0 B7R0.2 CCC(C)CC(=O)O SC-19132 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.2 CCC(N)CC(=O)O SC-59260 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.2 CCC(O)CC(C)=O SC-92943 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.2 COC(=O)CC(=O)Cl SC-16087 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.2 COC(=O)CC(=O)O SC-21351 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.2 NCC(O)CC(=O)O SC-50844 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.1 CC[C@@H](N)COC SC-65714 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.1 CC[C@H](N)COC SC-89974 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.1 COC(=O)CC=O SC-53143 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.1 OCCC(O)CO SC-15322 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.1 OCC[C@H](O)CO SC-08973 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.2 CC(=O)CC(C)=O SC-77723 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.2 CC(=O)NC(C)C SC-A3057 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.2 CC(=O)OC(C)C SC-25616 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.2 CC(C)=CC(=O)Cl SC-17934 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.2 CC(C)=CC(=O)O SC-16257 [1,0,0,0,0,0|0,0,2]=3 17 B6R0.2 CC(C)CB(O)O SC-06923 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.2 CC(Cl)OC(=O)Cl SC-13624 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.2 CN(C)CC(N)=O SC-89197 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [1,0,0,0,0,0|1,0,1]=3 25 B6R0.4 C=C(C)CNCC SC-47240 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.4 C=CCCC(=O)O SC-25836 [1,0,0,0,0,0|0,0,2]=3 27 B6R0.4 C=CNCC(=O)O SC-20808 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.4 CC(=O)CCCBr SC-91341 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.4 CC(=O)NCCN SC-19651 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.4 CCCCC(=O)Cl SC-46867 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.4 CC\C=C\C(=O)O SC-92876 [1,0,0,0,0,0|0,0,2]=3 32 B6R0.4 CNCCC(=O)O SC-27492 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.4 CNCCC(=O)O SC-52914 [1,0,0,0,0,0|1,0,0]=2 34 B6R0.4 COCCC(=O)O SC-50255 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.4 CSCCC(=O)O SC-96567 [1,0,0,0,0,0|1,0,0]=2 36 B6R0.4 NCCCC(=O)O SC-10045 [1,0,0,0,0,0|1,0,0]=2 37 B6R0.4 O=C(Cl)CCCBr SC-70369 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.4 O=C(O)C#CCO SC-89192 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.4 O=C(O)CCCCl SC-89723 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.4 O=C(O)\C=C\CBr SC-53654 [1,0,0,0,0,0|1,0,2]=4 41 B8R0.2 CCC(C)C(N)C(=O)O SC-09610 [0,1,0,0,0,0|0,0,0]=1 42 B8R0.2 CCC(C)C(N)C(N)=O SC-24873 [0,1,0,0,0,0|1,0,0]=2 43 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO SC-15195 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC SC-22105 [0,1,0,0,0,0|1,0,0]=2 45 B8R0.5 CCOC(=O)CC(=O)O SC-17786 [0,1,0,0,0,0|1,0,1]=3 46 B8R0.5 CCOC(=O)CC(=O)[O-] SC-26967 [0,1,0,0,0,0|1,0,2]=4 47 B8R0.16 COC(CC(C)=O)OC SC-15190 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.19 CCC(=O)CC(=O)OC SC-13642 [0,1,0,0,0,0|1,0,1]=3 49 B8R0.19 CN\C(C)=C/C(=O)OC SC-38289 [0,1,0,0,0,0|1,0,2]=4 50 B8R0.19 COC(=O)CC(=O)CCl SC-22714 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.19 COC(=O)CC(=O)OC SC-25683 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.19 COC(=O)C[C@@H](O)CCl SC-08919 [0,1,0,0,0,0|2,0,0]=3 53 B8R0.23 CC(=O)C(C)CC(=O)O SC-21504 [0,1,0,0,0,0|0,0,1]=2 54 B8R0.23 CC(=O)CC(O)[C@H](C)N SC-76554 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.23 CC(CC(=O)O)C(=O)O SC-51763 [0,1,0,0,0,0|1,0,1]=3 56 B8R0.23 CN(CC(=O)O)C(=N)N SC-46384 