0 B7R0.4 CC(C)CCON=O SC-22768 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.4 CNCCCN(C)C SC-95620 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.4 CC(C)NCCCl SC-96276 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.4 CC(C)OCCBr SC-50384 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.4 CN(C)CCC=O SC-12823 [1,0,0,0,0,0|1,0,0]=2 5 B6R0.4 CN(C)CCCBr SC-12824 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.4 CN(C)CCCBr SC-48972 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.4 CN(C)CCCCl SC-18516 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.4 CN(C)CCCCl SC-53120 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.4 CNCCN(C)C SC-29103 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.4 COCCN(C)C SC-21743 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.6 C=CCCCCBr SC-27023 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.6 C=COCCON SC-93636 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.6 CCCCCNC SC-25672 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.6 CCCCON=O SC-70750 [1,0,0,0,0,0|1,0,0]=2 15 B6R0.6 CCC\C=C\C=O SC-25240 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.6 CCOCCCO SC-00354 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.6 COCCN=C=O SC-72245 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.6 COCCOCCl SC-75748 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.6 C\C=C\CCCO SC-48265 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.6 O=CCCCCCl SC-A3300 [1,0,0,0,0,0|2,0,0]=3 21 B8R0.7 CC(C)OCCCCO SC-82574 [0,1,0,0,0,0|1,0,2]=4 22 B8R0.28 CC(C)C\C=C\C(=O)O SC-96534 [0,1,0,0,0,0|1,0,1]=3 23 B8R0.28 CN(C)C\C=C\C(=O)O SC-20214 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.28 CN(C)C\C=C\C(=O)O SC-82699 [0,1,0,0,0,0|2,0,1]=4 25 B8R1.4 CC1CC(=O)CCN1 SC-14913 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.4 CC1CC(=O)CCN1 SC-26346 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.4 CC1CC(=O)CCO1 SC-43658 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.4 CC1CC(O)CCO1 SC-15639 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.4 CC1CCCC(=O)N1 SC-90092 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.4 CC1CCNC(=O)C1 SC-65553 [0,0,0,1,0,0|1,0,0]=2 31 B8R1.4 CC1CCNC(C)C1 SC-05916 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.4 CC1CNCC(=O)N1 SC-68745 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.4 CN1CCCC(=O)C1 SC-88063 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.4 CN1CCNC(=O)C1 SC-43594 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.4 C[C@H]1COCC(=O)N1 SC-82343 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.4 O=C1CC(O)CCN1 SC-14921 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.4 O=C1CC(O)CCN1 SC-26449 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.4 O=C1CCCC(=O)C1 SC-16085 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.4 O=C1CCCC(O)C1 SC-52929 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.7 CC(C)[C@@H]1CCCN1 SC-A3785 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.19 CC1(C)CCC=[N+]1[O-] SC-26624 