0 B12R0.5 C(=O)OCCCCCCCOC=O T177385 [0,0,0,0,0,0|3,0,1]=4 1 B12R0.5 CCCCCCCCCCCCN S825913 [0,0,0,0,0,0|1,0,1]=2 2 B12R0.5 CCCCCCCCCCCCN S825956 [0,0,0,0,0,0|1,0,1]=2 3 B12R0.5 CCCCCCCCCCCCN S826987 [0,0,0,0,0,0|1,0,1]=2 4 B12R0.5 CCCCCCCCCCSC#N S345245 [0,0,0,0,0,0|2,0,1]=3 5 B12R0.5 CCCCCCCCCCSCC S546925 [0,0,0,0,0,0|2,0,1]=3 6 B12R0.5 CCCCCCCCNCCCN PH000443 [0,0,0,0,0,0|2,0,1]=3 7 B12R0.5 CCCCCCCCSCCC#N S236233 [0,0,0,0,0,0|2,0,1]=3 8 B12R0.5 CCCCCCNCCCCCC S563226 [0,0,0,0,0,0|2,0,1]=3 9 B12R0.5 ICCCCCCCCCCCI S764493 [0,0,0,0,0,0|2,0,1]=3 10 B12R0.5 NCCCCCCCCCCCN CDS000080 [0,0,0,0,0,0|2,0,1]=3 11 B11R0.3 CC/C=C/CCCCCCCC PH003558 [1,0,0,0,0,0|0,0,3]=4 12 B11R0.3 CCCCCCCCC#CCBr PH009442 [1,0,0,0,0,0|1,0,2]=4 13 B11R0.3 CCCCCCCCCCC#N R750212 [1,0,0,0,0,0|1,0,1]=3 14 B11R0.3 CCCCCCCCCCSC S540161 [1,0,0,0,0,0|1,0,1]=3 15 B11R0.3 CCCCCCCCCC[Hg]Cl S572586 [1,0,0,0,0,0|2,0,0]=3 16 B11R0.3 CCCCCCCCCSCC S547158 [1,0,0,0,0,0|1,0,1]=3 17 B11R0.3 CCCCCCCCNCCN PH000414 [1,0,0,0,0,0|2,0,0]=3 18 B11R0.3 CCCCCCCCNCCN S235881 [1,0,0,0,0,0|2,0,0]=3 19 B11R0.3 CCCCCCCCNCCS PH012947 [1,0,0,0,0,0|1,1,0]=3 20 B11R0.3 CCCCCSSCCCCC CDS000577 [1,0,0,0,0,0|2,0,1]=4 21 B11R0.3 CCCSCCCCSCCC S347868 [1,0,0,0,0,0|2,0,1]=4 22 B11R0.3 COCCCCCCCCOC S344400 [1,0,0,0,0,0|2,0,1]=4 23 B13R0.2 CCCCCCCCCC(=O)CCC CDS000692 [0,1,0,0,0,0|1,0,2]=4 24 B13R0.54 C=CCCCCCCCCOC(=O)C PH011353 [0,1,0,0,0,0|1,0,2]=4 25 B13R0.54 CCCCCCCCCCOC(=O)C S359947 [0,1,0,0,0,0|1,0,0]=2 26 B13R0.54 CCCCCCCCCNCC(=O)O PH014167 [0,1,0,0,0,0|1,0,0]=2 27 B13R0.54 CCCCCCCCOCCC(=O)O S530719 [0,1,0,0,0,0|1,0,0]=2 28 B13R0.54 CCCCCCCCSCCC(=O)O S233579 [0,1,0,0,0,0|1,0,0]=2 29 B13R0.54 CCCCOCCOCCOC(=O)N PH007315 [0,1,0,0,0,0|3,0,0]=4 30 B13R0.54 CCCCSCCCCCCC(=O)O R397334 [0,1,0,0,0,0|1,0,0]=2 31 B13R0.54 NC(=O)CCCCCCCCC#CBr S28879 [0,1,0,0,0,0|1,0,2]=4 32 B13R0.54 O=C(O)CCCCCCCCC#CBr S199974 [0,1,0,0,0,0|1,0,2]=4 33 B13R0.147 CCCCCCCCCCC([NH3+])CO L498645 [0,1,0,0,0,0|0,0,2]=3 34 B13R0.165 CCCCCCC(C)CCCCCC PH007361 [0,1,0,0,0,0|1,0,1]=3 35 B13R0.165 CCCCCCC(O)CCCCCC S544213 [0,1,0,0,0,0|1,0,1]=3 36 B13R0.165 CCCCCCN(N)CCCCCC PH007222 [0,1,0,0,0,0|2,0,1]=4 37 B13R0.165 CCCCCC[Sn](=O)CCCCCC