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SC-08886 [0,1,0,0,0,0|1,0,1]=3 58 B8R0.23 C[C@H](CC(=O)O)C(=O)O SC-08885 [0,1,0,0,0,0|1,0,1]=3 59 B8R0.23 N[C@H](CC(=O)O)C(=O)O SC-01867 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.23 O=C(O)C[C@@H](O)C(=O)O SC-05990 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.24 CCC(C)CS(N)(=O)=O SC-91047 [0,1,0,0,0,0|1,0,1]=3 62 B8R1.1 C=CC1COC(=O)O1 SC-15987 [0,0,0,1,0,0|1,0,2]=4 63 B8R1.1 NCC1CCC(=O)N1 SC-53656 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.1 NC[C@@H]1CCC(=O)N1 SC-44056 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.1 O=C1CC(CO)CN1 SC-66045 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.1 O=C1CC[C@@H](CO)N1 SC-09020 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.1 O=C1CC[C@@H](CO)O1 SC-03496 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.1 O=C1CC[C@H](CO)N1 SC-19648 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.1 O=C1N[C@@H](CO)CO1 SC-33166 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.1 [C@H]1(CBr)CCC(=O)N1 SC-23592 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.4 CC1CC(=O)CCN1 SC-14913 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.4 CC1CC(=O)CCN1 SC-26346 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.4 CC1CC(=O)CCO1 SC-43658 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.4 CC1CC(O)CCO1 SC-15639 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.4 CC1CCCC(=O)N1 SC-90092 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.4 CC1CCNC(=O)C1 SC-65553 [0,0,0,1,0,0|1,0,0]=2 77 B8R1.4 CC1CCNC(C)C1 SC-05916 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.4 CC1CNCC(=O)N1 SC-68745 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.4 CN1CCCC(=O)C1 SC-88063 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.4 CN1CCNC(=O)C1 SC-43594 [0,0,0,1,0,0|2,0,0]=3 81 B8R1.4 C[C@H]1COCC(=O)N1 SC-82343 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.4 NC1CCCC(O)C1 SC-19361 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 SC-43595 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 SC-47974 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.4 N[C@@H]1CCC[C@H](O)C1 SC-43598 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.4 N[C@H]1CCC[C@@H](O)C1 SC-12531 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.4 N[C@H]1CCC[C@@H](O)C1 SC-43597 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.4 O=C1CC(O)CCN1 SC-14921 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.4 O=C1CC(O)CCN1 SC-26449 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.4 O=C1CCCC(=O)C1 SC-16085 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.4 O=C1CCCC(O)C1 SC-52929 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.18 CC1=CC(=O)OC1O SC-47793 [0,0,0,1,0,0|1,0,2]=4 93 B8R1.18 CC1CC(=O)OC1=O SC-97577 [0,0,0,1,0,0|1,0,1]=3 94 B8R1.18 CC1NC(=O)OC1=O SC-19848 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.18 CC1NC(=O)OC1=O SC-48689 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.18 CC1OC(=O)OC1C SC-21491 [0,0,0,1,0,0|1,0,0]=2 97 B8R1.34 O=C(O)CC1CCC1 SC-26391 [0,0,0,1,0,0|0,0,0]=1 98 B8R1.34 O=C(O)CC1COC1 SC-70807 [0,0,0,1,0,0|1,0,0]=2 99 B8R1.34 O=C(O)CN1CCC1 SC-A4384 [0,0,0,1,0,0|1,0,0]=2 100 B8R1.42 CC(=O)OC1(C)CC1 SC-91864 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.51 CC1CCS(=O)(=O)O1 SC-21616 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.51 NC1CCS(=O)(=O)C1 SC-43760 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.53 CC1(O)CC(CN)C1 SC-18271 [0,0,0,1,0,0|2,0,1]=4 104 B6R0.3 C=CC(C)C(=O)O SC-65769 [0,0,0,0,1,0|0,0,2]=3 105 B6R0.3 C=C[C@H](N)C(=O)O SC-99216 [0,0,0,0,1,0|1,0,2]=4 106 B6R0.3 