0 B5R0.1 BrCCC(Br)Br AT23421 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.1 CNC[C@H](C)O C77457 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.1 C[C@H](F)CCN D76461 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.1 C[C@H](N)CCF AT11794 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 C[C@H](O)CCN D77178 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.1 C[S@](=O)CCN AT24515 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.1 FC(F)CCBr AT23420 [0,0,0,0,0,0|4,0,0]=4 7 B4R0.1 CN(N)C=O D74578 [1,0,0,0,0,0|1,0,2]=4 8 B4R0.1 NC(=S)CO D75093 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 [2H][C@@H](C)CO D98056 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.2 NOCCF AT14503 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.1 CCC[C@H](N)CF AC5307 [0,1,0,0,0,0|3,0,0]=4 12 B6R0.1 CCC[C@H](N)CF AC7092 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.1 CC[C@H](N)CCO AT14304 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.1 CC[C@H](N)CCO AT22343 [0,1,0,0,0,0|2,0,0]=3 15 B6R0.1 CC[C@H](N)CCO AT22346 [0,1,0,0,0,0|2,0,0]=3 16 B6R0.1 N[C@H](CF)CCO AT24448 [0,1,0,0,0,0|2,0,0]=3 17 B6R0.1 N[C@H](CO)CCF E72842 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.1 N[C@H](CO)CCO D75100 [0,1,0,0,0,0|2,0,0]=3 19 B6R0.1 OCC[C@H](O)CCl AT21895 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.2 CC(N)CC(C)O AT23544 [0,1,0,0,0,0|2,0,0]=3 21 B6R0.2 C[C@H](N)CN(C)C AT11416 [0,1,0,0,0,0|1,0,0]=2 22 B6R0.3 CC(C)[C@@H](F)CO AT16234 [0,1,0,0,0,0|1,0,0]=2 23 B6R0.3 CC(C)[C@@H](N)CF AC4773 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.3 CC(C)[C@@H](N)CF AC5313 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.3 CC(C)[C@@H](N)CF AC7091 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.3 CC(C)[C@@H](N)CO AT21568 [0,1,0,0,0,0|1,0,0]=2 27 B6R0.3 N[C@@H](CO)C(F)F 92934 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.3 N[C@@H](CO)C(F)F 92936 [0,1,0,0,0,0|3,0,0]=4 29 B6R0.3 N[C@@H](CO)C(F)F C93218 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.3 