0 B11R0.4 CCCCCC#CC(=O)OCC S414107 [0,0,0,0,0,0|0,0,2]=2 1 B11R0.4 CCCCCCCC(=O)CCC CDS001481 [0,0,0,0,0,0|1,0,0]=1 2 B11R0.4 CCCCCCCC(=O)OCCl PH007966 [0,0,0,0,0,0|1,0,0]=1 3 B11R0.4 CCOC(=O)CCCC/C=N/O T240672 [0,0,0,0,0,0|2,0,1]=3 4 B11R0.4 CCOC(=O)CCCCCCO R174513 [0,0,0,0,0,0|1,0,0]=1 5 B10R0.1 CCCNCCC(=O)OCC OTV000022 [1,0,0,0,0,0|1,0,0]=2 6 B10R0.1 CCOC(=O)CCC/C=N/O T240745 [1,0,0,0,0,0|2,0,1]=4 7 B10R0.71 CCCCCCCCCCF S570354 [1,0,0,0,0,0|2,0,1]=4 8 B10R0.71 CCCCCCCCSCC S570656 [1,0,0,0,0,0|0,1,1]=3 9 B10R0.71 CCCCCCCSCCO S362220 [1,0,0,0,0,0|3,0,0]=4 10 B10R0.71 CCCCCCNCCCC OTV000454 [1,0,0,0,0,0|2,0,1]=4 11 B10R0.71 CCCCCNCCCCC S503770 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.71 CCOCCNCCOCC CDS000629 [1,0,0,0,0,0|2,0,1]=4 13 B10R0.74 CCCCCC#CC(=O)CC S128325 [1,0,0,0,0,0|0,0,2]=3 14 B10R0.74 CCCCCCCC(=O)CC S544043 [1,0,0,0,0,0|0,0,0]=1 15 B10R0.74 CCCCCCCC(=O)NO CDS000528 [1,0,0,0,0,0|2,0,0]=3 16 B10R0.74 CCCCCCCC(=O)N[O-] S756199 [1,0,0,0,0,0|2,0,0]=3 17 B10R0.74 CCCCCCCC(O)CC CDS001495 [1,0,0,0,0,0|0,0,2]=3 18 B10R0.74 CCCCCCNC(=O)NC S892793 [1,0,0,0,0,0|2,0,0]=3 19 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [1,0,0,0,0,0|2,0,0]=3 20 B12R0.1 CCCCOCCOC(=O)CCC PH008717 [0,1,0,0,0,0|2,0,0]=3 21 B12R0.4 CCCCCCCC(=O)CC(C)C S350397 [0,1,0,0,0,0|1,0,0]=2 22 B12R0.4 CCCCCCCC(=O)CC(C)C S879290 [0,1,0,0,0,0|1,0,0]=2 23 B12R0.4 CCCCCCCC(=O)OC(C)C CDS000544 [0,1,0,0,0,0|0,0,0]=1 24 B12R0.114 CCOC(=O)C(=O)CCCCCCl CDS020993 [0,1,0,0,0,0|1,0,1]=3 25 B12R0.206 CCCCCCCC(C)NCCO S540285 [0,1,0,0,0,0|2,0,1]=4 26 B12R0.239 CCCCOC(=O)CC(=O)OCC S810886 [0,1,0,0,0,0|1,0,1]=3 27 B12R0.285 CCOC(=O)CCNC(=O)OCC PH001370 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.32 CCCC(=O)NC1CCCCC1 PH009069 [0,0,0,1,0,0|2,0,0]=3 29 B12R1.32 CCNC(=O)CN1CCNCC1 CBR01289 [0,0,0,1,0,0|3,0,0]=4 30 B12R1.32 CCNC(=O)NC1CCCCC1 