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.19 CC1(C)CCOC1=O SC-15803 [0,0,0,1,0,0|0,0,0]=1 43 B8R1.19 CC1(C)OC=CC1=O SC-97893 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.72 CC1(C)CCCNC1 SC-A4757 [0,0,0,1,0,0|3,0,0]=4 45 B5R0.1 CC(=O)CCO SC-65678 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.1 CC(C)=CC=O SC-00290 [2,0,0,0,0,0|0,0,2]=4 47 B5R0.1 CC(C)=CCO SC-77150 [2,0,0,0,0,0|0,0,2]=4 48 B5R0.1 CC(N)CCO SC-82589 [2,0,0,0,0,0|1,0,0]=3 49 B5R0.1 CCCC(C)N SC-53929 [2,0,0,0,0,0|1,0,1]=4 50 B5R0.1 CCCC(C)O SC-03320 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.1 CCNC(C)C SC-84122 [2,0,0,0,0,0|1,0,1]=4 52 B5R0.1 CN(C)CC=O SC-51643 [2,0,0,0,0,0|1,0,0]=3 53 B5R0.1 CN(C)CCBr SC-21756 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.1 CN(C)CCBr SC-27529 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.1 CN(C)CCCl SC-18600 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.1 CN(C)CCCl SC-47184 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 CN(C)CCO SC-87330 [2,0,0,0,0,0|1,0,0]=3 58 B5R0.1 COCC(C)N SC-48787 [2,0,0,0,0,0|1,0,1]=4 59 B5R0.1 COCC(C)O SC-00293 [2,0,0,0,0,0|1,0,1]=4 60 B5R0.1 COC[C@@H](C)N SC-47724 [2,0,0,0,0,0|1,0,1]=4 61 B5R0.1 COC[C@@H](C)O SC-04836 [2,0,0,0,0,0|1,0,1]=4 62 B5R0.1 C[C@@H](N)CCO SC-48293 [2,0,0,0,0,0|1,0,0]=3 63 B5R0.1 C[C@@H](O)CCO SC-05919 [2,0,0,0,0,0|1,0,0]=3 64 B5R0.1 C[C@H](O)CCO SC-02840 [2,0,0,0,0,0|1,0,0]=3 65 B5R0.2 C=CCCCBr SC-47340 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.2 C=CCCCN SC-28944 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.2 C=CCCCO SC-78424 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.2 C=COCCO SC-22660 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.2 CC#CCC=O SC-89818 [2,0,0,0,0,0|0,0,2]=4 70 B5R0.2 CCCCNN SC-68008 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.2 CNCCOC SC-15056 [2,0,0,0,0,0|1,0,1]=4 72 B5R0.2 COCCC=O SC-85357 [2,0,0,0,0,0|1,0,0]=3 73 B5R0.2 COCCCBr SC-20920 [2,0,0,0,0,0|1,0,1]=4 74 B5R0.2 O=CCCC=O SC-13455 [2,0,0,0,0,0|1,0,1]=4 75 B5R0.2 O=CCCCBr SC-69595 [2,0,0,0,0,0|1,0,0]=3 76 B7R0.2 CC(C)C[C@@H](N)CO SC-15764 [1,1,0,0,0,0|0,0,2]=4 77 B7R0.2 CC(C)C[C@H](N)CO SC-08985 [1,1,0,0,0,0|0,0,2]=4 78 B7R0.3 COC(=O)CCC=O SC-47529 [1,1,0,0,0,0|1,0,1]=4 79 B7R0.6 CC(=O)OCC(C)C SC-25600 [1,1,0,0,0,0|0,0,0]=2 80 B7R0.6 CC(C)CCC(=O)O SC-57917 [1,1,0,0,0,0|0,0,0]=2 81 B7R0.6 CC(C)CC[N+](=O)[O-] SC-93989 [1,1,0,0,0,0|1,0,0]=3 82 B7R0.6 CC(C)CNC(N)=S SC-88305 [1,1,0,0,0,0|1,1,0]=4 83 B7R0.6 CC(C)OCC(=O)O SC-88240 [1,1,0,0,0,0|1,0,0]=3 84 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [1,1,0,0,0,0|1,0,0]=3 85 B7R0.6 CN(C)CCC(=O)O SC-84721 [1,1,0,0,0,0|1,0,0]=3 86 B7R0.6 CN(C)CCC(=O)O SC-98010 [1,1,0,0,0,0|1,0,0]=3 87 B7R0.6 CN(C)CCC(N)=O SC-89196 [1,1,0,0,0,0|1,0,0]=3 88 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [1,1,0,0,0,0|1,0,0]=3 89 B7R0.8 O=CCCC(F)(F)F SC-50907 [1,1,0,0,0,0|2,0,0]=4 90 B7R0.1 C=CCCCCCBr SC-44229 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.1 CCCCOCCCl SC-41513 [1,1,0,0,0,0|1,0,1]=4 92 B7R0.1 COCCOCC=O SC-99722 [1,1,0,0,0,0|1,0,0]=3 93 