0 B7R0.3 C#CCCC(=O)OC SC-92252 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.3 C=CCOC(=O)OC SC-82329 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.3 CCCCC(=N)OC SC-91480 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.3 CCOCC(Cl)OC SC-94025 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.3 COC(=O)C#CCO SC-48272 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.3 COC(=O)CCC=O SC-47529 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.3 COC(=O)CCCCl SC-15079 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.3 COC(=O)CN=C=O SC-49023 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.3 COC(=O)CN=[N+]=[N-] SC-96313 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.3 COC(=O)\C=C\CBr SC-17676 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.3 COC(=O)\C=C\CBr SC-49570 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.3 COCCC(=O)OC SC-46379 [0,0,0,0,0,0|0,1,0]=1 12 B7R0.3 CO\C=C\C(=O)OC SC-90792 [0,0,0,0,0,0|0,1,2]=3 13 B7R0.3 CSCCC(O)C#N SC-A3341 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.3 [C-]#[N+]CCC(=O)OC SC-88998 [0,0,0,0,0,0|1,0,1]=2 15 B6R0.1 C#CC(=O)OCC SC-05846 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.1 C#CCC(=O)OC SC-13148 [1,0,0,0,0,0|0,0,2]=3 17 B6R0.1 C=CCC(=O)OC SC-48829 [1,0,0,0,0,0|0,0,2]=3 18 B6R0.1 CC#CC(=O)OC SC-48510 [1,0,0,0,0,0|0,0,2]=3 19 B6R0.1 CCOC(=O)C#N SC-20120 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.1 CCOC(=O)CBr SC-17870 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.1 CCOC(=O)CCl SC-79310 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.1 CCOC(=O)CN SC-09569 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.1 CCOC(=O)CN SC-48652 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.1 CCOC(=O)CO SC-50412 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.1 CCOC(=O)CS SC-18381 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.1 CCOC(=O)NN SC-50147 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.1 CNC(=O)CC#N SC-97600 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.1 CNCC(=O)OC SC-10432 [1,0,0,0,0,0|1,0,0]=2 29 B6R0.1 COC(=O)C#CBr SC-66291 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.1 COC(=O)CC=O SC-53143 [1,0,0,0,0,0|0,1,1]=3 31 B6R0.1 COC(=O)CCBr SC-18677 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.1 COC(=O)CCN SC-21486 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.1 COC(=O)CCO SC-21690 [1,0,0,0,0,0|0,1,0]=2 34 B6R0.1 COC(=O)CSC SC-20536 [1,0,0,0,0,0|0,0,0]=1 35 B6R0.1 COC(=O)N=C=S SC-A2325 [1,0,0,0,0,0|1,0,2]=4 36 B6R0.1 COC(=O)OCCl SC-53303 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.1 COCC(=O)NN SC-54001 [1,0,0,0,0,0|2,1,0]=4 38 B6R0.1 COCC(=O)OC SC-62202 [1,0,0,0,0,0|0,1,0]=2 39 B6R0.1 C\C=C\C(=O)OC SC-22589 [1,0,0,0,0,0|0,0,2]=3 40 B6R0.1 [C-]#[N+]CC(=O)OC SC-19522 [1,0,0,0,0,0|1,0,1]=3 41 B6R0.4 C=C(C)CNCC SC-47240 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.4 C=CCCC(=O)O SC-25836 [1,0,0,0,0,0|1,0,1]=3 43 B6R0.4 C=CNCC(=O)O SC-20808 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.4 CC(=O)CCCBr SC-91341 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.4 CC(=O)NCCN SC-19651 