0 B7R0.6 C=C(C)CCC(=O)O SC-31541 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.6 CC(=O)CNC(C)=O SC-72248 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.6 CC(=O)NCB(O)O SC-87534 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 CC(=O)OCC(=O)O SC-65254 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.6 CC(=O)\C=C\C(=O)O SC-94119 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.6 CC(=O)\C=C\N(C)C SC-92543 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.6 CC(C)CCC(=O)O SC-57917 [0,0,0,0,0,0|0,0,2]=2 7 B7R0.6 CC(C)CCC(C)O SC-53086 [0,0,0,0,0,0|1,0,3]=4 8 B7R0.6 CC(C)CC[N+](=O)[O-] SC-93989 [0,0,0,0,0,0|1,0,3]=4 9 B7R0.6 CC(C)OCC(=O)O SC-88240 [0,0,0,0,0,0|1,0,1]=2 10 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.6 CN(C)CCC(=N)N SC-40941 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.6 CN(C)CCC(=O)O SC-84721 [0,0,0,0,0,0|1,0,1]=2 13 B7R0.6 CN(C)CCC(=O)O SC-84792 [0,0,0,0,0,0|1,0,1]=2 14 B7R0.6 CN(C)CCC(=O)O SC-98010 [0,0,0,0,0,0|1,0,1]=2 15 B7R0.6 CN(C)CCC(N)=O SC-89196 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.6 CN(C)\C=C\[N+](=O)[O-] SC-16745 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.6 N=C(N)CCC(N)=O SC-97509 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.6 O=C(O)CC[N+](=O)[O-] SC-89718 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.6 O=C([O-])C#CC(=O)O SC-16425 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.6 O=C([O-])CCC(=O)[O-] SC-50216 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.4 C#CCCC(=O)O SC-51038 [1,0,0,0,0,0|0,0,3]=4 23 B6R0.4 C=C(C)CCCO SC-14313 [1,0,0,0,0,0|0,0,3]=4 24 B6R0.4 C=CCCC(=O)Cl SC-20705 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.4 C=CCCC(=O)O SC-25836 [1,0,0,0,0,0|0,0,2]=3 26 B6R0.4 C=CCNC(C)=O SC-48071 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.4 C=CNCC(=O)O SC-20808 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.4 C=CNCC(=O)O SC-21370 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.4 CC(=O)OCCO SC-95931 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.4 CC(C)=CCCBr SC-A5828 [1,0,0,0,0,0|1,0,1]=3 31 B6R0.4 CC(C)=NNC=O SC-26098 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.4 CC(C)CCCO SC-67391 [1,0,0,0,0,0|0,0,3]=4 33 B6R0.4 CCCCC(=O)Cl SC-46867 [1,0,0,0,0,0|1,0,2]=4 34 B6R0.4 CC\C=C\C(=O)O SC-92876 [1,0,0,0,0,0|0,0,2]=3 35 B6R0.4 CN(C)\C=C\C=O SC-19334 [1,0,0,0,0,0|1,0,1]=3 36 B6R0.4 CNCCC(=O)O SC-27492 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.4 CNCCC(=O)O SC-52914 [1,0,0,0,0,0|1,0,1]=3 38 B6R0.4 COCCC(=O)O SC-50255 [1,0,0,0,0,0|1,0,1]=3 39 B6R0.4 CO\C=C\C(C)=O SC-71024 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.4 CSCCC(=O)O SC-96567 [1,0,0,0,0,0|1,0,1]=3 41 B6R0.4 C\C=C\CC(=O)O SC-10968 [1,0,0,0,0,0|0,0,0]=1 42 B6R0.4 N#CCCC(=O)O SC-49854 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.4 NCCCC(=O)O SC-10045 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.4 O=C(O)CCCBr SC-02994 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.4 