B7R0.1 O=CCCCCCO SC-94633 [1,1,0,0,0,0|1,0,0]=3 94 B9R0.53 CC(C)C[C@H](N)CC(=O)O SC-26176 [0,2,0,0,0,0|1,0,0]=3 95 B9R0.1 CC(C)=CCCC(C)C=O SC-79180 [0,2,0,0,0,0|1,0,1]=4 96 B9R0.50 COC(CC#CC=O)OC SC-91800 [0,2,0,0,0,0|1,0,1]=4 97 B9R0.38 CC(C)(C)CCCCC=O SC-77139 [0,2,0,0,0,0|1,0,0]=3 98 B9R0.7 CC(C)CC[C@H](N)C(=O)O SC-93270 [0,2,0,0,0,0|1,0,0]=3 99 B9R0.56 CC(=O)OCC[N+](C)(C)C SC-46171 [0,2,0,0,0,0|1,0,0]=3 100 B9R0.56 CC(=O)OCC[N+](C)(C)C SC-94067 [0,2,0,0,0,0|1,0,0]=3 101 B9R0.56 CC(=O)SCC[N+](C)(C)C SC-90575 [0,2,0,0,0,0|1,1,0]=4 102 B7R1.2 CC1=CC(=O)CC1 SC-18727 [1,0,0,1,0,0|0,0,2]=4 103 B7R1.2 CC1=CC(=O)OC1 SC-25541 [1,0,0,1,0,0|0,0,2]=4 104 B7R1.2 CC1CCC(=O)C1 SC-93748 [1,0,0,1,0,0|0,0,0]=2 105 B7R1.2 CC1CNC(=O)C1 SC-50248 [1,0,0,1,0,0|1,0,0]=3 106 B7R1.2 CC1COC(=O)C1 SC-60836 [1,0,0,1,0,0|0,0,0]=2 107 B7R1.2 CC1COC(=O)O1 SC-65189 [1,0,0,1,0,0|1,0,0]=3 108 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [1,0,0,1,0,0|1,0,0]=3 109 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [1,0,0,1,0,0|1,0,0]=3 110 B7R1.2 NC1CNC(=O)C1 SC-66063 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.2 NC1COC(=O)C1 SC-34183 [1,0,0,1,0,0|1,0,0]=3 112 B7R1.2 N[C@@H]1CNC(=O)C1 SC-A4379 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.2 N[C@@H]1COC(=O)C1 SC-71558 [1,0,0,1,0,0|1,0,0]=3 114 B7R1.2 O=C1CC(O)CN1 SC-29049 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.2 O=C1CCC(=O)C1 SC-15331 [1,0,0,1,0,0|1,0,1]=4 116 B7R1.2 O=C1COC(=O)C1 SC-86968 [1,0,0,1,0,0|1,0,1]=4 117 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [1,0,0,1,0,0|1,0,0]=3 120 B7R1.3 BrC1CCOCC1 SC-27394 [1,0,0,1,0,0|1,0,1]=4 121 B7R1.3 CC1CCCCC1 SC-79075 [1,0,0,1,0,0|1,0,1]=4 122 B7R1.3 CC1CCCNC1 SC-46299 [1,0,0,1,0,0|1,0,1]=4 123 B7R1.3 CC1CCNCC1 SC-05890 [1,0,0,1,0,0|1,0,1]=4 124 B7R1.3 C[C@H]1CCCNC1 SC-99949 [1,0,0,1,0,0|1,0,1]=4 125 B7R1.3 IC1CCOCC1 SC-98886 [1,0,0,1,0,0|1,0,1]=4 126 B7R1.3 NC1CCOCC1 SC-03529 [1,0,0,1,0,0|1,0,1]=4 127 B7R1.3 NC1CCOCC1 SC-04006 [1,0,0,1,0,0|1,0,1]=4 128 B7R1.3 OC1CC=CCC1 SC-87372 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.3 OC1CCOCC1 SC-02372 [1,0,0,1,0,0|1,0,1]=4 130 B7R1.3 SC1CCOCC1 SC-47759 [1,0,0,1,0,0|1,0,1]=4 131 B7R1.7 C=CCCC1CO1 SC-99784 [1,0,0,1,0,0|2,0,0]=4 132 B7R1.10 COC1CC(O)C1 SC-A4338 [1,0,0,1,0,0|1,0,1]=4 133 B7R1.14 CC1(C)CCCN1 SC-89406 [1,0,0,1,0,0|1,0,1]=4 134 B7R1.14 CC1(C)CCNC1 SC-B8345 [1,0,0,1,0,0|1,0,1]=4 135 B7R1.14 CC1(C)COC=N1 SC-69344 [1,0,0,1,0,0|1,0,0]=3 136 B7R1.14 CC1(C)COCN1 SC-A4039 [1,0,0,1,0,0|1,0,1]=4 137 B7R1.1 O=CC1CCCC1 SC-21778 [1,0,0,1,0,0|1,0,0]=3 138 B7R1.1 O=CC1CCCC1 SC-44728 [1,0,0,1,0,0|1,0,0]=3 139 B7R1.1 O=CC1CCNC1 SC-85271 [1,0,0,1,0,0|2,0,0]=4 140 B7R1.4 C=C1CCOC1=O SC-19579 [1,0,0,1,0,0|0,0,2]=4 141 B7R1.4 CC1CCCC1=O SC-89605 [1,0,0,1,0,0|1,0,0]=3 142 B7R1.4 CC1CCNC1=O SC-21672 [1,0,0,1,0,0|1,0,0]=3 143 B7R1.4 CC1CCOC1=O SC-20996 [1,0,0,1,0,0|0,0,0]=2 144 B7R1.4 CN1CCNC1=O SC-89793 [1,0,0,1,0,0|2,0,0]=4 145 B7R1.4 NC1CCNC1=O SC-13910 [1,0,0,1,0,0|2,0,0]=4 146 B7R1.4 NC1CCNC1=O SC-53072 [1,0,0,1,0,0|2,0,0]=4 147 B7R1.4 N[C@@H]1CCNC1=O