=O)O)C 1P019XPV [0,0,0,0,0,2|1,0,1]=4 2515 B9R0.55 CC(CC\C=C\C(=O)O)C 1P028B0G [0,0,0,0,0,2|1,0,1]=4 2516 B9R0.55 CC(CNCCC(=O)O)C 1P019VWL [0,0,0,0,0,2|1,0,1]=4 2517 B9R0.55 CC(COCCC(=O)O)C 1P019NR0 [0,0,0,0,0,2|1,0,1]=4 2518 B9R0.55 CC(CSCCC(=O)O)C 1P00BV6K [0,0,0,0,0,2|1,0,1]=4 2519 B9R0.55 CC(NCCCC(=O)O)C 1P019L2M [0,0,0,0,0,2|1,0,1]=4 2520 B9R0.55 CC(\C=C\CCC(=O)O)C 1P028OBZ [0,0,0,0,0,2|1,0,1]=4 2521 B9R0.55 CN(CCCCC(=O)O)C 1P003MO1 [0,0,0,0,0,2|2,0,0]=4 2522 B9R0.55 CN(CCCCC(=O)O)C 1P00IGBJ [0,0,0,0,0,2|2,0,0]=4 2523 B9R0.55 CN(CCNCC(=O)O)C 1P006XOB [0,0,0,0,0,2|2,0,0]=4 2524 B9R0.55 CN(CCOCC(=O)O)C 1P01DXED [0,0,0,0,0,2|2,0,0]=4 2525 B9R0.55 CN(CCSCC(=O)O)C 1P01E2GY [0,0,0,0,0,2|2,0,0]=4 2526 B9R0.55 ClC(=O)CCCCC(=O)Cl 1P003O5N [0,0,0,0,0,2|2,0,0]=4 2527 B9R0.55 NC(=N)NCCCC(=O)O 1P00738Q [0,0,0,0,0,2|2,0,0]=4 2528 B9R0.55 NC(=O)CCCCC(=O)N 1P003O5L [0,0,0,0,0,2|2,0,0]=4 2529 B9R0.55 NC(=O)CCCCC(=O)O 1P00CBIY [0,0,0,0,0,2|1,0,0]=3 2530 B9R0.55 NC(=O)CNCCC(=O)N 1P0282NL [0,0,0,0,0,2|2,0,0]=4 2531 B9R0.55 OC(=O)CCC=CC(=O)O 1P00DKDG [0,0,0,0,0,2|1,0,0]=3 2532 B9R0.55 OC(=O)CCCC=C(Cl)Cl 1P028UWB [0,0,0,0,0,2|2,0,0]=4 2533 B9R0.55 OC(=O)CCCCC(=O)O 1P000LTN [0,0,0,0,0,2|1,0,0]=3 2534 B9R0.55 OC(=O)CCCCC(=O)O 1P001HZW [0,0,0,0,0,2|1,0,0]=3 2535 B9R0.55 OC(=O)CCCCC(=O)O 1P005FLC [0,0,0,0,0,2|1,0,0]=3 2536 B9R0.55 OC(=O)CCCCC(=O)O 1P00BC8M [0,0,0,0,0,2|1,0,0]=3 2537 B9R0.55 OC(=O)CCCCC(=O)O 1P00I3A9 [0,0,0,0,0,2|1,0,0]=3 2538 B9R0.55 OC(=O)CCCNC(=O)C 1P002ZTN [0,0,0,0,0,2|0,0,0]=2 2539 B9R0.55 OC(=O)CCCOC(=O)C 1P01DZQ9 [0,0,0,0,0,2|0,0,0]=2 2540 B9R0.55 OC(=O)CCCOC(C)C 1P01A6TS [0,0,0,0,0,2|1,0,1]=4 2541 B9R0.55 OC(=O)CCCSC(=O)C 1P0004X8 [0,0,0,0,0,2|0,0,0]=2 2542 B9R0.55 OC(=O)CCSCC(=O)N 1P019LVN [0,0,0,0,0,2|1,0,0]=3 2543 B9R0.55 OC(=O)CC\C=C\C(=O)O 1P01A26I [0,0,0,0,0,2|1,0,0]=3 2544 B9R0.55 OC(=O)C\C=C\CC(=O)O 1P003VCP [0,0,0,0,0,2|1,0,0]=3 2545 B9R0.55 O[13C](=O)[13CH2][13CH2][13CH2][13CH2][13C](=O)O 1P01CBY6 [0,0,0,0,0,2|1,0,0]=3 2546 B9R0.55 [O-]C(=O)CCCCC(=O)[O-] 1P003Q7X [0,0,0,0,0,2|1,0,1]=4