N[C@@H](CO)C(F)F C93220 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.3 OC[C@H](O)C(F)F AT21961 [0,1,0,0,0,0|3,0,0]=4 32 B6R0.4 CC(=O)CCCN C77428 [0,1,0,0,0,0|3,0,0]=4 33 B6R0.4 OCCOC(F)F 89958 [0,1,0,0,0,0|3,0,0]=4 34 B6R0.5 C#CCC(C)(C)C AT23213 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.5 CC(C)(F)CCN P14068 [0,1,0,0,0,0|2,0,0]=3 36 B6R0.5 CC(C)(F)CCO AT22034 [0,1,0,0,0,0|1,0,0]=2 37 B6R0.5 CC(C)(O)CCCl D86387 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.5 CC(C)(O)CON D75282 [0,1,0,0,0,0|3,0,0]=4 39 B6R0.5 CC(F)(F)CCBr E73229 [0,1,0,0,0,0|3,0,0]=4 40 B6R0.5 C[N+](C)(C)CC=O C77425 [0,1,0,0,0,0|0,0,3]=4 41 B6R0.5 C[Si](C)(C)OCCl AC9008 [0,1,0,0,0,0|3,0,0]=4 42 B6R1.2 Br[C@H]1CCNC1 D87521 [0,0,0,1,0,0|3,0,0]=4 43 B6R1.2 CC1=NNCC1 D76466 [0,0,0,1,0,0|3,0,0]=4 44 B6R1.2 CN1CC=CC1 A10777 [0,0,0,1,0,0|1,0,1]=3 45 B6R1.3 NCCN1CC1 P18027 [0,0,0,1,0,0|1,0,0]=2 46 B6R1.3 OCC[C@H]1CO1 D72936 [0,0,0,1,0,0|2,0,0]=3 47 B6R1.3 OCC[C@H]1CO1 D74321 [0,0,0,1,0,0|2,0,0]=3 48 B6R1.5 C[C@H]1C[C@@H](O)C1 P20283 [0,0,0,1,0,0|1,0,0]=2 49 B6R1.5 NC1CC(N)C1 AT13082 [0,0,0,1,0,0|3,0,0]=4 50 B6R1.5 N[C@H]1C[C@@H](N)C1 P12910 [0,0,0,1,0,0|3,0,0]=4 51 B6R1.5 OC1CC(Br)C1 AT17315 [0,0,0,1,0,0|2,0,0]=3 52 B6R1.5 O[C@H]1C[C@@H](Br)C1 AT12399 [0,0,0,1,0,0|2,0,0]=3 53 B6R1.5 O[C@H]1C[C@@H](F)C1 P12413 [0,0,0,1,0,0|2,0,0]=3 54 B6R1.5 O[C@H]1C[C@H](Cl)C1 AT13084 [0,0,0,1,0,0|2,0,0]=3 55 B6R1.8 CC1CC1CN E73335 [0,0,0,1,0,0|2,0,0]=3 56 B6R1.8 C[C@H]1C[C@@H]1C=O AT23548 [0,0,0,1,0,0|1,0,2]=4 57 B6R1.8 C[C@H]1C[C@@H]1CBr 55227 [0,0,0,1,0,0|2,0,0]=3 58 B6R1.8 C[C@H]1C[C@@H]1CBr AT23414 [0,0,0,1,0,0|2,0,0]=3 59 B6R1.8 C[C@H]1C[C@@H]1CBr AT23416 [0,0,0,1,0,0|2,0,0]=3 60 B6R1.8 C[C@H]1C[C@@H]1CN 73150 [0,0,0,1,0,0|2,0,0]=3 61 B6R1.8 C[C@H]1C[C@@H]1CO AT23417 [0,0,0,1,0,0|1,0,0]=2 62 B6R1.8 C[C@H]1C[C@@H]1CO AT23419 [0,0,0,1,0,0|1,0,0]=2 63 B6R1.8 NC1CC1CF AT23905 [0,0,0,1,0,0|3,0,0]=4 64 B6R1.8 N[C@H]1C[C@@H]1CF AT13342 [0,0,0,1,0,0|3,0,0]=4 65 B6R1.8 N[C@H]1C[C@@H]1CF AT23917 [0,0,0,1,0,0|3,0,0]=4 66 B6R1.8 