0 B11R0.3 C#CCCCC#CCCCCO S303461 [0,0,0,0,0,0|0,0,4]=4 1 B11R0.3 C=CCCC/C=C/CCCCO S303453 [0,0,0,0,0,0|0,0,4]=4 2 B11R0.3 CC/C=C/CCCCCCCC PH003558 [0,0,0,0,0,0|1,0,2]=3 3 B11R0.3 CCCCCCCCC#CCBr PH009442 [0,0,0,0,0,0|1,0,2]=3 4 B11R0.3 CCCCCCCCCCC#N R750212 [0,0,0,0,0,0|1,0,1]=2 5 B11R0.3 CCCCCCCCCCSC S540161 [0,0,0,0,0,0|2,0,0]=2 6 B11R0.3 CCCCCCCCCC[Hg]Cl S572586 [0,0,0,0,0,0|2,0,0]=2 7 B11R0.3 CCCCCCCCCSCC S547158 [0,0,0,0,0,0|2,0,0]=2 8 B11R0.3 CCCCCCCCNCCN PH000414 [0,0,0,0,0,0|2,0,0]=2 9 B11R0.3 CCCCCCCCNCCN S235881 [0,0,0,0,0,0|2,0,0]=2 10 B11R0.3 CCCCCCCCNCCS PH012947 [0,0,0,0,0,0|1,1,0]=2 11 B11R0.3 CCCCCSSCCCCC CDS000577 [0,0,0,0,0,0|3,0,0]=3 12 B11R0.3 CCCSCCCCSCCC S347868 [0,0,0,0,0,0|3,0,0]=3 13 B11R0.3 COCCCCCCCCOC S344400 [0,0,0,0,0,0|3,0,0]=3 14 B10R0.71 C#CCCCCCCCCC CDS001229 [1,0,0,0,0,0|0,0,2]=3 15 B10R0.71 CCCCCCCCCCF S570354 [1,0,0,0,0,0|1,0,0]=2 16 B10R0.71 CCCCCCCCN=C=S CDS013725 [1,0,0,0,0,0|1,1,1]=4 17 B10R0.71 CCCCCCCCSCC S570656 [1,0,0,0,0,0|1,0,0]=2 18 B10R0.71 CCCCCCCSCCO S362220 [1,0,0,0,0,0|1,0,0]=2 19 B10R0.71 CCCCCCNCCCC OTV000454 [1,0,0,0,0,0|1,0,0]=2 20 B10R0.71 CCCCCCOCCCN S392022 [1,0,0,0,0,0|2,0,0]=3 21 B10R0.71 CCCCCNCCCCC S503770 [1,0,0,0,0,0|1,0,0]=2 22 B10R0.71 CCOCCNCCOCC CDS000629 [1,0,0,0,0,0|3,0,0]=4 23 B10R0.71 COCCCCCCCCN PH012543 [1,0,0,0,0,0|2,0,0]=3 24 B10R0.71 ICCCCCCCCCI S764507 [1,0,0,0,0,0|2,0,0]=3 25 B10R0.71 NCCCOCCOCCO PH002424 [1,0,0,0,0,0|3,0,0]=4 26 B10R0.71 [NH2+](CCCCl)CCCCCC R738158 [1,0,0,0,0,0|2,0,0]=3 27 B12R0.5 CCCCCCCCCCCCN S825913 [0,1,0,0,0,0|1,0,0]=2 28 B12R0.5 CCCCCCCCCCCCN S825956 [0,1,0,0,0,0|1,0,0]=2 29 B12R0.5 CCCCCCCCCCCCN S826987 [0,1,0,0,0,0|1,0,0]=2 30 B12R0.5 CCCCCCCCCCSC#N S345245 [0,1,0,0,0,0|1,0,1]=3 31 B12R0.5 CCCCCCCCCCSCC S546925 [0,1,0,0,0,0|1,0,0]=2 32 B12R0.5 CCCCCCCCNCCCN PH000443 [0,1,0,0,0,0|1,0,0]=2 33 B12R0.5 CCCCCCCCSCCC#N S236233 [0,1,0,0,0,0|1,0,1]=3 34 B12R0.5 CCCCCCNCCCCCC S563226 [0,1,0,0,0,0|1,0,0]=2 35 B12R0.5 ICCCCCCCCCCCI S764493 [0,1,0,0,0,0|1,0,0]=2 36 B12R0.5 NCCCCCCCCCCCN