0 B9R1.35 BrC1CCC(C1)C(=O)O 1P01DTVB [0,0,0,0,0,0|2,0,0]=2 1 B9R1.35 CC(C1NCC(C1)O)C 1P028FZM [0,0,0,0,0,0|2,0,1]=3 2 B9R1.35 CC1=CC(SC1)C(=O)O 1P027XXJ [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 CC1=NC(CC1)C(=O)O 1P00J6P6 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.35 CC1=NO[C@@H](C1)C(=O)O 1P00DD84 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 CC1=N[C@@H](CC1)C(=O)O 1P0286OA [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 CC1CC(=NO1)C(=O)O 1P028KSF [0,0,0,0,0,0|2,0,2]=4 7 B9R1.35 CC1CCC(=C1)C(=O)O 1P01A00Q [0,0,0,0,0,0|2,0,2]=4 8 B9R1.35 CC1CCC(C1)C(=O)O 1P00BFWE [0,0,0,0,0,0|2,0,0]=2 9 B9R1.35 CC1CCC(C1)C(O)C 1P028Y30 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.35 CC1CCC(O1)C(=O)O 1P01A08O [0,0,0,0,0,0|3,0,0]=3 11 B9R1.35 CC1CCC(S1)C(=O)O 1P01A3XY [0,0,0,0,0,0|3,0,0]=3 12 B9R1.35 CC1CCN(C1)C(=O)Cl 1P01B8XY [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 CC1NC(CS1)C(=O)O 1P00CA8C [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 CC1OCC(C1)C(=O)O 1P01AGK8 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.35 CN1CC(=CC1)C(=O)O 1P028S9Q [0,0,0,0,0,0|3,0,1]=4 16 B9R1.35 CN1CC(N=C1)C(=O)O 1P01A367 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.35 CN1CCC(C1)C(=O)O 1P003EZM [0,0,0,0,0,0|3,0,0]=3 18 B9R1.35 CN1CCC(C1)C(=O)O 1P00DIBI [0,0,0,0,0,0|3,0,0]=3 19 B9R1.35 CN1CC[C@@H](C1)C(=O)O 1P003AOS [0,0,0,0,0,0|3,0,0]=3 20 B9R1.35 CN1CC[C@@H](C1)C(=O)O 1P027TU4 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.35 CN1CC[C@H](C1)C(=O)O 1P00IJCM [0,0,0,0,0,0|3,0,0]=3 22 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O 1P00ILRT [0,0,0,0,0,0|3,0,0]=3 23 B9R1.35 C[C@@H]1C[C@H](NC1)C(=O)O 1P00BICG [0,0,0,0,0,0|1,0,0]=1 24 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O 1P00ILRW [0,0,0,0,0,0|3,0,0]=3 25 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O 1P00FBCG [0,0,0,0,0,0|1,0,0]=1 26 B9R1.35 ClC1CCN(C1)C(=O)N 1P028UN2 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.35 FC1CCC(C1)C(=O)O 1P00HYAH [0,0,0,0,0,0|2,0,0]=2 28 B9R1.35 F[C@@H]1CCN(C1)C(=O)Cl 1P027VEM [0,0,0,0,0,0|4,0,0]=4 29 B9R1.35 F[C@H]1CCN(C1)C(=O)Cl 1P027V1K [0,0,0,0,0,0|4,0,0]=4 30 B9R1.35 IC1CCN(C1)C(=O)C 1P00AB5S [0,0,0,0,0,0|4,0,0]=4 31 B9R1.35 NC(=O)C1CC(CN1)O 1P00H9LZ [0,0,0,0,0,0|1,0,0]=1 32 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F 1P005TE5 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F 1P00CARM [0,0,0,0,0,0|2,0,0]=2 34 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)O 1P01XC5C [0,0,0,0,0,0|1,0,0]=1 35 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F 1P003C63 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F 1P008GOI [0,0,0,0,0,0|2,0,0]=2 37 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O 1P003C64 [0,0,0,0,0,0|1,0,0]=1 38 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O 1P00F5AJ [0,0,0,0,0,0|1,0,0]=1 39 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O 1P01XCC8 [0,0,0,0,0,0|1,0,0]=1 40 B9R1.35 NC1=NC(CC1)C(=O)O 1P01A7A3 [0,0,0,0,0,0|3,0,1]=4 41 B9R1.35 NC1CC(=CC1)C(=O)O 1P01B7AU [0,0,0,0,0,0|2,0,1]=3 42 B9R1.35 NC1CC(C=C1)C(=O)O 1P019UK6 [0,0,0,0,0,0|2,0,1]=3 43 B9R1.35 NC1CCC(C1)C(=O)O 1P003AA8 [0,0,0,0,0,0|2,0,0]=2 44 B9R1.35 NC1CCC(C1)C(=O)O 1P003JE7 [0,0,0,0,0,0|2,0,0]=2 45 B9R1.35 NC1CCC(C1)S(=O)C 1P01DTUA [0,0,0,0,0,0|4,0,0]=4 46 B9R1.35 NC1CCN(C1)C(=O)C 1P001BEW [0,0,0,0,0,0|4,0,0]=4 47 B9R1.35 NC1CCN(C1)C(=O)C 1P003ED2 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.35 NC1CCN(C1)C(=O)F 1P02887O [0,0,0,0,0,0|4,0,0]=4 49 B9R1.35 NC1CCN(C1)C(=O)N 1P01AI61 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.35 N[C@@H]1CCN(C1)C(=O)C 1P000YPL [0,0,0,0,0,0|4,0,0]=4 51 B9R1.35 N[C@@H]1CCN(C1)C(=O)C 1P0092PG [0,0,0,0,0,0|4,0,0]=4 52 B9R1.35 N[C@@H]1CCN(C1)C(=O)C 1P028ZQ0 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.35 N[C@@H]1CCN(C1)C(=O)N 1P028XZH [0,0,0,0,0,0|4,0,0]=4 54 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O 1P002F03 [0,0,0,0,0,0|2,0,0]=2 55 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O 1P005Q45 [0,0,0,0,0,0|2,0,0]=2 56 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O 1P0039RV [0,0,0,0,0,0|2,0,0]=2 57 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O 1P00ADHG [0,0,0,0,0,0|1,0,0]=1 58 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O 1P024HKR [0,0,0,0,0,0|1,0,0]=1 59 B9R1.35 N[C@@H]1C[C@@H](C=C1)C(=O)O 1P000VLS [0,0,0,0,0,0|2,0,1]=3 60 B9R1.35 N[C@@H]1C[C@@H](C=C1)C(=O)O 1P009G43 [0,0,0,0,0,0|2,0,1]=3 61 B9R1.35 N[C@@H]1C[C@@H](NC1)C(=O)O 1P01XCO6 [0,0,0,0,0,0|1,0,0]=1 62 B9R1.35 N[C@@H]1C[C@H](NC1)C(=O)O 1P00AM3G [0,0,0,0,0,0|1,0,0]=1 63 B9R1.35 N[C@H]1CCN(C1)C(=O)C 1P0004TU [0,0,0,0,0,0|4,0,0]=4 64 B9R1.35 N[C@H]1CCN(C1)C(=O)N 1P028YG3 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O 1P01FSS9 [0,0,0,0,0,0|2,0,0]=2 66 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O 1P001FNY [0,0,0,0,0,0|2,0,0]=2 67 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O 1P005Q44 [0,0,0,0,0,0|2,0,0]=2 68 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O 1P00DIB8 [0,0,0,0,0,0|2,0,0]=2 69 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O 1P00AMYG [0,0,0,0,0,0|1,0,0]=1 70 B9R1.35 N[C@H]1C[C@@H](NC1)C(=O)O 1P002TAD [0,0,0,0,0,0|1,0,0]=1 71 B9R1.35 N[C@H]1C[C@H](C=C1)C(=O)O 1P00089L [0,0,0,0,0,0|2,0,1]=3 72 B9R1.35 N[C@H]1C[C@H](C=C1)C(=O)O 1P000VLR [0,0,0,0,0,0|2,0,1]=3 73 B9R1.35 N[C@H]1C[C@H](NC1)C(=O)O 1P00AOGX [0,0,0,0,0,0|1,0,0]=1 74 B9R1.35 O=C1CCC(C1)C(=O)O 1P00348M [0,0,0,0,0,0|1,0,2]=3 75 B9R1.35 O=C1CCC(N1)C(=O)O 1P00IKGZ [0,0,0,0,0,0|2,0,2]=4 76 B9R1.35 O=C1CCC(O1)C(=O)O 1P00DC1X [0,0,0,0,0,0|2,0,2]=4 77 B9R1.35 O=C1CCC(S1)C(=O)O 1P007POJ [0,0,0,0,0,0|2,0,2]=4 78 B9R1.35 O=C1CC[C@@H](C1)C(=O)O 1P003AS5 [0,0,0,0,0,0|1,0,2]=3 79 B9R1.35 O=C1CC[C@@H](N1)C(=O)O 1P0032UR [0,0,0,0,0,0|2,0,2]=4 80 B9R1.35 O=C1CC[C@@H](O1)C(=O)O 1P0032VY [0,0,0,0,0,0|2,0,2]=4 81 B9R1.35 O=C1CC[C@H](C1)C(=O)O 1P000UI7 [0,0,0,0,0,0|1,0,2]=3 82 B9R1.35 O=C1CC[C@H](N1)C(=O)O 1P001LSP [0,0,0,0,0,0|2,0,2]=4 83 B9R1.35 O=C1CC[C@H](O1)C(=O)O 1P003CY8 [0,0,0,0,0,0|2,0,2]=4 84 B9R1.35 O=C1CNC(C1)C(=O)O 1P00IKI8 [0,0,0,0,0,0|0,0,2]=2 85 B9R1.35 O=C1CN[C@@H](C1)C(=O)O 1P00DL64 [0,0,0,0,0,0|0,0,2]=2 86 B9R1.35 O=C1COC(C1)C(=O)O 1P01EKEJ [0,0,0,0,0,0|1,0,2]=3 87 B9R1.35 O=C1CSC(C1)C(=O)O 1P01DX9I [0,0,0,0,0,0|1,0,2]=3 88 B9R1.35 O=C1NCC(C1)C(=O)O 1P00FAQX [0,0,0,0,0,0|2,0,2]=4 89 B9R1.35 O=C1NC[C@@H](C1)C(=O)O 1P00I8Q9 [0,0,0,0,0,0|2,0,2]=4 90 B9R1.35 O=C1NC[C@H](C1)C(=O)O 1P00326A [0,0,0,0,0,0|2,0,2]=4 91 B9R1.35 O=C1OCC(C1)C(=O)O 1P01A1UB [0,0,0,0,0,0|2,0,2]=4 92 B9R1.35 O=C1SCC(C1)C(=O)O 1P002W3L [0,0,0,0,0,0|2,0,2]=4 93 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)Cl 1P028JLJ [0,0,0,0,0,0|1,0,0]=1 94 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)F 1P0001IE [0,0,0,0,0,0|1,0,0]=1 95 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)F 1P0032T5 [0,0,0,0,0,0|1,0,0]=1 96 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)S 1P00G8ZQ [0,0,0,0,0,0|0,1,0]=1 97 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)F 1P002QUC [0,0,0,0,0,0|1,0,0]=1 98 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)F 1P00392O [0,0,0,0,0,0|1,0,0]=1 99 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)S 1P00ILPJ [0,0,0,0,0,0|0,1,0]=1 100 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)S 1P01K8E7 [0,0,0,0,0,0|0,1,0]=1 101 B9R1.35 OC(=O)[C@H]1C[C@@H](CN1)F 1P000W42 [0,0,0,0,0,0|1,0,0]=1 102 B9R1.35 OC(=O)[C@H]1C[C@@H](CN1)F 1P00HDBV [0,0,0,0,0,0|1,0,0]=1 103 B9R1.35 OC(=O)[C@H]1C[C@H](CN1)F 1P00HYG2 [0,0,0,0,0,0|1,0,0]=1 104 B9R1.35 OC1CCC(C1)C(=O)O 1P00045D [0,0,0,0,0,0|1,0,0]=1 105 B9R1.35 OC1CCC(C1)N(C)C 1P028O68 [0,0,0,0,0,0|4,0,0]=4 106 B9R1.35 OC1CCC(C1)S(=O)C 1P028PM3 [0,0,0,0,0,0|3,0,0]=3 107 B9R1.35 OC1CCN(C1)C(=O)C 1P002MOY [0,0,0,0,0,0|3,0,0]=3 108 B9R1.35 OC1CN[C@@H](C1)C(=O)O 1P005LO0 [0,0,0,0,0,0|0,0,0]=0 109 B9R1.35 O[C@@H]1CCN(C1)C(=O)C 1P003COI [0,0,0,0,0,0|3,0,0]=3 110 B9R1.35 O[C@@H]1CC[C@@H](C1)C(=O)O 1P007VPN [0,0,0,0,0,0|1,0,0]=1 111 B9R1.35 O[C@@H]1CC[C@H](C1)C(=O)O 1P00DLKM [0,0,0,0,0,0|1,0,0]=1 112 B9R1.35 O[C@@H]1CC[C@H](C1)N(C)C 1P027YME [0,0,0,0,0,0|4,0,0]=4 113 B9R1.35 O[C@@H]1CC[C@H](C1)N(C)C 1P028P2F [0,0,0,0,0,0|4,0,0]=4 114 B9R1.35 O[C@@H]1CN[C@@H](C1)C(=O)O 1P0037J1 [0,0,0,0,0,0|0,0,0]=0 115 B9R1.35 O[C@@H]1CN[C@@H](C1)C(=O)O 1P003CDR [0,0,0,0,0,0|0,0,0]=0 116 B9R1.35 O[C@@H]1CN[C@H](C1)C(=O)O 1P0032SZ [0,0,0,0,0,0|0,0,0]=0 117 B9R1.35 O[C@@H]1CN[C@H](C1)C(=O)O 1P003VEQ [0,0,0,0,0,0|0,0,0]=0 118 B9R1.35 O[C@H]1CCN(C1)C(=O)C 1P003D0C [0,0,0,0,0,0|3,0,0]=3 119 B9R1.35 O[C@H]1CC[C@@H](C1)C(=O)O 1P0095TY [0,0,0,0,0,0|1,0,0]=1 120 B9R1.35 O[C@H]1CC[C@H](C1)C(=O)O 1P01DNL5 [0,0,0,0,0,0|1,0,0]=1 121 B9R1.35 O[C@H]1CC[C@H](C1)N(C)C 1P028PRE [0,0,0,0,0,0|4,0,0]=4 122 B9R1.35 O[C@H]1CN[C@@H](C1)C(=O)O 1P00366L [0,0,0,0,0,0|0,0,0]=0 123 B9R1.35 O[C@H]1CN[C@@H](C1)C(=O)O 1P00CM8S [0,0,0,0,0,0|0,0,0]=0 124 B9R1.35 O[C@H]1CN[C@H](C1)C(=O)O 1P0039BL [0,0,0,0,0,0|0,0,0]=0 125 B9R1.35 O[C@H]1CN[C@H](C1)C(=O)O 1P003PG0 [0,0,0,0,0,0|0,0,0]=0 126 B8R1.1 CC1CC(OC1)CO 1P01BRTC [1,0,0,0,0,0|2,0,1]=4 127 B8R1.1 CCC1CC(CN1)O 1P02929C [1,0,0,0,0,0|1,0,1]=3 128 B8R1.1 CCC1NCC(C1)C 1P019TNI [1,0,0,0,0,0|2,0,1]=4 129 B8R1.1 CCC1NCC(C1)C 1P0293MK [1,0,0,0,0,0|2,0,1]=4 130 B8R1.1 COC1CCC(C1)O 1P01BHMR [1,0,0,0,0,0|3,0,0]=4 131 B8R1.1 CO[C@@H]1CC[C@@H](C1)O 1P01DY3A [1,0,0,0,0,0|3,0,0]=4 132 B8R1.1 CO[C@@H]1CC[C@H](C1)O 1P023Q3L [1,0,0,0,0,0|3,0,0]=4 133 B8R1.1 CSC1CCC(C1)O 1P028PQF [1,0,0,0,0,0|3,0,0]=4 134 B8R1.1 C[C@H]1C[C@H](NC1)CO 1P00HS97 [1,0,0,0,0,0|1,0,1]=3 135 B8R1.1 FC1CC(NC1)C#N 1P01FJY9 [1,0,0,0,0,0|2,0,1]=4 136 B8R1.1 FC[C@H]1NC[C@H](C1)F 1P00I3KC [1,0,0,0,0,0|2,0,1]=4 137 B8R1.1 F[C@H]1C[C@H](NC1)C#N 1P003C6B [1,0,0,0,0,0|2,0,1]=4 138 B8R1.1 N#CC1CCC(C1)O 1P01A29N [1,0,0,0,0,0|2,0,1]=4 139 B8R1.1 N#C[C@@H]1CC[C@H](C1)O 1P00IJD4 [1,0,0,0,0,0|2,0,1]=4 140 B8R1.1 N#C[C@H]1CC[C@H](C1)O 1P00HAVZ [1,0,0,0,0,0|2,0,1]=4 141 B8R1.1 NCC1CCC(C1)O 1P00HXLR [1,0,0,0,0,0|2,0,1]=4 142 B8R1.1 NCC1CCC(C1)O 1P01A1YL [1,0,0,0,0,0|2,0,1]=4 143 B8R1.1 NC[C@@H]1NC[C@@H](C1)O 1P028H2M [1,0,0,0,0,0|1,0,1]=3 144 B8R1.1 NC[C@@H]1NC[C@H](C1)O 1P027XNC [1,0,0,0,0,0|1,0,1]=3 145 B8R1.1 NC[C@H]1CC[C@@H](C1)O 1P008TA9 [1,0,0,0,0,0|2,0,1]=4 146 B8R1.1 NC[C@H]1C[C@H](CN1)O 1P028HHS [1,0,0,0,0,0|1,0,1]=3 147 B8R1.1 NC[C@H]1NC[C@@H](C1)O 1P028Z39 [1,0,0,0,0,0|1,0,1]=3 148 B8R1.1 NC[C@H]1NC[C@H](C1)O 1P028WGR [1,0,0,0,0,0|1,0,1]=3 149 B8R1.1 O=CC1COC(C1)C 1P027UGM [1,0,0,0,0,0|3,0,0]=4 150 B8R1.1 OCC1CC(CN1)F 1P01AGOY [1,0,0,0,0,0|1,0,1]=3 151 B8R1.1 OCC1CCC(C1)C 1P00ICCS [1,0,0,0,0,0|2,0,1]=4 152 B8R1.1 OCC1CCC(C1)F 1P01DW3W [1,0,0,0,0,0|2,0,1]=4 153 B8R1.1 OCC1CCC(C1)N 1P024QQI [1,0,0,0,0,0|2,0,1]=4 154 B8R1.1 OCC1CCC(C1)O 1P001RU1 [1,0,0,0,0,0|1,0,1]=3 155 B8R1.1 OC[C@@H]1CC[C@@H](C1)N 1P01ANXR [1,0,0,0,0,0|2,0,1]=4 156 B8R1.1 OC[C@@H]1CC[C@@H](C1)O 1P02075S [1,0,0,0,0,0|1,0,1]=3 157 B8R1.1 OC[C@@H]1CC[C@H](C1)F 1P01DYDZ [1,0,0,0,0,0|2,0,1]=4 158 B8R1.1 OC[C@@H]1C[C@@H](CN1)Cl 1P028MA0 [1,0,0,0,0,0|1,0,1]=3 159 B8R1.1 OC[C@@H]1C[C@@H](CN1)F 1P00IBHB [1,0,0,0,0,0|1,0,1]=3 160 B8R1.1 OC[C@@H]1C[C@H](CN1)F 1P00IBHC [1,0,0,0,0,0|1,0,1]=3 161 B8R1.1 OC[C@@H]1NC[C@@H](C1)O 1P0003PJ [1,0,0,0,0,0|0,0,1]=2 162 B8R1.1 OC[C@@H]1NC[C@H](C1)O 1P0006BI [1,0,0,0,0,0|0,0,1]=2 163 B8R1.1 OC[C@@H]1OC[C@@H](C1)O 1P001V7C [1,0,0,0,0,0|1,0,1]=3 164 B8R1.1 OC[C@H]1CC[C@H](C1)F 1P01DY7W [1,0,0,0,0,0|2,0,1]=4 165 B8R1.1 OC[C@H]1C[C@@H](CN1)F 1P01JUWK [1,0,0,0,0,0|1,0,1]=3 166 B8R1.1 OC[C@H]1C[C@H](CN1)F 1P01JUGA [1,0,0,0,0,0|1,0,1]=3 167 B8R1.1 OC[C@H]1NC[C@@H](C1)O 1P003IDL [1,0,0,0,0,0|0,0,1]=2 168 B8R1.1 OC[C@H]1NC[C@@H](C1)O 1P00D9MW [1,0,0,0,0,0|0,0,1]=2 169 B8R1.1 OC[C@H]1NC[C@H](C1)O 1P01AFQJ [1,0,0,0,0,0|0,0,1]=2 170 B8R1.1 OC[C@H]1OC[C@@H](C1)O 1P002RN0 [1,0,0,0,0,0|1,0,1]=3 171 B8R1.7 BrC(=C)C1CCCC1 1P028EXP [1,0,0,0,0,0|3,0,0]=4 172 B8R1.7 CC(=C)C1CCCC1 1P00E6BB [1,0,0,0,0,0|3,0,0]=4 173 B8R1.7 CC(=O)C1CCCC1 1P00354R [1,0,0,0,0,0|2,0,0]=3 174 B8R1.7 CC(=O)C1CCCO1 1P00C4ID [1,0,0,0,0,0|2,0,0]=3 175 B8R1.7 CC(=O)C1CNCC1 1P00H3IM [1,0,0,0,0,0|3,0,0]=4 176 B8R1.7 CC(=O)C1CNCC1 1P01EK9N [1,0,0,0,0,0|3,0,0]=4 177 B8R1.7 CC(=O)C1COCC1 1P0097RM [1,0,0,0,0,0|3,0,0]=4 178 B8R1.7 CC(=O)C1CSCC1 1P009O5F [1,0,0,0,0,0|3,0,0]=4 179 B8R1.7 CC(=O)C1NCCS1 1P002CHV [1,0,0,0,0,0|2,0,0]=3 180 B8R1.7 CC(=O)N1CCCC1 1P003EDH [1,0,0,0,0,0|3,0,0]=4 181 B8R1.7 CC(=O)N1CCCO1 1P0288ND [1,0,0,0,0,0|3,0,0]=4 182 B8R1.7 CC(=O)[C@@H]1CCCN1 1P00H3GI [1,0,0,0,0,0|1,0,0]=2 183 B8R1.7 CC(=O)[C@@H]1CCCO1 1P000WFC [1,0,0,0,0,0|2,0,0]=3 184 B8R1.7 CC(C1CCCC1)O 1P003HLK [1,0,0,0,0,0|2,0,1]=4 185 B8R1.7 CC(C1CCCN1)C 1P00D8KK [1,0,0,0,0,0|2,0,1]=4 186 B8R1.7 CC(C1CCCN1)C 1P00IA46 [1,0,0,0,0,0|2,0,1]=4 187 B8R1.7 CC(C1CCCN1)F 1P028GUE [1,0,0,0,0,0|2,0,1]=4 188 B8R1.7 CC(C1CCCN1)N 1P019X2G [1,0,0,0,0,0|2,0,1]=4 189 B8R1.7 CC(C1CCCN1)N 1P019Y09 [1,0,0,0,0,0|2,0,1]=4 190 B8R1.7 CC(C1CCCN1)O 1P01C881 [1,0,0,0,0,0|1,0,1]=3 191 B8R1.7 CC(C1CCCO1)O 1P019R3M [1,0,0,0,0,0|2,0,1]=4 192 B8R1.7 CC([C@@H]1CCCN1)C 1P00I9MN [1,0,0,0,0,0|2,0,1]=4 193 B8R1.7 CC([C@H]1CCCN1)C 1P00IECP [1,0,0,0,0,0|2,0,1]=4 194 B8R1.7 CC([C@H]1CCCN1)O 1P01B6RO [1,0,0,0,0,0|1,0,1]=3 195 B8R1.7 C[C@@H](C1CCCC1)O 1P01AK51 [1,0,0,0,0,0|2,0,1]=4 196 B8R1.7 C[C@@H](C1CCCO1)O 1P019T8K [1,0,0,0,0,0|2,0,1]=4 197 B8R1.7 C[C@@H]([C@@H]1CCCN1)O 1P01Z9O1 [1,0,0,0,0,0|1,0,1]=3 198 B8R1.7 C[C@@H]([C@@H]1CCCN1)O 1P01Z9OJ [1,0,0,0,0,0|1,0,1]=3 199 B8R1.7 C[C@@H]([C@@H]1CCCO1)O 1P01KZMD [1,0,0,0,0,0|2,0,1]=4 200 B8R1.7 C[C@@H]([C@H]1CCCO1)O 1P028K28 [1,0,0,0,0,0|2,0,1]=4 201 B8R1.7 C[C@H](C1CCCC1)O 1P01AKPA [1,0,0,0,0,0|2,0,1]=4 202 B8R1.7 C[C@H](C1CCCO1)O 1P019SA1 [1,0,0,0,0,0|2,0,1]=4 203 B8R1.7 ClC(=O)C1CCCC1 1P00354M [1,0,0,0,0,0|2,0,0]=3 204 B8R1.7 ClC(=O)C1CCCO1 1P00DMA3 [1,0,0,0,0,0|2,0,0]=3 205 B8R1.7 ClC(=O)C1COCC1 1P00FBU4 [1,0,0,0,0,0|3,0,0]=4 206 B8R1.7 ClC(=O)C1CSCC1 1P028ZJR [1,0,0,0,0,0|3,0,0]=4 207 B8R1.7 ClC(=O)N1CCCC1 1P000IT1 [1,0,0,0,0,0|3,0,0]=4 208 B8R1.7 FC(C1CCCN1)F 1P002689 [1,0,0,0,0,0|2,0,1]=4 209 B8R1.7 FC([C@@H]1CCCN1)F 1P001ILS [1,0,0,0,0,0|2,0,1]=4 210 B8R1.7 FC([C@H]1CCCN1)F 1P01BAUB [1,0,0,0,0,0|2,0,1]=4 211 B8R1.7 NC(=N)C1CCCC1 1P00ICA0 [1,0,0,0,0,0|3,0,0]=4 212 B8R1.7 NC(=N)C1CCCN1 1P01A788 [1,0,0,0,0,0|2,0,0]=3 213 B8R1.7 NC(=N)C1CCCO1 1P00ELJQ [1,0,0,0,0,0|3,0,0]=4 214 B8R1.7 NC(=N)C1CCCO1 1P0286BR [1,0,0,0,0,0|3,0,0]=4 215 B8R1.7 NC(=O)C1CCCC1 1P007HJK [1,0,0,0,0,0|2,0,0]=3 216 B8R1.7 NC(=O)C1CCCN1 1P000GQT [1,0,0,0,0,0|1,0,0]=2 217 B8R1.7 NC(=O)C1CCCN1 1P00BFWF [1,0,0,0,0,0|1,0,0]=2 218 B8R1.7 NC(=O)C1CCCO1 1P003V5L [1,0,0,0,0,0|2,0,0]=3 219 B8R1.7 NC(=O)C1CNCC1 1P00EKCZ [1,0,0,0,0,0|3,0,0]=4 220 B8R1.7 NC(=O)C1COCC1 1P00H484 [1,0,0,0,0,0|3,0,0]=4 221 B8R1.7 NC(=O)C1CSCN1 1P007XN0 [1,0,0,0,0,0|2,0,0]=3 222 B8R1.7 NC(=O)N1CCCC1 1P00DIWO [1,0,0,0,0,0|3,0,0]=4 223 B8R1.7 NC(=O)[C@@H]1CCCN1 1P0035GU [1,0,0,0,0,0|1,0,0]=2 224 B8R1.7 NC(=O)[C@@H]1CCCN1 1P003D4X [1,0,0,0,0,0|1,0,0]=2 225 B8R1.7 NC(=O)[C@@H]1CCCO1 1P00DE9T [1,0,0,0,0,0|2,0,0]=3 226 B8R1.7 NC(=O)[C@@H]1CNCC1 1P000Y0B [1,0,0,0,0,0|3,0,0]=4 227 B8R1.7 NC(=O)[C@H]1CCCN1 1P006W16 [1,0,0,0,0,0|1,0,0]=2 228 B8R1.7 NC(=O)[C@H]1CCCN1 1P00IBKU [1,0,0,0,0,0|1,0,0]=2 229 B8R1.7 NC(=O)[C@H]1CNCC1 1P000XF1 [1,0,0,0,0,0|3,0,0]=4 230 B8R1.7 NC(=S)C1CCCC1 1P00C7UO [1,0,0,0,0,0|2,1,0]=4 231 B8R1.7 NC(=S)C1CCCO1 1P01AJVV [1,0,0,0,0,0|2,1,0]=4 232 B8R1.7 O=C(C1=CCOC1)O 1P01JXNN [1,0,0,0,0,0|2,0,1]=4 233 B8R1.7 OB(C1CCCC1)O 1P00IBM1 [1,0,0,0,0,0|2,0,1]=4 234 B8R1.7 OC(=O)C1=CCCC1 1P001OVH [1,0,0,0,0,0|1,0,1]=3 235 B8R1.7 OC(=O)C1=CCCO1 1P018SRH [1,0,0,0,0,0|1,0,2]=4 236 B8R1.7 OC(=O)C1=CCCS1 1P01AJ4A [1,0,0,0,0,0|1,0,2]=4 237 B8R1.7 OC(=O)C1=CCNC1 1P028OIS [1,0,0,0,0,0|2,0,1]=4 238 B8R1.7 OC(=O)C1=COCC1 1P00IKH9 [1,0,0,0,0,0|2,0,1]=4 239 B8R1.7 OC(=O)C1=NOCC1 1P01AG5J [1,0,0,0,0,0|1,0,2]=4 240 B8R1.7 OC(=O)C1CC=CC1 1P003JTD [1,0,0,0,0,0|1,0,2]=4 241 B8R1.7 OC(=O)C1CCC=C1 1P002NU7 [1,0,0,0,0,0|1,0,1]=3 242 B8R1.7 OC(=O)C1CCCC1 1P003PN2 [1,0,0,0,0,0|1,0,0]=2 243 B8R1.7 OC(=O)C1CCCN1 1P003QB6 [1,0,0,0,0,0|0,0,0]=1 244 B8R1.7 OC(=O)C1CCCN1 1P019VB2 [1,0,0,0,0,0|0,0,0]=1 245 B8R1.7 OC(=O)C1CCCO1 1P001YQG [1,0,0,0,0,0|1,0,0]=2 246 B8R1.7 OC(=O)C1CCCS1 1P00ARL8 [1,0,0,0,0,0|1,0,0]=2 247 B8R1.7 OC(=O)C1CCNO1 1P01EKGI [1,0,0,0,0,0|2,0,0]=3 248 B8R1.7 OC(=O)C1CNCC1 1P003KD1 [1,0,0,0,0,0|2,0,0]=3 249 B8R1.7 OC(=O)C1CNCC1 1P00661O [1,0,0,0,0,0|2,0,0]=3 250 B8R1.7 OC(=O)C1COCC1 1P00GSP3 [1,0,0,0,0,0|2,0,0]=3 251 B8R1.7 OC(=O)C1COCN1 1P001TF6 [1,0,0,0,0,0|1,0,0]=2 252 B8R1.7 OC(=O)C1CSCC1 1P00B6RR [1,0,0,0,0,0|2,0,0]=3 253 B8R1.7 OC(=O)C1CSCN1 1P002UJX [1,0,0,0,0,0|1,0,0]=2 254 B8R1.7 OC(=O)C1CSSC1 1P00BFH2 [1,0,0,0,0,0|3,0,0]=4 255 B8R1.7 OC(=O)C1NCC=C1 1P003IW1 [1,0,0,0,0,0|0,0,2]=3 256 B8R1.7 OC(=O)C1NCC=C1 1P01EMGG [1,0,0,0,0,0|0,0,2]=3 257 B8R1.7 OC(=O)C1NCCS1 1P001U81 [1,0,0,0,0,0|1,0,0]=2 258 B8R1.7 OC(=O)C1OCC=C1 1P00BDV6 [1,0,0,0,0,0|1,0,2]=4 259 B8R1.7 OC(=O)C1OCCO1 1P01I7AE [1,0,0,0,0,0|2,0,0]=3 260 B8R1.7 OC(=O)C1SCC=C1 1P01GC5N [1,0,0,0,0,0|1,0,2]=4 261 B8R1.7 OC(=O)C1SCCS1 1P00DW6Q [1,0,0,0,0,0|2,0,0]=3 262 B8R1.7 OC(=O)[C@@H]1CCCN1 1P0035JG [1,0,0,0,0,0|0,0,0]=1 263 B8R1.7 OC(=O)[C@@H]1CCCN1 1P005891 [1,0,0,0,0,0|0,0,0]=1 264 B8R1.7 OC(=O)[C@@H]1CCCO1 1P0032WH [1,0,0,0,0,0|1,0,0]=2 265 B8R1.7 OC(=O)[C@@H]1CNCC1 1P003CYR [1,0,0,0,0,0|2,0,0]=3 266 B8R1.7 OC(=O)[C@@H]1CNCC1 1P008UVS [1,0,0,0,0,0|2,0,0]=3 267 B8R1.7 OC(=O)[C@@H]1COCC1 1P001YHV [1,0,0,0,0,0|2,0,0]=3 268 B8R1.7 OC(=O)[C@@H]1COCN1 1P003D4U [1,0,0,0,0,0|1,0,0]=2 269 B8R1.7 OC(=O)[C@@H]1CSCN1 1P0035JH [1,0,0,0,0,0|1,0,0]=2 270 B8R1.7 OC(=O)[C@@H]1NCC=C1 1P00E9QJ [1,0,0,0,0,0|0,0,2]=3 271 B8R1.7 OC(=O)[C@H]1CCCN1 1P00359V [1,0,0,0,0,0|0,0,0]=1 272 B8R1.7 OC(=O)[C@H]1CCCO1 1P0032US [1,0,0,0,0,0|1,0,0]=2 273 B8R1.7 OC(=O)[C@H]1CNCC1 1P003CK9 [1,0,0,0,0,0|2,0,0]=3 274 B8R1.7 OC(=O)[C@H]1CNCC1 1P008UR5 [1,0,0,0,0,0|2,0,0]=3 275 B8R1.7 OC(=O)[C@H]1COCC1 1P00FBCC [1,0,0,0,0,0|2,0,0]=3 276 B8R1.7 OC(=O)[C@H]1CSCN1 1P00I8ZG [1,0,0,0,0,0|1,0,0]=2 277 B8R1.7 OC(=O)[C@H]1NCC=C1 1P002DVL [1,0,0,0,0,0|0,0,2]=3 278 B8R1.7 OC(=O)[C@H]1NCC=C1 1P003IW2 [1,0,0,0,0,0|0,0,2]=3 279 B8R1.7 [O-]C(=O)[C@@H]1CCCN1 1P00AQX8 [1,0,0,0,0,0|0,0,1]=2 280 B8R1.7 [O-]S(=O)C1CCCC1 1P01C8P8 [1,0,0,0,0,0|2,0,1]=4 281 B8R1.7 [O-][N+](=O)C1CCCC1 1P003TLS [1,0,0,0,0,0|2,0,1]=4 282 B10R1.14 CCC(=O)N1CCC(C1)O 1P01A0HY [0,1,0,0,0,0|3,0,0]=4 283 B10R1.14 CNC(=O)[C@@H]1C[C@H](CN1)F 1P01EIEW [0,1,0,0,0,0|2,0,0]=3 284 B10R1.14 CNC(=O)[C@@H]1C[C@H](CN1)O 1P0289QL [0,1,0,0,0,0|1,0,0]=2 285 B10R1.14 CNC(=O)[C@H]1C[C@@H](CN1)O 1P028WYF [0,1,0,0,0,0|1,0,0]=2 286 B10R1.14 COC(=O)C1=CCC(C1)N 1P01BVLU [0,1,0,0,0,0|2,0,1]=4 287 B10R1.14 COC(=O)C1C=CC(C1)N 1P00G2TF [0,1,0,0,0,0|2,0,1]=4 288 B10R1.14 COC(=O)C1CC(=O)CO1 1P01EC4Q [0,1,0,0,0,0|1,0,2]=4 289 B10R1.14 COC(=O)C1CCC(=O)C1 1P00C7M8 [0,1,0,0,0,0|1,0,2]=4 290 B10R1.14 COC(=O)C1CCC(C1)Br 1P000W21 [0,1,0,0,0,0|2,0,0]=3 291 B10R1.14 COC(=O)C1CCC(C1)F 1P01BVFW [0,1,0,0,0,0|2,0,0]=3 292 B10R1.14 COC(=O)C1CCC(C1)N 1P001C71 [0,1,0,0,0,0|2,0,0]=3 293 B10R1.14 COC(=O)C1CCC(C1)N 1P00BJDD [0,1,0,0,0,0|2,0,0]=3 294 B10R1.14 COC(=O)C1CCC(C1)O 1P00CJ9D [0,1,0,0,0,0|1,0,0]=2 295 B10R1.14 COC(=O)C1CCN(C1)C 1P00CLQU [0,1,0,0,0,0|3,0,0]=4 296 B10R1.14 COC(=O)N1CCC(C1)N 1P019RFZ [0,1,0,0,0,0|3,0,0]=4 297 B10R1.14 COC(=O)N1CCC(C1)O 1P00GKIT [0,1,0,0,0,0|2,0,0]=3 298 B10R1.14 COC(=O)[C@@H]1CC(=C)CN1 1P01BU6S [0,1,0,0,0,0|1,0,1]=3 299 B10R1.14 COC(=O)[C@@H]1CC(=O)CN1 1P02879W [0,1,0,0,0,0|0,0,2]=3 300 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 1P0010LX [0,1,0,0,0,0|1,0,2]=4 301 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N 1P00228C [0,1,0,0,0,0|2,0,0]=3 302 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)O 1P002014 [0,1,0,0,0,0|1,0,0]=2 303 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)C 1P00AF41 [0,1,0,0,0,0|2,0,0]=3 304 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N 1P003AU9 [0,1,0,0,0,0|2,0,0]=3 305 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)O 1P00GADQ [0,1,0,0,0,0|1,0,0]=2 306 B10R1.14 COC(=O)[C@@H]1C[C@@H](C=C1)N 1P00I8PB [0,1,0,0,0,0|2,0,1]=4 307 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)Cl 1P0284MQ [0,1,0,0,0,0|1,0,0]=2 308 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)F 1P00EAFZ [0,1,0,0,0,0|1,0,0]=2 309 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)O 1P0035LQ [0,1,0,0,0,0|0,0,0]=1 310 B10R1.14 COC(=O)[C@@H]1C[C@@H](CS1)N 1P024H5L [0,1,0,0,0,0|2,0,0]=3 311 B10R1.14 COC(=O)[C@@H]1C[C@H](C=C1)N 1P0282BM [0,1,0,0,0,0|2,0,1]=4 312 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)F 1P000S43 [0,1,0,0,0,0|1,0,0]=2 313 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)F 1P00EAFI [0,1,0,0,0,0|1,0,0]=2 314 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)O 