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B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [0,0,0,0,0,0|2,0,0]=2 17 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,0,0,0,0,0|3,0,0]=3 18 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [0,0,0,0,0,0|2,0,0]=2 20 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,0,0,0,0,0|2,0,1]=3 21 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,0,0,0,0,0|2,0,1]=3 22 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,0,0,0,0,0|2,0,1]=3 23 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,0,0,0,0,0|2,0,1]=3 25 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [0,0,0,0,0,0|2,0,0]=2 26 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,0,0,0,0,0|2,0,1]=3 27 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,0,0,0,0,0|2,0,1]=3 28 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,0,0,0,0,0|3,0,1]=4 31 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.2 CC(C)CC(C)C#N Z415654744 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.2 CC(C)CC(C)CO Z1198147790 [1,0,0,0,0,0|1,0,1]=3 34 B7R0.2 CC(C)CC(N)C#N Z449369050 [1,0,0,0,0,0|1,0,1]=3 35 B7R0.2 CC(C)CC(N)CN Z425861052 [1,0,0,0,0,0|1,0,1]=3 36 B7R0.2 CC(C)CC(N)CO Z734151210 [1,0,0,0,0,0|0,0,1]=2 37 B7R0.2 CC(C)CC(O)CN Z1259162114 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.2 CN(C)C/C(=N/O)/N Z432067012 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.2 CN(C)CC(N)CO Z2092369044 [1,0,0,0,0,0|1,0,1]=3 40 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [1,0,0,0,0,0|1,0,2]=4 41 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [1,0,0,0,0,0|1,0,2]=4 42 B7R0.5 C=CCC(N)C(=O)O Z317024964 [1,0,0,0,0,0|0,0,2]=3 43 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [1,0,0,0,0,0|0,0,2]=3 44 B7R0.5 CC(CCN)C(=O)O Z2298167292 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,0,0,0,0,0|0,0,0]=1 47 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,0,0,0,0,0|0,0,0]=1 48 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,0,0,0,0,0|0,0,0]=1 49 B7R0.5 CCNC(C)C(=O)O Z3181996310 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.5 CCOC(C)C(=O)O Z316258934 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.5 CNCC(C)C(=O)O Z1270387301 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.5 COCC(C)C(=O)O Z431541094 [1,0,0,0,0,0|2,0,0]=3 53 B7R0.5 COCC(N)C(=O)O Z1613478163 [1,0,0,0,0,0|1,0,0]=2 54 B7R0.5 CSCC(C)C(=O)O Z732206684 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.5 CSCC(N)C(=O)O Z317025996 [1,0,0,0,0,0|1,0,0]=2 56 B7R0.5 NC(CCF)C(=O)O Z2470036329 [1,0,0,0,0,0|1,0,0]=2 57 B7R0.5 NC(CCO)C(=O)O Z234896487 [1,0,0,0,0,0|1,0,0]=2 58 B7R0.5 NCCC(F)C(=O)O Z3235903750 [1,0,0,0,0,0|2,0,0]=3 59 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [1,0,0,0,0,0|1,0,0]=2 60 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [1,0,0,0,0,0|2,0,0]=3 61 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [1,0,0,0,0,0|1,0,0]=2 62 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [1,0,0,0,0,0|1,0,0]=2 63 B7R0.6 CC(=O)CCC(=O)O Z104477318 [1,0,0,0,0,0|1,0,1]=3 64 B7R0.6 CC(=O)NCC(=O)O Z85886676 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.6 CC(=O)NCC(C)O Z353603952 [1,0,0,0,0,0|3,0,0]=4 66 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [1,0,0,0,0,0|0,0,2]=3 67 B7R0.6 CC(C)CCC(=N)N Z2522503133 [1,0,0,0,0,0|2,0,0]=3 68 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,0,0,0,0,0|0,0,0]=1 69 B7R0.6 CC(C)CNC(=O)N Z56895708 [1,0,0,0,0,0|2,0,0]=3 70 B7R0.6 CC(C)NCC(=O)N Z56969693 [1,0,0,0,0,0|2,0,0]=3 71 B7R0.6 CC(C)NCC(=O)O Z359419672 [1,0,0,0,0,0|1,0,0]=2 72 B7R0.6 CC(C)OCC(=N)N Z1511495251 [1,0,0,0,0,0|3,0,0]=4 73 B7R0.6 CC(C)OCC(=O)O Z316259244 [1,0,0,0,0,0|1,0,0]=2 74 B7R0.6 CC(C)SCC(=O)O Z214812600 [1,0,0,0,0,0|1,0,0]=2 75 B7R0.6 CC(N)CCC(=O)O Z1235963367 [1,0,0,0,0,0|1,0,0]=2 76 B7R0.6 CC(N)CCS(=O)C Z1269750451 [1,0,0,0,0,0|3,0,0]=4 77 B7R0.6 CC(O)CCC(=O)O Z838959470 [1,0,0,0,0,0|1,0,0]=2 78 B7R0.6 CC(O)CNC(C)C Z138692704 [1,0,0,0,0,0|2,0,1]=4 79 B7R0.6 CN(C)CCC(=N)N Z2582511037 [1,0,0,0,0,0|3,0,0]=4 80 B7R0.6 CN(C)CCC(=O)N Z168912842 [1,0,0,0,0,0|2,0,0]=3 81 B7R0.6 CN(C)CCC(=O)O Z168912830 [1,0,0,0,0,0|1,0,0]=2 82 B7R0.6 CN(C)CCC(=S)N Z370706836 [1,0,0,0,0,0|2,1,0]=4 83 B7R0.6 CS(=O)CCC(=O)O Z667974346 [1,0,0,0,0,0|2,0,0]=3 84 B7R0.6 O=C(O)CCC(=O)O Z57127453 [1,0,0,0,0,0|2,0,1]=4 85 B9R0.10 CC(C)CC(C)S(=O)(=O)N Z954606604 [0,1,0,0,0,0|2,0,1]=4 86 B9R0.10 CC(C)CC(N)C(C)(C)C Z1815149170 [0,1,0,0,0,0|2,0,1]=4 87 B9R0.11 CC(=O)C(C)(C)CN(C)C Z1259162017 [0,1,0,0,0,0|3,0,0]=4 88 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [0,1,0,0,0,0|2,0,1]=4 89 B9R0.11 CC(C)(CC(F)F)C(=O)O Z1321944873 [0,1,0,0,0,0|3,0,0]=4 90 B9R0.11 CC(C)CC(C)(C)C(=O)O Z995179602 [0,1,0,0,0,0|1,0,0]=2 91 B9R0.11 CC(C)CC(C)(N)C(=O)N Z477337822 [0,1,0,0,0,0|1,0,0]=2 92 B9R0.11 CC(C)CC(C)(N)C(=O)O Z4767745729 [0,1,0,0,0,0|0,0,0]=1 93 B9R0.11 CC(C)OC(C)(C)C(=O)O Z803494892 [0,1,0,0,0,0|2,0,0]=3 94 B9R0.11 CN(C)CC(C)(C)C(=O)O Z2941395068 [0,1,0,0,0,0|2,0,0]=3 95 B9R0.23 CCC(=O)C(C)CC(C)C Z1138187020 [0,1,0,0,0,0|2,0,0]=3 96 B9R0.23 CNC(=O)C(N)CC(C)C Z815264052 [0,1,0,0,0,0|1,0,0]=2 97 B9R0.23 COC(=O)C(C)CC(=O)C Z838956118 [0,1,0,0,0,0|2,0,1]=4 98 B9R0.23 COC(=O)C(N)CC(C)C Z56960272 [0,1,0,0,0,0|0,0,0]=1 99 B9R0.23 COC(=O)C(N)CN(C)C Z2096088400 [0,1,0,0,0,0|1,0,0]=2 100 B9R0.23 COC(=O)C(O)CC(C)C Z965047572 [0,1,0,0,0,0|1,0,0]=2 101 B9R0.39 CC(C)CC(CN)C(=O)O Z1948934651 [0,1,0,0,0,0|0,0,0]=1 102 B9R0.39 CCC(CC(C)C)C(=O)O Z756391140 [0,1,0,0,0,0|1,0,0]=2 103 B9R0.39 CCC(CC(F)F)C(=O)O Z1321943682 [0,1,0,0,0,0|3,0,0]=4 104 B9R0.39 CCC(NC(C)C)C(=O)O Z2306604116 [0,1,0,0,0,0|2,0,0]=3 105 B9R0.39 COC(CC(C)C)C(=O)O Z1205496164 [0,1,0,0,0,0|1,0,0]=2 106 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,1,0,0,0,0|2,0,1]=4 107 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [0,1,0,0,0,0|1,0,1]=3 108 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [0,1,0,0,0,0|0,0,0]=1 109 B9R0.42 CNC(C)CN(C)C(=O)C Z4994365145 [0,1,0,0,0,0|3,0,0]=4 110 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [0,1,0,0,0,0|1,0,1]=3 111 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [0,1,0,0,0,0|2,0,0]=3 112 B9R0.57 C/C(=C\C(C)(C)C)/C(=O)O Z1868430509 [0,1,0,0,0,0|1,0,2]=4 113 B9R0.57 CC(C)(C)CC(N)C(=O)O Z1492781338 [0,1,0,0,0,0|0,0,0]=1 114 B9R0.57 CC(C)(C)CC(O)C(=O)O Z1041195612 [0,1,0,0,0,0|1,0,0]=2 115 B9R0.57 CC(C)(Cl)CC(N)C(=O)O Z2432627366 [0,1,0,0,0,0|0,0,0]=1 116 B9R0.57 CC(CC(C)(C)C)C(=O)O Z1198149948 [0,1,0,0,0,0|1,0,0]=2 117 B9R0.57 CC(CC(C)(C)N)C(=O)O Z1742056030 [0,1,0,0,0,0|1,0,0]=2 118 B9R0.57 CC(CC(F)(F)F)C(=O)O Z1201619644 [0,1,0,0,0,0|3,0,0]=4 119 B9R0.57 CC(CS(=O)(=O)C)C(=O)O Z732206758 [0,1,0,0,0,0|3,0,0]=4 120 B9R0.57 CC(F)(F)CC(N)C(=O)O Z3325264018 [0,1,0,0,0,0|1,0,0]=2 121 B9R0.57 NC(CC(F)(F)F)C(=O)O Z1357902358 [0,1,0,0,0,0|2,0,0]=3 122 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Z1198149799 [0,1,0,0,0,0|3,0,0]=4 123 B9R0.79 CC(C)C(C)C(N)C(=O)O Z1203580293 [0,1,0,0,0,0|0,0,0]=1 124 B9R0.79 CC(C)C(N)C(O)C(=O)O Z1203578698 [0,1,0,0,0,0|1,0,0]=2 125 B9R0.79 CC(C)N(O)C(=O)C(=O)O Z1205656969 [0,1,0,0,0,0|2,0,1]=4 126 B9R1.35 CC1=NOC(C1)C(=O)O Z1198309057 [0,0,0,1,0,0|2,0,1]=4 127 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [0,0,0,1,0,0|1,0,2]=4 128 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [0,0,0,1,0,0|2,0,0]=3 129 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [0,0,0,1,0,0|1,0,0]=2 130 B9R1.35 CC1COC(C1)C(=O)O Z2785866738 [0,0,0,1,0,0|1,0,0]=2 131 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [0,0,0,1,0,0|3,0,0]=4 132 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [0,0,0,1,0,0|2,0,0]=3 133 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [0,0,0,1,0,0|2,0,0]=3 134 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [0,0,0,1,0,0|2,0,0]=3 135 B9R1.35 NC(=O)C1CC(CN1)O Z56960275 [0,0,0,1,0,0|2,0,0]=3 136 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F Z1203582968 [0,0,0,1,0,0|2,0,0]=3 137 B9R1.35 NC(=O)[C@H]1CC[C@H](C1)N Z2238896801 [0,0,0,1,0,0|3,0,0]=4 138 B9R1.35 NC1C=CC(C1)C(=O)O Z1350606478 [0,0,0,1,0,0|2,0,1]=4 139 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [0,0,0,1,0,0|2,0,0]=3 140 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [0,0,0,1,0,0|2,0,0]=3 141 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [0,0,0,1,0,0|1,0,0]=2 142 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [0,0,0,1,0,0|1,0,0]=2 143 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [0,0,0,1,0,0|1,0,0]=2 144 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,0,0,1,0,0|2,0,1]=4 145 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [0,0,0,1,0,0|1,0,1]=3 146 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [0,0,0,1,0,0|2,0,1]=4 147 B9R1.36 CC1CC(NC1=O)(C)C Z1263714376 [0,0,0,1,0,0|2,0,0]=3 148 B9R1.69 CC1CCC(=O)C(C1)C Z854046072 [0,0,0,1,0,0|2,0,0]=3 149 B9R1.69 CC1CCC(C(C1)C)O Z854051758 [0,0,0,1,0,0|2,0,1]=4 150 B9R1.69 CC1CN(CCC1=O)C Z825753356 [0,0,0,1,0,0|3,0,0]=4 151 B9R1.69 CC1CNC(=O)C(C1)C Z1203733670 [0,0,0,1,0,0|2,0,0]=3 152 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [0,0,0,1,0,0|0,0,0]=1 153 B9R1.112 O=C(O)C(=O)NC1CC1 Z424779034 [0,0,0,1,0,0|2,0,1]=4 154 B9R1.112 O=C(O)C(F)CC1CC1 Z1443587524 [0,0,0,1,0,0|1,0,0]=2 155 B9R1.152 C=C1CC(C1)(N)C(=O)O Z4456650800 [0,0,0,1,0,0|0,0,2]=3 156 B9R1.152 CC1(CC(C1)F)C(=O)O Z3211847948 [0,0,0,1,0,0|2,0,0]=3 157 B9R1.152 CC1CC(C1)(N)C(=O)O Z2856166804 [0,0,0,1,0,0|0,0,0]=1 158 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [0,0,0,1,0,0|1,0,1]=3 159 B9R1.152 NC1(CC(C1)F)C(=O)O Z2724339187 [0,0,0,1,0,0|1,0,0]=2 160 B9R1.152 NC1(CC(C1)O)C(=O)O Z1255398009 [0,0,0,1,0,0|1,0,0]=2 161 B9R1.152 NC1CC(C1)(O)C(=O)O Z4445501853 [0,0,0,1,0,0|2,0,0]=3 162 B9R1.161 CC(C)C1CC1C(=O)O Z975823938 [0,0,0,1,0,0|1,0,0]=2 163 B9R1.164 CC1(CC(C1)C(=O)O)C Z1198158394 [0,0,0,1,0,0|1,0,0]=2 164 B9R1.164 CC1(CC(C1)C(=O)O)O Z1205497177 [0,0,0,1,0,0|2,0,0]=3 165 B9R1.164 O=C(O)C1CC(C1)(F)F Z316121458 [0,0,0,1,0,0|3,0,0]=4 166 B9R1.169 CC1(CC1(F)F)C(=O)O Z1201624185 [0,0,0,1,0,0|3,0,0]=4 167 B9R1.169 CC1(CC1(N)C(=O)O)C Z3674952394 [0,0,0,1,0,0|0,0,0]=1 168 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,0,0,0,1,0|1,0,2]=4 169 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,0,0,0,1,0|2,0,1]=4 170 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,0,0,0,1,0|3,0,0]=4 171 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,0,0,0,1,0|1,0,0]=2 172 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,0,0,0,1,0|1,0,0]=2 173 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,0,0,0,1,0|1,0,0]=2 174 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,0,0,0,1,0|1,0,0]=2 175 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,0,0,0,1,0|0,0,0]=1 176 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,0,0,0,1,0|1,0,0]=2 177 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,0,0,0,1,0|1,0,0]=2 178 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,0,0,0,1,0|0,0,0]=1 179 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,0,0,0,1,0|0,0,0]=1 180 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,0,0,0,1,0|2,0,0]=3 