O=C(O)CCCCl SC-89723 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.4 O=C(O)\C=C\CBr SC-53654 [1,0,0,0,0,0|1,0,2]=4 47 B8R0.9 CC(=O)OCC(=O)CCl SC-53558 [0,1,0,0,0,0|3,0,0]=4 48 B8R0.9 CC(C)CCC(=O)NN SC-59735 [0,1,0,0,0,0|1,0,2]=4 49 B8R0.9 CC(CCl)CCC(=O)Cl SC-A5387 [0,1,0,0,0,0|1,0,2]=4 50 B8R0.9 CCC(=O)CCC(=O)O SC-58454 [0,1,0,0,0,0|1,0,1]=3 51 B8R0.9 CNC(=O)CCC(=O)O SC-70809 [0,1,0,0,0,0|1,0,1]=3 52 B8R0.9 COC(=O)CCC(=O)Cl SC-13608 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.9 COC(=O)CCC(C)=O SC-74448 [0,1,0,0,0,0|1,0,1]=3 54 B8R0.9 COC(=O)CCC(N)=O SC-88449 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.9 COC(=O)CNC(C)=O SC-66088 [0,1,0,0,0,0|2,0,0]=3 56 B8R0.9 COC(=O)NCC(=O)O SC-01599 [0,1,0,0,0,0|2,0,0]=3 57 B8R0.9 COC(=O)\C=C\C(=O)[O-] SC-65689 [0,1,0,0,0,0|1,0,2]=4 58 B8R0.9 NCC(=O)CCC(=O)O SC-15622 [0,1,0,0,0,0|1,0,1]=3 59 B8R0.9 NCC(=O)CCC(=O)O SC-52394 [0,1,0,0,0,0|1,0,1]=3 60 B8R0.23 C=C(Br)C[C@H](N)C(=O)O SC-A2609 [0,1,0,0,0,0|1,0,2]=4 61 B8R0.23 C=C(CC(=O)O)C(=O)O SC-75279 [0,1,0,0,0,0|2,0,0]=3 62 B8R0.23 C=C(NC(C)=O)C(=O)O SC-48847 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.23 CC(=O)C(C)CC(=O)O SC-21504 [0,1,0,0,0,0|1,0,1]=3 64 B8R0.23 CC(=O)NC(C)C(=O)O SC-19084 [0,1,0,0,0,0|2,0,0]=3 65 B8R0.23 CC(=O)N[C@@H](C)C(=O)O SC-09273 [0,1,0,0,0,0|2,0,0]=3 66 B8R0.23 CC(C)CC(=O)C(=O)O SC-13856 [0,1,0,0,0,0|0,0,3]=4 67 B8R0.23 CC(C)CC(Br)C(=O)O SC-A4035 [0,1,0,0,0,0|0,0,2]=3 68 B8R0.23 CC(C)CC(N)C(=O)O SC-09638 [0,1,0,0,0,0|0,0,2]=3 69 B8R0.23 CC(C)CC(N)C(=O)O SC-09639 [0,1,0,0,0,0|0,0,2]=3 70 B8R0.23 CC(C)CC(O)C(=O)O SC-08876 [0,1,0,0,0,0|0,0,2]=3 71 B8R0.23 CC(C)CC(O)C(=O)O SC-25183 [0,1,0,0,0,0|0,0,2]=3 72 B8R0.23 CC(C)C[C@@H](N)C(=O)O SC-09637 [0,1,0,0,0,0|0,0,2]=3 73 B8R0.23 CC(C)C[C@@H](O)C(=O)O SC-13459 [0,1,0,0,0,0|0,0,2]=3 74 B8R0.23 CC(C)C[C@H](Cl)C(=O)O SC-08865 [0,1,0,0,0,0|0,0,2]=3 75 B8R0.23 CC(C)C[C@H](N)C(N)=O SC-09656 [0,1,0,0,0,0|1,0,2]=4 76 B8R0.23 CC(CC(=O)O)C(=O)O SC-51763 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.23 CN(CC(=O)O)C(=N)N SC-46919 [0,1,0,0,0,0|3,0,0]=4 78 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SC-08886 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SC-09347 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.23 NC(=O)NC(O)C(=O)O SC-49973 [0,1,0,0,0,0|3,0,0]=4 81 B8R0.23 NC(CC(=O)O)C(=O)[O-] SC-20735 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-15827 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-19578 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-65201 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.23 O=C(O)CC(=O)C(=O)O SC-26830 [0,1,0,0,0,0|2,0,0]=3 86 B8R0.23 O=C(O)CC(O)C(=O)O SC-19305 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.23 O=C(O)CC(O)C(=O)O SC-43909 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O SC-04187 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.23 O=C(O)C[C@@H](O)C(=O)O SC-05990 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.23 O=C(O)C[C@H](Br)C(=O)O