S603562 [0,0,0,1,0,0|2,0,0]=3 31 B12R1.32 CCOC(=O)C=C1CCOCC1 PHB00281 [0,0,0,1,0,0|1,0,2]=4 32 B12R1.32 CCOC(=O)CC1=CCCCC1 S368830 [0,0,0,1,0,0|0,0,2]=3 33 B12R1.32 CCOC(=O)CC1CCCNC1 PH010419 [0,0,0,1,0,0|1,0,0]=2 34 B12R1.32 CCOC(=O)CC1CCCNC1 PHB00138 [0,0,0,1,0,0|1,0,0]=2 35 B12R1.32 CCOC(=O)CC1CCNCC1 CDS003461 [0,0,0,1,0,0|1,0,0]=2 36 B12R1.32 CCOC(=O)CN1CCOCC1 PH011005 [0,0,0,1,0,0|2,0,0]=3 37 B12R1.32 CCOC(=O)NC1CCCCC1 S361593 [0,0,0,1,0,0|1,0,0]=2 38 B12R1.37 CCCCCCCC1=NCCS1 PH008234 [0,0,0,1,0,0|1,1,0]=3 39 B12R1.278 CCOC1CCCC(O1)OCC S411388 [0,0,0,1,0,0|1,0,2]=4 40 B12R1.318 CCOC(=O)CC1CCCC1=O T175358 [0,0,0,1,0,0|1,0,1]=3 41 B12R1.318 CCOC(=O)CN1CCCC1=O S782505 [0,0,0,1,0,0|2,0,1]=4 42 B12R1.456 CCCCCC1=CC(=O)CC1C T202762 [0,0,0,1,0,0|1,0,2]=4 43 B12R1.456 CCCCC[C@H]1N=C(C[C@H]1C)N PH015189 [0,0,0,1,0,0|3,0,0]=4 44 B12R1.1564 CCOC(=O)N1CCCCCC1 T168556 [0,0,0,1,0,0|1,0,0]=2 45 B12R1.1564 CCOC(=O)N1CCCNCC1 PH015507 [0,0,0,1,0,0|2,0,0]=3 46 B9R0.5 CCCCCC(=O)CCC S411825 [2,0,0,0,0,0|1,0,0]=3 47 B9R0.5 CCCCNC(=O)CCC EME00389 [2,0,0,0,0,0|2,0,0]=4 48 B9R0.5 CCCCNC(=O)NCC S802077 [2,0,0,0,0,0|2,0,0]=4 49 B9R0.5 CCCCNC(=O)OCC S406988 [2,0,0,0,0,0|1,0,0]=3 50 B9R0.5 CCOC(=O)CCCCI S677175 [2,0,0,0,0,0|1,0,0]=3 51 B9R0.5 CCOC(=O)CCCCN CDS023812 [2,0,0,0,0,0|1,0,0]=3 52 B9R0.5 CCOC(=O)NCCCBr PH001320 [2,0,0,0,0,0|2,0,0]=4 53 B9R0.5 [C-]#[N+]CCCC(=O)OCC PH015035 [2,0,0,0,0,0|1,0,1]=4 54 B9R0.45 CCCCCCCCNC CDS003222 [2,0,0,0,0,0|1,0,1]=4 55 B9R0.45 CCCCCCCCON PH014161 [2,0,0,0,0,0|1,0,1]=4 56 B9R0.45 CCCCCNCCCC OTV000733 [2,0,0,0,0,0|1,0,1]=4 57 B9R0.45 CCSCCCCSCC S347833 [2,0,0,0,0,0|1,1,0]=4 58 B9R0.46 CCCCC#CC(=O)OC PH000094 [2,0,0,0,0,0|0,0,2]=4 59 B9R0.46 CCCCCNC(=O)CCl S627690 [2,0,0,0,0,0|2,0,0]=4 60 B9R0.46 COC(=O)CCCCCBr S125334 [2,0,0,0,0,0|1,0,0]=3 61 B9R0.2 CCCC/C=C/CC(=O)O CDS000466 [2,0,0,0,0,0|0,0,2]=4 