0 B7R0.16 CC(C)C(O)C(=O)O SC-08874 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.16 CC(N)C(N)C(=O)O SC-10139 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O SC-09895 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.16 C[C@H](N)[C@H](N)C(=O)O SC-10141 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.16 [C@@H](Cl)(C(=O)O)C(C)C SC-03021 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.2 C=C(C)CC(=O)O SC-31698 [1,0,0,0,0,0|1,0,1]=3 6 B6R0.2 CC(=O)CC(C)=O SC-68118 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.2 CC(C)CC(=N)N SC-40541 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.2 CC(O)CC(=O)[O-] SC-85388 [1,0,0,0,0,0|0,0,1]=2 9 B6R0.2 CN(C)CC(=O)O SC-09555 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.2 CN(C)CC(=O)O SC-51828 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.2 C[C@H](O)C[C@H](C)O SC-06528 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.2 O=C(O)CC(=O)O SC-77641 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.2 [C@@H](C)(N)CC(=O)O SC-26546 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.3 C=CC(N)C(=O)O SC-83691 [1,0,0,0,0,0|0,0,2]=3 15 B6R0.3 CCC(C)C(=N)N SC-40567 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.3 CCC(C)C(=O)O SC-22738 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.3 CCC(Cl)C(=O)O SC-96228 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.3 CCC(O)C(=N)N SC-41904 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.3 CCC(O)C(=O)O SC-88990 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.3 CCN(C)C(=O)Cl SC-18616 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.3 CC[C@@H](Cl)C(=O)O SC-52915 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.3 C[C@H](O)[C@@H](N)CO SC-54023 [1,0,0,0,0,0|0,0,1]=2 23 B6R0.3 NC(=O)C(N)CO SC-53653 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.3 NC[C@H](N)C(=O)O SC-10204 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.3 N[C@@H](CCl)C(=O)O SC-21241 [1,0,0,0,0,0|1,0,0]=2 26 B6R0.3 N[C@@H](CS)C(=O)O SC-09429 [1,0,0,0,0,0|0,1,0]=2 27 B6R0.3 [C@H](O)(CN)C(=O)O SC-18368 [1,0,0,0,0,0|2,0,0]=3 28 B8R0.2 CCC(C)C(N)C(=O)O SC-09608 [0,1,0,0,0,0|1,0,0]=2 29 B8R0.2 COC(=O)C(=O)C(C)Br SC-49692 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.2 COC(=O)C(=O)C(C)C SC-26959 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.2 COC(=O)C(Cl)C(C)=O SC-49511 [0,1,0,0,0,0|1,0,2]=4 32 B8R0.2 COC(=O)[C@@H](N)C(C)C SC-10007 [0,1,0,0,0,0|1,0,0]=2 33 B8R0.2 CON(C)C(=O)C(=O)O SC-32952 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.2 [C@H](C)(CC)[C@@H](N)C(=O)O SC-09606 [0,1,0,0,0,0|1,0,0]=2 35 B8R0.18 CC(C)[C@@H](CN)C(=O)O SC-A1204 [0,1,0,0,0,0|1,0,0]=2 36 B8R0.18 CCC(C(=O)O)C(=O)O SC-18419 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.27 CC(C)(O)[C@H](N)C(=O)O SC-58234 [0,1,0,0,0,0|0,0,0]=1 38 