1P003VER [0,1,0,0,0,0|0,0,0]=1 315 B10R1.14 COC(=O)[C@@H]1NC[C@H](C1)C 1P027Q19 [0,1,0,0,0,0|1,0,0]=2 316 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 1P0010LW [0,1,0,0,0,0|1,0,2]=4 317 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N 1P0096TT [0,1,0,0,0,0|2,0,0]=3 318 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)O 1P00ARLB [0,1,0,0,0,0|1,0,0]=2 319 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N 1P00ASTM [0,1,0,0,0,0|2,0,0]=3 320 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)O 1P00GADR [0,1,0,0,0,0|1,0,0]=2 321 B10R1.14 COC(=O)[C@H]1CC[C@H](O1)C 1P01AMHA [0,1,0,0,0,0|3,0,0]=4 322 B10R1.14 COC(=O)[C@H]1C[C@@H](C=C1)N 1P0283VY [0,1,0,0,0,0|2,0,1]=4 323 B10R1.14 COC(=O)[C@H]1C[C@@H](CN1)F 1P01R6PY [0,1,0,0,0,0|1,0,0]=2 324 B10R1.14 COC(=O)[C@H]1C[C@@H](CN1)O 1P003AAO [0,1,0,0,0,0|0,0,0]=1 325 B10R1.14 COC(=O)[C@H]1C[C@H](C=C1)N 1P002M5B [0,1,0,0,0,0|2,0,1]=4 326 B10R1.14 COC(=O)[C@H]1C[C@H](CN1)F 1P001K98 [0,1,0,0,0,0|1,0,0]=2 327 B10R1.14 COC(=O)[C@H]1C[C@H](CN1)O 1P000FHO [0,1,0,0,0,0|0,0,0]=1 328 B10R1.14 COC(=O)[C@H]1NC[C@@H](C1)N 1P027Y6H [0,1,0,0,0,0|1,0,0]=2 329 B10R1.14 COC(=O)[C@H]1NC[C@H](C1)C 1P027Q18 [0,1,0,0,0,0|1,0,0]=2 330 B10R1.14 NNC(=O)[C@@H]1C[C@H](CN1)O 1P027VHA [0,1,0,0,0,0|1,0,0]=2 331 B10R1.14 NNC(=O)[C@H]1C[C@@H](CN1)O 1P027WAY [0,1,0,0,0,0|1,0,0]=2 332 B10R1.31 C#C[C@H]1CC[C@H](N1)C(=O)O 1P027YIA [0,1,0,0,0,0|3,0,0]=4 333 B10R1.31 CCC1CCC(C1)C(=O)O 1P028ZQN [0,1,0,0,0,0|2,0,0]=3 334 B10R1.31 CCC1CCC(N1)C(=O)O 1P01C5LJ [0,1,0,0,0,0|3,0,0]=4 335 B10R1.31 CCC1CCC(O1)C(=O)O 1P00G93V [0,1,0,0,0,0|3,0,0]=4 336 B10R1.31 CCN1CCC(C1)C(=O)O 1P00DDBS [0,1,0,0,0,0|3,0,0]=4 337 B10R1.31 CCN1CCC(C1)C(=O)O 1P0282QZ [0,1,0,0,0,0|3,0,0]=4 338 B10R1.31 CC[C@@H]1CC[C@@H](O1)C(=O)O 1P028D15 [0,1,0,0,0,0|3,0,0]=4 339 B10R1.31 CC[C@@H]1CN[C@@H](C1)C(=O)O 1P028TD5 [0,1,0,0,0,0|1,0,0]=2 340 B10R1.31 COC1CCC(C1)C(=O)O 1P01B5TX [0,1,0,0,0,0|1,0,0]=2 341 B10R1.31 COC1CCN(C1)C(=O)Cl 1P027VNT [0,1,0,0,0,0|3,0,0]=4 342 B10R1.31 COC1CNC(C1)C(=O)N 1P01A578 [0,1,0,0,0,0|1,0,0]=2 343 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)N 1P01C1ZY [0,1,0,0,0,0|1,0,0]=2 344 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)O 1P01BKQV [0,1,0,0,0,0|0,0,0]=1 345 B10R1.31 CO[C@H]1CCN(C1)C(=O)Cl 1P01FI2C [0,1,0,0,0,0|3,0,0]=4 346 B10R1.31 CO[C@H]1CN[C@@H](C1)C(=O)O 1P00GGFK [0,1,0,0,0,0|0,0,0]=1 347 B10R1.31 CO[C@H]1CN[C@@H](C1)C(=O)O 1P01RXKP [0,1,0,0,0,0|0,0,0]=1 348 B10R1.31 N#CC1CCC(C1)C(=O)O 1P020LED [0,1,0,0,0,0|2,0,0]=3 349 B10R1.31 N#CC1CCC(C1)C(=O)[O-] 1P0281Z6 [0,1,0,0,0,0|2,0,1]=4 350 B10R1.31 NCC1OCC(C1)C(=O)O 1P028DH3 [0,1,0,0,0,0|3,0,0]=4 351 B10R1.31 O=NN1CCC(C1)C(=O)O 1P028BIU [0,1,0,0,0,0|2,0,1]=4 352 B10R1.31 OC[C@@H]1CCN(C1)C(=O)C 1P024W8X [0,1,0,0,0,0|3,0,0]=4 353 B10R1.55 F[C@@H]1CN[C@@H](C1)C(O)(C)C 1P027V4D [0,1,0,0,0,0|2,0,1]=4 354 B10R1.55 F[C@H]1CN[C@@H](C1)C(O)(C)C 1P027UPM [0,1,0,0,0,0|2,0,1]=4 355 B10R1.55 OC1CCC(C1)S(=O)(=N)C 1P028BE8 [0,1,0,0,0,0|3,0,0]=4 356 B10R1.55 OC1CCC(C1)S(=O)(=O)C 1P019UI0 [0,1,0,0,0,0|2,0,1]=4 357 B10R1.55 OC1CNC(C1)C(F)(F)F 1P028XKL [0,1,0,0,0,0|2,0,1]=4 358 B10R1.55 O[C@@H]1CC[C@@H](C1)S(=O)(=O)F 1P028T81 [0,1,0,0,0,0|2,0,1]=4 359 B10R1.55 O[C@@H]1CN[C@@H](C1)C(O)(C)C 1P027XCT [0,1,0,0,0,0|1,0,1]=3 360 B10R1.55 O[C@@H]1CN[C@H](C1)C(O)(C)C 1P027VT1 [0,1,0,0,0,0|1,0,1]=3 361 B10R1.55 O[C@H]1CC[C@H](C1)S(=O)(=N)C 1P028JWI [0,1,0,0,0,0|3,0,0]=4 362 B10R1.58 F[C@@H]1CC(C[C@@H]1F)C(=O)O 1P0201AR [0,1,0,0,0,0|2,0,0]=3 363 B10R1.58 F[C@@H]1CC(C[C@H]1O)C(=O)O 1P028OKJ [0,1,0,0,0,0|1,0,0]=2 364 B10R1.58 OC(=O)C1CC(=O)N(C1)O 1P01Q8BL [0,1,0,0,0,0|2,0,1]=4 365 B10R1.58 OC(=O)C1NC(=O)N(C1)C 1P01C3ZW [0,1,0,0,0,0|2,0,1]=4 366 B10R1.58 OC(=O)[C@@H]1CN([C@@H](C1)C)C 1P028NYF [0,1,0,0,0,0|3,0,0]=4 367 B10R1.58 OC(=O)[C@@H]1NC(=O)N(C1)C 1P02911K [0,1,0,0,0,0|2,0,1]=4 368 B10R1.58 OC(=O)[C@H]1NC(=O)N(C1)C 1P01FMHH [0,1,0,0,0,0|2,0,1]=4 369 B10R1.58 OC(=O)[C@H]1NC(=O)[C@@H](C1)F 1P00BG73 [0,1,0,0,0,0|1,0,1]=3 370 B10R1.58 O[C@@H]1C[C@@H](C[C@@H]1N)C(=O)O 1P0283FB [0,1,0,0,0,0|1,0,0]=2 371 B10R1.58 O[C@@H]1C[C@H](C[C@H]1N)C(=O)O 1P028018 [0,1,0,0,0,0|1,0,0]=2 372 B10R1.58 O[C@H]1C[C@H](C[C@H]1N)C(=O)O 1P028W6E [0,1,0,0,0,0|1,0,0]=2 373 B10R1.59 CC1CC(C(=O)O1)C(=O)O 1P028IV4 [0,1,0,0,0,0|3,0,0]=4 374 B10R1.59 CC1CC(C(O1)C(=O)O)C 1P01BHX3 [0,1,0,0,0,0|3,0,0]=4 375 B10R1.59 CC1OC(C(C1)C(=O)O)C 1P01C0VR [0,1,0,0,0,0|3,0,0]=4 376 B10R1.59 CN1CC(C(C1)C(=O)O)C 1P01BCZW [0,1,0,0,0,0|3,0,0]=4 377 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)O)C 1P00IL6G [0,1,0,0,0,0|1,0,0]=2 378 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)O)F 1P01C1NJ [0,1,0,0,0,0|1,0,0]=2 379 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)F 1P0283N8 [0,1,0,0,0,0|1,0,0]=2 380 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)N 1P00J2PK [0,1,0,0,0,0|1,0,0]=2 381 B10R1.59 O[C@@H]1CN([C@@H](C1)C(=O)O)C 1P0061TW [0,1,0,0,0,0|0,0,0]=1 382 B10R1.59 O[C@@H]1CN([C@H](C1)C(=O)O)C 1P01PZL1 [0,1,0,0,0,0|0,0,0]=1 383 B10R1.59 O[C@H]1CN([C@@H](C1)C(=O)O)C 1P01GD2U [0,1,0,0,0,0|0,0,0]=1 384 B10R1.59 O[C@H]1CN([C@H](C1)C(=O)O)C 1P01IW7E [0,1,0,0,0,0|0,0,0]=1 385 B10R1.194 CN1CCC(C1C)C(=O)O 1P01BE2J [0,1,0,0,0,0|3,0,0]=4 386 B10R1.194 O[C@@H]1CN[C@H]([C@@H]1O)C(=O)O 1P028TM2 [0,1,0,0,0,0|0,0,0]=1 387 B10R1.359 CC(=O)C1CCC(C1)(F)F 1P00HFRQ [0,1,0,0,0,0|3,0,0]=4 388 B10R1.359 NC(=O)[C@@H]1NCC(C1)(F)F 1P000ZRK [0,1,0,0,0,0|2,0,0]=3 389 B10R1.359 NC(=O)[C@H]1NCC(C1)(F)F 1P003D2Y [0,1,0,0,0,0|2,0,0]=3 390 B10R1.359 OC(=O)C1CCC(C1)(C)C 1P00FPV7 [0,1,0,0,0,0|2,0,0]=3 391 B10R1.359 OC(=O)C1CCC(C1)(F)F 1P000S14 [0,1,0,0,0,0|2,0,0]=3 392 B10R1.359 OC(=O)C1CCC(N1)(C)C 1P01AG1Z [0,1,0,0,0,0|3,0,0]=4 393 B10R1.359 OC(=O)C1CCC(O1)(C)C 1P01BFVW [0,1,0,0,0,0|3,0,0]=4 394 B10R1.359 OC(=O)C1CCS(=O)(=O)C1 1P006Z50 [0,1,0,0,0,0|2,0,1]=4 395 B10R1.359 OC(=O)C1CC[Si](C1)(C)C 1P01XLPX [0,1,0,0,0,0|2,1,0]=4 396 B10R1.359 OC(=O)C1CNC(C1)(C)C 1P028UAM [0,1,0,0,0,0|3,0,0]=4 397 B10R1.359 OC(=O)C1NCC(C1)(C)C 1P01FIWU [0,1,0,0,0,0|1,0,0]=2 398 B10R1.359 OC(=O)C1NCC(C1)(F)F 1P019RYL [0,1,0,0,0,0|1,0,0]=2 399 B10R1.359 OC(=O)C1OCC(C1)(C)C 1P027TQ6 [0,1,0,0,0,0|2,0,0]=3 400 B10R1.359 OC(=O)C1OCC(C1)(F)F 1P027XKV [0,1,0,0,0,0|2,0,0]=3 401 B10R1.359 OC(=O)C1SCC(C1)(F)F 1P028Q8L [0,1,0,0,0,0|2,0,0]=3 402 B10R1.359 OC(=O)[C@@H]1CCC(C1)(F)F 1P00HUGI [0,1,0,0,0,0|2,0,0]=3 403 B10R1.359 OC(=O)[C@@H]1CCC(N1)(C)C 1P001EY4 [0,1,0,0,0,0|3,0,0]=4 404 B10R1.359 OC(=O)[C@@H]1NCC(C1)(C)C 1P009KFL [0,1,0,0,0,0|1,0,0]=2 405 B10R1.359 OC(=O)[C@@H]1NCC(C1)(F)F 1P001D8B [0,1,0,0,0,0|1,0,0]=2 406 B10R1.359 OC(=O)[C@@H]1NCC(C1)(F)F 1P019GH8 [0,1,0,0,0,0|1,0,0]=2 407 B10R1.359 OC(=O)[C@@H]1OCC(C1)(F)F 1P0293TO [0,1,0,0,0,0|2,0,0]=3 408 B10R1.359 OC(=O)[C@H]1CCC(C1)(F)F 1P001D94 [0,1,0,0,0,0|2,0,0]=3 409 B10R1.359 OC(=O)[C@H]1NCC(C1)(C)C 1P01DLC5 [0,1,0,0,0,0|1,0,0]=2 410 B10R1.359 OC(=O)[C@H]1NCC(C1)(F)F 1P001RET [0,1,0,0,0,0|1,0,0]=2 411 B10R1.359 OC(=O)[C@H]1NCC(C1)(F)F 1P007M19 [0,1,0,0,0,0|1,0,0]=2 412 B10R1.359 OC(=O)[C@H]1NCC(C1)(F)F 1P00DCUO [0,1,0,0,0,0|1,0,0]=2 413 B10R1.359 OC(=O)[C@H]1OCC(C1)(F)F 1P0293S1 [0,1,0,0,0,0|2,0,0]=3 414 B10R1.470 CC1CCC(C1)(C)C(=O)O 1P01A1N3 [0,1,0,0,0,0|2,0,0]=3 415 B10R1.470 CC1CCC(C1)(N)C(=O)O 1P01FIWZ [0,1,0,0,0,0|2,0,0]=3 416 B10R1.470 CN1CCC(C1)(C)C(=O)O 1P003ASP [0,1,0,0,0,0|3,0,0]=4 417 B10R1.470 CN1CCC(C1)(C)C(=O)O 1P028290 [0,1,0,0,0,0|3,0,0]=4 418 B10R1.470 CN1CCC(C1)(F)C(=O)O 1P0193V9 [0,1,0,0,0,0|3,0,0]=4 419 B10R1.470 NC1CCC(C1)(C)C(=O)O 1P01ELVR [0,1,0,0,0,0|2,0,0]=3 420 B10R1.470 NC1CCC(C1)(F)C(=O)O 1P01B8NW [0,1,0,0,0,0|2,0,0]=3 421 B10R1.470 O=C1CCC(C1)(C)C(=O)O 1P01AF0U [0,1,0,0,0,0|1,0,2]=4 422 B10R1.470 OC1CNC(C1)(C)C(=O)O 1P01B5RP [0,1,0,0,0,0|0,0,0]=1 423 B8R0.8 CC(=CCCC)C(=O)O 1P002XFF [0,0,1,0,0,0|2,0,1]=4 424 B8R0.8 CC(C(=O)O)CCCC 1P00704O [0,0,1,0,0,0|2,0,0]=3 425 B8R0.8 CC(C(=O)O)CCCN 1P01A3FH [0,0,1,0,0,0|2,0,0]=3 426 B8R0.8 CC(C(=O)O)CCOC 1P019Q7O [0,0,1,0,0,0|3,0,0]=4 427 B8R0.8 CC(C(=O)O)CNCC 1P01AA4Z [0,0,1,0,0,0|3,0,0]=4 428 B8R0.8 CC(C(=O)O)COCC 1P0292MN [0,0,1,0,0,0|3,0,0]=4 429 B8R0.8 CC(C(=O)O)OCC#C 1P01APH7 [0,0,1,0,0,0|2,0,1]=4 430 B8R0.8 CC(C(=O)O)OCC=C 1P019YF6 [0,0,1,0,0,0|2,0,1]=4 431 B8R0.8 CC(C(=O)O)OCCC 1P00F0M9 [0,0,1,0,0,0|2,0,0]=3 432 B8R0.8 CC(C(=O)O)SCC=C 1P00DD1O [0,0,1,0,0,0|2,0,1]=4 433 B8R0.8 CCCCC(C(=O)C)C 1P007NXP [0,0,1,0,0,0|3,0,0]=4 434 B8R0.8 CCCCC(C(=O)O)Br 1P003H8L [0,0,1,0,0,0|3,0,0]=4 435 B8R0.8 CCCCC(C(=O)O)F 1P01FNJ3 [0,0,1,0,0,0|3,0,0]=4 436 B8R0.8 CCCCC(C(=O)O)O 1P003HW9 [0,0,1,0,0,0|3,0,0]=4 437 B8R0.8 CCCC[C@@H](C(=O)O)N 1P00I6OO [0,0,1,0,0,0|3,0,0]=4 438 B8R0.8 CCCC[C@H](C(=O)O)N 1P00I6ON [0,0,1,0,0,0|3,0,0]=4 439 B8R0.8 CCCNC(=O)C(=O)O 1P0058KI [0,0,1,0,0,0|2,0,1]=4 440 B8R0.8 C[C@@H](C(=O)O)CCC=C 1P0292TP [0,0,1,0,0,0|2,0,1]=4 441 B8R0.8 C[C@@H](C(=O)O)OCOC 1P028NYU [0,0,1,0,0,0|3,0,0]=4 442 B8R0.8 C[C@H](C(=O)O)CCCBr 1P028I05 [0,0,1,0,0,0|2,0,0]=3 443 B8R0.8 C\C(=C/CCN)\C(=O)O 1P028ULS [0,0,1,0,0,0|2,0,1]=4 444 B8R0.8 NC(C(=O)O)CCCF 1P028WMJ [0,0,1,0,0,0|3,0,0]=4 445 B8R0.8 NC(C(=O)O)CCCN 1P00BCW6 [0,0,1,0,0,0|3,0,0]=4 446 B8R0.8 NC(C(=O)O)CCCN 1P00HBCP [0,0,1,0,0,0|3,0,0]=4 447 B8R0.8 NCCC[C@@H](C(=O)O)N 1P003RTT [0,0,1,0,0,0|3,0,0]=4 448 B8R0.8 N[C@@H](C(=O)O)CCCN 1P0039DT [0,0,1,0,0,0|3,0,0]=4 449 B8R0.8 N[C@H](C(=O)O)CCCCl 1P028N8J [0,0,1,0,0,0|3,0,0]=4 450 B8R0.8 N[C@H](C(=O)O)CCCN 1P00378H [0,0,1,0,0,0|3,0,0]=4 451 B8R0.8 N[C@H](C(=O)O)CCCN 1P00IB4Y [0,0,1,0,0,0|3,0,0]=4 452 B8R0.8 OCCC[C@@H](C(=O)O)N 1P003D1M [0,0,1,0,0,0|2,0,0]=3 453 B8R0.8 OCCC[C@H](C(=O)O)N 1P01B7SX [0,0,1,0,0,0|2,0,0]=3 454 B8R0.8 [O-]C(=O)C(CCCO)C 1P028SW7 [0,0,1,0,0,0|1,0,1]=3 455 B8R0.8 [O-]C(=O)C(CCCO)O 1P01B5NB [0,0,1,0,0,0|2,0,1]=4 456 B8R0.9 C(C)(=O)OCC(O)CO 1P01FWQ5 [0,0,1,0,0,0|3,0,0]=4 457 B8R0.9 CC(=O)OCC(CCl)O 1P00BKOC [0,0,1,0,0,0|3,0,0]=4 458 B8R0.9 CC(C#N)CCC(=O)O 1P028YKK [0,0,1,0,0,0|1,0,2]=4 459 B8R0.9 CC(CC)CCC(=O)O 1P001OZD [0,0,1,0,0,0|2,0,0]=3 460 B8R0.9 CC(CN)CCC(=O)O 1P01A3KI [0,0,1,0,0,0|1,0,0]=2 461 B8R0.9 CC(CN)CNC(=O)C 1P009FP3 [0,0,1,0,0,0|3,0,0]=4 462 B8R0.9 CC(NCC(=O)O)CC 1P019UYV [0,0,1,0,0,0|3,0,0]=4 463 B8R0.9 CC(OC)CCC(=O)O 1P01A6MQ [0,0,1,0,0,0|3,0,0]=4 464 B8R0.9 CC(OCC(=O)O)CC 1P01A2G6 [0,0,1,0,0,0|3,0,0]=4 465 B8R0.9 CC(SC)CCC(=O)O 1P01A4ZX [0,0,1,0,0,0|3,0,0]=4 466 B8R0.9 CCC(=O)CCC(=O)O 1P007SOU [0,0,1,0,0,0|1,0,2]=4 467 B8R0.9 CCC(CCC(=O)C)C 1P0023WR [0,0,1,0,0,0|3,0,0]=4 468 B8R0.9 CCC(CCC(=O)Cl)Cl 1P00IKRX [0,0,1,0,0,0|3,0,0]=4 469 B8R0.9 CCC(CCC(=O)O)N 1P00JEB8 [0,0,1,0,0,0|2,0,0]=3 470 B8R0.9 CCS(=O)CCC(=O)O 1P0013NZ [0,0,1,0,0,0|2,0,1]=4 471 B8R0.9 CN(CC)CCC(=O)O 1P00J2A1 [0,0,1,0,0,0|3,0,0]=4 472 B8R0.9 NC(C=C)CCC(=O)O 1P001AQX [0,0,1,0,0,0|2,0,1]=4 473 B8R0.9 NC(C=C)CCC(=O)O 1P00FBZQ [0,0,1,0,0,0|2,0,1]=4 474 B8R0.9 NC(CF)CCC(=O)O 1P01BE8X [0,0,1,0,0,0|2,0,0]=3 475 B8R0.9 NCC(=O)CCC(=O)O 1P0036A6 [0,0,1,0,0,0|0,0,2]=3 476 B8R0.9 NCC(=O)CCC(=O)O 1P004JJP [0,0,1,0,0,0|0,0,2]=3 477 B8R0.9 NCC(=O)CCC(=O)O 1P00HB7B [0,0,1,0,0,0|0,0,2]=3 478 B8R0.9 NCC(=O)NCC(=O)O 1P000V5I [0,0,1,0,0,0|1,0,2]=4 479 B8R0.9 NCC(=O)NCC(=O)O 1P003944 [0,0,1,0,0,0|1,0,2]=4 480 B8R0.9 NCC(=O)NCC(=O)O 1P00BCV0 [0,0,1,0,0,0|1,0,2]=4 481 B8R0.9 NCC(CCC(=O)O)N 1P01AI1W [0,0,1,0,0,0|1,0,0]=2 482 B8R0.9 NCC(CNC(=O)N)O 1P01FIBV [0,0,1,0,0,0|2,0,0]=3 483 B8R0.9 NC[C@@H](CCC(=O)O)N 1P02403U [0,0,1,0,0,0|1,0,0]=2 484 B8R0.9 NC[C@H](CCC(=O)O)N 1P021JBW [0,0,1,0,0,0|1,0,0]=2 485 B8R0.9 NNC(=O)CCC(=O)O 1P002FL8 [0,0,1,0,0,0|1,0,2]=4 486 B8R0.9 N[C@H](C=C)CCC(=O)O 1P00FE8S [0,0,1,0,0,0|2,0,1]=4 487 B8R0.9 N[C@H](CF)CCC(=O)O 1P01BDS0 [0,0,1,0,0,0|2,0,0]=3 488 B8R0.9 OC(=O)CCC(=O)CBr 1P001E0A [0,0,1,0,0,0|1,0,2]=4 489 B8R0.9 OCP(=O)CCC(=O)O 1P001NED [0,0,1,0,0,0|2,0,1]=4 490 B8R0.9 OC[C@H](CCC(=O)O)N 1P01C6Z9 [0,0,1,0,0,0|2,0,0]=3 491 B8R0.9 [O-]C(=O)CCC(CC)O 1P01XCZ8 [0,0,1,0,0,0|1,0,1]=3 492 B8R0.9 [O-]C(=O)CCC(CN)O 1P01FIBT [0,0,1,0,0,0|0,0,1]=2 493 B8R0.9 [O-]C(=O)CCC(CO)C 1P0290FV [0,0,1,0,0,0|2,0,1]=4 494 B8R0.15 CCC(C(=O)O)CC=C 1P01NFWM [0,0,1,0,0,0|2,0,1]=4 495 B8R0.15 CCCC(C(=O)O)C#N 1P020LD3 [0,0,1,0,0,0|3,0,0]=4 496 B8R0.15 CCCC(C(=O)O)CC 1P0028M8 [0,0,1,0,0,0|2,0,0]=3 497 B8R0.15 CCCC(C(=O)O)CN 1P009TDK [0,0,1,0,0,0|3,0,0]=4 498 B8R0.15 CCCC(C(=O)O)CN 1P028VGF [0,0,1,0,0,0|3,0,0]=4 499 B8R0.15 CCCC(C(=O)O)OC 1P01ANP7 [0,0,1,0,0,0|2,0,0]=3 500 B8R0.15 CCC[C@@H](C(=O)O)NC 1P00AL29 [0,0,1,0,0,0|1,0,0]=2 501 B8R0.15 CCC[C@H](C(=O)O)NC 1P00FH2H [0,0,1,0,0,0|1,0,0]=2 502 B8R0.15 CCNC(C(=O)O)CC 1P01FIX6 [0,0,1,0,0,0|3,0,0]=4 503 B8R0.15 CCOC(C(=O)O)CC 1P019XQM [0,0,1,0,0,0|3,0,0]=4 504 B8R0.15 COC(C(=O)O)CC=C 1P027Y0Q [0,0,1,0,0,0|2,0,1]=4 505 B8R0.15 COC(C(=O)O)CCN 1P01ALUU [0,0,1,0,0,0|2,0,0]=3 506 B8R0.15 COCC(C(=O)O)CC 1P028ZFG [0,0,1,0,0,0|3,0,0]=4 507 B8R0.15 COCC(C(=O)O)NC 1P01ELVV [0,0,1,0,0,0|2,0,0]=3 508 B8R0.15 COCC(C(=O)O)OC 1P007XYT [0,0,1,0,0,0|3,0,0]=4 509 B8R0.15 COC[C@@H](C(=O)N)NC 1P01ALV3 [0,0,1,0,0,0|3,0,0]=4 510 B8R0.15 COC[C@H](C(=O)N)NC 1P01AM8J [0,0,1,0,0,0|3,0,0]=4 511 B8R0.15 CO[C@@H](C(=O)O)CCN 1P027X7D [0,0,1,0,0,0|2,0,0]=3 512 B8R0.15 CSCC(C(=O)O)OC 1P02881M [0,0,1,0,0,0|3,0,0]=4 513 B8R0.15 NCCC(C(=O)O)CC 1P01AV52 [0,0,1,0,0,0|2,0,0]=3 514 B8R0.15 OCCC(C(F)F)NC 1P028HU5 [0,0,1,0,0,0|2,0,1]=4 515 B8R0.15 OCC[C@@H](C(=O)O)NC 1P027RGT [0,0,1,0,0,0|0,0,0]=1 516 B8R0.15 OCC[C@H](C(=O)O)NC 1P028CSJ [0,0,1,0,0,0|0,0,0]=1 517 B8R0.23 BrC(=C)C[C@@H](C(=O)O)N 1P001NL1 [0,0,1,0,0,0|1,0,2]=4 518 B8R0.23 BrC(=C)C[C@H](C(=O)O)N 1P002TW5 [0,0,1,0,0,0|1,0,2]=4 519 B8R0.23 BrC(C(=O)O)CC(C)C 1P003A9V [0,0,1,0,0,0|2,0,0]=3 520 B8R0.23 Br[C@@H](C(=O)O)CC(C)C 1P01DJ3Z [0,0,1,0,0,0|2,0,0]=3 521 B8R0.23 Br[C@H](C(=O)O)CC(C)C 1P00C23F [0,0,1,0,0,0|2,0,0]=3 522 B8R0.23 CC(=C)CC(C(=O)O)C 1P01A6K2 [0,0,1,0,0,0|2,0,1]=4 523 B8R0.23 CC(=C)CC(C(=O)O)N 1P01BEQC [0,0,1,0,0,0|1,0,1]=3 524 B8R0.23 CC(=C)CC(C(=O)O)N 1P028BSM [0,0,1,0,0,0|1,0,1]=3 525 B8R0.23 CC(=C)C[C@@H](C(=O)O)C 1P01DVEX [0,0,1,0,0,0|2,0,1]=4 526 B8R0.23 CC(=C)C[C@@H](C(=O)O)N 1P004H6G [0,0,1,0,0,0|1,0,1]=3 527 B8R0.23 CC(=C)C[C@H](C(=O)O)N 1P01JNFJ [0,0,1,0,0,0|1,0,1]=3 528 B8R0.23 CC(=O)CC(C(=O)O)C 1P003O92 [0,0,1,0,0,0|1,0,2]=4 529 B8R0.23 CC(=O)CC(C(=O)O)N 1P00VVHG [0,0,1,0,0,0|0,0,2]=3 530 B8R0.23 CC(C(=O)O)CC(C)C 1P00EBFG [0,0,1,0,0,0|2,0,0]=3 531 B8R0.23 CC(C(=O)O)CC(F)F 1P01B9Z0 [0,0,1,0,0,0|3,0,0]=4 532 B8R0.23 CC(C(=O)O)CC(N)C 1P02914Z [0,0,1,0,0,0|2,0,0]=3 533 B8R0.23 CC(C(=O)O)CN(C)C 1P00J2B5 [0,0,1,0,0,0|3,0,0]=4 534 B8R0.23 CC(C(=O)O)NC(C)C 1P019VK1 [0,0,1,0,0,0|3,0,0]=4 535 B8R0.23 CC(C(=O)O)OC(C)C 1P005FR1 [0,0,1,0,0,0|3,0,0]=4 536 B8R0.23 CC(C(=O)O)SC(C)C 1P019NSY [0,0,1,0,0,0|3,0,0]=4 537 B8R0.23 CC(CC(=C)C(=O)O)C 1P002QQ0 [0,0,1,0,0,0|2,0,1]=4 538 B8R0.23 CC(CC(=O)C(=O)O)C 1P003M6Z [0,0,1,0,0,0|2,0,1]=4 539 B8R0.23 CC(CC(C(=O)C)C)C 1P01E7KG [0,0,1,0,0,0|3,0,0]=4 540 B8R0.23 CS(=O)CC(C(=O)O)C 1P01BF3I [0,0,1,0,0,0|2,0,1]=4 541 B8R0.23 CS(=O)C[C@@H](C(=O)O)N 1P00FABU [0,0,1,0,0,0|1,0,1]=3 542 B8R0.23 C[S@](=O)C[C@@H](C(=O)O)N 1P00CNZI [0,0,1,0,0,0|1,0,1]=3 543 B8R0.23 ClC(=C)CC(C(=O)O)N 1P01BYCS [0,0,1,0,0,0|1,0,2]=4 544 B8R0.23 ClC(=C)C[C@@H](C(=O)O)N 1P01C11V [0,0,1,0,0,0|1,0,2]=4 545 B8R0.23 ClC(=C)C[C@H](C(=O)O)N 1P01BRKB [0,0,1,0,0,0|1,0,2]=4 546 B8R0.23 Cl[C@H](C(=O)O)CC(C)C 1P002WHA [0,0,1,0,0,0|2,0,0]=3 547 B8R0.23 FC(C(=O)O)CC(C)C 1P01DWZS [0,0,1,0,0,0|2,0,0]=3 548 B8R0.23 NC(=O)CC(C(=O)O)N 1P003Q9E [0,0,1,0,0,0|1,0,2]=4 549 B8R0.23 NC(=O)C[C@@H](C(=O)O)N 1P0035JS [0,0,1,0,0,0|1,0,2]=4 550 B8R0.23 NC(=O)C[C@@H](C(=O)O)N 1P00IARL [0,0,1,0,0,0|1,0,2]=4 551 B8R0.23 NC(=O)C[C@@H](C(=O)O)[15NH2] 1P00CG1O [0,0,1,0,0,0|1,0,2]=4 552 B8R0.23 NC(=O)C[C@H](C(=O)O)N 1P002AUA [0,0,1,0,0,0|1,0,2]=4 553 B8R0.23 NC(=O)C[C@H](C(=O)O)N 1P003RAT [0,0,1,0,0,0|1,0,2]=4 554 B8R0.23 NC(C(=O)N)CC(C)C 1P000VF5 [0,0,1,0,0,0|2,0,0]=3 555 B8R0.23 NC(C(=O)N)CC(C)C 1P007HDG [0,0,1,0,0,0|2,0,0]=3 556 B8R0.23 NC(C(=O)O)CC(C)C 1P003QAO [0,0,1,0,0,0|1,0,0]=2 557 B8R0.23 NC(C(=O)O)CC(F)F 1P01AA1M [0,0,1,0,0,0|2,0,0]=3 558 B8R0.23 NC(C(=O)O)CC(F)F 1P01AA1V [0,0,1,0,0,0|2,0,0]=3 559 B8R0.23 N[C@@H](C(=O)N)CC(C)C 1P001RHC [0,0,1,0,0,0|2,0,0]=3 560 B8R0.23 N[C@@H](C(=O)N)CC(C)C 1P00G3EY [0,0,1,0,0,0|2,0,0]=3 561 B8R0.23 N[C@@H](C(=O)O)CC(C)C 1P007J6D [0,0,1,0,0,0|1,0,0]=2 562 B8R0.23 N[C@@H](C(=O)O)CC(F)F 1P01HEGY [0,0,1,0,0,0|2,0,0]=3 563 B8R0.23 N[C@H](C(=O)N)CC(C)C 1P003RT5 [0,0,1,0,0,0|2,0,0]=3 564 B8R0.23 N[C@H](C(=O)N)CC(C)C 1P006HSO [0,0,1,0,0,0|2,0,0]=3 565 B8R0.23 N[C@H](C(=O)O)CC(C)C 1P00F3FK [0,0,1,0,0,0|1,0,0]=2 566 B8R0.23 N[C@H](C(=O)O)CC(F)F 1P0201VO [0,0,1,0,0,0|2,0,0]=3 567 B8R0.23 N[C@H](C(=O)O)CN(C)C 1P0004TN [0,0,1,0,0,0|2,0,0]=3 568 B8R0.23 N[C@H](C(=O)O)CN(C)C 1P00C92A [0,0,1,0,0,0|2,0,0]=3 569 B8R0.23 OB(CC(C(=O)O)N)O 1P028MUE [0,0,1,0,0,0|2,0,0]=3 570 B8R0.23 OC(=O)CC(C(=O)O)Br 1P003P1G [0,0,1,0,0,0|2,0,1]=4 571 B8R0.23 OC(=O)CC(C(=O)O)C 1P0032QP [0,0,1,0,0,0|2,0,1]=4 572 B8R0.23 OC(=O)CC(C(=O)O)N 1P00IBDD [0,0,1,0,0,0|1,0,1]=3 573 B8R0.23 OC(=O)CC(C(=O)O)O 1P003A2K [0,0,1,0,0,0|2,0,1]=4 574 B8R0.23 OC(=O)CC(C(=O)O)O 1P00DCO2 [0,0,1,0,0,0|2,0,1]=4 575 B8R0.23 OC(=O)CC(C(=O)O)O 1P01DQIV [0,0,1,0,0,0|2,0,1]=4 576 B8R0.23 OC(=O)CC(C(=O)O)S 1P003RXN [0,0,1,0,0,0|2,0,1]=4 577 B8R0.23 OC(=O)C[C@@H](C(=O)N)N 1P00C1KL [0,0,1,0,0,0|2,0,1]=4 578 B8R0.23 OC(=O)C[C@@H](C(=O)O)Br 1P002K98 [0,0,1,0,0,0|2,0,1]=4 579 B8R0.23 OC(=O)C[C@@H](C(=O)O)C 1P003CUV [0,0,1,0,0,0|2,0,1]=4 580 B8R0.23 OC(=O)C[C@@H](C(=O)O)F 1P01FM1V [0,0,1,0,0,0|2,0,1]=4 581 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P002J5V [0,0,1,0,0,0|1,0,1]=3 582 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P0035JU [0,0,1,0,0,0|1,0,1]=3 583 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P00BCQS [0,0,1,0,0,0|1,0,1]=3 584 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P00BGEE [0,0,1,0,0,0|1,0,1]=3 585 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P00I7X8 [0,0,1,0,0,0|1,0,1]=3 586 B8R0.23 OC(=O)C[C@@H](C(=O)O)O 1P003RN5 [0,0,1,0,0,0|2,0,1]=4 587 B8R0.23 OC(=O)C[C@@H](C(=O)O)[15NH2] 1P003ROV [0,0,1,0,0,0|1,0,1]=3 588 B8R0.23 OC(=O)C[C@@H](C(=O)[O-])N 1P0035YQ [0,0,1,0,0,0|1,0,2]=4 589 B8R0.23 OC(=O)C[C@@H](C(=O)[O-])N 1P003ROU [0,0,1,0,0,0|1,0,2]=4 590 B8R0.23 OC(=O)C[C@H](C(=O)N)N 1P002D2Z [0,0,1,0,0,0|2,0,1]=4 591 B8R0.23 OC(=O)C[C@H](C(=O)O)C 1P003CMN [0,0,1,0,0,0|2,0,1]=4 592 B8R0.23 OC(=O)C[C@H](C(=O)O)N 1P0026EB [0,0,1,0,0,0|1,0,1]=3 593 B8R0.23 OC(=O)C[C@H](C(=O)O)O 1P0032W0 [0,0,1,0,0,0|2,0,1]=4 594 B8R0.23 OC(C(=O)O)CC(C)C 1P003HV8 [0,0,1,0,0,0|2,0,0]=3 595 B8R0.23 OC(C(=O)O)CC(F)F 1P028WXF [0,0,1,0,0,0|3,0,0]=4 596 B8R0.23 OC(C(=O)O)CN(C)C 1P009R7U [0,0,1,0,0,0|3,0,0]=4 597 B8R0.23 OS(=O)C[C@@H](C(=O)O)N 1P002JBY [0,0,1,0,0,0|2,0,0]=3 598 B8R0.23 OS(=O)C[C@@H](C(=O)O)N 1P008S00 [0,0,1,0,0,0|2,0,0]=3 599 B8R0.23 O[C@@H](C(=O)O)CC(C)C 1P00295B [0,0,1,0,0,0|2,0,0]=3 600 B8R0.23 O[C@H](C(=O)O)CC(C)C 1P0013SV [0,0,1,0,0,0|2,0,0]=3 601 B8R0.23 O[C@H](C(=O)O)CN(C)C 1P00A9SV [0,0,1,0,0,0|3,0,0]=4 602 B8R0.23 [15NH2][C@H](C(=O)O)CC(C)C 1P00EE4Y [0,0,1,0,0,0|1,0,0]=2 603 B8R0.23 [O-]C(=O)CC(C(=O)O)N 1P006L6H [0,0,1,0,0,0|1,0,2]=4 604 B8R0.28 CC(=C)CCCC(=O)O 1P00DCNZ [0,0,1,0,0,0|2,0,1]=4 605 B8R0.28 CC(=C)COCC(=O)O 1P0002E6 [0,0,1,0,0,0|2,0,1]=4 606 B8R0.28 CC(=O)CCCC(=O)O 1P003NES [0,0,1,0,0,0|1,0,2]=4 607 B8R0.28 CC(CCCC(=O)C)C 1P003NRC [0,0,1,0,0,0|3,0,0]=4 608 B8R0.28 CC(CCCC(=O)Cl)Cl 1P01A4NJ [0,0,1,0,0,0|3,0,0]=4 609 B8R0.28 CC(CCCC(=O)O)N 1P01A3UJ [0,0,1,0,0,0|2,0,0]=3 610 B8R0.28 CC(CCCC(=O)O)O 1P003N9B [0,0,1,0,0,0|1,0,0]=2 611 B8R0.28 CC(CNCC(=O)C)C 1P01C40Z [0,0,1,0,0,0|2,0,0]=3 612 B8R0.28 CC(CNCC(=O)N)C 1P019LYO [0,0,1,0,0,0|2,0,0]=3 613 B8R0.28 CC(CNCC(=O)O)C 1P007IVW [0,0,1,0,0,0|1,0,0]=2 614 B8R0.28 CC(CNCC(=O)O)C 1P01AAQB [0,0,1,0,0,0|1,0,0]=2 615 B8R0.28 CC(CNCC(=O)[O-])O 1P028LAM [0,0,1,0,0,0|0,0,1]=2 616 B8R0.28 CC(CNCC(F)F)O 1P01C1WW [0,0,1,0,0,0|2,0,1]=4 617 B8R0.28 CC(CNCC(O)C)O 1P007UDH [0,0,1,0,0,0|1,0,1]=3 618 B8R0.28 CC(COCC(=O)O)N 1P028TSW [0,0,1,0,0,0|2,0,0]=3 619 B8R0.28 CC(COCC(O)C)O 1P003BG6 [0,0,1,0,0,0|2,0,1]=4 620 B8R0.28 CC(CSCC(=O)C)C 1P01AH6M [0,0,1,0,0,0|3,0,0]=4 621 B8R0.28 CC(CSCC(=O)O)C 1P00BWG5 [0,0,1,0,0,0|2,0,0]=3 622 B8R0.28 CC(NCCC(=O)O)C 1P00I55W [0,0,1,0,0,0|3,0,0]=4 623 B8R0.28 CC(OCCC(=O)O)C 1P019MSC [0,0,1,0,0,0|3,0,0]=4 624 B8R0.28 CC(\C=C\CC(=O)O)C 1P01IP9Q [0,0,1,0,0,0|2,0,1]=4 625 B8R0.28 CN(CCCC(=O)O)C 1P0034HC [0,0,1,0,0,0|3,0,0]=4 626 B8R0.28 CN(CCCC(=O)O)C 1P0034HD [0,0,1,0,0,0|3,0,0]=4 627 B8R0.28 FC(CCCC(=O)O)F 1P01AM1G [0,0,1,0,0,0|3,0,0]=4 628 B8R0.28 FC(CNCC(=O)N)F 1P0291V0 [0,0,1,0,0,0|3,0,0]=4 629 B8R0.28 FC(COCC(=O)O)F 1P00C3SO [0,0,1,0,0,0|3,0,0]=4 630 B8R0.28 FC(CSCC(=O)O)F 1P027TWR [0,0,1,0,0,0|3,0,0]=4 631 B8R0.28 NC(=O)CNCC(=O)O 1P028IIA [0,0,1,0,0,0|1,0,2]=4 632 B8R0.28 OC(=O)CCCC(=O)O 1P003R8G [0,0,1,0,0,0|2,0,1]=4 633 B8R0.28 OC(=O)CNCC(=O)O 1P0035HA [0,0,1,0,0,0|1,0,1]=3 