SC-26843 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.23 [C@@H](C)(OC(C)=O)C(=O)O SC-08840 [0,1,0,0,0,0|2,0,0]=3 92 B8R0.29 CC(C)(C)CCC(=O)O SC-49427 [0,1,0,0,0,0|0,0,2]=3 93 B8R0.29 CC(C)(C)NCC(=O)O SC-82899 [0,1,0,0,0,0|1,0,1]=3 94 B8R0.29 CC(C)(C)OCC(=O)O SC-46034 [0,1,0,0,0,0|1,0,1]=3 95 B8R0.29 CC(F)(F)CCC(=O)O SC-34612 [0,1,0,0,0,0|1,0,2]=4 96 B8R0.29 C[Si](C)(C)C#CC(=O)O SC-71681 [0,1,0,0,0,0|0,1,2]=4 97 B8R1.3 CC1=CC=C(O)C=C1 SC-47195 [0,0,0,1,0,0|1,0,2]=4 98 B8R1.3 CC1=CCC(=O)CC1 SC-83877 [0,0,0,1,0,0|1,0,0]=2 99 B8R1.3 CC1=CN=C(O)C=C1 SC-13580 [0,0,0,1,0,0|1,0,2]=4 100 B8R1.3 CC1=CN=C(O)C=C1 SC-90448 [0,0,0,1,0,0|1,0,2]=4 101 B8R1.3 CC1=CN=C(O)C=N1 SC-49132 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.3 CC1=NC=C(O)C=C1 SC-00370 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.3 CC1=NNC(=O)C=C1 SC-21006 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.3 CC1CCC(=O)CC1 SC-27685 [0,0,0,1,0,0|1,0,2]=4 105 B8R1.3 CN1CCC(=O)CC1 SC-01124 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.3 O=C1CCC(=O)CC1 SC-15336 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.3 O=C1COC(=O)CO1 SC-86894 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.23 C=C1CC(C(=O)O)C1 SC-20999 [0,0,0,1,0,0|0,0,2]=3 109 B8R1.23 CC(=O)N1CC(=O)C1 SC-49225 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.23 CC1CC(C(=O)O)C1 SC-73078 [0,0,0,1,0,0|0,0,2]=3 111 B8R1.23 CN1CC(C(=O)O)C1 SC-49053 [0,0,0,1,0,0|1,0,1]=3 112 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SC-48610 [0,0,0,1,0,0|1,0,2]=4 113 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SC-70419 [0,0,0,1,0,0|1,0,2]=4 114 B8R1.23 O=C(O)C1CC(F)C1 SC-26589 [0,0,0,1,0,0|1,0,2]=4 115 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SC-96294 [0,0,0,1,0,0|1,0,2]=4 116 B8R1.23 O=C1CC(C(=O)O)C1 SC-14962 [0,0,0,1,0,0|1,0,1]=3 117 B8R1.23 O=C1CC(C(=O)O)N1 SC-51258 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.23 [C@@H]1(C(=O)O)CC(=O)N1 SC-15020 [0,0,0,1,0,0|2,0,0]=3 119 B8R1.35 O=C(O)CCC1CC1 SC-31428 [0,0,0,1,0,0|0,0,2]=3 120 B8R1.35 O=C(O)\C=C\C1CC1 SC-39438 [0,0,0,1,0,0|0,0,2]=3 121 B8R1.51 CC1(C)C=CC(=O)C1 SC-91103 [0,0,0,1,0,0|1,0,2]=4 122 B8R1.51 CC1(C)CCC(=O)O1 SC-21203 [0,0,0,1,0,0|0,0,2]=3 123 B6R0.2 C=C(C)CC(=O)O SC-31698 [0,0,0,0,1,0|0,0,1]=2 124 B6R0.2 CC(=O)CC(=O)O SC-69749 [0,0,0,0,1,0|1,0,0]=2 125 B6R0.2 CC(=O)CC(C)=O SC-68118 [0,0,0,0,1,0|2,0,0]=3 126 B6R0.2 CC(=O)CC(C)=O SC-77723 [0,0,0,0,1,0|2,0,0]=3 127 B6R0.2 CC(=O)NC(C)C SC-A3057 [0,0,0,0,1,0|2,0,1]=4 128 B6R0.2 CC(=O)NC(N)=O SC-87858 [0,0,0,0,1,0|3,0,0]=4 129 B6R0.2 CC(=O)[CH-]C(C)=O SC-19438 [0,0,0,0,1,0|2,0,1]=4 130 B6R0.2 CC(=O)\C=C(\C)N SC-89382 [0,0,0,0,1,0|2,0,0]=3 131 B6R0.2 CC(=O)\C=C(\C)O SC-20333 [0,0,0,0,1,0|2,0,0]=3 132 B6R0.2 CC(=O)\C=C(\C)O SC-67757 [0,0,0,0,1,0|2,0,0]=3 133 B6R0.2 CC(C)=CC(=O)Cl SC-17934 [0,0,0,0,1,0|1,0,0]=2 134 B6R0.2 CC(C)=CC(=O)O SC-16257 [0,0,0,0,1,0|0,0,0]=1 135 B6R0.2 CC(C)CB(O)O SC-06923 [0,0,0,0,1,0|1,0,2]=4 136 B6R0.2 CC(C)CC(=N)N SC-40541 [0,0,0,0,1,0|2,0,1]=4 137 B6R0.2 CC(C)OC(=O)Cl SC-26628 [0,0,0,0,1,0|2,0,1]=4 138 B6R0.2 CC(O)CC(=O)[O-] SC-85388 [0,0,0,0,1,0|1,0,2]=4 139 B6R0.2 CN(C)CC(=O)Cl SC-48853 [0,0,0,0,1,0|2,0,0]=3 140 B6R0.2 CN(C)CC(=O)O SC-09555 [0,0,0,0,1,0|1,0,0]=2 141 B6R0.2 CN(C)CC(=O)O SC-51828 [0,0,0,0,1,0|1,0,0]=2 142 B6R0.2 CN(C)CC(N)=O SC-89197 [0,0,0,0,1,0|2,0,0]=3 143 B6R0.2 CN(C)CC(N)=S SC-62281 [0,0,0,0,1,0|2,1,0]=4 144 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [0,0,0,0,1,0|1,0,1]=3 145 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [0,0,0,0,1,0|1,0,1]=3 146 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [0,0,0,0,1,0|1,0,1]=3 147 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [0,0,0,0,1,0|1,0,1]=3 148 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [0,0,0,0,1,0|1,0,1]=3 149 B6R0.2 NC(=O)CC(N)=O SC-47182 [0,0,0,0,1,0|3,0,0]=4 150 B6R0.2 O=C(Cl)CC(=O)Cl SC-98168 [0,0,0,0,1,0|3,0,0]=4 151 B6R0.2 O=C(O)CC(=O)O SC-77641 [0,0,0,0,1,0|2,0,0]=3 152 B6R0.2 O=C([O-])CC(=O)[O-] SC-94719 [0,0,0,0,1,0|2,0,1]=4 153 B8R0.28 C=C(C)CCCC(=O)O SC-31519 [0,0,0,0,0,1|0,0,2]=3 154 B8R0.28 C=C(C)\C=C\OC(C)=O SC-31173 [0,0,0,0,0,1|1,0,2]=4 155 B8R0.28 CC(=O)C\C=C\C(=O)O SC-70039 [0,0,0,0,0,1|1,0,1]=3 156 B8R0.28 CC(C)C\C=C\C(=O)O SC-96534 [0,0,0,0,0,1|0,0,2]=3 157 B8R0.28 CN(C)C\C=C\C(=O)O SC-20214 [0,0,0,0,0,1|1,0,1]=3 158 B8R0.28 CN(C)C\C=C\C(=O)O SC-82699 [0,0,0,0,0,1|1,0,1]=3 159 B8R0.28 N=C(N)NCCC(=O)O SC-46005 [0,0,0,0,0,1|2,0,1]=4 160 B8R0.28 O=C(O)CNCC(=O)O SC-79871 [0,0,0,0,0,1|2,0,1]=4 161 B8R0.28 O=C(O)COCC(=O)O SC-93218 [0,0,0,0,0,1|2,0,1]=4 162 B8R0.28 O=C(O)\C=C\CC(=O)O SC-37894 [0,0,0,0,0,1|2,0,0]=3 163 B5R0.1 C#CCC(=O)O SC-40344 [2,0,0,0,0,0|0,0,2]=4 164 B5R0.1 C=C(C)CCO SC-28771 [2,0,0,0,0,0|0,0,2]=4 165 B5R0.1 C=CCC(=O)O SC-49093 [2,0,0,0,0,0|0,0,0]=2 166 B5R0.1 C=CCC(C)O SC-49226 [2,0,0,0,0,0|1,0,1]=4 167 B5R0.1 C=CC[C@H](C)O SC-70432 [2,0,0,0,0,0|1,0,1]=4 168 B5R0.1 CC#CC(=O)O SC-76460 [2,0,0,0,0,0|0,0,2]=4 169 B5R0.1 CC(=O)C=C=O SC-76855 [2,0,0,0,0,0|1,0,1]=4 170 B5R0.1 CC(=O)CCO SC-65678 [2,0,0,0,0,0|1,0,1]=4 171 B5R0.1 CC(=O)NCO SC-19774 [2,0,0,0,0,0|2,0,0]=4 172 B5R0.1 CC(=O)\C=N/O SC-89466 [2,0,0,0,0,0|2,0,0]=4 173 B5R0.1 CC(=O)\C=N\O SC-51367 [2,0,0,0,0,0|2,0,0]=4 174 B5R0.1 CC(=O)\C=N\O SC-68143 [2,0,0,0,0,0|2,0,0]=4 175 B5R0.1 CC(C)=CC#N SC-47932 [2,0,0,0,0,0|1,0,1]=4 176 B5R0.1 CC(C)=CC=O SC-00290 [2,0,0,0,0,0|0,0,0]=2 177 B5R0.1 CC(C)=CCBr SC-13678 [2,0,0,0,0,0|1,0,0]=3 178 B5R0.1 CC(C)=CCBr SC-61636 [2,0,0,0,0,0|1,0,0]=3 179 B5R0.1 CC(C)=CCCl SC-16279 [2,0,0,0,0,0|1,0,0]=3 180 B5R0.1 CC(C)=CCN SC-51952 [2,0,0,0,0,0|1,0,0]=3 181 B5R0.1 CCCC(=O)[O-] SC-15718 [2,0,0,0,0,0|0,0,2]=4 182 B5R0.1 CN(C)CC=O SC-51643 [2,0,0,0,0,0|1,0,0]=3 183 B5R0.1 CN(C)CC=O SC-88142 [2,0,0,0,0,0|1,0,0]=3 184 B5R0.1 CN(C)CCO SC-87330 [2,0,0,0,0,0|1,0,1]=4 185 B5R0.1 CNCC(N)=O SC-10429 [2,0,0,0,0,0|2,0,0]=4 186 B5R0.1 COCC(=O)Cl SC-27381 [2,0,0,0,0,0|2,0,0]=4 187 B5R0.1 CSCC(N)=O SC-27108 [2,0,0,0,0,0|2,0,0]=4 188 B5R0.1 