B8R1.50 O=C1OCC(O)C1O SC-01371 [0,0,0,1,0,0|1,0,0]=2 39 B8R1.77 [C@H]1(C(N)=O)CC1(C)C SC-06657 [0,0,0,1,0,0|3,0,0]=4 40 B8R0.23 CC(=O)N[C@@H](C)C(=O)O SC-09273 [0,0,0,0,0,1|1,0,2]=4 41 B8R0.23 CC(C)CC(O)C(=O)O SC-25183 [0,0,0,0,0,1|2,0,0]=3 42 B8R0.23 CC(C)C[C@H](Cl)C(=O)O SC-08865 [0,0,0,0,0,1|2,0,0]=3 43 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-05405 [0,0,0,0,0,1|1,0,2]=4 44 B8R0.23 NC(CC(=O)O)C(=O)[O-] SC-20735 [0,0,0,0,0,1|1,0,2]=4 45 B8R0.23 NC(CC(F)F)C(=O)O SC-48857 [0,0,0,0,0,1|2,0,0]=3 46 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-15827 [0,0,0,0,0,1|1,0,2]=4 47 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-19578 [0,0,0,0,0,1|1,0,2]=4 48 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-65201 [0,0,0,0,0,1|1,0,2]=4 49 B8R0.23 O=C(O)CC(O)C(=O)O SC-19305 [0,0,0,0,0,1|2,0,1]=4 50 B8R0.23 O=C(O)CC(O)C(=O)O SC-43909 [0,0,0,0,0,1|2,0,1]=4 51 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O SC-04187 [0,0,0,0,0,1|2,0,1]=4 52 B8R0.23 O=C(O)C[C@H](Br)C(=O)O SC-26843 [0,0,0,0,0,1|2,0,1]=4 53 B8R0.23 [C@@H](C)(OC(C)=O)C(=O)O SC-08840 [0,0,0,0,0,1|1,0,2]=4 54 B5R0.1 C=CCC(C)O SC-49226 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.1 CC(=O)NCO SC-19774 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.1 CNCC(=O)[O-] SC-18610 [2,0,0,0,0,0|1,0,1]=4 57 B5R0.1 COCC(=O)O SC-22928 [2,0,0,0,0,0|1,0,0]=3 58 B5R0.1 COCC(C)=O SC-81373 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.1 CSCC(N)=O SC-27108 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.1 O=C(O)CCF SC-53145 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.3 CC(CO)CO SC-20510 [2,0,0,0,0,0|1,0,1]=4 62 B5R0.3 N\C(CO)=N\O SC-29594 [2,0,0,0,0,0|1,0,1]=4 63 B5R0.3 O=CC(O)CO SC-54496 [2,0,0,0,0,0|1,0,0]=3 64 B5R0.5 CC(=O)C(C)Br SC-44476 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.5 CC(C)C(C)N SC-27570 [2,0,0,0,0,0|1,0,1]=4 66 B5R0.5 CC(Cl)C(N)=O SC-50401 [2,0,0,0,0,0|1,0,1]=4 67 B5R0.5 CC(O)C(=O)O SC-15841 [2,0,0,0,0,0|1,0,0]=3 68 B5R0.5 CC(O)C(=O)O SC-18578 [2,0,0,0,0,0|1,0,0]=3 69 B5R0.5 CC(O)C(=O)[O-] SC-15837 [2,0,0,0,0,0|1,0,1]=4 70 B5R0.5 CC(O)C(=O)[O-] SC-18033 [2,0,0,0,0,0|1,0,1]=4 71 B5R0.5 CC(O)C(=O)[O-] SC-46260 [2,0,0,0,0,0|1,0,1]=4 72 B5R0.5 O=C(O)C(=O)O SC-52693 [2,0,0,0,0,0|1,0,1]=4 73 B5R0.5 O=C(O)C(=O)O SC-96241 [2,0,0,0,0,0|1,0,1]=4 74 B5R0.5 [C@@H](C)(N)C(N)=O SC-22084 [2,0,0,0,0,0|1,0,0]=3 75 B7R0.2 CC(C)C\C(N)=N/O SC-56230 [1,1,0,0,0,0|2,0,0]=4 76 B7R0.2 CCC(O)CC(C)O SC-95923 [1,1,0,0,0,0|1,0,1]=4 77 B7R0.2 COC(=O)CC(C)=O SC-65271 [1,1,0,0,0,0|0,0,2]=4 78 B7R0.2 COC(=O)C[C@@H](C)O SC-08902 [1,1,0,0,0,0|0,0,0]=2 79 B7R0.9 CC(C)(C)CC(=O)O SC-22389 [1,1,0,0,0,0|1,0,0]=3 80 B7R0.9 CC(C)(O)CC(=N)N SC-13198 [1,1,0,0,0,0|2,0,0]=4 81 B7R0.9 C[N+](C)(C)CC(=O)O SC-27478 [1,1,0,0,0,0|2,0,0]=4 82 B7R0.9 O=C(O)CP(=O)(O)O SC-48625 [1,1,0,0,0,0|2,0,0]=4 83 B7R0.5 C#CCC(N)C(=O)O SC-70414 [1,1,0,0,0,0|0,0,1]=3 84 B7R0.5 C=CCC(N)C(=O)O SC-14116 [1,1,0,0,0,0|0,0,1]=3 85 B7R0.5 CCC[C@@H](C)C(=O)O SC-43566 [1,1,0,0,0,0|1,0,0]=3 86 B7R0.5 CCC[C@H](C)C(=O)O SC-67603 [1,1,0,0,0,0|1,0,0]=3 87 B7R0.5 CCC[C@H](O)C(=O)O SC-21948 [1,1,0,0,0,0|1,0,0]=3 88 B7R0.5 CC\C=C(/C)C(=O)O SC-62297 [1,1,0,0,0,0|1,0,1]=4 89 B7R0.5 COCC(N)C(=O)O SC-43930 [1,1,0,0,0,0|0,0,0]=2 90 B7R0.5 NCCC(O)C(=O)O SC-16245 [1,1,0,0,0,0|1,0,0]=3 91 B7R0.10 COC(=O)[C@@H](N)CO SC-88547 [1,1,0,0,0,0|0,0,0]=2 92 B7R0.10 COC(=O)[C@H](C)CBr SC-08854 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.10 N[C@@H](CCl)C(=O)NO SC-22009 [1,1,0,0,0,0|1,0,0]=3 94 B7R0.13 CC(N)(CO)C(=O)O SC-73786 [1,1,0,0,0,0|0,0,0]=2 95 B7R0.13 CC(O)(CBr)C(=O)O SC-58676 [1,1,0,0,0,0|2,0,0]=4 96 B7R0.13 CCC(C)(C)C(=O)Cl SC-18452 [1,1,0,0,0,0|2,0,0]=4 97 B7R0.13 CCC(C)(C)C(=O)O SC-15366 [1,1,0,0,0,0|1,0,0]=3 98 B7R0.13 NCC(F)(F)C(=O)O SC-22061 [1,1,0,0,0,0|2,0,0]=4 99 B7R0.13 NCC(F)(F)C(=O)O SC-51906 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.14 CC(C)(C)[C@@H](N)CO SC-32092 [1,1,0,0,0,0|1,0,1]=4 101 B7R0.14 CC(C)(C)[C@H](N)CO SC-31514 [1,1,0,0,0,0|1,0,1]=4 102 B9R0.10 NC(CC(=O)O)C(F)(F)F SC-30344 [0,1,0,0,0,1|2,0,0]=4 103 B9R0.23 COC(=O)C(N)CC(C)C SC-09664 [0,1,0,0,0,1|1,0,0]=3 104 B9R0.23 COC(=O)[C@H](N)CC(=O)O SC-65762 [0,1,0,0,0,1|0,0,2]=4 105 B9R0.23 COC(=O)[C@H](N)CC(C)C SC-24788 [0,1,0,0,0,1|1,0,0]=3 106 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O SC-48910 [0,1,0,0,0,1|1,0,0]=3 107 B9R0.79 NC(C(=O)O)C(N)C(=O)O SC-10250 [0,1,0,0,0,1|1,0,1]=4 108 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O SC-10299 [0,1,0,0,0,1|1,0,1]=4 109 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O SC-10301 [0,1,0,0,0,1|1,0,1]=4 110 B9R0.6 CCCC(C)C(N)C(=O)O SC-45629 [0,2,0,0,0,0|1,0,0]=3 111 B9R0.6 CCOC(=O)[C@@H](N)C(C)C SC-10005 [0,2,0,0,0,0|1,0,0]=3 112 B9R0.25 COC(=O)C(N)C(F)(F)F SC-34081 [0,2,0,0,0,0|2,0,0]=4 113 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC SC-09632 [0,2,0,0,0,0|1,0,0]=3 114 B9R0.27 O=C[C@H](O)[C@@H](O)[C@@H](O)CO SC-22122 [0,2,0,0,0,0|1,0,1]=4 115 B9R0.27 O=C[C@H](O)[C@@H](O)[C@H](O)CO SC-52528 [0,2,0,0,0,0|1,0,1]=4 116 B9R0.72 CC(C)(C)[C@H](CN)C(=O)O SC-48718 [0,2,0,0,0,0|1,0,0]=3 117 B7R1.2 C[C@@H]1COC(=O)C1 SC-45465 [1,0,0,1,0,0|1,0,0]=3 118 B7R1.2 C[C@@H]1COC(=O)N1 SC-43641 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.2 C[C@@H]1COC(=O)N1 SC-51055 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.2 NC1CNC(=O)C1 SC-68325 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.2 N[C@H]1CNC(=O)C1 SC-52716 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.2 O=C1C[C@@H](O)CO1 SC-49425 [1,0,0,1,0,0|0,0,0]=2 123 B7R1.2 O=C1OCC(F)O1 SC-19199 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.2 