CDS000080 [0,1,0,0,0,0|1,0,0]=2 37 B12R0.5 NCCOCCOCCOCCO CDS020855 [0,1,0,0,0,0|3,0,0]=4 38 B12R0.47 CCCCOCC(O)CNCCN PH007014 [0,1,0,0,0,0|3,0,0]=4 39 B12R0.206 CCCCCCCC(C)NCCO S540285 [0,1,0,0,0,0|1,0,0]=2 40 B12R0.234 CC(=O)NCCCCCCCCN S233641 [0,1,0,0,0,0|2,0,1]=4 41 B12R0.234 CCCCCCCCCCC(=N)N PH012196 [0,1,0,0,0,0|1,0,1]=3 42 B12R0.234 CCCCCCCCCNC(=S)N PH008429 [0,1,0,0,0,0|1,1,1]=4 43 B12R0.234 CCCCCCCCCOC(=O)C S364258 [0,1,0,0,0,0|1,0,2]=4 44 B12R0.234 CCCCCCCCCSC(=N)N PH011951 [0,1,0,0,0,0|2,0,1]=4 45 B12R0.234 CCCCCCCCNCC(=O)N PH010602 [0,1,0,0,0,0|1,0,2]=4 46 B12R0.234 CCCCCCCCOCC(=O)O PH010016 [0,1,0,0,0,0|1,0,1]=3 47 B12R0.234 N#CCCCCCCCCC(=O)O S367591 [0,1,0,0,0,0|1,0,2]=4 48 B12R0.248 CCCCCCCCCC(=O)CC CDS000235 [0,1,0,0,0,0|1,0,1]=3 49 B12R0.248 CCCCCCCCCC(=O)NN S550280 [0,1,0,0,0,0|2,0,1]=4 50 B12R0.248 CCCCCCCCCC([NH3+])CO L498637 [0,1,0,0,0,0|0,0,0]=1 51 B12R0.248 CCCCCCCCNC(=O)CCl S376833 [0,1,0,0,0,0|2,0,1]=4 52 B12R0.248 CCCCCCCCOC(=O)CCl S530727 [0,1,0,0,0,0|2,0,1]=4 53 B12R0.248 COC(=O)CCCCCCCCI T266353 [0,1,0,0,0,0|2,0,1]=4 54 B12R0.248 OCCCCCCCCC(O)CO CDS000271 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.8 C(=O)OCCCC1CCCCO1 T177490 [0,0,0,1,0,0|2,0,1]=4 56 B12R1.8 CCCCCCC1=NCCCS1 PH000572 [0,0,0,1,0,0|1,1,1]=4 57 B12R1.8 CCCCCCC1CCCCC1 S415766 [0,0,0,1,0,0|1,0,0]=2 58 B12R1.8 CCCCCCC1CCNCC1 PH013358 [0,0,0,1,0,0|2,0,0]=3 59 B12R1.8 CCCCSCN1CCCCC1 S506508 [0,0,0,1,0,0|3,0,0]=4 60 B12R1.8 ClCCCCOC1CCCCO1 PH000153 [0,0,0,1,0,0|2,0,0]=3 61 B12R1.8 N#CCCCCN1CCCCC1 S449776 [0,0,0,1,0,0|2,0,1]=4 62 B12R1.8 N#CCCCOC1CCCCO1 PH008808 [0,0,0,1,0,0|2,0,1]=4 63 B12R1.8 NCCCCCN1CCCCC1 OTV000941 [0,0,0,1,0,0|2,0,0]=3 64 B12R1.8 NCCCCCN1CCOCC1 CBR00637 [0,0,0,1,0,0|3,0,0]=4 65 B12R1.8 OCCCCOC1CCCCO1 T244813 [0,0,0,1,0,0|2,0,0]=3 66 B12R1.37 C(=O)OCCCCC1CCCO1 T177369 [0,0,0,1,0,0|2,0,1]=4 67 B12R1.37 CCCCCCCC1=NCCS1 PH008234 [0,0,0,1,0,0|1,1,1]=4 68 B12R1.121 CCC1CCCCN1CCCN PH015340 [0,0,0,1,0,0|2,0,0]=3 69 B12R1.150 O=C1CCCCCCCCC1O S116742 [0,0,0,1,0,0|1,0,1]=3 70 