CC(C#N)C(=O)O SC-65741 [0,0,0,0,1,0|1,0,1]=3 107 B6R0.3 CC(CBr)C(=O)O SC-53016 [0,0,0,0,1,0|1,0,0]=2 108 B6R0.3 CC(CN)C(=O)O SC-10095 [0,0,0,0,1,0|1,0,0]=2 109 B6R0.3 CC(CN)C(=O)O SC-16443 [0,0,0,0,1,0|1,0,0]=2 110 B6R0.3 CCC(F)C(=O)O SC-82839 [0,0,0,0,1,0|1,0,0]=2 111 B6R0.3 CCC(N)C(=O)O SC-25570 [0,0,0,0,1,0|1,0,0]=2 112 B6R0.3 CCC(N)C(N)=O SC-67619 [0,0,0,0,1,0|2,0,0]=3 113 B6R0.3 CCC(S)C(=O)O SC-90417 [0,0,0,0,1,0|1,0,0]=2 114 B6R0.3 CCN(O)C(C)=O SC-69302 [0,0,0,0,1,0|3,0,0]=4 115 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [0,0,0,0,1,0|0,0,0]=1 116 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [0,0,0,0,1,0|1,0,0]=2 117 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [0,0,0,0,1,0|1,0,0]=2 118 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [0,0,0,0,1,0|1,0,0]=2 119 B6R0.3 CC[C@H](N)C(N)=O SC-15825 [0,0,0,0,1,0|2,0,0]=3 120 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [0,0,0,0,1,0|1,0,0]=2 121 B6R0.3 COC(C)C(=O)O SC-49776 [0,0,0,0,1,0|1,0,0]=2 122 B6R0.3 CON(C)C(C)=O SC-20924 [0,0,0,0,1,0|3,0,0]=4 123 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [0,0,0,0,1,0|1,0,0]=2 124 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [0,0,0,0,1,0|1,0,0]=2 125 B6R0.3 C[C@@H](CN)C(=O)O SC-69436 [0,0,0,0,1,0|1,0,0]=2 126 B6R0.3 C[C@H](CN)C(=O)O SC-90232 [0,0,0,0,1,0|1,0,0]=2 127 B6R0.3 C[C@H](CN)C(=O)O SC-A1203 [0,0,0,0,1,0|1,0,0]=2 128 B6R0.3 NC(=O)[C@@H](N)CO SC-09855 [0,0,0,0,1,0|3,0,0]=4 129 B6R0.3 NC(CO)C(=O)O SC-09828 [0,0,0,0,1,0|2,0,0]=3 130 B6R0.3 NC(CS)C(=O)O SC-16429 [0,0,0,0,1,0|2,0,0]=3 131 B6R0.3 NCC(N)C(=O)O SC-12518 [0,0,0,0,1,0|2,0,0]=3 132 B6R0.3 NCC(N)C(=O)O SC-26817 [0,0,0,0,1,0|2,0,0]=3 133 B6R0.3 NCC(O)C(=O)O SC-10335 [0,0,0,0,1,0|2,0,0]=3 134 B6R0.3 NC[C@@H](N)C(=O)O SC-10203 [0,0,0,0,1,0|2,0,0]=3 135 B6R0.3 N[C@@H](CO)C(=O)O SC-09827 [0,0,0,0,1,0|2,0,0]=3 136 B6R0.3 N[C@@H](CS)C(=O)O SC-45550 [0,0,0,0,1,0|2,0,0]=3 137 B6R0.3 N[C@H](CO)C(=O)O SC-09826 [0,0,0,0,1,0|2,0,0]=3 138 B6R0.3 O=C(Cl)C(Br)CBr SC-76209 [0,0,0,0,1,0|3,0,0]=4 139 B6R0.3 O=C(O)C(=O)CBr SC-15238 [0,0,0,0,1,0|2,0,1]=4 140 B6R0.3 O=C(O)C(Br)CBr SC-26969 [0,0,0,0,1,0|2,0,0]=3 141 B6R0.3 O=C(O)C(O)CCl SC-83865 [0,0,0,0,1,0|2,0,0]=3 142 B6R0.3 [C@@H](N)(CC)C(N)=O SC-49088 [0,0,0,0,1,0|2,0,0]=3 143 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09427 [0,0,0,0,1,0|2,0,0]=3 144 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09430 [0,0,0,0,1,0|2,0,0]=3 145 B6R0.3 [C@H](N)(CS)C(=O)O SC-09426 [0,0,0,0,1,0|2,0,0]=3 146 B8R0.9 C=CC(N)CCC(=O)O SC-82297 [0,0,0,0,0,1|1,0,2]=4 147 B8R0.9 CCC(=O)CCC(=O)O SC-58454 [0,0,0,0,0,1|1,0,1]=3 148 B8R0.9 COC(=O)NCC(=O)O SC-01599 [0,0,0,0,0,1|2,0,1]=4 149 B8R0.9 NCC(=O)CCC(=O)O SC-15622 [0,0,0,0,0,1|2,0,1]=4 150 B8R0.9 NCC(=O)CCC(=O)O SC-18502 [0,0,0,0,0,1|2,0,1]=4 151 B5R0.1 C#CCC(=O)O SC-40344 [2,0,0,0,0,0|0,0,2]=4 152 B5R0.1 C=CCC(=O)O SC-49093 [2,0,0,0,0,0|0,0,2]=4 153 B5R0.1 CC#CC(=O)O SC-76460 [2,0,0,0,0,0|0,0,2]=4 154 B5R0.1 CC(=O)CCCl SC-21586 [2,0,0,0,0,0|2,0,0]=4 155 B5R0.1 CC(=O)CCO SC-65678 [2,0,0,0,0,0|2,0,0]=4 156 B5R0.1 CC(C)=CC=O SC-00290 [2,0,0,0,0,0|0,0,2]=4 157 B5R0.1 CC(N)CCO SC-82589 [2,0,0,0,0,0|1,0,1]=4 158 B5R0.1 CCCB(O)O SC-47544 [2,0,0,0,0,0|1,0,1]=4 159 B5R0.1 CCCC(=N)N SC-19347 [2,0,0,0,0,0|2,0,0]=4 160 B5R0.1 CCCC(=O)Cl SC-18924 [2,0,0,0,0,0|1,0,0]=3 161 B5R0.1 CCCC(=O)[O-] SC-15718 [2,0,0,0,0,0|0,0,1]=3 162 B5R0.1 CCCC(C)O SC-03320 [2,0,0,0,0,0|1,0,1]=4 163 B5R0.1 CCCC(N)=O SC-46377 [2,0,0,0,0,0|1,0,0]=3 164 B5R0.1 CCOC(N)=O SC-16133 [2,0,0,0,0,0|2,0,0]=4 165 B5R0.1 CN(C)CC=O SC-51643 [2,0,0,0,0,0|1,0,0]=3 166 B5R0.1 CN(C)CCO SC-87330 [2,0,0,0,0,0|1,0,1]=4 167 B5R0.1 CNCC(=O)O SC-10425 [2,0,0,0,0,0|1,0,0]=3 168 B5R0.1 CNCC(N)=O SC-10429 [2,0,0,0,0,0|2,0,0]=4 169 B5R0.1 COCC(=O)Cl SC-27381 [2,0,0,0,0,0|2,0,0]=4 170 B5R0.1 C[C@@H](N)CCO SC-48293 [2,0,0,0,0,0|1,0,1]=4 171 B5R0.1 C[C@@H](O)CCO SC-05919 [2,0,0,0,0,0|1,0,1]=4 172 B5R0.1 C[C@H](O)CCO SC-02840 [2,0,0,0,0,0|1,0,1]=4 173 B5R0.1 C\C=C/C(=O)O SC-25924 [2,0,0,0,0,0|0,0,2]=4 174 B5R0.1 N#CCC(=O)O SC-18648 [2,0,0,0,0,0|1,0,1]=4 175 B5R0.1 NCCC(=O)O SC-10014 [2,0,0,0,0,0|1,0,0]=3 176 B5R0.1 NCCC(N)=O SC-48688 [2,0,0,0,0,0|2,0,0]=4 177 B5R0.1 NCCC(N)=O SC-84499 [2,0,0,0,0,0|2,0,0]=4 178 B5R0.1 O=C(Cl)CCCl SC-16310 [2,0,0,0,0,0|2,0,0]=4 179 B5R0.1 O=C(O)CCBr SC-18441 [2,0,0,0,0,0|1,0,0]=3 180 B5R0.1 O=C(O)CCS SC-22642 [2,0,0,0,0,0|1,0,0]=3 181 B5R0.2 C=CCCCBr SC-47340 [2,0,0,0,0,0|2,0,0]=4 182 B5R0.2 C=CCCCN SC-28944 [2,0,0,0,0,0|2,0,0]=4 183 B5R0.2 C=CCCCO SC-78424 [2,0,0,0,0,0|2,0,0]=4 184 B5R0.2 CC#CCC=O SC-89818 [2,0,0,0,0,0|0,0,2]=4 185 B5R0.2 CCCCNN SC-68008 [2,0,0,0,0,0|2,0,0]=4 186 B5R0.2 CNCCCO SC-94106 [2,0,0,0,0,0|1,0,1]=4 187 B5R0.2 COCCC=O SC-85357 [2,0,0,0,0,0|1,0,0]=3 188 B5R0.2 NCCCCO SC-48186 [2,0,0,0,0,0|1,0,1]=4 189 B5R0.2 O=CCCC=O SC-13455 [2,0,0,0,0,0|1,0,1]=4 190 B5R0.2 O=CCCCBr SC-69595 [2,0,0,0,0,0|1,0,0]=3 191 B5R0.2 OCCCCBr SC-12645 [2,0,0,0,0,0|1,0,1]=4 192 B5R0.2 OCCCCCl SC-23109 [2,0,0,0,0,0|1,0,1]=4 193 B5R0.3 C=CC(O)CC SC-93539 [2,0,0,0,0,0|1,0,1]=4 194 B5R0.3 CC(CO)CBr SC-35572 [2,0,0,0,0,0|1,0,0]=3 195 B5R0.3 CCC(C)CO SC-08990 [2,0,0,0,0,0|0,0,0]=2 196 B5R0.3 CCC(N)CC SC-81736 [2,0,0,0,0,0|1,0,1]=4 197 B5R0.3 CCC(N)CO SC-21072 [2,0,0,0,0,0|1,0,0]=3 198 B5R0.3 CCC(O)CC SC-62307 [2,0,0,0,0,0|1,0,1]=4 199 B5R0.3 COC(C)CN SC-A4864 [2,0,0,0,0,0|2,0,0]=4 200 B5R0.3 CO[C@H](C)CO SC-71357 [2,0,0,0,0,0|1,0,0]=3 201 B5R0.3 NC(CO)CO SC-16669 [2,0,0,0,0,0|2,0,0]=4 202 B5R0.3 NCC(O)CO SC-15511 [2,0,0,0,0,0|2,0,0]=4 203 B5R0.3 NC[C@@H](O)CO SC-06146 [2,0,0,0,0,0|2,0,0]=4 204 B5R0.3 O=CC(O)CO SC-04830 [2,0,0,0,0,0|2,0,0]=4 205 B5R0.3 OCC(Br)CBr SC-75335 [2,0,0,0,0,0|2,0,0]=4 206 B5R0.3 OCC(O)CO SC-13789 [2,0,0,0,0,0|2,0,0]=4 207 B5R0.3 OC[C@@H](O)CCl SC-05423 [2,0,0,0,0,0|2,0,0]=4 208 B5R0.3 [C@H](N)(CC)CO SC-08958 [2,0,0,0,0,0|1,0,0]=3 209 B5R0.3 [C@H](O)(CN)CO SC-05739 [2,0,0,0,0,0|2,0,0]=4 210 B7R0.7 CC(CCO)CCO SC-15062 [1,1,0,0,0,0|0,0,1]=3 211 B7R0.7 CCC[C@H](N)CCO SC-A3499 [1,1,0,0,0,0|1,0,1]=4 212 B7R0.7 CCOC(=O)CC=O SC-14726 [1,1,0,0,0,0|1,0,1]=4 213 B7R0.7 CN(CCO)CCO SC-56199 [1,1,0,0,0,0|1,0,1]=4 214 B7R0.10 CC(CN)[C@H](N)CO SC-54106 [1,1,0,0,0,0|1,0,1]=4 215 B7R0.10 CC[C@H](C)[C@H](N)CO SC-08984 [1,1,0,0,0,0|0,0,1]=3 216 B7R0.9 CC(=O)CC(C)(C)S SC-82919 [1,1,0,0,0,0|1,0,0]=3 217 B7R0.9 CC(=O)OC(C)(C)C SC-22684 [1,1,0,0,0,0|2,0,0]=4 218 B7R0.9 CC(C)(C)OC(N)=O SC-44399 [1,1,0,0,0,0|2,0,0]=4 219 B7R0.9 CC(C)(N)CC(=O)O SC-43668 [1,1,0,0,0,0|0,0,0]=2 220 B7R0.9 CC(C)(O)CC(=O)[O-] SC-17999 [1,1,0,0,0,0|0,0,1]=3 221 B7R0.9 CC(C)CS(=O)(=O)Cl SC-51212 [1,1,0,0,0,0|1,0,1]=4 222 B7R0.9 CS(=O)(=O)CC(=O)O SC-23267 [1,1,0,0,0,0|2,0,0]=4 223 B7R0.9 C[N+](C)(C)CC(=O)[O-] SC-11650 [1,1,0,0,0,0|1,0,1]=4 224 B7R0.9 O=C(O)CC(F)(F)F SC-19589 [1,1,0,0,0,0|2,0,0]=4 225 B7R0.16 CC(C)C(=O)C(=O)O SC-27422 [1,1,0,0,0,0|0,0,1]=3 226 B7R0.16 CC(C)C(=O)C(=O)[O-] SC-13686 [1,1,0,0,0,0|0,0,2]=4 227 B7R0.16 CC(C)C(Br)C(=O)O SC-26681 [1,1,0,0,0,0|0,0,0]=2 228 B7R0.16 CC(C)C(N)C(=O)O SC-09983 [1,1,0,0,0,0|0,0,0]=2 229 B7R0.16 CC(C)C(N)C(=O)O SC-09984 [1,1,0,0,0,0|0,0,0]=2 230 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [1,1,0,0,0,0|0,0,0]=2 231 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [1,1,0,0,0,0|0,0,0]=2 232 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [1,1,0,0,0,0|0,0,0]=2 233 B7R0.16 