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.4 CCCCC(=O)Cl SC-46867 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.4 CC\C=C\C(=O)O SC-92876 [1,0,0,0,0,0|1,0,2]=4 48 B6R0.4 CNCCC(=O)O SC-27492 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.4 CNCCC(=O)O SC-52914 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.4 CNCCN(C)C SC-29103 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.4 COCCC(=O)O SC-50255 [1,0,0,0,0,0|0,1,0]=2 52 B6R0.4 COCCN(C)C SC-21743 [1,0,0,0,0,0|2,1,0]=4 53 B6R0.4 CO\C=C\C(C)=O SC-71024 [1,0,0,0,0,0|0,1,2]=4 54 B6R0.4 CSCCC(=O)O SC-96567 [1,0,0,0,0,0|0,0,0]=1 55 B6R0.4 NCCCC(=O)O SC-10045 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.4 O=C(Cl)CCCBr SC-70369 [1,0,0,0,0,0|3,0,0]=4 57 B6R0.4 O=C(O)CCCCl SC-89723 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.6 CCCCCNC SC-25672 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.6 CNCCCNC SC-47576 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.6 CNCCCOC SC-51293 [1,0,0,0,0,0|1,0,1]=3 61 B6R0.6 COCCCCCl SC-01876 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.6 COCCCOC SC-47077 [1,0,0,0,0,0|0,1,1]=3 63 B6R0.6 COCOCOC SC-73621 [1,0,0,0,0,0|1,1,1]=4 64 B6R0.6 C\C=C\CCCO SC-48265 [1,0,0,0,0,0|3,0,0]=4 65 B8R0.1 CCC#CC(=O)OCC SC-70982 [0,1,0,0,0,0|1,0,2]=4 66 B8R0.1 CCOC(=O)CCCN SC-87395 [0,1,0,0,0,0|2,0,0]=3 67 B8R0.1 CCOC(=O)CCCO SC-99324 [0,1,0,0,0,0|2,0,0]=3 68 B8R0.1 CCOC(=O)CN=C=S SC-44680 [0,1,0,0,0,0|3,0,0]=4 69 B8R0.1 CCOC(=O)CN=[N+]=[N-] SC-13270 [0,1,0,0,0,0|3,0,0]=4 70 B8R0.1 CCOC(=O)CNC=O SC-19934 [0,1,0,0,0,0|3,0,0]=4 71 B8R0.3 C=CCC(N)C(=O)OC SC-A2429 [0,1,0,0,0,0|1,0,1]=3 72 B8R0.3 CCCC(N)C(=O)OC SC-10383 [0,1,0,0,0,0|1,0,0]=2 73 B8R0.3 COC(=O)C(Br)CCBr SC-22210 [0,1,0,0,0,0|2,0,0]=3 74 B8R0.6 C#CCCCC(=O)OC SC-82496 [0,1,0,0,0,0|1,0,1]=3 75 B8R0.6 CCCSCC(=O)OC SC-44744 [0,1,0,0,0,0|1,0,0]=2 76 B8R0.6 COC(=O)CCCCBr SC-66180 [0,1,0,0,0,0|1,0,0]=2 77 B8R0.8 CCCCC(=O)C(=O)[O-] SC-94857 [0,1,0,0,0,0|3,0,0]=4 78 B8R0.9 CCC(=O)CCC(=O)O SC-58454 [0,1,0,0,0,0|3,0,0]=4 79 B8R0.9 COC(=O)CCC(=O)Cl SC-13608 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.9 COC(=O)CCC(C)=O SC-74448 [0,1,0,0,0,0|1,0,0]=2 81 B8R0.9 COC(=O)CCS(=O)[O-] SC-49113 [0,1,0,0,0,0|1,0,1]=3 82 B8R0.9 COC(=O)NCC(=O)O SC-01599 [0,1,0,0,0,0|3,0,0]=4 83 B8R0.19 CCC(=O)CC(=O)OC SC-13642 [0,1,0,0,0,0|1,0,1]=3 84 B8R0.19 CN\C(C)=C/C(=O)OC SC-38289 [0,1,0,0,0,0|1,0,2]=4 85 B8R0.19 COC(=O)CC(=O)CCl SC-22714 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.19 COC(=O)CC(=O)OC SC-25683 [0,1,0,0,0,0|0,1,1]=3 87 B8R0.19 COC(=O)C[C@@H](O)CCl SC-08919 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.1 C=CC1COC(=O)O1 SC-15987 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.1 O=C1CC(CO)CN1 SC-66045 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.1 O=C1N[C@@H](CO)CO1 SC-33166 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.2 COC1=CCCCC1 SC-28269 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.2 COC1CCNCC1 SC-04308 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.3 CC1=CCC(=O)CC1 SC-25236 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.3 CC1=CCC(=O)CC1 