181 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,0,0,0,1,0|2,0,0]=3 182 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,0,0,0,1,0|2,0,0]=3 183 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,0,0,0,1,0|1,0,0]=2 184 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,0,0,0,1,0|1,0,0]=2 185 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,0,0,0,1,0|2,0,0]=3 186 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,0,0,0,1,0|1,0,0]=2 187 B9R0.7 C=C(CCN(C)C)C(=O)O Z2582507950 [0,0,0,0,0,1|2,0,1]=4 188 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,0,0,0,0,1|0,0,1]=2 189 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,0,0,0,0,1|1,0,1]=3 190 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,0,0,0,0,1|0,0,0]=1 191 B9R0.7 CC(C)COC(C)C(=O)O Z316259214 [0,0,0,0,0,1|1,0,0]=2 192 B9R0.7 CC(CCN(C)C)C(=O)O Z2754060676 [0,0,0,0,0,1|2,0,0]=3 193 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,0,0,0,0,1|2,0,0]=3 194 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,0,0,0,0,1|2,0,1]=4 195 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,0,0,0,0,1|2,0,1]=4 196 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,0,0,0,0,1|2,0,1]=4 197 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,0,0,0,0,1|2,0,1]=4 198 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,0,0,0,0,1|2,0,1]=4 199 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,0,0,0,0,1|2,0,1]=4 200 B9R0.53 CC(C)CC(C)CC(=O)O Z352782544 [0,0,0,0,0,1|1,0,0]=2 201 B9R0.53 CC(C)CC(C)CC(C)O Z1238571962 [0,0,0,0,0,1|2,0,1]=4 202 B9R0.53 CC(C)CC(N)CC(=O)O Z3251695059 [0,0,0,0,0,1|0,0,0]=1 203 B9R0.53 CC(C)CC(N)CC(C)C Z1263714098 [0,0,0,0,0,1|2,0,1]=4 204 B9R0.53 CC(CC(=O)O)CN(C)C Z2824350104 [0,0,0,0,0,1|2,0,0]=3 205 B6R0.1 CCCC(N)C#N Z398513448 [2,0,0,0,0,0|1,0,1]=4 206 B6R0.1 CCCC(N)CC Z1642389626 [2,0,0,0,0,0|1,0,1]=4 207 B6R0.1 CCCC(N)CN Z425861040 [2,0,0,0,0,0|1,0,1]=4 208 B6R0.1 COCC(N)CO Z1945984156 [2,0,0,0,0,0|1,0,1]=4 209 B6R0.2 CC(C)CB(O)O Z1098324138 [2,0,0,0,0,0|2,0,0]=4 210 B6R0.2 CC(C)CC(=N)N Z1346385639 [2,0,0,0,0,0|1,0,1]=4 211 B6R0.2 CC(C)CC(=O)N Z33546511 [2,0,0,0,0,0|0,0,1]=3 212 B6R0.2 CC(C)CC(=O)O Z104474910 [2,0,0,0,0,0|1,0,1]=4 213 B6R0.2 CC(C)NC(=O)N Z56887677 [2,0,0,0,0,0|1,0,1]=4 214 B6R0.2 CC(N)CC(=O)N Z594220690 [2,0,0,0,0,0|1,0,1]=4 215 B6R0.2 CN(C)CC(=O)N Z54750057 [2,0,0,0,0,0|1,0,1]=4 216 B6R0.4 C#CCCC(=O)O Z295890062 [2,0,0,0,0,0|0,0,2]=4 217 B6R0.4 C=CCCC(=O)O Z995028722 [2,0,0,0,0,0|0,0,2]=4 218 B6R0.4 C=CCCC(C)N Z3681295487 [2,0,0,0,0,0|2,0,0]=4 219 B6R0.4 C=CCNC(C)C Z607822478 [2,0,0,0,0,0|2,0,0]=4 220 B6R0.4 C=COCC(C)C Z916978390 [2,0,0,0,0,0|2,0,0]=4 221 B6R0.4 CC(C)CCCN Z992716898 [2,0,0,0,0,0|1,0,1]=4 222 B6R0.4 CC(C)NCCO Z137800940 [2,0,0,0,0,0|1,0,1]=4 223 B6R0.4 CC(C)OCCO Z104478444 [2,0,0,0,0,0|1,0,1]=4 224 B6R0.4 CC(N)CCCO Z1203578676 [2,0,0,0,0,0|1,0,1]=4 225 B6R0.4 CC/C=C/C(=O)O Z2311573931 [2,0,0,0,0,0|0,0,2]=4 226 B6R0.4 CCC#CC(=O)O Z1205493735 [2,0,0,0,0,0|0,0,2]=4 227 B6R0.4 CCCCB(O)O Z1147227739 [2,0,0,0,0,0|1,0,1]=4 228 B6R0.4 CCCCC(=N)N Z1723418909 [2,0,0,0,0,0|2,0,0]=4 229 B6R0.4 CCCCC(=O)N Z104476278 [2,0,0,0,0,0|1,0,0]=3 230 B6R0.4 CCCCC(=O)O Z104473312 [2,0,0,0,0,0|0,0,0]=2 231 B6R0.4 CCCNC(=O)C Z33030314 [2,0,0,0,0,0|2,0,0]=4 232 B6R0.4 CCCOC(=O)N Z1198148877 [2,0,0,0,0,0|2,0,0]=4 233 B6R0.4 CCNCC(=O)N Z1459435506 [2,0,0,0,0,0|2,0,0]=4 234 B6R0.4 CCNCC(=O)O Z744593094 [2,0,0,0,0,0|1,0,0]=3 235 B6R0.4 CCOCC(=O)O Z104495232 [2,0,0,0,0,0|1,0,0]=3 236 B6R0.4 CNCCC(=O)C Z1536943318 [2,0,0,0,0,0|2,0,0]=4 237 B6R0.4 CNCCC(C)C Z607822512 [2,0,0,0,0,0|2,0,0]=4 238 B6R0.4 COCCC(=O)C Z362119682 [2,0,0,0,0,0|2,0,0]=4 239 B6R0.4 COCCC(=O)N Z394696458 [2,0,0,0,0,0|2,0,0]=4 240 B6R0.4 COCCC(=O)O Z285184634 [2,0,0,0,0,0|1,0,0]=3 241 B6R0.4 CSCCC(=O)O Z54719251 [2,0,0,0,0,0|1,0,0]=3 242 B6R0.4 NC(=O)CCCO Z1203578394 [2,0,0,0,0,0|2,0,0]=4 243 B6R0.4 NCCCC(=O)N Z398513418 [2,0,0,0,0,0|2,0,0]=4 244 B6R0.4 NCCCC(=O)O Z104475620 [2,0,0,0,0,0|1,0,0]=3 245 B6R0.4 NCCCS(=O)O Z1203579399 [2,0,0,0,0,0|2,0,0]=4 246 B6R0.4 O=C(O)CCCS Z147642510 [2,0,0,0,0,0|1,0,0]=3 247 B6R0.3 C=CC(N)C(=O)O Z3244810526 [2,0,0,0,0,0|0,0,2]=4 248 B6R0.3 CC(CN)C(=O)O Z431542704 [2,0,0,0,0,0|2,0,0]=4 249 B6R0.3 CC(CO)C(=O)O Z431541400 [2,0,0,0,0,0|2,0,0]=4 250 B6R0.3 CCC(C)C(=O)N Z270978420 [2,0,0,0,0,0|2,0,0]=4 251 B6R0.3 CCC(C)C(=O)O Z237374874 [2,0,0,0,0,0|1,0,0]=3 252 B6R0.3 CCC(N)C(=O)O Z104495144 [2,0,0,0,0,0|0,0,0]=2 253 B6R0.3 CCC(O)C(=O)N Z965049008 [2,0,0,0,0,0|2,0,0]=4 254 B6R0.3 CCC(O)C(=O)O Z246073650 [2,0,0,0,0,0|1,0,0]=3 255 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [2,0,0,0,0,0|0,0,0]=2 256 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [2,0,0,0,0,0|1,0,0]=3 257 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [2,0,0,0,0,0|0,0,0]=2 258 B6R0.3 CNC(C)C(=O)O Z1278590830 [2,0,0,0,0,0|2,0,0]=4 259 B6R0.3 COC(C)C(=O)O Z316258898 [2,0,0,0,0,0|2,0,0]=4 260 B6R0.3 CSC(C)C(=O)O Z149191750 [2,0,0,0,0,0|2,0,0]=4 261 B6R0.3 NC(CO)C(=O)O Z57396986 [2,0,0,0,0,0|1,0,0]=3 262 B6R0.3 NC(CS)C(=O)O Z966690626 [2,0,0,0,0,0|1,0,0]=3 263 B6R0.3 NCC(N)C(=O)O Z2465863279 [2,0,0,0,0,0|1,0,0]=3 264 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [2,0,0,0,0,0|2,0,0]=4 265 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [2,0,0,0,0,0|1,0,0]=3 266 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [2,0,0,0,0,0|1,0,0]=3 267 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [2,0,0,0,0,0|1,0,0]=3 268 B8R0.2 CCC(N)C(O)C(C)C Z2301500146 [1,1,0,0,0,0|1,0,1]=4 269 B8R0.5 CC(C)CC(N)CCO Z223025192 [1,1,0,0,0,0|0,0,1]=3 270 B8R0.5 CNCC(N)CC(C)C Z756920456 [1,1,0,0,0,0|1,0,1]=4 271 B8R0.16 CC(C)CC(CN)CO Z1945704754 [1,1,0,0,0,0|0,0,1]=3 272 B8R0.16 COC(CN)CC(C)C Z1270207720 [1,1,0,0,0,0|2,0,0]=4 273 B8R0.16 COC(CO)CC(C)C Z2050575509 [1,1,0,0,0,0|1,0,1]=4 274 B8R0.19 CC(CO)CC(C)CO Z1509057634 [1,1,0,0,0,0|1,0,1]=4 275 B8R0.19 CCC(C)CC(N)CO Z1198179422 [1,1,0,0,0,0|0,0,1]=3 276 B8R0.19 CCC(N)CC(C)CO Z1270456881 [1,1,0,0,0,0|1,0,1]=4 277 B8R0.24 C#CC(N)CC(C)(C)C Z5797749471 [1,1,0,0,0,0|1,0,1]=4 278 B8R0.24 CC(C)(C)CC(N)CN Z1992316386 [1,1,0,0,0,0|1,0,1]=4 279 B8R0.24 CC(C)(C)CC(N)CO Z1041195604 [1,1,0,0,0,0|0,0,1]=3 280 B8R0.24 CC(CO)CC(C)(C)N Z1270446291 [1,1,0,0,0,0|1,0,1]=4 281 B8R0.24 CC(F)(F)CC(N)CO Z3710553861 [1,1,0,0,0,0|1,0,1]=4 282 B8R0.34 CC(C)CC(C)(N)CO Z734150960 [1,1,0,0,0,0|0,0,1]=3 283 B8R0.3 C=CCC(N)C(=O)OC Z3067784225 [1,1,0,0,0,0|0,0,2]=4 284 B8R0.3 CCCC(C)C(=O)CC Z1138187109 [1,1,0,0,0,0|2,0,0]=4 285 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [1,1,0,0,0,0|1,0,0]=3 286 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [1,1,0,0,0,0|0,0,0]=2 287 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [1,1,0,0,0,0|0,0,0]=2 288 B8R0.3 COC(=O)C(C)CCN Z3025061158 [1,1,0,0,0,0|2,0,0]=4 289 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [1,1,0,0,0,0|0,0,1]=3 290 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [1,1,0,0,0,0|0,0,1]=3 291 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [1,1,0,0,0,0|0,0,1]=3 292 B8R0.8 CCCCC(C)C(=O)C Z727719632 [1,1,0,0,0,0|2,0,0]=4 293 B8R0.8 CCCCC(C)C(=O)O Z756390480 [1,1,0,0,0,0|1,0,0]=3 294 B8R0.8 CCCCC(N)C(=O)O Z57127434 [1,1,0,0,0,0|0,0,0]=2 295 B8R0.8 CCCCC(N)C(C)O Z2453175125 [1,1,0,0,0,0|1,0,1]=4 296 B8R0.8 CCCCC(O)C(=O)O Z803065156 [1,1,0,0,0,0|1,0,0]=3 297 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [1,1,0,0,0,0|0,0,0]=2 298 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [1,1,0,0,0,0|0,0,0]=2 299 B8R0.8 CCOCC(C)C(=O)O Z431541098 [1,1,0,0,0,0|1,0,0]=3 300 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [1,1,0,0,0,0|0,0,0]=2 301 B8R0.8 COCCC(C)C(=O)O Z756390554 [1,1,0,0,0,0|1,0,0]=3 302 B8R0.8 COCCC(N)C(=O)O Z317025018 [1,1,0,0,0,0|0,0,0]=2 303 B8R0.8 CSCCC(N)C(=O)O Z57127440 [1,1,0,0,0,0|0,0,0]=2 304 B8R0.8 CSCCC(O)C(=O)O Z788000926 [1,1,0,0,0,0|1,0,0]=3 305 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [1,1,0,0,0,0|0,0,0]=2 306 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [1,1,0,0,0,0|0,0,0]=2 307 B8R0.8 N#CCCC(N)C(=O)N Z4876440061 [1,1,0,0,0,0|1,0,1]=4 308 B8R0.8 NCCCC(N)C(=O)O Z104476736 [1,1,0,0,0,0|0,0,0]=2 309 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [1,1,0,0,0,0|0,0,0]=2 310 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [1,1,0,0,0,0|0,0,0]=2 311 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [1,1,0,0,0,0|1,0,0]=3 312 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [1,1,0,0,0,0|1,0,1]=4 313 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [1,1,0,0,0,0|2,0,0]=4 314 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [1,1,0,0,0,0|1,0,0]=3 315 B8R0.12 CCCC(C)(C)C(=O)N Z1198157529 [1,1,0,0,0,0|2,0,0]=4 316 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [1,1,0,0,0,0|0,0,0]=2 317 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [1,1,0,0,0,0|1,0,0]=3 318 B8R0.12 CCNC(C)(C)C(=O)O Z1259161934 [1,1,0,0,0,0|2,0,0]=4 319 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [1,1,0,0,0,0|2,0,0]=4 320 B8R0.12 COCC(C)(N)C(=O)N Z1267773731 [1,1,0,0,0,0|2,0,0]=4 321 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [1,1,0,0,0,0|1,0,0]=3 322 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [1,1,0,0,0,0|2,0,0]=4 323 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [1,1,0,0,0,0|2,0,0]=4 324 B8R0.12 NCCC(F)(F)C(=O)O Z2310718931 [1,1,0,0,0,0|2,0,0]=4 325 B8R0.15 CCCC(CC)C(=O)O Z756391368 [1,1,0,0,0,0|1,0,0]=3 326 B8R0.15 CCCC(CN)C(=O)O Z970060188 [1,1,0,0,0,0|0,0,0]=2 327 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [1,1,0,0,0,0|1,0,0]=3 328 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [1,1,0,0,0,0|2,0,0]=4 329 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [1,1,0,0,0,0|2,0,0]=4 330 B8R0.15 CCOC(CC)C(=O)O Z449367060 [1,1,0,0,0,0|2,0,0]=4 331 B8R0.15 CNC(COC)C(=O)O Z1250132318 [1,1,0,0,0,0|1,0,0]=3 332 B8R0.15 CN[C@@H](COC)C(=O)N Z2213893319 [1,1,0,0,0,0|2,0,0]=4 333 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [1,1,0,0,0,0|1,0,1]=4 334 B8R0.9 CC(C)CC/C(=N/O)/N Z285132796 [1,1,0,0,0,0|1,0,0]=3 335 B8R0.9 CC(C)CCC(=O)NO Z59183904 [1,1,0,0,0,0|0,0,0]=2 336 B8R0.9 CC(C)CCC(N)CO Z1198179431 [1,1,0,0,0,0|1,0,1]=4 337 B8R0.9 CC(C)CCC(O)CO Z1617994519 [1,1,0,0,0,0|0,0,2]=4 338 B8R0.9 CC(C)CNC(=O)CCl Z56887734 [1,1,0,0,0,0|2,0,0]=4 339 B8R0.9 CC(C)CNC(=O)CN Z1262246246 [1,1,0,0,0,0|2,0,0]=4 340 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [1,1,0,0,0,0|0,0,0]=2 341 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [1,1,0,0,0,0|1,0,1]=4 342 B8R0.9 CCC(C)CCC(=O)C Z955111260 [1,1,0,0,0,0|1,0,0]=3 343 B8R0.9 CCC(C)CCC(=O)O Z955111774 [1,1,0,0,0,0|0,0,0]=2 344 B8R0.9 CCC(C)NCC(=O)O Z425484950 [1,1,0,0,0,0|1,0,0]=3 345 B8R0.9 CCC(C)OCC(=O)O Z839103364 [1,1,0,0,0,0|1,0,0]=3 346 B8R0.9 CCC(O)CCC(C)C Z838962512 [1,1,0,0,0,0|1,0,1]=4 347 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [1,1,0,0,0,0|1,0,0]=3 348 B8R0.9 CN(C)CCC(=O)NN Z56959747 [1,1,0,0,0,0|2,0,0]=4 349 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [1,1,0,0,0,0|1,0,1]=4 350 B8R0.9 COC(=O)CCC(=O)O Z57663583 [1,1,0,0,0,0|1,0,1]=4 351 B8R0.9 COC(C)CCC(=O)O Z963595334 [1,1,0,0,0,0|0,0,0]=2 352 B8R0.9 