S395749 [0,1,0,0,0,0|2,0,1]=4 38 B13R0.336 CCCCCCCCCCCCC#N S450065 [0,1,0,0,0,0|1,0,1]=3 39 B13R0.336 CCCCCCCCCCNCCN PH000736 [0,1,0,0,0,0|1,0,1]=3 40 B13R0.336 CCCCCCCCCCOCC#N S240419 [0,1,0,0,0,0|1,0,1]=3 41 B13R0.336 CCCCCCSSCCCCCC S570745 [0,1,0,0,0,0|2,0,1]=4 42 B13R0.336 CCCNCCCCCCNCCC S393959 [0,1,0,0,0,0|2,0,1]=4 43 B13R0.336 OC/C=C/CCCCCCCCCBr S881554 [0,1,0,0,0,0|1,0,2]=4 44 B13R0.336 OCCCCCCCCCCCCCl PH008321 [0,1,0,0,0,0|0,0,2]=3 45 B13R1.28 CCCCCCCC1CCCCC1 S412422 [0,0,0,1,0,0|1,0,1]=3 46 B13R1.28 CCCCCCOC1CCCCO1 S35220 [0,0,0,1,0,0|1,0,2]=4 47 B13R1.28 NCCCCCCN1CCCCC1 OTV000943 [0,0,0,1,0,0|2,0,1]=4 48 B13R1.119 CCCCCCCCC1OCCO1 T172561 [0,0,0,1,0,0|1,0,2]=4 49 B13R1.279 OC1C=CCCCCCCCCC1 T203130 [0,0,0,1,0,0|2,0,0]=3 50 B13R1.603 CCC1CCCCCCCCC1=O T168572 [0,0,0,1,0,0|0,0,0]=1 51 B13R1.654 CCCCCCCC1CCCC1=O S362212 [0,0,0,1,0,0|0,0,0]=1 52 B13R1.1150 N#CCCNC1CCCCCCC1 PH015310 [0,0,0,1,0,0|2,0,1]=4 53 B13R1.1887 NCCCCCN1CCCCCC1 OTV000942 [0,0,0,1,0,0|2,0,1]=4 54 B13R1.2883 N1CCCCCCCCCCCC1 S457582 [0,0,0,1,0,0|1,0,1]=3 55 B10R0.71 C#CCCCCCCCCC CDS001229 [2,0,0,0,0,0|0,0,2]=4 56 B10R0.71 CCCCCCCCCCF S570354 [2,0,0,0,0,0|1,0,0]=3 57 B10R0.71 CCCCCCCCSCC S570656 [2,0,0,0,0,0|1,0,0]=3 58 B10R0.71 CCCCCCCSCCO S362220 [2,0,0,0,0,0|1,0,1]=4 59 B10R0.71 CCCCCCNCCCC OTV000454 [2,0,0,0,0,0|1,0,0]=3 60 B10R0.71 CCCCCCOCCCN S392022 [2,0,0,0,0,0|2,0,0]=4 61 B10R0.71 CCCCCNCCCCC S503770 [2,0,0,0,0,0|1,0,0]=3 62 B10R0.71 COCCCCCCCCN PH012543 [2,0,0,0,0,0|2,0,0]=4 63 B10R0.71 ICCCCCCCCCI S764507 [2,0,0,0,0,0|2,0,0]=4 64 B10R0.71 [NH2+](CCCCl)CCCCCC R738158 [2,0,0,0,0,0|2,0,0]=4 65 B12R0.206 CCCCCCCC(C)NCCO S540285 [1,1,0,0,0,0|1,0,1]=4 66 B12R0.234 C=CCCCCCCCCC(=O)[O-] CDS003850 [1,1,0,0,0,0|0,0,2]=4 67 B12R0.234 CC(=O)NCCCCCCCCN S233641 [1,1,0,0,0,0|2,0,0]=4 68 B12R0.234 CCCCCCCCCCC(=N)N PH012196 [1,1,0,0,0,0|1,0,0]=3 69 B12R0.234 CCCCCCCCCNC(=S)N PH008429 [1,1,0,0,0,0|1,1,0]=4 70 B12R0.234 CCCCCCCCCOC(=O)C S364258 [1,1,0,0,0,0|1,0,0]=3 71 B12R0.234 CCCCCCCCCSC(=N)N PH011951 [1,1,0,0,0,0|2,0,0]=4 72 B12R0.234 CCCCCCCCNCC(=O)N PH010602 [1,1,0,0,0,0|1,0,0]=3 73 B12R0.234 CCCCCCCCOCC(=O)O PH010016 [1,1,0,0,0,0|1,0,0]=3 