0 B10R0.4 CC(=O)SCCCCCCN CS-0437379 [0,0,0,0,0,0|2,0,1]=3 1 B10R0.4 CCCCCCCCC(=O)O CS-0076036 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.4 CCCCOCCOC(C)=O CS-0198135 [0,0,0,0,0,0|2,0,1]=3 3 B10R0.4 NCCCCCCCC(=O)O CS-0661652 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.4 NCCCCCCCC(=O)O CS-W019464 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.4 O=C(O)CCCCCCCBr CS-W007700 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.4 O=C(O)CCCCCCCO CS-0187285 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.2 C(CC)=CCCOC(C)=O CS-W016426 [1,0,0,0,0,0|1,0,2]=4 8 B9R0.2 CC(=O)OCCCCCBr CS-0006787 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.2 CC(=O)OCCOCCO CS-0147717 [1,0,0,0,0,0|3,0,0]=4 10 B9R0.2 CCCCCC#CC(=O)O CS-0297443 [1,0,0,0,0,0|1,0,2]=4 11 B9R0.2 CCCCCCCC(=O)O CS-0016549 [1,0,0,0,0,0|1,0,1]=3 12 B9R0.2 CCCCCCCC(C)=O CS-0015991 [1,0,0,0,0,0|0,0,1]=2 13 B9R0.2 CCCCC\C=C\C(=O)O CS-0098436 [1,0,0,0,0,0|1,0,0]=2 14 B9R0.2 NCCCCCCC(=O)O CS-W002042 [1,0,0,0,0,0|2,0,1]=4 15 B9R0.2 O=C(O)CCCCCCBr CS-W007714 [1,0,0,0,0,0|2,0,1]=4 16 B9R0.2 O=C(O)CCCCCCO CS-W022546 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.45 C(CC)=CCCCCCO CS-W018274 [1,0,0,0,0,0|1,0,1]=3 18 B9R0.45 CCCCCCCCNC CS-0152155 [1,0,0,0,0,0|1,0,2]=4 19 B9R0.45 CCCCCCCCSC CS-0451724 [1,0,0,0,0,0|1,0,2]=4 20 B9R0.45 CC\C=C/CC\C=C\C=O CS-0185742 [1,0,0,0,0,0|0,0,2]=3 21 B11R0.30 CC(=O)CCCCCCC(C)=O CS-0155059 [0,1,0,0,0,0|0,0,3]=4 22 B11R0.40 CCCCCCCCC(=O)O[Na] CS-0185612 [0,1,0,0,0,0|1,0,2]=4 23 B11R0.40 CCCCCC\C=C\C(=O)OC CS-0152302 [0,1,0,0,0,0|0,0,0]=1 24 B11R0.40 COC(=O)CCCCCCCBr CS-0129057 [0,1,0,0,0,0|1,0,2]=4 25 B11R0.40 COC(=O)CCCCCCCN CS-0129029 [0,1,0,0,0,0|1,0,2]=4 26 B11R0.42 CCCCCCCC(C)C(=O)O CS-1050247 [0,1,0,0,0,0|1,0,2]=4 27 B11R0.42 CCCCCCCC(N)C(=O)O CS-0297510 [0,1,0,0,0,0|1,0,2]=4 28 B11R0.42 CCCCCCC[C@H](N)C(=O)O CS-0182629 [0,1,0,0,0,0|1,0,2]=4 29 B11R0.46 CCCCCC(C)CCC(=O)O CS-0152333 [0,1,0,0,0,0|1,0,2]=4 30 B11R0.148 CCCCCCCCCC(=O)O CS-W016025 [0,1,0,0,0,0|1,0,2]=4 31 B11R0.148 CCCCCCCCCC(C)=O CS-W017685 [0,1,0,0,0,0|0,0,2]=3 32 B11R0.148 CCCCCCCCOC(C)=O CS-0008806 [0,1,0,0,0,0|0,0,2]=3 33 B11R0.148 