CSC(C)CCC(=O)O Z963595804 [1,1,0,0,0,0|0,0,0]=2 353 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [1,1,0,0,0,0|1,0,1]=4 354 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [1,1,0,0,0,0|1,0,0]=3 355 B8R0.29 CC(=O)CCC(C)(C)C Z992965824 [1,1,0,0,0,0|1,0,0]=3 356 B8R0.29 CC(C)(C)C#CC(=O)O Z1205493807 [1,1,0,0,0,0|0,0,2]=4 357 B8R0.29 CC(C)(C)CCC(=N)N Z3481620976 [1,1,0,0,0,0|2,0,0]=4 358 B8R0.29 CC(C)(C)CCC(=O)O Z819990896 [1,1,0,0,0,0|0,0,0]=2 359 B8R0.29 CC(C)(C)CNC(=O)N Z763367008 [1,1,0,0,0,0|2,0,0]=4 360 B8R0.29 CC(C)(C)NCC(=O)N Z104690680 [1,1,0,0,0,0|2,0,0]=4 361 B8R0.29 CC(C)(C)OCC(=O)O Z362795372 [1,1,0,0,0,0|1,0,0]=3 362 B8R0.29 CC(C)(C)SCC(=O)O Z66636002 [1,1,0,0,0,0|1,0,0]=3 363 B8R0.29 CC(C)(N)C#CC(=O)O Z4371204029 [1,1,0,0,0,0|0,0,2]=4 364 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [1,1,0,0,0,0|0,0,0]=2 365 B8R0.29 CC(C)(N)CNC(=O)N Z1198235624 [1,1,0,0,0,0|2,0,0]=4 366 B8R0.29 CC(C)(O)C#CC(=O)O Z1198166162 [1,1,0,0,0,0|0,0,2]=4 367 B8R0.29 CC(C)(O)CCC(=O)[O-] Z1718361752 [1,1,0,0,0,0|0,0,1]=3 368 B8R0.29 CC(C)CCS(=O)(=O)N Z734461454 [1,1,0,0,0,0|1,0,1]=4 369 B8R0.29 CC(F)(F)CCC(=O)O Z316121454 [1,1,0,0,0,0|1,0,0]=3 370 B8R0.29 CS(=O)(=O)CCC(=O)O Z295403530 [1,1,0,0,0,0|2,0,0]=4 371 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [0,1,0,0,1,0|0,0,0]=2 372 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [0,1,0,0,1,0|1,0,0]=3 373 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [0,1,0,0,1,0|2,0,0]=4 374 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [0,1,0,0,1,0|1,0,0]=3 375 B8R0.27 CC(C(=O)O)C(C)(C)C Z792377250 [0,1,0,0,1,0|1,0,0]=3 376 B8R0.27 CC(C(=O)O)C(C)(F)F Z2216264420 [0,1,0,0,1,0|2,0,0]=4 377 B8R0.27 CC(C)(C)C(=O)C(=O)O Z1187714783 [0,1,0,0,1,0|1,0,1]=4 378 B8R0.27 CC(C)(C)C(N)C(=O)O Z217166134 [0,1,0,0,1,0|0,0,0]=2 379 B8R0.27 CC(C)(C)C(O)C(=O)O Z803056544 [0,1,0,0,1,0|1,0,0]=3 380 B8R0.27 CC(C)(C)[C@H](N)C(=O)N Z1274177433 [0,1,0,0,1,0|1,0,0]=3 381 B8R0.27 CC(C)(C)[C@H](N)C(=O)O Z425412414 [0,1,0,0,1,0|0,0,0]=2 382 B8R0.27 CC(C)(O)C(O)C(=O)O Z1205493888 [0,1,0,0,1,0|1,0,0]=3 383 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O Z1205494143 [0,1,0,0,1,0|1,0,0]=3 384 B8R0.27 CC(C)(S)C(N)C(=O)O Z203244248 [0,1,0,0,1,0|0,0,0]=2 385 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O Z234896485 [0,1,0,0,1,0|0,0,0]=2 386 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Z359371356 [0,1,0,0,1,0|0,0,0]=2 387 B8R0.27 CP(=O)(C)C(O)C(=O)O Z1262512998 [0,1,0,0,1,0|2,0,0]=4 388 B8R0.27 NC(C(=O)O)C(F)(F)F Z1837073442 [0,1,0,0,1,0|2,0,0]=4 389 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [0,1,0,0,1,0|1,0,0]=3 390 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [0,1,0,0,1,0|1,0,0]=3 391 B8R0.37 CC(C)C(F)(F)C(=O)[O-] Z4020198961 [0,1,0,0,1,0|1,0,1]=4 392 B8R0.37 CC(N)(C(=O)O)C(F)F Z3185477658 [0,1,0,0,1,0|2,0,0]=4 393 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [0,1,0,0,1,0|1,0,0]=3 394 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [0,1,0,0,1,0|2,0,0]=4 395 B8R0.37 CN(C)C(C)(C)C(=O)O Z1431002715 [0,1,0,0,1,0|2,0,0]=4 396 B10R0.43 CC(C)CCC(C)(N)C(=O)O Z398557150 [0,1,0,0,0,1|0,0,0]=2 397 B10R0.82 CCC(N)COC(C)C(=O)O Z5122110101 [0,1,0,0,0,1|2,0,0]=4 398 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Z1198152810 [0,1,0,0,0,1|1,0,1]=4 399 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Z1741982704 [0,1,0,0,0,1|1,0,1]=4 400 B10R0.92 CC(C)(C)CCC(N)C(=O)N Z1889917254 [0,1,0,0,0,1|1,0,0]=3 401 B10R0.92 CC(C)(C)CCC(N)C(=O)O Z819991814 [0,1,0,0,0,1|0,0,0]=2 402 B10R0.92 CC(CCC(C)(C)C)C(=O)O Z819995662 [0,1,0,0,0,1|1,0,0]=3 403 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Z2737639744 [0,1,0,0,0,1|2,0,0]=4 404 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Z5517615815 [0,1,0,0,0,1|2,0,0]=4 405 B10R0.92 NC(CCC(F)(F)F)C(=O)O Z1954804076 [0,1,0,0,0,1|2,0,0]=4 406 B10R0.93 CC(C)C(=O)NC(C)C(=O)O Z85890230 [0,1,0,0,0,1|1,0,1]=4 407 B10R0.31 CC(C)(C)CC(N)CC(=O)O Z1704732913 [0,1,0,0,0,1|0,0,0]=2 408 B10R0.31 CC(CC(=O)N)CC(C)(C)C Z741559976 [0,1,0,0,0,1|2,0,0]=4 409 B10R0.31 CN(CC(=O)O)CC(C)(C)C Z1459981719 [0,1,0,0,0,1|2,0,0]=4 410 B10R0.44 COC(=O)CC(N)CC(C)C Z4707550262 [0,1,0,0,0,1|0,0,0]=2 411 B10R0.165 CC(C)CS(=O)(=O)CC(=O)O Z295402414 [0,1,0,0,0,1|2,0,0]=4 412 B10R0.165 CN(C)CC(C)(C)CC(=O)O Z4325360477 [0,1,0,0,0,1|2,0,0]=4 413 B10R0.154 CC(C(=O)O)C(C)C(C)(C)C Z1262525834 [0,2,0,0,0,0|1,0,0]=3 414 B10R0.154 CC(C)(C)C(O)C(N)C(=O)O Z4351247763 [0,2,0,0,0,0|0,0,0]=2 415 B10R0.154 NC(C(=O)O)C(O)C(F)(F)F Z56767333 [0,2,0,0,0,0|2,0,0]=4 416 B10R0.117 CC(C)C(N)C(C)(C)C(=O)O Z2787257706 [0,2,0,0,0,0|1,0,0]=3 417 B10R0.117 CC(C)C(O)C(C)(C)C(=O)O Z982140642 [0,2,0,0,0,0|1,0,0]=3 418 B10R0.117 CC(C)C(O)C(F)(F)C(=O)O Z982139518 [0,2,0,0,0,0|1,0,0]=3 419 B10R0.117 CC(C)S(=O)(=O)C(C)C(=O)O Z295403360 [0,2,0,0,0,0|2,0,0]=4 420 B10R0.117 CC(O)(C(F)F)C(N)C(=O)O Z3759788258 [0,2,0,0,0,0|2,0,0]=4 421 B10R0.119 CC(C)CC(C)(CN)C(=O)O Z2890496360 [0,2,0,0,0,0|0,0,0]=2 422 B10R0.163 CC(C)(C)CC(C)(C)C(=O)O Z1262511189 [0,2,0,0,0,0|1,0,0]=3 423 B10R0.32 CCOC(=O)C(N)CN(C)C Z1266933890 [0,2,0,0,0,0|1,0,0]=3 424 B10R0.37 COC(=O)C(C)OC(C)(C)C Z852756272 [0,2,0,0,0,0|2,0,0]=4 425 B10R0.37 COC(=O)C(N)CC(C)(C)C Z2418194244 [0,2,0,0,0,0|0,0,0]=2 426 B10R0.23 C=CCC(CC(C)C)C(=O)O Z1262513795 [0,2,0,0,0,0|1,0,0]=3 427 B10R0.23 CCCC(NC(C)C)C(=O)O Z1665263806 [0,2,0,0,0,0|2,0,0]=4 428 B10R0.95 CNC(CC(C)(C)C)C(=O)O Z1041195030 [0,2,0,0,0,0|0,0,0]=2 429 B10R0.95 CNC(CC(F)(F)F)C(=O)O Z4663899960 [0,2,0,0,0,0|2,0,0]=4 430 B10R0.162 CC(C)C(CN(C)C)C(=O)O Z4877837656 [0,2,0,0,0,0|2,0,0]=4 