C\C=C/C(C)=O SC-48085 [2,0,0,0,0,0|1,0,0]=3 189 B5R0.1 C\C=C\B(O)O SC-15014 [2,0,0,0,0,0|1,0,1]=4 190 B5R0.1 C\C=C\C(=O)Cl SC-16256 [2,0,0,0,0,0|1,0,0]=3 191 B5R0.1 C\C=C\C(=O)O SC-25924 [2,0,0,0,0,0|0,0,0]=2 192 B5R0.1 C\C=C\[N+](=O)[O-] SC-65946 [2,0,0,0,0,0|1,0,1]=4 193 B5R0.1 O=C(O)CCF SC-53145 [2,0,0,0,0,0|1,0,1]=4 194 B5R0.1 O=C(O)CCS SC-22642 [2,0,0,0,0,0|1,0,1]=4 195 B5R0.2 CC#CCC=O SC-89818 [2,0,0,0,0,0|0,0,2]=4 196 B5R0.2 COCCC=O SC-85357 [2,0,0,0,0,0|1,0,1]=4 197 B5R0.2 O=CCCC=O SC-13455 [2,0,0,0,0,0|1,0,1]=4 198 B7R0.2 CCC(N)CC(=O)O SC-59260 [1,1,0,0,0,0|0,0,2]=4 199 B7R0.2 COC(=O)CC(=O)O SC-21351 [1,1,0,0,0,0|1,0,0]=3 200 B7R0.2 COC(=O)CC(N)=O SC-67031 [1,1,0,0,0,0|2,0,0]=4 201 B7R0.2 C\C(C=O)=C/N(C)C SC-93331 [1,1,0,0,0,0|1,0,1]=4 202 B7R0.3 C=CCCC(=O)OC SC-85069 [1,1,0,0,0,0|0,0,2]=4 203 B7R0.3 CC\C=C\C(=O)OC SC-62851 [1,1,0,0,0,0|0,0,2]=4 204 B7R0.3 COC(=O)CCC=O SC-47529 [1,1,0,0,0,0|1,0,1]=4 205 B7R0.3 COCCC(=O)OC SC-46379 [1,1,0,0,0,0|1,0,1]=4 206 B7R0.3 CO\C=C\C(=O)OC SC-62260 [1,1,0,0,0,0|1,0,1]=4 207 B7R0.3 CO\C=C\C(=O)OC SC-90792 [1,1,0,0,0,0|1,0,1]=4 208 B7R0.4 C=CCCCC(=O)O SC-93956 [1,1,0,0,0,0|0,0,2]=4 209 B7R0.4 C=CCNCC(=O)O SC-74362 [1,1,0,0,0,0|0,0,2]=4 210 B7R0.4 C=CCOCC(=O)O SC-35140 [1,1,0,0,0,0|0,0,2]=4 211 B7R0.4 C=CCOCC(=O)O SC-49027 [1,1,0,0,0,0|0,0,2]=4 212 B7R0.4 CCCNCC(=O)O SC-97541 [1,1,0,0,0,0|0,0,2]=4 213 B7R0.4 CCCSCC(=O)O SC-45283 [1,1,0,0,0,0|0,0,2]=4 214 B7R0.4 CCC\C=C\C(=O)O SC-39942 [1,1,0,0,0,0|0,0,2]=4 215 B7R0.4 CCO\C=C\C(=O)O SC-89061 [1,1,0,0,0,0|0,0,2]=4 216 B7R0.4 CNCCCC(=O)O SC-49793 [1,1,0,0,0,0|0,0,2]=4 217 B7R0.4 CNCCCC(=O)O SC-A2900 [1,1,0,0,0,0|0,0,2]=4 218 B7R0.4 COCCCC(=O)O SC-51378 [1,1,0,0,0,0|0,0,2]=4 219 B7R0.4 C\C=C\CCC(=O)O SC-21245 [1,1,0,0,0,0|0,0,0]=2 220 B7R0.4 NCCCCC(=O)O SC-10120 [1,1,0,0,0,0|0,0,2]=4 221 B7R0.4 NCCCCC(=O)O SC-92391 [1,1,0,0,0,0|0,0,2]=4 222 B7R0.4 NCCNCC(=O)O SC-21750 [1,1,0,0,0,0|1,0,1]=4 223 B7R0.4 O=C(O)CCCCBr SC-02338 [1,1,0,0,0,0|0,0,2]=4 224 B7R0.5 C=CCC(N)C(=O)O SC-10031 [1,1,0,0,0,0|0,0,2]=4 225 B7R0.5 C=CCC(N)C(=O)O SC-10032 [1,1,0,0,0,0|0,0,2]=4 226 B7R0.5 C=CCC(N)C(=O)O SC-14116 [1,1,0,0,0,0|0,0,2]=4 227 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [1,1,0,0,0,0|0,0,2]=4 228 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [1,1,0,0,0,0|0,0,2]=4 229 B7R0.5 CCCC(Br)C(=O)O SC-27020 [1,1,0,0,0,0|0,0,2]=4 230 B7R0.5 CCC[C@@H](C)C(=O)O SC-43566 [1,1,0,0,0,0|0,0,2]=4 231 B7R0.5 CCC[C@H](C)C(=O)O SC-67603 [1,1,0,0,0,0|0,0,2]=4 232 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [1,1,0,0,0,0|0,0,2]=4 233 B7R0.5 CCC[C@H](O)C(=O)O SC-21948 [1,1,0,0,0,0|0,0,2]=4 234 B7R0.5 CC\C=C(/C)C(=O)O SC-62297 [1,1,0,0,0,0|0,0,2]=4 235 B7R0.5 COCC(N)C(=O)O SC-43930 [1,1,0,0,0,0|1,0,1]=4 236 B7R0.5 COC[C@@H](N)C(=O)O SC-44175 [1,1,0,0,0,0|1,0,1]=4 237 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [1,1,0,0,0,0|1,0,1]=4 238 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [1,1,0,0,0,0|1,0,1]=4 239 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [1,1,0,0,0,0|1,0,1]=4 