CCCCCCC\C=C\C(=O)O CS-0534 [0,1,0,0,0,0|1,0,0]=2 34 B11R0.148 CCOCCOCCOC(C)=O CS-0132448 [0,1,0,0,0,0|2,0,1]=4 35 B11R0.148 NCCCCCCCCC(=O)O CS-0158369 [0,1,0,0,0,0|1,0,2]=4 36 B11R0.148 O=C(O)CCCCCCCCBr CS-W007587 [0,1,0,0,0,0|1,0,2]=4 37 B11R0.148 O=C(O)CCCCCCCCO CS-W010763 [0,1,0,0,0,0|1,0,2]=4 38 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 CS-0465937 [0,0,0,1,0,0|2,0,1]=4 39 B11R1.24 CCCC[N+]1=CC=CC(C)=C1 CS-W012961 [0,0,0,1,0,0|2,0,1]=4 40 B11R1.24 CCCC[N+]1=CC=CC(C)=C1 CS-W016930 [0,0,0,1,0,0|2,0,1]=4 41 B11R1.27 CCCCCC1CCC(=O)O1 CS-W017997 [0,0,0,1,0,0|1,0,2]=4 42 B11R1.27 CCCCCN1C=C[N+](C)=C1 CS-0152135 [0,0,0,1,0,0|3,0,0]=4 43 B11R1.86 CC1CCCCC1CC(=O)O CS-0882279 [0,0,0,1,0,0|1,0,2]=4 44 B11R1.91 O=C(O)CCC1CCCCC1 CS-W018002 [0,0,0,1,0,0|1,0,2]=4 45 B11R1.91 O=C(O)\C=C\C1=CCCCC1 CS-0163254 [0,0,0,1,0,0|1,0,2]=4 46 B11R1.91 O=C(O)\C=C\C1CCCCC1 CS-0031387 [0,0,0,1,0,0|1,0,0]=2 47 B11R1.91 O=[N+]([O-])\C=C\C1CCCCC1 CS-0247531 [0,0,0,1,0,0|2,0,0]=3 48 B11R1.91 OB(O)\C=C\C1CCCCC1 CS-0100095 [0,0,0,1,0,0|2,0,1]=4 49 B11R1.742 O=C(O)CC1CCCCCC1 CS-0137653 [0,0,0,1,0,0|1,0,2]=4 50 B11R1.742 O=C(O)CN1CCCCCC1 CS-0072006 [0,0,0,1,0,0|2,0,1]=4 51 B8R0.4 C=CCCCCCCBr CS-W010733 [2,0,0,0,0,0|1,0,1]=4 52 B8R0.4 C=CCCCCCCO CS-0185603 [2,0,0,0,0,0|1,0,1]=4 53 B8R0.4 CCCCCCCC=O CS-0138976 [2,0,0,0,0,0|0,0,1]=3 54 B8R0.4 CCCCC\C=C\C=O CS-0200283 [2,0,0,0,0,0|0,0,0]=2 55 B8R0.4 CCCCC\C=C\CO CS-0152366 [2,0,0,0,0,0|0,0,2]=4 56 B8R0.7 CC(=O)NCCCCN CS-0453679 [2,0,0,0,0,0|2,0,0]=4 57 B8R0.7 CC(=O)OCCCCCl CS-W010967 [2,0,0,0,0,0|2,0,0]=4 58 B8R0.7 CCCCCCC(C)=O CS-W011125 [2,0,0,0,0,0|0,0,0]=2 59 B8R0.7 CCCCCCC(C)Br CS-0182749 [2,0,0,0,0,0|1,0,1]=4 60 B8R0.7 CCCCCCC(C)O CS-W011107 [2,0,0,0,0,0|0,0,2]=4 61 B8R0.7 CCCCCC[C@@H](C)N CS-0204339 [2,0,0,0,0,0|1,0,1]=4 62 B8R0.7 CCCCCC[C@@H](C)O CS-0140572 [2,0,0,0,0,0|0,0,2]=4 63 B8R0.7 CCCCCC[C@H](C)O CS-0140577 [2,0,0,0,0,0|0,0,2]=4 64 B8R0.7 CCCCOCC(=O)O CS-0152080 [2,0,0,0,0,0|2,0,0]=4 65 B8R0.7 NC(=O)CCCCCBr CS-0138401 [2,0,0,0,0,0|2,0,0]=4 66 B8R0.7 NCCCCCC(=O)O CS-2204 [2,0,0,0,0,0|2,0,0]=4 67 B8R0.7 NCCCCCC(N)=O CS-0137981 [2,0,0,0,0,0|2,0,0]=4 68 B8R0.7 O=C(O)CCCCCBr CS-W007559 [2,0,0,0,0,0|2,0,0]=4 69 B8R0.7 O=C(O)CCCCCCl CS-W018132 [2,0,0,0,0,0|2,0,0]=4 70 B8R0.7 O=C(O)CCCCCO CS-0158392 [2,0,0,0,0,0|2,0,0]=4 71 B8R0.7 O=C(O)CCCCC[O-] CS-0160664 [2,0,0,0,0,0|2,0,0]=4 72 B8R0.7 O=C([O-])CCCCCO CS-0158395 [2,0,0,0,0,0|2,0,0]=4 73 B10R0.3 CC(C)=CCCC(C)CCO CS-W010917 [1,1,0,0,0,0|2,0,0]=4 74 B10R0.3 CC(C)=CCC[C@H](C)CCO CS-W016231 [1,1,0,0,0,0|2,0,0]=4 75 B10R0.22 CCCCCCOS(C)(=O)=O CS-0099480 [1,1,0,0,0,0|2,0,0]=4 76 B10R0.74 C=CC(=O)OCCCCCC CS-0167366 [1,1,0,0,0,0|1,0,1]=4 77 B10R0.74 CCCCCC#CC(=O)OC CS-W014292 [1,1,0,0,0,0|0,0,2]=4 78 B10R0.74 CCCCCCCC(=O)NN CS-W002067 [1,1,0,0,0,0|1,0,1]=4 79 B10R0.74 CCCCCCCC(=O)NO CS-W001857 [1,1,0,0,0,0|1,0,1]=4 80 B10R0.74 CCCCCCCC(=O)OC CS-0128781 [1,1,0,0,0,0|0,0,1]=3 81 B10R0.74 CCCCCCCC(=O)O[Na] CS-W016055 [1,1,0,0,0,0|1,0,1]=4 82 B10R0.74 CCCCC\C=C\C(=O)OC CS-0097187 [1,1,0,0,0,0|0,0,0]=2 83 B10R0.74 COC(=O)CCCCCCBr CS-W004688 [1,1,0,0,0,0|1,0,1]=4 84 B10R0.74 COC(=O)CCCCCCN CS-W004807 [1,1,0,0,0,0|1,0,1]=4 85 B10R0.74 COC(=O)CCCCCCO CS-0059718 [1,1,0,0,0,0|1,0,1]=4 86 B10R0.75 CCCCCCC(N)C(=O)O CS-W016177 [1,1,0,0,0,0|1,0,1]=4 87 B10R0.75 CCCCCCC(O)C(=O)O CS-W016160 [1,1,0,0,0,0|1,0,1]=4 88 B10R0.75 CCCCCC[C@@H](N)C(=O)O CS-0152326 [1,1,0,0,0,0|1,0,1]=4 89 B10R0.75 [C@H](N)(CCCCCC)C(=O)O CS-W006364 [1,1,0,0,0,0|1,0,1]=4 90 B10R0.78 CCCCC(C)CCC(=O)O CS-W010894 [1,1,0,0,0,0|1,0,1]=4 91 B10R0.1 CCCCCCC(=O)OCC CS-W010893 [1,1,0,0,0,0|1,0,1]=4 92 B10R0.71 C(C=O)=CCCCCCCC CS-W016267 [1,1,0,0,0,0|0,0,0]=2 93 B10R0.71 CCCCC\C=C\C=C\C=O CS-W014343 [1,1,0,0,0,0|0,0,1]=3 94 B12R0.1 CCCCCCCCC(=O)OCC CS-0107002 [0,2,0,0,0,0|0,0,2]=4 95 B12R0.248 CCCCCCCCCC(=O)OC CS-W016888 [0,2,0,0,0,0|0,0,2]=4 96 B12R0.248 CCCCCCCCOC(=O)CN CS-W013080 [0,2,0,0,0,0|0,0,2]=4 97 B12R0.248 COC(=O)CCCCCCCCBr CS-0129031 [0,2,0,0,0,0|0,0,2]=4 98 B12R0.248 COC(=O)CCCCCCCCO CS-W016785 [0,2,0,0,0,0|0,0,2]=4 99 B12R0.251 C=C(C)C(=O)OCCCCCCCl CS-0569237 [0,2,0,0,0,0|2,0,0]=4 100 B12R0.234 O=C(O)\C=C\CCCCCCCO CS-0016772 [0,2,0,0,0,0|1,0,0]=3 101 B12R0.234 O=C(O)\C=C\CCCCCCCO CS-0648816 [0,2,0,0,0,0|1,0,0]=3 102 B10R1.10 CCCC1CCCC(=O)O1 CS-W018288 [1,0,0,1,0,0|1,0,1]=4 103 B10R1.16 CCCCC1CCC(=O)O1 