634 B8R0.28 OC(=O)CNCC(=O)O 1P00BHE4 [0,0,1,0,0,0|1,0,1]=3 635 B8R0.28 OC(=O)COCC(=O)O 1P003FT6 [0,0,1,0,0,0|2,0,1]=4 636 B8R0.28 OC(=O)CSCC(=O)O 1P000KEA [0,0,1,0,0,0|2,0,1]=4 637 B8R0.28 [O-]C(=O)CNCC(=O)O 1P0021RM [0,0,1,0,0,0|1,0,2]=4 638 B10R2.14 OC1CNC(C1)C2CC2 1P01BRHS [0,0,0,1,0,0|2,0,1]=4 639 B10R2.28 CC1(O)CC2CC1NC2 1P0284YR [0,0,0,1,0,0|2,0,1]=4 640 B10R2.28 C[C@@]1(O)C[C@H]2C[C@@H]1NC2 1P028AKX [0,0,0,1,0,0|2,0,1]=4 641 B10R2.60 BrC1CC2CC1OC2=O 1P00K92X [0,0,0,1,0,0|2,0,0]=3 642 B10R2.60 F[C@@H]1C[C@@H]2C[C@H]1CC2=O 1P028PHB [0,0,0,1,0,0|3,0,0]=4 643 B10R2.60 O[C@@H]1C[C@H]2C[C@@H]1CC2=O 1P028OSO [0,0,0,1,0,0|2,0,0]=3 644 B10R2.178 O=C1CCC2CC1CC2 1P01C7OO [0,0,0,1,0,0|3,0,0]=4 645 B10R2.178 O=C1CCC2CC1OC2 1P0280K2 [0,0,0,1,0,0|3,0,0]=4 646 B10R2.178 O=C1NCC2CC1CC2 1P00ASKO [0,0,0,1,0,0|3,0,0]=4 647 B10R2.308 Br[C@@H]1C[C@@]2([C@H]1C2)C(=O)O 1P028MY2 [0,0,0,1,0,0|2,0,0]=3 648 B10R2.308 C[C@@H]1C[C@@]2([C@H]1C2)C(=O)O 1P028OJS [0,0,0,1,0,0|2,0,0]=3 649 B10R2.308 C[C@@H]1C[C@]2([C@@H]1C2)C(=O)O 1P028O73 [0,0,0,1,0,0|2,0,0]=3 650 B10R2.308 F[C@@H]1C[C@@]2([C@H]1C2)C(=O)O 1P028CX7 [0,0,0,1,0,0|2,0,0]=3 651 B10R2.308 N[C@@H]1C[C@@]2([C@H]1C2)C(=O)O 1P028U9I [0,0,0,1,0,0|2,0,0]=3 652 B10R2.308 N[C@@H]1C[C@]2([C@@H]1C2)C(=O)O 1P028TVD [0,0,0,1,0,0|2,0,0]=3 653 B10R2.308 O[C@@H]1C[C@@]2([C@H]1C2)C(=O)O 1P0206LZ [0,0,0,1,0,0|1,0,0]=2 654 B10R2.308 O[C@@H]1C[C@]2([C@@H]1C2)C(=O)O 1P0206DX [0,0,0,1,0,0|1,0,0]=2 655 B10R2.348 NC(=O)C12NCC(C1)C2 1P01B7G5 [0,0,0,1,0,0|2,0,0]=3 656 B10R2.348 OC(=O)C12CCC(C1)C2 1P01JVLB [0,0,0,1,0,0|2,0,0]=3 657 B10R2.348 OC(=O)C12COC(C1)C2 1P0206BY [0,0,0,1,0,0|3,0,0]=4 658 B10R2.348 OC(=O)C12CSC(C1)C2 1P028GH6 [0,0,0,1,0,0|3,0,0]=4 659 B10R2.348 OC(=O)C12NCC(C1)C2 1P000C6F [0,0,0,1,0,0|1,0,0]=2 660 B10R2.348 OC(=O)C12OCC(C1)C2 1P01FJ99 [0,0,0,1,0,0|2,0,0]=3 661 B10R2.355 OC(=O)C1NCC2C1C2 1P00IL9R [0,0,0,1,0,0|1,0,0]=2 662 B10R2.355 OC(=O)[C@@H]1CC[C@H]2[C@@H]1C2 1P028NWD [0,0,0,1,0,0|2,0,0]=3 663 B10R2.355 OC(=O)[C@H]1NC[C@@H]2[C@H]1C2 1P00ILS3 [0,0,0,1,0,0|1,0,0]=2 664 B10R2.355 OC(=O)[C@H]1NC[C@H]2[C@@H]1C2 1P00IL7V [0,0,0,1,0,0|1,0,0]=2 665 B10R2.357 CC(=O)N1CC2C(C1)O2 1P01DZQK [0,0,0,1,0,0|3,0,0]=4 666 B10R2.357 NC(=O)[C@@H]1C[C@@H]2[C@H](N1)C2 1P01EJPZ [0,0,0,1,0,0|2,0,0]=3 667 B10R2.357 NC(=O)[C@@H]1C[C@H]2[C@@H](N1)C2 1P003AL8 [0,0,0,1,0,0|2,0,0]=3 668 B10R2.357 NC(=O)[C@@H]1C[C@H]2[C@@H](N1)C2 1P00CL59 [0,0,0,1,0,0|2,0,0]=3 669 B10R2.357 NC(=O)[C@@H]1C[C@H]2[C@@H](N1)C2 1P00FCPU [0,0,0,1,0,0|2,0,0]=3 670 B10R2.357 OC(=O)C1CC2C(C1)C2 1P0071O1 [0,0,0,1,0,0|2,0,0]=3 671 B10R2.357 OC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2 1P028R38 [0,0,0,1,0,0|2,0,0]=3 672 B10R2.357 OC(=O)[C@@H]1C[C@@H]2[C@H](N1)C2 1P01XCUF [0,0,0,1,0,0|1,0,0]=2 673 B10R2.357 OC(=O)[C@@H]1C[C@H]2[C@@H](C1)C2 1P01B7CY [0,0,0,1,0,0|2,0,0]=3 674 B10R2.357 OC(=O)[C@@H]1C[C@H]2[C@@H](N1)C2 1P007R1G [0,0,0,1,0,0|1,0,0]=2 675 B10R2.357 OC(=O)[C@@H]1C[C@H]2[C@@H](N1)C2 1P024KO4 [0,0,0,1,0,0|1,0,0]=2 676 B10R2.357 OC(=O)[C@H]1C[C@@H]2[C@H](N1)C2 1P00ILAL [0,0,0,1,0,0|1,0,0]=2 677 B8R1.23 BrC1CC(C1)C(=O)O 1P01EBTW [0,0,0,0,1,0|1,0,0]=2 678 B8R1.23 Br[C@@H]1C[C@@H](C1)C(=O)O 1P0209B2 [0,0,0,0,1,0|1,0,0]=2 679 B8R1.23 Br[C@@H]1C[C@H](C1)C(=O)O 1P01EBTD [0,0,0,0,1,0|1,0,0]=2 680 B8R1.23 CC(C1CC(C1)N)O 1P028D3S [0,0,0,0,1,0|2,0,1]=4 681 B8R1.23 CC1CC(C1)C(=O)C 1P00CIPH [0,0,0,0,1,0|2,0,0]=3 682 B8R1.23 CC1CC(C1)C(=O)O 1P00380T [0,0,0,0,1,0|1,0,0]=2 683 B8R1.23 CC1CC(N1)C(=O)O 1P01DZCF [0,0,0,0,1,0|1,0,0]=2 684 B8R1.23 CC1CN(C1)C(=O)Cl 1P0286O3 [0,0,0,0,1,0|3,0,0]=4 685 B8R1.23 CN1CC(C1)C(=O)N 1P028Y6A [0,0,0,0,1,0|3,0,0]=4 686 B8R1.23 CN1CC(C1)C(=O)O 1P004S1X [0,0,0,0,1,0|2,0,0]=3 687 B8R1.23 C[C@@H]1C[C@@H](C1)C(=O)O 1P00H3P5 [0,0,0,0,1,0|1,0,0]=2 688 B8R1.23 C[C@@H]1C[C@@H](N1)C(=O)O 1P02074D [0,0,0,0,1,0|1,0,0]=2 689 B8R1.23 C[C@@H]1C[C@H](C1)C(=O)O 1P00IF9M [0,0,0,0,1,0|1,0,0]=2 690 B8R1.23 C[C@H]1C[C@@H](N1)C(=O)O 1P02074N [0,0,0,0,1,0|1,0,0]=2 691 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O 1P00PLYX [0,0,0,0,1,0|1,0,0]=2 692 B8R1.23 ClC1CC(C1)C(=O)Cl 1P0030TN [0,0,0,0,1,0|2,0,0]=3 693 B8R1.23 ClC1CC(C1)C(=O)O 1P007FK6 [0,0,0,0,1,0|1,0,0]=2 694 B8R1.23 ClC1CN(C1)C(=O)Cl 1P028PQ2 [0,0,0,0,1,0|3,0,0]=4 695 B8R1.23 Cl[C@@H]1C[C@H](C1)C(=O)O 1P00I7FY [0,0,0,0,1,0|1,0,0]=2 696 B8R1.23 Cl[C@@H]1C[C@H](C1)C(=S)N 1P028K7C [0,0,0,0,1,0|2,1,0]=4 697 B8R1.23 FC(C1CC(C1)O)F 1P01DZF4 [0,0,0,0,1,0|2,0,1]=4 698 B8R1.23 FC1CC(C1)C(=O)O 1P009B1H [0,0,0,0,1,0|1,0,0]=2 699 B8R1.23 FC1CN(C1)C(=O)Cl 1P028MQ1 [0,0,0,0,1,0|3,0,0]=4 700 B8R1.23 F[C@@H]1C[C@@H](C1)C(=O)O 1P000LL1 [0,0,0,0,1,0|1,0,0]=2 701 B8R1.23 F[C@@H]1C[C@H](C1)C(=O)O 1P000LL0 [0,0,0,0,1,0|1,0,0]=2 702 B8R1.23 IC1CC(C1)C(=O)O 1P0285A2 [0,0,0,0,1,0|1,0,0]=2 703 B8R1.23 NC1CC(C1)C(=O)C 1P027ZSS [0,0,0,0,1,0|2,0,0]=3 704 B8R1.23 NC1CC(C1)C(=O)N 1P01B2AN [0,0,0,0,1,0|2,0,0]=3 705 B8R1.23 NC1CC(C1)C(=O)O 1P000QSP [0,0,0,0,1,0|1,0,0]=2 706 B8R1.23 NC1CN(C1)C(=O)C 1P001EBA [0,0,0,0,1,0|3,0,0]=4 707 B8R1.23 NC1CN(C1)C(=O)C 1P01EJRJ [0,0,0,0,1,0|3,0,0]=4 708 B8R1.23 NC1CN(C1)C(=O)N 1P01FJXW [0,0,0,0,1,0|3,0,0]=4 709 B8R1.23 N[C@@H]1C[C@@H](C1)C(=O)N 1P01C5XI [0,0,0,0,1,0|2,0,0]=3 710 B8R1.23 N[C@@H]1C[C@@H](C1)C(=O)O 1P003A1D [0,0,0,0,1,0|1,0,0]=2 711 B8R1.23 N[C@@H]1C[C@@H](C1)C(=O)O 1P005YM8 [0,0,0,0,1,0|1,0,0]=2 712 B8R1.23 N[C@@H]1C[C@H](C1)C(=N)N 1P028D3Y [0,0,0,0,1,0|3,0,0]=4 713 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)N 1P01BV5X [0,0,0,0,1,0|2,0,0]=3 714 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O 1P005YMF [0,0,0,0,1,0|1,0,0]=2 715 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O 1P008H8O [0,0,0,0,1,0|1,0,0]=2 716 B8R1.23 O=C1CC(C1)C(=O)N 1P0291I1 [0,0,0,0,1,0|1,0,2]=4 717 B8R1.23 O=C1CC(C1)C(=O)O 1P00348L [0,0,0,0,1,0|0,0,2]=3 718 B8R1.23 O=C1CC(N1)C(=O)O 1P00H73C [0,0,0,0,1,0|0,0,2]=3 719 B8R1.23 O=C1C[C@@H](N1)C(=O)O 1P00IBK7 [0,0,0,0,1,0|0,0,2]=3 720 B8R1.23 O=C1C[C@H](N1)C(=O)O 1P001V2H [0,0,0,0,1,0|0,0,2]=3 721 B8R1.23 O=S1CC(C1)C(=O)O 1P027R6C [0,0,0,0,1,0|1,0,1]=3 722 B8R1.23 OC(=O)C1CC(=C)C1 1P001Q08 [0,0,0,0,1,0|1,0,1]=3 723 B8R1.23 OC1CC(C1)C(=O)C 1P00ILOP [0,0,0,0,1,0|1,0,0]=2 724 B8R1.23 OC1CC(C1)C(=O)N 1P028W4O [0,0,0,0,1,0|1,0,0]=2 725 B8R1.23 OC1CC(C1)C(=O)O 1P0074YT [0,0,0,0,1,0|0,0,0]=1 726 B8R1.23 OC1CC(C1)N(C)C 1P00238K [0,0,0,0,1,0|3,0,0]=4 727 B8R1.23 OC1CC(C1)N(C)C 1P01BGWD [0,0,0,0,1,0|3,0,0]=4 728 B8R1.23 OC1CN(C1)C(=O)C 1P003ED6 [0,0,0,0,1,0|2,0,0]=3 729 B8R1.23 OC1CN(C1)C(=O)N 1P01DWW9 [0,0,0,0,1,0|2,0,0]=3 730 B8R1.23 O[C@@H]1C[C@@H](C1)C(=O)O 1P00DGWW [0,0,0,0,1,0|0,0,0]=1 731 B8R1.23 O[C@@H]1C[C@@H](C1)N(C)C 1P01BCLW [0,0,0,0,1,0|3,0,0]=4 732 B8R1.23 O[C@@H]1C[C@@H](C1)N(C)C 1P01BCPY [0,0,0,0,1,0|3,0,0]=4 733 B8R1.23 O[C@@H]1C[C@H](C1)C(=O)O 1P000TTS [0,0,0,0,1,0|0,0,0]=1 734 B8R1.23 O[C@@H]1C[C@H](C1)C(=O)[O-] 1P028X6S [0,0,0,0,1,0|0,0,1]=2 735 B8R1.23 O[C@@H]1C[C@H](C1)N(C)C 1P01BGZV [0,0,0,0,1,0|3,0,0]=4 736 B8R1.23 O[C@@H]1C[C@H](C1)N(C)C 1P01BH2S [0,0,0,0,1,0|3,0,0]=4 737 B8R1.23 SC1CC(C1)C(=O)O 1P028CJZ [0,0,0,0,1,0|0,1,0]=2 738 B8R1.23 S[C@@H]1C[C@H](C1)C(=O)O 1P0284TI [0,0,0,0,1,0|0,1,0]=2 739 B8R1.31 CC1CCC1C(=O)O 1P0037P5 [0,0,0,0,1,0|2,0,0]=3 740 B8R1.31 CC1NCC1C(=O)O 1P00HZI9 [0,0,0,0,1,0|3,0,0]=4 741 B8R1.31 CN1CCC1C(=O)O 1P01DYNI [0,0,0,0,1,0|3,0,0]=4 742 B8R1.31 CN1CC[C@@H]1C(=O)O 1P00I5CE [0,0,0,0,1,0|3,0,0]=4 743 B8R1.31 CN1CC[C@H]1C(=O)O 1P00I5CC [0,0,0,0,1,0|3,0,0]=4 744 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 1P00I3DK [0,0,0,0,1,0|1,0,0]=2 745 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 1P028NBG [0,0,0,0,1,0|1,0,0]=2 746 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O 1P027KVO [0,0,0,0,1,0|3,0,0]=4 747 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O 1P0023NG [0,0,0,0,1,0|2,0,0]=3 748 B8R1.31 N[C@H]1CC[C@H]1C(=O)O 1P00IL5S [0,0,0,0,1,0|2,0,0]=3 749 B8R1.31 OC(=O)C1CCC1F 1P01BAOK [0,0,0,0,1,0|2,0,0]=3 750 B8R1.31 OC(=O)[C@@H]1CC[C@@H]1F 1P0289HT [0,0,0,0,1,0|2,0,0]=3 751 B8R1.31 O[C@H]1CC[C@@H]1C(=O)O 1P01X055 [0,0,0,0,1,0|1,0,0]=2 752 B10R1.13 CC1=CCC(CC1)C(=O)O 1P00DFK5 [0,0,0,0,0,1|2,0,1]=4 753 B10R1.13 CC1=CC[C@H](CC1)C(=O)O 1P028RVY [0,0,0,0,0,1|2,0,1]=4 754 B10R1.13 CC1CCC(=CC1)C(=O)O 1P01AF3C [0,0,0,0,0,1|2,0,1]=4 755 B10R1.13 CC1CCC(CC1)C(=O)Cl 1P00ED52 [0,0,0,0,0,1|3,0,0]=4 756 B10R1.13 CC1CCC(CC1)C(=O)O 1P003M8G [0,0,0,0,0,1|2,0,0]=3 757 B10R1.13 CC1CCC(CN1)C(=O)N 1P00H4XX [0,0,0,0,0,1|3,0,0]=4 758 B10R1.13 CC1CCC(CN1)C(=O)O 1P000C6X [0,0,0,0,0,1|2,0,0]=3 759 B10R1.13 CC1CCC(CN1)C(=O)O 1P01ELTM [0,0,0,0,0,1|2,0,0]=3 760 B10R1.13 CC1CCC(NC1)C(=O)O 1P01EM08 [0,0,0,0,0,1|1,0,0]=2 761 B10R1.13 CC1COC(CN1)C(=O)O 1P01KKMJ [0,0,0,0,0,1|2,0,0]=3 762 B10R1.13 CN1CCC(CC1)C(=O)O 1P0033A0 [0,0,0,0,0,1|3,0,0]=4 763 B10R1.13 CN1CCC(CC1)C(=O)O 1P005OP8 [0,0,0,0,0,1|3,0,0]=4 764 B10R1.13 C[C@@H]1CC[C@@H](CC1)C(=O)O 1P01JD2Q [0,0,0,0,0,1|2,0,0]=3 765 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)N 1P0286OB [0,0,0,0,0,1|3,0,0]=4 766 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O 1P028LH3 [0,0,0,0,0,1|2,0,0]=3 767 B10R1.13 C[C@@H]1CC[C@H](CC1)C(=O)O 1P000V7K [0,0,0,0,0,1|2,0,0]=3 768 B10R1.13 C[C@@H]1CC[C@H](CN1)C(=O)O 1P01XD3L [0,0,0,0,0,1|2,0,0]=3 769 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O 1P01P5SR [0,0,0,0,0,1|1,0,0]=2 770 B10R1.13 C[C@@H]1CN[C@@H](CO1)C(=O)O 1P028Q4F [0,0,0,0,0,1|1,0,0]=2 771 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O 1P01BSBP [0,0,0,0,0,1|1,0,0]=2 772 B10R1.13 C[C@H]1CN[C@@H](CO1)C(=O)O 1P01AM05 [0,0,0,0,0,1|1,0,0]=2 773 B10R1.13 C[C@H]1CN[C@H](CO1)C(=O)O 1P01AM07 [0,0,0,0,0,1|1,0,0]=2 774 B10R1.13 FC1CCC(CC1)C(=O)C 1P01B4DQ [0,0,0,0,0,1|3,0,0]=4 775 B10R1.13 FC1CCC(CC1)C(=O)O 1P006P00 [0,0,0,0,0,1|2,0,0]=3 776 B10R1.13 F[C@@H]1CC[C@@H](CC1)C(=O)O 1P00ILL4 [0,0,0,0,0,1|2,0,0]=3 777 B10R1.13 F[C@@H]1CC[C@H](CC1)C(=O)O 1P0020EU [0,0,0,0,0,1|2,0,0]=3 778 B10R1.13 F[C@@H]1CC[C@H](NC1)C(=O)O 1P020KXP [0,0,0,0,0,1|1,0,0]=2 779 B10R1.13 NC1CCC(=CC1)C(=O)O 1P028HMQ [0,0,0,0,0,1|2,0,1]=4 780 B10R1.13 NC1CCC(CC1)C(=O)N 1P018SOH [0,0,0,0,0,1|3,0,0]=4 781 B10R1.13 NC1CCC(CC1)C(=O)O 1P0025VN [0,0,0,0,0,1|2,0,0]=3 782 B10R1.13 NC1CCC(CC1)C(=O)O 1P019E52 [0,0,0,0,0,1|2,0,0]=3 783 B10R1.13 N[C@@H]1CC[C@@H](CC1)C(=O)N 1P01XAJU [0,0,0,0,0,1|3,0,0]=4 784 B10R1.13 N[C@@H]1CC[C@@H](CC1)C(=O)N 1P028SIT [0,0,0,0,0,1|3,0,0]=4 785 B10R1.13 N[C@@H]1CC[C@@H](CC1)C(=O)O 1P00785H [0,0,0,0,0,1|2,0,0]=3 786 B10R1.13 N[C@@H]1CC[C@H](CC1)C(=O)C 1P01EI8P [0,0,0,0,0,1|3,0,0]=4 787 B10R1.13 N[C@@H]1CC[C@H](CC1)C(=O)O 1P00366H [0,0,0,0,0,1|2,0,0]=3 788 B10R1.13 N[C@@H]1CC[C@H](CC1)C(=O)O 1P003VEE [0,0,0,0,0,1|2,0,0]=3 789 B10R1.13 N[C@@H]1CC[C@H](OC1)C(=O)N 1P01KEA2 [0,0,0,0,0,1|3,0,0]=4 790 B10R1.13 O=C1CCC(CC1)C(=O)O 1P003MET [0,0,0,0,0,1|1,0,2]=4 791 B10R1.13 O=C1CCC(CN1)C(=O)O 1P006Y20 [0,0,0,0,0,1|1,0,2]=4 792 B10R1.13 O=C1CCC(NC1)C(=O)O 1P00IKTS [0,0,0,0,0,1|0,0,2]=3 793 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O 1P01DY8H [0,0,0,0,0,1|1,0,2]=4 794 B10R1.13 O=C1CC[C@H](CN1)C(=O)O 1P01DYFM [0,0,0,0,0,1|1,0,2]=4 795 B10R1.13 O=C1CNC(CN1)C(=O)N 1P01FKUA [0,0,0,0,0,1|1,0,2]=4 796 B10R1.13 O=C1CNC(CN1)C(=O)O 1P00BZEW [0,0,0,0,0,1|0,0,2]=3 797 B10R1.13 O=C1CNC(CN1)C(=O)O 1P01K1AT [0,0,0,0,0,1|0,0,2]=3 798 B10R1.13 OC(=O)C1CCC(=C)CC1 1P006329 [0,0,0,0,0,1|2,0,1]=4 799 B10R1.13 OC(=O)C1CCC(=NC1)N 1P01C4CC [0,0,0,0,0,1|2,0,1]=4 800 B10R1.13 OC1CCC(CC1)C(=O)C 1P024I1I [0,0,0,0,0,1|2,0,0]=3 801 B10R1.13 OC1CCC(CC1)C(=O)N 1P01A8FQ [0,0,0,0,0,1|2,0,0]=3 802 B10R1.13 OC1CCC(CC1)C(=O)O 1P003M02 [0,0,0,0,0,1|1,0,0]=2 803 B10R1.13 OC1CCC(NC1)C(=O)O 1P000VN5 [0,0,0,0,0,1|0,0,0]=1 804 B10R1.13 OC1CCN(CC1)C(=O)C 1P00C935 [0,0,0,0,0,1|3,0,0]=4 805 B10R1.13 OC1CCN(CC1)C(=O)N 1P00CHLW [0,0,0,0,0,1|3,0,0]=4 806 B10R1.13 O[C@@H]1CC[C@@H](CC1)C(=O)O 1P00BYXU [0,0,0,0,0,1|1,0,0]=2 807 B10R1.13 O[C@@H]1CC[C@H](CC1)C(=O)O 1P00366K [0,0,0,0,0,1|1,0,0]=2 808 B10R1.13 O[C@@H]1CC[C@H](NC1)C(=O)O 1P003AHS [0,0,0,0,0,1|0,0,0]=1 809 B10R1.13 O[C@H]1CC[C@H](NC1)C(=O)O 1P00AO48 [0,0,0,0,0,1|0,0,0]=1 810 B10R1.13 O[C@H]1CC[C@H](NC1)C(=O)O 1P00HZUJ [0,0,0,0,0,1|0,0,0]=1 811 B10R1.54 CC(=O)O[C@@H]1C[C@@H](C=C1)O 1P0032S8 [0,0,0,0,0,1|2,0,1]=4 812 B10R1.54 CC(=O)O[C@@H]1C[C@H](C=C1)O 1P01QKH1 [0,0,0,0,0,1|2,0,1]=4 813 B10R1.54 CC1CCC(=CC(=O)O)C1 1P019ZHY [0,0,0,0,0,1|2,0,1]=4 814 B10R1.54 CC1CCC(C1)CC(=O)O 1P019ZWI [0,0,0,0,0,1|2,0,0]=3 815 B10R1.54 CC1CCC(O1)CC(=O)O 1P01B5ES [0,0,0,0,0,1|3,0,0]=4 816 B10R1.54 CC1CCN(C1)CC(=O)O 1P01BCS4 [0,0,0,0,0,1|3,0,0]=4 817 B10R1.54 CC1NCC(C1)CC(=O)O 1P028DUT [0,0,0,0,0,1|3,0,0]=4 818 B10R1.54 CN1CCC(C1)CC(=O)O 1P0006ST [0,0,0,0,0,1|3,0,0]=4 819 B10R1.54 CN1CCC(C1)CC(=O)O 1P007TVF [0,0,0,0,0,1|3,0,0]=4 820 B10R1.54 N[C@@H]1C[C@@H](C=C1)CC(=O)O 1P028XNB [0,0,0,0,0,1|2,0,1]=4 821 B10R1.54 N[C@H]1C[C@H](C=C1)CC(=O)O 1P028XS5 [0,0,0,0,0,1|2,0,1]=4 822 B10R1.54 OC(=O)CC1CCC(=O)C1 1P007I8T [0,0,0,0,0,1|1,0,2]=4 823 B10R1.54 OC(=O)C[C@@H]1C[C@@H](CN1)F 1P01FIRZ [0,0,0,0,0,1|1,0,0]=2 824 B10R1.54 OC(=O)C[C@@H]1C[C@H](CN1)F 1P01FIS5 [0,0,0,0,0,1|1,0,0]=2 825 B10R1.54 OC(=O)C[C@H]1C[C@@H](CN1)F 1P028TPJ [0,0,0,0,0,1|1,0,0]=2 826 B10R1.54 OC1CCC(C1)CC(=O)O 1P01DN5B [0,0,0,0,0,1|1,0,0]=2 827 B10R1.54 OC1CCN(C1)CC(=O)O 1P00BI5M [0,0,0,0,0,1|2,0,0]=3 828 B10R1.54 OC1CN[C@@H](C1)CC(=O)O 1P00C8A3 [0,0,0,0,0,1|0,0,0]=1 829 B10R1.54 O[C@@H]1CCN(C1)CC(=O)O 1P009BGM [0,0,0,0,0,1|2,0,0]=3 830 B10R1.54 O[C@@H]1CN[C@@H](C1)CN(C)C 1P027WUB [0,0,0,0,0,1|3,0,0]=4 831 B10R1.54 O[C@@H]1CN[C@H](C1)CN(C)C 1P028F7U [0,0,0,0,0,1|3,0,0]=4 832 B10R1.54 O[C@H]1CC[C@H](C1)CC(=O)O 1P01DY60 [0,0,0,0,0,1|1,0,0]=2 833 B10R1.54 O[C@H]1CN[C@@H](C1)CN(C)C 1P027XK5 [0,0,0,0,0,1|3,0,0]=4 834 B10R1.54 O[C@H]1CN[C@H](C1)CN(C)C 1P027YIV [0,0,0,0,0,1|3,0,0]=4 835 B10R1.113 CC1CC(CNC1)C(=O)N 1P01FKUO [0,0,0,0,0,1|2,0,0]=3 836 B10R1.113 CC1CC(CNC1)C(=O)O 1P01A269 [0,0,0,0,0,1|1,0,0]=2 837 B10R1.113 CC1CC(NCC1)C(=O)N 1P00BALN [0,0,0,0,0,1|2,0,0]=3 838 B10R1.113 CC1CC(NCC1)C(=O)O 1P019TJM [0,0,0,0,0,1|1,0,0]=2 839 B10R1.113 CC1CCCC(C1)C(=O)Cl 1P01AV2V [0,0,0,0,0,1|3,0,0]=4 840 B10R1.113 CC1CCCC(C1)C(=O)O 1P0011VL [0,0,0,0,0,1|2,0,0]=3 841 B10R1.113 CC1CCCC(N1)C(=O)O 1P00IKRU [0,0,0,0,0,1|3,0,0]=4 842 B10R1.113 CC1CCCC(N1)C(=O)O 1P01ADM0 [0,0,0,0,0,1|3,0,0]=4 843 B10R1.113 CC1CCNC(C1)C(O)C 1P01B1O8 [0,0,0,0,0,1|2,0,1]=4 844 B10R1.113 CC1CNCC(O1)C(=O)N 1P01B4NK [0,0,0,0,0,1|3,0,0]=4 845 B10R1.113 CC1CNCC(O1)C(=O)O 1P01BAMQ [0,0,0,0,0,1|2,0,0]=3 846 B10R1.113 CC1COCC(N1)C(=O)O 1P01ADML [0,0,0,0,0,1|3,0,0]=4 847 B10R1.113 CC1COCC(O1)C(=O)O 1P0283PZ [0,0,0,0,0,1|3,0,0]=4 848 B10R1.113 CC1CSCC(N1)C(=O)O 1P01FIWT [0,0,0,0,0,1|3,0,0]=4 849 B10R1.113 CC1OCCC(C1)C(=O)C 1P028W1R [0,0,0,0,0,1|3,0,0]=4 850 B10R1.113 CC1OCCC(C1)C(=O)O 1P004BUT [0,0,0,0,0,1|2,0,0]=3 851 B10R1.113 CC1SCCC(C1)C(=O)O 1P021K28 [0,0,0,0,0,1|2,0,0]=3 852 B10R1.113 CN1CC(OCC1)C(=O)O 1P008HE2 [0,0,0,0,0,1|3,0,0]=4 853 B10R1.113 CN1CC(OCC1)C(=O)O 1P00G8OD [0,0,0,0,0,1|3,0,0]=4 854 B10R1.113 CN1CCCC(C1)C(=O)O 1P002CYP [0,0,0,0,0,1|3,0,0]=4 855 B10R1.113 CN1CCCC(C1)C(=O)O 1P00EA82 [0,0,0,0,0,1|3,0,0]=4 856 B10R1.113 CN1CCC[C@@H](C1)C(=O)O 1P001DQ7 [0,0,0,0,0,1|3,0,0]=4 857 B10R1.113 CN1CCC[C@@H](C1)C(=O)O 1P02902H [0,0,0,0,0,1|3,0,0]=4 858 B10R1.113 CN1CCC[C@H](C1)C(=O)O 1P01DXS8 [0,0,0,0,0,1|3,0,0]=4 859 B10R1.113 CN1CCC[C@H](C1)C(=O)O 1P028QTM [0,0,0,0,0,1|3,0,0]=4 860 B10R1.113 CN1CCNC(C1)C(=O)O 1P005HJ4 [0,0,0,0,0,1|2,0,0]=3 861 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O 1P01B5EE [0,0,0,0,0,1|3,0,0]=4 862 B10R1.113 C[C@@H]1CCC[C@@H](O1)C(=O)O 1P0284SP [0,0,0,0,0,1|3,0,0]=4 863 B10R1.113 C[C@@H]1CNCC(O1)C(=O)N 1P01A086 [0,0,0,0,0,1|3,0,0]=4 864 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)C 1P028116 [0,0,0,0,0,1|2,0,0]=3 865 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O 1P01C66T [0,0,0,0,0,1|2,0,0]=3 866 B10R1.113 C[C@@H]1COC[C@@H](N1)C(=O)O 1P021XIM [0,0,0,0,0,1|3,0,0]=4 867 B10R1.113 C[C@H]1COC[C@H](N1)C(=O)O 1P01B8O1 [0,0,0,0,0,1|3,0,0]=4 868 B10R1.113 C[C@H]1C[C@@H](NCC1)C(=O)O 1P005H2L [0,0,0,0,0,1|1,0,0]=2 869 B10R1.113 C[C@H]1C[C@H](CNC1)C(=O)O 1P029042 [0,0,0,0,0,1|1,0,0]=2 870 B10R1.113 C[C@H]1C[C@H](NCC1)C(=O)O 1P027UHX [0,0,0,0,0,1|1,0,0]=2 871 B10R1.113 C[C@H]1NCC[C@H](C1)C(=O)O 1P01BY7C [0,0,0,0,0,1|2,0,0]=3 872 B10R1.113 C[C@H]1OCC[C@@H](C1)C(=O)O 1P027VZ2 [0,0,0,0,0,1|2,0,0]=3 873 B10R1.113 ClC1CCCC(C1)C(=O)O 1P028ZF8 [0,0,0,0,0,1|2,0,0]=3 874 B10R1.113 FC(C1NCCC(C1)O)F 1P028VTI [0,0,0,0,0,1|2,0,1]=4 875 B10R1.113 FC1CCCC(C1)C(=O)O 1P01BBPQ [0,0,0,0,0,1|2,0,0]=3 876 B10R1.113 NC1CC(OCC1)C(=O)O 1P01FITU [0,0,0,0,0,1|2,0,0]=3 877 B10R1.113 NC1CC(OCC1)C(=O)O 1P028ZMT [0,0,0,0,0,1|2,0,0]=3 878 B10R1.113 NC1CCCC(C1)C(=O)C 1P01BFGB [0,0,0,0,0,1|3,0,0]=4 879 B10R1.113 NC1CCCC(C1)C(=O)N 1P01A9P0 [0,0,0,0,0,1|3,0,0]=4 880 B10R1.113 NC1CCCC(C1)C(=O)O 1P002RHG [0,0,0,0,0,1|2,0,0]=3 881 B10R1.113 NN1CCCC(C1)C(=O)O 1P0282B9 [0,0,0,0,0,1|3,0,0]=4 882 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)N 1P02498W [0,0,0,0,0,1|3,0,0]=4 883 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O 1P00G2RU [0,0,0,0,0,1|2,0,0]=3 884 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O 1P024HFF [0,0,0,0,0,1|2,0,0]=3 885 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O 1P00CIT7 [0,0,0,0,0,1|2,0,0]=3 886 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O 1P00H24X [0,0,0,0,0,1|2,0,0]=3 887 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O 1P001X52 [0,0,0,0,0,1|2,0,0]=3 888 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O 1P00ILE8 [0,0,0,0,0,1|2,0,0]=3 889 B10R1.113 N[C@H]1C[C@@H](NCC1)C(=O)O 1P021VL8 [0,0,0,0,0,1|1,0,0]=2 890 B10R1.113 N[C@H]1C[C@H](COC1)C(=O)O 1P027WBN [0,0,0,0,0,1|2,0,0]=3 891 B10R1.113 O=C1CCCC(C1)C(=O)O 1P001T5N [0,0,0,0,0,1|1,0,2]=4 892 B10R1.113 O=C1CCC[C@@H](C1)C(=O)O 1P01KAEN [0,0,0,0,0,1|1,0,2]=4 893 B10R1.113 O=C1CCC[C@H](C1)C(=O)O 1P01G74C [0,0,0,0,0,1|1,0,2]=4 894 B10R1.113 O=C1CCNC(C1)C(=O)O 1P00IKTR [0,0,0,0,0,1|0,0,2]=3 895 B10R1.113 O=C1CCOC(C1)C(=O)O 1P01B8MB [0,0,0,0,0,1|1,0,2]=4 896 B10R1.113 O=C1NCCC(C1)C(=O)O 1P002OXK [0,0,0,0,0,1|1,0,2]=4 897 B10R1.113 O=C1NNCC(C1)C(=O)O 1P024UOT [0,0,0,0,0,1|1,0,2]=4 898 B10R1.113 O=S1CCNC(C1)C(=O)O 1P01ADBN [0,0,0,0,0,1|1,0,1]=3 899 B10R1.113 O=[C@]([C@H]1C[C@@H](N)CCC1)O 1P01KIMO [0,0,0,0,0,1|2,0,0]=3 900 B10R1.113 OC(=O)C1CC(=C)CCN1 1P0293IO [0,0,0,0,0,1|1,0,1]=3 901 B10R1.113 OC(=O)[C@@H]1C[C@H](F)CCN1 1P027VP8 [0,0,0,0,0,1|1,0,0]=2 902 B10R1.113 OC1CCCC(=C1)C(=O)O 1P028IGO [0,0,0,0,0,1|1,0,2]=4 903 B10R1.113 OC1CCCC(C1)C(=O)O 1P00392M [0,0,0,0,0,1|1,0,0]=2 904 B10R1.113 OC1CCCC(C1)S(=O)C 1P01EN12 [0,0,0,0,0,1|3,0,0]=4 905 B10R1.113 OC1CCCN(C1)C(=O)C 1P00CBFM [0,0,0,0,0,1|3,0,0]=4 906 B10R1.113 OC1CCOC(C1)C(=O)O 1P028VNN [0,0,0,0,0,1|1,0,0]=2 907 B10R1.113 OC1CNCC(C1)C(=O)O 1P000EA0 [0,0,0,0,0,1|0,0,0]=1 908 B10R1.113 O[C@@H]1C=CC[C@@H](C1)C(=O)O 1P027V1F [0,0,0,0,0,1|1,0,1]=3 909 B10R1.113 O[C@@H]1CCCN(C1)C(=O)C 1P00FYZC [0,0,0,0,0,1|3,0,0]=4 910 B10R1.113 O[C@@H]1CCC[C@@H](C1)C(=O)O 1P00ILIO [0,0,0,0,0,1|1,0,0]=2 911 B10R1.113 O[C@@H]1CCC[C@H](C1)C(=O)O 1P002NGG [0,0,0,0,0,1|1,0,0]=2 912 B10R1.113 O[C@@H]1CCN[C@@H](C1)C(=O)O 1P00952I [0,0,0,0,0,1|0,0,0]=1 913 B10R1.113 O[C@@H]1CCN[C@H](C1)C(=O)O 1P00HTFS [0,0,0,0,0,1|0,0,0]=1 914 B10R1.113 O[C@H]1C=CC[C@H](C1)C(=O)O 1P0291JH [0,0,0,0,0,1|1,0,1]=3 915 B10R1.113 O[C@H]1CCCN(C1)C(=O)C 1P0099V0 [0,0,0,0,0,1|3,0,0]=4 916 B10R1.113 O[C@H]1CCC[C@@H](C1)C(=O)O 1P01JUJX [0,0,0,0,0,1|1,0,0]=2 917 B10R1.113 O[C@H]1CCC[C@H](C1)C(=O)O 1P0071FI [0,0,0,0,0,1|1,0,0]=2 918 B10R1.113 O[C@H]1CCN[C@H](C1)C(=O)O 1P0021KY [0,0,0,0,0,1|0,0,0]=1 919 B7R0.3 CC(C#N)NCCO 1P01BBAO [1,0,1,0,0,0|1,0,1]=4 920 B7R0.3 CC(C=O)CCCC 1P006HJQ [1,0,1,0,0,0|2,0,0]=4 921 B7R0.3 CCC(CCC=C)O 1P002BKB [1,0,1,0,0,0|2,0,0]=4 922 B7R0.3 CCCCC(CN)O 1P01APZ7 [1,0,1,0,0,0|1,0,1]=4 923 B7R0.3 CCCNC(CO)C 1P006VOO [1,0,1,0,0,0|1,0,1]=4 924 B7R0.3 CC[C@@H](CCC=C)O 1P028G66 [1,0,1,0,0,0|2,0,0]=4 925 B7R0.3 CC[C@H](CCC=C)O 1P028FU3 [1,0,1,0,0,0|2,0,0]=4 926 B7R0.3 COCCC(CN)O 1P028YZ4 [1,0,1,0,0,0|2,0,0]=4 927 B7R0.3 CSCCC(CN)O 1P01BVQ4 [1,0,1,0,0,0|2,0,0]=4 928 B7R0.3 C[C@H](C=O)CCCC 1P006QRH [1,0,1,0,0,0|2,0,0]=4 929 B7R0.3 NC(CN)CCC=C 1P019ZFO [1,0,1,0,0,0|2,0,0]=4 930 B7R0.3 NCC(CCC=C)N 1P019ZFQ [1,0,1,0,0,0|2,0,0]=4 931 B7R0.3 NCC(CCC=C)O 1P02938L [1,0,1,0,0,0|1,0,0]=3 932 B7R0.3 OC(CCl)CCC=C 1P009648 [1,0,1,0,0,0|2,0,0]=4 933 B7R0.3 OCCCC(CC)O 1P001V9W [1,0,1,0,0,0|1,0,1]=4 934 B7R0.3 OCCCC(CN)C 1P01ANWP [1,0,1,0,0,0|1,0,1]=4 935 B7R0.3 OCCCC(CO)C 1P0071T5 [1,0,1,0,0,0|1,0,1]=4 936 B7R0.3 OCCCC(CO)O 1P003DS5 [1,0,1,0,0,0|1,0,1]=4 937 B7R0.3 OCCC[C@@H](CN)O 1P028ASN [1,0,1,0,0,0|0,0,1]=3 938 B7R0.3 OCCC[C@H](CN)C 1P01KYDD [1,0,1,0,0,0|1,0,1]=4 939 B7R0.3 OCCC[C@H](CN)C 1P024H7Z [1,0,1,0,0,0|1,0,1]=4 940 B7R0.3 OCCNC(CC)C 1P007EEJ [1,0,1,0,0,0|1,0,1]=4 941 B7R0.4 BrCCCCC(=O)C 1P0007J6 [1,0,1,0,0,0|2,0,0]=4 942 B7R0.4 BrCCCCC(=O)Cl 1P003N20 [1,0,1,0,0,0|2,0,0]=4 943 B7R0.4 BrCCCCC(=O)O 1P002J3W [1,0,1,0,0,0|1,0,0]=3 944 B7R0.4 BrCCCCC(=O)[O-] 1P00ERAQ [1,0,1,0,0,0|1,0,1]=4 945 B7R0.4 BrCCOCC(=O)O 1P00HD6T [1,0,1,0,0,0|2,0,0]=4 946 B7R0.4 C#CCCCC(=O)O 1P0034QU [1,0,1,0,0,0|1,0,1]=4 947 B7R0.4 C#CCNCC(=O)O 1P01B5L0 [1,0,1,0,0,0|0,0,2]=4 948 B7R0.4 C=CCCCC(=O)O 1P001Q42 [1,0,1,0,0,0|1,0,1]=4 949 B7R0.4 C=CCCCC(O)C 1P00BJLZ [1,0,1,0,0,0|2,0,0]=4 950 B7R0.4 C=CCNCC(=O)O 1P00C070 [1,0,1,0,0,0|0,0,2]=4 951 B7R0.4 C=CCNCC(C)C 1P00C2AR [1,0,1,0,0,0|2,0,0]=4 952 B7R0.4 C=CCOCC(O)C 1P00CBSR [1,0,1,0,0,0|2,0,0]=4 953 B7R0.4 CC(=O)NCCCN 1P00CJ9K [1,0,1,0,0,0|2,0,0]=4 954 B7R0.4 CC(=O)NCCCN 1P00DL1J [1,0,1,0,0,0|2,0,0]=4 955 B7R0.4 CCC#CCC(=O)O 1P00269H [1,0,1,0,0,0|1,0,1]=4 956 B7R0.4 CCCC#CC(=O)O 1P003HTY [1,0,1,0,0,0|1,0,1]=4 957 B7R0.4 CCCCCC(=O)C 1P0033SO [1,0,1,0,0,0|2,0,0]=4 958 B7R0.4 CCCCCC(=O)Cl 1P003RDM [1,0,1,0,0,0|2,0,0]=4 959 B7R0.4 CCCCCC(=O)N 1P003RDF [1,0,1,0,0,0|2,0,0]=4 960 B7R0.4 CCCCCC(=O)O 1P0035GM [1,0,1,0,0,0|1,0,0]=3 961 B7R0.4 CCCCCC(=O)[O-] 1P0002NZ [1,0,1,0,0,0|1,0,1]=4 962 B7R0.4 CCCNCC(=O)N 1P01AM1O [1,0,1,0,0,0|1,0,0]=3 963 B7R0.4 CCCNCC(=O)O 1P019WR9 [1,0,1,0,0,0|0,0,0]=2 964 B7R0.4 CCCOCC(=O)O 1P00DDPU [1,0,1,0,0,0|1,0,0]=3 965 B7R0.4 CCCSCC(=O)C 1P01CANS [1,0,1,0,0,0|2,0,0]=4 966 B7R0.4 CCCSCC(=O)O 1P002AXA [1,0,1,0,0,0|1,0,0]=3 967 B7R0.4 CCC\C=C\C(=O)O 1P00HTPU [1,0,1,0,0,0|1,0,1]=4 968 B7R0.4 CCNCCC(=O)O 1P019WSK [1,0,1,0,0,0|2,0,0]=4 969 B7R0.4 CCOCCC(=O)O 1P003JUP [1,0,1,0,0,0|2,0,0]=4 970 B7R0.4 CCSCCC(=O)O 1P00FDIY [1,0,1,0,0,0|2,0,0]=4 971 B7R0.4 CC\C=C/CC(=O)O 1P0025TN [1,0,1,0,0,0|1,0,1]=4 972 B7R0.4 CC\C=C\CC(=O)O 1P001Q45 [1,0,1,0,0,0|1,0,1]=4 973 B7R0.4 CNCCCC(=O)O 1P0034AB [1,0,1,0,0,0|2,0,0]=4 974 B7R0.4 CNCCCC(=O)O 1P007DUH [1,0,1,0,0,0|2,0,0]=4 975 B7R0.4 COCCCC(=O)O 1P002VN5 [1,0,1,0,0,0|2,0,0]=4 976 B7R0.4 CSCCCC(=O)O 1P00MDZI [1,0,1,0,0,0|2,0,0]=4 977 B7R0.4 ClCCCCC(=O)C 1P0007J5 [1,0,1,0,0,0|2,0,0]=4 978 B7R0.4 ClCCCCC(=O)Cl 1P001PXW [1,0,1,0,0,0|2,0,0]=4 979 B7R0.4 ClCCCCC(=O)N 1P019Y9G [1,0,1,0,0,0|2,0,0]=4 980 B7R0.4 ClCCCCC(=O)O 1P0034Q2 [1,0,1,0,0,0|1,0,0]=3 981 B7R0.4 ClCCOCC(=O)O 1P001LKW [1,0,1,0,0,0|2,0,0]=4 982 B7R0.4 ClCCSCC(=O)O 1P01I29B [1,0,1,0,0,0|2,0,0]=4 983 B7R0.4 FCCCCC(=O)[O-] 1P02875F [1,0,1,0,0,0|1,0,1]=4 984 B7R0.4 FCCNC[C@@H](O)C 1P028D42 [1,0,1,0,0,0|1,0,1]=4 985 B7R0.4 FCCOCC(=O)O 1P028UIA [1,0,1,0,0,0|2,0,0]=4 986 B7R0.4 ICCCCC(=O)O 1P027L56 [1,0,1,0,0,0|1,0,0]=3 987 B7R0.4 N#CCCCC(=O)O 1P0076GP [1,0,1,0,0,0|0,0,2]=4 988 B7R0.4 NCCC#CC(=O)O 1P024H4A [1,0,1,0,0,0|0,0,2]=4 989 B7R0.4 NCCCCC(=N)N 1P028Q47 [1,0,1,0,0,0|2,0,0]=4 990 B7R0.4 NCCCCC(=O)N 1P01A4SH [1,0,1,0,0,0|1,0,0]=3 991 B7R0.4 NCCCCC(=O)O 1P00390H [1,0,1,0,0,0|0,0,0]=2 992 B7R0.4 NCCCCC(=O)O 1P003MVH [1,0,1,0,0,0|0,0,0]=2 993 B7R0.4 NCCCCC(=O)O 1P00HZV1 [1,0,1,0,0,0|0,0,0]=2 994 B7R0.4 NCCCCC(=O)O 1P01FNTV [1,0,1,0,0,0|0,0,0]=2 995 B7R0.4 NCCCNC(=O)N 1P01A01C [1,0,1,0,0,0|2,0,0]=4 996 B7R0.4 NCCCNC(=O)N 1P028XY4 [1,0,1,0,0,0|2,0,0]=4 997 B7R0.4 NCCCOC(=O)N 1P028PLU [1,0,1,0,0,0|2,0,0]=4 998 B7R0.4 NCCNCC(=O)O 1P003SPC [1,0,1,0,0,0|1,0,0]=3 999 B7R0.4 NCCNCC(=O)O 1P01DWQH [1,0,1,0,0,0|1,0,0]=3 1000 B7R0.4 NCCNCC(O)C 1P000KEG [1,0,1,0,0,0|1,0,1]=4 1001 B7R0.4 NCCOCC(=O)N 1P01A0II [1,0,1,0,0,0|2,0,0]=4 1002 B7R0.4 NCCOCC(=O)O 1P01A76U [1,0,1,0,0,0|1,0,0]=3 1003 B7R0.4 NCCSCC(=O)O 1P00VUW5 [1,0,1,0,0,0|1,0,0]=3 1004 B7R0.4 NOCCCC(=O)O 1P0032I9 [1,0,1,0,0,0|1,0,0]=3 1005 B7R0.4 O=CCCCC(=O)O 1P00EKL9 [1,0,1,0,0,0|1,0,1]=4 1006 B7R0.4 OCCCCC(=O)C 1P00BGAI [1,0,1,0,0,0|2,0,0]=4 1007 B7R0.4 OCCCCC(=O)N 1P002ZKN [1,0,1,0,0,0|2,0,0]=4 1008 B7R0.4 OCCCCC(=O)[O-] 1P003ALZ [1,0,1,0,0,0|1,0,1]=4 1009 B7R0.4 OCCCCC(=O)[O-] 1P01AA46 [1,0,1,0,0,0|1,0,1]=4 1010 B7R0.4 OCCCCC(O)C 1P003E7I [1,0,1,0,0,0|1,0,1]=4 1011 B7R0.4 OCCNCC(=O)O 1P00EFJ5 [1,0,1,0,0,0|0,0,0]=2 1012 B7R0.4 OCCNCC(C)C 1P00J2D1 [1,0,1,0,0,0|1,0,1]=4 1013 B7R0.4 OCCNCC(O)C 1P006OWY [1,0,1,0,0,0|0,0,1]=3 1014 B7R0.4 OCCOCC(=O)N 1P000KEF [1,0,1,0,0,0|2,0,0]=4 1015 B7R0.4 OCCOCC(=O)O 1P0080QG [1,0,1,0,0,0|1,0,0]=3 1016 B7R0.4 OCCOCC(=O)[O-] 1P001I37 [1,0,1,0,0,0|1,0,1]=4 1017 B7R0.4 SCCCCC(=O)O 1P002ZTK [1,0,1,0,0,0|1,0,0]=3 1018 B7R0.5 CC(=O)C(CCO)Cl 1P000UWG [1,0,1,0,0,0|2,0,0]=4 1019 B7R0.5 CC(C(=O)C)CCCl 1P007Q7I [1,0,1,0,0,0|2,0,0]=4 1020 B7R0.5 CC(C(=O)Cl)CCC 1P003I7K [1,0,1,0,0,0|2,0,0]=4 1021 B7R0.5 CC(C(=O)N)CCC 1P00607Q [1,0,1,0,0,0|2,0,0]=4 1022 B7R0.5 CC(C(=O)N)CCO 1P0077PI [1,0,1,0,0,0|1,0,0]=3 1023 B7R0.5 CC(C(=O)N)NCC 1P00J2EF [1,0,1,0,0,0|1,0,0]=3 1024 B7R0.5 CC(C(=O)O)CC#C 1P008PN0 [1,0,1,0,0,0|1,0,1]=4 1025 B7R0.5 CC(C(=O)O)CC#N 1P01BGKK [1,0,1,0,0,0|1,0,1]=4 1026 B7R0.5 CC(C(=O)O)CC=C 1P001PYS [1,0,1,0,0,0|1,0,1]=4 1027 B7R0.5 CC(C(=O)O)CCC 1P0033V6 [1,0,1,0,0,0|1,0,0]=3 1028 B7R0.5 CC(C(=O)O)CCN 1P007QFU [1,0,1,0,0,0|1,0,0]=3 1029 B7R0.5 CC(C(=O)O)CNC 1P00J2Y9 [1,0,1,0,0,0|2,0,0]=4 1030 B7R0.5 CC(C(=O)O)COC 1P007XM3 [1,0,1,0,0,0|2,0,0]=4 1031 B7R0.5 CC(C(=O)O)CSC 1P00EFBG [1,0,1,0,0,0|2,0,0]=4 1032 B7R0.5 CC(C(=O)O)NCC 1P01DZ09 [1,0,1,0,0,0|0,0,0]=2 1033 B7R0.5 CC(C(=O)O)OCC 1P00I9Y6 [1,0,1,0,0,0|1,0,0]=3 1034 B7R0.5 CC(C(=O)O)SCC 1P002A2O [1,0,1,0,0,0|1,0,0]=3 1035 B7R0.5 CCCC(=C)C(=O)O 1P00EIR9 [1,0,1,0,0,0|1,0,1]=4 1036 B7R0.5 CCCC(=O)C(=O)O 1P0023U2 [1,0,1,0,0,0|1,0,1]=4 1037 B7R0.5 CCCC(C(=O)C)Br 1P002ZAM [1,0,1,0,0,0|2,0,0]=4 1038 B7R0.5 CCCC(C(=O)N)Br 1P02852A [1,0,1,0,0,0|2,0,0]=4 1039 B7R0.5 CCCC(C(=O)N)N 1P01B51A [1,0,1,0,0,0|1,0,0]=3 1040 B7R0.5 CCCC(C(=O)O)Br 1P003H9U [1,0,1,0,0,0|1,0,0]=3 1041 B7R0.5 CCCC(C(=O)O)F 1P00B18T [1,0,1,0,0,0|1,0,0]=3 1042 B7R0.5 CCCC(C(=O)O)N 1P0036YR [1,0,1,0,0,0|0,0,0]=2 1043 B7R0.5 CCCC(C(=O)O)O 1P00EBYM [1,0,1,0,0,0|1,0,0]=3 1044 B7R0.5 CCCC(C(=O)O)S 1P00KF9S [1,0,1,0,0,0|1,0,0]=3 1045 B7R0.5 CCC[C@@H](C(=O)N)N 1P0006EZ [1,0,1,0,0,0|1,0,0]=3 1046 B7R0.5 CCC[C@@H](C(=O)O)Br 1P00C8EN [1,0,1,0,0,0|1,0,0]=3 1047 B7R0.5 CCC[C@@H](C(=O)O)N 1P003RTO [1,0,1,0,0,0|0,0,0]=2 1048 B7R0.5 CCC[C@@H](C(=O)O)O 1P00C8CR [1,0,1,0,0,0|1,0,0]=3 1049 B7R0.5 CCC[C@H](C(=O)O)Br 1P01HPLB [1,0,1,0,0,0|1,0,0]=3 1050 B7R0.5 CCC[C@H](C(=O)O)N 1P002DST [1,0,1,0,0,0|0,0,0]=2 1051 B7R0.5 CCC[C@H](C(=O)O)O 1P00CDG2 [1,0,1,0,0,0|1,0,0]=3 1052 B7R0.5 CCNC(=O)C(=O)O 1P00JEDA [1,0,1,0,0,0|1,0,1]=4 1053 B7R0.5 CN(C(=O)C)CCO 1P001OKA [1,0,1,0,0,0|2,0,0]=4 1054 B7R0.5 CNC[C@@H](C(=O)O)N 1P001S54 [1,0,1,0,0,0|1,0,0]=3 1055 B7R0.5 CNC[C@@H](C(=O)O)N 1P0290I6 [1,0,1,0,0,0|1,0,0]=3 1056 B7R0.5 COCC(C(=O)N)N 1P01A3LI [1,0,1,0,0,0|2,0,0]=4 1057 B7R0.5 COCC(C(=O)O)Br 1P00ED9O [1,0,1,0,0,0|2,0,0]=4 1058 B7R0.5 COCC(C(=O)O)Cl 1P003BNM [1,0,1,0,0,0|2,0,0]=4 1059 B7R0.5 COCC(C(=O)O)N 1P00I6NY [1,0,1,0,0,0|1,0,0]=3 1060 B7R0.5 COCC(C(=O)O)N 1P01A5C9 [1,0,1,0,0,0|1,0,0]=3 1061 B7R0.5 COC[C@@H](C(=O)O)N 1P002BNL [1,0,1,0,0,0|1,0,0]=3 1062 B7R0.5 COC[C@@H](C(=O)O)N 1P0037T9 [1,0,1,0,0,0|1,0,0]=3 1063 B7R0.5 COC[C@H](C(=O)O)N 1P0032VH [1,0,1,0,0,0|1,0,0]=3 1064 B7R0.5 COC[C@H](C(=O)O)N 1P004LJ9 [1,0,1,0,0,0|1,0,0]=3 1065 B7R0.5 CSCC(C(=O)O)O 1P001OTX [1,0,1,0,0,0|2,0,0]=4 1066 B7R0.5 CSC[C@@H](C(=O)O)N 1P003UQQ [1,0,1,0,0,0|1,0,0]=3 1067 B7R0.5 C[C@@H](C(=O)O)CC#C 1P028WDU [1,0,1,0,0,0|1,0,1]=4 1068 B7R0.5 C[C@@H](C(=O)O)CC=C 1P01GUL6 [1,0,1,0,0,0|1,0,1]=4 1069 B7R0.5 C[C@@H](C(=O)O)COC 1P027VIC [1,0,1,0,0,0|2,0,0]=4 1070 B7R0.5 C[C@@H](C(=O)O)NCC 1P00ENDL [1,0,1,0,0,0|0,0,0]=2 1071 B7R0.5 C[C@H](C(=O)O)CC#C 1P028ZLH [1,0,1,0,0,0|1,0,1]=4 1072 B7R0.5 C[C@H](C(=O)O)COC 1P01AG1F [1,0,1,0,0,0|2,0,0]=4 1073 B7R0.5 C[C@H](C(=O)O)NCC 1P01J7GU [1,0,1,0,0,0|0,0,0]=2 1074 B7R0.5 C[Se]C[C@@H](C(=O)O)N 1P002RYO [1,0,1,0,0,0|1,0,0]=3 1075 B7R0.5 C\C(=C/CC)\C(=O)O 1P003I2Q [1,0,1,0,0,0|1,0,1]=4 1076 B7R0.5 ClCCC(C(=O)Cl)C 1P00I9PJ [1,0,1,0,0,0|2,0,0]=4 1077 B7R0.5 NC(=O)C(CCO)O 1P0286EP [1,0,1,0,0,0|2,0,0]=4 1078 B7R0.5 NC(C(=O)O)CC#C 1P001YWB [1,0,1,0,0,0|0,0,2]=4 1079 B7R0.5 NC(C(=O)O)CC#C 1P0037TV [1,0,1,0,0,0|0,0,2]=4 1080 B7R0.5 NC(C(=O)O)CC=C 1P00ID8H [1,0,1,0,0,0|0,0,2]=4 1081 B7R0.5 NC(C(=O)O)CCCl 1P028VVG [1,0,1,0,0,0|1,0,0]=3 1082 B7R0.5 NC(C(=O)O)CCF 1P01B2JO [1,0,1,0,0,0|1,0,0]=3 1083 B7R0.5 NC(C(=O)O)CCN 1P0030UF [1,0,1,0,0,0|1,0,0]=3 1084 B7R0.5 NC(C(=O)O)CCS 1P00396E [1,0,1,0,0,0|0,1,0]=3 1085 B7R0.5 NCCC(C(=O)O)F 1P002TO1 [1,0,1,0,0,0|2,0,0]=4 1086 B7R0.5 NCCC(C(=O)O)N 1P003598 [1,0,1,0,0,0|1,0,0]=3 1087 B7R0.5 NCCC(C(=O)O)O 1P0039EQ [1,0,1,0,0,0|2,0,0]=4 1088 B7R0.5 NCC[C@@H](C(=O)O)N 1P002H9V [1,0,1,0,0,0|1,0,0]=3 1089 B7R0.5 NCC[C@@H](C(=O)O)O 1P003CUM [1,0,1,0,0,0|2,0,0]=4 1090 B7R0.5 NCC[C@H](C(=O)O)N 1P000XM3 [1,0,1,0,0,0|1,0,0]=3 1091 B7R0.5 NCC[C@H](C(=O)O)O 1P000EBP [1,0,1,0,0,0|2,0,0]=4 1092 B7R0.5 N[C@@H](C(=O)O)CC#C 1P002N2N [1,0,1,0,0,0|0,0,2]=4 1093 B7R0.5 N[C@@H](C(=O)O)CC#C 1P00GROI [1,0,1,0,0,0|0,0,2]=4 1094 B7R0.5 N[C@@H](C(=O)O)CC=C 1P003POY [1,0,1,0,0,0|0,0,2]=4 1095 B7R0.5 N[C@@H](C(=O)O)CC=C 1P007D56 [1,0,1,0,0,0|0,0,2]=4 1096 B7R0.5 N[C@@H](C(=O)O)CCN 1P007MVB [1,0,1,0,0,0|1,0,0]=3 1097 B7R0.5 N[C@@H](C(=O)O)CCS 1P00ECTR [1,0,1,0,0,0|0,1,0]=3 1098 B7R0.5 N[C@H](C(=O)O)CC#C 1P002C6G [1,0,1,0,0,0|0,0,2]=4 1099 B7R0.5 N[C@H](C(=O)O)CC#C 1P002N2O [1,0,1,0,0,0|0,0,2]=4 1100 B7R0.5 N[C@H](C(=O)O)CC=C 1P001UJ3 [1,0,1,0,0,0|0,0,2]=4 1101 B7R0.5 N[C@H](C(=O)O)CC=C 1P003CU8 [1,0,1,0,0,0|0,0,2]=4 1102 B7R0.5 N[C@H](C(=O)O)CCBr 1P003CX0 [1,0,1,0,0,0|1,0,0]=3 1103 B7R0.5 N[C@H](C(=O)O)CCN 1P0021O4 [1,0,1,0,0,0|1,0,0]=3 1104 B7R0.5 N[C@H](C(=O)O)CCN 1P005GDQ [1,0,1,0,0,0|1,0,0]=3 1105 B7R0.5 N[C@H](C(=O)O)CCN 1P00AKKB [1,0,1,0,0,0|1,0,0]=3 1106 B7R0.5 N[C@H](C(=O)O)CCS 1P0037WB [1,0,1,0,0,0|0,1,0]=3 1107 B7R0.5 O=CNC(C(=O)O)C 1P003THZ [1,0,1,0,0,0|0,0,2]=4 1108 B7R0.5 O=CN[C@H](C(=O)O)C 1P003TI4 [1,0,1,0,0,0|0,0,2]=4 1109 B7R0.5 OC(=O)C(CCBr)Br 1P00IBMF [1,0,1,0,0,0|2,0,0]=4 1110 B7R0.5 OC(=O)C(CCF)Br 1P0291J0 [1,0,1,0,0,0|2,0,0]=4 1111 B7R0.5 OCC[C@@H](C(=O)O)N 1P002GON [1,0,1,0,0,0|0,0,0]=2 1112 B7R0.5 OCC[C@H](C(=O)O)N 1P00355P [1,0,1,0,0,0|0,0,0]=2 1113 B7R0.5 OC\C=C(\C(=O)O)/C 1P028VCA [1,0,1,0,0,0|0,0,2]=4 1114 B7R0.5 [O-]C(=O)C(CCO)C 1P01EMT0 [1,0,1,0,0,0|0,0,1]=3 1115 B7R0.6 CC(=C)CCC(=O)O 1P0001EL [1,0,1,0,0,0|1,0,1]=4 1116 B7R0.6 CC(=O)CCC(=O)O 1P000KEL [1,0,1,0,0,0|0,0,2]=4 1117 B7R0.6 CC(CCC(=C)C)O 1P006YC2 [1,0,1,0,0,0|2,0,0]=4 1118 B7R0.6 CC(CCC(=O)C)C 1P003NBT [1,0,1,0,0,0|2,0,0]=4 1119 B7R0.6 CC(CCC(=O)C)Cl 1P0007YL [1,0,1,0,0,0|2,0,0]=4 1120 B7R0.6 CC(CCC(=O)Cl)C 1P003M9S [1,0,1,0,0,0|2,0,0]=4 1121 B7R0.6 CC(CCC(=O)Cl)Cl 1P00IBOS [1,0,1,0,0,0|2,0,0]=4 1122 B7R0.6 CC(CCC(=O)N)C 1P007DVM [1,0,1,0,0,0|2,0,0]=4 1123 B7R0.6 CC(CCC(=O)O)Br 1P01A4B3 [1,0,1,0,0,0|1,0,0]=3 1124 B7R0.6 CC(CCC(=O)O)C 1P003M9R [1,0,1,0,0,0|1,0,0]=3 1125 B7R0.6 CC(CCC(=O)O)N 1P001A2N [1,0,1,0,0,0|1,0,0]=3 1126 B7R0.6 CC(CCC(=O)O)N 1P01AKAQ [1,0,1,0,0,0|1,0,0]=3 1127 B7R0.6 CC(CCC(=O)O)O 1P0038KW [1,0,1,0,0,0|0,0,0]=2 1128 B7R0.6 CC(CCC(=O)O)S 1P000P7Q [1,0,1,0,0,0|0,1,0]=3 1129 B7R0.6 CC(CCC(=O)[O-])O 1P003BDK [1,0,1,0,0,0|0,0,1]=3 1130 B7R0.6 CC(CCC(O)C)O 1P002YLC [1,0,1,0,0,0|1,0,1]=4 1131 B7R0.6 CC(CNC(=O)C)O 1P00719V [1,0,1,0,0,0|2,0,0]=4 1132 B7R0.6 CC(NCC(=O)O)C 1P00C901 [1,0,1,0,0,0|2,0,0]=4 1133 B7R0.6 CC(NCC(=O)O)C 1P019MFH [1,0,1,0,0,0|2,0,0]=4 1134 B7R0.6 CC(OCC(=O)O)C 1P007FU5 [1,0,1,0,0,0|2,0,0]=4 1135 B7R0.6 CC(SCC(=O)O)C 1P006WX6 [1,0,1,0,0,0|2,0,0]=4 1136 B7R0.6 CN(CCC(=O)O)C 1P001FQ6 [1,0,1,0,0,0|2,0,0]=4 1137 B7R0.6 CN(CCC(=O)O)C 1P00E97T [1,0,1,0,0,0|2,0,0]=4 1138 B7R0.6 CS(=O)CCC(=O)O 1P001DGF [1,0,1,0,0,0|1,0,1]=4 1139 B7R0.6 C[C@@H](CCC(=O)O)N 1P028SQ6 [1,0,1,0,0,0|1,0,0]=3 1140 B7R0.6 C[C@@H](CC[C@@H](O)C)O 1P003C6C [1,0,1,0,0,0|1,0,1]=4 1141 B7R0.6 C[C@H](CCC(=O)O)N 1P01P6YP [1,0,1,0,0,0|1,0,0]=3 1142 B7R0.6 C[C@H](CCC(=O)O)S 1P028IQP [1,0,1,0,0,0|0,1,0]=3 1143 B7R0.6 C[C@H](CC[C@H](O)C)O 1P003C58 [1,0,1,0,0,0|1,0,1]=4 1144 B7R0.6 C[S+](CCC(=O)O)C 1P002KXE [1,0,1,0,0,0|2,0,0]=4 1145 B7R0.6 C[S+](CCC(=O)O)C 1P003C35 [1,0,1,0,0,0|2,0,0]=4 1146 B7R0.6 ClC(CCC(=O)O)Cl 1P01BSXU [1,0,1,0,0,0|2,0,0]=4 1147 B7R0.6 FC(CCC(=O)O)F 1P006BJ8 [1,0,1,0,0,0|2,0,0]=4 1148 B7R0.6 NC(=O)CCC(=O)O 1P003UWV [1,0,1,0,0,0|0,0,2]=4 1149 B7R0.6 OB(CCC(=O)O)O 1P01B8PX [1,0,1,0,0,0|2,0,0]=4 1150 B7R0.6 OC(=O)CCC(=O)O 1P003UWX [1,0,1,0,0,0|1,0,1]=4 1151 B7R0.6 OC(=O)CCC(=O)O 1P00BCU9 [1,0,1,0,0,0|1,0,1]=4 1152 B7R0.6 OC(=O)CCC(=O)O 1P00I4UF [1,0,1,0,0,0|1,0,1]=4 1153 B7R0.6 OC(=O)CCC(=O)O 1P00I5VN [1,0,1,0,0,0|1,0,1]=4 1154 B7R0.12 CCCC(C=O)CC 1P00BGAL [1,0,1,0,0,0|2,0,0]=4 1155 B7R0.12 CCCC(C=O)OC 1P01ANSK [1,0,1,0,0,0|2,0,0]=4 1156 B7R0.15 CCC(C(=O)C)CC 1P00ECA8 [1,0,1,0,0,0|2,0,0]=4 1157 B7R0.15 CCC(C(=O)Cl)CC 1P0033RE [1,0,1,0,0,0|2,0,0]=4 1158 B7R0.15 CCC(C(=O)N)CC 1P007TDC [1,0,1,0,0,0|2,0,0]=4 1159 B7R0.15 CCC(C(=O)N)NC 1P009E93 [1,0,1,0,0,0|1,0,0]=3 1160 B7R0.15 CCC(C(=O)O)C#N 1P00DUKD [1,0,1,0,0,0|2,0,0]=4 1161 B7R0.15 CCC(C(=O)O)C=C 1P0280ZW [1,0,1,0,0,0|1,0,1]=4 1162 B7R0.15 CCC(C(=O)O)CC 1P003HO8 [1,0,1,0,0,0|1,0,0]=3 1163 B7R0.15 CCC(C(=O)O)CN 1P01AH6Z [1,0,1,0,0,0|2,0,0]=4 1164 B7R0.15 CCC(C(=O)O)NC 1P019XQL [1,0,1,0,0,0|0,0,0]=2 1165 B7R0.15 CCC(C(=O)O)NN 1P001ROF [1,0,1,0,0,0|1,0,0]=3 1166 B7R0.15 CCC(C(=O)O)OC 1P00EE8W [1,0,1,0,0,0|1,0,0]=3 1167 B7R0.15 CCC(C(=O)O)SC 1P01A281 [1,0,1,0,0,0|1,0,0]=3 1168 B7R0.15 CCC(C(=O)[O-])CC 1P003RV0 [1,0,1,0,0,0|1,0,1]=4 1169 B7R0.15 CCC(C(=O)[O-])CO 1P01C65A [1,0,1,0,0,0|1,0,1]=4 1170 B7R0.15 CC[C@@H](C(=O)N)NC 1P01XC7N [1,0,1,0,0,0|1,0,0]=3 1171 B7R0.15 CC[C@@H](C(=O)O)NC 1P0048OD [1,0,1,0,0,0|0,0,0]=2 1172 B7R0.15 CC[C@H](C(=O)O)CN 1P00IV03 [1,0,1,0,0,0|2,0,0]=4 1173 B7R0.15 CC[C@H](C(=O)O)NC 1P028GU2 [1,0,1,0,0,0|0,0,0]=2 1174 B7R0.15 CN[C@@H](C(=O)O)CO 1P006LN1 [1,0,1,0,0,0|0,0,0]=2 1175 B7R0.15 CN[C@H](C(=O)O)CO 1P009WAM [1,0,1,0,0,0|0,0,0]=2 1176 B7R0.15 CN[C@H](C(=O)O)CS 1P009BLQ [1,0,1,0,0,0|0,1,0]=3 1177 B7R0.15 COC(C(=O)O)CN 1P01A4AE [1,0,1,0,0,0|2,0,0]=4 1178 B7R0.15 COC(C(=O)O)CO 1P0287BD [1,0,1,0,0,0|1,0,0]=3 1179 B7R0.15 COC(C(=O)O)OC 1P00ICVO [1,0,1,0,0,0|2,0,0]=4 1180 B7R0.15 CSC(C(=O)O)CCl 1P028MYD [1,0,1,0,0,0|2,0,0]=4 1181 B7R0.15 CSC(C(=O)O)SC 1P028OBG [1,0,1,0,0,0|2,0,0]=4 1182 B7R0.15 NCC(C(=O)O)NC 1P01BI8O [1,0,1,0,0,0|1,0,0]=3 1183 B7R0.15 NC[C@@H](C(=O)O)CO 1P0016D0 [1,0,1,0,0,0|2,0,0]=4 1184 B7R0.15 OCC(C(=O)O)CO 1P006JAW [1,0,1,0,0,0|2,0,0]=4 1185 B7R0.2 CCC(CC(O)C)N 1P01BRXC [1,0,1,0,0,0|1,0,1]=4 1186 B7R0.2 O=CC(CC(C)C)C 1P007MEQ [1,0,1,0,0,0|2,0,0]=4 1187 B7R0.2 OCC(CC(C)C)N 1P001US9 [1,0,1,0,0,0|1,0,1]=4 1188 B7R0.2 OC[C@@H](CC(C)C)N 1P00IA06 [1,0,1,0,0,0|1,0,1]=4 1189 B7R0.2 OC[C@H](CC(C)C)N 1P003CX1 [1,0,1,0,0,0|1,0,1]=4 1190 B7R1.1 BrCC1CCCN1 1P00CKVT [2,0,0,0,0,0|1,0,1]=4 1191 B7R1.1 BrC[C@@H]1CCCN1 1P00DJPT [2,0,0,0,0,0|1,0,1]=4 1192 B7R1.1 C#CC1CCCN1 1P000WS1 [2,0,0,0,0,0|1,0,1]=4 1193 B7R1.1 C=CC1CCCC1 1P003VS6 [2,0,0,0,0,0|2,0,0]=4 1194 B7R1.1 C=CC1CCCN1 1P000NZI [2,0,0,0,0,0|1,0,0]=3 1195 B7R1.1 C=CC1CCCO1 1P0288PV [2,0,0,0,0,0|2,0,0]=4 1196 B7R1.1 CCC1CCCN1 1P01AHO8 [2,0,0,0,0,0|1,0,1]=4 1197 B7R1.1 CC[C@@H]1CCCN1 1P00DIBN [2,0,0,0,0,0|1,0,1]=4 1198 B7R1.1 CC[C@H]1CCCN1 1P00EM15 [2,0,0,0,0,0|1,0,1]=4 1199 B7R1.1 ClC[C@@H]1CCCN1 1P00CLBF [2,0,0,0,0,0|1,0,1]=4 1200 B7R1.1 FCC1CCCN1 1P01AN6Z [2,0,0,0,0,0|1,0,1]=4 1201 B7R1.1 FC[C@@H]1CCCN1 1P0051XA [2,0,0,0,0,0|1,0,1]=4 1202 B7R1.1 FC[C@H]1CCCN1 1P00IF57 [2,0,0,0,0,0|1,0,1]=4 1203 B7R1.1 N#C[C@@H]1CCCN1 1P0032XL [2,0,0,0,0,0|1,0,1]=4 1204 B7R1.1 N#C[C@H]1CCCN1 1P005N0J [2,0,0,0,0,0|1,0,1]=4 1205 B7R1.1 NCC1CCCN1 1P00ECYN [2,0,0,0,0,0|1,0,1]=4 1206 B7R1.1 NC[C@@H]1CCCN1 1P003D4W [2,0,0,0,0,0|1,0,1]=4 1207 B7R1.1 NC[C@@H]1CCCN1 1P007H8F [2,0,0,0,0,0|1,0,1]=4 1208 B7R1.1 NC[C@H]1CCCN1 1P000PJG [2,0,0,0,0,0|1,0,1]=4 1209 B7R1.1 O=CC1=CCCC1 1P00EGML [2,0,0,0,0,0|1,0,1]=4 1210 B7R1.1 O=CC1CCCC1 1P00354L [2,0,0,0,0,0|1,0,0]=3 1211 B7R1.1 O=CC1CCCC1 1P0035E6 [2,0,0,0,0,0|1,0,0]=3 1212 B7R1.1 O=CC1CCCO1 1P0036B1 [2,0,0,0,0,0|1,0,0]=3 1213 B7R1.1 O=CC1COCC1 1P00G5BD [2,0,0,0,0,0|2,0,0]=4 1214 B7R1.1 O=CC1CSCC1 1P01BG6V [2,0,0,0,0,0|2,0,0]=4 1215 B7R1.1 O=CN1CCCC1 1P00BXTF [2,0,0,0,0,0|2,0,0]=4 1216 B7R1.1 OCC1CCCC1 1P00354O [2,0,0,0,0,0|1,0,1]=4 1217 B7R1.1 OCC1CCCN1 1P00D8LK [2,0,0,0,0,0|0,0,1]=3 1218 B7R1.1 OCC1CCCO1 1P003V5N [2,0,0,0,0,0|1,0,1]=4 1219 B7R1.1 OCC1CCCS1 1P00D41W [2,0,0,0,0,0|1,0,1]=4 1220 B7R1.1 OCC1CCON1 1P01EKGH [2,0,0,0,0,0|1,0,1]=4 1221 B7R1.1 OCC1NCCS1 1P0281VP [2,0,0,0,0,0|1,0,1]=4 1222 B7R1.1 OC[C@@H]1CCCN1 1P0032WM [2,0,0,0,0,0|0,0,1]=3 1223 B7R1.1 OC[C@@H]1CCCO1 1P0036G1 [2,0,0,0,0,0|1,0,1]=4 1224 B7R1.1 OC[C@H]1CCCN1 1P003CKM [2,0,0,0,0,0|0,0,1]=3 1225 B7R1.1 OC[C@H]1CCCN1 1P00ACI8 [2,0,0,0,0,0|0,0,1]=3 1226 B7R1.1 OC[C@H]1CCCO1 1P0032UH [2,0,0,0,0,0|1,0,1]=4 1227 B7R1.1 ON=C1CCCN1 1P01EIR0 [2,0,0,0,0,0|1,0,1]=4 1228 B7R1.1 ONC1CCCC1 1P00IB6K [2,0,0,0,0,0|2,0,0]=4 1229 B7R1.1 SCC1CCCN1 1P028JI4 [2,0,0,0,0,0|0,1,1]=4 1230 B7R1.1 SC[C@@H]1CCCN1 1P028CS9 [2,0,0,0,0,0|0,1,1]=4 1231 B7R1.1 SC[C@H]1CCCN1 1P028BMN [2,0,0,0,0,0|0,1,1]=4 1232 B7R1.2 CC1CC(=O)NC1 1P0039AR [2,0,0,0,0,0|1,0,1]=4 1233 B7R1.2 CC1CCC(C1)O 1P003K7U [2,0,0,0,0,0|1,0,1]=4 1234 B7R1.2 CC1NCC(C1)C 1P01AKTE [2,0,0,0,0,0|1,0,1]=4 1235 B7R1.2 C[C@@H]1CC(=O)NC1 1P002RUA [2,0,0,0,0,0|1,0,1]=4 1236 B7R1.2 C[C@H]1CC(=O)NC1 1P00I6FM [2,0,0,0,0,0|1,0,1]=4 1237 B7R1.2 FC1CNC(C1)C 1P028IQM [2,0,0,0,0,0|1,0,1]=4 1238 B7R1.2 F[C@@H]1CN[C@@H](C1)C 1P00I3KD [2,0,0,0,0,0|1,0,1]=4 1239 B7R1.2 F[C@@H]1CN[C@H](C1)C 1P024HC5 [2,0,0,0,0,0|1,0,1]=4 1240 B7R1.2 F[C@H]1CN[C@@H](C1)C 1P01XIFO [2,0,0,0,0,0|1,0,1]=4 1241 B7R1.2 F[C@H]1CN[C@H](C1)C 1P024HJK [2,0,0,0,0,0|1,0,1]=4 1242 B7R1.2 NC1CC(=O)NC1 1P003AG1 [2,0,0,0,0,0|1,0,1]=4 1243 B7R1.2 NC1CC(=O)NC1 1P00H05Z [2,0,0,0,0,0|1,0,1]=4 1244 B7R1.2 NC1CCC(C1)O 1P0013HI [2,0,0,0,0,0|2,0,0]=4 1245 B7R1.2 NC1CCC(C1)O 1P003ATO [2,0,0,0,0,0|2,0,0]=4 1246 B7R1.2 N[C@@H]1CC(=O)NC1 1P0026U9 [2,0,0,0,0,0|1,0,1]=4 1247 B7R1.2 N[C@@H]1CC[C@@H](C1)O 1P000YJ2 [2,0,0,0,0,0|2,0,0]=4 1248 B7R1.2 N[C@@H]1CC[C@@H](C1)O 1P007XRF [2,0,0,0,0,0|2,0,0]=4 1249 B7R1.2 N[C@@H]1CC[C@H](C1)O 1P000MNR [2,0,0,0,0,0|2,0,0]=4 1250 B7R1.2 N[C@H]1CC(=O)NC1 1P00IL5T [2,0,0,0,0,0|1,0,1]=4 1251 B7R1.2 N[C@H]1CC[C@@H](C1)O 1P0032SH [2,0,0,0,0,0|2,0,0]=4 1252 B7R1.2 N[C@H]1CC[C@@H](C1)O 1P0039LP [2,0,0,0,0,0|2,0,0]=4 1253 B7R1.2 N[C@H]1CC[C@H](C1)O 1P000XZL [2,0,0,0,0,0|2,0,0]=4 1254 B7R1.2 OC1CC(=O)NC1 1P00BFR9 [2,0,0,0,0,0|0,0,1]=3 1255 B7R1.2 OC1CC(=O)OC1 1P003BUD [2,0,0,0,0,0|1,0,1]=4 1256 B7R1.2 OC1CCC(=O)C1 1P0038LJ [2,0,0,0,0,0|1,0,1]=4 1257 B7R1.2 OC1CCC(C1)Br 1P006X0X [2,0,0,0,0,0|2,0,0]=4 1258 B7R1.2 OC1CCC(C1)O 1P003DZ4 [2,0,0,0,0,0|1,0,0]=3 1259 B7R1.2 OC1CCC(C1)S 1P028T6P [2,0,0,0,0,0|1,1,0]=4 1260 B7R1.2 OC1CNC(C1)C 1P01A1FZ [2,0,0,0,0,0|0,0,1]=3 1261 B7R1.2 OC1CNC(C1)C 1P01BD6F [2,0,0,0,0,0|0,0,1]=3 1262 B7R1.2 O[C@@H]1C=C[C@@H](C1)O 1P003PFT [2,0,0,0,0,0|1,0,1]=4 1263 B7R1.2 O[C@@H]1CC(=O)NC1 1P003BFG [2,0,0,0,0,0|0,0,1]=3 1264 B7R1.2 O[C@@H]1CC(=O)OC1 1P003CQZ [2,0,0,0,0,0|1,0,1]=4 1265 B7R1.2 O[C@@H]1CC[C@@H](C1)O 1P001UEV [2,0,0,0,0,0|1,0,0]=3 1266 B7R1.2 O[C@@H]1CC[C@H](C1)O 1P019GHU [2,0,0,0,0,0|1,0,0]=3 1267 B7R1.2 O[C@@H]1CN[C@@H](C1)C 1P00HC8F [2,0,0,0,0,0|0,0,1]=3 1268 B7R1.2 O[C@@H]1CN[C@H](C1)C 1P008ZIO [2,0,0,0,0,0|0,0,1]=3 1269 B7R1.2 O[C@H]1CC(=O)NC1 1P0032XY [2,0,0,0,0,0|0,0,1]=3 1270 B7R1.2 O[C@H]1CC(=O)OC1 1P005F8J [2,0,0,0,0,0|1,0,1]=4 1271 B7R1.2 O[C@H]1CN[C@@H](C1)C 1P00GAJW [2,0,0,0,0,0|0,0,1]=3 1272 B7R1.2 O[C@H]1CN[C@H](C1)C 1P00ILSC [2,0,0,0,0,0|0,0,1]=3 1273 B9R0.7 CC(C(=O)O)CCC(C)C 1P00K362 [0,1,1,0,0,0|2,0,0]=4 1274 B9R0.7 CC(C(=O)O)OCC(C)C 1P019NLD [0,1,1,0,0,0|2,0,0]=4 1275 B9R0.7 OC(=O)CC[C@H](C(=O)O)C 1P003CM1 [0,1,1,0,0,0|1,0,1]=4 1276 B9R0.7 OC(=O)CNC(C(=O)O)C 1P00C9CS [0,1,1,0,0,0|0,0,1]=3 1277 B9R0.7 OC(=O)CN[C@H](C(=O)O)C 1P00EL0F [0,1,1,0,0,0|0,0,1]=3 1278 B9R0.8 CC(C(=O)OC)NCCF 1P01EJHX [0,1,1,0,0,0|1,0,0]=3 1279 B9R0.8 CCCNC(C(=O)OC)C 1P01C837 [0,1,1,0,0,0|1,0,0]=3 1280 B9R0.8 CCCNC(C(=O)OC)C 1P01FKV4 [0,1,1,0,0,0|1,0,0]=3 1281 B9R0.8 CN(C(=O)OC)CCCO 1P028HWZ [0,1,1,0,0,0|2,0,0]=4 1282 B9R0.13 CCCCC(C(=O)O)CC 1P001LSU [0,1,1,0,0,0|2,0,0]=4 1283 B9R0.13 CCCCC(C(=O)O)CC 1P005NKL [0,1,1,0,0,0|2,0,0]=4 1284 B9R0.13 CCCC[C@@H](C(=O)O)NC 1P001ZCO [0,1,1,0,0,0|2,0,0]=4 1285 B9R0.13 CCCC[C@H](C(=O)O)CC 1P01GHCT [0,1,1,0,0,0|2,0,0]=4 1286 B9R0.13 NCCC[C@H](C(=O)O)NC 1P028UBV [0,1,1,0,0,0|2,0,0]=4 1287 B9R0.42 CC(C(=O)O)NC(=O)CC 1P00J276 [0,1,1,0,0,0|1,0,1]=4 1288 B9R0.42 C[C@@H](C(=O)O)NC(=O)CCl 1P000PH5 [0,1,1,0,0,0|1,0,1]=4 1289 B9R0.42 C[C@@H](C(=O)O)NC(=O)CN 1P002N56 [0,1,1,0,0,0|1,0,1]=4 1290 B9R0.42 OCC(C[C@@H](C(=O)O)N)C 1P007FA8 [0,1,1,0,0,0|2,0,0]=4 1291 B9R0.47 C#CCCCC(C(=O)O)C 1P020ME5 [0,1,1,0,0,0|2,0,0]=4 1292 B9R0.47 C=CCCC[C@@H](C(=O)O)C 1P027U73 [0,1,1,0,0,0|2,0,0]=4 1293 B9R0.47 CC(C(=O)N)NCCOC 1P01ABMB [0,1,1,0,0,0|1,0,0]=3 1294 B9R0.47 CC(C(=O)O)CSCCN 1P01C4YK [0,1,1,0,0,0|2,0,0]=4 1295 B9R0.47 CC(C(=O)O)NCCC#N 1P00IBRD [0,1,1,0,0,0|1,0,0]=3 1296 B9R0.47 CC(C(=O)O)OCCC#C 1P028GXG [0,1,1,0,0,0|2,0,0]=4 1297 B9R0.47 CC(C(=O)O)OCCC=C 1P019YKX [0,1,1,0,0,0|2,0,0]=4 1298 B9R0.47 CC(C(=O)O)OCCCC 1P001E99 [0,1,1,0,0,0|2,0,0]=4 1299 B9R0.47 CC(C(=O)O)OCCOC 1P01AISP [0,1,1,0,0,0|1,0,0]=3 1300 B9R0.47 CC(C(=O)O)SCCCC 1P004B9H [0,1,1,0,0,0|2,0,0]=4 1301 B9R0.47 CCCCCC(C(=O)O)C 1P003I62 [0,1,1,0,0,0|2,0,0]=4 1302 B9R0.47 COCCCC(C(=O)O)C 1P01A5J6 [0,1,1,0,0,0|1,0,0]=3 1303 B9R0.47 COCCCC(C(=O)O)N 1P01A0OO [0,1,1,0,0,0|2,0,0]=4 1304 B9R0.47 COCCNC(=O)C(=O)O 1P019XTH [0,1,1,0,0,0|1,0,1]=4 1305 B9R0.47 NOCCC[C@@H](C(=O)O)N 1P01A5W3 [0,1,1,0,0,0|2,0,0]=4 1306 B9R0.47 OCCCC[C@H](C(=O)O)N 1P01B5HC [0,1,1,0,0,0|2,0,0]=4 1307 B9R0.47 ONCCC[C@@H](C(=O)O)N 1P01FN0V [0,1,1,0,0,0|2,0,0]=4 1308 B9R0.51 CC(C(=O)O)(CCCC)F 1P01B2U3 [0,1,1,0,0,0|2,0,0]=4 1309 B9R0.51 CC(C(=O)O)(CCCC)N 1P028TIU [0,1,1,0,0,0|2,0,0]=4 1310 B9R0.51 CCCCC(C(=O)O)(C)C 1P0053IQ [0,1,1,0,0,0|2,0,0]=4 1311 B9R0.51 CCCOC(C(=O)O)(C)C 1P027XF8 [0,1,1,0,0,0|2,0,0]=4 1312 B9R0.51 ClCCOC(C(=O)O)(C)C 1P028N5K [0,1,1,0,0,0|2,0,0]=4 1313 B9R0.51 FCCCC(C(=O)O)(C)C 1P029060 [0,1,1,0,0,0|2,0,0]=4 1314 B9R0.51 NCCCC(C(=O)O)(C)C 1P01A399 [0,1,1,0,0,0|2,0,0]=4 1315 B9R0.21 NCC(CCS(=O)(=O)C)O 1P0280HE [0,1,1,0,0,0|1,0,1]=4 1316 B9R0.23 CC(C(CC(=O)O)O)CC 1P0291JV [0,1,1,0,0,0|2,0,0]=4 1317 B9R0.24 BrCC(CCC(=O)OC)C 1P028365 [0,1,1,0,0,0|2,0,0]=4 1318 B9R0.24 CCC(CCC(=O)OC)N 1P01FJTT [0,1,1,0,0,0|2,0,0]=4 1319 B9R0.24 NCC(=O)CCC(=O)OC 1P0036XD [0,1,1,0,0,0|0,0,2]=4 1320 B9R0.43 CCC(CCC(=O)O)CC 1P00F40H [0,1,1,0,0,0|2,0,0]=4 1321 B9R0.43 CCC(CCC(=O)O)OC 1P028RAK [0,1,1,0,0,0|1,0,0]=3 1322 B9R0.43 COC(CN)CCC(=O)O 1P027UGG [0,1,1,0,0,0|0,0,0]=2 1323 B9R0.43 FCC(CCC(=O)O)CF 1P0293W0 [0,1,1,0,0,0|2,0,0]=4 1324 B9R0.48 CC(OCC)CCC(=O)O 1P024SFD [0,1,1,0,0,0|2,0,0]=4 1325 B9R0.64 BrCC(CCC(=O)O)(C)C 1P0281H6 [0,1,1,0,0,0|2,0,0]=4 1326 B9R0.64 CC(CC)(CCC(=O)O)N 1P028VEV [0,1,1,0,0,0|2,0,0]=4 1327 B9R0.64 NCC(OCC(=O)O)(C)C 1P02819L [0,1,1,0,0,0|2,0,0]=4 1328 B9R0.12 CCCC(C(=O)OC)NC 1P028OIX [0,1,1,0,0,0|1,0,0]=3 1329 B9R0.15 CCCC(C(=O)O)CCC 1P0033WB [0,1,1,0,0,0|2,0,0]=4 1330 B9R0.15 CCCC(C(=O)O)CCC 1P00ID7O [0,1,1,0,0,0|2,0,0]=4 1331 B9R0.15 CCCC(C(=O)O)OCC 1P006GU4 [0,1,1,0,0,0|2,0,0]=4 1332 B9R0.15 NCCC(C(=O)O)CCN 1P019Z0H [0,1,1,0,0,0|2,0,0]=4 1333 B9R0.29 CCC(C(C(=O)O)OC)C 1P01BHES [0,1,1,0,0,0|2,0,0]=4 1334 B9R0.29 CC[C@@H]([C@@H](C(=O)O)NC)C 1P00C0A1 [0,1,1,0,0,0|1,0,0]=3 1335 B9R0.33 CCCC(C(=O)O)C(C)C 1P00EF5N [0,1,1,0,0,0|2,0,0]=4 1336 B9R0.33 CCCC(C(=O)O)N(C)C 1P01A2KV [0,1,1,0,0,0|1,0,0]=3 1337 B9R0.33 CCC[C@@H](C(=O)O)N(C)C 1P028GZ0 [0,1,1,0,0,0|1,0,0]=3 1338 B9R0.33 CCC[C@H](C(=O)O)N(C)C 1P028EDQ [0,1,1,0,0,0|1,0,0]=3 1339 B9R0.33 NCCC(C(=O)O)C(C)C 1P01XIWL [0,1,1,0,0,0|2,0,0]=4 1340 B9R0.33 OCC[C@@H](C(=O)O)N(C)C 1P0280N4 [0,1,1,0,0,0|0,0,0]=2 1341 B9R0.39 CCC(C(=O)O)CC(=O)O 1P003917 [0,1,1,0,0,0|1,0,1]=4 1342 B9R0.39 CCC(C(=O)O)CC(C)C 1P0083IU [0,1,1,0,0,0|2,0,0]=4 1343 B9R0.39 CCC(C(=O)O)CC(F)F 1P01C2T6 [0,1,1,0,0,0|2,0,0]=4 1344 B9R0.39 CNC(C(=O)C)CC(=O)O 1P00C18E [0,1,1,0,0,0|1,0,1]=4 1345 B9R0.39 CNC(C(=O)O)CC(=O)O 1P00BIDR [0,1,1,0,0,0|0,0,1]=3 1346 B9R0.39 CNC(C(=O)O)CC(C)C 1P003TO9 [0,1,1,0,0,0|1,0,0]=3 1347 B9R0.39 CN[C@@H](C(=O)O)CC(=O)O 1P003TNX [0,1,1,0,0,0|0,0,1]=3 1348 B9R0.39 CN[C@@H](C(=O)O)CC(C)C 1P0017B8 [0,1,1,0,0,0|1,0,0]=3 1349 B9R0.39 CN[C@@H](C(=O)O)CC(C)C 1P00D0O0 [0,1,1,0,0,0|1,0,0]=3 1350 B9R0.39 CN[C@H](C(=O)N)CC(C)C 1P01BIH8 [0,1,1,0,0,0|2,0,0]=4 1351 B9R0.39 CN[C@H](C(=O)O)CC(=O)N 1P0062X5 [0,1,1,0,0,0|0,0,2]=4 1352 B9R0.39 CN[C@H](C(=O)O)CC(=O)O 1P0026EU [0,1,1,0,0,0|0,0,1]=3 1353 B9R0.39 CN[C@H](C(=O)O)CC(C)C 1P003147 [0,1,1,0,0,0|1,0,0]=3 1354 B9R0.39 CN[C@H](C(=O)O)CC(C)C 1P00FAQ4 [0,1,1,0,0,0|1,0,0]=3 1355 B9R0.39 COC(C(=O)O)CC(=O)O 1P01HCXD [0,1,1,0,0,0|1,0,1]=4 1356 B9R0.39 COC(C(=O)O)CC(C)C 1P01C3J5 [0,1,1,0,0,0|2,0,0]=4 1357 B9R0.39 COC(C(=O)O)CC(F)F 1P024SGL [0,1,1,0,0,0|2,0,0]=4 1358 B9R0.74 CCCC(C(=O)O)(CC)C 1P0033RA [0,1,1,0,0,0|2,0,0]=4 1359 B9R0.74 COCC(C(=O)O)(NC)C 1P01ANSV [0,1,1,0,0,0|2,0,0]=4 1360 B9R0.11 CC(CC(C(=O)N)(N)C)C 1P01AI1B [0,1,1,0,0,0|2,0,0]=4 1361 B9R0.11 CC(CC(C(=O)O)(Br)C)C 1P028B2J [0,1,1,0,0,0|2,0,0]=4 1362 B9R0.11 CC(CC(C(=O)O)(C)C)C 1P019ZBB [0,1,1,0,0,0|2,0,0]=4 1363 B9R0.11 CC(CC(C(=O)O)(F)F)C 1P028Z8S [0,1,1,0,0,0|2,0,0]=4 1364 B9R0.11 CC(CC(C(=O)O)(O)C)C 1P003HUB [0,1,1,0,0,0|2,0,0]=4 1365 B9R0.11 CC(C[C@@](C(=O)O)(N)C)C 1P001J7Z [0,1,1,0,0,0|1,0,0]=3 1366 B9R0.11 CC(C[C@](C(=O)O)(N)C)C 1P002ZBC [0,1,1,0,0,0|1,0,0]=3 1367 B9R0.11 CN(CC(C(=O)O)(N)C)C 1P00K4CF [0,1,1,0,0,0|2,0,0]=4 1368 B9R0.11 OC(=O)C[C@@](C(=O)O)(N)C 1P007K6T [0,1,1,0,0,0|1,0,1]=4 1369 B9R0.57 CC(C(=O)O)CC(C)(C)C 1P01ADOK [0,1,1,0,0,0|2,0,0]=4 1370 B9R0.57 CC(C(=O)O)CC(F)(F)C 1P024ULX [0,1,1,0,0,0|2,0,0]=4 1371 B9R0.57 CC(C(=O)O)CC(N)(C)C 1P01AGET [0,1,1,0,0,0|2,0,0]=4 1372 B9R0.57 CC(C(=O)[O-])CC(O)(C)C 1P028BG7 [0,1,1,0,0,0|1,0,1]=4 1373 B9R0.57 FC(C(=O)O)CC(C)(C)C 1P027UGQ [0,1,1,0,0,0|2,0,0]=4 1374 B9R0.57 NC(C(=O)O)CC(C)(C)C 1P00E9L2 [0,1,1,0,0,0|1,0,0]=3 1375 B9R0.57 NC(C(=O)O)CC(C)(C)C 1P01A2A3 [0,1,1,0,0,0|1,0,0]=3 1376 B9R0.57 NC(C(=O)O)CC(Cl)(C)C 1P01C5Z3 [0,1,1,0,0,0|1,0,0]=3 1377 B9R0.57 NC(C(=O)O)CC(F)(F)C 1P028C8P [0,1,1,0,0,0|1,0,0]=3 1378 B9R0.57 NC(C(=O)O)CC(F)(F)F 1P001RNV [0,1,1,0,0,0|2,0,0]=4 1379 B9R0.57 NC(C(=O)O)CC(F)(F)F 1P002STT [0,1,1,0,0,0|2,0,0]=4 1380 B9R0.57 NC(C(=O)O)C[Si](C)(C)C 1P028409 [0,1,1,0,0,0|1,1,0]=4 1381 B9R0.57 NC(C(=O)[O-])CC(O)(C)C 1P01AGGU [0,1,1,0,0,0|0,0,1]=3 1382 B9R0.57 N[C@@H](C(=O)O)CC(C)(C)C 1P0032VI [0,1,1,0,0,0|1,0,0]=3 1383 B9R0.57 N[C@H](C(=O)O)CC(C)(C)C 1P003D1J [0,1,1,0,0,0|1,0,0]=3 1384 B9R0.57 N[C@H](C(=O)O)CC(C)(C)C 1P0286IT [0,1,1,0,0,0|1,0,0]=3 1385 B9R0.57 N[C@H](C(=O)O)CC(F)(C)C 1P00G494 [0,1,1,0,0,0|1,0,0]=3 1386 B9R0.57 N[C@H](C(=O)O)CC(F)(F)F 1P001ROR [0,1,1,0,0,0|2,0,0]=4 1387 B9R0.57 O=C(O)[C@@H](N)C[Si](C)(C)C 1P01KHLD [0,1,1,0,0,0|1,1,0]=4 1388 B9R0.57 OC(=O)C(CP(=O)(C)C)N 1P0284Q5 [0,1,1,0,0,0|1,0,1]=4 1389 B9R0.57 OC(=O)C(CP(=O)(O)C)N 1P0288A0 [0,1,1,0,0,0|1,0,0]=3 1390 B9R0.57 OC(=O)C(CP(=O)(O)O)N 1P00EK71 [0,1,1,0,0,0|2,0,0]=4 1391 B9R0.57 OC(=O)[C@H](CS(=O)(=O)C)N 1P01B2KC [0,1,1,0,0,0|1,0,1]=4 1392 B9R0.57 OC(=O)[C@H](CS(=O)(=O)C)N 1P01BJE0 [0,1,1,0,0,0|1,0,1]=4 1393 B9R0.57 OC(=O)[C@H](CS(=O)(=O)O)N 1P000VSO [0,1,1,0,0,0|2,0,0]=4 1394 B9R0.57 OC(=O)[C@H](CS(=O)(=O)O)N 1P002O2W [0,1,1,0,0,0|2,0,0]=4 1395 B9R0.57 OC(C(=O)O)CC(C)(C)C 1P006TTC [0,1,1,0,0,0|2,0,0]=4 1396 B9R0.79 CC(C(C(C(=O)O)C)O)C 1P0291EG [0,1,1,0,0,0|2,0,0]=4 1397 B9R0.79 CC(C(C(C(=O)O)N)C)C 1P01AG6A [0,1,1,0,0,0|1,0,0]=3 1398 B9R0.79 CC(C(C(C(=O)O)N)C)C 1P028O9Y [0,1,1,0,0,0|1,0,0]=3 1399 B9R0.79 CC(C(C(C(=O)O)N)O)C 1P00FUN1 [0,1,1,0,0,0|1,0,0]=3 1400 B9R0.79 CC(C(C(C(=O)O)O)O)C 1P028OZZ [0,1,1,0,0,0|2,0,0]=4 1401 B9R0.79 CC(C([C@@H](C(=O)O)N)F)C 1P01FIWR [0,1,1,0,0,0|1,0,0]=3 1402 B9R0.79 CC([C@@H]([C@@H](C(=O)O)N)C)O 1P003M06 [0,1,1,0,0,0|0,0,0]=2 1403 B9R0.79 CC([C@@H]([C@@H](C(=O)O)N)O)C 1P00051U [0,1,1,0,0,0|1,0,0]=3 1404 B9R0.79 CC([C@@H]([C@H](C(=O)O)C)O)C 1P00LU0B [0,1,1,0,0,0|2,0,0]=4 1405 B9R0.79 CC([C@@H]([C@H](C(=O)O)N)O)C 1P004GUQ [0,1,1,0,0,0|1,0,0]=3 1406 B9R0.79 CC([C@H]([C@@H](C(=O)O)N)O)C 1P00051T [0,1,1,0,0,0|1,0,0]=3 1407 B9R0.79 C[C@@H]([C@@H]([C@@H](C(=O)O)N)C)O 1P0037JJ [0,1,1,0,0,0|0,0,0]=2 1408 B9R0.79 OC(=O)[C@@H]([C@@H](C(=O)O)N)O 1P01EKJH [0,1,1,0,0,0|1,0,1]=4 1409 B9R0.79 OC(=O)[C@H](C(C(=O)O)C)N 1P002Z6M [0,1,1,0,0,0|1,0,1]=4 1410 B9R0.79 OC(=O)[C@H]([C@@H](C(=O)O)N)O 1P00C023 [0,1,1,0,0,0|1,0,1]=4 1411 B9R0.1 CCC(CCCC(=O)O)C 1P007TWS [0,1,1,0,0,0|2,0,0]=4 1412 B9R0.1 CCC(CCCC(=O)[O-])O 1P028EKM [0,1,1,0,0,0|1,0,1]=4 1413 B9R0.1 COC(=O)CCCC(Br)C 1P021RUB [0,1,1,0,0,0|2,0,0]=4 1414 B9R0.1 COC(=O)CNCC(C)C 1P019ZYQ [0,1,1,0,0,0|1,0,0]=3 1415 B9R0.1 COC(=O)CNCC(F)F 1P01A050 [0,1,1,0,0,0|2,0,0]=4 1416 B9R0.1 COC(=O)CNCC(F)F 1P01BGUN [0,1,1,0,0,0|2,0,0]=4 1417 B9R0.53 CC(CC(CC(=O)O)C)C 1P00EG1D [0,1,1,0,0,0|2,0,0]=4 1418 B9R0.53 CC(CC(CC(=O)O)N)C 1P0003JH [0,1,1,0,0,0|2,0,0]=4 1419 B9R0.53 CC(CC(CC(=O)O)N)C 1P003JDB [0,1,1,0,0,0|2,0,0]=4 1420 B9R0.53 CC(CC(CC(=O)O)O)C 1P00CZ4R [0,1,1,0,0,0|2,0,0]=4 1421 B9R0.53 CC(CN(CC(O)C)O)O 1P0039MT [0,1,1,0,0,0|1,0,1]=4 1422 B9R0.53 CC(C[C@@H](CC(=O)O)N)C 1P003RP6 [0,1,1,0,0,0|2,0,0]=4 1423 B9R0.53 CC(C[C@@H](CC(=O)O)N)C 1P007O5X [0,1,1,0,0,0|2,0,0]=4 1424 B9R0.53 CC(C[C@@H](CC(=O)O)O)C 1P0288QD [0,1,1,0,0,0|2,0,0]=4 1425 B9R0.53 CC(C[C@H](CC(=O)O)N)C 1P000XNZ [0,1,1,0,0,0|2,0,0]=4 1426 B9R0.53 CC(C[C@H](CC(=O)O)N)C 1P006D2D [0,1,1,0,0,0|2,0,0]=4 1427 B9R0.53 CC(C[C@H](CC(=O)O)O)C 1P0288Q6 [0,1,1,0,0,0|2,0,0]=4 1428 B9R0.53 CN(CC(=O)O)CC(=O)O 1P0035V4 [0,1,1,0,0,0|1,0,1]=4 1429 B9R0.56 OC(=O)CCCC(C)(C)C 1P002OSG [0,1,1,0,0,0|2,0,0]=4 1430 B9R0.56 OC(=O)CCCC(F)(F)C 1P028IVU [0,1,1,0,0,0|2,0,0]=4 1431 B9R0.56 OC(=O)CNCC(C)(C)C 1P01B6TR [0,1,1,0,0,0|1,0,0]=3 1432 B9R0.56 OC(=O)CNCC(F)(F)F 1P018SQT [0,1,1,0,0,0|2,0,0]=4 1433 B9R0.56 OC(=O)CNCC(O)(C)C 1P028C4H [0,1,1,0,0,0|0,0,0]=2 1434 B9R0.56 OC(=O)CNCP(=O)(C)C 1P028H9Z [0,1,1,0,0,0|1,0,1]=4 1435 B9R0.56 OC(=O)CNCP(=O)(O)O 1P0035FW [0,1,1,0,0,0|2,0,0]=4 1436 B9R0.56 OC(=O)COCC(C)(C)C 1P028VIS [0,1,1,0,0,0|2,0,0]=4 1437 B9R0.56 [O-]C(=O)CCCC(O)(C)C 1P01BBKM [0,1,1,0,0,0|1,0,1]=4 1438 B9R1.7 CNC[C@H]1NC[C@@H](C1)O 1P01C2PC [1,1,0,0,0,0|1,0,1]=4 1439 B9R1.7 COCC1CC(CN1)O 1P01C3A6 [1,1,0,0,0,0|0,0,1]=3 1440 B9R1.7 COC[C@@H]1C[C@@H](CN1)O 1P01C3C5 [1,1,0,0,0,0|0,0,1]=3 1441 B9R1.7 COC[C@@H]1C[C@H](CN1)O 1P01C5RU [1,1,0,0,0,0|0,0,1]=3 1442 B9R1.7 COC[C@H]1C[C@@H](CN1)O 1P028IFM [1,1,0,0,0,0|0,0,1]=3 1443 B9R1.7 COC[C@H]1C[C@H](CN1)O 1P01C5XL [1,1,0,0,0,0|0,0,1]=3 1444 B9R1.7 O=CCC1CCC(C1)C 1P029383 [1,1,0,0,0,0|2,0,0]=4 1445 B9R1.21 CO[C@@H]1CN[C@@H](C1)CN 1P028I7X [1,1,0,0,0,0|1,0,1]=4 1446 B9R1.21 CO[C@@H]1CN[C@@H](C1)CO 1P01AV66 [1,1,0,0,0,0|0,0,1]=3 1447 B9R1.21 CO[C@H]1CN[C@@H](C1)CCl 1P028LMZ [1,1,0,0,0,0|1,0,1]=4 1448 B9R1.21 CO[C@H]1CN[C@@H](C1)CO 1P020420 [1,1,0,0,0,0|0,0,1]=3 1449 B9R1.21 CO[C@H]1CN[C@H](C1)CF 1P028E90 [1,1,0,0,0,0|1,0,1]=4 1450 B9R1.21 O=CC1CCC(C1)C=O 1P01C849 [1,1,0,0,0,0|1,0,1]=4 1451 B9R1.21 OCC1NCC(C1)CO 1P01EIIC [1,1,0,0,0,0|0,0,1]=3 1452 B9R1.22 CN1CC(CC1CN)O 1P01B52L [1,1,0,0,0,0|1,0,1]=4 1453 B9R1.22 CN1C[C@@H](C[C@H]1CO)F 1P01WTLI [1,1,0,0,0,0|1,0,1]=4 1454 B9R1.22 CN1C[C@@H](C[C@H]1CO)N 1P027OUS [1,1,0,0,0,0|1,0,1]=4 1455 B9R1.22 CN1C[C@H](C[C@H]1CO)F 1P01XAEF [1,1,0,0,0,0|1,0,1]=4 1456 B9R1.22 OC[C@@H]1C[C@@H](CN1C)N 1P00J2PL [1,1,0,0,0,0|1,0,1]=4 1457 B9R1.22 OC[C@@H]1C[C@@H](CN1C)O 1P01DZKW [1,1,0,0,0,0|0,0,1]=3 1458 B9R1.22 OC[C@@H]1C[C@H](CN1C)O 1P007EAU [1,1,0,0,0,0|0,0,1]=3 1459 B9R1.125 OCC1(C)NCC(C1)O 1P01B7FG [1,1,0,0,0,0|0,0,1]=3 1460 B9R1.132 FC[C@@H]1NC[C@H]([C@H]1O)O 1P028N64 [1,1,0,0,0,0|1,0,1]=4 1461 B9R1.132 OC[C@@H]1NC[C@H]([C@H]1O)O 1P028N36 [1,1,0,0,0,0|0,0,1]=3 1462 B9R1.132 OC[C@H]1NC[C@H]([C@@H]1O)O 1P008Z39 [1,1,0,0,0,0|0,0,1]=3 1463 B9R1.133 O=CC1CCC(C1)(C)C 1P0284HP [1,1,0,0,0,0|2,0,0]=4 1464 B9R1.133 O=CC1CCC(C1)(F)F 1P01BSFS [1,1,0,0,0,0|2,0,0]=4 1465 B9R1.133 OCC1NCC(C1)(C)C 1P00935R [1,1,0,0,0,0|1,0,1]=4 1466 B9R1.133 OCC1NCC(C1)(F)F 1P01AGIV [1,1,0,0,0,0|1,0,1]=4 1467 B9R1.133 OC[C@@H]1NCC(C1)(C)C 1P00AO4T [1,1,0,0,0,0|1,0,1]=4 1468 B9R1.133 OC[C@@H]1NCC(C1)(F)F 1P000ZVQ [1,1,0,0,0,0|1,0,1]=4 1469 B9R1.133 OC[C@H]1NCC(C1)(F)F 1P00IBHD [1,1,0,0,0,0|1,0,1]=4 1470 B9R1.11 BrCC(=O)C1CCCC1 1P00DBWM [1,1,0,0,0,0|2,0,0]=4 1471 B9R1.11 CCC(=O)C1CCCC1 1P00FDHE [1,1,0,0,0,0|2,0,0]=4 1472 B9R1.11 CCC(=O)[C@@H]1CCCN1 1P01C2EY [1,1,0,0,0,0|1,0,0]=3 1473 B9R1.11 CCC([C@@H]1CCCN1)O 1P027YOB [1,1,0,0,0,0|1,0,1]=4 1474 B9R1.11 CCC([C@H]1CCCN1)O 1P028OGY [1,1,0,0,0,0|1,0,1]=4 1475 B9R1.11 CNC(=O)C1CCCC1 1P00DL2T [1,1,0,0,0,0|2,0,0]=4 1476 B9R1.11 CNC(=O)C1CCCN1 1P019VH8 [1,1,0,0,0,0|1,0,0]=3 1477 B9R1.11 CNC(=O)C1CSCN1 1P0289EB [1,1,0,0,0,0|2,0,0]=4 1478 B9R1.11 CNC(=O)[C@@H]1CCCN1 1P00C66X [1,1,0,0,0,0|1,0,0]=3 1479 B9R1.11 CNC(=O)[C@@H]1CCCN1 1P00DKAX [1,1,0,0,0,0|1,0,0]=3 1480 B9R1.11 CNC(=O)[C@@H]1CCCO1 1P01A7H9 [1,1,0,0,0,0|2,0,0]=4 1481 B9R1.11 COC(=N)C1CCCC1 1P007BSM [1,1,0,0,0,0|2,0,0]=4 1482 B9R1.11 COC(=O)C1=CCCC1 1P003S0X [1,1,0,0,0,0|1,0,1]=4 1483 B9R1.11 COC(=O)C1CCC=C1 1P006Y0C [1,1,0,0,0,0|1,0,1]=4 1484 B9R1.11 COC(=O)C1CCCC1 1P003973 [1,1,0,0,0,0|1,0,0]=3 1485 B9R1.11 COC(=O)C1CCCN1 1P00DFHC [1,1,0,0,0,0|0,0,0]=2 1486 B9R1.11 COC(=O)C1CCCN1 1P00G418 [1,1,0,0,0,0|0,0,0]=2 1487 B9R1.11 COC(=O)C1CCCO1 1P003SJB [1,1,0,0,0,0|1,0,0]=3 1488 B9R1.11 COC(=O)C1CCNO1 1P01FJN1 [1,1,0,0,0,0|2,0,0]=4 1489 B9R1.11 COC(=O)C1CCSS1 1P028QBT [1,1,0,0,0,0|2,0,0]=4 1490 B9R1.11 COC(=O)C1CNCC1 1P002CAX [1,1,0,0,0,0|2,0,0]=4 1491 B9R1.11 COC(=O)C1CNCC1 1P006RNZ [1,1,0,0,0,0|2,0,0]=4 1492 B9R1.11 COC(=O)C1COCC1 1P003A8O [1,1,0,0,0,0|2,0,0]=4 1493 B9R1.11 COC(=O)C1CSCN1 1P00C8SP [1,1,0,0,0,0|1,0,0]=3 1494 B9R1.11 COC(=O)C1NCC=C1 1P00DSTT [1,1,0,0,0,0|0,0,2]=4 1495 B9R1.11 COC(=O)C1NCCS1 1P003SJE [1,1,0,0,0,0|1,0,0]=3 1496 B9R1.11 COC(=O)N1CCCC1 1P00EFZQ [1,1,0,0,0,0|2,0,0]=4 1497 B9R1.11 COC(=O)[C@@H]1CCCN1 1P0039CV [1,1,0,0,0,0|0,0,0]=2 1498 B9R1.11 COC(=O)[C@@H]1CNCC1 1P0038SW [1,1,0,0,0,0|2,0,0]=4 1499 B9R1.11 COC(=O)[C@@H]1COCC1 1P001WPT [1,1,0,0,0,0|2,0,0]=4 1500 B9R1.11 COC(=O)[C@H]1CCCN1 1P003QCV [1,1,0,0,0,0|0,0,0]=2 1501 B9R1.11 COC(=O)[C@H]1CNCC1 1P008COF [1,1,0,0,0,0|2,0,0]=4 1502 B9R1.11 COC(=O)[C@H]1CNCC1 1P00HYFM [1,1,0,0,0,0|2,0,0]=4 1503 B9R1.11 COC(=O)[C@H]1COCC1 1P002FMR [1,1,0,0,0,0|2,0,0]=4 1504 B9R1.11 COC(=O)[C@H]1NCC=C1 1P007SWR [1,1,0,0,0,0|0,0,2]=4 1505 B9R1.11 ClCC(=O)C1CCCC1 1P00GYTR [1,1,0,0,0,0|2,0,0]=4 1506 B9R1.11 ClCC(=O)C1CCCO1 1P001G9L [1,1,0,0,0,0|2,0,0]=4 1507 B9R1.11 NCC(=O)C1CCCC1 1P01BXYG [1,1,0,0,0,0|2,0,0]=4 1508 B9R1.11 NNC(=O)C1CCCC1 1P00C7X1 [1,1,0,0,0,0|2,0,0]=4 1509 B9R1.11 NNC(=O)C1CCCO1 1P00EAF5 [1,1,0,0,0,0|2,0,0]=4 1510 B9R1.11 NNC(=O)[C@@H]1CCCO1 1P01AM6J [1,1,0,0,0,0|2,0,0]=4 1511 B9R1.11 NNC(=O)[C@H]1CCCO1 1P01AMA4 [1,1,0,0,0,0|2,0,0]=4 1512 B9R1.11 OCC(=O)N1CCCC1 1P01ABJE [1,1,0,0,0,0|2,0,0]=4 1513 B9R1.11 OCC(C1CCCN1)O 1P028IUX [1,1,0,0,0,0|0,0,2]=4 1514 B9R1.11 ON=C(C1CCCO1)N 1P01BFVC [1,1,0,0,0,0|2,0,0]=4 1515 B9R1.11 ONC(=N)C1CCCC1 1P005SQH [1,1,0,0,0,0|2,0,0]=4 1516 B9R1.11 ONC(=O)C1CCCC1 1P01AHDY [1,1,0,0,0,0|1,0,0]=3 1517 B9R1.11 ONC(=O)C1CCCN1 1P01BGWG [1,1,0,0,0,0|0,0,0]=2 1518 B9R1.11 O\N=C(\C1CCCC1)/N 1P01FN03 [1,1,0,0,0,0|2,0,0]=4 1519 B9R1.19 CC(C1CCCN1)(O)C 1P00BKHF [1,1,0,0,0,0|1,0,1]=4 1520 B9R1.19 CC(C1CCCN1)(O)C 1P01DIQD [1,1,0,0,0,0|1,0,1]=4 1521 B9R1.19 CC([C@@H]1CCCN1)(O)C 1P003C5I [1,1,0,0,0,0|1,0,1]=4 1522 B9R1.19 CC([C@H]1CCCN1)(O)C 1P0032SW [1,1,0,0,0,0|1,0,1]=4 1523 B9R1.19 CC([C@H]1CCCN1)(O)C 1P0039YR [1,1,0,0,0,0|1,0,1]=4 1524 B9R1.19 CP(=O)(C1CCCN1)C 1P028NTC [1,1,0,0,0,0|2,0,0]=4 1525 B9R1.41 CC(=O)C1CCCC1=O 1P003GS4 [1,1,0,0,0,0|2,0,0]=4 1526 B9R1.41 CC([C@@H]1CCCN1C)O 1P00CGYG [1,1,0,0,0,0|1,0,1]=4 1527 B9R1.41 CC1=C(CCC1)C(=O)O 1P005QP8 [1,1,0,0,0,0|1,0,1]=4 1528 B9R1.41 CC1CCCC1C(=O)O 1P00DC0Z [1,1,0,0,0,0|1,0,0]=3 1529 B9R1.41 CC1CCNC1C(=O)N 1P01ACSF [1,1,0,0,0,0|1,0,0]=3 1530 B9R1.41 CC1CCNC1C(=O)O 1P01ACYG [1,1,0,0,0,0|0,0,0]=2 1531 B9R1.41 CC1CCSC1C(=O)O 1P01FJHO [1,1,0,0,0,0|1,0,0]=3 1532 B9R1.41 CC1CNCC1C(=O)O 1P00IFPF [1,1,0,0,0,0|2,0,0]=4 1533 B9R1.41 CC1NCCC1C(=O)O 1P01B9EQ [1,1,0,0,0,0|2,0,0]=4 1534 B9R1.41 CC1OCCC1C(=O)O 1P019YUS [1,1,0,0,0,0|2,0,0]=4 1535 B9R1.41 CN1CC=CC1C(=O)O 1P00J2DU [1,1,0,0,0,0|0,0,2]=4 1536 B9R1.41 CN1CCCC1C(=O)N 1P01F9VV [1,1,0,0,0,0|1,0,0]=3 1537 B9R1.41 CN1CCCC1C(=O)O 1P0031J0 [1,1,0,0,0,0|0,0,0]=2 1538 B9R1.41 CN1CCCC1C(=O)O 1P00FBW6 [1,1,0,0,0,0|0,0,0]=2 1539 B9R1.41 CN1CCC[C@@H]1C(=O)N 1P022323 [1,1,0,0,0,0|1,0,0]=3 1540 B9R1.41 CN1CCC[C@@H]1C(=O)N 1P027XUW [1,1,0,0,0,0|1,0,0]=3 1541 B9R1.41 CN1CCC[C@@H]1C(=O)O 1P00165T [1,1,0,0,0,0|0,0,0]=2 1542 B9R1.41 CN1CCC[C@@H]1C(=O)O 1P003TOA [1,1,0,0,0,0|0,0,0]=2 1543 B9R1.41 CN1CCC[C@@H]1C(=O)O 1P00EKNA [1,1,0,0,0,0|0,0,0]=2 1544 B9R1.41 CN1CCC[C@H]1C(=O)N 1P01JJ2E [1,1,0,0,0,0|1,0,0]=3 1545 B9R1.41 CN1CCC[C@H]1C(=O)O 1P002CWB [1,1,0,0,0,0|0,0,0]=2 1546 B9R1.41 CN1CCC[C@H]1C(=O)O 1P003TOJ [1,1,0,0,0,0|0,0,0]=2 1547 B9R1.41 CN1CCC[C@H]1C(=O)O 1P00J2FD [1,1,0,0,0,0|0,0,0]=2 1548 B9R1.41 CN1CSCC1C(=O)O 1P024VSE [1,1,0,0,0,0|1,0,0]=3 1549 B9R1.41 CN1CSC[C@@H]1C(=O)O 1P00848L [1,1,0,0,0,0|1,0,0]=3 1550 B9R1.41 CN1CSC[C@H]1C(=O)O 1P00EEHV [1,1,0,0,0,0|1,0,0]=3 1551 B9R1.41 CN1CSC[C@H]1C(=O)O 1P00J2NQ [1,1,0,0,0,0|1,0,0]=3 1552 B9R1.41 C[C@@H]([C@@H]1CCCN1C)O 1P01JWLL [1,1,0,0,0,0|1,0,1]=4 1553 B9R1.41 C[C@@H]1CCO[C@@H]1C(=O)O 1P01AV63 [1,1,0,0,0,0|1,0,0]=3 1554 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O 1P01C684 [1,1,0,0,0,0|2,0,0]=4 1555 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O 1P00IBDN [1,1,0,0,0,0|2,0,0]=4 1556 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O 1P0085TL [1,1,0,0,0,0|0,0,0]=2 1557 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O 1P01JUUK [1,1,0,0,0,0|2,0,0]=4 1558 B9R1.41 FC1CCNC1C(=O)O 1P01A3G9 [1,1,0,0,0,0|0,0,0]=2 1559 B9R1.41 FC1CCOC1C(=O)O 1P0286FO [1,1,0,0,0,0|1,0,0]=3 1560 B9R1.41 F[C@@H]1CCN[C@H]1C(=O)O 1P028KQ9 [1,1,0,0,0,0|0,0,0]=2 1561 B9R1.41 F[C@H]1CCN[C@@H]1C(=O)O 1P01JULF [1,1,0,0,0,0|0,0,0]=2 1562 B9R1.41 F[C@H]1CCN[C@H]1C(=O)O 1P01JUL1 [1,1,0,0,0,0|0,0,0]=2 1563 B9R1.41 NC(=O)C1CCCC1=O 1P01E0BW [1,1,0,0,0,0|2,0,0]=4 1564 B9R1.41 NC1CCCC1C(=O)N 1P00BP8U [1,1,0,0,0,0|2,0,0]=4 1565 B9R1.41 NC1CCCC1C(=O)O 1P000Q69 [1,1,0,0,0,0|1,0,0]=3 1566 B9R1.41 NN1CCC[C@@H]1C(=O)O 1P0004UD [1,1,0,0,0,0|0,0,0]=2 1567 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O 1P000Y63 [1,1,0,0,0,0|1,0,0]=3 1568 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O 1P019E17 [1,1,0,0,0,0|1,0,0]=3 1569 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 1P001QMO [1,1,0,0,0,0|1,0,0]=3 1570 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)N 1P028G69 [1,1,0,0,0,0|2,0,0]=4 1571 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O 1P0289XM [1,1,0,0,0,0|1,0,0]=3 1572 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 1P0039JU [1,1,0,0,0,0|1,0,0]=3 1573 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 1P00ECRB [1,1,0,0,0,0|1,0,0]=3 1574 B9R1.41 N[C@H]1CCC[C@H]1C(=O)N 1P01JJ29 [1,1,0,0,0,0|2,0,0]=4 1575 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 1P00182K [1,1,0,0,0,0|1,0,0]=3 1576 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 1P00ACEC [1,1,0,0,0,0|1,0,0]=3 1577 B9R1.41 N[C@H]1CNC[C@@H]1C(=O)O 1P028RT3 [1,1,0,0,0,0|2,0,0]=4 1578 B9R1.41 OC(=O)C1CCNC1=O 1P00IKC5 [1,1,0,0,0,0|2,0,0]=4 1579 B9R1.41 OC(=O)C1CNCC1F 1P01FIX0 [1,1,0,0,0,0|2,0,0]=4 1580 B9R1.41 OC(=O)[C@@H]1CNC[C@H]1F 1P028R1X [1,1,0,0,0,0|2,0,0]=4 1581 B9R1.41 OC1CCCC1C(=O)O 1P01AL3N [1,1,0,0,0,0|1,0,0]=3 1582 B9R1.41 OC1CCNC1C(=O)O 1P00EZ92 [1,1,0,0,0,0|0,0,0]=2 1583 B9R1.41 OC1CNCC1C(=O)O 1P00I0BD [1,1,0,0,0,0|2,0,0]=4 1584 B9R1.41 OC1COCC1C(=O)O 1P028X9V [1,1,0,0,0,0|2,0,0]=4 1585 B9R1.41 O[C@@H]1CCC[C@@H]1C(=O)O 1P01FLSN [1,1,0,0,0,0|1,0,0]=3 1586 B9R1.41 O[C@@H]1CCC[C@H]1C(=O)O 1P002HAD [1,1,0,0,0,0|1,0,0]=3 1587 B9R1.41 O[C@@H]1CCN[C@@H]1C(=O)O 1P00ECSY [1,1,0,0,0,0|0,0,0]=2 1588 B9R1.41 O[C@@H]1CCN[C@@H]1C(=O)O 1P01JVFB [1,1,0,0,0,0|0,0,0]=2 1589 B9R1.41 O[C@@H]1CCN[C@H]1C(=O)O 1P000PW4 [1,1,0,0,0,0|0,0,0]=2 1590 B9R1.41 O[C@@H]1CNC[C@H]1C(=O)O 1P027UI9 [1,1,0,0,0,0|2,0,0]=4 1591 B9R1.41 O[C@H]1CCC[C@@H]1C(=O)O 1P0200WK [1,1,0,0,0,0|1,0,0]=3 1592 B9R1.41 O[C@H]1CCC[C@H]1C(=O)O 1P0020L2 [1,1,0,0,0,0|1,0,0]=3 1593 B9R1.41 O[C@H]1CCN[C@@H]1C(=O)O 1P0039JX [1,1,0,0,0,0|0,0,0]=2 1594 B9R1.41 O[C@H]1CCN[C@H]1C(=O)O 1P0026T1 [1,1,0,0,0,0|0,0,0]=2 1595 B9R1.41 O[C@H]1CCN[C@H]1C(=O)O 1P00935N [1,1,0,0,0,0|0,0,0]=2 1596 B9R1.41 O[C@H]1CCN[C@H]1C(=O)O 1P00DIGA [1,1,0,0,0,0|0,0,0]=2 1597 B9R1.41 SC1CCCC1C(=O)O 1P007UL0 [1,1,0,0,0,0|1,0,0]=3 1598 B9R1.163 CC(=O)C1(C)CCCC1 1P0080OC [1,1,0,0,0,0|2,0,0]=4 1599 B9R1.163 CC(=O)C1(C)CCCO1 1P01BG4E [1,1,0,0,0,0|2,0,0]=4 1600 B9R1.163 CC(=O)C1(Cl)CCCC1 1P028W24 [1,1,0,0,0,0|2,0,0]=4 1601 B9R1.163 CC(=O)C1(N)CCCC1 1P028JK3 [1,1,0,0,0,0|2,0,0]=4 1602 B9R1.163 CC(=O)C1(O)CCCC1 1P00APLL [1,1,0,0,0,0|2,0,0]=4 1603 B9R1.163 CC([C@]1(C)CCCN1)O 1P028JK0 [1,1,0,0,0,0|1,0,1]=4 1604 B9R1.163 CC1(CCC=C1)C(=O)O 1P01AC1R [1,1,0,0,0,0|1,0,1]=4 1605 B9R1.163 CC1(NCC=C1)C(=O)O 1P02882V [1,1,0,0,0,0|0,0,2]=4 1606 B9R1.163 ClC(=O)C1(Br)CCCC1 1P01ACSM [1,1,0,0,0,0|2,0,0]=4 1607 B9R1.163 ClC(=O)C1(C)CCCC1 1P002D3K [1,1,0,0,0,0|2,0,0]=4 1608 B9R1.163 NC(=O)C1(N)CCCC1 1P00I061 [1,1,0,0,0,0|2,0,0]=4 1609 B9R1.163 NC(=O)C1(O)CCCC1 1P01C2X0 [1,1,0,0,0,0|2,0,0]=4 1610 B9R1.163 NC(=O)[C@]1(C)CCCN1 1P0010VJ [1,1,0,0,0,0|1,0,0]=3 1611 B9R1.163 NC(=O)[C@]1(C)CCCN1 1P01EJJ6 [1,1,0,0,0,0|1,0,0]=3 1612 B9R1.163 OC(=O)C1(Br)CCCC1 1P019YUI [1,1,0,0,0,0|1,0,0]=3 1613 B9R1.163 