N[C@H]1C[C@@H]1CO AT13340 [0,0,0,1,0,0|2,0,0]=3 67 B6R1.8 N[C@H]1C[C@H]1CF AT23916 [0,0,0,1,0,0|3,0,0]=4 68 B6R1.8 N[C@H]1C[C@H]1CO AT12843 [0,0,0,1,0,0|2,0,0]=3 69 B6R1.8 OCC1CC1Cl AT20161 [0,0,0,1,0,0|2,0,0]=3 70 B6R1.8 OC[C@@H]1C[C@@H]1F 97730 [0,0,0,1,0,0|2,0,0]=3 71 B6R1.8 OC[C@@H]1C[C@@H]1F CS3456 [0,0,0,1,0,0|2,0,0]=3 72 B6R1.8 OC[C@@H]1C[C@@H]1F CS3462 [0,0,0,1,0,0|2,0,0]=3 73 B6R1.8 OC[C@H]1C[C@@H]1F CS3465 [0,0,0,1,0,0|2,0,0]=3 74 B6R1.9 CC1(C)C[C@@H]1O P19509 [0,0,0,1,0,0|1,0,0]=2 75 B6R1.9 O[C@H]1CC1(F)F F17971 [0,0,0,1,0,0|3,0,0]=4 76 B6R1.10 CC1(C)CCN1 AT11216 [0,0,0,1,0,0|2,0,0]=3 77 B6R1.11 CC(C)[C@@H]1CO1 AT11291 [0,0,0,1,0,0|1,0,0]=2 78 B6R1.11 CC(C)[C@@H]1CO1 AT11292 [0,0,0,1,0,0|1,0,0]=2 79 B3R0.1 N[13CH2][13CH2]N D98346 [2,0,0,0,0,0|1,0,0]=3 80 B3R0.1 [2H]CCI D99684 [2,0,0,0,0,0|2,0,0]=4 81 B3R0.1 [2H]CCO D98012 [2,0,0,0,0,0|1,0,0]=3 82 B3R0.2 [13CH3][13C](=O)O 41419 [2,0,0,0,0,0|2,0,0]=4 83 B5R0.3 CC[C@H](F)CN D76437 [1,1,0,0,0,0|2,0,0]=4 84 B5R0.3 CC[C@H](N)CF AC5314 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.3 CC[C@H](O)CN D72871 [1,1,0,0,0,0|2,0,0]=4 86 B5R0.3 C[C@@H](CN)CO 70250 [1,1,0,0,0,0|1,0,0]=3 87 B5R0.3 NC[C@H](F)CO AT21905 [1,1,0,0,0,0|2,0,0]=4 88 B5R0.3 NC[C@H](N)CO D75091 [1,1,0,0,0,0|2,0,0]=4 89 B5R0.3 NC[C@H](N)CO D75092 [1,1,0,0,0,0|2,0,0]=4 90 B5R0.3 N[C@@H](CO)CF D75094 [1,1,0,0,0,0|2,0,0]=4 91 B5R0.3 O=C(CO)CBr AC6051 [1,1,0,0,0,0|2,0,0]=4 92 B5R0.3 OC[C@H](O)CF AT22386 [1,1,0,0,0,0|2,0,0]=4 93 B5R0.4 CC(C)(F)CN F53132 [1,1,0,0,0,0|2,0,0]=4 94 B5R0.5 CC(=O)[C@H](C)N 91521 [1,1,0,0,0,0|2,0,0]=4 95 B5R0.5 CC(C)[C@H](C)N AC5874 [1,1,0,0,0,0|1,0,0]=3 96 B5R0.5 C[C@H](O)[C@@H](C)N E72739 [1,1,0,0,0,0|2,0,0]=4 97 B5R0.2 C#CCNOC AT24887 [1,1,0,0,0,0|1,0,1]=4 98 B5R0.2 C=CCNOC AT24925 [1,1,0,0,0,0|1,0,1]=4 99 B5R0.2 CCNCCS AT25561 [1,1,0,0,0,0|0,1,0]=3 100 B5R0.2 CNCCCF AT22549 [1,1,0,0,0,0|1,0,0]=3 101 B5R0.2 CSSCCN AT25568 [1,1,0,0,0,0|2,0,0]=4 102 B5R0.2 NCCCCF D75976 [1,1,0,0,0,0|2,0,0]=4 103 B5R0.2 NCCCCS AT25915 [1,1,0,0,0,0|1,1,0]=4 104 B5R0.2 [C-]#[N+]CCSC AT25542 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.2 CC(C)C[C@H](N)CF AC4927 [0,2,0,0,0,0|2,0,0]=4 106 B7R0.2 CN[C@@H](C)CC(=O)O D72538 [0,2,0,0,0,0|1,0,1]=4 107 B7R0.3 C[C@H](CN)CCCO AC9867 [0,2,0,0,0,0|1,0,0]=3 108 B7R0.3 C\C=C(/C)CCCC T72329 [0,2,0,0,0,0|2,0,0]=4 109 B7R0.3 O=C(CO)NCCO D86391 [0,2,0,0,0,0|2,0,0]=4 110 B7R0.5 N[C@@H](CCO)C(F)F AT24425 [0,2,0,0,0,0|2,0,0]=4 111 B7R0.10 CON(C)C(=O)CF 78564 [0,2,0,0,0,0|1,0,1]=4 112 B7R0.11 CC(C)(CO)CCN AT20761 [0,2,0,0,0,0|2,0,0]=4 113 B7R0.11 CCCC(C)(C)CO A10859 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.11 OCCC(F)(F)CO AT12562 [0,2,0,0,0,0|2,0,0]=4 115 B7R0.9 CN(N)CC(F)(F)F E73002 [0,2,0,0,0,0|2,0,0]=4 116 B7R0.9 CP(C)(=O)CC(=O)O D76431 [0,2,0,0,0,0|0,1,1]=4 117 B7R0.14 CC(C)(O)[C@@H](F)CN AT19907 [0,2,0,0,0,0|2,0,0]=4 118 B7R0.6 C[C@H](N)CCC(=O)O D75535 [0,2,0,0,0,0|2,0,0]=4 119 B7R0.8 CC(C)(Cl)CCCCl D86383 [0,2,0,0,0,0|2,0,0]=4 120 B7R0.8 CP(C)(=O)CCCN AT13346 [0,2,0,0,0,0|1,1,0]=4 121 B7R0.8 CP(C)(=O)CCCN AT13377 [0,2,0,0,0,0|1,1,0]=4 122 B7R0.8 CS(C)(=O)=NCCN AT25739 [0,2,0,0,0,0|2,0,0]=4 123 B5R1.2 C[C@H]1CCN1 S11047 [1,0,0,1,0,0|2,0,0]=4 124 B5R1.2 SC1CCC1 AT12396 [1,0,0,1,0,0|2,0,0]=4 125 B5R1.4 CC1CC1Br AT22556 [1,0,0,1,0,0|2,0,0]=4 126 B5R1.4 C[C@@H]1C[C@@H]1N AT26073 [1,0,0,1,0,0|2,0,0]=4 127 B5R1.4 C[C@H]1C[C@@H]1N AT11455 [1,0,0,1,0,0|2,0,0]=4 128 B5R1.4 C[C@H]1C[C@@H]1N AT11456 [1,0,0,1,0,0|2,0,0]=4 129 B5R1.4 NC1CC1O 92033 [1,0,0,1,0,0|2,0,0]=4 130 B5R1.5 CC1(Br)CC1 P15914 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.1 C#C[C@H]1CCOC1 AT10097 [0,1,0,1,0,0|1,0,1]=4 132 B7R1.1 C#C[C@H]1CCOC1 AT10098 [0,1,0,1,0,0|1,0,1]=4 133 B7R1.1 C=CN1CCCC1 C11100 [0,1,0,1,0,0|1,0,1]=4 134 B7R1.1 FC[C@H]1CCNC1 AT23179 [0,1,0,1,0,0|2,0,0]=4 135 B7R1.1 NO[C@H]1CCOC1 97657 [0,1,0,1,0,0|2,0,0]=4 136 B7R1.1 O=C[C@H]1CCOC1 58457 [0,1,0,1,0,0|1,0,1]=4 137 B7R1.1 O=C[C@H]1CCOC1 58458 [0,1,0,1,0,0|1,0,1]=4 138 B7R1.1 OCC1=NOCC1 92945 [0,1,0,1,0,0|2,0,0]=4 139 B7R1.1 OC[C@H]1CCON1 AT14857 [0,1,0,1,0,0|2,0,0]=4 