CS-W018278 [1,0,0,1,0,0|1,0,1]=4 104 B10R1.18 CC(=O)CC1CCCCC1 CS-0155063 [1,0,0,1,0,0|0,0,1]=3 105 B10R1.18 CC(=O)NC1CCNCC1 CS-W016424 [1,0,0,1,0,0|2,0,0]=4 106 B10R1.18 NC(=O)NC1CCCCC1 CS-0071301 [1,0,0,1,0,0|2,0,0]=4 107 B10R1.18 O=C(O)C=C1CCCCC1 CS-0196826 [1,0,0,1,0,0|1,0,0]=3 108 B10R1.18 O=C(O)C=C1CCNCC1 CS-0103522 [1,0,0,1,0,0|2,0,0]=4 109 B10R1.18 O=C(O)C=C1CCOCC1 CS-0171621 [1,0,0,1,0,0|2,0,0]=4 110 B10R1.18 O=C(O)CC1CCCCC1 CS-W019439 [1,0,0,1,0,0|1,0,1]=4 111 B10R1.39 CC(=O)N1CCC[C@@H]1CO CS-0242767 [1,0,0,1,0,0|2,0,0]=4 112 B10R1.39 CC(=O)N1CCC[C@H]1CO CS-0256427 [1,0,0,1,0,0|2,0,0]=4 113 B10R1.61 CC(=O)N1CCNC[C@H]1C CS-0832715 [1,0,0,1,0,0|2,0,0]=4 114 B10R1.61 CC1CCCCC1C(=O)O CS-W018286 [1,0,0,1,0,0|1,0,1]=4 115 B10R1.66 O=C(O)CCC1CCCC1 CS-W018280 [1,0,0,1,0,0|1,0,1]=4 116 B10R1.78 O=C1CCCCCCCN1 CS-0090258 [1,0,0,1,0,0|1,0,0]=3 117 B10R1.348 CC(=O)N1CCCNCC1 CS-W011017 [1,0,0,1,0,0|2,0,0]=4 118 B10R1.348 O=C(O)C1CCCCCC1 CS-W007921 [1,0,0,1,0,0|1,0,1]=4 119 B10R1.21 CCCCCC1=CC=CO1 CS-0119428 [1,0,0,1,0,0|0,0,2]=4 120 B10R1.21 CCCCCC1=CC=CS1 CS-0128837 [1,0,0,1,0,0|0,1,1]=4 121 B10R1.161 NCC1CCC=CCCC1 CS-0310800 [1,0,0,1,0,0|1,0,1]=4 122 B12R1.7 CCCCCCC1=CC=C(Br)S1 CS-W014115 [0,1,0,1,0,0|1,1,0]=4 123 B12R1.7 CCCCCCC1CCC(=O)O1 CS-W017696 [0,1,0,1,0,0|1,0,1]=4 124 B12R1.7 CCCCCCN1C=C[N+](C)=C1 CS-W009303 [0,1,0,1,0,0|2,0,0]=4 125 B12R1.7 CCCCCCN1C=C[N+](C)=C1 CS-W013953 [0,1,0,1,0,0|2,0,0]=4 126 B12R1.7 CCCCCCN1C=C[N+](C)=C1 CS-W013956 [0,1,0,1,0,0|2,0,0]=4 127 B12R1.7 CCCCCCN1C=C[N+](C)=C1 CS-W014613 [0,1,0,1,0,0|2,0,0]=4 128 B12R1.7 CCCCCCN1C=C[N+](C)=C1 CS-W015487 [0,1,0,1,0,0|2,0,0]=4 129 B12R1.1 CCCCCC1CCC(=O)CC1 CS-W013233 [0,1,0,1,0,0|0,0,2]=4 130 B12R1.27 O=C(CCl)NCC1CCCCC1 CS-0145402 [0,1,0,1,0,0|1,0,1]=4 131 B12R1.43 C=C(C)C(=O)OC1CCCCC1 CS-0167875 [0,1,0,1,0,0|2,0,0]=4 132 B12R1.43 O=C(O)C(=O)NC1CCCCC1 CS-0312793 [0,1,0,1,0,0|2,0,0]=4 133 B12R1.252 O=C(O)\C=C\CN1CCCCC1 CS-0120306 [0,1,0,1,0,0|1,0,0]=3 134 B12R2.24 O=C1CCC2=C(CCCC2)N1 CS-0440045 [0,0,0,2,0,0|1,0,1]=4 135 B12R2.24 O=C1CCC2CCCCC2O1 CS-0063175 [0,0,0,2,0,0|1,0,1]=4 136 B12R2.2918 O=C1CC2(CCCCC2)CN1 CS-0096868 [0,0,0,2,0,0|1,0,1]=4