431 B10R0.162 CC(C)CC(C(=O)N)C(=O)O Z1262518071 [0,2,0,0,0,0|0,0,0]=2 432 B10R0.162 CC(C)CC(C(=O)O)C(=O)O Z1198161254 [0,2,0,0,0,0|1,0,0]=3 433 B10R0.162 CC(C)CC(C(=O)O)C(C)C Z756391614 [0,2,0,0,0,0|1,0,0]=3 434 B10R0.162 CC(C)NC(C(=O)O)C(C)C Z449368982 [0,2,0,0,0,0|2,0,0]=4 435 B10R0.26 CCCC(C)CC(N)C(=O)O Z970064328 [0,2,0,0,0,0|0,0,0]=2 436 B10R0.72 CCC(CO)NC(C)C(=O)O Z852758198 [0,2,0,0,0,0|2,0,0]=4 437 B10R0.72 CCN(CC)CC(F)C(=O)O Z1407007490 [0,2,0,0,0,0|2,0,0]=4 438 B8R1.1 CC1CCC(C1)C=O Z1268606446 [1,0,0,1,0,0|1,0,0]=3 439 B8R1.1 CCC1CC(CN1)C Z1203749385 [1,0,0,1,0,0|1,0,1]=4 440 B8R1.1 OCC1CC(CN1)F Z1753033006 [1,0,0,1,0,0|1,0,1]=4 441 B8R1.4 CC1CCCC(C1)N Z367450918 [1,0,0,1,0,0|1,0,1]=4 442 B8R1.18 CC1CC(C(=O)N1)C Z1203733105 [1,0,0,1,0,0|2,0,0]=4 443 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [1,0,0,1,0,0|1,0,0]=3 444 B8R1.18 CN1CC(C(=O)N1)N Z1332661939 [1,0,0,1,0,0|2,0,0]=4 445 B8R1.18 N[C@@H]1C[C@@H](C[C@H]1O)O Z3576076783 [1,0,0,1,0,0|1,0,1]=4 446 B8R1.29 CC1(CN(C1=O)O)C Z4512942627 [1,0,0,1,0,0|2,0,0]=4 447 B8R1.29 CC1(C[C@H]([C@H]1O)N)C Z3486644250 [1,0,0,1,0,0|0,0,1]=3 448 B8R1.40 C#CC(N)CC1CC1 Z3302649438 [1,0,0,1,0,0|1,0,1]=4 449 B8R1.40 NC(CO)CC1CC1 Z1198179456 [1,0,0,1,0,0|0,0,1]=3 450 B8R1.42 CC(C)CC1(CC1)N Z2574360283 [1,0,0,1,0,0|1,0,1]=4 451 B8R1.51 CC1(CC(CO1)N)C Z2938030584 [1,0,0,1,0,0|0,0,1]=3 452 B8R1.53 CC1(CC(C1)C=O)C Z1511834993 [1,0,0,1,0,0|1,0,0]=3 453 B8R1.53 CC1(CC(C1)CO)C Z1255460358 [1,0,0,1,0,0|1,0,1]=4 454 B8R1.62 CC1CC(C1)(C)C=O Z1813377235 [1,0,0,1,0,0|1,0,0]=3 455 B8R1.62 NC1(CC(C1)O)CO Z4354944969 [1,0,0,1,0,0|1,0,1]=4 456 B8R1.62 N[C@@]1(C[C@@H](C1)O)CO Z4425391382 [1,0,0,1,0,0|1,0,1]=4 457 B8R1.65 CC1(CC1(C)C=O)C Z1511852399 [1,0,0,1,0,0|1,0,0]=3 458 B8R1.5 CC1CCCCC1=O Z104477192 [1,0,0,1,0,0|2,0,0]=4 459 B8R1.5 CC1CCCNC1=O Z1013766916 [1,0,0,1,0,0|2,0,0]=4 460 B8R1.5 NC1CCCCC1=O Z2186882796 [1,0,0,1,0,0|1,0,0]=3 461 B8R1.5 NC1CCCNC1=O Z993991168 [1,0,0,1,0,0|1,0,0]=3 462 B8R1.5 NN1CCCCC1=O Z976663668 [1,0,0,1,0,0|2,0,0]=4 463 B8R1.5 N[C@@H]1CCCC[C@@H]1O Z2235399143 [1,0,0,1,0,0|1,0,1]=4 464 B8R1.5 O=C1CCCCC1Cl Z94598693 [1,0,0,1,0,0|2,0,0]=4 465 B8R1.5 O=C1NCCCC1F Z1203749514 [1,0,0,1,0,0|2,0,0]=4 466 B8R1.7 CC(=O)C1CCCC1 Z513735352 [1,0,0,1,0,0|2,0,0]=4 467 B8R1.7 CC(O)[C@@H]1CCCN1 Z1203825201 [1,0,0,1,0,0|1,0,1]=4 468 B8R1.7 NC(=O)C1CCCC1 Z33546657 [1,0,0,1,0,0|2,0,0]=4 469 B8R1.7 NC(=O)C1CCCN1 Z56945990 [1,0,0,1,0,0|1,0,0]=3 470 B8R1.7 NC(=O)C1CCCO1 Z33545380 [1,0,0,1,0,0|2,0,0]=4 471 B8R1.7 NC(=O)C1CSCN1 Z316101160 [1,0,0,1,0,0|2,0,0]=4 472 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [1,0,0,1,0,0|1,0,1]=4 473 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [1,0,0,1,0,0|0,0,2]=4 474 B8R1.7 O=C(O)C1CCCC1 Z104476116 [1,0,0,1,0,0|1,0,0]=3 475 B8R1.7 O=C(O)C1CCCN1 Z104476886 [1,0,0,1,0,0|0,0,0]=2 476 B8R1.7 O=C(O)C1CCCO1 Z104486102 [1,0,0,1,0,0|1,0,0]=3 477 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [1,0,0,1,0,0|1,0,0]=3 478 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [1,0,0,1,0,0|2,0,0]=4 479 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [1,0,0,1,0,0|2,0,0]=4 480 B8R1.7 O=C(O)C1CCOC1 Z381356480 [1,0,0,1,0,0|2,0,0]=4 481 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [1,0,0,1,0,0|2,0,0]=4 482 B8R1.7 O=C(O)C1CSCN1 Z104495996 [1,0,0,1,0,0|1,0,0]=3 483 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [1,0,0,1,0,0|1,0,0]=3 484 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [1,0,0,1,0,0|2,0,0]=4 485 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [1,0,0,1,0,0|2,0,0]=4 486 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [1,0,0,1,0,0|0,0,0]=2 487 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [1,0,0,1,0,0|1,0,0]=3 488 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [1,0,0,1,0,0|0,0,0]=2 489 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [1,0,0,1,0,0|1,0,0]=3 490 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [1,0,0,1,0,0|1,0,0]=3 491 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [1,0,0,1,0,0|2,0,0]=4 492 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [1,0,0,1,0,0|2,0,0]=4 493 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [1,0,0,1,0,0|0,0,0]=2 494 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [1,0,0,1,0,0|1,0,0]=3 495 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [1,0,0,1,0,0|1,0,0]=3 496 B8R1.54 NC(=O)C(O)C1CC1 Z965049350 [1,0,0,1,0,0|2,0,0]=4 497 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [1,0,0,1,0,0|0,0,0]=2 498 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [1,0,0,1,0,0|1,0,0]=3 499 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [1,0,0,1,0,0|1,0,0]=3 500 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [1,0,0,1,0,0|2,0,0]=4 501 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [1,0,0,1,0,0|2,0,0]=4 502 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [1,0,0,1,0,0|1,0,0]=3 503 B8R1.78 NC(=O)C1(CNC1)N Z1262579255 [1,0,0,1,0,0|2,0,0]=4 504 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [1,0,0,1,0,0|0,0,0]=2 505 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [1,0,0,1,0,0|1,0,0]=3 506 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [1,0,0,1,0,0|1,0,0]=3 507 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [1,0,0,1,0,0|1,0,0]=3 508 B8R1.78 O=C(O)C1(CNC1)O Z2630949328 [1,0,0,1,0,0|2,0,0]=4 509 B8R1.3 CC1CCC(=O)CC1 Z57073963 [1,0,0,1,0,0|1,0,0]=3 510 B8R1.3 CC1CCC(=O)NC1 Z969194082 [1,0,0,1,0,0|1,0,0]=3 511 B8R1.3 CC1CCC(CC1)O Z104476106 [1,0,0,1,0,0|1,0,1]=4 512 B8R1.3 NC1CCC(=O)CC1 Z1198169628 [1,0,0,1,0,0|2,0,0]=4 