140 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13012 [0,1,0,1,0,0|1,0,0]=3 141 B7R1.2 C[C@H]1C[C@@H](C)CN1 87739 [0,1,0,1,0,0|2,0,0]=4 142 B7R1.2 C[C@H]1C[C@@H](C)CN1 87744 [0,1,0,1,0,0|2,0,0]=4 143 B7R1.2 C[C@H]1C[C@H](O)CN1 F13847 [0,1,0,1,0,0|1,0,0]=3 144 B7R1.3 C[C@H]1CNCCS1 AT10752 [0,1,0,1,0,0|2,0,0]=4 145 B7R1.3 C[C@H]1CSCCN1 AT10757 [0,1,0,1,0,0|1,1,0]=4 146 B7R1.4 CC1CNCC1N AT23640 [0,1,0,1,0,0|2,0,0]=4 147 B7R1.4 C[C@@H]1COC[C@@H]1O 73075 [0,1,0,1,0,0|1,0,0]=3 148 B7R1.4 C[C@H]1CNC[C@@H]1N AT23637 [0,1,0,1,0,0|2,0,0]=4 149 B7R1.4 C[C@H]1CNC[C@@H]1N AT23638 [0,1,0,1,0,0|2,0,0]=4 150 B7R1.4 C[C@H]1CNC[C@@H]1N AT23639 [0,1,0,1,0,0|2,0,0]=4 151 B7R1.4 C[C@H]1CNC[C@@H]1O P12669 [0,1,0,1,0,0|2,0,0]=4 152 B7R1.4 C[C@H]1COC[C@@H]1N D72913 [0,1,0,1,0,0|1,0,0]=3 153 B7R1.4 NC1COCC1F E72312 [0,1,0,1,0,0|2,0,0]=4 154 B7R1.4 N[C@@H]1COC[C@@H]1F D72819 [0,1,0,1,0,0|2,0,0]=4 155 B7R1.4 N[C@H]1COC[C@@H]1O AT26726 [0,1,0,1,0,0|2,0,0]=4 156 B7R1.5 CCC[C@@H]1ON1C C11697 [0,1,0,1,0,0|2,0,0]=4 157 B7R1.6 NCCC1CNC1 AC9109 [0,1,0,1,0,0|2,0,0]=4 158 B7R1.8 OC[C@@H]1CC[C@@H]1O P19439 [0,1,0,1,0,0|2,0,0]=4 159 B7R1.9 C#CC1CC1CO 70206 [0,1,0,1,0,0|1,0,1]=4 160 B7R1.9 NC[C@H]1C[C@@H]1CO AT20739 [0,1,0,1,0,0|1,0,0]=3 161 B7R1.9 OC[C@H]1C[C@@H]1CO AT12393 [0,1,0,1,0,0|1,0,0]=3 162 B7R1.10 CC1CC(CBr)C1 57439 [0,1,0,1,0,0|2,0,0]=4 163 B7R1.10 CC1CC(CO)C1 57437 [0,1,0,1,0,0|1,0,0]=3 164 B7R1.10 CN[C@H]1C[C@H](O)C1 P15672 [0,1,0,1,0,0|1,0,0]=3 165 B7R1.10 CO[C@H]1C[C@@H](N)C1 P15668 [0,1,0,1,0,0|2,0,0]=4 166 B7R1.10 CO[C@H]1C[C@H](N)C1 P12378 [0,1,0,1,0,0|2,0,0]=4 167 B7R1.10 CSC1CC(O)C1 AT20178 [0,1,0,1,0,0|1,0,0]=3 168 B7R1.10 CS[C@H]1C[C@@H](O)C1 AT20156 [0,1,0,1,0,0|1,0,0]=3 169 B7R1.10 CS[C@H]1C[C@H](N)C1 AT20163 [0,1,0,1,0,0|2,0,0]=4 170 B7R1.10 NC1CC(CO)C1 P10843 [0,1,0,1,0,0|2,0,0]=4 171 B7R1.10 OC[C@H]1C[C@H](F)C1 AT26788 [0,1,0,1,0,0|2,0,0]=4 172 B7R1.21 NC1(CCO)CC1 P12555 [0,1,0,1,0,0|1,0,0]=3 173 B7R1.21 NCCC1(O)CC1 AT11469 [0,1,0,1,0,0|2,0,0]=4 174 B7R1.22 OC[C@H](F)C1CC1 P14038 [0,1,0,1,0,0|1,0,0]=3 