B12R1.169 CCCC1CCCCC1OCC T183857 [0,0,0,1,0,0|2,0,0]=3 71 B12R1.267 COCCN[C@@H]1CCCC[C@H]1O PH016400 [0,0,0,1,0,0|2,0,0]=3 72 B12R1.267 COCCN[C@@H]1CCCC[C@H]1O PH016529 [0,0,0,1,0,0|2,0,0]=3 73 B12R1.329 CCCCB1OCCNCCO1 R823899 [0,0,0,1,0,0|3,0,0]=4 74 B12R1.329 SCCNC1CCCCCCC1 PH012912 [0,0,0,1,0,0|1,1,0]=3 75 B12R1.410 CCC1CCCCCCCCC1 T168122 [0,0,0,1,0,0|1,0,0]=2 76 B12R1.550 C1CCCCCCCCCCC1 S436402 [0,0,0,1,0,0|1,0,0]=2 77 B12R1.1414 CNCCCN1CCCCCC1 PH014363 [0,0,0,1,0,0|3,0,0]=4 78 B12R1.1414 N#CCCCN1CCCCCC1 S373508 [0,0,0,1,0,0|2,0,1]=4 79 B12R1.1414 NCCCCN1CCCCCC1 CBR02326 [0,0,0,1,0,0|2,0,0]=3 80 B9R0.45 CCCCCCCCNC CDS003222 [2,0,0,0,0,0|1,0,0]=3 81 B9R0.45 CCCCCCCCON PH014161 [2,0,0,0,0,0|2,0,0]=4 82 B9R0.45 CCCCCCCC[Hg]Cl S572551 [2,0,0,0,0,0|2,0,0]=4 83 B9R0.45 CCCCCCSCCO S362344 [2,0,0,0,0,0|1,0,0]=3 84 B9R0.45 CCCCCNCCCC OTV000733 [2,0,0,0,0,0|1,0,0]=3 85 B9R0.45 CCCCNCCCCO PH011467 [2,0,0,0,0,0|1,0,0]=3 86 B9R0.45 CCCSCCSCCC S347841 [2,0,0,0,0,0|2,0,0]=4 87 B9R0.45 CCSCCCCSCC S347833 [2,0,0,0,0,0|2,0,0]=4 88 B9R0.45 CSCCCCCCSC S347825 [2,0,0,0,0,0|2,0,0]=4 89 B11R0.4 CCCCCCCC(=O)CCC CDS001481 [1,1,0,0,0,0|0,0,1]=3 90 B11R0.4 CCOC(=O)CCCCCCO R174513 [1,1,0,0,0,0|1,0,1]=4 91 B11R0.40 CCCCCCCCC(O)C#N PH007041 [1,1,0,0,0,0|1,0,1]=4 92 B11R0.40 CCCCCCCCC([NH3+])CO L498629 [1,1,0,0,0,0|0,0,0]=2 93 B11R0.81 CCCCCCC(C)NCCO CDS003690 [1,1,0,0,0,0|1,0,0]=3 94 B11R0.140 CCCCC[Sn](=O)CCCCC S395854 [1,1,0,0,0,0|1,0,0]=3 95 B11R0.148 CCCCCCCCC=C(C)C T293466 [1,1,0,0,0,0|0,0,2]=4 96 B11R0.148 CCCCCCCCCC(=N)N PH012191 [1,1,0,0,0,0|1,0,1]=4 97 B11R0.148 CCCCCCCCCC(=O)N S549878 [1,1,0,0,0,0|0,0,2]=4 98 B11R0.148 CCCCCCCCCC(C)Br S452572 [1,1,0,0,0,0|0,0,0]=2 99 B11R0.148 CCCCCCCCCC(C)N S540293 [1,1,0,0,0,0|0,0,0]=2 100 B11R0.148 O=C(O)CCCCCCCCBr T333328 [1,1,0,0,0,0|1,0,1]=4 101 B11R0.148 O=C(O)CCCCCCCCO CDS018651 [1,1,0,0,0,0|1,0,1]=4 102 B13R0.2 CCCCCCCCCC(=O)CCC CDS000692 [0,2,0,0,0,0|1,0,0]=3 103 B13R0.1338 CCCCCCCCS(=O)(=O)CCCl R397342 [0,2,0,0,0,0|2,0,0]=4 104 B13R0.1338 CCCCCCCCS(=O)(=O)CCN