OC1CCC(O)C1 SC-66165 [1,0,0,1,0,0|1,0,1]=4 125 B7R1.12 CC1CC1C(=O)Cl SC-60998 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.12 CC1CC1C(=O)O SC-71058 [1,0,0,1,0,0|1,0,0]=3 127 B7R1.4 NC1CCNC1=O SC-48795 [1,0,0,1,0,0|1,0,0]=3 128 B7R1.4 NC1CCNC1=O SC-51089 [1,0,0,1,0,0|1,0,0]=3 129 B7R1.4 NC1CONC1=O SC-11124 [1,0,0,1,0,0|1,0,0]=3 130 B7R1.4 N[C@@H]1CCC[C@@H]1O SC-27358 [1,0,0,1,0,0|1,0,1]=4 131 B7R1.4 N[C@H]1CCOC1=O SC-51606 [1,0,0,1,0,0|0,0,0]=2 132 B7R1.4 O=C1NCC[C@@H]1O SC-21960 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.4 O=C1OCC[C@H]1O SC-08904 [1,0,0,1,0,0|1,0,0]=3 134 B7R1.4 O[C@H]1COC[C@H]1O SC-49236 [1,0,0,1,0,0|1,0,1]=4 135 B7R1.4 [C@H]1(N)CCC[C@@H]1O SC-20046 [1,0,0,1,0,0|1,0,1]=4 136 B7R1.18 O=C(O)C1CCN1 SC-53260 [1,0,0,1,0,0|0,0,0]=2 137 B7R1.19 CC(=O)C1(C)CC1 SC-47849 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.19 CC1(C(=O)Cl)CC1 SC-45726 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.19 O=C(O)C1(Cl)CC1 SC-49481 [1,0,0,1,0,0|1,0,0]=3 140 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 SC-88090 [0,0,0,1,0,1|1,0,0]=3 141 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 SC-23776 [0,0,0,1,0,1|1,0,0]=3 142 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 SC-24076 [0,0,0,1,0,1|1,0,0]=3 143 B9R1.35 O=C(O)C1CC(O)CN1 SC-29014 [0,0,0,1,0,1|0,0,0]=2 144 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 SC-52573 [0,0,0,1,0,1|0,0,0]=2 145 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CO1 SC-66730 [0,0,0,1,0,1|1,0,0]=3 146 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SC-52422 [0,0,0,1,0,1|0,0,0]=2 147 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-22199 [0,0,0,1,0,1|0,0,2]=4 148 B9R1.55 C=C1CC(C(=O)O)C1N SC-29613 [0,0,0,1,0,1|1,0,1]=4 149 B9R1.69 CC1NC(=O)CCC1O SC-50315 [0,0,0,1,0,1|2,0,0]=4 150 B9R1.112 C[C@H](NC1CC1)C(=O)O SC-11115 [0,0,0,1,0,1|2,0,0]=4 151 B9R1.112 N[C@@H](CC1CC1)C(=O)O SC-20866 [0,0,0,1,0,1|1,0,0]=3 152 B9R1.41 NC1CCCC1C(=O)O SC-29667 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.41 NC1CCNC1C(=O)O SC-49345 [0,1,0,1,0,0|1,0,0]=3 154 B9R1.41 NC1CCSC1C(=O)O SC-29866 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.41 NC1CSCC1C(=O)O SC-30185 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.93 C=CC1CC1(N)C(=O)O SC-69330 [0,1,0,1,0,0|1,0,0]=3 157 B9R1.93 C=CC1CC1(N)C(=O)O SC-70890 [0,1,0,1,0,0|1,0,0]=3 158 B9R1.101 COC(=O)C(N)C1CC1 SC-26473 [0,1,0,1,0,0|1,0,0]=3 159 B9R1.101 COC(=O)[C@@H](N)C1CC1 SC-94854 [0,1,0,1,0,0|1,0,0]=3 160 B9R1.52 C=C1CC(N)C1C(=O)O SC-29552 [0,1,0,1,0,0|1,0,1]=4 161 B7R0.6 CC(=O)OCC(=O)O SC-65254 [1,0,0,0,0,1|0,0,2]=4 162 B7R0.6 CN(C)CCC(=O)O SC-84792 [1,0,0,0,0,1|2,0,0]=4 163 B9R0.7 CC(C)OC[C@H](N)C(=O)O SC-68757 [0,0,0,0,0,2|1,0,0]=3 164 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SC-49449 [0,0,0,0,0,2|1,0,1]=4