0 B12R0.1 CCCCOCCOC(=O)CCC PH008717 [0,0,0,0,0,0|3,0,0]=3 1 B11R0.3 CC/C=C/CCCCCCCC PH003558 [1,0,0,0,0,0|1,0,0]=2 2 B11R0.3 CCCCCCCCC#CCBr PH009442 [1,0,0,0,0,0|2,0,1]=4 3 B11R0.3 CCCCCCCCCCSC S540161 [1,0,0,0,0,0|2,0,1]=4 4 B11R0.3 CCCCCCCCCSCC S547158 [1,0,0,0,0,0|0,1,1]=3 5 B11R0.3 CCCCCCCCNCCN PH000414 [1,0,0,0,0,0|3,0,0]=4 6 B11R0.3 CCCCCCCCNCCN S235881 [1,0,0,0,0,0|3,0,0]=4 7 B11R0.3 CCCCCCCCNCCS PH012947 [1,0,0,0,0,0|3,0,0]=4 8 B11R0.3 CCCSCCCCSCCC S347868 [1,0,0,0,0,0|3,0,0]=4 9 B11R0.4 CCCCCC#CC(=O)OCC S414107 [1,0,0,0,0,0|0,0,2]=3 10 B11R0.4 CCCCCCCC(=O)CCC CDS001481 [1,0,0,0,0,0|1,0,0]=2 11 B11R0.4 CCCCCCCC(=O)OCCl PH007966 [1,0,0,0,0,0|1,0,0]=2 12 B11R0.4 CCOC(=O)CCCC/C=N/O T240672 [1,0,0,0,0,0|2,0,1]=4 13 B11R0.4 CCOC(=O)CCCCCCO R174513 [1,0,0,0,0,0|1,0,0]=2 14 B11R0.40 C=CS(=O)CCCCCCCC R395390 [1,0,0,0,0,0|1,0,2]=4 15 B11R0.40 CCCCCCCCC([NH3+])CO L498629 [1,0,0,0,0,0|2,0,1]=4 16 B13R0.2 C(=C\CCC(=O)OCC)\CCCCC R277754 [0,1,0,0,0,0|0,0,1]=2 17 B13R0.2 CCCCCCCCCC(=O)CCC CDS000692 [0,1,0,0,0,0|1,0,0]=2 18 B13R0.2 CCCCCCCCNC(=O)CC#N S281050 [0,1,0,0,0,0|2,0,1]=4 19 B13R0.2 CCOC(=O)CCCCCC/C=N/O T240664 [0,1,0,0,0,0|1,0,1]=3 20 B13R0.88 CCOC(=O)NCCCCNC(C)C PH013076 [0,1,0,0,0,0|2,0,0]=3 21 B13R0.275 CCCCCC/C=C(\C)/C(=O)OCC S884383 [0,1,0,0,0,0|0,0,2]=3 22 B13R0.275 CCCCCCCC(Br)C(=O)OCC PH006096 [0,1,0,0,0,0|0,0,0]=1 23 B13R0.275 CCCCCCNC(=O)C(=O)OCC R622389 [0,1,0,0,0,0|1,0,1]=3 24 B13R0.335 CCCCCCCOC(=O)CC(=O)C S556904 [0,1,0,0,0,0|2,0,1]=4 25 B13R0.335 CCCCCCCOC(=O)CC(C)C S630381 [0,1,0,0,0,0|2,0,0]=3 26 B13R0.1338 CCCCCCCCS(=O)(=O)CCCl R397342 [0,1,0,0,0,0|3,0,0]=4 27 B13R0.1338 CCCCCCCCS(=O)(=O)CCN R395757 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.42 CCOC(=O)CCC1CCCCC1 R278807 [0,0,0,1,0,0|0,0,0]=1 29 B13R1.42 CCOC(=O)CCN1CCNCC1 CDS003594 [0,0,0,1,0,0|2,0,0]=3 30 B13R1.42 CCOC(=O)CCN1CCOCC1 S349437 [0,0,0,1,0,0|2,0,0]=3 31 B13R1.42 CCOC(=O)COC1CCCCO1 PH001194 [0,0,0,1,0,0|2,0,0]=3 32 B13R1.119 CCCCCCCCC1OCCO1 T172561 [0,0,0,1,0,0|0,0,2]=3 33 B13R1.404 CCOC(=O)CNCC1CCCO1 CDS021648 [0,0,0,1,0,0|2,0,0]=3 34 