CC(C)[C@H](N)C(N)=O SC-19666 [1,1,0,0,0,0|1,0,0]=3 234 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [1,1,0,0,0,0|1,0,0]=3 235 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [1,1,0,0,0,0|1,0,0]=3 236 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [1,1,0,0,0,0|1,0,0]=3 237 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [1,1,0,0,0,0|1,0,0]=3 238 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [1,1,0,0,0,0|1,0,0]=3 239 B7R0.4 C#CCCCC(=O)O SC-73017 [1,1,0,0,0,0|0,0,1]=3 240 B7R0.4 C#CCNCC(=O)O SC-10418 [1,1,0,0,0,0|0,0,2]=4 241 B7R0.4 C#CCNCC(=O)O SC-10419 [1,1,0,0,0,0|0,0,2]=4 242 B7R0.4 C#CCNCC(=O)O SC-65650 [1,1,0,0,0,0|0,0,2]=4 243 B7R0.4 C=CCNCC(=O)O SC-74362 [1,1,0,0,0,0|0,0,2]=4 244 B7R0.4 C=CCOCC(=O)O SC-49027 [1,1,0,0,0,0|0,0,2]=4 245 B7R0.4 CCCC#CC(=O)O SC-96568 [1,1,0,0,0,0|0,0,1]=3 246 B7R0.4 CCCNCC(=O)O SC-97541 [1,1,0,0,0,0|0,0,0]=2 247 B7R0.4 CCCSCC(=O)O SC-45283 [1,1,0,0,0,0|0,0,0]=2 248 B7R0.4 CCC\C=C\C(C)=O SC-49007 [1,1,0,0,0,0|1,0,1]=4 249 B7R0.4 CCO\C=C\C(=O)O SC-89061 [1,1,0,0,0,0|0,0,2]=4 250 B7R0.4 CNCCCC(=O)O SC-49793 [1,1,0,0,0,0|0,0,0]=2 251 B7R0.4 CNCCCC(=O)O SC-A2900 [1,1,0,0,0,0|0,0,0]=2 252 B7R0.4 COCCCC(=O)O SC-51378 [1,1,0,0,0,0|0,0,0]=2 253 B7R0.4 COCCNC(N)=O SC-62189 [1,1,0,0,0,0|2,0,0]=4 254 B7R0.4 C\C=C\CCC(=O)O SC-21245 [1,1,0,0,0,0|0,0,1]=3 255 B7R0.4 NC(=O)CCCCBr SC-98143 [1,1,0,0,0,0|1,0,0]=3 256 B7R0.4 NCCCCC(=O)O SC-10120 [1,1,0,0,0,0|0,0,0]=2 257 B7R0.4 NCCCCC(=O)O SC-92391 [1,1,0,0,0,0|0,0,0]=2 258 B7R0.4 NCCCCC(N)=O SC-94858 [1,1,0,0,0,0|1,0,0]=3 259 B7R0.4 NCCCCC(N)=O SC-A4262 [1,1,0,0,0,0|1,0,0]=3 260 B7R0.4 NCCNCC(=O)O SC-21750 [1,1,0,0,0,0|1,0,0]=3 261 B7R0.4 O=C(Cl)CCCCBr SC-13447 [1,1,0,0,0,0|1,0,0]=3 262 B7R0.4 O=C(Cl)CCCCCl SC-16009 [1,1,0,0,0,0|1,0,0]=3 263 B7R0.4 O=C(O)CCCCBr SC-02338 [1,1,0,0,0,0|0,0,0]=2 264 B7R0.4 O=C([O-])COCCO SC-A2671 [1,1,0,0,0,0|1,0,1]=4 265 B7R0.6 CC(=O)OCC(C)C SC-25600 [1,1,0,0,0,0|2,0,0]=4 266 B7R0.6 CC(C)CCC(=O)O SC-57917 [1,1,0,0,0,0|0,0,0]=2 267 B7R0.6 CC(C)CC[N+](=O)[O-] SC-93989 [1,1,0,0,0,0|1,0,1]=4 268 B7R0.6 CC(C)OCC(=O)O SC-88240 [1,1,0,0,0,0|1,0,0]=3 269 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [1,1,0,0,0,0|1,0,0]=3 270 B7R0.6 CC(O)CCC(C)O SC-92842 [1,1,0,0,0,0|1,0,1]=4 271 B7R0.6 CN(C)CCC(=O)O SC-84721 [1,1,0,0,0,0|1,0,0]=3 272 B7R0.6 CN(C)CCC(=O)O SC-98010 [1,1,0,0,0,0|1,0,0]=3 273 B7R0.6 CN(C)CCC(N)=O SC-89196 [1,1,0,0,0,0|2,0,0]=4 274 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [1,1,0,0,0,0|1,0,0]=3 275 B7R0.6 C[C@H](O)CC[C@H](C)O SC-03635 [1,1,0,0,0,0|1,0,1]=4 276 B7R0.6 O=C(O)CCC(=O)O SC-47173 [1,1,0,0,0,0|1,0,1]=4 277 B7R0.8 CNCCS(=O)(=O)O SC-99470 [1,1,0,0,0,0|2,0,0]=4 278 B7R0.8 NCCCS(=O)(=O)O SC-17979 [1,1,0,0,0,0|2,0,0]=4 279 B7R0.13 C#CC(C)(C)C(=O)O SC-12019 [0,1,0,0,1,0|0,0,2]=4 280 B7R0.13 C=CC(C)(C)C(=O)O SC-72463 [0,1,0,0,1,0|0,0,2]=4 281 B7R0.13 CC(C)(C#N)C(=O)O SC-65742 [0,1,0,0,1,0|1,0,1]=4 282 B7R0.13 CC(C)(CF)C(=O)O SC-91781 [0,1,0,0,1,0|1,0,0]=3 283 B7R0.13 CCC(F)(F)C(=O)O SC-06365 [0,1,0,0,1,0|1,0,0]=3 284 B7R0.13 CC[C@](C)(N)C(=O)O SC-85117 [0,1,0,0,1,0|0,0,0]=2 285 B7R0.13 COC(C)(C)C(=O)O SC-49777 [0,1,0,0,1,0|1,0,0]=3 286 B7R0.13 C[C@@](N)(CS)C(=O)O SC-48129 [0,1,0,0,1,0|1,0,0]=3 287 B7R0.15 CCN(CC)C(=O)Cl SC-74686 [0,1,0,0,1,0|2,0,0]=4 288 B7R0.15 CNC(CO)C(=O)O SC-26706 [0,1,0,0,1,0|1,0,0]=3 289 B7R0.15 COC(OC)C(C)=O SC-05972 [0,1,0,0,1,0|2,0,0]=4 290 B7R0.15 O=C(O)C(CBr)CBr SC-16780 [0,1,0,0,1,0|1,0,0]=3 291 B7R0.15 O=C(O)C(CF)CF SC-41163 [0,1,0,0,1,0|1,0,0]=3 292 B7R0.15 [C@@H](CO)(NC)C(=O)O SC-20914 [0,1,0,0,1,0|1,0,0]=3 293 B9R0.7 CC(=O)N(C)CCC(=O)O SC-21566 [0,1,0,0,0,1|1,0,1]=4 294 B9R0.7 CC(Cl)C(=O)NCC(=O)O