62 B9R0.2 CCCCCCCC(C)Br S438758 [2,0,0,0,0,0|1,0,1]=4 63 B9R0.2 CCCNOCCC(=O)C S581321 [2,0,0,0,0,0|2,0,0]=4 64 B9R0.2 COCCCCCC(=O)O CBR00492 [2,0,0,0,0,0|1,0,0]=3 65 B11R0.2 CC(C)OC(=O)CCCCCCl S362891 [1,1,0,0,0,0|1,0,0]=3 66 B11R0.2 CCCCCCC(=O)CC(C)C S350567 [1,1,0,0,0,0|1,0,0]=3 67 B11R0.5 CCCCC(N)CC(=O)OCC CBR00803 [1,1,0,0,0,0|0,0,0]=2 68 B11R0.81 O=C(CCCCCO)NCCO PH009131 [1,1,0,0,0,0|2,0,0]=4 69 B11R0.176 CCOC(=O)CSCCC(=O)C PH010101 [1,1,0,0,0,0|1,0,1]=4 70 B11R0.176 CCOC(=O)OCCCN(C)C S389528 [1,1,0,0,0,0|2,0,0]=4 71 B11R0.3 CC/C=C/CCCCCCCC PH003558 [1,1,0,0,0,0|1,0,0]=3 72 B11R0.3 CCCCCCCCCCSC S540161 [1,1,0,0,0,0|1,0,1]=4 73 B11R0.3 CCCCCCCCCSCC S547158 [1,1,0,0,0,0|0,1,1]=4 74 B11R0.3 CCCCCCCCNCCN PH000414 [1,1,0,0,0,0|1,0,1]=4 75 B11R0.3 CCCCCCCCNCCN S235881 [1,1,0,0,0,0|1,0,1]=4 76 B11R0.3 CCCCCCCCNCCS PH012947 [1,1,0,0,0,0|1,0,1]=4 77 B11R0.3 CCCSCCCCSCCC S347868 [1,1,0,0,0,0|2,0,0]=4 78 B11R0.148 CCCCCCCCCC(C)Br S452572 [1,1,0,0,0,0|1,0,1]=4 79 B11R0.148 CCCCCCCCCC(C)N S540293 [1,1,0,0,0,0|1,0,1]=4 80 B11R0.42 CCCCCCCC(=O)C(C)C S561193 [1,1,0,0,0,0|0,0,0]=2 81 B11R0.42 CCCCCCOC(=O)C(Cl)Cl PH008761 [1,1,0,0,0,0|2,0,0]=4 82 B11R0.154 CCCCCC(C)NC(=O)CCl S380253 [1,1,0,0,0,0|2,0,0]=4 83 B13R0.2 C(=C\CCC(=O)OCC)\CCCCC R277754 [0,2,0,0,0,0|0,0,0]=2 84 B13R0.2 CCCCCCCCCC(=O)CCC CDS000692 [0,2,0,0,0,0|1,0,0]=3 85 B13R0.2 CCOC(=O)CCCCCC/C=N/O T240664 [0,2,0,0,0,0|0,0,1]=3 86 B13R0.88 CCOC(=O)NCCCCNC(C)C PH013076 [0,2,0,0,0,0|1,0,0]=3 87 B13R0.275 CCCCCC/C=C(\C)/C(=O)OCC S884383 [0,2,0,0,0,0|0,0,1]=3 88 B13R0.275 CCCCCCCC(Br)C(=O)OCC PH006096 [0,2,0,0,0,0|0,0,0]=2 89 B13R0.275 CCCCCCNC(=O)C(=O)OCC R622389 [0,2,0,0,0,0|0,0,1]=3 90 B13R0.335 CCCCCCCOC(=O)CC(=O)C S556904 [0,2,0,0,0,0|1,0,1]=4 91 B13R0.335 CCCCCCCOC(=O)CC(C)C S630381 [0,2,0,0,0,0|1,0,0]=3 92 B13R0.286 CC(C)(C)OC(=O)CCOCCCN ANV00326 [0,2,0,0,0,0|2,0,0]=4 93 B13R0.286 CCCCC/C=C/C(=O)OC(C)(C)C T172510 [0,2,0,0,0,0|0,0,2]=4 94 B13R0.18 CCOC(=O)CCC(Br)C(=O)OCC PH001539 [0,2,0,0,0,0|1,0,1]=4 95 B13R0.18 CCOC(=O)CCC(N)C(=O)OCC S601144 [0,2,0,0,0,0|1,0,1]=4 96 B13R0.59 CCCCCCC(C#N)C(=O)OCC T253391 [0,2,0,0,0,0|0,0,0]=2 97 B13R0.806 C=COC(=O)C(C)(C)CCCCCC S449237 [0,2,0,0,0,0|0,0,2]=4 98 B13R0.806 CCCCCCC(C)(N)C(=O)OCC PH012381 [0,2,0,0,0,0|0,0,0]=2 99 B13R0.338 CCCCCCCC(=O)OCCCC CDS000585 [0,2,0,0,0,0|0,0,0]=2 100 B13R0.21 CCOC(=O)NCCCNC(C)(C)C PH013034 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.16 CCCC(=O)C1CCNCC1 CBR00415 [1,0,0,1,0,0|2,0,0]=4 102 B11R1.16 CCOC(=O)C1CNCCO1 CDS014275 [1,0,0,1,0,0|2,0,0]=4 103 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 CDS003427 [1,0,0,1,0,0|1,0,0]=3 104 B11R1.30 CCOC(=O)CC1CCCC1 S433101 [1,0,0,1,0,0|0,0,0]=2 105 B11R1.101 O=C1C=CCCCCCCC1 T231835 [1,0,0,1,0,0|1,0,1]=4 106 B11R1.101 O=C1CCCCCCCCN1 S929964 [1,0,0,1,0,0|1,0,0]=3 107 B11R1.180 CCCCCC1CCCC1=O S148938 [1,0,0,1,0,0|1,0,0]=3 108 B11R1.28 CCCCCC1CCCCC1 S431664 [1,0,0,1,0,0|1,0,1]=4 109 B11R1.92 C1CCCCCCCCCC1 T330035 [1,0,0,1,0,0|1,0,1]=4 110 B11R1.25 COC(=O)CCC1CCCC1 EME00045 [1,0,0,1,0,0|0,0,0]=2 111 B11R1.40 C(=C1CCCCC1)C(=O)OC T184454 [1,0,0,1,0,0|0,0,2]=4 112 B11R1.40 CCC(=O)NC1CCCCC1 PH004228 [1,0,0,1,0,0|1,0,0]=3 113 B11R1.40 CNC(=O)NC1CCCCC1 S604569 [1,0,0,1,0,0|2,0,0]=4 114 B11R1.40 COC(=O)CC1CCNCC1 CDS003616 [1,0,0,1,0,0|1,0,0]=3 115 B11R1.40 COC(=O)CN1CCNCC1 CBR01724 [1,0,0,1,0,0|2,0,0]=4 116 B11R1.40 O=C(CBr)OC1CCCCC1 PH001483 [1,0,0,1,0,0|2,0,0]=4 117 B11R1.40 O=C(CCl)OC1CCCCC1 PH009865 [1,0,0,1,0,0|2,0,0]=4 118 B11R1.40 O=C(CI)NC1CCCCC1 PH006183 [1,0,0,1,0,0|2,0,0]=4 119 B11R1.54 CCC1CCCCC1(O)CC S346012 [1,0,0,1,0,0|0,0,2]=4 120 B11R1.222 CC1CCCCN1C(=O)CCl PH011442 [1,0,0,1,0,0|2,0,0]=4 121 B11R1.222 COC(=O)C1CCCCC1O