513 B8R1.3 NC1CCC(=O)NC1 Z992717028 [1,0,0,1,0,0|2,0,0]=4 514 B8R1.35 CC(=O)CCC1CC1 Z1233207768 [1,0,0,1,0,0|1,0,0]=3 515 B8R1.35 CC(C)CCC1CO1 Z1495386123 [1,0,0,1,0,0|1,0,1]=4 516 B8R1.35 NC(=O)CNC1CC1 Z104875198 [1,0,0,1,0,0|2,0,0]=4 517 B8R1.35 NC(=O)NCC1CC1 Z247615948 [1,0,0,1,0,0|2,0,0]=4 518 B8R1.35 O=C(O)C#CC1CC1 Z1198161308 [1,0,0,1,0,0|0,0,2]=4 519 B8R1.35 O=C(O)CNC1CC1 Z432066928 [1,0,0,1,0,0|1,0,0]=3 520 B8R1.35 O=[N+]([O-])CCC1CC1 Z2732442774 [1,0,0,1,0,0|1,0,1]=4 521 B8R1.77 CC1(CC1C(=N)N)C Z1203638454 [1,0,0,1,0,0|2,0,0]=4 522 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [1,0,0,1,0,0|0,0,0]=2 523 B8R1.77 O=C(O)C1CC1(Br)Br Z600508418 [1,0,0,1,0,0|2,0,0]=4 524 B8R1.77 O=C(O)C1CC1(Cl)Cl Z56983732 [1,0,0,1,0,0|2,0,0]=4 525 B8R1.50 CC1CNC(=O)C1C Z1203745887 [0,0,0,1,1,0|2,0,0]=4 526 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,0,0,1,1,0|0,0,0]=2 527 B8R1.50 N[C@H]1C(=O)NC[C@@H]1O Z5183356392 [0,0,0,1,1,0|2,0,0]=4 528 B10R1.13 CC1=CCC(CC1)C(=O)O Z1205493665 [0,0,0,1,0,1|1,0,1]=4 529 B10R1.13 CC1CCC(CN1)C(=O)N Z300072132 [0,0,0,1,0,1|2,0,0]=4 530 B10R1.13 CC1CCC(CN1)C(=O)O Z3211705986 [0,0,0,1,0,1|1,0,0]=3 531 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [0,0,0,1,0,1|0,0,0]=2 532 B10R1.13 CN1CCC(CC1)C(=O)O Z744843480 [0,0,0,1,0,1|2,0,0]=4 533 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)N Z3302651128 [0,0,0,1,0,1|2,0,0]=4 534 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O Z3064248894 [0,0,0,1,0,1|1,0,0]=3 535 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [0,0,0,1,0,1|0,0,0]=2 536 B10R1.13 C[C@@H]1CN[C@@H](CO1)C(=O)O Z2311241423 [0,0,0,1,0,1|0,0,0]=2 537 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O Z2311241416 [0,0,0,1,0,1|0,0,0]=2 538 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O Z1205493659 [0,0,0,1,0,1|1,0,0]=3 539 B10R1.13 O=C(O)C1CCC(CC1)O Z336079608 [0,0,0,1,0,1|2,0,0]=4 540 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [0,0,0,1,0,1|1,0,0]=3 541 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)F Z3600401699 [0,0,0,1,0,1|1,0,0]=3 542 B10R1.13 O=C1CNC(CN1)C(=O)O Z1198278656 [0,0,0,1,0,1|1,0,1]=4 543 B10R1.58 CC(C)N1C[C@H]([C@@H](C1)O)N Z2306938356 [0,0,0,1,0,1|1,0,1]=4 544 B10R1.81 CC1CN(C1)C(C)C(=O)O Z4927164198 [0,0,0,1,0,1|1,0,0]=3 545 B10R1.205 CC(OCC1CC1)C(=O)O Z332379292 [0,0,0,1,0,1|1,0,0]=3 546 B10R1.349 CN(C)[C@H]1C[C@@H](C1)C(=O)O Z2310671389 [0,0,0,1,0,1|2,0,0]=4 547 B10R1.349 CN(C)[C@H]1C[C@H](C1)C(=O)O Z2310722627 [0,0,0,1,0,1|2,0,0]=4 548 B10R1.359 CC1(CC(CN1)C(=O)O)C Z4238522538 [0,0,0,1,0,1|1,0,0]=3 549 B10R1.359 CC1(CCC(C1)C(=O)O)C Z1205496980 [0,0,0,1,0,1|1,0,0]=3 550 B10R1.359 CC1(CCC(N1)C(=O)O)C Z1762997323 [0,0,0,1,0,1|0,0,0]=2 551 B10R1.359 CC1(CNC(C1)C(=O)O)C Z3247793866 [0,0,0,1,0,1|1,0,0]=3 552 B10R1.359 CC1(NC(CS1)C(=O)O)C Z111883472 [0,0,0,1,0,1|0,0,0]=2 553 B10R1.359 CC1(OCC(O1)C(=O)N)C Z1203583229 [0,0,0,1,0,1|2,0,0]=4 554 B10R1.360 CC(C)[C@@H]1C[C@]1(N)C(=O)O Z4433641075 [0,0,0,1,0,1|0,0,0]=2 555 B10R1.365 CC1(CCC1(N)C(=O)O)C Z5783123373 [0,0,0,1,0,1|0,0,0]=2 556 B10R1.368 CC(C)C[C@@H]1C[C@H]1C(=O)O Z2235790964 [0,0,0,1,0,1|1,0,0]=3 557 B10R1.368 CN(C)C[C@@H]1C[C@@H]1C(=O)O Z3681224464 [0,0,0,1,0,1|2,0,0]=4 558 B10R1.470 CC1(CCC(C1)N)C(=O)O Z3244659899 [0,0,0,1,0,1|2,0,0]=4 559 B10R1.470 CC1CCC(C1)(N)C(=O)O Z3038761031 [0,0,0,1,0,1|0,0,0]=2 560 B10R1.470 CN1CCC(C1)(C)C(=O)O Z2311218975 [0,0,0,1,0,1|2,0,0]=4 561 B10R1.470 N[C@@]1(CC[C@@H](C1)O)C(=O)O Z3069146834 [0,0,0,1,0,1|1,0,0]=3 562 B10R1.54 CC(C)CC1CNC(=O)C1 Z1198235319 [0,0,0,1,0,1|2,0,0]=4 563 B10R1.54 CC1CC(CN1)CC(=O)O Z4762765581 [0,0,0,1,0,1|2,0,0]=4 564 B10R1.54 CC1CC/C(=C\C(=O)O)/C1 Z1868431092 [0,0,0,1,0,1|1,0,1]=4 565 B10R1.54 CC1CCC(C1)CC(=O)O Z1205494179 [0,0,0,1,0,1|1,0,0]=3 566 B10R1.54 CC1CCC(O1)CC(=O)O Z1205494903 [0,0,0,1,0,1|2,0,0]=4 567 B10R1.54 CC1CCN(C1)CC(=O)O Z1459983829 [0,0,0,1,0,1|2,0,0]=4 568 B10R1.54 CN1CCC(C1)CC(=O)O Z2492774445 [0,0,0,1,0,1|2,0,0]=4 569 B10R1.54 N[C@@H]1CC[C@@H](C1)CC(=O)O Z3070901966 [0,0,0,1,0,1|2,0,0]=4 570 B10R1.59 CC(C)[C@@H]1NC(=O)C[C@H]1N Z4549416712 [0,0,0,1,0,1|1,0,0]=3 571 B10R1.59 CC1CC(C(O1)C(=O)O)C Z1947908132 [0,0,0,1,0,1|2,0,0]=4 572 B10R1.59 N[C@@H]1C[C@@H](C[C@@H]1C(=O)O)O Z2939860921 [0,0,0,1,0,1|1,0,0]=3 573 B10R1.272 CC1(CC(CS1(=O)=O)N)C Z5112807431 [0,0,0,1,0,1|1,0,1]=4 574 B10R1.329 CC1(CC(=O)C=C(C1)N)C Z57154079 [0,0,0,1,0,1|1,0,1]=4 575 B10R1.329 CC1CC(=O)CC(C1)(C)C Z104472308 [0,0,0,1,0,1|2,0,0]=4 576 B10R1.330 CC1CNC(=O)CC(C1)C Z1203735002 [0,0,0,1,0,1|2,0,0]=4 577 B10R1.371 CC1(CC(C1)CC(=O)O)C Z1813149864 [0,0,0,1,0,1|1,0,0]=3 578 B10R1.371 CC1(CN(C1)CC(=O)O)C Z2213893331 [0,0,0,1,0,1|2,0,0]=4 579 B10R1.560 CC1(CC(C(=O)O1)(C)N)C Z2217033064 [0,1,0,1,0,0|0,0,0]=2 580 B10R1.442 CC(C)CC1(CC1)C(=O)O Z1270131184 [0,1,0,1,0,0|1,0,0]=3 581 B10R1.442 CC(C)NC1(CC1)C(=O)O Z4570268872 [0,1,0,1,0,0|2,0,0]=4 582 B10R1.442 CN(C)CC1(CC1)C(=O)O Z2238508630 [0,1,0,1,0,0|2,0,0]=4 583 B10R1.566 CC1(CC(C1)(F)F)C(=O)O Z1262527350 [0,1,0,1,0,0|2,0,0]=4 584 B10R1.566 CC1(CC(C1)(N)C(=O)O)C Z3048844013 [0,1,0,1,0,0|0,0,0]=2 585 B10R1.566 CC1(CC(C1)(O)C(=O)O)C Z1205497280 [0,1,0,1,0,0|1,0,0]=3 586 B10R1.566 NC1(CC(C1)(F)F)C(=O)O Z1603778714 [0,1,0,1,0,0|1,0,0]=3 587 B10R1.566 O=C(O)C1(CC(C1)(F)F)O Z3033360998 [0,1,0,1,0,0|2,0,0]=4 588 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N Z2309862002 [0,1,0,1,0,0|2,0,0]=4 589 B10R1.14 COC(=O)[C@@H]1C[C@@H](CS1)N Z3476139903 [0,1,0,1,0,0|2,0,0]=4 590 B10R1.194 CC(C)C1CNC(=O)C1C Z2379582112 [0,1,0,1,0,0|2,0,0]=4 591 B10R1.194 CC1C(CCN1C)C(=O)O Z1839475263 [0,1,0,1,0,0|2,0,0]=4 592 B10R1.194 C[C@@H]1[C@@H](CCN1C)C(=O)O Z2379806278 [0,1,0,1,0,0|2,0,0]=4 593 B10R1.194 O=C(O)[C@@H]1NC[C@H]([C@H]1O)O Z4081403377 [0,1,0,1,0,0|1,0,0]=3 594 B10R1.424 COC(=O)C1(CC(C1)C)N Z3689012916 [0,1,0,1,0,0|0,0,0]=2 595 B10R1.30 CC1CCC(=O)C(C1)C=O Z854045786 [0,1,0,1,0,0|2,0,0]=4 596 B10R1.30 CCC1CC(CCC1=O)C Z854046008 [0,1,0,1,0,0|2,0,0]=4 597 B10R1.113 CC(=O)C1CCOC(C1)C Z1276728239 [0,1,0,1,0,0|2,0,0]=4 598 B10R1.113 CC(=O)[C@H]1CNC[C@H](C1)C Z5212943153 [0,1,0,1,0,0|1,0,0]=3 599 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [0,1,0,1,0,0|1,0,0]=3 600 B10R1.113 CC1CC(CCS1)C(=O)O Z3242951587 [0,1,0,1,0,0|1,0,0]=3 601 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,1,0,1,0,0|1,0,0]=3 602 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [0,1,0,1,0,0|2,0,0]=4 603 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [0,1,0,1,0,0|0,0,0]=2 604 B10R1.113 CC1CCNC(C1)C(C)O Z1197886054 [0,1,0,1,0,0|1,0,1]=4 605 B10R1.113 CC1CNCC(C1)C(=O)N Z3268397570 [0,1,0,1,0,0|1,0,0]=3 606 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [0,1,0,1,0,0|2,0,0]=4 607 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [0,1,0,1,0,0|2,0,0]=4 608 B10R1.113 CN1CCOC(C1)C(=O)O Z1269638422 [0,1,0,1,0,0|2,0,0]=4 609 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,1,0,1,0,0|2,0,0]=4 610 B10R1.113 C[C@@H]1CNCC(O1)C(=O)N Z1413022387 [0,1,0,1,0,0|2,0,0]=4 611 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O Z3021480604 [0,1,0,1,0,0|0,0,0]=2 612 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O Z2688982174 [0,1,0,1,0,0|1,0,0]=3 613 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,1,0,1,0,0|2,0,0]=4 614 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,1,0,1,0,0|2,0,0]=4 615 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [0,1,0,1,0,0|2,0,0]=4 616 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,1,0,1,0,0|2,0,0]=4 617 B10R1.234 CC1CC(C1)(C#N)C(=O)O Z1209445888 [0,1,0,1,0,0|0,0,1]=3 618 B10R1.234 COC1(CC(C1)C)C(=O)O Z1847086517 [0,1,0,1,0,0|1,0,0]=3 619 B10R1.234 CS[C@@]1(C[C@H](C1)N)C(=O)O Z5354480047 [0,1,0,1,0,0|2,0,0]=4 620 B10R1.234 NCC1(CC(C1)O)C(=O)O Z2937631757 [0,1,0,1,0,0|1,0,0]=3 621 B10R1.242 CC1(CC1(C#N)C(=O)O)C Z2182005711 [0,1,0,1,0,0|0,0,1]=3 622 B10R1.242 NCC1(CC1(F)F)C(=O)O Z2830496052 [0,1,0,1,0,0|2,0,0]=4 623 B10R1.469 NCC(CC1CC1)C(=O)O Z2453099346 [0,1,0,1,0,0|0,0,0]=2 624 B10R1.31 CCC1CCC(N1)C(=O)O Z2417581629 [0,1,0,1,0,0|2,0,0]=4 625 B10R1.31 CCC1CCC(O1)C(=O)O Z1389029400 [0,1,0,1,0,0|2,0,0]=4 626 B10R1.31 CCN1CCC(C1)C(=O)O Z1459883437 [0,1,0,1,0,0|2,0,0]=4 627 B10R1.31 CC[C@@H]1CN[C@@H](C1)C(=O)O Z3490158686 [0,1,0,1,0,0|0,0,0]=2 628 B10R1.31 COC1CCC(C1)C(=O)O Z1509041249 [0,1,0,1,0,0|1,0,0]=3 629 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)N Z1262618373 [0,1,0,1,0,0|1,0,0]=3 630 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)O Z1203733743 [0,1,0,1,0,0|0,0,0]=2 631 B10R1.31 CO[C@H]1CN[C@@H](C1)C(=O)O Z1203732431 [0,1,0,1,0,0|0,0,0]=2 632 B10R1.31 NC[C@@H]1CC[C@@H](O1)C(=O)O Z2568677836 [0,1,0,1,0,0|2,0,0]=4 633 B10R1.204 NC(CC1CCC1)C(=O)O Z2306604307 [0,1,0,1,0,0|0,0,0]=2 634 B10R1.235 NCC1(CC(C1)C(=O)O)O Z4075360009 [0,1,0,1,0,0|2,0,0]=4 635 B10R1.490 C#CC1CC(C1)(N)C(=O)O Z4657405282 [0,1,0,1,0,0|0,0,1]=3 636 B10R1.490 COC1CC(C1)(N)C(=O)O Z3135795518 [0,1,0,1,0,0|0,0,0]=2 637 B10R1.490 NC(=O)C1(CC(C1)CO)N Z3037487935 [0,1,0,1,0,0|1,0,0]=3 638 B10R1.278 CC(C1CC1)C(N)C(=O)O Z2010010266 [0,1,0,1,0,0|0,0,0]=2 639 B10R2.28 C[C@]1(C[C@@H]2CN[C@H]1C2)O Z4882042053 [0,0,0,2,0,0|1,0,1]=4 640 B10R2.115 C[C@]12CO[C@H](C1)[C@@H](C2)N Z4767895815 [0,0,0,2,0,0|1,0,1]=4 641 B10R2.308 O=C(O)[C@@]12C[C@H]([C@@H]1C2)O Z3380556323 [0,0,0,2,0,0|2,0,0]=4 642 B10R2.348 NC(=O)C12CC(C1)CN2 Z2587654810 [0,0,0,2,0,0|1,0,0]=3 643 B10R2.348 O=C(O)C12CC(C1)CN2 Z199536584 [0,0,0,2,0,0|0,0,0]=2 644 B10R2.355 O=C(O)[C@@H]1NC[C@H]2[C@@H]1C2 Z3182359549 [0,0,0,2,0,0|0,0,0]=2 645 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 Z440824358 [0,0,0,2,0,0|0,0,0]=2 646 B10R2.636 CC12CC(C1)(C2)C(=O)O Z1205494627 [0,0,0,2,0,0|1,0,0]=3 647 B10R2.636 O=C(O)C12CC(C1)(C2)F Z1205494685 [0,0,0,2,0,0|2,0,0]=4 648 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [1,0,0,0,0,1|0,0,1]=3 649 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [1,0,0,0,0,1|1,0,1]=4 650 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [1,0,0,0,0,1|1,0,1]=4 651 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [1,0,0,0,0,1|1,0,1]=4 652 B8R0.28 CC(C)CCCC(=O)O Z426022098 [1,0,0,0,0,1|0,0,0]=2 653 B8R0.28 CC(C)CCNC(=N)N Z1089993920 [1,0,0,0,0,1|2,0,0]=4 654 B8R0.28 CC(C)CCNC(=O)N Z56904577 [1,0,0,0,0,1|1,0,0]=3 655 B8R0.28 CC(C)CCNC(=S)N Z56930716 [1,0,0,0,0,1|1,1,0]=4 656 B8R0.28 CC(C)CNCC(=O)N Z234894923 [1,0,0,0,0,1|1,0,0]=3 657 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [1,0,0,0,0,1|0,0,0]=2 658 B8R0.28 CC(C)CSCC(=O)O Z96112845 [1,0,0,0,0,1|0,0,0]=2 659 B8R0.28 CC(C)NCCC(=O)O Z235348215 [1,0,0,0,0,1|0,0,0]=2 660 B8R0.28 CC(C)OCCC(=O)O Z316259248 [1,0,0,0,0,1|0,0,0]=2 661 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [1,0,0,0,0,1|1,0,0]=3 662 B8R0.28 CC(N)COCC(=O)O Z3789755599 [1,0,0,0,0,1|1,0,0]=3 663 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [1,0,0,0,0,1|1,0,1]=4 664 B8R0.28 CC(O)CNCC(=O)[O-] Z3690977946 [1,0,0,0,0,1|1,0,1]=4 665 B10R0.98 CC(C)CCCC(N)C(=O)O Z2855996233 [0,0,0,0,0,2|0,0,0]=2 666 B10R0.98 CC(C)CCOC(C)C(=O)O Z316259086 [0,0,0,0,0,2|1,0,0]=3 667 B10R0.98 CC(N)CCCC(C)C(=O)O Z1258848487 [0,0,0,0,0,2|2,0,0]=4 668 B10R0.98 CC(OCCN(C)C)C(=O)O Z3400079248 [0,0,0,0,0,2|2,0,0]=4