SC-73815 [0,1,0,0,0,1|1,0,1]=4 295 B9R0.7 CC(S)C(=O)NCC(=O)O SC-26620 [0,1,0,0,0,1|1,0,1]=4 296 B9R0.48 CCOC(=O)CCC(=O)O SC-48671 [0,1,0,0,0,1|1,0,1]=4 297 B9R0.27 CCC(=O)C(C)C(=O)OC SC-43692 [0,2,0,0,0,0|1,0,1]=4 298 B9R0.41 CCC(CC)C(N)C(=O)O SC-59524 [0,2,0,0,0,0|0,0,0]=2 299 B9R0.79 CC(C)C(O)C(N)C(=O)O SC-48909 [0,2,0,0,0,0|1,0,0]=3 300 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O SC-A0972 [0,2,0,0,0,0|0,0,0]=2 301 B9R0.34 CCOC(=O)CC(=O)CC SC-20988 [0,2,0,0,0,0|1,0,1]=4 302 B9R0.34 CCOC(=O)C[C@H](O)CCl SC-07048 [0,2,0,0,0,0|2,0,0]=4 303 B9R0.53 CC(C)C[C@H](N)CC(=O)O SC-26176 [0,2,0,0,0,0|1,0,0]=3 304 B9R0.53 CC(CC(=O)O)CC(=O)O SC-15126 [0,2,0,0,0,0|0,0,1]=3 305 B9R0.53 CN(CC(=O)O)CC(=O)O SC-04506 [0,2,0,0,0,0|1,0,1]=4 306 B9R0.26 COC(=O)CC(OC)OC SC-20608 [0,2,0,0,0,0|1,0,0]=3 307 B9R0.26 COC(CC(=O)NN)OC SC-89993 [0,2,0,0,0,0|2,0,0]=4 308 B9R0.22 COC(=O)CC(C)(C)CO SC-13986 [0,2,0,0,0,0|1,0,0]=3 309 B9R0.11 CC(C)(CC(=O)O)C(=O)O SC-26972 [0,2,0,0,0,0|1,0,1]=4 310 B7R1.1 CNC1CCOC1 SC-81912 [1,0,0,1,0,0|1,0,1]=4 311 B7R1.1 CN[C@@H]1CCOC1 SC-A2281 [1,0,0,1,0,0|1,0,1]=4 312 B7R1.1 ICC1CCOC1 SC-26534 [1,0,0,1,0,0|1,0,1]=4 313 B7R1.1 NCC1CCOC1 SC-12415 [1,0,0,1,0,0|1,0,1]=4 314 B7R1.1 OCC1CC=CC1 SC-45771 [1,0,0,1,0,0|2,0,0]=4 315 B7R1.1 OCC1CCOC1 SC-21250 [1,0,0,1,0,0|1,0,1]=4 316 B7R1.2 CC1=CC(=O)CC1 SC-18727 [1,0,0,1,0,0|0,0,2]=4 317 B7R1.2 CC1CCC(=O)C1 SC-93748 [1,0,0,1,0,0|0,0,0]=2 318 B7R1.2 CC1CNC(=O)C1 SC-50248 [1,0,0,1,0,0|1,0,0]=3 319 B7R1.2 CC1COC(=O)C1 SC-60836 [1,0,0,1,0,0|1,0,0]=3 320 B7R1.2 CC1COC(=O)O1 SC-65189 [1,0,0,1,0,0|2,0,0]=4 321 B7R1.2 CN1CC[C@@H](O)C1 SC-49684 [1,0,0,1,0,0|1,0,1]=4 322 B7R1.2 CN1CC[C@H](O)C1 SC-23905 [1,0,0,1,0,0|1,0,1]=4 323 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [1,0,0,1,0,0|2,0,0]=4 325 B7R1.2 NC1CCC(O)C1 SC-47773 [1,0,0,1,0,0|1,0,1]=4 326 B7R1.2 NC1CCC(O)C1 SC-47979 [1,0,0,1,0,0|1,0,1]=4 327 B7R1.2 NC1CCC(O)C1 SC-49660 [1,0,0,1,0,0|1,0,1]=4 328 B7R1.2 NC1CCC(O)C1 SC-51126 [1,0,0,1,0,0|1,0,1]=4 329 B7R1.2 NC1CCC(O)C1 SC-92977 [1,0,0,1,0,0|1,0,1]=4 330 B7R1.2 NC1CNC(=O)C1 SC-66063 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.2 NC1COC(=O)C1 SC-34183 [1,0,0,1,0,0|2,0,0]=4 332 B7R1.2 N[C@@H]1CC[C@H](O)C1 SC-83316 [1,0,0,1,0,0|1,0,1]=4 333 B7R1.2 N[C@@H]1CNC(=O)C1 SC-A4379 [1,0,0,1,0,0|2,0,0]=4 334 B7R1.2 N[C@@H]1COC(=O)C1 SC-71558 [1,0,0,1,0,0|2,0,0]=4 335 B7R1.2 N[C@H]1CC[C@@H](O)C1 SC-42369 [1,0,0,1,0,0|1,0,1]=4 336 B7R1.2 N[C@H]1CC[C@@H](O)C1 SC-47775 [1,0,0,1,0,0|1,0,1]=4 337 B7R1.2 N[C@H]1CC[C@H](O)C1 SC-47774 [1,0,0,1,0,0|1,0,1]=4 338 B7R1.2 N[C@H]1CC[C@H](O)C1 SC-93243 [1,0,0,1,0,0|1,0,1]=4 339 B7R1.2 O=C1CC(O)CN1 SC-29049 [1,0,0,1,0,0|2,0,0]=4 340 B7R1.2 O=C1CCC(=O)C1 SC-15331 [1,0,0,1,0,0|1,0,1]=4 341 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [1,0,0,1,0,0|2,0,0]=4 342 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [1,0,0,1,0,0|2,0,0]=4 343 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [1,0,0,1,0,0|2,0,0]=4 344 B7R1.3 BrC1CCOCC1 SC-27394 [1,0,0,1,0,0|1,0,1]=4 345 B7R1.3 CC1CCCCC1 SC-79075 [1,0,0,1,0,0|1,0,1]=4 346 B7R1.3 CC1CCCNC1 SC-46299 [1,0,0,1,0,0|2,0,0]=4 347 B7R1.3 CC1CCNCC1 SC-05890 [1,0,0,1,0,0|1,0,1]=4 348 B7R1.3 C[C@H]1CCCNC1 SC-99949 [1,0,0,1,0,0|2,0,0]=4 349 B7R1.3 IC1CCOCC1 SC-98886 [1,0,0,1,0,0|1,0,1]=4 350 B7R1.3 NC1CCOCC1 SC-03529 [1,0,0,1,0,0|1,0,1]=4 351 B7R1.3 NC1CCOCC1 SC-04006 [1,0,0,1,0,0|1,0,1]=4 352 B7R1.3 OC1CC=CCC1 SC-87372 [1,0,0,1,0,0|2,0,0]=4 353 B7R1.3 OC1CCOCC1 SC-02372 [1,0,0,1,0,0|1,0,1]=4 354 B7R1.3 SC1CCOCC1 SC-47759 [1,0,0,1,0,0|1,0,1]=4 355 B7R1.6 NCCC1CCC1 SC-B8576 [1,0,0,1,0,0|1,0,1]=4 356 B7R1.6 NNCC1CCC1 SC-12830 [1,0,0,1,0,0|2,0,0]=4 357 