S764612 [1,0,0,1,0,0|1,0,0]=3 122 B11R1.222 COC(=O)C1COCCN1C PH018911 [1,0,0,1,0,0|2,0,0]=4 123 B11R1.222 COC(=O)C1NCCCC1O PH015818 [1,0,0,1,0,0|2,0,0]=4 124 B11R1.228 COC(=O)CC1CCCC1=O T177318 [1,0,0,1,0,0|1,0,1]=4 125 B11R1.381 CCC1CNCCC(=O)N1C PH018620 [1,0,0,1,0,0|2,0,0]=4 126 B11R1.852 O=C(CCl)N1CCCCCC1 PH010548 [1,0,0,1,0,0|2,0,0]=4 127 B13R1.42 CCOC(=O)CCC1CCCCC1 R278807 [0,1,0,1,0,0|0,0,0]=2 128 B13R1.42 CCOC(=O)CCN1CCNCC1 CDS003594 [0,1,0,1,0,0|1,0,0]=3 129 B13R1.42 CCOC(=O)CCN1CCOCC1 S349437 [0,1,0,1,0,0|1,0,0]=3 130 B13R1.42 CCOC(=O)COC1CCCCO1 PH001194 [0,1,0,1,0,0|1,0,0]=3 131 B13R1.119 CCCCCCCCC1OCCO1 T172561 [0,1,0,1,0,0|0,0,2]=4 132 B13R1.404 CCOC(=O)CNCC1CCCO1 CDS021648 [0,1,0,1,0,0|1,0,0]=3 133 B13R1.443 CCOC(=O)CC\1CCC/C1=N/O T175366 [0,1,0,1,0,0|1,0,1]=4 134 B13R1.463 CCOC(=O)C1CCCCCC1=O PH000254 [0,1,0,1,0,0|0,0,1]=3 135 B13R1.470 CCOC(=O)CN1CCCCC1=O PH010201 [0,1,0,1,0,0|1,0,1]=4 136 B13R1.470 CCSC(=O)NC1CCCCC1Cl R788546 [0,1,0,1,0,0|1,1,0]=4 137 B13R1.470 CCSC(=O)NC1CCCC[C@@H]1Cl L498521 [0,1,0,1,0,0|1,1,0]=4 138 B13R1.603 CCC1CCCCCCCCC1=O T168572 [0,1,0,1,0,0|1,0,0]=3 139 B13R1.654 CCCCCCCC1CCCC1=O S362212 [0,1,0,1,0,0|1,0,0]=3 140 B13R1.1575 C(=C\1/CCCCCN1)\C(=O)OCC T284157 [0,1,0,1,0,0|0,0,2]=4 141 B13R1.1575 CCOC(=O)NN1CCCCCC1 PH009331 [0,1,0,1,0,0|1,0,0]=3 142 B13R1.2851 CCCCCC1CC1C(=O)OCC T172472 [0,1,0,1,0,0|0,0,0]=2 143 B13R1.348 CC(C)NC(=O)NC1CCCCC1 S624284 [0,1,0,1,0,0|2,0,0]=4 144 B13R1.348 CC(C)OC(=O)NC1CCCCC1 S624799 [0,1,0,1,0,0|1,0,0]=3 145 B13R1.135 CCC(Br)C(=O)NC1CCCCC1 PH015168 [0,1,0,1,0,0|2,0,0]=4 146 B13R1.2620 CCC(Br)C(=O)N1CCCCCC1 PH015205 [0,1,0,1,0,0|2,0,0]=4 147 B13R1.41 CCOC(=O)CCC1CCC(=O)N1 PH008560 [0,1,0,1,0,0|1,0,1]=4 148 B13R1.41 CCOC(=O)CCC1CCC(=O)O1 PH008738 [0,1,0,1,0,0|1,0,1]=4 149 B13R1.1483 CCOC(=O)CCC1(OCCO1)C S875813 [0,1,0,1,0,0|2,0,0]=4 150 B13R1.47 