SC-83877 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.3 CC1=NNC(=O)CC1 SC-73679 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.3 CN1CCC(=O)CC1 SC-01124 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.3 CN1CCC(=O)CC1 SC-90211 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.3 NC1CCC(=O)CC1 SC-51421 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.3 NC1CCC(=O)CC1 SC-94303 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.3 N[C@H]1CCC(=O)NC1 SC-A3084 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.3 O=C1CCC(=O)CC1 SC-15336 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.3 O=C1CCC(=O)NC1 SC-35404 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.3 O=C1CCC(O)CC1 SC-22101 [0,0,0,1,0,0|3,0,0]=4 104 B8R1.3 O=C1CCC(O)CN1 SC-14920 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.3 O=C1COC(=O)CN1 SC-96522 [0,0,0,1,0,0|3,0,0]=4 106 B8R1.3 O=C1COC(=O)CO1 SC-86894 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.5 CC1CCCCC1=O SC-20428 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.5 NC1CCCCC1=O SC-22252 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.5 NC1CCCCC1=O SC-84826 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.5 O=C1CCCCC1=O SC-46435 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.5 O=C1CCCCC1Br SC-86496 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.5 O=C1CCCCC1Cl SC-20977 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.5 O=C1CCCCC1O SC-49144 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.5 O=C1CCNCC1Br SC-94331 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.5 O=C1CCOCC1Br SC-33711 [0,0,0,1,0,0|2,1,0]=4 116 B8R1.22 O=C1C=CCCCC1 SC-99582 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.22 O=C1CCCNCC1 SC-20974 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.22 O=C1CCCNCC1 SC-20993 [0,0,0,1,0,0|2,0,0]=3 119 B8R1.22 O=C1CCNCCN1 SC-05951 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.22 O=C1CNCCCN1 SC-21981 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.38 COC(=O)C1CNC1 SC-12674 [0,0,0,1,0,0|1,0,0]=2 122 B8R1.38 COC(=O)C1CNC1 SC-12778 [0,0,0,1,0,0|1,0,0]=2 123 B8R1.38 O=C(CBr)C1CCC1 SC-23369 [0,0,0,1,0,0|3,0,0]=4 124 B8R1.40 COC(=O)CC1CC1 SC-93890 [0,0,0,1,0,0|1,0,0]=2 125 B8R1.40 NNC(=O)CC1CC1 SC-91241 [0,0,0,1,0,0|3,0,0]=4 126 B8R1.50 CC1=C(O)C(=O)CC1 SC-74535 [0,0,0,1,0,0|3,0,0]=4 127 B8R1.50 CC1C(=O)CCC1=O SC-62325 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.50 CN1C(=O)CCC1O SC-88414 [0,0,0,1,0,0|3,0,0]=4 129 B8R1.83 COC(=O)[C@@H]1O[C@H]1C SC-49429 [0,0,0,1,0,0|2,0,0]=3 130 B5R0.1 C#CCC(=O)O SC-40344 [2,0,0,0,0,0|0,0,2]=4 131 B5R0.1 C=C(C)CCBr SC-26305 [2,0,0,0,0,0|2,0,0]=4 132 B5R0.1 C=C(C)OCC SC-18086 [2,0,0,0,0,0|2,0,0]=4 133 B5R0.1 C=CCC(=O)O SC-49093 [2,0,0,0,0,0|0,0,2]=4 134 B5R0.1 CC#CC(=O)O SC-76460 [2,0,0,0,0,0|0,0,2]=4 135 B5R0.1 CC(=O)CC#N SC-26510 [2,0,0,0,0,0|1,0,1]=4 136 B5R0.1 CC(=O)CCCl SC-21586 [2,0,0,0,0,0|1,0,0]=3 137 B5R0.1 CC(=O)CCO SC-65678 [2,0,0,0,0,0|0,1,0]=3 138 B5R0.1 CC(=O)OCBr SC-44237 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.1 CCCB(O)O SC-47544 [2,0,0,0,0,0|1,0,1]=4 140 B5R0.1 CCCC(=N)N SC-19347 [2,0,0,0,0,0|2,0,0]=4 141 B5R0.1 CCCC(=O)Cl SC-18924 [2,0,0,0,0,0|1,0,0]=3 142 B5R0.1 CCCC(=O)[O-] SC-15718 [2,0,0,0,0,0|0,0,1]=3 143 B5R0.1 CCCC(C)N SC-53929 [2,0,0,0,0,0|1,0,1]=4 144 B5R0.1 CCCC(C)O SC-03320 [2,0,0,0,0,0|0,0,2]=4 145 B5R0.1 CCCC(N)=O SC-46377 [2,0,0,0,0,0|1,0,0]=3 146 B5R0.1 CCOC(C)=N SC-02547 [2,0,0,0,0,0|2,0,0]=4 147 B5R0.1 CCOC(C)=N SC-A3540 [2,0,0,0,0,0|2,0,0]=4 148 B5R0.1 CCOC(N)=O SC-16133 [2,0,0,0,0,0|2,0,0]=4 149 B5R0.1 CNCC(=O)O SC-10425 [2,0,0,0,0,0|1,0,0]=3 150 B5R0.1 CNCC(N)=O SC-10429 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.1 COCC(=O)Cl SC-27381 [2,0,0,0,0,0|1,1,0]=4 152 B5R0.1 CS(=O)CCN SC-89327 [2,0,0,0,0,0|2,0,0]=4 153 B5R0.1 CSCS(C)=O SC-87090 [2,0,0,0,0,0|1,0,0]=3 154 B5R0.1 CSNC(C)=O SC-28667 [2,0,0,0,0,0|1,0,0]=3 155 B5R0.1 C\C=C/C(=O)O SC-25924 [2,0,0,0,0,0|0,0,2]=4 156 B5R0.1 C\C=C/C(C)=O SC-48085 [2,0,0,0,0,0|0,0,2]=4 157 B5R0.1 N#CCC(=O)O SC-18648 [2,0,0,0,0,0|1,0,1]=4 158 B5R0.1 NCCC(=O)O SC-10014 [2,0,0,0,0,0|1,0,0]=3 159 B5R0.1 NCCC(N)=O SC-48688 [2,0,0,0,0,0|2,0,0]=4 160 B5R0.1 NCCC(N)=O SC-84499 [2,0,0,0,0,0|2,0,0]=4 161 B5R0.1 O=C(Cl)CCCl SC-16310 [2,0,0,0,0,0|2,0,0]=4 162 B5R0.1 O=C(O)CCBr SC-18441 [2,0,0,0,0,0|1,0,0]=3 163 B5R0.1 O=C(O)CCS SC-22642 [2,0,0,0,0,0|0,0,0]=2 164 B5R0.2 C=CCSSC SC-87236 [2,0,0,0,0,0|1,0,1]=4 165 B5R0.2 CC#CCC=O SC-89818 [2,0,0,0,0,0|1,0,1]=4 166 B5R0.2 CNCCCO SC-94106 [2,0,0,0,0,0|1,0,1]=4 167 B5R0.2 CNCCNC SC-19090 [2,0,0,0,0,0|2,0,0]=4 168 B5R0.2 CNCCOC SC-15056 [2,0,0,0,0,0|1,0,0]=3 169 B5R0.2 CNCCSC SC-74374 [2,0,0,0,0,0|1,0,0]=3 170 B5R0.2 CNCCSC SC-83575 [2,0,0,0,0,0|1,0,0]=3 171 B5R0.2 COCCC=O SC-85357 [2,0,0,0,0,0|0,1,0]=3 172 B5R0.2 COCCCBr SC-20920 [2,0,0,0,0,0|1,0,1]=4 173 B5R0.2 COCCNN SC-53129 [2,0,0,0,0,0|2,0,0]=4 174 B5R0.2 COCCNN SC-70814 [2,0,0,0,0,0|2,0,0]=4 175 B5R0.2 C\C=C\OCC SC-89361 [2,0,0,0,0,0|2,0,0]=4 176 B5R0.2 O=CCCC=O SC-13455 [2,0,0,0,0,0|2,0,0]=4 177 B5R0.2 O=CCCCBr SC-69595 [2,0,0,0,0,0|2,0,0]=4 178 B5R0.3 C#CC(=O)OC SC-27849 [2,0,0,0,0,0|0,0,2]=4 179 B5R0.3 CCC(=O)NN SC-25039 [2,0,0,0,0,0|2,0,0]=4 180 B5R0.3 CC[PH](=O)CC SC-96905 [2,0,0,0,0,0|2,0,0]=4 181 B5R0.3 CNC(=O)CBr SC-27946 [2,0,0,0,0,0|2,0,0]=4 182 B5R0.3 CNC(=O)CN SC-47802 [2,0,0,0,0,0|2,0,0]=4 183 B5R0.3 CNC(=O)OC SC-97890 [2,0,0,0,0,0|1,0,0]=3 184 B5R0.3 COC(=O)C#N SC-49091 [2,0,0,0,0,0|1,0,1]=4 185 B5R0.3 COC(=O)CBr SC-15855 [2,0,0,0,0,0|1,0,0]=3 186 B5R0.3 COC(=O)CN SC-09571 [2,0,0,0,0,0|1,0,0]=3 187 B5R0.3 COC(=O)CN SC-49390 [2,0,0,0,0,0|1,0,0]=3 188 B5R0.3 COC(=O)CO SC-28291 [2,0,0,0,0,0|0,1,0]=3 189 B5R0.3 COC(=O)CS SC-54102 [2,0,0,0,0,0|0,0,0]=2 190 B5R0.3 COS(=O)OC SC-25522 [2,0,0,0,0,0|1,1,0]=4 191 B5R0.3 CSC(=S)SC SC-19457 [2,0,0,0,0,0|0,2,0]=4 192 B7R0.2 COC(=O)CC(=O)Cl SC-16087 [1,1,0,0,0,0|0,1,1]=4 193 B7R0.2 COC(=O)CC(=O)O SC-21351 [1,1,0,0,0,0|0,1,1]=4 194 B7R0.2 COC(=O)CC(C)Br SC-67097 [1,1,0,0,0,0|0,0,0]=2 195 B7R0.2 COC(=O)C[C@@H](C)N SC-88822 [1,1,0,0,0,0|0,0,0]=2 196 B7R0.2 COC(=O)C[C@@H](C)N SC-A1096 [1,1,0,0,0,0|0,0,0]=2 197 B7R0.2 COC(=O)C[N+](=O)[O-] SC-21869 [1,1,0,0,0,0|1,1,0]=4 198 B7R0.5 CCNC(=O)[C@H](C)O SC-12514 [1,1,0,0,0,0|2,0,0]=4 199 B7R0.5 CCOC(=O)C(C)=O SC-15232 [1,1,0,0,0,0|2,0,0]=4 200 B7R0.5 CCOC(=O)C(C)Br SC-27136 [1,1,0,0,0,0|2,0,0]=4 201 B7R0.5 CCOC(=O)C(C)Cl SC-13657 [1,1,0,0,0,0|2,0,0]=4 202 B7R0.5 CCOC(=O)C(C)F SC-75945 [1,1,0,0,0,0|2,0,0]=4 203 B7R0.5 CCOC(=O)C(C)N SC-09294 [1,1,0,0,0,0|2,0,0]=4 204 B7R0.5 CCOC(=O)C(C)N SC-13100 [1,1,0,0,0,0|2,0,0]=4 205 B7R0.5 CCOC(=O)C(C)N SC-15274 [1,1,0,0,0,0|2,0,0]=4 206 B7R0.5 CCOC(=O)N(C)C SC-88157 [1,1,0,0,0,0|2,0,0]=4 207 B7R0.5 CCOC(=O)[C@@H](C)O SC-15791 [1,1,0,0,0,0|2,0,0]=4 208 B7R0.5 CNCC(=O)N(C)C SC-A2871 [1,1,0,0,0,0|2,0,0]=4 209 B7R0.7 CC#CC(=O)OCC SC-54369 [1,1,0,0,0,0|0,0,2]=4 210 B7R0.7 CCOC(=O)CC#N SC-22643 [1,1,0,0,0,0|1,0,1]=4 211 B7R0.7 CCOC(=O)CC=O SC-14726 [1,1,0,0,0,0|0,1,1]=4 212 B7R0.7 CCOC(=O)CCI SC-02730 [1,1,0,0,0,0|1,0,0]=3 213 B7R0.7 CCOC(=O)CCN SC-83852 [1,1,0,0,0,0|1,0,0]=3 214 B7R0.7 CCOC(=O)CCO SC-43709 [1,1,0,0,0,0|0,1,0]=3 215 B7R0.7 CCOC(=O)CCS SC-44443 [1,1,0,0,0,0|0,0,0]=2 216 B7R0.7 CCOC(=O)CNN SC-06315 [1,1,0,0,0,0|2,0,0]=4 217 B7R0.7 CCOC(=O)OCC SC-25934 [1,1,0,0,0,0|1,0,0]=3 218 B7R0.7 CCOC(=O)OCCl SC-35252 [1,1,0,0,0,0|1,0,0]=3 219 B7R0.7 COCC(=O)COC SC-43684 [1,1,0,0,0,0|0,1,0]=3 220 B7R0.7 O=C(CCCl)CCCl SC-03815 [1,1,0,0,0,0|2,0,0]=4 221 B7R0.7 [C-]#[N+]CC(=O)OCC SC-03259 [1,1,0,0,0,0|1,0,1]=4 222 B7R0.10 C=C(CO)C(=O)OC SC-53992 [1,1,0,0,0,0|0,1,1]=4 223 B7R0.10 CC[C@@H](O)C(=O)OC SC-49455 [1,1,0,0,0,0|0,0,0]=2 224 B7R0.10 CC[C@H](N)C(=O)OC SC-33322 [1,1,0,0,0,0|0,0,0]=2 225 B7R0.10 CC[C@H](N)C(=O)OC SC-91370 [1,1,0,0,0,0|0,0,0]=2 226 B7R0.10 CNC(C)C(=O)OC SC-82127 [1,1,0,0,0,0|1,0,0]=3 227 B7R0.10 CN[C@@H](C)C(=O)OC SC-84501 [1,1,0,0,0,0|1,0,0]=3 228 B7R0.10 COC(=O)C(=O)CBr SC-15244 [1,1,0,0,0,0|1,0,1]=4 229 B7R0.10 COC(=O)C(Br)CO SC-87315 [1,1,0,0,0,0|0,1,0]=3 230 B7R0.10 COC(=O)C(Br)SC SC-83274 [1,1,0,0,0,0|0,0,0]=2 231 B7R0.10 COC(=O)C(C)CN SC-53925 [1,1,0,0,0,0|1,0,0]=3 232 B7R0.10 COC(=O)C(C)CO SC-08906 [1,1,0,0,0,0|0,1,0]=3 233 B7R0.10 COC(=O)C(C)CO SC-08907 [1,1,0,0,0,0|0,1,0]=3 234 B7R0.10 COC(=O)C(C)OC SC-92649 [1,1,0,0,0,0|0,1,0]=3 235 B7R0.10 COC(=O)C(Cl)C=O SC-53173 [1,1,0,0,0,0|0,1,1]=4 236 B7R0.10 COC(=O)C(Cl)CCl SC-48264 [1,1,0,0,0,0|1,0,0]=3 237 B7R0.10 COC(=O)C(N)CO SC-09862 [1,1,0,0,0,0|0,1,0]=3 238 B7R0.10 COC(=O)C(N)CO SC-51728 [1,1,0,0,0,0|0,1,0]=3 239 B7R0.10 COC(=O)[C@@H](C)CBr SC-08853 [1,1,0,0,0,0|1,0,0]=3 240 B7R0.10 COC(=O)[C@@H](N)CS SC-22400 [1,1,0,0,0,0|0,0,0]=2 241 B7R0.10 COC(=O)[C@@H](O)CO SC-44674 [1,1,0,0,0,0|0,1,0]=3 242 B7R0.10 COC(=O)[C@H](N)CCl SC-44813 [1,1,0,0,0,0|1,0,0]=3 243 B7R0.10 COC(=O)[C@H](N)CO SC-21448 [1,1,0,0,0,0|0,1,0]=3 244 B7R0.10 COC(=O)[C@H](N)CS SC-95830 [1,1,0,0,0,0|0,0,0]=2 245 B7R0.10 C\C=C(/Br)C(=O)OC SC-89362 [1,1,0,0,0,0|0,0,2]=4 246 B7R0.4 C#CCCCC(=O)O SC-73017 [1,1,0,0,0,0|1,0,1]=4 247 B7R0.4 C#CCNCC(=O)O SC-10418 [1,1,0,0,0,0|1,0,1]=4 248 B7R0.4 C#CCNCC(=O)O SC-10419 [1,1,0,0,0,0|1,0,1]=4 249 B7R0.4 C#CCNCC(=O)O SC-65650 [1,1,0,0,0,0|1,0,1]=4 250 B7R0.4 C=CCNCC(=O)O SC-74362 [1,1,0,0,0,0|1,0,1]=4 251 B7R0.4 C=CCOCC(=O)O SC-49027 [1,1,0,0,0,0|1,0,1]=4 252 B7R0.4 CCCC#CC(=O)O SC-96568 [1,1,0,0,0,0|1,0,1]=4 253 B7R0.4 CCCNCC(=O)O SC-97541 [1,1,0,0,0,0|1,0,0]=3 254 B7R0.4 CCCSCC(=O)O