R395757 [0,2,0,0,0,0|2,0,0]=4 105 B13R0.54 CCCCCCCCCCOC(=O)C S359947 [0,2,0,0,0,0|0,0,2]=4 106 B13R0.54 CCCCCCCCCNCC(=O)O PH014167 [0,2,0,0,0,0|0,0,1]=3 107 B13R0.54 CCCCCCCCOCCC(=O)O S530719 [0,2,0,0,0,0|0,0,1]=3 108 B13R0.54 CCCCCCCCSCCC(=O)O S233579 [0,2,0,0,0,0|0,0,1]=3 109 B13R0.54 CCCCSCCCCCCC(=O)O R397334 [0,2,0,0,0,0|0,0,1]=3 110 B13R0.147 CCCCCCCCCCC([NH3+])CO L498645 [0,2,0,0,0,0|0,0,0]=2 111 B13R0.147 CCCCCCCCCOC(=O)CS S593966 [0,2,0,0,0,0|0,1,1]=4 112 B13R0.165 CCCCCCC(C)CCCCCC PH007361 [0,2,0,0,0,0|1,0,0]=3 113 B13R0.165 CCCCCCC(O)CCCCCC S544213 [0,2,0,0,0,0|1,0,0]=3 114 B13R0.165 CCCCCCN(N)CCCCCC PH007222 [0,2,0,0,0,0|1,0,0]=3 115 B13R0.165 CCCCCC[Sn](=O)CCCCCC S395749 [0,2,0,0,0,0|1,0,0]=3 116 B13R0.165 CCOCCCC(Br)CCCOCC S809624 [0,2,0,0,0,0|2,0,0]=4 117 B13R0.336 CCCCCCCCCCCCC#N S450065 [0,2,0,0,0,0|1,0,0]=3 118 B13R0.336 CCCCCCCCCCNCCN PH000736 [0,2,0,0,0,0|1,0,0]=3 119 B13R0.336 CCCCCCCCCCOCC#N S240419 [0,2,0,0,0,0|1,0,0]=3 120 B13R0.336 CCCCCCSSCCCCCC S570745 [0,2,0,0,0,0|1,0,0]=3 121 B13R0.336 CCCNCCCCCCNCCC S393959 [0,2,0,0,0,0|1,0,0]=3 122 B13R0.336 OC/C=C/CCCCCCCCCBr S881554 [0,2,0,0,0,0|0,0,1]=3 123 B13R0.336 OCCCCCCCCCCCCCl PH008321 [0,2,0,0,0,0|0,0,0]=2 124 B13R0.338 CCCCCCCC(=O)OCCCC CDS000585 [0,2,0,0,0,0|1,0,1]=4 125 B13R0.338 CCCCCOCC(O)CNCCN PH006966 [0,2,0,0,0,0|2,0,0]=4 126 B13R0.1 CCCCCCC(=O)CCCC(=O)O S580511 [0,2,0,0,0,0|0,0,2]=4 127 B13R0.150 CCCCCCCCCC(C)C(=O)O PH003560 [0,2,0,0,0,0|0,0,1]=3 128 B13R0.150 CCCCCCCCCC(C)N(C)C PH000851 [0,2,0,0,0,0|2,0,0]=4 129 B13R0.179 CC(=O)CCCCCCCCC(=O)O S826499 [0,2,0,0,0,0|0,0,2]=4 130 B13R0.179 CC(Br)CCCCCCCCC(=O)O L203696 [0,2,0,0,0,0|0,0,1]=3 131 B13R0.280 CCCCCCCCCCP(=O)(O)O T333360 [0,2,0,0,0,0|1,0,0]=3 132 B13R0.280 CCCCCCCCCCS(=O)(=O)Cl CDS001203 [0,2,0,0,0,0|1,0,1]=4 133 B11R1.4 CCCCOCC1CCCO1 S866369 [1,0,0,1,0,0|1,0,0]=3 134 B11R1.17 CC1CCCCN1CCCO S353426 [1,0,0,1,0,0|1,0,0]=3 135 B11R1.17 CCCCC1CCCCC1O S359122 [1,0,0,1,0,0|0,0,0]=2 136 B11R1.17 COCCC1CCCCN1C PH000449 [1,0,0,1,0,0|2,0,0]=4 