CCOC(=O)C(C)N1CCCCC1 PH011976 [0,1,0,1,0,0|1,0,0]=3 151 B13R1.1546 CCOC(=O)C1(CCCCC1=O)C PH008631 [0,1,0,1,0,0|1,0,1]=4 152 B13R1.28 CCCCCCCC1=NCCCS1 PH000574 [0,1,0,1,0,0|1,1,0]=4 153 B13R1.44 CCCNC(=O)NC1CCCCC1 S624292 [0,1,0,1,0,0|2,0,0]=4 154 B13R1.44 CCCOC(=O)NC1CCCCC1 S624802 [0,1,0,1,0,0|1,0,0]=3 155 B13R1.44 O=C(CCCCl)NC1CCCCC1 L255114 [0,1,0,1,0,0|2,0,0]=4 156 B13R1.44 O=C(NC1CCCCC1)OCCCl S624934 [0,1,0,1,0,0|1,0,0]=3 157 B13R1.44 O=C(NCCBr)NC1CCCCC1 PH007468 [0,1,0,1,0,0|2,0,0]=4 158 B13R1.44 O=C(NCCCl)NC1CCCCC1 R592331 [0,1,0,1,0,0|2,0,0]=4 159 B13R1.44 O=C(NCCO)NC1CCCCC1 R714690 [0,1,0,1,0,0|2,0,0]=4 160 B13R1.2570 CCOC(=O)CC1(CCCCC1)N CBR01025 [0,1,0,1,0,0|0,0,0]=2 161 B13R1.2570 CCOC(=O)CC1(CCCCC1)O S37339 [0,1,0,1,0,0|0,0,0]=2 162 B13R1.2570 CCOC(=O)CC1(CCCCC1)O S853046 [0,1,0,1,0,0|0,0,0]=2 163 B13R1.19 CCOC(=O)NC1CCC(CC1)O EME00426 [0,1,0,1,0,0|1,0,0]=3 164 B13R1.1478 CCOC(=O)CC1CCC(C1=O)C T296031 [0,1,0,1,0,0|1,0,1]=4 165 B13R2.4719 O=C1CC2CCCCCC(C1)C2 T292923 [0,0,0,2,0,0|1,0,0]=3 166 B13R2.4719 [C@H]12CCCCC[C@H](C1)CC(=C)C2 T244996 [0,0,0,2,0,0|2,0,0]=4 167 B13R2.11128 O=C1CCCC2(C1)CCCCC2 S757470 [0,0,0,2,0,0|1,0,0]=3 168 B13R2.15 O=C1OCCN1C2CCNCC2 CBR01700 [0,0,0,2,0,0|2,0,0]=4 169 B13R2.14823 C(C)(OCC)C1C2C1CCCC2 T180955 [0,0,0,2,0,0|1,0,1]=4 170 B13R2.14823 C(C)(OCC)C1C2C1CCCC2 T184225 [0,0,0,2,0,0|1,0,1]=4 171 B13R2.8000 C1CCCC2(CCC1)OCCO2 R238643 [0,0,0,2,0,0|0,0,2]=4 172 B13R2.4787 [C@H]12CCCCCCCC1C(=O)N2 T179159 [0,0,0,2,0,0|1,0,0]=3 173 B13R2.4787 [C@H]12CCCCCCC[C@H]1C(=O)N2 T179191 [0,0,0,2,0,0|1,0,0]=3 174 B13R2.34 O=C1CCC2CCCCC2(C1)O S291749 [0,0,0,2,0,0|2,0,0]=4 175 B13R2.4023 [C@H]12CCCCC[C@H]1C(=O)OC2=O T197939 [0,0,0,2,0,0|1,0,1]=4 176 B13R2.10210 C[N+]12CCCC1CC(=O)NCC2 T162590 [0,0,0,2,0,0|2,0,0]=4 177 B13R2.816 [C@@H]12CCN([C@@H]1CC2)C(=O)OCC T168580 [0,0,0,2,0,0|1,0,0]=3