SC-45283 [1,1,0,0,0,0|1,0,0]=3 255 B7R0.4 CCC\C=C\C(C)=O SC-49007 [1,1,0,0,0,0|1,0,1]=4 256 B7R0.4 CNCCCC(=O)O SC-49793 [1,1,0,0,0,0|1,0,0]=3 257 B7R0.4 CNCCCC(=O)O SC-A2900 [1,1,0,0,0,0|1,0,0]=3 258 B7R0.4 COCCCC(=O)O SC-51378 [1,1,0,0,0,0|0,1,0]=3 259 B7R0.4 COCCNC(N)=O SC-62189 [1,1,0,0,0,0|1,1,0]=4 260 B7R0.4 C\C=C\CCC(=O)O SC-21245 [1,1,0,0,0,0|1,0,0]=3 261 B7R0.4 NC(=O)CCCCBr SC-98143 [1,1,0,0,0,0|2,0,0]=4 262 B7R0.4 NCCCCC(=O)O SC-10120 [1,1,0,0,0,0|1,0,0]=3 263 B7R0.4 NCCCCC(=O)O SC-92391 [1,1,0,0,0,0|1,0,0]=3 264 B7R0.4 NCCCCC(N)=O SC-94858 [1,1,0,0,0,0|2,0,0]=4 265 B7R0.4 NCCCCC(N)=O SC-A4262 [1,1,0,0,0,0|2,0,0]=4 266 B7R0.4 NCCNCC(=O)O SC-21750 [1,1,0,0,0,0|2,0,0]=4 267 B7R0.4 O=C(Cl)CCCCBr SC-13447 [1,1,0,0,0,0|2,0,0]=4 268 B7R0.4 O=C(Cl)CCCCCl SC-16009 [1,1,0,0,0,0|2,0,0]=4 269 B7R0.4 O=C(O)CCCCBr SC-02338 [1,1,0,0,0,0|1,0,0]=3 270 B7R0.6 CC(=O)OCC(C)C SC-25600 [1,1,0,0,0,0|2,0,0]=4 271 B7R0.6 CC(C)CCC(=O)O SC-57917 [1,1,0,0,0,0|1,0,0]=3 272 B7R0.6 CC(C)OCC(=O)O SC-88240 [1,1,0,0,0,0|2,0,0]=4 273 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [1,1,0,0,0,0|2,0,0]=4 274 B7R0.6 CN(C)CCC(=O)O SC-84721 [1,1,0,0,0,0|1,0,0]=3 275 B7R0.6 CN(C)CCC(=O)O SC-98010 [1,1,0,0,0,0|1,0,0]=3 276 B7R0.6 CN(C)CCC(N)=O SC-89196 [1,1,0,0,0,0|2,0,0]=4 277 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [1,1,0,0,0,0|2,0,0]=4 278 B7R0.6 O=C(O)CCC(=O)O SC-47173 [1,1,0,0,0,0|2,0,0]=4 279 B7R0.8 CNCCS(=O)(=O)O SC-99470 [1,1,0,0,0,0|2,0,0]=4 280 B9R0.5 CCOC(=O)CCCCBr SC-01170 [0,2,0,0,0,0|1,0,0]=3 281 B9R0.5 CCOC(=O)COCCCl SC-50034 [0,2,0,0,0,0|2,0,0]=4 282 B9R0.8 COC(=O)C(Br)CCCBr SC-A2626 [0,2,0,0,0,0|1,0,0]=3 283 B9R0.8 COC(=O)C(N)CCSC SC-17534 [0,2,0,0,0,0|0,0,0]=2 284 B9R0.18 CCCCC(=O)CCCC SC-89430 [0,2,0,0,0,0|2,0,0]=4 285 B9R0.34 CCOC(=O)CC(=O)CC SC-20988 [0,2,0,0,0,0|1,0,1]=4 286 B9R0.34 CCOC(=O)C[C@H](O)CCl SC-07048 [0,2,0,0,0,0|2,0,0]=4 287 B9R0.35 CCCC(=O)C(=O)OCC SC-70469 [0,2,0,0,0,0|1,0,1]=4 288 B9R0.35 CCCC(Br)C(=O)OCC SC-22687 [0,2,0,0,0,0|1,0,0]=3 289 B9R0.35 CCOC(=O)C(Cl)OCC SC-93070 [0,2,0,0,0,0|2,0,0]=4 290 B9R0.48 CCOC(=O)CCC(=O)Cl SC-17543 [0,2,0,0,0,0|2,0,0]=4 291 B9R0.48 CCOC(=O)CCC(=O)O SC-48671 [0,2,0,0,0,0|2,0,0]=4 292 B9R0.48 CCOC(=O)CCC(C)=O SC-25835 [0,2,0,0,0,0|1,0,0]=3 293 B9R0.48 CCOC(=O)CC[N+](=O)[O-] SC-91165 [0,2,0,0,0,0|2,0,0]=4 294 B9R0.23 CCC(=O)C(C)CN(C)C SC-44504 [0,2,0,0,0,0|2,0,0]=4 295 B9R0.23 COC(=O)[C@@H](N)CC(=O)O SC-24738 [0,2,0,0,0,0|2,0,0]=4 296 B9R0.27 CCC(=O)C(C)C(=O)OC SC-43692 [0,2,0,0,0,0|1,0,1]=4 297 B9R0.27 COC(=O)C(C)C(=O)OC SC-52118 [0,2,0,0,0,0|0,1,1]=4 298 B9R0.27 COC(=O)C(F)C(=O)OC SC-03641 [0,2,0,0,0,0|0,1,1]=4 299 B9R0.27 COC(=O)C(N)C(=O)OC SC-16871 [0,2,0,0,0,0|0,1,1]=4 300 B9R0.1 COC(=O)CCCC(=O)O SC-85837 [0,2,0,0,0,0|1,0,1]=4 301 B9R0.1 COC(=O)CCC[N+](=O)[O-] SC-70223 [0,2,0,0,0,0|2,0,0]=4 302 B9R0.24 CCC(=O)CCC(=O)CC SC-89953 [0,2,0,0,0,0|2,0,0]=4 303 B9R0.24 COC(=O)CCC(=O)CN SC-01776 [0,2,0,0,0,0|1,0,0]=3 304 B9R0.24 COC(=O)CCC(=O)OC SC-78937 [0,2,0,0,0,0|0,1,0]=3 305 B9R0.46 COC(=O)CCCCC=O SC-92554 [0,2,0,0,0,0|1,0,0]=3 306 B9R0.46 COC(=O)CCCCCBr SC-02787 [0,2,0,0,0,0|1,0,0]=3 307 B9R0.46 COC(=O)CCCCCN SC-B3833 [0,2,0,0,0,0|1,0,0]=3 308 B9R0.42 COC(=O)CC(=O)C(C)C SC-27474 [0,2,0,0,0,0|1,0,1]=4 309 B9R0.42 COC(=O)CC(C)C(=O)O SC-49578 [0,2,0,0,0,0|2,0,0]=4 310 B9R0.42 COC(=O)CC(N)C(=O)O SC-34732 [0,2,0,0,0,0|2,0,0]=4 311 B9R0.42 COC(=O)C[C@H](N)C(=O)O SC-09414 [0,2,0,0,0,0|2,0,0]=4 312 B9R0.42 COC(=O)C[C@H](N)C(=O)O SC-49628 [0,2,0,0,0,0|2,0,0]=4 313 B9R0.21 COC(=O)CCS(=O)(=O)Cl SC-48401 [0,2,0,0,0,0|1,0,1]=4 314 B9R0.26 COC(=O)CC(OC)OC SC-20608 [0,2,0,0,0,0|0,1,0]=3 315 B9R0.22 COC(=O)CC(C)(C)CO SC-13986 [0,2,0,0,0,0|2,0,0]=4 316 B7R1.1 COC1=NCCC1 SC-72634 [1,0,0,1,0,0|1,0,0]=3 317 B7R1.2 CC1=CC(=O)OC1 SC-25541 [1,0,0,1,0,0|0,0,2]=4 318 B7R1.2 CC1CCC(=O)C1 SC-93748 [1,0,0,1,0,0|1,0,0]=3 319 B7R1.2 CC1CNC(=O)C1 SC-50248 [1,0,0,1,0,0|1,0,0]=3 320 B7R1.2 CC1COC(=O)C1 SC-60836 [1,0,0,1,0,0|0,0,0]=2 321 B7R1.2 CC1COC(=O)O1 SC-65189 [1,0,0,1,0,0|1,0,0]=3 322 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [1,0,0,1,0,0|1,0,0]=3 323 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [1,0,0,1,0,0|1,0,0]=3 324 B7R1.2 NC1CNC(=O)C1 SC-66063 [1,0,0,1,0,0|2,0,0]=4 325 B7R1.2 NC1COC(=O)C1 SC-34183 [1,0,0,1,0,0|1,0,0]=3 326 B7R1.2 N[C@@H]1CNC(=O)C1 SC-A4379 [1,0,0,1,0,0|2,0,0]=4 327 B7R1.2 N[C@@H]1COC(=O)C1 SC-71558 [1,0,0,1,0,0|1,0,0]=3 328 B7R1.2 O=C1CC(O)CN1 SC-29049 [1,0,0,1,0,0|1,1,0]=4 329 B7R1.2 O=C1COC(=O)C1 SC-86968 [1,0,0,1,0,0|0,1,1]=4 330 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [1,0,0,1,0,0|1,1,0]=4 331 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [1,0,0,1,0,0|1,1,0]=4 332 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [1,0,0,1,0,0|0,1,0]=3 333 B7R1.3 BrC1=CCCCC1 SC-69986 [1,0,0,1,0,0|2,0,0]=4 334 B7R1.3 CC1=CCCCC1 SC-99243 [1,0,0,1,0,0|2,0,0]=4 335 B7R1.3 C[SiH]1CCCCO1 SC-91060 [1,0,0,1,0,0|1,1,0]=4 336 B7R1.3 ClC1CCCCO1 SC-85266 [1,0,0,1,0,0|1,0,1]=4 337 B7R1.3 O=C1C=CCCO1 SC-50374 [1,0,0,1,0,0|0,0,2]=4 338 B7R1.3 O=C1CCCCN1 SC-16274 [1,0,0,1,0,0|1,0,0]=3 339 B7R1.3 O=C1CCCCO1 SC-65111 [1,0,0,1,0,0|0,0,0]=2 340 B7R1.3 O=C1CCCNC1 SC-29391 [1,0,0,1,0,0|2,0,0]=4 341 B7R1.3 O=C1CCCNC1 SC-48015 [1,0,0,1,0,0|2,0,0]=4 342 B7R1.3 O=C1CCCOC1 SC-14944 [1,0,0,1,0,0|1,1,0]=4 343 B7R1.3 O=C1CCNCC1 SC-04236 [1,0,0,1,0,0|2,0,0]=4 344 B7R1.3 O=C1CCNCC1 SC-04379 [1,0,0,1,0,0|2,0,0]=4 345 B7R1.3 O=C1CCNCC1 SC-19352 [1,0,0,1,0,0|2,0,0]=4 346 B7R1.3 O=C1CCOCC1 SC-03251 [1,0,0,1,0,0|1,1,0]=4 347 B7R1.3 O=C1CCSCC1 SC-19697 [1,0,0,1,0,0|1,0,0]=3 348 B7R1.3 O=C1CNCCN1 SC-05365 [1,0,0,1,0,0|2,0,0]=4 349 B7R1.3 O=C1CNCCO1 SC-84883 [1,0,0,1,0,0|1,0,0]=3 350 B7R1.3 O=C1COCCN1 SC-24222 [1,0,0,1,0,0|1,1,0]=4 351 B7R1.3 O=C1CSCCN1 SC-28581 [1,0,0,1,0,0|1,0,0]=3 352 B7R1.3 OC1CCCCO1 SC-84303 [1,0,0,1,0,0|0,0,2]=4 353 B7R1.4 CC1=CCCC1=O SC-15856 [1,0,0,1,0,0|1,0,1]=4 354 B7R1.4 CC1CCCC1=O SC-89605 [1,0,0,1,0,0|1,0,0]=3 355 B7R1.4 CC1CCNC1=O SC-21672 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.4 CC1CCOC1=O SC-20996 [1,0,0,1,0,0|2,0,0]=4 357 B7R1.4 CN1CCNC1=O SC-89793 [1,0,0,1,0,0|2,0,0]=4 358 B7R1.4 O=C1CCCC1Cl SC-21538 [1,0,0,1,0,0|2,0,0]=4 359 B7R1.22 COC(=O)C1CC1 SC-16131 [1,0,0,1,0,0|0,0,0]=2 360 B7R1.22 NNC(=O)C1CC1 SC-B6986 [1,0,0,1,0,0|2,0,0]=4 361 B7R1.22 O=C(CBr)C1CC1 SC-20322 [1,0,0,1,0,0|2,0,0]=4 362 B7R1.12 O=C(O)C1CC1F SC-85228 [1,0,0,1,0,0|2,0,0]=4 363 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [1,0,0,1,0,0|2,0,0]=4 364 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [1,0,0,1,0,0|2,0,0]=4 365 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [1,0,0,1,0,0|2,0,0]=4 366 B7R1.18 CC(=O)C1CCC1 SC-74316 [1,0,0,1,0,0|1,0,0]=3 367 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [1,0,0,1,0,0|2,0,0]=4 368 B7R1.18 O=C(O)C1CCC1 SC-17776 [1,0,0,1,0,0|1,0,0]=3 369 B7R1.18 O=C(O)C1CCO1 SC-22549 [1,0,0,1,0,0|2,0,0]=4 370 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [1,0,0,1,0,0|2,0,0]=4 371 B7R1.20 CC(=O)CC1CC1 SC-21396 [1,0,0,1,0,0|1,0,0]=3 372 B7R1.20 O=C(O)CC1CC1 SC-13938 [1,0,0,1,0,0|1,0,0]=3 373 B9R1.2 CCC1CC(=O)CCN1 SC-35111 [0,1,0,1,0,0|2,0,0]=4 374 B9R1.7 COCC1CNC(=O)C1 SC-48746 [0,1,0,1,0,0|1,1,0]=4 375 B9R1.8 CCOC1=CCCCC1 SC-68423 [0,1,0,1,0,0|2,0,0]=4 376 B9R1.48 O=C1CCCCC(=O)O1 SC-92931 [0,1,0,1,0,0|1,0,1]=4 377 B9R1.49 CN1CCCC(=O)CC1 SC-01972 [0,1,0,1,0,0|2,0,0]=4 378 B9R1.50 O=C1CCCCCCC1 SC-19957 [0,1,0,1,0,0|2,0,0]=4 379 B9R1.50 O=C1CCCCCCN1 SC-84294 [0,1,0,1,0,0|2,0,0]=4 380 B9R1.69 CC1CC(=O)CCN1C SC-21165 [0,1,0,1,0,0|2,0,0]=4 381 B9R1.69 CC1CN(C)CCC1=O SC-21048 [0,1,0,1,0,0|2,0,0]=4 382 B9R1.73 CCOC(=O)C1CCC1 SC-13147 [0,1,0,1,0,0|1,0,0]=3 383 B9R1.73 CCOC(=O)C1CNC1 SC-47619 [0,1,0,1,0,0|1,0,0]=3 384 B9R1.73 CCOC(=O)C1CNC1 SC-91615 [0,1,0,1,0,0|1,0,0]=3 385 B9R1.73 CCOC(=O)[C@@H]1CCN1 SC-13164 [0,1,0,1,0,0|2,0,0]=4 386 B9R1.11 COC(=O)C1=CCCC1 SC-47854 [0,1,0,1,0,0|1,0,1]=4 387 B9R1.11 COC(=O)C1CC=CC1 SC-19292 [0,1,0,1,0,0|1,0,0]=3 388 B9R1.11 COC(=O)C1CCCC1 SC-58226 [0,1,0,1,0,0|1,0,0]=3 389 B9R1.11 COC(=O)C1CCCN1 SC-01646 [0,1,0,1,0,0|1,0,0]=3 390 B9R1.11 COC(=O)C1CCCN1 SC-12256 [0,1,0,1,0,0|1,0,0]=3 391 B9R1.11 COC(=O)C1CCOC1 SC-99459 [0,1,0,1,0,0|0,1,0]=3 392 B9R1.11 COC(=O)[C@@H]1CCCN1 SC-17303 [0,1,0,1,0,0|1,0,0]=3 393 B9R1.11 COC(=O)[C@@H]1CCNC1 SC-70520 [0,1,0,1,0,0|1,0,0]=3 394 B9R1.11 COC(=O)[C@H]1CCCN1 SC-09823 [0,1,0,1,0,0|1,0,0]=3 395 B9R1.11 COC(=O)[C@H]1CCCN1 SC-50892 [0,1,0,1,0,0|1,0,0]=3 396 B9R1.82 C=C1CC(C(=O)OC)C1 SC-48884 [0,1,0,1,0,0|1,0,0]=3 397 B9R1.82 COC(=O)C1CC(=O)C1 SC-21555 [0,1,0,1,0,0|1,0,0]=3 398 B9R1.82 COC(=O)C1CC(Cl)C1 SC-B8557 [0,1,0,1,0,0|1,0,0]=3 399 B9R1.82 COC(=O)C1CC(O)C1 SC-53013 [0,1,0,1,0,0|1,0,0]=3 400 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SC-99994 [0,1,0,1,0,0|1,0,0]=3 401 B9R1.186 COC(=O)C1(C)CNC1 SC-B8359 [0,1,0,1,0,0|1,0,0]=3 402 B9R1.186 COC(=O)C1(N)CCC1 SC-83956 [0,1,0,1,0,0|1,0,0]=3 403 B9R1.186 COC(=O)C1(N)COC1 SC-B7558 [0,1,0,1,0,0|0,1,0]=3 404 B9R1.1 CNC1CCC(=O)CC1 SC-92932 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.1 COC1CCC(=O)CC1 SC-51182 [0,1,0,1,0,0|1,1,0]=4 406 B9R1.1 NCC1CCC(=O)NC1 SC-A2876 [0,1,0,1,0,0|2,0,0]=4 407 B9R1.1 O=C1CCC(CO)CC1 SC-66212 [0,1,0,1,0,0|2,0,0]=4 408 B9R1.35 [C@@H]1(C(C)C)COC(=O)N1 SC-07436 [0,1,0,1,0,0|2,0,0]=4 409 B9R1.35 [C@H]1(C(C)C)COC(=O)N1 SC-01650 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.10 CC1(C)CCC(=O)CC1 SC-20004 [0,1,0,1,0,0|2,0,0]=4 411 B9R2.39 O=C1CC2CCC1C2 SC-50094 [0,0,0,2,0,0|2,0,0]=4