137 B11R1.26 OCC1CCCCCCC1O T232882 [1,0,0,1,0,0|1,0,0]=3 138 B11R1.28 CCCCCC1CCCCC1 S431664 [1,0,0,1,0,0|0,0,0]=2 139 B11R1.28 CCCCCN1CCNCC1 CDS004779 [1,0,0,1,0,0|2,0,0]=4 140 B11R1.28 CCNCCN1CCCCC1 CBR02321 [1,0,0,1,0,0|2,0,0]=4 141 B11R1.28 CNCCCC1CCCCC1 PH010303 [1,0,0,1,0,0|1,0,0]=3 142 B11R1.28 COCCCC1CCCCN1 CBR01367 [1,0,0,1,0,0|2,0,0]=4 143 B11R1.28 COCCCC1CCCNC1 CBR01297 [1,0,0,1,0,0|2,0,0]=4 144 B11R1.28 N#CCCCC1CCCCC1 S432636 [1,0,0,1,0,0|1,0,1]=4 145 B11R1.28 NCCCCN1CCCCC1 PH002408 [1,0,0,1,0,0|2,0,0]=4 146 B11R1.28 NCCOCC1CCCCC1 CDS020939 [1,0,0,1,0,0|2,0,0]=4 147 B11R1.28 NNCCCC1CCCCC1 PH019011 [1,0,0,1,0,0|2,0,0]=4 148 B11R1.28 OCCCCN1CCNCC1 CBR00630 [1,0,0,1,0,0|2,0,0]=4 149 B11R1.28 OCCCCN1CCNCC1 PH019353 [1,0,0,1,0,0|2,0,0]=4 150 B11R1.28 SCCNCC1CCCCC1 PH012943 [1,0,0,1,0,0|1,1,0]=4 151 B11R1.41 CCCC\1CCCC/C1=N\O PH008814 [1,0,0,1,0,0|1,0,1]=4 152 B11R1.51 [C@@H]1(CCCCC[C@H]1CO)CO T192716 [1,0,0,1,0,0|1,0,0]=3 153 B11R1.92 C1CCCCCCCCCC1 T330035 [1,0,0,1,0,0|0,0,0]=2 154 B11R1.101 OC1CCCC=CCCCC1 S931985 [1,0,0,1,0,0|0,0,2]=4 155 B11R1.117 NCCC1CCCCCCC1 CBR01321 [1,0,0,1,0,0|1,0,0]=3 156 B11R1.180 CCCCCC1CCCC1=O S148938 [1,0,0,1,0,0|0,0,2]=4 157 B11R1.203 CCCCC1CCCCCN1 PH015579 [1,0,0,1,0,0|1,0,0]=3 158 B11R1.203 CNCCN1CCCCCC1 PH017966 [1,0,0,1,0,0|2,0,0]=4 159 B11R1.203 NCCCN1CCCCCC1 PH005125 [1,0,0,1,0,0|2,0,0]=4 160 B11R1.203 OCCCN1CCCCCC1 CBR00469 [1,0,0,1,0,0|1,0,0]=3 161 B13R1.119 CCCCCCCCC1OCCO1 T172561 [0,1,0,1,0,0|0,0,0]=2 162 B13R1.279 OC1C=CCCCCCCCCC1 T203130 [0,1,0,1,0,0|0,0,1]=3 163 B13R1.470 CCCC(C)CC1CCCCC1=O S511137 [0,1,0,1,0,0|0,0,2]=4 164 B13R1.603 CCC1CCCCCCCCC1=O T168572 [0,1,0,1,0,0|0,0,1]=3 165 B13R1.654 CCCCCCCC1CCCC1=O S362212 [0,1,0,1,0,0|0,0,1]=3 166 B13R1.28 C#CCCCCOC1CCCCO1 T166588 [0,1,0,1,0,0|0,0,2]=4 167 B13R1.28 CCCCCCCC1=NCCCS1 PH000574 [0,1,0,1,0,0|0,1,1]=4 168 B13R1.28 CCCCCCCC1CCCCC1 S412422 [0,1,0,1,0,0|1,0,0]=3 169 B13R1.28 CCCCCCOC1CCCCO1 S35220 [0,1,0,1,0,0|0,0,0]=2 170 B13R1.28 NCCCCCCN1CCCCC1 OTV000943 [0,1,0,1,0,0|1,0,0]=3 