OC(=O)C1(C)CCCN1 1P00J2T3 [1,1,0,0,0,0|0,0,0]=2 1614 B9R1.163 OC(=O)C1(C)CCCO1 1P003I7E [1,1,0,0,0,0|1,0,0]=3 1615 B9R1.163 OC(=O)C1(C)CCCS1 1P019SZF [1,1,0,0,0,0|1,0,0]=3 1616 B9R1.163 OC(=O)C1(C)CNCC1 1P004C2F [1,1,0,0,0,0|2,0,0]=4 1617 B9R1.163 OC(=O)C1(C)CNCC1 1P019ZV2 [1,1,0,0,0,0|2,0,0]=4 1618 B9R1.163 OC(=O)C1(C)COCC1 1P000HHE [1,1,0,0,0,0|2,0,0]=4 1619 B9R1.163 OC(=O)C1(F)CCCC1 1P001OLT [1,1,0,0,0,0|1,0,0]=3 1620 B9R1.163 OC(=O)C1(F)CNCC1 1P000K3D [1,1,0,0,0,0|2,0,0]=4 1621 B9R1.163 OC(=O)C1(F)CNCC1 1P01KJO6 [1,1,0,0,0,0|2,0,0]=4 1622 B9R1.163 OC(=O)C1(F)COCC1 1P01BGA5 [1,1,0,0,0,0|2,0,0]=4 1623 B9R1.163 OC(=O)C1(N)CCCC1 1P00354G [1,1,0,0,0,0|1,0,0]=3 1624 B9R1.163 OC(=O)C1(N)CNCC1 1P008MRQ [1,1,0,0,0,0|2,0,0]=4 1625 B9R1.163 OC(=O)C1(N)COCC1 1P000NT7 [1,1,0,0,0,0|2,0,0]=4 1626 B9R1.163 OC(=O)C1(N)COCC1 1P00692S [1,1,0,0,0,0|2,0,0]=4 1627 B9R1.163 OC(=O)C1(N)CSCC1 1P007H07 [1,1,0,0,0,0|2,0,0]=4 1628 B9R1.163 OC(=O)C1(O)CCCC1 1P001YIZ [1,1,0,0,0,0|1,0,0]=3 1629 B9R1.163 OC(=O)C1(O)CNCC1 1P00GGKQ [1,1,0,0,0,0|2,0,0]=4 1630 B9R1.163 OC(=O)C1(O)CNCC1 1P01C5W7 [1,1,0,0,0,0|2,0,0]=4 1631 B9R1.163 OC(=O)C1(O)COCC1 1P01AEQ9 [1,1,0,0,0,0|2,0,0]=4 1632 B9R1.163 OC(=O)C1(O)CSCC1 1P01A41Y [1,1,0,0,0,0|2,0,0]=4 1633 B9R1.163 OC(=O)[C@@]1(C)CCCN1 1P000KH5 [1,1,0,0,0,0|0,0,0]=2 1634 B9R1.163 OC(=O)[C@@]1(C)CCCN1 1P00E91S [1,1,0,0,0,0|0,0,0]=2 1635 B9R1.163 OC(=O)[C@@]1(C)CCCO1 1P01HS9N [1,1,0,0,0,0|1,0,0]=3 1636 B9R1.163 OC(=O)[C@@]1(C)CNCC1 1P001GAV [1,1,0,0,0,0|2,0,0]=4 1637 B9R1.163 OC(=O)[C@@]1(N)COCC1 1P01DL2L [1,1,0,0,0,0|2,0,0]=4 1638 B9R1.163 OC(=O)[C@]1(C)CCCN1 1P001NC4 [1,1,0,0,0,0|0,0,0]=2 1639 B9R1.163 OC(=O)[C@]1(C)CCCN1 1P001TVX [1,1,0,0,0,0|0,0,0]=2 1640 B9R1.163 OC(=O)[C@]1(C)CCCO1 1P01GMXJ [1,1,0,0,0,0|1,0,0]=3 1641 B9R1.163 OC(=O)[C@]1(C)CNCC1 1P009KGH [1,1,0,0,0,0|2,0,0]=4 1642 B9R1.163 OC(=O)[C@]1(N)COCC1 1P00HT0K [1,1,0,0,0,0|2,0,0]=4 1643 B9R1.51 OC1CC(C1)S(=O)(=N)C 1P0281JO [0,1,0,0,1,0|2,0,0]=4 1644 B9R1.51 OC1CC(C1)S(=O)(=O)C 1P01AVEB [0,1,0,0,1,0|1,0,1]=4 1645 B9R1.51 O[C@@H]1C[C@@H](C1)S(=O)(=N)C 1P0281KW [0,1,0,0,1,0|2,0,0]=4 1646 B9R1.51 O[C@@H]1C[C@@H](C1)S(=O)(=O)C 1P01BU74 [0,1,0,0,1,0|1,0,1]=4 1647 B9R1.51 O[C@@H]1C[C@H](C1)S(=O)(=N)C 1P0280S2 [0,1,0,0,1,0|2,0,0]=4 1648 B9R1.51 O[C@@H]1C[C@H](C1)S(=O)(=O)C 1P023ZT2 [0,1,0,0,1,0|1,0,1]=4 1649 B9R1.82 CNC(=O)C1CC(C1)O 1P0092XZ [0,1,0,0,1,0|1,0,0]=3 1650 B9R1.82 COC(=O)C1CC(=C)C1 1P001RPF [0,1,0,0,1,0|1,0,1]=4 1651 B9R1.82 COC(=O)C1CC(=O)C1 1P0036H0 [0,1,0,0,1,0|0,0,2]=4 1652 B9R1.82 COC(=O)C1CC(C1)Br 1P00DLSE [0,1,0,0,1,0|1,0,0]=3 1653 B9R1.82 COC(=O)C1CC(C1)C 1P00HY5Q [0,1,0,0,1,0|1,0,0]=3 1654 B9R1.82 COC(=O)C1CC(C1)Cl 1P001RPE [0,1,0,0,1,0|1,0,0]=3 1655 B9R1.82 COC(=O)C1CC(C1)F 1P01EGTN [0,1,0,0,1,0|1,0,0]=3 1656 B9R1.82 COC(=O)C1CC(C1)I 1P01K7BF [0,1,0,0,1,0|1,0,0]=3 1657 B9R1.82 COC(=O)C1CC(C1)N 1P0035N9 [0,1,0,0,1,0|1,0,0]=3 1658 B9R1.82 COC(=O)C1CC(C1)O 1P0038AV [0,1,0,0,1,0|0,0,0]=2 1659 B9R1.82 COC(=O)C1CC(N1)C 1P028N1D [0,1,0,0,1,0|1,0,0]=3 1660 B9R1.82 COC(=O)N1CC(C1)N 1P00BCOE [0,1,0,0,1,0|2,0,0]=4 1661 B9R1.82 COC(=O)N1CC(C1)N 1P01B1LU [0,1,0,0,1,0|2,0,0]=4 1662 B9R1.82 COC(=O)N1CC(C1)O 1P00ILQG [0,1,0,0,1,0|1,0,0]=3 1663 B9R1.82 COC(=O)[C@@H]1CC(=O)N1 1P0001ML [0,1,0,0,1,0|0,0,2]=4 1664 B9R1.82 COC(=O)[C@@H]1C[C@@H](C1)Br 1P00HZIQ [0,1,0,0,1,0|1,0,0]=3 1665 B9R1.82 COC(=O)[C@@H]1C[C@@H](C1)Cl 1P01C35O [0,1,0,0,1,0|1,0,0]=3 1666 B9R1.82 COC(=O)[C@@H]1C[C@@H](C1)N 1P003A7U [0,1,0,0,1,0|1,0,0]=3 1667 B9R1.82 COC(=O)[C@@H]1C[C@@H](C1)O 1P00EGRO [0,1,0,0,1,0|0,0,0]=2 1668 B9R1.82 COC(=O)[C@@H]1C[C@H](C1)Br 1P00HYI8 [0,1,0,0,1,0|1,0,0]=3 1669 B9R1.82 COC(=O)[C@@H]1C[C@H](C1)N 1P003A7K [0,1,0,0,1,0|1,0,0]=3 1670 B9R1.82 COC(=O)[C@@H]1C[C@H](C1)N 1P00GA6X [0,1,0,0,1,0|1,0,0]=3 1671 B9R1.82 COC(=O)[C@@H]1C[C@H](C1)O 1P00EIUX [0,1,0,0,1,0|0,0,0]=2 1672 B9R1.82 ClCC(=O)N1CC(C1)O 1P01JKUA [0,1,0,0,1,0|2,0,0]=4 1673 B9R1.82 Cl[C@@H]1C[C@H](C1)C(=NO)N 1P027ZFU [0,1,0,0,1,0|2,0,0]=4 1674 B9R1.82 NC1CC(C1)C(=NO)N 1P027XG8 [0,1,0,0,1,0|2,0,0]=4 1675 B9R1.95 BrCC1CC(C1)C(=O)O 1P00856Q [0,1,0,0,1,0|1,0,0]=3 1676 B9R1.95 C#C[C@@H]1C[C@@H](C1)C(=O)C 1P00CU52 [0,1,0,0,1,0|2,0,0]=4 1677 B9R1.95 CCC1CC(C1)C(=O)O 1P00FGGE [0,1,0,0,1,0|1,0,0]=3 1678 B9R1.95 CN[C@@H]1C[C@@H](C1)C(=O)N 1P01BY0N [0,1,0,0,1,0|2,0,0]=4 1679 B9R1.95 CN[C@@H]1C[C@@H](C1)C(=O)O 1P01BW6H [0,1,0,0,1,0|1,0,0]=3 1680 B9R1.95 COC1CC(C1)C(=O)C 1P01EK9O [0,1,0,0,1,0|1,0,0]=3 1681 B9R1.95 COC1CC(C1)C(=O)O 1P00DG9X [0,1,0,0,1,0|0,0,0]=2 1682 B9R1.95 COC1CN(C1)C(=O)Cl 1P01EN29 [0,1,0,0,1,0|2,0,0]=4 1683 B9R1.95 CO[C@@H]1C[C@@H](C1)C(=O)O 1P00E8V0 [0,1,0,0,1,0|0,0,0]=2 1684 B9R1.95 CO[C@@H]1C[C@H](C1)C(=O)O 1P001DBH [0,1,0,0,1,0|0,0,0]=2 1685 B9R1.95 CSC1CC(C1)C(=O)O 1P027NSH [0,1,0,0,1,0|0,1,0]=3 1686 B9R1.95 CS[C@@H]1C[C@@H](C1)C(=O)O 1P028AOW [0,1,0,0,1,0|0,1,0]=3 1687 B9R1.95 CS[C@@H]1C[C@H](C1)C(=O)O 1P028SFQ [0,1,0,0,1,0|0,1,0]=3 1688 B9R1.95 FCC1CC(C1)C(=O)O 1P00Q5GM [0,1,0,0,1,0|1,0,0]=3 1689 B9R1.95 FC[C@@H]1C[C@H](C1)C(=O)O 1P0289PT [0,1,0,0,1,0|1,0,0]=3 1690 B9R1.95 N#CC1CC(C1)C(=O)O 1P00I1SO [0,1,0,0,1,0|1,0,0]=3 1691 B9R1.95 N#C[C@@H]1C[C@@H](C1)C(=O)O 1P028VQS [0,1,0,0,1,0|1,0,0]=3 1692 B9R1.95 N#C[C@@H]1C[C@H](C1)C(=O)O 1P027S0Z [0,1,0,0,1,0|1,0,0]=3 1693 B9R1.95 NCC1CC(C1)C(=O)O 1P0023NM [0,1,0,0,1,0|1,0,0]=3 1694 B9R1.95 NC[C@@H]1C[C@@H](C1)C(=O)O 1P01JUV9 [0,1,0,0,1,0|1,0,0]=3 1695 B9R1.95 NC[C@@H]1C[C@H](C1)C(=O)O 1P0289JE [0,1,0,0,1,0|1,0,0]=3 1696 B9R1.95 O=NN1CC(C1)C(=O)O 1P00K44O [0,1,0,0,1,0|1,0,1]=4 1697 B9R1.95 OCC1CN(C1)C(=O)C 1P00HWSN [0,1,0,0,1,0|2,0,0]=4 1698 B9R1.152 CC1CC(C1)(C)C(=O)O 1P01DX53 [0,1,0,0,1,0|1,0,0]=3 1699 B9R1.152 CC1CC(C1)(N)C(=O)O 1P01BJJQ [0,1,0,0,1,0|1,0,0]=3 1700 B9R1.152 C[C@@H]1C[C@@](C1)(N)C(=O)O 1P01XAK3 [0,1,0,0,1,0|1,0,0]=3 1701 B9R1.152 C[C@@H]1C[C@](C1)(N)C(=O)O 1P00AM5Y [0,1,0,0,1,0|1,0,0]=3 1702 B9R1.152 FC1CC(C1)(C)C(=O)O 1P01FJD3 [0,1,0,0,1,0|1,0,0]=3 1703 B9R1.152 FC1CC(C1)(F)C(=O)O 1P01KA7E [0,1,0,0,1,0|1,0,0]=3 1704 B9R1.152 FC1CC(C1)(N)C(=O)O 1P00HAIN [0,1,0,0,1,0|1,0,0]=3 1705 B9R1.152 FC1CC(C1)(N)C(=O)O 1P01BRXF [0,1,0,0,1,0|1,0,0]=3 1706 B9R1.152 F[C@@H]1C[C@@](C1)(N)C(=O)O 1P00IH8K [0,1,0,0,1,0|1,0,0]=3 1707 B9R1.152 F[C@@H]1C[C@](C1)(N)C(=O)O 1P01C0S9 [0,1,0,0,1,0|1,0,0]=3 1708 B9R1.152 NC1CC(C1)(C)C(=O)N 1P028RIE [0,1,0,0,1,0|2,0,0]=4 1709 B9R1.152 NC1CC(C1)(C)C(=O)O 1P01FIX1 [0,1,0,0,1,0|1,0,0]=3 1710 B9R1.152 NC1CC(C1)(F)C(=O)O 1P028TQ0 [0,1,0,0,1,0|1,0,0]=3 1711 B9R1.152 NC1CC(C1)(O)C(=O)O 1P028CA1 [0,1,0,0,1,0|1,0,0]=3 1712 B9R1.152 N[C@@H]1C[C@](C1)(C)C(=O)O 1P001U6U [0,1,0,0,1,0|1,0,0]=3 1713 B9R1.152 O=C1CC(C1)(C)C(=O)O 1P002WEW [0,1,0,0,1,0|0,0,2]=4 1714 B9R1.152 O=C1CC(C1)(N)C(=O)O 1P028HXS [0,1,0,0,1,0|0,0,2]=4 1715 B9R1.152 OC(=O)C1(C)CC(=C)C1 1P002WEX [0,1,0,0,1,0|1,0,1]=4 1716 B9R1.152 OC(=O)C1(N)CC(=C)C1 1P028TM0 [0,1,0,0,1,0|1,0,1]=4 1717 B9R1.152 OC(=O)C1(O)CC(=C)C1 1P01JV9L [0,1,0,0,1,0|1,0,1]=4 1718 B9R1.152 OC1CC(C1)(N)C(=O)O 1P000N2W [0,1,0,0,1,0|0,0,0]=2 1719 B9R1.152 OC1CC(C1)(N)C(=O)O 1P009BMF [0,1,0,0,1,0|0,0,0]=2 1720 B9R1.152 O[C@@H]1C[C@@](C1)(N)C(=O)N 1P01FI4S [0,1,0,0,1,0|1,0,0]=3 1721 B9R1.152 O[C@@H]1C[C@@](C1)(O)C(=O)O 1P01JVNE [0,1,0,0,1,0|0,0,0]=2 1722 B9R1.152 O[C@@H]1C[C@](C1)(F)C(=O)O 1P01KX5S [0,1,0,0,1,0|0,0,0]=2 1723 B9R1.152 O[C@@H]1C[C@](C1)(O)C(=O)O 1P01XADC [0,1,0,0,1,0|0,0,0]=2 1724 B9R1.164 CC(=O)C1CC(C1)(C)C 1P018I1Z [0,1,0,0,1,0|2,0,0]=4 1725 B9R1.164 CC(=O)C1CC(C1)(F)F 1P001T8N [0,1,0,0,1,0|2,0,0]=4 1726 B9R1.164 ClC(=O)C1CC(C1)(F)F 1P01C10V [0,1,0,0,1,0|2,0,0]=4 1727 B9R1.164 NC(=O)C1CC(C1)(F)F 1P00IENZ [0,1,0,0,1,0|2,0,0]=4 1728 B9R1.164 OC(=O)C1CC(C1)(Br)Br 1P028GCL [0,1,0,0,1,0|1,0,0]=3 1729 B9R1.164 OC(=O)C1CC(C1)(C)C 1P0038ID [0,1,0,0,1,0|1,0,0]=3 1730 B9R1.164 OC(=O)C1CC(C1)(C)F 1P001STI [0,1,0,0,1,0|1,0,0]=3 1731 B9R1.164 OC(=O)C1CC(C1)(C)O 1P001TYR [0,1,0,0,1,0|0,0,0]=2 1732 B9R1.164 OC(=O)C1CC(C1)(C)O 1P01K8G5 [0,1,0,0,1,0|0,0,0]=2 1733 B9R1.164 OC(=O)C1CC(C1)(Cl)Cl 1P00GRTM [0,1,0,0,1,0|1,0,0]=3 1734 B9R1.164 OC(=O)C1CC(C1)(F)F 1P008U6K [0,1,0,0,1,0|1,0,0]=3 1735 B9R1.164 OC(=O)C1CP(=O)(C1)O 1P01BTZN [0,1,0,0,1,0|1,0,0]=3 1736 B9R1.164 OC(=O)C1CS(=O)(=O)C1 1P000WBY [0,1,0,0,1,0|1,0,1]=4 1737 B9R1.164 OC(=O)[C@@H]1C[C@@](C1)(C)F 1P001DLA [0,1,0,0,1,0|1,0,0]=3 1738 B9R1.164 OC(=O)[C@@H]1C[C@@](C1)(C)O 1P00AAYZ [0,1,0,0,1,0|0,0,0]=2 1739 B9R1.164 OC(=O)[C@@H]1C[C@](C1)(C)O 1P0019QF [0,1,0,0,1,0|0,0,0]=2 1740 B9R1.52 C[C@@H]1CN([C@@H]1C(=O)O)C 1P024TQO [0,1,0,0,1,0|1,0,0]=3 1741 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N 1P0022SB [0,1,0,0,1,0|2,0,0]=4 1742 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N 1P00HBE2 [0,1,0,0,1,0|2,0,0]=4 1743 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N 1P028RTS [0,1,0,0,1,0|2,0,0]=4 1744 B9R1.96 C=C[C@@H]1CC[C@H]1C(=O)O 1P0289DM [0,1,0,0,1,0|2,0,0]=4 1745 B9R1.96 CCC1CCC1C(=O)O 1P01DXWD [0,1,0,0,1,0|2,0,0]=4 1746 B9R1.96 FC[C@@H]1CC[C@H]1C(=O)O 1P028HEX [0,1,0,0,1,0|2,0,0]=4 1747 B9R1.96 N#CC1CCC1C(=O)O 1P001NCQ [0,1,0,0,1,0|2,0,0]=4 1748 B9R1.96 N#C[C@@H]1CC[C@H]1C(=O)O 1P027U88 [0,1,0,0,1,0|2,0,0]=4 1749 B9R1.96 OCC1CCC1C(=O)O 1P022365 [0,1,0,0,1,0|1,0,0]=3 1750 B9R1.166 OC(=O)C1CCC1(C)C 1P01A2E9 [0,1,0,0,1,0|2,0,0]=4 1751 B9R1.166 OC(=O)C1CCC1(F)F 1P00HDEI [0,1,0,0,1,0|2,0,0]=4 1752 B9R1.166 OC(=O)C1NCC1(C)C 1P01C0IV [0,1,0,0,1,0|1,0,0]=3 1753 B9R1.166 OC(=O)C1NCC1(F)F 1P028BZQ [0,1,0,0,1,0|1,0,0]=3 1754 B9R1.166 OC(=O)C1OCC1(C)C 1P028PS1 [0,1,0,0,1,0|2,0,0]=4 1755 B9R1.166 OC(=O)[C@@H]1NCC1(C)C 1P01JURD [0,1,0,0,1,0|1,0,0]=3 1756 B9R1.166 OC(=O)[C@H]1NCC1(C)C 1P00ILKZ [0,1,0,0,1,0|1,0,0]=3 1757 B11R1.3 C#C[C@@H]1CC[C@H](CC1)C(=O)O 1P004F9U [0,1,0,0,0,1|2,0,0]=4 1758 B11R1.3 CCC1CCC(CC1)C(=O)O 1P00GTBX [0,1,0,0,0,1|2,0,0]=4 1759 B11R1.3 CCC1CCC(CN1)C(=O)O 1P027XQK [0,1,0,0,0,1|2,0,0]=4 1760 B11R1.3 CCC1CCC(NC1)C(=O)O 1P028FSJ [0,1,0,0,0,1|1,0,0]=3 1761 B11R1.3 CC[C@@H]1CC[C@H](CC1)C(=O)O 1P003VEN [0,1,0,0,0,1|2,0,0]=4 1762 B11R1.3 CN[C@@H]1CC[C@@H](CC1)C(=O)O 1P01JUH7 [0,1,0,0,0,1|2,0,0]=4 1763 B11R1.3 CN[C@@H]1CC[C@H](CC1)C(=O)O 1P020JG2 [0,1,0,0,0,1|2,0,0]=4 1764 B11R1.3 COC1CCC(=CC1)C(=O)O 1P0202C3 [0,1,0,0,0,1|1,0,1]=4 1765 B11R1.3 COC1CCC(CC1)C(=O)C 1P0292IZ [0,1,0,0,0,1|2,0,0]=4 1766 B11R1.3 COC1CCC(CC1)C(=O)Cl 1P007ROB [0,1,0,0,0,1|2,0,0]=4 1767 B11R1.3 COC1CCC(CC1)C(=O)O 1P003M4C [0,1,0,0,0,1|1,0,0]=3 1768 B11R1.3 CON1CCC(CC1)C(=O)O 1P01C5H1 [0,1,0,0,0,1|2,0,0]=4 1769 B11R1.3 CO[C@@H]1CC[C@@H](CC1)C(=O)O 1P00ICX2 [0,1,0,0,0,1|1,0,0]=3 1770 B11R1.3 CO[C@@H]1CC[C@H](CC1)C(=O)O 1P005B2A [0,1,0,0,0,1|1,0,0]=3 1771 B11R1.3 N#CC1CCC(CC1)C(=O)O 1P00DRWQ [0,1,0,0,0,1|2,0,0]=4 1772 B11R1.3 N#C[C@@H]1CC[C@H](CC1)C(=O)O 1P007XAO [0,1,0,0,0,1|2,0,0]=4 1773 B11R1.3 NCC1CCC(CC1)C(=O)O 1P003KMH [0,1,0,0,0,1|2,0,0]=4 1774 B11R1.3 NCC1CCC(CO1)C(=O)O 1P028BXU [0,1,0,0,0,1|2,0,0]=4 1775 B11R1.3 NC[C@@H]1CC[C@@H](CC1)C(=O)O 1P000PXO [0,1,0,0,0,1|2,0,0]=4 1776 B11R1.3 NC[C@@H]1CC[C@H](CC1)C(=O)O 1P000PXN [0,1,0,0,0,1|2,0,0]=4 1777 B11R1.3 NC[C@H]1OC[C@@H](OC1)C(=O)O 1P0285Q1 [0,1,0,0,0,1|2,0,0]=4 1778 B11R1.3 O=C[C@@H]1CC[C@H](CC1)C(=O)O 1P023PY9 [0,1,0,0,0,1|1,0,1]=4 1779 B11R1.3 O=[C@]([C@H]1CC[C@@H](CN)CC1)O 1P01FX6I [0,1,0,0,0,1|2,0,0]=4 1780 B11R1.3 OCC1CCC(CC1)C(=O)O 1P003KPA [0,1,0,0,0,1|1,0,0]=3 1781 B11R1.3 OC[C@@H]1CC[C@@H](CC1)C(=O)O 1P003PFM [0,1,0,0,0,1|1,0,0]=3 1782 B11R1.3 OC[C@@H]1CC[C@H](CC1)C(=O)O 1P003VEA [0,1,0,0,0,1|1,0,0]=3 1783 B11R1.3 [15NH2][13CH2][C@@H]1CC[C@H](CC1)[13C](=O)O 1P01LJG3 [0,1,0,0,0,1|2,0,0]=4 1784 B11R1.21 CC1CCC(CC1C)C(=O)O 1P00FNBO [0,1,0,0,0,1|2,0,0]=4 1785 B11R1.21 CC1CCC(CC1N)C(=O)O 1P01BU0P [0,1,0,0,0,1|2,0,0]=4 1786 B11R1.21 CC1CCC(NC1C)C(=O)O 1P01C4CS [0,1,0,0,0,1|1,0,0]=3 1787 B11R1.21 CC1CNC(CC1C)C(=O)O 1P0286QG [0,1,0,0,0,1|1,0,0]=3 1788 B11R1.21 CC1NCC(CC1C)C(=O)O 1P028UG3 [0,1,0,0,0,1|2,0,0]=4 1789 B11R1.21 C[C@@H]1CN[C@@H](C[C@@H]1C)C(=O)O 1P028I1V [0,1,0,0,0,1|1,0,0]=3 1790 B11R1.21 OC(=O)C1COC(C(N1)C)C 1P01C3LA [0,1,0,0,0,1|1,0,0]=3 1791 B11R1.21 OC(=O)C1NCC(=O)N(C1)C 1P01FIWC [0,1,0,0,0,1|0,0,2]=4 1792 B11R1.21 OC1CCC(CC1N)C(=O)O 1P028USW [0,1,0,0,0,1|1,0,0]=3 1793 B11R1.21 O[C@@H]1CO[C@@H](C[C@@H]1O)C(=O)O 1P028LHE [0,1,0,0,0,1|1,0,0]=3 1794 B11R1.21 O[C@@H]1CO[C@H](C[C@@H]1O)C(=O)O 1P028LQ7 [0,1,0,0,0,1|1,0,0]=3 1795 B11R1.22 COC(=O)C1CCC(CC1)Br 1P01E83C [0,1,0,0,0,1|2,0,0]=4 1796 B11R1.22 COC(=O)C1CCC(CC1)N 1P00035K [0,1,0,0,0,1|2,0,0]=4 1797 B11R1.22 COC(=O)C1CCC(CC1)O 1P002060 [0,1,0,0,0,1|1,0,0]=3 1798 B11R1.22 COC(=O)C1CCC(CN1)C 1P01FK2Y [0,1,0,0,0,1|1,0,0]=3 1799 B11R1.22 COC(=O)C1CCC(CN1)F 1P028RMP [0,1,0,0,0,1|1,0,0]=3 1800 B11R1.22 COC(=O)C1CCC(CN1)O 1P028DDO [0,1,0,0,0,1|0,0,0]=2 1801 B11R1.22 COC(=O)C1CCC(NC1)C 1P0003P8 [0,1,0,0,0,1|2,0,0]=4 1802 B11R1.22 COC(=O)C1CCC(NC1)C 1P00IGRL [0,1,0,0,0,1|2,0,0]=4 1803 B11R1.22 COC(=O)C1CNC(=O)CN1 1P018SOP [0,1,0,0,0,1|0,0,2]=4 1804 B11R1.22 COC(=O)C1CNC(CN1)C 1P01C1WK [0,1,0,0,0,1|1,0,0]=3 1805 B11R1.22 COC(=O)N1CCC(CC1)O 1P00GGH8 [0,1,0,0,0,1|2,0,0]=4 1806 B11R1.22 COC(=O)[C@@H]1CC[C@@H](CC1)Br 1P0208KX [0,1,0,0,0,1|2,0,0]=4 1807 B11R1.22 COC(=O)[C@@H]1CC[C@@H](CC1)N 1P00EE4H [0,1,0,0,0,1|2,0,0]=4 1808 B11R1.22 COC(=O)[C@@H]1CC[C@@H](CC1)N 1P00ID2O [0,1,0,0,0,1|2,0,0]=4 1809 B11R1.22 COC(=O)[C@@H]1CC[C@@H](CC1)O 1P003ANZ [0,1,0,0,0,1|1,0,0]=3 1810 B11R1.22 COC(=O)[C@@H]1CC[C@@H](NC1)C 1P0003P5 [0,1,0,0,0,1|2,0,0]=4 1811 B11R1.22 COC(=O)[C@@H]1CC[C@@H](NC1)C 1P01CDBH [0,1,0,0,0,1|2,0,0]=4 1812 B11R1.22 COC(=O)[C@@H]1CC[C@H](CC1)N 1P00EBWV [0,1,0,0,0,1|2,0,0]=4 1813 B11R1.22 COC(=O)[C@@H]1CC[C@H](CC1)N 1P00ED0A [0,1,0,0,0,1|2,0,0]=4 1814 B11R1.22 COC(=O)[C@@H]1CC[C@H](CC1)O 1P00ED9N [0,1,0,0,0,1|1,0,0]=3 1815 B11R1.22 COC(=O)[C@@H]1CC[C@H](CN1)F 1P028PAS [0,1,0,0,0,1|1,0,0]=3 1816 B11R1.22 COC(=O)[C@@H]1CC[C@H](NC1)C 1P0003PZ [0,1,0,0,0,1|2,0,0]=4 1817 B11R1.22 COC(=O)[C@@H]1CC[C@H](NC1)C 1P0003Q0 [0,1,0,0,0,1|2,0,0]=4 1818 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 1P000IQY [0,1,0,0,0,1|0,0,2]=4 1819 B11R1.22 COC(=O)[C@@H]1CN[C@H](CN1)C 1P028SZ5 [0,1,0,0,0,1|1,0,0]=3 1820 B11R1.22 COC(=O)[C@@H]1CO[C@H](CN1)C 1P028QZQ [0,1,0,0,0,1|1,0,0]=3 1821 B11R1.22 COC(=O)[C@H]1CC[C@@H](NC1)C 1P01LQJI [0,1,0,0,0,1|2,0,0]=4 1822 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C 1P0003P6 [0,1,0,0,0,1|2,0,0]=4 1823 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C 1P009COK [0,1,0,0,0,1|2,0,0]=4 1824 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C 1P00H9UH [0,1,0,0,0,1|2,0,0]=4 1825 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C 1P00H9UI [0,1,0,0,0,1|2,0,0]=4 1826 B11R1.166 CC1CC(C)NCC1C(=O)O 1P01FITF [0,1,0,0,0,1|2,0,0]=4 1827 B11R1.166 CC1CNC(C(C1)C)C(=O)O 1P01FIWB [0,1,0,0,0,1|1,0,0]=3 1828 B11R1.166 CC1NC(C)CCC1C(=O)O 1P01C2WL [0,1,0,0,0,1|2,0,0]=4 1829 B11R1.166 CC1NC(C)CCC1C(=O)O 1P01C4RZ [0,1,0,0,0,1|2,0,0]=4 1830 B11R1.166 CC1OC(C)CNC1C(=O)O 1P01C4PR [0,1,0,0,0,1|1,0,0]=3 1831 B11R1.166 C[C@@H]1N[C@H](C)CC[C@@H]1C(=O)O 1P028IO9 [0,1,0,0,0,1|2,0,0]=4 1832 B11R1.166 C[C@H]1O[C@@H](C)CNC1C(=O)O 1P028GMJ [0,1,0,0,0,1|1,0,0]=3 1833 B11R1.166 NC1CCC(N(C1)C)C(=O)O 1P0288LS [0,1,0,0,0,1|1,0,0]=3 1834 B11R1.166 N[C@@H]1CC[C@@H]([C@@H](C1)C)C(=O)O 1P024TRS [0,1,0,0,0,1|2,0,0]=4 1835 B11R1.166 OC1CCC(N(C1)C)C(=O)O 1P027V2F [0,1,0,0,0,1|0,0,0]=2 1836 B11R1.220 CC1CCC(CC1)(C)C(=O)O 1P006XTB [0,1,0,0,0,1|2,0,0]=4 1837 B11R1.220 CC1CCC(CC1)(F)C(=O)O 1P006AID [0,1,0,0,0,1|2,0,0]=4 1838 B11R1.220 CC1CCC(CC1)(N)C(=O)O 1P019NML [0,1,0,0,0,1|2,0,0]=4 1839 B11R1.220 CC1CCC(CC1)(O)C(=O)O 1P00CKLW [0,1,0,0,0,1|2,0,0]=4 1840 B11R1.220 NC1CCC(CC1)(N)C(=O)O 1P01A25P [0,1,0,0,0,1|2,0,0]=4 1841 B11R1.220 OC1CCC(CC1)(C)C(=O)O 1P01C034 [0,1,0,0,0,1|1,0,0]=3 1842 B11R1.727 OC(=O)C1CCC(CC1)(C)C 1P01A1O0 [0,1,0,0,0,1|2,0,0]=4 1843 B11R1.727 OC(=O)C1CCC(CC1)(F)F 1P0034BF [0,1,0,0,0,1|2,0,0]=4 1844 B11R1.727 OC(=O)C1CCC(CN1)(C)C 1P01FIWJ [0,1,0,0,0,1|1,0,0]=3 1845 B11R1.727 OC(=O)C1CCC(CN1)(F)F 1P000OCK [0,1,0,0,0,1|1,0,0]=3 1846 B11R1.727 OC(=O)C1CCC(CO1)(C)C 1P028XP2 [0,1,0,0,0,1|2,0,0]=4 1847 B11R1.727 OC(=O)C1CCC(CO1)(F)F 1P01BIKW [0,1,0,0,0,1|2,0,0]=4 1848 B11R1.727 OC(=O)C1CCC(NC1)(C)C 1P028X2U [0,1,0,0,0,1|2,0,0]=4 1849 B11R1.727 OC(=O)C1CCC(OC1)(C)C 1P0197PK [0,1,0,0,0,1|2,0,0]=4 1850 B11R1.727 OC(=O)C1CCS(=O)(=O)CN1 1P028QJ6 [0,1,0,0,0,1|1,0,1]=4 1851 B11R1.727 OC(=O)C1NCC(OC1)(C)C 1P000O8N [0,1,0,0,0,1|1,0,0]=3 1852 B11R1.727 OC(=O)C1OCC(NC1)(C)C 1P028MSD [0,1,0,0,0,1|2,0,0]=4 1853 B11R1.727 OC(=O)C1OCC(OC1)(C)C 1P0197Y6 [0,1,0,0,0,1|2,0,0]=4 1854 B11R1.727 OC(=O)[C@@H]1CC[C@@](CC1)(C)O 1P01QLDS [0,1,0,0,0,1|1,0,0]=3 1855 B11R1.727 OC(=O)[C@@H]1CC[C@](CC1)(C)F 1P0208M1 [0,1,0,0,0,1|2,0,0]=4 1856 B11R1.727 OC(=O)[C@@H]1CC[C@](CC1)(C)O 1P028VCP [0,1,0,0,0,1|1,0,0]=3 1857 B11R1.727 OC(=O)[C@@H]1NCC(OC1)(C)C 1P009KFW [0,1,0,0,0,1|1,0,0]=3 1858 B11R1.727 OC(=O)[C@H]1NCC(OC1)(C)C 1P000WE8 [0,1,0,0,0,1|1,0,0]=3 1859 B11R1.39 COC(=O)CC1CCC(C1)Br 1P028OI2 [0,1,0,0,0,1|2,0,0]=4 1860 B11R1.39 COC(=O)C[C@@H]1CC[C@@H](C1)O 1P01DYAM [0,1,0,0,0,1|1,0,0]=3 1861 B11R1.39 COC(=O)C[C@@H]1CC[C@H](C1)O 1P01DY4F [0,1,0,0,0,1|1,0,0]=3 1862 B11R1.39 COC(=O)C[C@@H]1C[C@@H](CN1)F 1P01FJZJ [0,1,0,0,0,1|1,0,0]=3 1863 B11R1.39 COC(=O)C[C@@H]1C[C@H](CN1)F 1P01FK02 [0,1,0,0,0,1|1,0,0]=3 1864 B11R1.39 COC(=O)C[C@H]1CC[C@H](C1)O 1P009C6I [0,1,0,0,0,1|1,0,0]=3 1865 B11R1.39 COC(=O)C[C@H]1C[C@@H](CN1)F 1P028SYU [0,1,0,0,0,1|1,0,0]=3 1866 B11R1.43 COC1CCN(C1)CC(=O)O 1P00M3VH [0,1,0,0,0,1|2,0,0]=4 1867 B11R1.43 CO[C@H]1CCN(C1)CC(=O)O 1P028A2A [0,1,0,0,0,1|2,0,0]=4 1868 B11R1.43 N#CC1CCC(C1)CC(=O)O 1P01EKO6 [0,1,0,0,0,1|2,0,0]=4 1869 B11R1.313 [O-]C(=O)CC1CCC(C1O)O 1P028RKT [0,1,0,0,0,1|1,0,1]=4 1870 B11R1.645 O[C@H]1CC(=O)N(C1)CC(=O)O 1P005SS7 [0,1,0,0,0,1|2,0,0]=4 1871 B11R1.710 NC(=O)CC1NCC(C1)(C)C 1P028G8U [0,1,0,0,0,1|2,0,0]=4 1872 B11R1.710 NC(=O)CC1NCC(C1)(F)F 1P028OQW [0,1,0,0,0,1|2,0,0]=4 1873 B11R1.710 OC(=O)CC1CCC(C1)(C)C 1P028OQB [0,1,0,0,0,1|2,0,0]=4 1874 B11R1.710 OC(=O)CC1CCC(C1)(F)F 1P018SN6 [0,1,0,0,0,1|2,0,0]=4 1875 B11R1.710 OC(=O)CC1NCC(C1)(C)C 1P01FISP [0,1,0,0,0,1|1,0,0]=3 1876 B11R1.710 OC(=O)CN1CCC(C1)(C)O 1P01BJKG [0,1,0,0,0,1|2,0,0]=4 1877 B11R1.710 OC(=O)C[C@H]1NCC(C1)(F)F 1P028BNO [0,1,0,0,0,1|1,0,0]=3 1878 B11R1.23 CNC(=O)C1CNCC(C1)C 1P01EJKV [0,1,0,0,0,1|2,0,0]=4 1879 B11R1.23 COC(=O)C1=CCCC(C1)O 1P028L1X [0,1,0,0,0,1|1,0,1]=4 1880 B11R1.23 COC(=O)C1CC(=C)CCN1 1P0293UT [0,1,0,0,0,1|1,0,1]=4 1881 B11R1.23 COC(=O)C1CC(O)CCN1 1P00CJ9G [0,1,0,0,0,1|0,0,0]=2 1882 B11R1.23 COC(=O)C1CCCC(C1)N 1P00H3FB [0,1,0,0,0,1|2,0,0]=4 1883 B11R1.23 COC(=O)C1CCCC(C1)N 1P01A1KD [0,1,0,0,0,1|2,0,0]=4 1884 B11R1.23 COC(=O)C1CCCC(C1)O 1P003S94 [0,1,0,0,0,1|1,0,0]=3 1885 B11R1.23 COC(=O)C1CNCC(C1)C 1P00BBX8 [0,1,0,0,0,1|1,0,0]=3 1886 B11R1.23 COC(=O)C1CNCC(C1)C 1P01DTSL [0,1,0,0,0,1|1,0,0]=3 1887 B11R1.23 COC(=O)C1CNCC(C1)O 1P003SEL [0,1,0,0,0,1|0,0,0]=2 1888 B11R1.23 COC(=O)C1COCC(C1)O 1P00ILQ0 [0,1,0,0,0,1|1,0,0]=3 1889 B11R1.23 COC(=O)C1NCCC(C1)C 1P01AFTL [0,1,0,0,0,1|1,0,0]=3 1890 B11R1.23 COC(=O)C1NCCN(C1)C 1P00EIUM [0,1,0,0,0,1|2,0,0]=4 1891 B11R1.23 COC(=O)C1NCCN(C1)C 1P027V01 [0,1,0,0,0,1|2,0,0]=4 1892 B11R1.23 COC(=O)N1CCCC(C1)O 1P0059EQ [0,1,0,0,0,1|2,0,0]=4 1893 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](C1)N 1P00IEYI [0,1,0,0,0,1|2,0,0]=4 1894 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](C1)N 1P01DY4C [0,1,0,0,0,1|2,0,0]=4 1895 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](C1)O 1P00ILJC [0,1,0,0,0,1|1,0,0]=3 1896 B11R1.23 COC(=O)[C@@H]1CCC[C@H](C1)N 1P00FGCB [0,1,0,0,0,1|2,0,0]=4 1897 B11R1.23 COC(=O)[C@@H]1CCC[C@H](C1)O 1P01KHF4 [0,1,0,0,0,1|1,0,0]=3 1898 B11R1.23 COC(=O)[C@@H]1CCN[C@@H](C1)C 1P00AR8S [0,1,0,0,0,1|2,0,0]=4 1899 B11R1.23 COC(=O)[C@@H]1CNC[C@@H](O1)C 1P01C66R [0,1,0,0,0,1|2,0,0]=4 1900 B11R1.23 COC(=O)[C@@H]1COC[C@@H](C1)N 1P027TYD [0,1,0,0,0,1|2,0,0]=4 1901 B11R1.23 COC(=O)[C@@H]1C[C@@H](N)CCO1 1P028XSN [0,1,0,0,0,1|2,0,0]=4 1902 B11R1.23 COC(=O)[C@@H]1C[C@H](N)CC=C1 1P028TF3 [0,1,0,0,0,1|2,0,0]=4 1903 B11R1.23 COC(=O)[C@@H]1C[C@H](O)CCN1 1P00AOBH [0,1,0,0,0,1|0,0,0]=2 1904 B11R1.23 COC(=O)[C@H]1CC=C[C@H](C1)O 1P01EBUJ [0,1,0,0,0,1|1,0,1]=4 1905 B11R1.23 COC(=O)[C@H]1CCC[C@@H](C1)N 1P00ILN7 [0,1,0,0,0,1|2,0,0]=4 1906 B11R1.23 COC(=O)[C@H]1CCC[C@@H](C1)O 1P01JUVE [0,1,0,0,0,1|1,0,0]=3 1907 B11R1.23 COC(=O)[C@H]1CCC[C@H](C1)N 1P01QF7A [0,1,0,0,0,1|2,0,0]=4 1908 B11R1.23 COC(=O)[C@H]1CCC[C@H](C1)O 1P01JPVU [0,1,0,0,0,1|1,0,0]=3 1909 B11R1.23 COC(=O)[C@H]1CCN[C@H](C1)C 1P01JUT7 [0,1,0,0,0,1|2,0,0]=4 1910 B11R1.23 COC(=O)[C@H]1CNC[C@@H](C1)O 1P027OYR [0,1,0,0,0,1|0,0,0]=2 1911 B11R1.23 COC(=O)[C@H]1CNC[C@H](C1)C 1P001UZ9 [0,1,0,0,0,1|1,0,0]=3 1912 B11R1.23 COC(=O)[C@H]1COC[C@H](C1)O 1P0092M7 [0,1,0,0,0,1|1,0,0]=3 1913 B11R1.23 COC(=O)[C@H]1C[C@H](O)CCN1 1P0097XZ [0,1,0,0,0,1|0,0,0]=2 1914 B11R1.74 CC1CC(CC(C1)C)C(=O)O 1P01A614 [0,1,0,0,0,1|2,0,0]=4 