B7R1.6 OCCC1COC1 SC-53429 [1,0,0,1,0,0|1,0,1]=4 358 B7R1.10 COC1CC(O)C1 SC-A4338 [1,0,0,1,0,0|1,0,1]=4 359 B7R1.10 O=C1CC(CO)C1 SC-86648 [1,0,0,1,0,0|1,0,0]=3 360 B7R1.12 O=C(O)C1CC1F SC-85228 [1,0,0,1,0,0|1,0,0]=3 361 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [1,0,0,1,0,0|1,0,0]=3 362 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [1,0,0,1,0,0|1,0,0]=3 363 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [1,0,0,1,0,0|1,0,0]=3 364 B7R1.20 CC(=O)CC1CC1 SC-21396 [1,0,0,1,0,0|1,0,0]=3 365 B7R1.20 NC(=O)NC1CC1 SC-84633 [1,0,0,1,0,0|2,0,0]=4 366 B7R1.20 O=C(O)CC1CC1 SC-13938 [1,0,0,1,0,0|0,0,0]=2 367 B7R1.14 O=S1(=O)CCCC1 SC-46369 [1,0,0,1,0,0|1,0,1]=4 368 B7R1.18 CC(=O)C1CCC1 SC-74316 [1,0,0,1,0,0|1,0,0]=3 369 B7R1.18 CC(O)C1CCC1 SC-22088 [1,0,0,1,0,0|1,0,1]=4 370 B7R1.18 NC(=O)[C@H]1CCN1 SC-42709 [1,0,0,1,0,0|2,0,0]=4 371 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [1,0,0,1,0,0|1,0,0]=3 372 B7R1.18 O=C(O)C1CCC1 SC-17776 [1,0,0,1,0,0|0,0,0]=2 373 B7R1.18 O=C(O)C1CCO1 SC-22549 [1,0,0,1,0,0|1,0,0]=3 374 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [1,0,0,1,0,0|1,0,0]=3 375 B7R1.18 OB(O)C1CCC1 SC-21363 [1,0,0,1,0,0|1,0,1]=4 376 B7R1.19 CC(=O)C1(F)CC1 SC-83098 [0,0,0,1,1,0|2,0,0]=4 377 B7R1.19 CC1(C(=O)O)CC1 SC-21186 [0,0,0,1,1,0|0,0,0]=2 378 B7R1.19 CC1(C(=O)O)CO1 SC-A2140 [0,0,0,1,1,0|1,0,0]=3 379 B7R1.19 NC1(C(=O)O)CC1 SC-11059 [0,0,0,1,1,0|1,0,0]=3 380 B7R1.19 NC1(C(=O)O)CC1 SC-21274 [0,0,0,1,1,0|1,0,0]=3 381 B7R1.19 O=C(O)C1(F)CC1 SC-49577 [0,0,0,1,1,0|1,0,0]=3 382 B7R1.19 O=C(O)C1(O)CC1 SC-19780 [0,0,0,1,1,0|1,0,0]=3 383 B9R1.1 CNC1CCC(=O)CC1 SC-92932 [0,0,0,1,0,1|2,0,0]=4 384 B9R1.1 COC1CCC(=O)CC1 SC-51182 [0,0,0,1,0,1|2,0,0]=4 385 B9R1.1 NCC1CCC(=O)NC1 SC-A2876 [0,0,0,1,0,1|2,0,0]=4 386 B9R1.1 O=C1CCC(CO)CC1 SC-66212 [0,0,0,1,0,1|2,0,0]=4 387 B9R1.35 CC(=O)N1CCC(O)C1 SC-00079 [0,0,0,1,0,1|2,0,0]=4 388 B9R1.35 CN1CCC(C(=O)O)C1 SC-38317 [0,0,0,1,0,1|1,0,0]=3 389 B9R1.35 CN1CCC(C(=O)O)C1 SC-71513 [0,0,0,1,0,1|1,0,0]=3 390 B9R1.35 NC1CCC(C(=O)O)C1 SC-62151 [0,0,0,1,0,1|1,0,0]=3 391 B9R1.35 NC1COC(C(=O)O)C1 SC-97560 [0,0,0,1,0,1|2,0,0]=4 392 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-82495 [0,0,0,1,0,1|1,0,0]=3 393 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-93696 [0,0,0,1,0,1|1,0,0]=3 394 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-48064 [0,0,0,1,0,1|1,0,0]=3 395 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-93674 [0,0,0,1,0,1|1,0,0]=3 396 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-52614 [0,0,0,1,0,1|1,0,0]=3 397 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-69232 [0,0,0,1,0,1|1,0,0]=3 398 B9R1.35 O=C(O)C1CC(O)CN1 SC-03594 [0,0,0,1,0,1|2,0,0]=4 399 B9R1.35 O=C(O)C1CC(O)CN1 SC-09592 [0,0,0,1,0,1|2,0,0]=4 400 B9R1.35 O=C(O)C1CC(O)CN1 SC-09594 [0,0,0,1,0,1|2,0,0]=4 401 B9R1.35 O=C(O)C1CCC(O)C1 SC-48116 [0,0,0,1,0,1|1,0,0]=3 402 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SC-89720 [0,0,0,1,0,1|2,0,0]=4 403 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SC-09595 [0,0,0,1,0,1|2,0,0]=4 404 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SC-48740 [0,0,0,1,0,1|2,0,0]=4 405 B9R1.35 O=C1CCC(C(=O)O)C1 SC-28724 [0,0,0,1,0,1|1,0,1]=4 406 B9R1.35 O=C1CCC(C(=O)O)N1 SC-01249 [0,0,0,1,0,1|1,0,1]=4 407 B9R1.35 O=C1CCC(C(=O)O)O1 SC-93768 [0,0,0,1,0,1|1,0,1]=4 408 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SC-07520 [0,0,0,1,0,1|1,0,1]=4 409 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)O1 SC-47439 [0,0,0,1,0,1|1,0,1]=4 410 B9R1.35 [C@H]1(C(=O)O)CCC(=O)N1 SC-04305 [0,0,0,1,0,1|1,0,1]=4 411 B9R1.35 [C@H]1(C(=O)O)CCC(=O)O1 SC-08888 [0,0,0,1,0,1|1,0,1]=4 412 B9R1.49 CN1CCCC(=O)CC1 