171 B13R1.1150 N#CCCNC1CCCCCCC1 PH015310 [0,1,0,1,0,0|1,0,1]=4 172 B13R1.1887 CCNCCCN1CCCCCC1 CDS021107 [0,1,0,1,0,0|2,0,0]=4 173 B13R1.1887 NCCCCCN1CCCCCC1 OTV000942 [0,1,0,1,0,0|1,0,0]=3 174 B13R1.2883 N1CCCCCCCCCCCC1 S457582 [0,1,0,1,0,0|1,0,0]=3 175 B13R1.1944 [18OH][C@@]1(CCCC[C@@H]1OC)CCCO T244511 [0,1,0,1,0,0|1,0,0]=3 176 B13R1.380 CC(C)CN1CCCCC1CCN CBR01169 [0,1,0,1,0,0|2,0,0]=4 177 B13R1.380 CCCC1CCCCC1CC(=O)O L128902 [0,1,0,1,0,0|0,0,1]=3 178 B13R1.9 CCCCCCN1CCC(CC1)C S647764 [0,1,0,1,0,0|2,0,0]=4 179 B13R1.1885 CCCCCCC1OC1C(O)CC S326755 [0,1,0,1,0,0|2,0,0]=4 180 B13R2.3 C1CCC(CC1)C2=NCCCC2 PH007100 [0,0,0,2,0,0|1,0,1]=4 181 B13R2.3 C1CCC(CC1)N2CCCCC2 S407267 [0,0,0,2,0,0|2,0,0]=4 182 B13R2.3 C1CCC(OC1)C2CCCCO2 S834777 [0,0,0,2,0,0|1,0,0]=3 183 B13R2.14 O=C1CCCCC12CCCCC2 T295582 [0,0,0,2,0,0|0,0,2]=4 184 B13R2.15 OC1OCOC1C2CCCCC2 T259136 [0,0,0,2,0,0|2,0,0]=4 185 B13R2.15 O[C@@H]1CCC[C@H]1N2CCNCC2 PH019373 [0,0,0,2,0,0|2,0,0]=4 186 B13R2.15 O[C@H]1CNC[C@@H]1N2CCCCC2 CBR01841 [0,0,0,2,0,0|2,0,0]=4 187 B13R2.1613 C12CCCC(N1CCNC2)CO PH015980 [0,0,0,2,0,0|2,0,0]=4 188 B13R2.1613 O/N=C\1/CCCC2C1CCCC2 S922013 [0,0,0,2,0,0|1,0,1]=4 189 B13R2.1613 OCC1CCCN2C1CCCC2 T327174 [0,0,0,2,0,0|1,0,0]=3 190 B13R2.1613 [C@H]12CCCCN1CCC[C@H]2CN CBR00685 [0,0,0,2,0,0|2,0,0]=4 191 B13R2.1613 [C@H]12CCCCN1CCC[C@H]2CO CDS000932 [0,0,0,2,0,0|1,0,0]=3 192 B13R2.1613 [C@H]12CCCCN1CCC[C@H]2CO R543748 [0,0,0,2,0,0|1,0,0]=3 193 B13R2.5252 [C@@H]12CCCCN([C@@H]1CCCC2)C T167894 [0,0,0,2,0,0|2,0,0]=4 194 B13R2.18 CN1CCCCC1C2CCCN2 PH014877 [0,0,0,2,0,0|2,0,0]=4 195 B13R2.2520 SCCNCC1CC2CCC1C2 PH012897 [0,0,0,2,0,0|1,1,0]=4 196 B13R2.8000 C1CCCC2(CCC1)OCCO2 R238643 [0,0,0,2,0,0|1,0,0]=3 197 B13R2.449 CCC[C@H]1CN2CCC[C@H]2CN1 PH015785 [0,0,0,2,0,0|2,0,0]=4 198 B13R2.57 OC[C@H]1CC[C@H]2CNCCN2C1 PH016762 [0,0,0,2,0,0|2,0,0]=4 199 B13R2.7258 OCC12CCCCC1NCCC2 PH015815 [0,0,0,2,0,0|1,0,0]=3 200 B13R2.369 CC1CC2CCCCC2CC1=O S450723 [0,0,0,2,0,0|0,0,2]=4 201 B13R2.342 OC1CCCC2C1CCCC2O R425729 [0,0,0,2,0,0|1,0,0]=3