B13R1.443 CCOC(=O)CC\1CCC/C1=N/O T175366 [0,0,0,1,0,0|2,0,1]=4 35 B13R1.463 CCOC(=O)C1CCCCCC1=O PH000254 [0,0,0,1,0,0|1,0,1]=3 36 B13R1.470 CCOC(=O)CN1CCCCC1=O PH010201 [0,0,0,1,0,0|2,0,1]=4 37 B13R1.470 CCSC(=O)NC1CCCCC1Cl R788546 [0,0,0,1,0,0|2,1,0]=4 38 B13R1.470 CCSC(=O)NC1CCCC[C@@H]1Cl L498521 [0,0,0,1,0,0|2,1,0]=4 39 B13R1.603 CCC1CCCCCCCCC1=O T168572 [0,0,0,1,0,0|1,0,0]=2 40 B13R1.654 CCCCCCCC1CCCC1=O S362212 [0,0,0,1,0,0|1,0,0]=2 41 B13R1.1575 C(=C\1/CCCCCN1)\C(=O)OCC T284157 [0,0,0,1,0,0|1,0,2]=4 42 B13R1.1575 CCOC(=O)NN1CCCCCC1 PH009331 [0,0,0,1,0,0|2,0,0]=3 43 B13R1.2851 CCCCCC1CC1C(=O)OCC T172472 [0,0,0,1,0,0|0,0,0]=1 44 B10R0.71 CCCCCCCCCCF S570354 [2,0,0,0,0,0|1,0,1]=4 45 B10R0.71 CCCCCCCCSCC S570656 [2,0,0,0,0,0|0,1,0]=3 46 B10R0.71 CCCCCCNCCCC OTV000454 [2,0,0,0,0,0|1,0,1]=4 47 B10R0.71 CCCCCNCCCCC S503770 [2,0,0,0,0,0|1,0,1]=4 48 B10R0.71 CCOCCNCCOCC CDS000629 [2,0,0,0,0,0|2,0,0]=4 49 B10R0.71 COCCCCCCCCN PH012543 [2,0,0,0,0,0|1,0,1]=4 50 B10R0.1 CCCNCCC(=O)OCC OTV000022 [2,0,0,0,0,0|1,0,0]=3 51 B10R0.74 CCCCCC#CC(=O)CC S128325 [2,0,0,0,0,0|0,0,2]=4 52 B10R0.74 CCCCCCCC(=O)CC S544043 [2,0,0,0,0,0|0,0,0]=2 53 B10R0.74 CCCCCCCC(=O)NO CDS000528 [2,0,0,0,0,0|2,0,0]=4 54 B10R0.74 CCCCCCCC(=O)N[O-] S756199 [2,0,0,0,0,0|2,0,0]=4 55 B10R0.74 CCCCCCCC(O)CC CDS001495 [2,0,0,0,0,0|0,0,2]=4 56 B10R0.74 CCCCCCNC(=O)NC S892793 [2,0,0,0,0,0|2,0,0]=4 57 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [2,0,0,0,0,0|2,0,0]=4 58 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [2,0,0,0,0,0|0,0,2]=4 59 B10R0.4 CCCCCCC#CC(=O)O S354023 [2,0,0,0,0,0|0,0,2]=4 60 B10R0.4 CCCCCCCCC(=N)N PH012190 [2,0,0,0,0,0|2,0,0]=4 61 B10R0.4 CCCCCCCCC(=O)N S595268 [2,0,0,0,0,0|1,0,0]=3 62 B10R0.4 CCCCCCCCC(C)N T151068 [2,0,0,0,0,0|1,0,1]=4 63 B10R0.4 CCCCCCCC[N+](=O)[O-] S917680 [2,0,0,0,0,0|1,0,1]=4 64 B10R0.4 CCCCCCCNC(=O)C R704377 [2,0,0,0,0,0|1,0,0]=3 65 B10R0.4 CCCCCCCNC(=O)N S516643 [2,0,0,0,0,0|2,0,0]=4 66 B12R0.5 CCCCCCCCCCCCN S825913 [1,1,0,0,0,0|1,0,1]=4 67 B12R0.5 CCCCCCCCCCCCN S825956 [1,1,0,0,0,0|1,0,1]=4 68 B12R0.5 CCCCCCCCCCCCN S826987 [1,1,0,0,0,0|1,0,1]=4 69 B12R0.5 CCCCCCCCCCSCC S546925 [1,1,0,0,0,0|0,1,1]=4 70 B12R0.5 CCCCCCCCNCCCN PH000443 [1,1,0,0,0,0|2,0,0]=4 71 B12R0.5 CCCCCCNCCCCCC S563226 [1,1,0,0,0,0|1,0,1]=4 72 B12R0.234 CCCCCCCCCOC(=O)C S364258 [1,1,0,0,0,0|0,0,2]=4 73 B12R0.248 CCCCCCCCCC(=O)CC CDS000235 [1,1,0,0,0,0|1,0,1]=4 74 B12R0.4 CCCCCCCC(=O)CC(C)C S350397 [1,1,0,0,0,0|1,0,0]=3 75 B12R0.4 CCCCCCCC(=O)CC(C)C S879290 [1,1,0,0,0,0|1,0,0]=3 76 B12R0.4 CCCCCCCC(=O)OC(C)C CDS000544 [1,1,0,0,0,0|0,0,0]=2 77 B12R0.114 CCOC(=O)C(=O)CCCCCCl CDS020993 [1,1,0,0,0,0|1,0,1]=4 78 B12R0.239 CCCCOC(=O)CC(=O)OCC S810886 [1,1,0,0,0,0|1,0,1]=4 79 B12R0.183 CCC(=O)CCCCCC(=O)CC S872482 [1,1,0,0,0,0|0,0,1]=3 80 B12R0.184 CC(C)CCCCCOC(=O)CS S559040 [1,1,0,0,0,0|2,0,0]=4 81 B12R0.184 COC(=O)NCCCCNC(C)C PH013070 [1,1,0,0,0,0|2,0,0]=4 82 B12R0.251 CCCCCCCCC(=O)C(C)C S866784 [1,1,0,0,0,0|0,0,0]=2 83 B14R0.1 CCOC(=O)CCSCCC(=O)OCC S459402 [0,2,0,0,0,0|1,0,1]=4 84 B14R0.83 CCCCCCCCC(Br)C(=O)OCC S377406 [0,2,0,0,0,0|0,0,0]=2 85 B14R0.391 CCCCCCCCNC(=O)CC(=O)C S561266 [0,2,0,0,0,0|1,0,1]=4 86 B14R0.391 CCCCCCCCOC(=O)CC(=O)C CDS000569 [0,2,0,0,0,0|1,0,1]=4 87 B14R0.493 CCCCCCCCCC(=O)NCCO R594741 [0,2,0,0,0,0|1,0,0]=3 88 B14R0.120 CCOC(=O)CCCCC(Cl)C(=O)CCl PH005959 [0,2,0,0,0,0|1,0,1]=4 89 B14R0.413 CCOC(=O)NCCCCNC(C)(C)C PH013016 [0,2,0,0,0,0|2,0,0]=4 90 B14R0.410 CCOC(=O)CCCC(Br)C(=O)OCC PH005369 [0,2,0,0,0,0|1,0,1]=4 91 B14R0.2225 CCCCCC/C(=C(\C)/C(=O)OCC)/C S884308 [0,2,0,0,0,0|0,0,2]=4 92 B14R0.490 CCCCCCCCC(CCC)C(=O)O PH002643 [0,2,0,0,0,0|1,0,1]=4 93 B12R1.8 CCCCCCC1CCCCC1 S415766 [1,0,0,1,0,0|1,0,1]=4 94 B12R1.8 CCCCCCC1CCNCC1 PH013358 [1,0,0,1,0,0|1,0,1]=4 95 B12R1.169 CCCC1CCCCC1OCC T183857 [1,0,0,1,0,0|0,0,1]=3 96 B12R1.410 CCC1CCCCCCCCC1 T168122 [1,0,0,1,0,0|1,0,1]=4 97 B12R1.550 C1CCCCCCCCCCC1 S436402 [1,0,0,1,0,0|1,0,1]=4 98 B12R1.32 CCCC(=O)NC1CCCCC1 PH009069 [1,0,0,1,0,0|2,0,0]=4 99 B12R1.32 CCNC(=O)NC1CCCCC1 S603562 [1,0,0,1,0,0|2,0,0]=4 100 B12R1.32 CCOC(=O)CC1=CCCCC1 S368830 [1,0,0,1,0,0|0,0,2]=4 101 B12R1.32 CCOC(=O)CC1CCCNC1 PH010419 [1,0,0,1,0,0|1,0,0]=3 