74 B12R0.234 N#CCCCCCCCCC(=O)O S367591 [1,1,0,0,0,0|1,0,1]=4 75 B12R0.248 CCCCCCCCCC(=O)CC CDS000235 [1,1,0,0,0,0|0,0,2]=4 76 B12R0.248 CCCCCCCCCC([NH3+])CO L498637 [1,1,0,0,0,0|0,0,1]=3 77 B12R0.248 OCCCCCCCCC(O)CO CDS000271 [1,1,0,0,0,0|1,0,1]=4 78 B14R0.391 CCCCCCCCNC(=O)CC(=O)C S561266 [0,2,0,0,0,0|1,0,1]=4 79 B14R0.391 CCCCCCCCOC(=O)CC(=O)C CDS000569 [0,2,0,0,0,0|1,0,1]=4 80 B14R0.305 COC(=O)CCCCCCCCC(=O)O S669768 [0,2,0,0,0,0|1,0,1]=4 81 B14R0.305 O=C(O)CCCCCCCCC(O)CO S489425 [0,2,0,0,0,0|1,0,0]=3 82 B14R0.337 CCCCCCCCCCCC(=O)CC S543985 [0,2,0,0,0,0|0,0,0]=2 83 B14R0.337 CCCCCCCCCCCC([NH3+])CO L498653 [0,2,0,0,0,0|0,0,2]=4 84 B14R0.337 CCCCCCCCCCOC(=O)CCl S381594 [0,2,0,0,0,0|1,0,0]=3 85 B14R0.340 CCCCCCCCCCC(N)C(=O)O PH003648 [0,2,0,0,0,0|0,0,0]=2 86 B14R0.340 CCCCCCCCCCC(O)C(=O)O S742805 [0,2,0,0,0,0|0,0,0]=2 87 B14R0.344 CCCCCCCCC(C)CCC(=O)O S874531 [0,2,0,0,0,0|0,0,0]=2 88 B14R0.344 CCCCCCCCS(=O)CCC(=O)O R395420 [0,2,0,0,0,0|1,0,0]=3 89 B14R0.394 CC(=O)NCCCCCCCCCCN S236241 [0,2,0,0,0,0|1,0,0]=3 90 B14R0.394 CCCCCCCCCCCCC(=N)N PH011812 [0,2,0,0,0,0|1,0,0]=3 91 B14R0.394 CCCCCCCCCCCCC(=O)N S563005 [0,2,0,0,0,0|0,0,0]=2 92 B14R0.394 CCCCCCCCCCCSC(=N)N PH011950 [0,2,0,0,0,0|1,0,0]=3 93 B14R0.394 N#CCCCCCCCCCCC(=O)O R277878 [0,2,0,0,0,0|0,0,1]=3 94 B14R0.392 CCCCCCCCCCCC#CCBr PH006612 [0,2,0,0,0,0|1,0,1]=4 95 B14R0.392 CCCCCCCCCCCCCC#N S566004 [0,2,0,0,0,0|1,0,1]=4 96 B14R0.392 CCCCCCCCCCCCSC#N S517496 [0,2,0,0,0,0|0,1,1]=4 97 B14R0.392 CCCCCCCCCCCOCCO CDS018221 [0,2,0,0,0,0|0,0,2]=4 98 B14R0.392 CCCCCCCCCCOCCC#N PH003688 [0,2,0,0,0,0|1,0,1]=4 99 B14R0.392 CCCCCCCOCCCCCCC S565717 [0,2,0,0,0,0|1,0,1]=4 100 B14R0.392 CCCCCCCSCCCCCCC S413135 [0,2,0,0,0,0|1,0,1]=4 101 B14R0.392 CCOCCCCCCCCCOCC S842664 [0,2,0,0,0,0|1,0,1]=4 102 B14R0.86 CCCCCCCC(CO)CCCCC S572888 [0,2,0,0,0,0|1,0,1]=4 103 B12R1.8 C(=O)OCCCC1CCCCO1 T177490 [1,0,0,1,0,0|2,0,0]=4 104 B12R1.8 CCCCCCC1CCCCC1 S415766 [1,0,0,1,0,0|0,0,1]=3 105 B12R1.8 CCCCCCC1CCNCC1 PH013358 [1,0,0,1,0,0|1,0,1]=4 106 B12R1.8 NCCCCCN1CCCCC1 OTV000941 [1,0,0,1,0,0|2,0,0]=4 107 B12R1.37 C(=O)OCCCCC1CCCO1 T177369 [1,0,0,1,0,0|2,0,0]=4 108 B12R1.121 CCC1CCCCN1CCCN