240 B7R0.9 CC(=O)CC(C)(C)S SC-82919 [0,1,0,0,1,0|1,0,1]=4 241 B7R0.9 CC(C)(N)CC(=O)O SC-43668 [0,1,0,0,1,0|0,0,1]=3 242 B7R0.9 CC(C)(O)CC(=O)[O-] SC-17999 [0,1,0,0,1,0|0,0,2]=4 243 B7R0.9 CC(C)=CS(N)(=O)=O SC-32958 [0,1,0,0,1,0|1,0,1]=4 244 B7R0.9 CS(=O)(=O)CC(=O)O SC-23267 [0,1,0,0,1,0|2,0,0]=4 245 B7R0.9 C[N+](C)(C)CC(=O)O SC-27478 [0,1,0,0,1,0|1,0,0]=3 246 B7R0.16 CC(=O)C(C)C(C)=O SC-08152 [0,1,0,0,1,0|2,0,0]=4 247 B7R0.16 CC(C(=O)O)C(=O)O SC-16059 [0,1,0,0,1,0|2,0,0]=4 248 B7R0.16 CC(C)C(=O)C(=O)O SC-27422 [0,1,0,0,1,0|0,0,1]=3 249 B7R0.16 CC(C)C(=O)C(=O)[O-] SC-13686 [0,1,0,0,1,0|0,0,2]=4 250 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [0,1,0,0,1,0|0,0,1]=3 251 B7R0.16 CC(C)C(O)C(=O)O SC-08874 [0,1,0,0,1,0|0,0,1]=3 252 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [0,1,0,0,1,0|0,0,1]=3 253 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [0,1,0,0,1,0|0,0,1]=3 254 B7R0.16 CC(C)[C@H](N)C(N)=O SC-19666 [0,1,0,0,1,0|1,0,1]=4 255 B7R0.16 CC(N)C(N)C(=O)O SC-10139 [0,1,0,0,1,0|1,0,1]=4 256 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [0,1,0,0,1,0|1,0,1]=4 257 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [0,1,0,0,1,0|1,0,1]=4 258 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [0,1,0,0,1,0|1,0,1]=4 259 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [0,1,0,0,1,0|1,0,1]=4 260 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [0,1,0,0,1,0|1,0,1]=4 261 B7R0.16 [C@@H](Cl)(C(=O)O)C(C)C SC-03021 [0,1,0,0,1,0|0,0,1]=3 262 B9R0.1 C=C\C(C)=C\CC=C(C)C SC-20483 [0,1,0,0,0,1|2,0,0]=4 263 B9R0.1 CC(C)=CCCC(C)C=O SC-79180 [0,1,0,0,0,1|1,0,1]=4 264 B9R0.1 COC(=O)CCCC(=O)O SC-85837 [0,1,0,0,0,1|1,0,1]=4 265 B9R0.1 COC(=O)CCCC(C)=O SC-A5811 [0,1,0,0,0,1|1,0,1]=4 266 B9R0.1 COC(=O)CSCC(C)=O SC-68739 [0,1,0,0,0,1|1,0,1]=4 267 B9R0.7 C=C(C)CC[C@H](C)C(=O)O SC-31724 [0,1,0,0,0,1|0,0,2]=4 268 B9R0.7 CC(=O)N(C)CCC(=O)O SC-21566 [0,1,0,0,0,1|1,0,1]=4 269 B9R0.7 CC(C)=CCC(N)C(=O)O SC-22867 [0,1,0,0,0,1|0,0,0]=2 270 B9R0.7 CC(C)CC[C@H](N)C(=O)O SC-93270 [0,1,0,0,0,1|0,0,2]=4 271 B9R0.7 CC(C)OC[C@H](N)C(=O)O SC-68757 [0,1,0,0,0,1|0,0,2]=4 272 B9R0.7 CC(Cl)C(=O)NCC(=O)O SC-73815 [0,1,0,0,0,1|1,0,1]=4 273 B9R0.7 CC(S)C(=O)NCC(=O)O SC-26620 [0,1,0,0,0,1|1,0,1]=4 274 B9R0.53 CC(C)C[C@H](N)CC(=O)O SC-26176 [0,1,0,0,0,1|0,0,2]=4 275 B9R0.53 CC(C)OC(=O)CC(=O)O SC-31951 [0,1,0,0,0,1|0,0,1]=3 276 B9R0.21 COC(=O)COC(C)(C)C SC-72826 [0,2,0,0,0,0|1,0,1]=4 277 B9R0.23 C=C(CC(=O)[O-])C(=O)OC SC-A2138 [0,2,0,0,0,0|1,0,1]=4 278 B9R0.23 CCN(C)C(=O)CC(N)=O SC-46305 [0,2,0,0,0,0|2,0,0]=4 279 B9R0.23 COC(=O)C(=O)CC(C)=O SC-50826 [0,2,0,0,0,0|2,0,0]=4 280 B9R0.23 COC(=O)C(N)CC(C)C SC-09664 [0,2,0,0,0,0|0,0,2]=4 281 B9R0.23 COC(=O)[C@@H](N)CC(=O)O SC-24738 [0,2,0,0,0,0|1,0,1]=4 282 B9R0.23 COC(=O)[C@H](N)CC(=O)O SC-65762 [0,2,0,0,0,0|1,0,1]=4 283 B9R0.23 COC(=O)[C@H](N)CC(C)C SC-24788 [0,2,0,0,0,0|0,0,2]=4 284 B9R0.24 COC(=O)CCC(=O)CN SC-01776 [0,2,0,0,0,0|1,0,1]=4 285 B9R0.42 COC(=O)CC(=O)C(C)Br SC-A0012 [0,2,0,0,0,0|1,0,1]=4 286 B9R0.42 COC(=O)CC(=O)C(C)C SC-27474 [0,2,0,0,0,0|0,0,1]=3 287 B9R0.42 COC(=O)CC(N)C(=O)O SC-34732 [0,2,0,0,0,0|1,0,1]=4 288 B9R0.42 COC(=O)C[C@H](N)C(=O)O SC-09414 [0,2,0,0,0,0|1,0,1]=4 289 B9R0.42 COC(=O)C[C@H](N)C(=O)O SC-49628 [0,2,0,0,0,0|1,0,1]=4 290 B9R0.48 CC(C)CCC(=O)OCCl SC-69819 [0,2,0,0,0,0|0,0,2]=4 291 B9R0.48 CCOC(=O)CCC(=O)O SC-48671 [0,2,0,0,0,0|1,0,1]=4 292 B9R0.48 CCOC(=O)CCC(C)C SC-41649 [0,2,0,0,0,0|0,0,2]=4 293 B9R0.48 CCOC(=O)\C=C\C(=O)O SC-17455 [0,2,0,0,0,0|1,0,1]=4 294 B9R0.48 CCOC(=O)\C=C\N(C)C SC-71571 [0,2,0,0,0,0|1,0,1]=4 295 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O SC-A4616 [0,2,0,0,0,0|0,0,2]=4 296 B9R0.11 CC(C)C[C@](C)(N)C(=O)O SC-A4612 [0,2,0,0,0,0|0,0,2]=4 297 B9R0.11 CC(C)S(=O)(=O)CC(=O)O SC-38688 [0,2,0,0,0,0|1,0,1]=4 298 B9R0.39 CC(=O)N[C@H](CS)C(=O)O SC-68544 [0,2,0,0,0,0|2,0,0]=4 299 B9R0.39 CN[C@@H](CC(C)C)C(=O)O SC-82208 [0,2,0,0,0,0|0,0,2]=4 300 B9R0.39 CN[C@@H](CC(C)C)C(=O)O SC-A5131 [0,2,0,0,0,0|0,0,2]=4 301 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-20148 [0,2,0,0,0,0|0,0,2]=4 302 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-70362 [0,2,0,0,0,0|0,0,2]=4 303 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O SC-52818 [0,2,0,0,0,0|0,0,2]=4 304 B9R0.79 CC(C)C(O)C(N)C(=O)O SC-48909 [0,2,0,0,0,0|0,0,2]=4 305 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O SC-48910 [0,2,0,0,0,0|0,0,2]=4 306 B7R1.2 CC1=CC(=O)CC1 SC-18727 [1,0,0,1,0,0|0,0,2]=4 307 B7R1.2 CC1=CC=C(Br)O1 SC-66940 [1,0,0,1,0,0|1,0,1]=4 308 B7R1.2 CC1=CN=C(N)O1 SC-26572 [1,0,0,1,0,0|2,0,0]=4 309 B7R1.2 CC1CCC(=O)C1 SC-93748 [1,0,0,1,0,0|0,0,2]=4 310 B7R1.2 C[C@@H]1CCC(=O)O1 SC-65777 [1,0,0,1,0,0|0,0,2]=4 311 B7R1.2 C[C@H]1CCC(=O)O1 SC-86851 [1,0,0,1,0,0|0,0,2]=4 312 B7R1.2 O=C1CCC(=O)C1 SC-15331 [1,0,0,1,0,0|1,0,1]=4 313 B7R1.2 O=C1CNC(=O)C1 SC-88883 [1,0,0,1,0,0|2,0,0]=4 314 B7R1.2 O=C1CNC(=O)O1 SC-21301 [1,0,0,1,0,0|2,0,0]=4 315 B7R1.2 O=C1COC(=O)C1 SC-86968 [1,0,0,1,0,0|2,0,0]=4 316 B7R1.3 CC1=CCCCC1 SC-99243 [1,0,0,1,0,0|1,0,1]=4 317 B7R1.3 CC1=CCCNC1 SC-82898 [1,0,0,1,0,0|1,0,1]=4 318 B7R1.3 CC1=CCNCC1 SC-B8899 [1,0,0,1,0,0|2,0,0]=4 319 B7R1.3 O=C1CCCCO1 SC-65111 [1,0,0,1,0,0|0,0,2]=4 320 B7R1.3 O=C1CNCCO1 SC-84883 [1,0,0,1,0,0|1,0,1]=4 321 B7R1.3 OC1CC=CCC1 SC-87372 [1,0,0,1,0,0|1,0,1]=4 322 B7R1.12 CC1CC1C(=O)O SC-71058 [1,0,0,1,0,0|0,0,2]=4 323 B7R1.18 O=C(O)C1CCC1 SC-17776 [1,0,0,1,0,0|0,0,2]=4 324 B7R1.18 O=C(O)C1CCN1 SC-53260 [1,0,0,1,0,0|1,0,1]=4 325 B7R1.18 O=C(O)C1CCO1 SC-22549 [1,0,0,1,0,0|1,0,1]=4 326 B7R1.18 O=C(O)C1COC1 SC-48326 [1,0,0,1,0,0|1,0,1]=4 327 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [1,0,0,1,0,0|1,0,1]=4 328 B7R1.20 O=C(O)CC1CC1 SC-13938 [1,0,0,1,0,0|0,0,2]=4 329 B9R1.35 CC1=CC=C(C(=O)O)N1 SC-94836 [0,0,0,1,0,1|1,0,1]=4 330 B9R1.35 CC1=CC=C(C(=O)O)O1 SC-20513 [0,0,0,1,0,1|1,0,1]=4 331 B9R1.35 CC1=CC=C(C(=O)O)S1 SC-02082 [0,0,0,1,0,1|1,0,1]=4 332 B9R1.35 CC1=CNC(C(=O)O)=C1 SC-36204 [0,0,0,1,0,1|0,0,2]=4 333 B9R1.35 CC1=NC(C(=O)O)=CN1 