1915 B11R1.74 CC1CS(=O)CC(N1)C(=O)O 1P028V05 [0,1,0,0,0,1|1,0,1]=4 1916 B11R1.74 CN1CC(C)OC(C1)C(=O)O 1P01B5SF [0,1,0,0,0,1|2,0,0]=4 1917 B11R1.74 C[C@@H]1C[C@@H](C[C@@H](C1)C)C(=O)O 1P01JVLY [0,1,0,0,0,1|2,0,0]=4 1918 B11R1.74 C[C@@H]1C[C@@H](C[C@@H](N1)C)C(=O)O 1P01BY7D [0,1,0,0,0,1|2,0,0]=4 1919 B11R1.74 C[C@@H]1C[C@@H](C[C@@H](N1)C)C(=O)O 1P024UPF [0,1,0,0,0,1|2,0,0]=4 1920 B11R1.74 C[C@@H]1C[C@@H](C[C@@H](O1)C)C(=O)O 1P01FHXR [0,1,0,0,0,1|2,0,0]=4 1921 B11R1.74 C[C@@H]1C[C@H](NC(=S)N1)C(=O)O 1P00J3WN [0,1,0,0,0,1|1,0,1]=4 1922 B11R1.74 C[C@H]1CC(=O)N[C@H](C1)C(=O)O 1P01BSK0 [0,1,0,0,0,1|1,0,0]=3 1923 B11R1.74 C[C@H]1C[C@@H](C)N[C@H](C1)C(=O)O 1P01B9OY [0,1,0,0,0,1|1,0,0]=3 1924 B11R1.74 O=C1CC(=O)N[C@@H](C1)C(=O)O 1P028YV3 [0,1,0,0,0,1|0,0,2]=4 1925 B11R1.159 N[C@@H]1CCC[C@@H]([C@@H]1O)C(=O)O 1P02823I [0,1,0,0,0,1|2,0,0]=4 1926 B11R1.159 O[C@@H]1CCN[C@@H]([C@@H]1O)C(=O)O 1P028VAR [0,1,0,0,0,1|0,0,0]=2 1927 B11R1.167 CC1NCC(C(C1)C(=O)O)C 1P01FISJ [0,1,0,0,0,1|2,0,0]=4 1928 B11R1.167 CN1CCN(C(C1)C(=O)O)C 1P00F2E1 [0,1,0,0,0,1|2,0,0]=4 1929 B11R1.167 CN1CCN([C@H](C1)C(=O)O)C 1P027ZYM [0,1,0,0,0,1|2,0,0]=4 1930 B11R1.266 CCC1CCNC(C1)C(=O)O 1P01ELW8 [0,1,0,0,0,1|1,0,0]=3 1931 B11R1.266 CCC1CNCC(C1)C(=O)O 1P027V28 [0,1,0,0,0,1|1,0,0]=3 1932 B11R1.266 CCC1OCCC(C1)C(=O)O 1P01A5BB [0,1,0,0,0,1|2,0,0]=4 1933 B11R1.266 CC[C@H]1NCC[C@H](C1)C(=O)O 1P02806N [0,1,0,0,0,1|2,0,0]=4 1934 B11R1.266 COC1CCCC(C1)C(=O)Cl 1P01BC6X [0,1,0,0,0,1|2,0,0]=4 1935 B11R1.266 COC1CCCC(C1)C(=O)O 1P003K4A [0,1,0,0,0,1|1,0,0]=3 1936 B11R1.266 COC1CCNC(C1)C(=O)O 1P000LL3 [0,1,0,0,0,1|0,0,0]=2 1937 B11R1.266 COC1CCNC(C1)C(=O)O 1P009KM1 [0,1,0,0,0,1|0,0,0]=2 1938 B11R1.266 COC1CNCC(C1)C(=O)O 1P0281CI [0,1,0,0,0,1|0,0,0]=2 1939 B11R1.266 CO[C@H]1CCC[C@@H](C1)C(=O)O 1P01KAEH [0,1,0,0,0,1|1,0,0]=3 1940 B11R1.266 N#CC1CCCC(C1)C(=O)O 1P028ZWU [0,1,0,0,0,1|2,0,0]=4 1941 B11R1.266 N#C[C@H]1CCC[C@H](C1)C(=O)O 1P028SXT [0,1,0,0,0,1|2,0,0]=4 1942 B11R1.266 NCC1CCCC(C1)C(=O)O 1P01BAXF [0,1,0,0,0,1|2,0,0]=4 1943 B11R1.266 NCC1OCCC(C1)C(=O)O 1P027YWF [0,1,0,0,0,1|2,0,0]=4 1944 B11R1.266 OCC1CCCC(C1)C(=O)O 1P01JUZM [0,1,0,0,0,1|1,0,0]=3 1945 B11R1.667 CC1CCCC(C1)(N)C(=O)O 1P00DA8F [0,1,0,0,0,1|2,0,0]=4 1946 B11R1.667 CC1OCCC(C1)(C)C(=O)O 1P01BZON [0,1,0,0,0,1|2,0,0]=4 1947 B11R1.667 CC1OCCC(C1)(N)C(=O)O 1P01ELXA [0,1,0,0,0,1|2,0,0]=4 1948 B11R1.730 NC(=O)C1CNCC(C1)(F)F 1P0293GO [0,1,0,0,0,1|2,0,0]=4 1949 B11R1.730 OC(=O)C1CCCC(C1)(C)C 1P01A0HO [0,1,0,0,0,1|2,0,0]=4 1950 B11R1.730 OC(=O)C1CCCC(C1)(F)F 1P00GAE0 [0,1,0,0,0,1|2,0,0]=4 1951 B11R1.730 OC(=O)C1CCNC(C1)(C)C 1P028UN5 [0,1,0,0,0,1|2,0,0]=4 1952 B11R1.730 OC(=O)C1CCOC(C1)(C)C 1P00DDLY [0,1,0,0,0,1|2,0,0]=4 1953 B11R1.730 OC(=O)C1CNCC(C1)(C)C 1P028K1V [0,1,0,0,0,1|1,0,0]=3 1954 B11R1.730 OC(=O)C1CNCC(C1)(F)F 1P019GIW [0,1,0,0,0,1|1,0,0]=3 1955 B11R1.730 OC(=O)C1CNCC(C1)(F)F 1P024VVA [0,1,0,0,0,1|1,0,0]=3 1956 B11R1.730 OC(=O)C1CNCC(O1)(C)C 1P027K19 [0,1,0,0,0,1|2,0,0]=4 1957 B11R1.730 OC(=O)C1NCCC(C1)(C)C 1P01BESD [0,1,0,0,0,1|1,0,0]=3 1958 B11R1.730 OC(=O)C1NCCC(C1)(F)F 1P0240QJ [0,1,0,0,0,1|1,0,0]=3 1959 B11R1.730 OC(=O)C1NCCS(=O)(=O)C1 1P01ACJ8 [0,1,0,0,0,1|1,0,1]=4 1960 B11R1.730 OC(=O)C1OCCC(C1)(C)C 1P027VQ6 [0,1,0,0,0,1|2,0,0]=4 1961 B11R1.730 OC(=O)[C@@H]1CCCC(C1)(F)F 1P01KAI0 [0,1,0,0,0,1|2,0,0]=4 1962 B11R1.730 OC(=O)[C@H]1NCCC(C1)(F)F 1P024HSJ [0,1,0,0,0,1|1,0,0]=3 1963 B11R1.15 CCOC(=O)C1CC(CO1)O 1P001551 [0,2,0,0,0,0|1,0,0]=3 1964 B11R1.15 CCOC(=O)C1CCC(C1)N 1P01A0WH [0,2,0,0,0,0|2,0,0]=4 1965 B11R1.15 CCOC(=O)C1CCC(C1)O 1P0092Y0 [0,2,0,0,0,0|1,0,0]=3 1966 B11R1.15 CCOC(=O)C1NCC(C1)C 1P01B258 [0,2,0,0,0,0|1,0,0]=3 1967 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](CN1)F 1P01FKBW [0,2,0,0,0,0|1,0,0]=3 1968 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](CN1)O 1P01RO0D [0,2,0,0,0,0|0,0,0]=2 1969 B11R1.15 CCOC(=O)[C@@H]1C[C@H](CN1)O 1P007ICN [0,2,0,0,0,0|0,0,0]=2 1970 B11R1.15 CCOC(=O)[C@@H]1NC[C@H](C1)C 1P001WI7 [0,2,0,0,0,0|1,0,0]=3 1971 B11R1.44 BrCC1CCC(C1)C(=O)OC 1P01JUXT [0,2,0,0,0,0|2,0,0]=4 1972 B11R1.44 BrC[C@H]1CC[C@H](C1)C(=O)OC 1P028H87 [0,2,0,0,0,0|2,0,0]=4 1973 B11R1.44 C#CC1CCC(C1)C(=O)OC 1P01KL03 [0,2,0,0,0,0|2,0,0]=4 1974 B11R1.44 CO[C@H]1CN[C@H](C1)C(=O)NC 1P0280W3 [0,2,0,0,0,0|1,0,0]=3 1975 B11R1.44 CS[C@H]1CN[C@@H](C1)C(=O)OC 1P01EJQD [0,2,0,0,0,0|0,1,0]=3 1976 B11R1.44 NCC1CCC(C1)C(=O)OC 1P00ILPI [0,2,0,0,0,0|2,0,0]=4 1977 B11R1.44 OCC1CCC(C1)C(=O)OC 1P0206D4 [0,2,0,0,0,0|1,0,0]=3 1978 B11R1.44 OCC1CCN(C1)C(=O)OC 1P01DZ17 [0,2,0,0,0,0|2,0,0]=4 1979 B11R1.44 OC[C@H]1CC[C@H](C1)C(=O)OC 1P00EFQE [0,2,0,0,0,0|1,0,0]=3 1980 B11R1.225 CN1C[C@@H](C[C@H]1C(=O)OC)O 1P000WFT [0,2,0,0,0,0|0,0,0]=2 1981 B11R1.225 COC(=O)C1CC(CC1=O)C 1P00DH6C [0,2,0,0,0,0|2,0,0]=4 1982 B11R1.225 COC(=O)[C@@H]1C[C@@H](CN1C)N 1P00J2PI [0,2,0,0,0,0|1,0,0]=3 1983 B11R1.226 COC(=O)[C@@H]1C[C@@H](C(=O)N1)O 1P00DWB1 [0,2,0,0,0,0|0,0,1]=3 1984 B11R1.226 COC(=O)[C@@H]1C[C@@H]([C@@H](C1)N)O 1P0285UE [0,2,0,0,0,0|1,0,0]=3 1985 B11R1.226 COC(=O)[C@@H]1C[C@H](C(=O)N1)O 1P00BB29 [0,2,0,0,0,0|0,0,1]=3 1986 B11R1.226 COC(=O)[C@@H]1C[C@H]([C@@H](C1)N)O 1P027Y2W [0,2,0,0,0,0|1,0,0]=3 1987 B11R1.226 COC(=O)[C@H]1C[C@H]([C@H](C1)N)O 1P0283PU [0,2,0,0,0,0|1,0,0]=3 1988 B11R1.865 COC(=O)[C@@H]1NC[C@H]([C@H]1O)O 1P028FNU [0,2,0,0,0,0|0,0,0]=2 1989 B11R1.866 CNC(=O)C1NCC(C1)(C)C 1P027X3W [0,2,0,0,0,0|2,0,0]=4 1990 B11R1.866 CNC(=O)[C@@H]1NCC(C1)(F)F 1P028U6E [0,2,0,0,0,0|2,0,0]=4 1991 B11R1.866 CNC(=O)[C@H]1NCC(C1)(F)F 1P028104 [0,2,0,0,0,0|2,0,0]=4 1992 B11R1.866 COC(=O)C1CCC(C1)(F)F 1P001BFK [0,2,0,0,0,0|2,0,0]=4 1993 B11R1.866 COC(=O)C1NCC(C1)(C)C 1P01EJKQ [0,2,0,0,0,0|1,0,0]=3 1994 B11R1.866 COC(=O)C1NCC(C1)(F)F 1P01ANNN [0,2,0,0,0,0|1,0,0]=3 1995 B11R1.866 COC(=O)C1NC[Si](C1)(C)C 1P028VHV [0,2,0,0,0,0|1,1,0]=4 1996 B11R1.866 COC(=O)[C@@H]1NCC(C1)(F)F 1P001D98 [0,2,0,0,0,0|1,0,0]=3 1997 B11R1.866 COC(=O)[C@@H]1NCC(C1)(F)F 1P01BVWN [0,2,0,0,0,0|1,0,0]=3 1998 B11R1.866 COC(=O)[C@H]1NCC(C1)(C)C 1P01FLZ2 [0,2,0,0,0,0|1,0,0]=3 1999 B11R1.866 COC(=O)[C@H]1NCC(C1)(F)F 1P001OXO [0,2,0,0,0,0|1,0,0]=3 2000 B11R1.866 COC(=O)[C@H]1NCC(C1)(F)F 1P00A7I4 [0,2,0,0,0,0|1,0,0]=3 2001 B11R1.885 CC1(CC(CN1)F)C(=O)OC 1P01B6KG [0,2,0,0,0,0|1,0,0]=3 2002 B11R1.885 COC(=O)C1(C)CCC(C1)N 1P027YRY [0,2,0,0,0,0|2,0,0]=4 2003 B11R1.885 COC(=O)C1(N)CCC(C1)C 1P01FJS5 [0,2,0,0,0,0|2,0,0]=4 2004 B11R1.885 COC(=O)[C@@]1(C)CC[C@@H](C1)N 1P027VNG [0,2,0,0,0,0|2,0,0]=4 2005 B11R1.885 COC(=O)[C@]1(C)CC[C@H](C1)N 1P01JV9D [0,2,0,0,0,0|2,0,0]=4 2006 B11R1.885 C[C@]1(C[C@@H](CN1)F)C(=O)OC 1P028BFP [0,2,0,0,0,0|1,0,0]=3 2007 B11R1.50 CO[C@@H]1CN([C@@H](C1)C(=O)[O-])C 1P01C25J [0,2,0,0,0,0|0,0,1]=3 2008 B11R1.50 CO[C@@H]1CN([C@H](C1)C(=O)O)C 1P00I26P [0,2,0,0,0,0|0,0,0]=2 2009 B11R1.50 CO[C@H]1CN([C@@H](C1)C(=O)O)C 1P00ILFU [0,2,0,0,0,0|0,0,0]=2 2010 B11R1.124 CCO[C@H]1CN[C@@H](C1)C(=O)O 1P028TUH [0,2,0,0,0,0|0,0,0]=2 2011 B11R1.124 COC[C@@H]1CC[C@@H](C1)C(=O)O 1P00AYCF [0,2,0,0,0,0|1,0,0]=3 2012 B11R1.124 COC[C@@H]1CC[C@@H](N1)C(=O)O 1P01BVWQ [0,2,0,0,0,0|2,0,0]=4 2013 B11R1.124 [N-]=[N+]=NC1CCC(C1)C(=O)O 1P028JK2 [0,2,0,0,0,0|2,0,0]=4 2014 B11R1.124 [N-]=[N+]=N[C@@H]1CN[C@@H](C1)C(=O)O 1P01FITT [0,2,0,0,0,0|1,0,0]=3 2015 B11R1.175 CN([C@@H]1CC[C@@H](C1)C(=O)O)C 1P028V1G [0,2,0,0,0,0|2,0,0]=4 2016 B11R1.175 CN([C@@H]1CN[C@@H](C1)C(=O)O)C 1P00J2PO [0,2,0,0,0,0|1,0,0]=3 2017 B11R1.175 NC(=O)[C@@H]1CC[C@@H](C1)C(=O)O 1P002F04 [0,2,0,0,0,0|1,0,1]=4 2018 B11R1.175 OC(=O)C1CCC(C1)C(=O)O 1P0076YD [0,2,0,0,0,0|1,0,0]=3 2019 B11R1.175 OC(=O)C1CCC(O1)C(=O)O 1P00ED7O [0,2,0,0,0,0|2,0,0]=4 2020 B11R1.175 OC(=O)C1SCC(N1)C(=O)O 1P003V8L [0,2,0,0,0,0|2,0,0]=4 2021 B11R1.175 OC(=O)[C@@H]1CC[C@@H](C1)C(=O)O 1P0038UJ [0,2,0,0,0,0|1,0,0]=3 2022 B11R1.175 OC(=O)[C@@H]1CC[C@@H](O1)C(=O)O 1P00BFX6 [0,2,0,0,0,0|2,0,0]=4 2023 B11R1.175 OC(=O)[C@@H]1NC[C@H](C1)C(=O)O 1P00EA2E [0,2,0,0,0,0|0,0,0]=2 2024 B11R1.175 OC(=O)[C@H]1CC[C@@H](C1)C(=O)O 1P01E8ON [0,2,0,0,0,0|1,0,0]=3 2025 B11R1.175 OC(=O)[C@H]1NC[C@H](C1)C(=O)O 1P00F7TG [0,2,0,0,0,0|0,0,0]=2 2026 B11R1.417 NC[C@@]1(F)CC[C@@H](C1)C(=O)O 1P028LDO [0,2,0,0,0,0|2,0,0]=4 2027 B11R1.417 NC[C@@]1(F)CC[C@H](C1)C(=O)O 1P028TNT [0,2,0,0,0,0|2,0,0]=4 2028 B11R1.1229 CC1(CC(CN1)OC)C(=O)O 1P01BVH3 [0,2,0,0,0,0|0,0,0]=2 2029 B11R1.1229 CCC1CCC(C1)(O)C(=O)O 1P019XEO [0,2,0,0,0,0|2,0,0]=4 2030 B11R1.672 OC(=O)[C@@H]1C[C@H](C(=O)N1C)F 1P028VVI [0,2,0,0,0,0|1,0,1]=4 2031 B11R1.488 CN1CC(CC1C(=O)O)(C)C 1P01FKMM [0,2,0,0,0,0|1,0,0]=3 2032 B11R1.488 CN1CC(CC1C(=O)O)(F)F 1P00MLUS [0,2,0,0,0,0|1,0,0]=3 2033 B11R1.488 CN1CC(C[C@H]1C(=O)O)(C)C 1P001JS2 [0,2,0,0,0,0|1,0,0]=3 2034 B11R1.490 OC1CN(C(C1)(C)C(=O)O)C 1P01BVJX [0,2,0,0,0,0|0,0,0]=2 2035 B11R1.738 OC(=O)C1(C)CCC(C1)(F)F 1P01CANA [0,2,0,0,0,0|2,0,0]=4 2036 B11R1.738 OC(=O)C1(C)NCC(C1)(F)F 1P02875D [0,2,0,0,0,0|1,0,0]=3 2037 B11R1.738 OC(=O)C1(N)CCC(C1)(C)C 1P01B9S8 [0,2,0,0,0,0|2,0,0]=4 2038 B9R1.5 CC1NCCCNC1=O 1P00BIA2 [0,0,1,1,0,0|2,0,0]=4 2039 B9R1.5 C[C@@H]1NCCCNC1=O 1P01BUK2 [0,0,1,1,0,0|2,0,0]=4 2040 B9R1.5 C[C@H]1NCCCNC1=O 1P0054XZ [0,0,1,1,0,0|2,0,0]=4 2041 B9R1.6 CC(=O)C1CCCCN1 1P007DH9 [0,0,1,1,0,0|2,0,0]=4 2042 B9R1.6 CC(=O)C1CCCOC1 1P01A63Q [0,0,1,1,0,0|2,0,0]=4 2043 B9R1.6 CC(=O)C1COCCO1 1P01A0J7 [0,0,1,1,0,0|2,0,0]=4 2044 B9R1.6 CC(=O)[C@@H]1CCCCN1 1P01ANWE [0,0,1,1,0,0|2,0,0]=4 2045 B9R1.6 CC(=O)[C@H]1CCCCN1 1P01ANWF [0,0,1,1,0,0|2,0,0]=4 2046 B9R1.6 CC(C1COCCN1)O 1P021XJL [0,0,1,1,0,0|1,0,1]=4 2047 B9R1.6 ClC(=O)C1CCCOC1 1P01A5XX [0,0,1,1,0,0|2,0,0]=4 2048 B9R1.6 NC(=O)C1CCCCN1 1P002C8O [0,0,1,1,0,0|2,0,0]=4 2049 B9R1.6 NC(=O)C1CCCCN1 1P00G4KZ [0,0,1,1,0,0|2,0,0]=4 2050 B9R1.6 NC(=O)C1CNCCN1 1P004SGN [0,0,1,1,0,0|2,0,0]=4 2051 B9R1.6 NC(=O)C1COCCN1 1P00G8P7 [0,0,1,1,0,0|1,0,0]=3 2052 B9R1.6 NC(=O)C1CSCCN1 1P009T23 [0,0,1,1,0,0|1,1,0]=4 2053 B9R1.6 NC(=O)[C@@H]1CCCCN1 1P00H6KN [0,0,1,1,0,0|2,0,0]=4 2054 B9R1.6 NC(=O)[C@H]1CCCCN1 1P005E3G [0,0,1,1,0,0|2,0,0]=4 2055 B9R1.6 NC(=O)[C@H]1COCCN1 1P01BTVJ [0,0,1,1,0,0|1,0,0]=3 2056 B9R1.6 NC(=O)[C@H]1NCCNC1 1P024SD6 [0,0,1,1,0,0|2,0,0]=4 2057 B9R1.6 OC(=O)C1=CCCOC1 1P00022F [0,0,1,1,0,0|1,0,1]=4 2058 B9R1.6 OC(=O)C1CC=CCN1 1P01SOEB [0,0,1,1,0,0|1,0,1]=4 2059 B9R1.6 OC(=O)C1CCCCC1 1P003546 [0,0,1,1,0,0|2,0,0]=4 2060 B9R1.6 OC(=O)C1CCCCN1 1P001QUT [0,0,1,1,0,0|1,0,0]=3 2061 B9R1.6 OC(=O)C1CCCCN1 1P0032UQ [0,0,1,1,0,0|1,0,0]=3 2062 B9R1.6 OC(=O)C1CCCCO1 1P003V5T [0,0,1,1,0,0|2,0,0]=4 2063 B9R1.6 OC(=O)C1CCCCS1 1P00DYOK [0,0,1,1,0,0|2,0,0]=4 2064 B9R1.6 OC(=O)C1CCCNC1 1P003TKX [0,0,1,1,0,0|2,0,0]=4 2065 B9R1.6 OC(=O)C1CCCNC1 1P019GDL [0,0,1,1,0,0|2,0,0]=4 2066 B9R1.6 OC(=O)C1CCCNN1 1P0202D4 [0,0,1,1,0,0|2,0,0]=4 2067 B9R1.6 OC(=O)C1CCCOC1 1P004OJR [0,0,1,1,0,0|1,0,0]=3 2068 B9R1.6 OC(=O)C1CCCSC1 1P001SWD [0,0,1,1,0,0|1,1,0]=4 2069 B9R1.6 OC(=O)C1CCOCN1 1P0281IO [0,0,1,1,0,0|2,0,0]=4 2070 B9R1.6 OC(=O)C1CCSCN1 1P00EEUN [0,0,1,1,0,0|2,0,0]=4 2071 B9R1.6 OC(=O)C1CCSCN1 1P00J29I [0,0,1,1,0,0|2,0,0]=4 2072 B9R1.6 OC(=O)C1CNCCN1 1P002UQ4 [0,0,1,1,0,0|1,0,0]=3 2073 B9R1.6 OC(=O)C1CNCCN1 1P00JKZR [0,0,1,1,0,0|1,0,0]=3 2074 B9R1.6 OC(=O)C1CNCCO1 1P003I7L [0,0,1,1,0,0|2,0,0]=4 2075 B9R1.6 OC(=O)C1CNCCO1 1P003I7M [0,0,1,1,0,0|2,0,0]=4 2076 B9R1.6 OC(=O)C1CNCCS1 1P0049RE [0,0,1,1,0,0|2,0,0]=4 2077 B9R1.6 OC(=O)C1COCCN1 1P00348D [0,0,1,1,0,0|0,0,0]=2 2078 B9R1.6 OC(=O)C1COCCN1 1P00348E [0,0,1,1,0,0|0,0,0]=2 2079 B9R1.6 OC(=O)C1COCCO1 1P003ZD6 [0,0,1,1,0,0|1,0,0]=3 2080 B9R1.6 OC(=O)C1COCOC1 1P01IKQ1 [0,0,1,1,0,0|2,0,0]=4 2081 B9R1.6 OC(=O)C1CSCCN1 1P002KT8 [0,0,1,1,0,0|0,1,0]=3 2082 B9R1.6 OC(=O)C1CSCCN1 1P005U2E [0,0,1,1,0,0|0,1,0]=3 2083 B9R1.6 OC(=O)C1CSCCS1 1P019POD [0,0,1,1,0,0|1,1,0]=4 2084 B9R1.6 OC(=O)C1NCCC=C1 1P0206WO [0,0,1,1,0,0|1,0,1]=4 2085 B9R1.6 OC(=O)C1NCCCS1 1P005CY3 [0,0,1,1,0,0|2,0,0]=4 2086 B9R1.6 OC(=O)C1NCCCS1 1P028RJW [0,0,1,1,0,0|2,0,0]=4 2087 B9R1.6 OC(=O)C1NCCNC1 1P00I64V [0,0,1,1,0,0|1,0,0]=3 2088 B9R1.6 OC(=O)[C@@H]1CCCCN1 1P0032HJ [0,0,1,1,0,0|1,0,0]=3 2089 B9R1.6 OC(=O)[C@@H]1CCCCN1 1P0073ED [0,0,1,1,0,0|1,0,0]=3 2090 B9R1.6 OC(=O)[C@@H]1CCCCO1 1P007F1C [0,0,1,1,0,0|2,0,0]=4 2091 B9R1.6 OC(=O)[C@@H]1CCCNC1 1P008BRH [0,0,1,1,0,0|2,0,0]=4 2092 B9R1.6 OC(=O)[C@@H]1CCCNC1 1P00I59B [0,0,1,1,0,0|2,0,0]=4 2093 B9R1.6 OC(=O)[C@@H]1CCCNN1 1P01DN52 [0,0,1,1,0,0|2,0,0]=4 2094 B9R1.6 OC(=O)[C@@H]1CCCOC1 1P00NEMM [0,0,1,1,0,0|1,0,0]=3 2095 B9R1.6 OC(=O)[C@@H]1CNCCN1 1P007KK0 [0,0,1,1,0,0|1,0,0]=3 2096 B9R1.6 OC(=O)[C@@H]1CNCCO1 1P001J3F [0,0,1,1,0,0|2,0,0]=4 2097 B9R1.6 OC(=O)[C@@H]1COCCN1 1P003D2S [0,0,1,1,0,0|0,0,0]=2 2098 B9R1.6 OC(=O)[C@@H]1COCCN1 1P0081DN [0,0,1,1,0,0|0,0,0]=2 2099 B9R1.6 OC(=O)[C@@H]1COCCO1 1P0023WB [0,0,1,1,0,0|1,0,0]=3 2100 B9R1.6 OC(=O)[C@@H]1NCCNC1 1P000T44 [0,0,1,1,0,0|1,0,0]=3 2101 B9R1.6 OC(=O)[C@H]1CCCCN1 1P00C087 [0,0,1,1,0,0|1,0,0]=3 2102 B9R1.6 OC(=O)[C@H]1CCCCO1 1P007F1B [0,0,1,1,0,0|2,0,0]=4 2103 B9R1.6 OC(=O)[C@H]1CCCNC1 1P0037MY [0,0,1,1,0,0|2,0,0]=4 2104 B9R1.6 OC(=O)[C@H]1CCCNC1 1P004WIX [0,0,1,1,0,0|2,0,0]=4 2105 B9R1.6 OC(=O)[C@H]1CCCOC1 1P01JUNC [0,0,1,1,0,0|1,0,0]=3 2106 B9R1.6 OC(=O)[C@H]1CNCCO1 1P000XF5 [0,0,1,1,0,0|2,0,0]=4 2107 B9R1.6 OC(=O)[C@H]1CNCCO1 1P009BB3 [0,0,1,1,0,0|2,0,0]=4 2108 B9R1.6 OC(=O)[C@H]1COCCN1 1P0039ZQ [0,0,1,1,0,0|0,0,0]=2 2109 B9R1.6 OC(=O)[C@H]1COCCN1 1P003CQE [0,0,1,1,0,0|0,0,0]=2 2110 B9R1.6 OC(=O)[C@H]1COCCO1 1P00AO1E [0,0,1,1,0,0|1,0,0]=3 2111 B9R1.6 OC(=O)[C@H]1CSCCN1 1P005OO5 [0,0,1,1,0,0|0,1,0]=3 2112 B9R1.6 OC(=O)[C@H]1NCCNC1 1P001R7K [0,0,1,1,0,0|1,0,0]=3 2113 B9R1.110 CC(C(=O)O)C1CCC1 1P01AV1L [0,0,1,1,0,0|2,0,0]=4 2114 B9R1.110 CC(C(=O)O)N1CCC1 1P01FKPD [0,0,1,1,0,0|1,0,0]=3 2115 B9R1.112 CC(C(=O)O)CC1CC1 1P01DRRR [0,0,1,1,0,0|2,0,0]=4 2116 B9R1.1 NCC1CCC(=O)CC1 1P01E0JY [0,0,1,1,0,0|2,0,0]=4 2117 B9R1.1 NCC1CCC(=O)NC1 1P00CAYN [0,0,1,1,0,0|2,0,0]=4 2118 B9R1.1 NCC1CCC(=O)NC1 1P01BBQE [0,0,1,1,0,0|2,0,0]=4 2119 B9R1.1 NCC1CCC(=O)NC1 1P028722 [0,0,1,1,0,0|2,0,0]=4 2120 B9R1.1 NCC1CNC(=O)CO1 1P00G91H [0,0,1,1,0,0|2,0,0]=4 2121 B9R1.1 NCC1CNC(=O)CO1 1P00HZY5 [0,0,1,1,0,0|2,0,0]=4 2122 B9R1.46 C[C@@H]1C[C@H]1CCC(=O)O 1P02888H [0,0,1,1,0,0|2,0,0]=4 2123 B9R1.67 NC1CCC1CC(=O)O 1P028TTK [0,0,1,1,0,0|2,0,0]=4 2124 B9R1.84 OC(=O)CCC1CCC1 1P00D98Y [0,0,1,1,0,0|2,0,0]=4 2125 B9R1.84 OC(=O)COC1CNC1 1P01C6XS [0,0,1,1,0,0|2,0,0]=4 2126 B9R1.84 OC(=O)COC1CNC1 1P01C6XT [0,0,1,1,0,0|2,0,0]=4 2127 B9R1.84 [O-]C(=O)CCC1CCO1 1P01C3R8 [0,0,1,1,0,0|1,0,1]=4 2128 B9R1.86 CC[C@@H]1C[C@H]1CC(=O)O 1P0285MJ [0,0,1,1,0,0|2,0,0]=4 2129 B9R1.127 CC1(CC)CC1C(=O)O 1P01A00M [0,0,1,1,0,0|2,0,0]=4 2130 B9R1.147 OC(=O)CCC1(C)CC1 1P004JGG [0,0,1,1,0,0|2,0,0]=4 2131 B9R1.147 OC(=O)CCC1(F)CC1 1P027V3V [0,0,1,1,0,0|2,0,0]=4 2132 B9R1.15 CCC1CCCOC1=O 1P00CY9J [0,0,1,1,0,0|2,0,0]=4 2133 B9R1.15 CCC1CCOCC1=O 1P01DW0C [0,0,1,1,0,0|2,0,0]=4 2134 B9R1.15 CNC1CCCNC1=O 1P01AVH2 [0,0,1,1,0,0|2,0,0]=4 2135 B9R1.33 BrCCC1CCOC1=O 1P019ZFZ [0,0,1,1,0,0|2,0,0]=4 2136 B9R1.33 OCCC1CCNC1=O 1P01ALNF [0,0,1,1,0,0|2,0,0]=4 2137 B9R1.33 OCCC1CCOC1=O 1P019KYT [0,0,1,1,0,0|1,0,0]=3 2138 B9R1.33 OCCN1CCOC1=O 1P007ER4 [0,0,1,1,0,0|2,0,0]=4 2139 B9R1.116 CNC(C(=O)N)C1CC1 1P028A1X [0,0,1,1,0,0|2,0,0]=4 2140 B9R1.116 CNC(C(=O)O)C1CC1 1P028R5P [0,0,1,1,0,0|1,0,0]=3 2141 B9R1.116 CSC(C(=O)O)C1CC1 1P0283WX [0,0,1,1,0,0|2,0,0]=4 2142 B9R1.119 CCC1(CCC1)C(=O)O 1P00HYAI [0,0,1,1,0,0|2,0,0]=4 2143 B9R1.119 CCC1(CCO1)C(=O)O 1P01JURB [0,0,1,1,0,0|1,0,0]=3 2144 B9R1.119 CNC1(CCC1)C(=O)N 1P0283GO [0,0,1,1,0,0|2,0,0]=4 2145 B9R1.119 CNC1(CCC1)C(=O)O 1P01C3UG [0,0,1,1,0,0|1,0,0]=3 2146 B9R1.119 CNC1(COC1)C(=O)O 1P00KAHL [0,0,1,1,0,0|2,0,0]=4 2147 B9R1.119 CNC1(COC1)C(=O)O 1P01FIX2 [0,0,1,1,0,0|2,0,0]=4 2148 B9R1.119 CNC1(CSC1)C(=O)O 1P028WSF [0,0,1,1,0,0|2,0,0]=4 2149 B9R1.119 COC1(CCC1)C(=O)O 1P01A6D6 [0,0,1,1,0,0|2,0,0]=4 2150 B9R1.119 CSC1(CCC1)C(=O)O 1P00CSUS [0,0,1,1,0,0|2,0,0]=4 2151 B9R1.119 NNC1(CCC1)C(=O)O 1P0293T0 [0,0,1,1,0,0|2,0,0]=4 2152 B9R1.179 ClCCC1(CC1)C(=O)O 1P00ILJY [0,0,1,1,0,0|2,0,0]=4 2153 B9R1.179 FCCC1(CC1)C(=O)O 1P01BCUD [0,0,1,1,0,0|2,0,0]=4 2154 B9R1.179 NCCC1(CC1)C(=O)O 1P000TQK [0,0,1,1,0,0|2,0,0]=4 2155 B9R1.179 NCCC1(CC1)C(=O)O 1P001IBY [0,0,1,1,0,0|2,0,0]=4 2156 B9R1.179 OCCC1(CC1)C(=O)O 1P00HYEA [0,0,1,1,0,0|1,0,0]=3 2157 B9R1.36 NC1CC(OC1=O)(C)C 1P01A2R5 [0,0,1,1,0,0|1,0,0]=3 2158 B9R1.36 O=C1OC(CC1C)(C)C 1P002S4U [0,0,1,1,0,0|2,0,0]=4 2159 B9R1.161 CC(C1CC1C(=O)O)O 1P028OJL [0,0,1,1,0,0|1,0,0]=3 2160 B9R1.161 CC([C@@H]1C[C@H]1C(=O)O)N 1P028TPB [0,0,1,1,0,0|2,0,0]=4 2161 B9R1.169 OC(=O)C1(Br)CC1(C)C 1P028U3O [0,0,1,1,0,0|2,0,0]=4 2162 B9R1.169 OC(=O)C1(C)CC1(C)C 1P029191 [0,0,1,1,0,0|2,0,0]=4 2163 B9R1.169 OC(=O)C1(Cl)CC1(C)C 1P028WQS [0,0,1,1,0,0|2,0,0]=4 2164 B9R1.169 OC(=O)C1(N)CC1(C)C 1P028LAI [0,0,1,1,0,0|1,0,0]=3 2165 B9R1.169 OC(=O)C1(N)CC1(F)F 1P027VWV [0,0,1,1,0,0|2,0,0]=4 2166 B9R1.169 OC(=O)C1(O)CC1(C)C 1P028OO3 [0,0,1,1,0,0|2,0,0]=4 2167 B9R1.53 CC1CC(C1)CC(=O)O 1P01JUW8 [0,0,1,1,0,0|2,0,0]=4 2168 B9R1.53 CC1CN(C1)CC(=O)O 1P01ALYT [0,0,1,1,0,0|1,0,0]=3 2169 B9R1.53 FC1CC(C1)CC(=O)O 1P01DWAT [0,0,1,1,0,0|2,0,0]=4 2170 B9R1.53 NC1CC(C1)CC(=O)O 1P001DAW [0,0,1,1,0,0|2,0,0]=4 2171 B9R1.53 NC1CC(C1)CC(=O)O 1P01E84R [0,0,1,1,0,0|2,0,0]=4 2172 B9R1.53 NC1CN(C1)CC(=O)O 1P028SVN [0,0,1,1,0,0|1,0,0]=3 2173 B9R1.53 N[C@@H]1C[C@@H](C1)CC(=O)O 1P00HYGR [0,0,1,1,0,0|2,0,0]=4 2174 B9R1.53 N[C@@H]1C[C@H](C1)CC(=O)O 1P01JP7C [0,0,1,1,0,0|2,0,0]=4 2175 B9R1.53 OC1CN(C1)CC(=O)O 1P0189MR [0,0,1,1,0,0|0,0,0]=2 2176 B9R1.53 O[C@@H]1C[C@@H](C1)CC(=O)O 1P020467 [0,0,1,1,0,0|1,0,0]=3 2177 B9R1.53 O[C@@H]1C[C@H](C1)CC(=O)O 1P02045N [0,0,1,1,0,0|1,0,0]=3 2178 B9R1.53 SC1CC(C1)CC(=O)O 1P028T3L [0,0,1,1,0,0|1,1,0]=4 2179 B9R1.66 O=C1CCCC(O1)(C)C 1P002S4V [0,0,1,1,0,0|2,0,0]=4 2180 B9R1.66 O=C1CNCC(N1)(C)C 1P01DX4T [0,0,1,1,0,0|2,0,0]=4 2181 B9R1.66 O=C1CNCC(N1)(C)C 1P021V89 [0,0,1,1,0,0|2,0,0]=4 2182 B9R1.85 OC(=O)CCCC1CC1 1P01AL1K [0,0,1,1,0,0|2,0,0]=4 2183 B9R1.85 OC(=O)CNCC1CC1 1P00F21A [0,0,1,1,0,0|1,0,0]=3 2184 B9R1.85 OC(=O)CNCC1CC1 1P01AD98 [0,0,1,1,0,0|1,0,0]=3 2185 B9R1.85 OC(=O)COCC1CC1 1P00C2X4 [0,0,1,1,0,0|2,0,0]=4 2186 B9R1.85 OC(=O)CSCC1CC1 1P00J2CH [0,0,1,1,0,0|2,0,0]=4 2187 B9R2.39 O=C1CC2CC1OC2 1P028MXT [1,0,0,1,0,0|2,0,0]=4 2188 B9R2.39 O=C1NC2CC1CC2 1P002PDQ [1,0,0,1,0,0|2,0,0]=4 2189 B9R2.39 O=C1NC2CC1NC2 1P027OYG [1,0,0,1,0,0|1,0,0]=3 2190 B9R2.39 O=C1N[C@@H]2C[C@H]1CC2 1P009B9C [1,0,0,1,0,0|2,0,0]=4 2191 B9R2.39 O=C1N[C@@H]2C[C@H]1NC2 1P027OK7 [1,0,0,1,0,0|1,0,0]=3 2192 B9R2.39 O=C1N[C@H]2C[C@@H]1CC2 1P01B9BU [1,0,0,1,0,0|2,0,0]=4 2193 B9R2.39 O=C1N[C@H]2C[C@@H]1NC2 1P00J3DV [1,0,0,1,0,0|1,0,0]=3 2194 B9R2.39 O=C1O[C@H]2C[C@@H]1NC2 1P008P01 [1,0,0,1,0,0|0,0,0]=2 2195 B9R2.39 OC1CC2CC1C=C2 1P000VFJ [1,0,0,1,0,0|2,0,0]=4 2196 B9R2.39 OC1CC2CC1NC2 1P002DF8 [1,0,0,1,0,0|1,0,1]=4 2197 B9R2.39 O[C@@H]1C[C@@H]2C[C@H]1OC2 1P0282HQ [1,0,0,1,0,0|1,0,1]=4 2198 B9R2.39 O[C@@H]1C[C@H]2N[C@@H]1CC2 1P0026TT [1,0,0,1,0,0|1,0,1]=4 2199 B9R2.39 O[C@H]1C[C@H]2C[C@@H]1NC2 1P01JVKU [1,0,0,1,0,0|1,0,1]=4 2200 B9R2.39 O[C@H]1C[C@H]2N[C@@H]1CC2 1P00230T [1,0,0,1,0,0|1,0,1]=4 2201 B9R2.47 O=CC1CC2C(C1)C2 1P01B7SP [1,0,0,1,0,0|2,0,0]=4 2202 B9R2.68 C1=CC2CC(C1)CN2 1P028X4L [1,0,0,1,0,0|2,0,0]=4 2203 B9R2.68 C1CC2NCC(O1)C2 1P0291F3 [1,0,0,1,0,0|1,0,1]=4 2204 B9R2.68 O1CC2NCC(C1)C2 1P028CFF [1,0,0,1,0,0|1,0,1]=4 2205 B9R2.70 OC[C@H]1NC[C@H]2[C@@H]1C2 1P0023NO [1,0,0,1,0,0|1,0,1]=4 2206 B9R2.110 CC12CNC(C1)CO2 1P028CPI [1,0,0,1,0,0|1,0,1]=4 2207 B9R2.7 O=C1C[C@H]2[C@@H]1OCC2 1P00J3A0 [1,0,0,1,0,0|2,0,0]=4 2208 B9R2.7 O=C1N[C@@H]2[C@H]1CCC2 1P00BH0A [1,0,0,1,0,0|2,0,0]=4 2209 B9R2.7 O=C1N[C@H]2[C@@H]1CCC2 1P0076ML [1,0,0,1,0,0|2,0,0]=4 2210 B9R2.144 OC(=O)C12CCC1C2 1P01BU4E [1,0,0,1,0,0|1,0,0]=3 2211 B9R2.150 OC(=O)C1CC2C1C2 1P01XBSJ [1,0,0,1,0,0|1,0,0]=3 2212 B9R2.19 O=C1CNC2CC1C2 1P027XWW [0,0,0,1,1,0|2,0,0]=4 2213 B9R2.19 O=C1NCC2CC1C2 1P01EM70 [0,0,0,1,1,0|2,0,0]=4 2214 B9R2.19 O=C1NCC2CC1N2 1P027OYV [0,0,0,1,1,0|2,0,0]=4 2215 B9R2.145 CC(=O)C12CC(C1)C2 1P00AG3K [0,0,0,1,1,0|2,0,0]=4 2216 B9R2.145 OC(=O)C12CC(C1)C2 1P00CC92 [0,0,0,1,1,0|1,0,0]=3 2217 B11R2.68 IC1CCC2CC1OC2=O 1P00G82Y [0,0,0,1,0,1|2,0,0]=4 2218 B11R2.696 O=C1OC2(C)CCC1CC2 1P02815Z [0,0,0,1,0,1|2,0,0]=4 2219 B11R2.746 FC1CCC2(C1C2)C(=O)O 1P027V44 [0,0,0,1,0,1|2,0,0]=4 2220 B11R2.746 NC1CCC2(C1C2)C(=O)O 1P028YCA [0,0,0,1,0,1|2,0,0]=4 2221 B11R2.821 OC(=O)C1CNC2CC1C2 1P028WP1 [0,0,0,1,0,1|2,0,0]=4 2222 B11R2.839 OC(=O)C1CC2CC2CO1 1P028FWU [0,0,0,1,0,1|2,0,0]=4 2223 B11R2.839 OC(=O)C1CCC2C(C1)C2 1P01B8AP [0,0,0,1,0,1|2,0,0]=4 2224 B11R2.1839 OC(=O)C12CCC(C1)CC2 1P00AMGB [0,0,0,1,0,1|2,0,0]=4 2225 B11R2.1839 OC(=O)C12CCC(C1)CN2 1P01B4IB [0,0,0,1,0,1|1,0,0]=3 2226 B11R2.1839 OC(=O)C12CCC(C1)CO2 1P0286ZB [0,0,0,1,0,1|2,0,0]=4 2227 B11R2.1839 OC(=O)C12CCC(C1)NC2 1P01B4M2 [0,0,0,1,0,1|2,0,0]=4 2228 B11R2.1839 OC(=O)C12CCC(C1)OC2 1P028PCS [0,0,0,1,0,1|2,0,0]=4 2229 B11R2.1839 OC(=O)C12CCC(N1)CC2 1P019NJV [0,0,0,1,0,1|2,0,0]=4 2230 B11R2.1839 OC(=O)C12CCC(O1)CC2 1P01BYBR [0,0,0,1,0,1|1,0,0]=3 2231 B11R2.1839 OC(=O)C12CC[C@@H](C1)NC2 1P019RHN [0,0,0,1,0,1|2,0,0]=4 2232 B11R2.1839 OC(=O)C12CNC(C1)CO2 1P01EM0O [0,0,0,1,0,1|2,0,0]=4 2233 B11R2.1839 OC(=O)C12COC(C1)CN2 1P0283K0 [0,0,0,1,0,1|1,0,0]=3 2234 B11R2.1839 OC(=O)C12COC(C1)CO2 1P0281N2 [0,0,0,1,0,1|2,0,0]=4 2235 B11R2.1839 OC(=O)[C@@]12CC[C@@H](C1)NC2 1P028OYO [0,0,0,1,0,1|2,0,0]=4 2236 B11R2.66 O=C1C[C@H]2[C@@H](O1)[C@@H](CC2)O 1P028S1F [0,0,0,1,0,1|1,0,0]=3 2237 B11R2.139 NC1C[C@@H]2[C@H](C1)OC(=O)O2 1P028M3U [0,0,0,1,0,1|2,0,0]=4 2238 B11R2.139 OC1C[C@@H]2[C@H](C1)OC(=O)O2 1P027YXJ [0,0,0,1,0,1|1,0,0]=3 2239 B11R2.139 O[C@@H]1C[C@H]2[C@@H](C1)CC(=O)C2 1P01DX39 [0,0,0,1,0,1|2,0,0]=4 2240 B11R2.434 O=C1C[C@@H]2C[C@H]([C@H](C1)C2)O 1P028D6T [0,0,0,1,0,1|2,0,0]=4 2241 B11R2.434 O=C1N[C@@H]2C[C@H]([C@H](O1)C2)N 1P0288F2 [0,0,0,1,0,1|2,0,0]=4 2242 B11R2.434 O=C1N[C@@H]2C[C@H]([C@H](O1)C2)N 1P0290EQ [0,0,0,1,0,1|2,0,0]=4 2243 B11R2.530 FC1CCC2C1C2C(=O)O 1P028OI5 [0,0,0,1,0,1|2,0,0]=4 2244 B11R2.823 OC(=O)[C@H]1[C@H]2NC[C@@]1(C2)C 1P027XAE [0,0,0,1,0,1|1,0,0]=3 2245 B11R2.845 OC(=O)C1=CC2CC1CC2 1P005TVB [0,0,0,1,0,1|2,0,0]=4 2246 B11R2.845 OC(=O)C1CC2CC1CC2 1P003TR2 [0,0,0,1,0,1|2,0,0]=4 2247 B11R2.845 OC(=O)C1CC2CC1NC2 1P00IL6D [0,0,0,1,0,1|1,0,0]=3 2248 B11R2.845 OC(=O)C1NC2CC1CC2 1P004ARZ [0,0,0,1,0,1|2,0,0]=4 2249 B11R2.845 OC(=O)C1OC2CC1CC2 1P028AFN [0,0,0,1,0,1|1,0,0]=3 2250 B11R2.845 OC(=O)[C@@H]1C[C@H]2C[C@@H]1CC2 1P028GGF [0,0,0,1,0,1|2,0,0]=4 2251 B11R2.845 OC(=O)[C@@H]1N[C@@H]2C[C@H]1CC2 1P00I00P [0,0,0,1,0,1|2,0,0]=4 2252 B11R2.845 OC(=O)[C@H]1C[C@@H]2C[C@H]1CC2 1P01KAHY [0,0,0,1,0,1|2,0,0]=4 2253 B11R2.845 OC(=O)[C@H]1N[C@H]2C[C@@H]1CC2 1P00AO6W [0,0,0,1,0,1|2,0,0]=4 2254 B11R2.857 OC(=O)CC12NCC(C1)C2 1P01B9PZ [0,0,0,1,0,1|1,0,0]=3 2255 B11R2.932 OC(=O)CC1CCC2C1C2 1P01C1VT [0,0,0,1,0,1|2,0,0]=4 2256 B11R2.934 OC(=O)CC1CC2C(C1)C2 1P028PUA [0,0,0,1,0,1|2,0,0]=4 2257 B11R2.357 O=C1CCC2CC1NCC2 1P01FJPM [0,0,0,1,0,1|2,0,0]=4 2258 B11R2.411 N[C@@H]1C[C@@H]2[C@](C1)(C2)C(=O)O 1P027JPK [0,0,0,1,0,1|2,0,0]=4 2259 B11R2.818 OC(=O)[C@]12CNC[C@]1(C2)C 1P028U40 [0,0,0,1,0,1|1,0,0]=3 2260 B11R2.846 OC(=O)C1CC2CC(C1)C2 1P01SIIY [0,0,0,1,0,1|2,0,0]=4 2261 B11R2.1826 OC(=O)C12CCCC(C1)N2 1P0281GQ [0,0,0,1,0,1|2,0,0]=4 2262 B11R2.1826 OC(=O)C12CNCC(C1)C2 1P00HZ9O [0,0,0,1,0,1|1,0,0]=3 2263 B11R2.1826 OC(=O)C12NCCC(C1)C2 1P000EH8 [0,0,0,1,0,1|1,0,0]=3 2264 B11R2.1837 OC(=O)[C@@H]1NCC[C@H]2[C@@H]1C2 1P01JUYZ [0,0,0,1,0,1|1,0,0]=3 2265 B11R2.162 CO[C@@H]1C[C@H]2C[C@@H]1CC2=O 1P028OB8 [0,1,0,1,0,0|2,0,0]=4 2266 B11R2.738 O=C1NC2CC1C(C2O)O 1P019FDA [0,1,0,1,0,0|2,0,0]=4 2267 B11R2.738 O=C1N[C@@H]2C[C@H]1[C@H]([C@H]2O)O 1P01WTQ5 [0,1,0,1,0,0|2,0,0]=4 2268 B11R2.897 COC(=O)[C@@]12C[C@H]([C@@H]1C2)Br 1P028N9I [0,1,0,1,0,0|2,0,0]=4 2269 B11R2.901 COC(=O)C12CCC(C1)C2 1P001G8W [0,1,0,1,0,0|2,0,0]=4 2270 B11R2.911 COC(=O)[C@@H]1NC[C@@H]2[C@H]1C2 1P00I46M [0,1,0,1,0,0|1,0,0]=3 2271 B11R2.911 COC(=O)[C@H]1NC[C@@H]2[C@H]1C2 1P00IHRZ [0,1,0,1,0,0|1,0,0]=3 2272 B11R2.914 COC(=O)C1CC2C(C1)C2 1P01DX9U [0,1,0,1,0,0|2,0,0]=4 2273 B11R2.914 COC(=O)C1CC2C(C1)O2 1P00D5Z2 [0,1,0,1,0,0|1,0,0]=3 2274 B11R2.914 COC(=O)[C@@H]1C[C@@H]2[C@H](C1)O2 1P00IEPN [0,1,0,1,0,0|1,0,0]=3 2275 B11R2.169 CO[C@@H]1C[C@@H]2[C@H](C1)C(=O)C2 1P0287YZ [0,1,0,1,0,0|2,0,0]=4 2276 B11R2.201 O=C1OC(=O)C2CC1CC2 1P00EF2M [0,1,0,1,0,0|1,0,1]=4 2277 B11R2.221 OCC12CCC(C1)C(=O)N2 1P027ZPZ [0,1,0,1,0,0|2,0,0]=4 2278 B11R2.822 OC(=O)C1CC[C@H]2[C@@H]1CC2 1P028HZJ [0,1,0,1,0,0|2,0,0]=4 2279 B11R2.822 OC(=O)[C@@H]1NC[C@@H]2[C@H]1CC2 1P02870T [0,1,0,1,0,0|1,0,0]=3 2280 B11R2.822 OC(=O)[C@@H]1NC[C@H]2[C@@H]1CC2 1P028UBH [0,1,0,1,0,0|1,0,0]=3 2281 B11R2.842 OC(=O)C1CC2C(C1)CC2 1P01DL3I [0,1,0,1,0,0|2,0,0]=4 2282 B11R2.842 OC(=O)C1C[C@@H]2[C@H](C1)CC2 1P028U4C [0,1,0,1,0,0|2,0,0]=4 2283 B11R2.972 CO[C@@H]1C[C@@]2([C@H]1C2)C(=O)O 1P0206F2 [0,1,0,1,0,0|1,0,0]=3 2284 B11R2.1868 OC(=O)C1CCC2(C1)CC2 1P02050L [0,1,0,1,0,0|2,0,0]=4 2285 B11R2.1868 OC(=O)C1CCC2(C1)N=N2 1P01ELA6 [0,1,0,1,0,0|2,0,0]=4 2286 B11R2.1868 OC(=O)C1NCC2(C1)CC2 1P01XAAG [0,1,0,1,0,0|1,0,0]=3 2287 B11R2.1868 OC(=O)C1OCC2(C1)CC2 1P023HOU [0,1,0,1,0,0|2,0,0]=4 2288 B11R2.1868 OC(=O)[C@@H]1NCC2(C1)CC2 1P00HYJI [0,1,0,1,0,0|1,0,0]=3 2289 B11R2.1868 OC(=O)[C@H]1NCC2(C1)CC2 1P00IL7N [0,1,0,1,0,0|1,0,0]=3 2290 B11R2.684 O=C1C[C@@H]2C[C@H]1C[C@@]2(C)O 1P028GOH [0,1,0,1,0,0|2,0,0]=4 2291 B11R2.1051 CC1NC2(CC1C2)C(=O)O 1P028U8I [0,1,0,1,0,0|1,0,0]=3 2292 B11R2.1051 CC1OC2(CC1C2)C(=O)O 1P028S4G [0,1,0,1,0,0|2,0,0]=4 2293 B11R2.740 CN1CC2CC1(C2)C(=O)O 1P01FJM8 [0,1,0,1,0,0|1,0,0]=3 2294 B11R2.1864 OC(=O)C1CC2(CC1C2)F 1P0205Q6 [0,1,0,1,0,0|2,0,0]=4 2295 B11R2.1864 OC(=O)C1CC2(CC1C2)N 1P027W3Z [0,1,0,1,0,0|2,0,0]=4 2296 B11R2.2454 OC(=O)C12CCC(C1)(C2)N 1P029320 [0,1,0,1,0,0|2,0,0]=4 2297 B11R2.2454 OC(=O)C12CCC(C1)(C2)O 1P024UUQ [0,1,0,1,0,0|1,0,0]=3 2298 B11R2.2454 OC(=O)C12NCC(C1)(C2)C 1P01B62Y [0,1,0,1,0,0|1,0,0]=3 2299 B11R2.2454 OC(=O)C12OCC(C1)(C2)C 1P01FJHK [0,1,0,1,0,0|2,0,0]=4 2300 B11R2.2454 OC(=O)C12OCC(C1)(C2)F 1P0284PK [0,1,0,1,0,0|2,0,0]=4 2301 B11R2.2454 OC(=O)C12OCC(C1)(C2)N 1P024UUK [0,1,0,1,0,0|2,0,0]=4 2302 B11R2.820 OC(=O)C1(N)CC2CC1C2 1P028CT8 [0,1,0,1,0,0|2,0,0]=4 2303 B11R2.849 OC(=O)C1(N)CCC2C1C2 1P01FIWW [0,1,0,1,0,0|2,0,0]=4 2304 B11R2.1850 OC(=O)C1(C)CC2C(C1)C2 1P01AMNK [0,1,0,1,0,0|2,0,0]=4 2305 B7R0.16 BrC(C(=O)O)C(C)C 1P0036DQ [0,0,1,0,1,0|2,0,0]=4 2306 B7R0.16 Br[C@@H](C(=O)O)C(C)C 1P00G3NN [0,0,1,0,1,0|2,0,0]=4 2307 B7R0.16 Br[C@H](C(=O)O)C(C)C 1P003CVL [0,0,1,0,1,0|2,0,0]=4 2308 B7R0.16 CC(C(=O)O)C(C)C 1P007ZPC [0,0,1,0,1,0|2,0,0]=4 2309 B7R0.16 CC(C(=O)O)C(N)C 1P01AV78 [0,0,1,0,1,0|2,0,0]=4 2310 B7R0.16 CC(C(C(=O)O)C)O 1P00DDYP [0,0,1,0,1,0|1,0,0]=3 2311 B7R0.16 CC(C(C(=O)O)F)O 1P01BGEK [0,0,1,0,1,0|1,0,0]=3 2312 B7R0.16 CC(C(C(=O)O)N)O 1P01DL1Y [0,0,1,0,1,0|0,0,0]=2 2313 B7R0.16 CC(C(C(=O)O)O)N 1P028U2M [0,0,1,0,1,0|2,0,0]=4 2314 B7R0.16 C[C@@H](C(=O)O)C(C)C 1P002VES [0,0,1,0,1,0|2,0,0]=4 2315 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O 1P001J7L [0,0,1,0,1,0|0,0,0]=2 2316 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O 1P00IBMP [0,0,1,0,1,0|0,0,0]=2 2317 B7R0.16 C[C@@H]([C@H](C(=O)O)O)N 1P003B1L [0,0,1,0,1,0|2,0,0]=4 2318 B7R0.16 C[C@H](C(=O)O)C(C)C 1P001N9S [0,0,1,0,1,0|2,0,0]=4 2319 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O 1P00BY9J [0,0,1,0,1,0|1,0,0]=3 2320 B7R0.16 C[C@H]([C@@H](C(=O)O)N)Br 1P028AO9 [0,0,1,0,1,0|1,0,0]=3 2321 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O 1P00359M [0,0,1,0,1,0|0,0,0]=2 2322 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O 1P00IB51 [0,0,1,0,1,0|0,0,0]=2 2323 B7R0.16 C[C@H]([C@H](C(=O)O)N)F 1P01BVN1 [0,0,1,0,1,0|1,0,0]=3 2324 B7R0.16 C[C@H]([C@H](C(=O)O)N)O 1P002Q2X [0,0,1,0,1,0|0,0,0]=2 2325 B7R0.16 ClC(C(=O)O)C(C)C 1P019W9W [0,0,1,0,1,0|2,0,0]=4 2326 B7R0.16 Cl[C@H](C(=O)O)C(C)C 1P003D1T [0,0,1,0,1,0|2,0,0]=4 2327 B7R0.16 FC(C(=O)O)C(C)C 1P001Q6L [0,0,1,0,1,0|2,0,0]=4 2328 B7R0.16 NC(C(=O)N)C(C)C 1P00IMQN [0,0,1,0,1,0|2,0,0]=4 2329 B7R0.16 NC(C(=O)O)C(=O)O 1P0083BN [0,0,1,0,1,0|1,0,1]=4 2330 B7R0.16 NC(C(=O)O)C(C)C 1P0035KT [0,0,1,0,1,0|1,0,0]=3 2331 B7R0.16 N[C@@H](C(=O)N)C(C)C 1P0014U9 [0,0,1,0,1,0|2,0,0]=4 2332 B7R0.16 N[C@@H](C(=O)O)C(C)C 1P0037JS [0,0,1,0,1,0|1,0,0]=3 2333 B7R0.16 N[C@H](C(=O)N)C(C)C 1P00I645 [0,0,1,0,1,0|2,0,0]=4 2334 B7R0.16 N[C@H](C(=O)O)C(C)C 1P00I9OW [0,0,1,0,1,0|1,0,0]=3 2335 B7R0.16 N[C@H](C(=O)O)C(F)F 1P01G31Q [0,0,1,0,1,0|2,0,0]=4 2336 B7R0.16 N[C@H](C(=O)O)[C@@H](N)C 1P028L4U [0,0,1,0,1,0|1,0,0]=3 2337 B7R0.16 N[C@H](C(=O)O)[C@H](N)C 1P00C212 [0,0,1,0,1,0|1,0,0]=3 2338 B7R0.16 OC(C(=O)O)C(C)C 1P003HUP [0,0,1,0,1,0|2,0,0]=4 2339 B7R0.16 O[C@@H](C(=O)O)C(C)C 1P001ZWR [0,0,1,0,1,0|2,0,0]=4 2340 B7R0.16 O[C@H](C(=O)O)C(C)C 1P007V6T [0,0,1,0,1,0|2,0,0]=4 2341 B7R0.16 SC(C(=O)O)C(C)C 1P0019CW [0,0,1,0,1,0|2,0,0]=4 2342 B7R0.16 [15NH2][13C@H]([13C](=O)O)[13CH]([13CH3])[13CH3] 1P00C25L [0,0,1,0,1,0|1,0,0]=3 2343 B7R1.8 CC1CNC1CO 1P027WZ6 [1,0,0,0,1,0|1,0,1]=4 2344 B7R1.8 OC[C@@H]1CC[C@H]1O 1P027UXG [1,0,0,0,1,0|1,0,1]=4 2345 B7R1.8 OC[C@@H]1NC[C@H]1O 1P028XO4 [1,0,0,0,1,0|0,0,1]=3 2346 B7R1.10 BrCC1CC(C1)O 1P01C40X [1,0,0,0,1,0|1,0,1]=4 2347 B7R1.10 BrC[C@@H]1C[C@H](C1)O 1P0203BD [1,0,0,0,1,0|1,0,1]=4 2348 B7R1.10 C=CC1CC(C1)N 1P028I7H [1,0,0,0,1,0|2,0,0]=4 2349 B7R1.10 CC1CC(N1)CO 1P028MYQ [1,0,0,0,1,0|1,0,1]=4 2350 B7R1.10 CCC1CC(C1)O 1P02830K [1,0,0,0,1,0|1,0,1]=4 2351 B7R1.10 CNC1CC(C1)O 1P00AB8V [1,0,0,0,1,0|2,0,0]=4 2352 B7R1.10 CNC1CC(C1)O 1P019TYJ [1,0,0,0,1,0|2,0,0]=4 2353 B7R1.10 CN[C@@H]1C[C@@H](C1)O 1P001DAF [1,0,0,0,1,0|2,0,0]=4 2354 B7R1.10 CN[C@@H]1C[C@H](C1)O 1P001DB7 [1,0,0,0,1,0|2,0,0]=4 2355 B7R1.10 CN[C@@H]1C[C@H](C1)O 1P019GR3 [1,0,0,0,1,0|2,0,0]=4 2356 B7R1.10 COC1CC(C1)O 1P01A5EH [1,0,0,0,1,0|2,0,0]=4 2357 B7R1.10 CO[C@@H]1C[C@@H](C1)O 1P01BCAS [1,0,0,0,1,0|2,0,0]=4 2358 B7R1.10 CO[C@@H]1C[C@H](C1)O 1P01BXZ5 [1,0,0,0,1,0|2,0,0]=4 2359 B7R1.10 CSC1CC(C1)O 1P01AVEC [1,0,0,0,1,0|2,0,0]=4 2360 B7R1.10 CS[C@@H]1C[C@@H](C1)O 1P01BRI3 [1,0,0,0,1,0|2,0,0]=4 2361 B7R1.10 CS[C@@H]1C[C@H](C1)O 1P0281VN [1,0,0,0,1,0|2,0,0]=4 2362 B7R1.10 FCC1CC(C1)O 1P020479 [1,0,0,0,1,0|1,0,1]=4 2363 B7R1.10 FC[C@@H]1C[C@@H](C1)O 1P01JUID [1,0,0,0,1,0|1,0,1]=4 2364 B7R1.10 NCC1CC(C1)O 1P001XKC [1,0,0,0,1,0|1,0,1]=4 2365 B7R1.10 NCC1CC(C1)O 1P009WZY [1,0,0,0,1,0|1,0,1]=4 2366 B7R1.10 NC[C@@H]1C[C@@H](C1)O 1P001CGT [1,0,0,0,1,0|1,0,1]=4 2367 B7R1.10 NC[C@@H]1C[C@@H](C1)O 1P00H0OB [1,0,0,0,1,0|1,0,1]=4 2368 B7R1.10 NC[C@@H]1C[C@H](C1)O 1P001CVZ [1,0,0,0,1,0|1,0,1]=4 2369 B7R1.10 O=CC1CC(=C)C1 1P00925S [1,0,0,0,1,0|1,0,1]=4 2370 B7R1.10 O=C[C@@H]1C[C@H](C1)F 1P028286 [1,0,0,0,1,0|1,0,0]=3 2371 B7R1.10 OC1CC(C1)C#N 1P0028QB [1,0,0,0,1,0|1,0,1]=4 2372 B7R1.10 OC1CN(C1)N=O 1P027WMH [1,0,0,0,1,0|2,0,0]=4 2373 B7R1.10 OCC1CC(C1)Br 1P020M75 [1,0,0,0,1,0|1,0,1]=4 2374 B7R1.10 OCC1CC(C1)C 1P01B7GI [1,0,0,0,1,0|1,0,1]=4 2375 B7R1.10 OCC1CC(C1)Cl 1P001RPD [1,0,0,0,1,0|1,0,1]=4 2376 B7R1.10 OCC1CC(C1)F 1P00HJA6 [1,0,0,0,1,0|1,0,1]=4 2377 B7R1.10 OCC1CC(C1)N 1P000US1 [1,0,0,0,1,0|1,0,1]=4 2378 B7R1.10 OCC1CC(C1)N 1P009DFP [1,0,0,0,1,0|1,0,1]=4 2379 B7R1.10 OCC1CC(C1)O 1P000MRF [1,0,0,0,1,0|0,0,1]=3 2380 B7R1.10 OC[C@@H]1C[C@@H](C1)N 1P009I21 [1,0,0,0,1,0|1,0,1]=4 2381 B7R1.10 OC[C@@H]1C[C@@H](C1)N 1P009KC1 [1,0,0,0,1,0|1,0,1]=4 2382 B7R1.10 OC[C@@H]1C[C@@H](C1)O 1P007T71 [1,0,0,0,1,0|0,0,1]=3 2383 B7R1.10 OC[C@@H]1C[C@H](C1)F 1P020492 [1,0,0,0,1,0|1,0,1]=4 2384 B7R1.10 OC[C@@H]1C[C@H](C1)N 1P000YJ1 [1,0,0,0,1,0|1,0,1]=4 2385 B7R1.10 OC[C@@H]1C[C@H](C1)N 1P00HHQV [1,0,0,0,1,0|1,0,1]=4 2386 B7R1.10 OC[C@@H]1C[C@H](C1)O 1P024UVD [1,0,0,0,1,0|0,0,1]=3 2387 B7R1.10 O[C@@H]1C[C@@H](C1)C#N 1P008AIQ [1,0,0,0,1,0|1,0,1]=4 2388 B7R1.10 O[C@@H]1C[C@H](C1)C#N 1P00488H [1,0,0,0,1,0|1,0,1]=4 2389 B7R1.18 CC(=O)C1CCC1 1P003PKG [1,0,0,0,1,0|1,0,0]=3 2390 B7R1.18 CC(=O)C1CNC1 1P00A20O [1,0,0,0,1,0|2,0,0]=4 2391 B7R1.18 CC(=O)C1COC1 1P01DY8T [1,0,0,0,1,0|2,0,0]=4 2392 B7R1.18 CC(=O)C1CSC1 1P01E9GS [1,0,0,0,1,0|2,0,0]=4 2393 B7R1.18 CC(=O)N1CCC1 1P00DLB1 [1,0,0,0,1,0|2,0,0]=4 2394 B7R1.18 CC(C1CCC1)O 1P0056LW [1,0,0,0,1,0|1,0,1]=4 2395 B7R1.18 CC(C1CCN1)O 1P027YMT [1,0,0,0,1,0|1,0,1]=4 2396 B7R1.18 C[C@@H](C1CCC1)O 1P01BSIR [1,0,0,0,1,0|1,0,1]=4 2397 B7R1.18 ClC(=O)C1CCC1 1P00353Y [1,0,0,0,1,0|1,0,0]=3 2398 B7R1.18 ClC(=O)N1CCC1 1P01DX42 [1,0,0,0,1,0|2,0,0]=4 2399 B7R1.18 ClS(=O)C1CCC1 1P01EJ1C [1,0,0,0,1,0|2,0,0]=4 2400 B7R1.18 NC(=N)C1CCC1 1P005G8L [1,0,0,0,1,0|2,0,0]=4 2401 B7R1.18 NC(=O)C1CCC1 1P001MYW [1,0,0,0,1,0|1,0,0]=3 2402 B7R1.18 NC(=O)C1CCN1 1P000VNK [1,0,0,0,1,0|1,0,0]=3 2403 B7R1.18 NC(=O)C1CNC1 1P000N1N [1,0,0,0,1,0|2,0,0]=4 2404 B7R1.18 NC(=O)C1CNC1 1P008PMO [1,0,0,0,1,0|2,0,0]=4 2405 B7R1.18 NC(=O)C1COC1 1P01DGLG [1,0,0,0,1,0|2,0,0]=4 2406 B7R1.18 NC(=O)N1CCC1 1P01LJEJ [1,0,0,0,1,0|2,0,0]=4 2407 B7R1.18 NC(=O)[C@@H]1CCN1 1P01G17Q [1,0,0,0,1,0|1,0,0]=3 2408 B7R1.18 NC(=S)C1CCC1 1P001PAG [1,0,0,0,1,0|1,1,0]=4 2409 B7R1.18 NS(=O)C1CCC1 1P028GQB [1,0,0,0,1,0|2,0,0]=4 2410 B7R1.18 OB(C1CCC1)O 1P003541 [1,0,0,0,1,0|1,0,1]=4 2411 B7R1.18 OC(=O)C1=CCC1 1P00BJ3Y [1,0,0,0,1,0|0,0,2]=4 2412 B7R1.18 OC(=O)C1CCC1 1P00353Z [1,0,0,0,1,0|0,0,0]=2 2413 B7R1.18 OC(=O)C1CCN1 1P002R80 [1,0,0,0,1,0|0,0,0]=2 2414 B7R1.18 OC(=O)C1CCO1 1P0036EM [1,0,0,0,1,0|1,0,0]=3 2415 B7R1.18 OC(=O)C1CNC1 1P0008FD [1,0,0,0,1,0|1,0,0]=3 2416 B7R1.18 OC(=O)C1CNC1 1P003429 [1,0,0,0,1,0|1,0,0]=3 2417 B7R1.18 OC(=O)C1COC1 1P000AR0 [1,0,0,0,1,0|1,0,0]=3 2418 B7R1.18 OC(=O)C1CSC1 1P005KXP [1,0,0,0,1,0|1,0,0]=3 2419 B7R1.18 OC(=O)[C@@H]1CCN1 1P003827 [1,0,0,0,1,0|0,0,0]=2 2420 B7R1.18 OC(=O)[C@@H]1CCO1 1P01JUQJ [1,0,0,0,1,0|1,0,0]=3 2421 B7R1.18 OC(=O)[C@H]1CCN1 1P005DGN [1,0,0,0,1,0|0,0,0]=2 2422 B7R1.18 OC(=O)[C@H]1CCN1 1P00EIWE [1,0,0,0,1,0|0,0,0]=2 2423 B7R1.18 OC(=O)[C@H]1CCO1 1P01JUNT [1,0,0,0,1,0|1,0,0]=3 2424 B7R1.18 [O-]S(=O)C1CCC1 1P01EJ0F [1,0,0,0,1,0|1,0,1]=4 2425 B7R1.18 [O-][N+](=O)C1CCC1 1P002SWY [1,0,0,0,1,0|1,0,1]=4 2426 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1P0286F6 [0,0,0,0,2,0|2,0,0]=4 2427 B7R1.12 CC1CC1C(=O)C 1P01ALPC [0,0,0,0,2,0|2,0,0]=4 2428 B7R1.12 CC1CC1C(=O)Cl 1P00EII7 [0,0,0,0,2,0|2,0,0]=4 2429 B7R1.12 CC1CC1C(=O)N 1P00GA8W [0,0,0,0,2,0|2,0,0]=4 2430 B7R1.12 CC1CC1C(=O)O 1P002Z71 [0,0,0,0,2,0|1,0,0]=3 2431 B7R1.12 CC1CC1C(=O)O 1P00EK9C [0,0,0,0,2,0|1,0,0]=3 2432 B7R1.12 C[C@@H]1C[C@@H]1C(=O)C 1P028NP2 [0,0,0,0,2,0|2,0,0]=4 2433 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 1P00BJDC [0,0,0,0,2,0|1,0,0]=3 2434 B7R1.12 C[C@@H]1C[C@H]1C(=O)C 1P028MO8 [0,0,0,0,2,0|2,0,0]=4 2435 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 1P00ELZP [0,0,0,0,2,0|1,0,0]=3 2436 B7R1.12 C[C@@H]1O[C@H]1C(=O)O 1P01B6TE [0,0,0,0,2,0|2,0,0]=4 2437 B7R1.12 C[C@H]1C[C@@H]1C(=O)C 1P028O3I [0,0,0,0,2,0|2,0,0]=4 2438 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 1P00ARLC [0,0,0,0,2,0|1,0,0]=3 2439 B7R1.12 C[C@H]1C[C@H]1C(=O)C 1P028FLW [0,0,0,0,2,0|2,0,0]=4 2440 B7R1.12 C[C@H]1C[C@H]1C(=O)O 1P002ZI0 [0,0,0,0,2,0|1,0,0]=3 2441 B7R1.12 F[C@H]1C[C@@H]1C(=O)O 1P009DKG [0,0,0,0,2,0|1,0,0]=3 2442 B7R1.12 F[C@H]1C[C@H]1C(=O)O 1P00HB72 [0,0,0,0,2,0|1,0,0]=3 2443 B7R1.12 NC(=O)[C@H]1C[C@H]1F 1P000PAK [0,0,0,0,2,0|2,0,0]=4 2444 B7R1.12 OC(=O)C1CC1=C 1P01AELS [0,0,0,0,2,0|1,0,1]=4 2445 B7R1.12 OC(=O)C1CC1F 1P001PI5 [0,0,0,0,2,0|1,0,0]=3 2446 B7R1.12 OC(=O)[C@@H]1C[C@@H]1F 1P000X7B [0,0,0,0,2,0|1,0,0]=3 2447 B7R1.12 OC(=O)[C@@H]1C[C@@H]1I 1P01JUSO [0,0,0,0,2,0|1,0,0]=3 2448 B7R1.12 OC(=O)[C@@H]1C[C@H]1Cl 1P028JBO [0,0,0,0,2,0|1,0,0]=3 2449 B7R1.12 OC(=O)[C@@H]1C[C@H]1F 1P001XKM [0,0,0,0,2,0|1,0,0]=3 2450 B7R1.12 OC(=O)[C@H]1C[C@@H]1Br 1P028QME [0,0,0,0,2,0|1,0,0]=3 2451 B7R1.12 OC(=O)[C@H]1C[C@@H]1F 1P001XKL [0,0,0,0,2,0|1,0,0]=3 2452 B7R1.12 OC(=O)[C@H]1C[C@H]1F 1P000X7C [0,0,0,0,2,0|1,0,0]=3 2453 B7R1.12 OC(=O)[C@H]1C[C@H]1I 1P00182G [0,0,0,0,2,0|1,0,0]=3 2454 B9R0.4 C=CCNC(CC(=O)O)C 1P01JMWK [0,0,1,0,0,1|1,0,1]=4 2455 B9R0.4 CCCCC(CC(=O)O)C 1P00DEMS [0,0,1,0,0,1|2,0,0]=4 2456 B9R0.4 CCCC[C@@H](CC(=O)O)C 1P00E9G5 [0,0,1,0,0,1|2,0,0]=4 2457 B9R0.4 CCCNC(CC(=O)O)C 1P01JMXF [0,0,1,0,0,1|1,0,0]=3 2458 B9R0.4 NCCNC(CC(=O)O)C 1P01JMVM [0,0,1,0,0,1|1,0,0]=3 2459 B9R0.4 NCCSC(CC(=O)O)C 1P028G9Z [0,0,1,0,0,1|2,0,0]=4 2460 B9R0.4 OCCC[C@H](CC(=O)[O-])C 1P0285TK [0,0,1,0,0,1|1,0,1]=4 2461 B9R0.4 OCCNC(CC(=O)O)C 1P003YA8 [0,0,1,0,0,1|0,0,0]=2 2462 B9R0.14 CCCC(CC(=O)O)CC 1P00C0N9 [0,0,1,0,0,1|2,0,0]=4 2463 B9R0.55 CC(CCCCC(=O)O)C 1P00GS4R [0,0,1,0,0,1|2,0,0]=4 2464 B9R0.55 CC(CCCCC(=O)O)N 1P01AJKO [0,0,1,0,0,1|2,0,0]=4 2465 B9R0.55 CC(CCCCC(=O)[O-])O 1P0286L6 [0,0,1,0,0,1|1,0,1]=4 2466 B9R0.55 CC(CCOCC(=O)O)C 1P006C8E [0,0,1,0,0,1|2,0,0]=4 2467 B9R0.55 CC(CCSCC(=O)O)C 1P019XPV [0,0,1,0,0,1|2,0,0]=4 2468 B9R0.55 CC(CNCCC(=O)O)C 1P019VWL [0,0,1,0,0,1|1,0,0]=3 2469 B9R0.55 CC(COCCC(=O)O)C 1P019NR0 [0,0,1,0,0,1|2,0,0]=4 2470 B9R0.55 CC(CSCCC(=O)O)C 1P00BV6K [0,0,1,0,0,1|2,0,0]=4 2471 B9R0.55 CC(NCCCC(=O)O)C 1P019L2M [0,0,1,0,0,1|2,0,0]=4 2472 B9R0.55 CN(CCNCC(=O)O)C 1P006XOB [0,0,1,0,0,1|2,0,0]=4 2473 B9R0.55 OC(=O)CCCOC(C)C 1P01A6TS [0,0,1,0,0,1|2,0,0]=4 2474 B9R1.2 CC1CC(CO)CNC1 1P01C4AW [1,0,0,0,0,1|1,0,1]=4 2475 B9R1.2 CC[C@@H]1C[C@H](O)CCN1 1P01EI5S [1,0,0,0,0,1|1,0,1]=4 2476 B9R1.2 COC1CC(O)CNC1 1P028LPJ [1,0,0,0,0,1|2,0,0]=4 2477 B9R1.2 CO[C@@H]1C[C@@H](O)CNC1 1P0286TG [1,0,0,0,0,1|2,0,0]=4 2478 B9R1.2 CO[C@@H]1C[C@H](O)CNC1 1P024SKV [1,0,0,0,0,1|2,0,0]=4 2479 B9R1.2 CO[C@H]1C[C@@H](O)CNC1 1P0283WS [1,0,0,0,0,1|2,0,0]=4 2480 B9R1.2 CO[C@H]1C[C@H](O)CNC1 1P024SKU [1,0,0,0,0,1|2,0,0]=4 2481 B9R1.2 O=CC1CCCC(C1)C 1P000VEJ [1,0,0,0,0,1|2,0,0]=4 2482 B9R1.2 O=CC1CCCC(C1)F 1P01BIXF [1,0,0,0,0,1|2,0,0]=4 2483 B9R1.2 O=CC1CCOC(C1)C 1P01A5EP [1,0,0,0,0,1|2,0,0]=4 2484 B9R1.2 OC[C@@H]1CCC[C@@H](C1)O 1P01EJ3P [1,0,0,0,0,1|1,0,1]=4 2485 B9R1.2 OC[C@@H]1NCC[C@@H](C1)O 1P020IRI [1,0,0,0,0,1|0,0,1]=3 2486 B9R1.2 OC[C@H]1CCC[C@H](C1)O 1P027UDF [1,0,0,0,0,1|1,0,1]=4 2487 B9R1.2 OC[C@H]1NCC[C@H](C1)O 1P021VKQ [1,0,0,0,0,1|0,0,1]=3 2488 B9R1.2 OC[C@H]1OCC[C@H](C1)O 1P027Y0R [1,0,0,0,0,1|1,0,1]=4 2489 B9R1.13 CC(=O)CC1CCCC1 1P008SLB [1,0,0,0,0,1|2,0,0]=4 2490 B9R1.13 CC(=O)CC1CCCO1 1P007EYH [1,0,0,0,0,1|2,0,0]=4 2491 B9R1.13 CC(=O)NC1CCCC1 1P007O81 [1,0,0,0,0,1|2,0,0]=4 2492 B9R1.13 CC(=O)OC1CCCO1 1P001VUK [1,0,0,0,0,1|2,0,0]=4 2493 B9R1.13 CC(CC1CCCN1)O 1P01A2LX [1,0,0,0,0,1|1,0,1]=4 2494 B9R1.13 ClC(=O)CC1CCCO1 1P01BDV7 [1,0,0,0,0,1|2,0,0]=4 2495 B9R1.13 NC(=O)CC1CCCC1 1P019LSV [1,0,0,0,0,1|2,0,0]=4 2496 B9R1.13 NC(=O)CC1CCCN1 1P01A4LJ [1,0,0,0,0,1|1,0,0]=3 2497 B9R1.13 NC(=O)C[C@@H]1CCCN1 1P028E6Z [1,0,0,0,0,1|1,0,0]=3 2498 B9R1.13 NC(=O)C[C@H]1CCCN1 1P0240HS [1,0,0,0,0,1|1,0,0]=3 2499 B9R1.13 NC(=O)NC1CCCC1 1P000J5N [1,0,0,0,0,1|2,0,0]=4 2500 B9R1.13 OC(=O)C=C1CCCC1 1P002EXR [1,0,0,0,0,1|1,0,1]=4 2501 B9R1.13 OC(=O)CC1=CCCC1 1P007Q6E [1,0,0,0,0,1|1,0,1]=4 2502 B9R1.13 OC(=O)CC1CCC=C1 1P0012OZ [1,0,0,0,0,1|1,0,1]=4 2503 B9R1.13 OC(=O)CC1CCCC1 1P003PNA [1,0,0,0,0,1|1,0,0]=3 2504 B9R1.13 OC(=O)CC1CCCN1 1P005ESH [1,0,0,0,0,1|0,0,0]=2 2505 B9R1.13 OC(=O)CC1CCCO1 1P00BF6B [1,0,0,0,0,1|1,0,0]=3 2506 B9R1.13 OC(=O)CC1CNCC1 1P0036QT [1,0,0,0,0,1|2,0,0]=4 2507 B9R1.13 OC(=O)CC1CNCC1 1P00G8PC [1,0,0,0,0,1|2,0,0]=4 2508 B9R1.13 OC(=O)CC1COCC1 1P0019RH [1,0,0,0,0,1|2,0,0]=4 2509 B9R1.13 OC(=O)CC1CSCC1 1P01B2MI [1,0,0,0,0,1|2,0,0]=4 2510 B9R1.13 OC(=O)CC1OCCO1 1P00VVZG [1,0,0,0,0,1|2,0,0]=4 2511 B9R1.13 OC(=O)CN1CCCC1 1P003F6L [1,0,0,0,0,1|2,0,0]=4 2512 B9R1.13 OC(=O)CN1CCCC1 1P00FDGP [1,0,0,0,0,1|2,0,0]=4 2513 B9R1.13 OC(=O)C[C@@H]1CCCN1 1P0037NF [1,0,0,0,0,1|0,0,0]=2 2514 B9R1.13 OC(=O)C[C@@H]1CCCN1 1P003D1B [1,0,0,0,0,1|0,0,0]=2 2515 B9R1.13 OC(=O)C[C@@H]1COCC1 1P001EAA [1,0,0,0,0,1|2,0,0]=4 2516 B9R1.13 OC(=O)C[C@H]1CCCN1 1P0038BU [1,0,0,0,0,1|0,0,0]=2 2517 B9R1.13 OC(=O)C[C@H]1CCCN1 1P00EKFJ [1,0,0,0,0,1|0,0,0]=2 2518 B9R1.13 OC(=O)C[C@H]1CCCO1 1P01C638 [1,0,0,0,0,1|1,0,0]=3 2519 B9R1.13 OC(=O)C[C@H]1CNCC1 1P0017PI [1,0,0,0,0,1|2,0,0]=4 2520 B9R1.13 OC(=O)C[C@H]1COCC1 1P001EA9 [1,0,0,0,0,1|2,0,0]=4 2521 B11R1.20 CC1CCC(CC1)CC(=O)O 1P003M8F [0,0,0,0,0,2|2,0,0]=4 2522 B11R1.20 CC1COC(CN1)CC(=O)O 1P021YB8 [0,0,0,0,0,2|2,0,0]=4 2523 B11R1.20 C[C@@H]1CC[C@H](CC1)CC(=O)O 1P005VUF [0,0,0,0,0,2|2,0,0]=4 2524 B11R1.20 C[C@@H]1CC[C@H](OC1)CC(=O)O 1P028IZV [0,0,0,0,0,2|2,0,0]=4 2525 B11R1.20 C[C@@H]1CO[C@H](CO1)CC(=O)O 1P028AB3 [0,0,0,0,0,2|2,0,0]=4 2526 B11R1.20 FC1CCC(CC1)CC(=O)O 1P01SRWJ [0,0,0,0,0,2|2,0,0]=4 2527 B11R1.20 NC1CCC(CC1)CC(=O)O 1P000PYF [0,0,0,0,0,2|2,0,0]=4 2528 B11R1.20 NC1CCC(CC1)CC(=O)O 1P01JN6I [0,0,0,0,0,2|2,0,0]=4 2529 B11R1.20 N[C@@H]1CC[C@@H](CC1)CC(=O)O 1P02099A [0,0,0,0,0,2|2,0,0]=4 2530 B11R1.20 N[C@@H]1CC[C@H](CC1)CC(=O)O 1P00ID6Y [0,0,0,0,0,2|2,0,0]=4 2531 B11R1.20 OC1CCC(CC1)CC(=O)O 1P003WOK [0,0,0,0,0,2|1,0,0]=3 2532 B11R1.20 OC1CCC(CC1)NC(=O)C 1P002NFL [0,0,0,0,0,2|2,0,0]=4 2533 B11R1.20 OC1CCC(CC1)NC(=O)N 1P01A9BU [0,0,0,0,0,2|2,0,0]=4 2534 B11R1.20 OC1CCN(CC1)CC(=O)O 1P001YCF [0,0,0,0,0,2|2,0,0]=4 2535 B11R1.20 OC1CCN(CC1)CC(=O)O 1P019WTE [0,0,0,0,0,2|2,0,0]=4 2536 B11R1.20 OC1CCN(CC1)CC(=O)O 1P0288JY [0,0,0,0,0,2|2,0,0]=4 2537 B11R1.20 O[C@@H]1CC[C@@H](CC1)CC(=O)O 1P003CGD [0,0,0,0,0,2|1,0,0]=3 2538 B11R1.20 O[C@@H]1CC[C@H](CC1)NC(=O)C 1P003VED [0,0,0,0,0,2|2,0,0]=4 2539 B11R1.565 CC1CCCC(CC1)C(=O)O 1P028MI7 [0,0,0,0,0,2|2,0,0]=4 2540 B11R1.565 NC1CCCC(CC1)C(=O)O 1P028727 [0,0,0,0,0,2|2,0,0]=4 2541 B11R1.75 NC1CCC(C1)CCC(=O)O 1P028W94 [0,0,0,0,0,2|2,0,0]=4 2542 B11R1.157 CC1CCCC(C1)CC(=O)O 1P01A967 [0,0,0,0,0,2|2,0,0]=4 2543 B11R1.157 CC1CNCC(C1)CC(=O)O 1P01AUZK [0,0,0,0,0,2|1,0,0]=3 2544 B11R1.157 NC1CC(CC(=O)O)OCC1 1P028WKR [0,0,0,0,0,2|2,0,0]=4 2545 B11R1.157 NC1CCCC(C1)CC(=O)O 1P0282VC [0,0,0,0,0,2|2,0,0]=4 2546 B11R1.497 OC1CNCCN(C1)C(=O)C 1P00HZ39 [0,0,0,0,0,2|2,0,0]=4