SC-65959 [1,0,0,1,0,0|2,0,0]=4 148 B7R1.4 N[C@@H]1CCNC1=O SC-A2225 [1,0,0,1,0,0|2,0,0]=4 149 B7R1.4 N[C@@H]1CCOC1=O SC-28003 [1,0,0,1,0,0|1,0,0]=3 150 B7R1.4 N[C@H]1CCNC1=O SC-96457 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.4 N[C@H]1CCOC1=O SC-01385 [1,0,0,1,0,0|1,0,0]=3 152 B7R1.4 N[C@H]1CCOC1=O SC-28113 [1,0,0,1,0,0|1,0,0]=3 153 B7R1.4 O=C1CCCC1Cl SC-21538 [1,0,0,1,0,0|2,0,0]=4 154 B7R1.4 O=C1NCCC1O SC-26159 [1,0,0,1,0,0|2,0,0]=4 155 B7R1.4 O=C1NCC[C@H]1O SC-87526 [1,0,0,1,0,0|2,0,0]=4 156 B7R1.4 O=C1OCCC1Br SC-15437 [1,0,0,1,0,0|1,0,0]=3 157 B9R1.34 CC1CC(=O)CC(=O)C1 SC-26551 [0,1,0,1,0,0|1,0,1]=4 158 B9R1.34 CC1CC(=O)CC(C)N1 SC-49668 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.34 CC1CC(=O)CC(C)O1 SC-43659 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.34 CC1CC(=O)OC(=O)C1 SC-68133 [0,1,0,1,0,0|0,0,1]=3 161 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)N1 SC-88301 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 SC-88300 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.53 CC(=O)OC1CC(=O)C1 SC-22301 [0,1,0,1,0,0|1,0,1]=4 164 B9R1.66 CC1(C)CC(=O)CCO1 SC-22069 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.66 CC1(C)CCCC(=O)C1 SC-67598 [0,1,0,1,0,0|1,0,0]=3 166 B9R1.2 CCC1CC(=O)CCN1 SC-35111 [0,1,0,1,0,0|2,0,0]=4 167 B9R1.2 O=C1CCCC(CO)N1 SC-21439 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.49 CN1CCCC(=O)CC1 SC-01972 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.6 CC(C)C1COCCN1 SC-14189 [0,1,0,1,0,0|1,0,1]=4 170 B9R1.35 CC(=O)N1CCC(O)C1 SC-00079 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.35 CC(C)[C@@H]1CSC(=S)N1 SC-49794 [0,1,0,1,0,0|0,2,0]=4 172 B9R1.35 CN1CCC(C(=O)O)C1 SC-38317 [0,1,0,1,0,0|2,0,0]=4 173 B9R1.35 CN1CCC(C(=O)O)C1 SC-71513 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.35 NC1CCC(C(=O)O)C1 SC-62151 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-82495 [0,1,0,1,0,0|2,0,0]=4 176 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-93696 [0,1,0,1,0,0|2,0,0]=4 177 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-48064 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-93674 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-52614 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-69232 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.35 O=C(O)C1CCC(O)C1 SC-48116 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.35 [C@@H]1(C(C)C)COC(=O)N1 SC-07436 [0,1,0,1,0,0|0,0,0]=2 183 B9R1.35 [C@H]1(C(C)C)COC(=O)N1 SC-01650 [0,1,0,1,0,0|0,0,0]=2 184 B9R1.35 [C@H]1(C(C)C)CSC(=S)N1 SC-08832 [0,1,0,1,0,0|0,2,0]=4 185 B9R1.69 CC1CC(=O)CCN1C SC-21165 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.10 CC1(C)C=CC(=O)CC1 SC-25845 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.133 [C@H]1(C=O)COC(C)(C)O1 SC-01295 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.138 CC1(C)COC(=O)C1=O SC-67142 [0,1,0,1,0,0|2,0,0]=4 189 B9R2.39 O=C1CC2CCC1C2 SC-50094 [0,0,0,2,0,0|1,0,0]=3 190 B9R2.39 [C@H]12CC[C@H](C1)C(=O)N2 SC-52249 [0,0,0,2,0,0|2,0,0]=4 191 B9R2.109 O=C1CCCC2OC12 SC-A3025 [0,0,0,2,0,0|2,0,0]=4