SC-48423 [0,0,0,1,0,1|1,0,1]=4 334 B9R1.35 CC1=NC(C(=O)O)=CO1 SC-30359 [0,0,0,1,0,1|1,0,1]=4 335 B9R1.35 CC1=NC(C(=O)O)=CO1 SC-66016 [0,0,0,1,0,1|1,0,1]=4 336 B9R1.35 CC1=NC(C(=O)O)=CS1 SC-27449 [0,0,0,1,0,1|1,0,1]=4 337 B9R1.35 CC1=NC=C(C(=O)O)O1 SC-43630 [0,0,0,1,0,1|1,0,1]=4 338 B9R1.35 CC1=NC=C(C(=O)O)S1 SC-31817 [0,0,0,1,0,1|1,0,1]=4 339 B9R1.35 CN1CCC(C(=O)O)C1 SC-71513 [0,0,0,1,0,1|1,0,1]=4 340 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 SC-95196 [0,0,0,1,0,1|1,0,1]=4 341 B9R1.35 O=C1CCC(C(=O)O)C1 SC-28724 [0,0,0,1,0,1|1,0,1]=4 342 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-22199 [0,0,0,1,0,1|1,0,1]=4 343 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-52091 [0,0,0,1,0,1|1,0,1]=4 344 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 SC-51331 [0,0,0,1,0,1|1,0,1]=4 345 B9R1.10 CC1(C)OCC(=O)CO1 SC-44045 [0,1,0,1,0,0|1,0,1]=4 346 B9R1.55 C=C1CC(C(=O)O)C1N SC-29613 [0,1,0,1,0,0|0,0,2]=4 347 B9R1.69 CC1=C(C)NC(=O)C=C1 SC-A4851 [0,1,0,1,0,0|1,0,1]=4 348 B9R1.69 CN1CCC(=O)CC1=O SC-A3321 [0,1,0,1,0,0|2,0,0]=4 349 B9R1.82 C=C1CC(C(=O)OC)C1 SC-48884 [0,1,0,1,0,0|0,0,2]=4 350 B9R1.82 COC(=O)C1CC(=O)C1 SC-21555 [0,1,0,1,0,0|1,0,1]=4 351 B9R1.84 O=C(O)CCC1CCC1 SC-30968 [0,1,0,1,0,0|0,0,2]=4 352 B9R1.84 O=C(O)CNC1CCC1 SC-53570 [0,1,0,1,0,0|1,0,1]=4 353 B9R1.84 O=C(O)\C=C\C1CCC1 SC-14219 [0,1,0,1,0,0|0,0,2]=4 354 B9R1.95 COC1CC(C(=O)O)C1 SC-21516 [0,1,0,1,0,0|0,0,2]=4 355 B9R1.112 C[C@H](NC1CC1)C(=O)O SC-11115 [0,1,0,1,0,0|1,0,1]=4 356 B9R1.112 C[C@H](NC1CC1)C(=O)O SC-11116 [0,1,0,1,0,0|1,0,1]=4 357 B9R1.112 NC(CC1CC1)C(=O)O SC-60891 [0,1,0,1,0,0|0,0,2]=4 358 B9R1.112 NC(CC1CC1)C(=O)O SC-A4366 [0,1,0,1,0,0|0,0,2]=4 359 B9R1.112 N[C@@H](CC1CC1)C(=O)O SC-20866 [0,1,0,1,0,0|0,0,2]=4 360 B9R1.137 NC(CC(=O)O)C1CC1 SC-89968 [0,1,0,1,0,0|0,0,2]=4 361 B5R0.5 C=C(C)C(N)=O SC-74591 [0,0,0,0,2,0|1,0,1]=4 362 B5R0.5 C=C(F)C(=O)O SC-47473 [0,0,0,0,2,0|1,0,1]=4 363 B5R0.5 CC(=O)C(=O)[O-] SC-26010 [0,0,0,0,2,0|1,0,1]=4 364 B5R0.5 CC(=O)N(C)C SC-54108 [0,0,0,0,2,0|2,0,0]=4 365 B5R0.5 CC(C)=C(C)C SC-26845 [0,0,0,0,2,0|2,0,0]=4 366 B5R0.5 CC(F)C(=O)O SC-83429 [0,0,0,0,2,0|1,0,1]=4 367 B5R0.5 CC(N)C(=O)O SC-09271 [0,0,0,0,2,0|1,0,1]=4 368 B5R0.5 CC(O)C(=O)O SC-20005 [0,0,0,0,2,0|1,0,1]=4 369 B5R0.5 CN(C)C(=O)Cl SC-15201 [0,0,0,0,2,0|2,0,0]=4 370 B5R0.5 C[C@@H](Br)C(=O)O SC-08843 [0,0,0,0,2,0|1,0,1]=4 371 B5R0.5 C[C@@H](Cl)C(=O)O SC-06610 [0,0,0,0,2,0|1,0,1]=4 372 B5R0.5 C[C@H](Cl)C(=O)O SC-03218 [0,0,0,0,2,0|1,0,1]=4 373 B5R0.5 O=C(O)C(=O)O SC-52693 [0,0,0,0,2,0|2,0,0]=4 374 B5R0.5 O=C(O)C(=O)O SC-80488 [0,0,0,0,2,0|2,0,0]=4 375 B5R0.5 O=C(O)C(=O)O SC-88459 [0,0,0,0,2,0|2,0,0]=4 376 B5R0.5 O=C(O)C(=O)O SC-96241 [0,0,0,0,2,0|2,0,0]=4 377 B5R0.5 [2H]C(=O)N(C)C SC-97589 [0,0,0,0,2,0|2,0,0]=4 378 B9R0.55 CC(=O)NCCCC(=O)O SC-46117 [0,0,0,0,0,2|1,0,1]=4 379 B9R0.55 CC(C)CCCCC(=O)O SC-47475 [0,0,0,0,0,2|0,0,2]=4 380 B9R0.55 CN(C)CCNCC(=O)O SC-48750 [0,0,0,0,0,2|1,0,1]=4 381 B9R0.55 O=C(O)\C=C\CCC(=O)O SC-66378 [0,0,0,0,0,2|2,0,0]=4