102 B12R1.32 CCOC(=O)CC1CCCNC1 PHB00138 [1,0,0,1,0,0|1,0,0]=3 103 B12R1.32 CCOC(=O)CC1CCNCC1 CDS003461 [1,0,0,1,0,0|1,0,0]=3 104 B12R1.32 CCOC(=O)CN1CCOCC1 PH011005 [1,0,0,1,0,0|2,0,0]=4 105 B12R1.32 CCOC(=O)NC1CCCCC1 S361593 [1,0,0,1,0,0|1,0,0]=3 106 B12R1.318 CCOC(=O)CC1CCCC1=O T175358 [1,0,0,1,0,0|1,0,1]=4 107 B12R1.1564 CCOC(=O)N1CCCCCC1 T168556 [1,0,0,1,0,0|1,0,0]=3 108 B12R1.1564 CCOC(=O)N1CCCNCC1 PH015507 [1,0,0,1,0,0|2,0,0]=4 109 B12R1.7 C(=C\CCC1CCC(=O)C1)\CC T279757 [1,0,0,1,0,0|0,0,2]=4 110 B12R1.27 COC(=O)CCN1CCCCC1 PH006882 [1,0,0,1,0,0|1,0,0]=3 111 B12R1.27 COC(=O)CNC1CCOCC1 CDS023751 [1,0,0,1,0,0|2,0,0]=4 112 B12R1.27 O=C(CCl)NCC1CCCCC1 CBR00098 [1,0,0,1,0,0|2,0,0]=4 113 B12R1.371 CCC(=O)NC1CCCCC1Cl R787426 [1,0,0,1,0,0|2,0,0]=4 114 B12R1.477 COC(=O)NCCC1CCCC1 T175315 [1,0,0,1,0,0|1,0,0]=3 115 B14R1.40 CCCCCCCCCC1=NCCS1 PH008238 [0,1,0,1,0,0|1,1,0]=4 116 B14R1.520 CCOC(=O)/C=C/OC1CCCCC1 PH008733 [0,1,0,1,0,0|0,0,2]=4 117 B14R1.598 CCOC(=O)CCC1CCCCC1=O S669148 [0,1,0,1,0,0|0,0,1]=3 118 B14R1.123 CCCCCCCCC1=NCCCS1 PH008222 [0,1,0,1,0,0|1,1,0]=4 119 B14R1.623 CCOC(=O)C1CCCCC1C(=O)O S509183 [0,1,0,1,0,0|1,0,1]=4 120 B14R1.247 O=C1CCCCCCCCCCC1=O T209082 [0,1,0,1,0,0|1,0,0]=3 121 B14R1.247 O=C1CCCCCCCCCCC1Br S371076 [0,1,0,1,0,0|1,0,0]=3 122 B14R1.247 O=C1CCCCCCCCCCC1O S565679 [0,1,0,1,0,0|1,0,0]=3 123 B14R1.471 CCCN1CCCC(C1)C(=O)OCC PH010469 [0,1,0,1,0,0|1,0,0]=3 124 B14R1.471 CCOC(=O)C1CCCN(C1)CCO PH015090 [0,1,0,1,0,0|2,0,0]=4 125 B14R1.7309 CCOC(=O)[C@]1(CCCCCOC1)O T177423 [0,1,0,1,0,0|1,0,0]=3 126 B14R1.845 C#CC1=CCCCCCCCCCC1 L169749 [0,1,0,1,0,0|2,0,0]=4 127 B14R1.845 N#CC1=CCCCCCCCCCC1 T197475 [0,1,0,1,0,0|2,0,0]=4 128 B14R1.845 ON=C1CCCCCCCCCCC1 S931969 [0,1,0,1,0,0|1,0,1]=4 129 B14R1.29 CCOC(=O)CC(=O)C1CCCCC1 CDS005285 [0,1,0,1,0,0|0,0,1]=3 130 B14R1.7241 CCOC(=O)C1CCC1C(=O)OCC T182087 [0,1,0,1,0,0|1,0,1]=4 131 B14R1.7241 [C@@H]1(CCC1C(=O)OCC)C(=O)OCC T182060 [0,1,0,1,0,0|1,0,1]=4 132 B14R2.21007 C[N+]12CCCCC1CC(=O)NCC2 T162604 [0,0,0,2,0,0|2,0,0]=4 133 B14R2.33722 CCOC(C)C1C2C1C(CCC2)C T180963 [0,0,0,2,0,0|1,0,1]=4