PH015340 [1,0,0,1,0,0|2,0,0]=4 109 B12R1.150 O=C1CCCCCCCCC1=O T209074 [1,0,0,1,0,0|1,0,1]=4 110 B12R1.150 O=C1CCCCCCCCC1O S116742 [1,0,0,1,0,0|1,0,0]=3 111 B12R1.169 CCCC1CCCCC1OCC T183857 [1,0,0,1,0,0|1,0,1]=4 112 B12R1.329 SCCNC1CCCCCCC1 PH012912 [1,0,0,1,0,0|1,1,0]=4 113 B12R1.410 CCC1CCCCCCCCC1 T168122 [1,0,0,1,0,0|0,0,1]=3 114 B12R1.550 C1CCCCCCCCCCC1 S436402 [1,0,0,1,0,0|0,0,1]=3 115 B12R1.1414 NCCCCN1CCCCCC1 CBR02326 [1,0,0,1,0,0|2,0,0]=4 116 B14R1.598 CCOC(=O)CCC1CCCCC1=O S669148 [0,1,0,1,0,0|1,0,1]=4 117 B14R1.96 COC1CCCCC1CCCC(=O)O PH007942 [0,1,0,1,0,0|1,0,0]=3 118 B14R1.422 NC(=O)CCCCCC1CCCCC1 L159425 [0,1,0,1,0,0|0,0,0]=2 119 B14R1.422 O=C(O)CCCCCC1CCCCC1 PH003785 [0,1,0,1,0,0|0,0,0]=2 120 B14R1.6414 O=C(O)C1=CCCCCCCCCC1 S434426 [0,1,0,1,0,0|0,0,2]=4 121 B14R1.6414 O=C(O)C1CCCCCCCCCC1 S435244 [0,1,0,1,0,0|0,0,0]=2 122 B14R1.247 O=C1CCCCCCCCCCC1=O T209082 [0,1,0,1,0,0|0,0,1]=3 123 B14R1.247 O=C1CCCCCCCCCCC1Br S371076 [0,1,0,1,0,0|0,0,0]=2 124 B14R1.247 O=C1CCCCCCCCCCC1O S565679 [0,1,0,1,0,0|0,0,0]=2 125 B14R1.247 OC1CCCCCCCCCCC1Cl S307475 [0,1,0,1,0,0|0,0,2]=4 126 B14R1.247 OC1CCCCCCCCCCC1O S427101 [0,1,0,1,0,0|0,0,2]=4 127 B14R1.845 C#CC1=CCCCCCCCCCC1 L169749 [0,1,0,1,0,0|1,0,1]=4 128 B14R1.845 CNC1CCCCCCCCCCC1 S428485 [0,1,0,1,0,0|1,0,1]=4 129 B14R1.845 N#CC1=CCCCCCCCCCC1 T197475 [0,1,0,1,0,0|1,0,1]=4 130 B14R1.845 OCC1CCCCCCCCCCC1 R278785 [0,1,0,1,0,0|0,0,2]=4 131 B14R1.845 ON=C1CCCCCCCCCCC1 S931969 [0,1,0,1,0,0|0,0,1]=3 132 B14R2.24 NC1CCCCC1C2CCCCC2 CDS013757 [0,0,0,2,0,0|1,0,1]=4 133 B14R2.24 O=C1CCCCC1C2=CCCCC2 R238201 [0,0,0,2,0,0|0,0,2]=4 134 B14R2.24 O=C1CCCCC1C2CCCCC2 CDS000224 [0,0,0,2,0,0|0,0,0]=2 135 B14R2.24 O=C1CNCCN1C2CCCCC2 CBR00725 [0,0,0,2,0,0|2,0,0]=4 136 B14R2.24 OC1CCCCC1C2CCCCC2 PH011434 [0,0,0,2,0,0|0,0,2]=4 137 B14R2.30 O=C1CCCC1CN2CCOCC2 S395900 [0,0,0,2,0,0|2,0,0]=4 138 B14R2.30 O=C1CCCN1CC2CCCNC2 CBR01469 [0,0,0,2,0,0|2,0,0]=4 139 B14R2.381 O=C1CCCCCC12CCCCC2 T164453 [0,0,0,2,0,0|0,0,0]=2 140 B14R2.396 O=C1CCCCCCC12CCCC2 T164437 [0,0,0,2,0,0|0,0,0]=2 141 B14R2.4911 OC12CCCCCCCCC1CC2 PH009459 [0,0,0,2,0,0|0,0,2]=4 142 B14R2.4612 O=C1CCCCC12CCCCCC2 T164380 [0,0,0,2,0,0|0,0,0]=2