175 B7R1.25 CC1(CN)CCC1 P11843 [0,1,0,1,0,0|2,0,0]=4 176 B7R1.25 C[C@]1(CO)CCN1 P12582 [0,1,0,1,0,0|2,0,0]=4 177 B7R1.27 CC[C@]1(C)ON1C C11698 [0,1,0,1,0,0|2,0,0]=4 178 B7R1.27 CO[C@@]1(C)C[C@H]1N AT11449 [0,1,0,1,0,0|2,0,0]=4 179 B7R1.12 CC1CC1B(O)O AT22555 [0,1,0,1,0,0|2,0,0]=4 180 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12316 [0,1,0,1,0,0|1,0,1]=4 181 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12373 [0,1,0,1,0,0|1,0,1]=4 182 B7R1.16 CC1(F)CC(N)C1 P14355 [0,1,0,1,0,0|2,0,0]=4 183 B7R1.16 CC1(O)CC(=O)C1 AT22537 [0,1,0,1,0,0|2,0,0]=4 184 B7R1.16 CC1(O)CC(O)C1 AT22536 [0,1,0,1,0,0|1,0,0]=3 185 B7R1.16 CN1CC(C)(N)C1 AT13379 [0,1,0,1,0,0|1,0,0]=3 186 B7R1.16 C[C@H]1CC(C)(C)N1 D86024 [0,1,0,1,0,0|2,0,0]=4 187 B7R1.16 C[C@]1(O)C[C@H](N)C1 P13186 [0,1,0,1,0,0|2,0,0]=4 188 B7R1.17 CC1(C)CCC1=O P17178 [0,1,0,1,0,0|1,0,1]=4 189 B7R1.17 CC1(C)NC[C@@H]1F AT24724 [0,1,0,1,0,0|2,0,0]=4 190 B7R1.17 CC1(C)NC[C@@H]1N P12469 [0,1,0,1,0,0|2,0,0]=4 191 B7R1.17 CC1(C)NC[C@@H]1N P19365 [0,1,0,1,0,0|2,0,0]=4 192 B7R1.17 CC1(C)OCC1=O P17179 [0,1,0,1,0,0|1,0,1]=4 193 B7R1.17 CC1(C)SC[C@@H]1N E72936 [0,1,0,1,0,0|1,1,0]=4 194 B7R1.18 C[C@H](N)C1COC1 79834 [0,1,0,1,0,0|2,0,0]=4 195 B7R1.18 C[C@H](N)C1COC1 79837 [0,1,0,1,0,0|2,0,0]=4 196 B7R1.23 CC1(C)O[C@H]1CBr AC8137 [0,1,0,1,0,0|2,0,0]=4 197 B7R1.7 OCCOC1CC1 AT11518 [0,1,0,1,0,0|1,0,0]=3 198 B7R1.14 CC1(C)C=CCC1 AC8462 [0,1,0,1,0,0|2,0,0]=4 199 B7R1.14 C[C@]1(F)CCNC1 P12925 [0,1,0,1,0,0|2,0,0]=4 200 B7R1.14 C[C@]1(N)CCNC1 F13099 [0,1,0,1,0,0|2,0,0]=4 201 B7R1.14 C[C@]1(N)CCNC1 F14416 [0,1,0,1,0,0|2,0,0]=4 202 B7R2.11 C1NC2CC1C2 P12110 [0,0,0,2,0,0|2,0,0]=4 203 B7R2.13 C1C[C@@H]2C[C@@H]2N1 D72941 [0,0,0,2,0,0|2,0,0]=4 204 B7R2.13 C1C[C@@H]2C[C@@H]2N1 D75836 [0,0,0,2,0,0|2,0,0]=4 205 B7R2.3 N[C@H]1CC12CC2 AT11454 [0,0,0,2,0,0|2,0,0]=4 206 B7R2.16 C1CC2(CC2)N1 AT24287 [0,0,0,2,0,0|2,0,0]=4 207 B7R2.5 BrC12CC(C1)C2 H11101 [0,0,0,2,0,0|2,0,0]=4 208 B7R2.5 OC12CC(C1)C2 P20399 [0,0,0,2,0,0|1,0,0]=3 209 B7R2.5 SC12CC(C1)C2 AT13937 [0,0,0,2,0,0|1,1,0]=4