SC-01972 [0,0,0,1,0,1|2,0,0]=4 413 B9R1.69 CC1CC(=O)CCN1C SC-21165 [0,0,0,1,0,1|2,0,0]=4 414 B9R1.84 O=C(O)CCC1CCC1 SC-30968 [0,0,0,1,0,1|0,0,0]=2 415 B9R1.84 O=C(O)CNC1CCC1 SC-53570 [0,0,0,1,0,1|0,0,0]=2 416 B9R1.84 O=[N+]([O-])CCC1CCC1 SC-50111 [0,0,0,1,0,1|1,0,1]=4 417 B9R1.95 COC1CC(C(=O)O)C1 SC-21516 [0,0,0,1,0,1|1,0,0]=3 418 B9R1.41 CN1CCC[C@H]1C(=O)O SC-21471 [0,1,0,1,0,0|1,0,0]=3 419 B9R1.41 NC1CCCC1C(=O)O SC-A3650 [0,1,0,1,0,0|1,0,0]=3 420 B9R1.110 NC(C(=O)O)C1CCC1 SC-94779 [0,1,0,1,0,0|0,0,0]=2 421 B9R1.7 COCC1CNC(=O)C1 SC-48746 [0,1,0,1,0,0|1,0,0]=3 422 B9R1.13 O=C(O)CC1CCCN1 SC-49134 [0,1,0,1,0,0|0,0,0]=2 423 B9R1.13 O=C(O)CC1CCCN1 SC-70978 [0,1,0,1,0,0|0,0,0]=2 424 B9R1.13 O=C(O)CC1CCNC1 SC-53663 [0,1,0,1,0,0|0,0,0]=2 425 B9R1.13 O=C(O)CN1CCCC1 SC-69994 [0,1,0,1,0,0|1,0,0]=3 426 B9R1.13 O=C(O)C[C@@H]1CCCN1 SC-86132 [0,1,0,1,0,0|0,0,0]=2 427 B9R1.34 CC1CC(=O)CC(=O)C1 SC-26551 [0,1,0,1,0,0|1,0,1]=4 428 B9R1.34 CC1CC(=O)CC(C)N1 SC-49668 [0,1,0,1,0,0|1,0,0]=3 429 B9R1.34 CC1CC(=O)CC(C)O1 SC-43659 [0,1,0,1,0,0|1,0,0]=3 430 B9R1.34 CC1CC(=O)OC(=O)C1 SC-68133 [0,1,0,1,0,0|0,0,1]=3 431 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)N1 SC-88301 [0,1,0,1,0,0|1,0,0]=3 432 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 SC-88300 [0,1,0,1,0,0|1,0,0]=3 433 B9R1.66 CC1(C)CC(=O)CCO1 SC-22069 [0,1,0,1,0,0|2,0,0]=4 434 B9R1.66 CC1(C)CCCC(=O)C1 SC-67598 [0,1,0,1,0,0|1,0,0]=3 435 B9R1.137 NC(CC(=O)O)C1CC1 SC-89968 [0,1,0,1,0,0|1,0,0]=3 436 B9R1.2 CCC1CC(=O)CCN1 SC-35111 [0,1,0,1,0,0|1,0,0]=3 437 B9R1.2 O=C1CCCC(CO)N1 SC-21439 [0,1,0,1,0,0|2,0,0]=4 438 B9R1.114 O=S(=O)(Cl)CC1CCC1 SC-25132 [0,1,0,1,0,0|1,0,1]=4 439 B9R2.39 O=C1CC2CCC1C2 SC-50094 [0,0,0,2,0,0|1,0,0]=3 440 B9R2.39 [C@H]12CC[C@H](C1)C(=O)N2 SC-52249 [0,0,0,2,0,0|2,0,0]=4 441 B9R2.25 O=C1OC(=O)C2CC12 SC-26129 [0,0,0,2,0,0|1,0,1]=4 442 B9R2.109 O=C1CCCC2OC12 SC-A3025 [0,0,0,2,0,0|2,0,0]=4 443 B9R2.138 O=C1CC2(CCC2)C1 SC-B7366 [0,0,0,2,0,0|1,0,0]=3 444 B5R0.5 CC(=O)C(=O)O SC-17382 [1,0,0,0,1,0|1,0,1]=4 445 B5R0.5 CC(=O)C(C)C SC-18478 [1,0,0,0,1,0|1,0,0]=3 446 B5R0.5 CC(=O)C(C)Cl SC-46981 [1,0,0,0,1,0|2,0,0]=4 447 B5R0.5 CC(=O)C(C)S SC-17208 [1,0,0,0,1,0|2,0,0]=4 448 B5R0.5 CC(=O)N(C)C SC-54108 [1,0,0,0,1,0|2,0,0]=4 449 B5R0.5 CC(Br)C(N)=O SC-97497 [1,0,0,0,1,0|2,0,0]=4 450 B5R0.5 CC(C)B(O)O SC-66620 [1,0,0,0,1,0|1,0,1]=4 451 B5R0.5 CC(C)C(=N)N SC-13079 [1,0,0,0,1,0|2,0,0]=4 452 B5R0.5 CC(F)C(=O)O SC-83429 [1,0,0,0,1,0|1,0,0]=3 453 B5R0.5 CC(N)C(=O)O SC-09271 [1,0,0,0,1,0|1,0,0]=3 454 B5R0.5 CC(N)C(N)=O SC-94219 [1,0,0,0,1,0|2,0,0]=4 455 B5R0.5 CC(O)C(=O)[O-] SC-19308 [1,0,0,0,1,0|1,0,1]=4 456 B5R0.5 CC(O)C(=O)[O-] SC-25623 [1,0,0,0,1,0|1,0,1]=4 457 B5R0.5 CC(O)C(=O)[O-] SC-75139 [1,0,0,0,1,0|1,0,1]=4 458 B5R0.5 CC(S)C(=O)O SC-74563 [1,0,0,0,1,0|1,0,0]=3 459 B5R0.5 CN(C)C(=O)Cl SC-15201 [1,0,0,0,1,0|2,0,0]=4 460 B5R0.5 C[C@@H](Br)C(=O)O SC-08843 [1,0,0,0,1,0|1,0,0]=3 461 B5R0.5 C[C@@H](Cl)C(=O)O SC-06610 [1,0,0,0,1,0|1,0,0]=3 462 B5R0.5 C[C@@H](N)C(=O)O SC-09270 [1,0,0,0,1,0|1,0,0]=3 463 B5R0.5 C[C@@H](N)C(N)=O SC-09289 [1,0,0,0,1,0|2,0,0]=4 464 B5R0.5 C[C@@H](O)C(N)=O SC-92873 [1,0,0,0,1,0|2,0,0]=4 465 B5R0.5 C[C@H](Cl)C(=O)O SC-03218 [1,0,0,0,1,0|1,0,0]=3 466 B5R0.5 C[C@H](N)C(=O)O SC-09272 [1,0,0,0,1,0|1,0,0]=3 467 B5R0.5 C[C@H](N)C(N)=O SC-03542 [1,0,0,0,1,0|2,0,0]=4 468 B5R0.5 C[C@H](O)C(N)=O SC-73228 [1,0,0,0,1,0|2,0,0]=4 469 B5R0.5 O=C(O)C(Cl)Cl SC-18205 [1,0,0,0,1,0|2,0,0]=4 470 B5R0.5 O=C(O)C(F)Br SC-49620 [1,0,0,0,1,0|2,0,0]=4 471 B5R0.5 O=C(O)C(F)F SC-25529 [1,0,0,0,1,0|2,0,0]=4 472 B5R0.5 [2H]C(=O)N(C)C SC-97589 [1,0,0,0,1,0|2,0,0]=4 473 B5R0.5 [C@@H](C)(Br)C(=O)O SC-03475 [1,0,0,0,1,0|1,0,0]=3