0 B10R0.4 C#CCCCCCCC(=O)O CS-0131147 [0,0,0,0,0,0|0,0,2]=2 1 B10R0.4 C#CCOCCOCC(=O)O CS-0147784 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.4 CC(=O)SCCCCCCN CS-0437379 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.4 CCCCCCCCB(O)O CS-W000909 [0,0,0,0,0,0|1,0,1]=2 4 B10R0.4 CCCCCCCCC(=O)O CS-0076036 [0,0,0,0,0,0|0,0,0]=0 5 B10R0.4 CCCCOCCOC(C)=O CS-0198135 [0,0,0,0,0,0|3,0,0]=3 6 B10R0.4 NCCCCCCCC(=O)O CS-0661652 [0,0,0,0,0,0|1,0,0]=1 7 B10R0.4 NCCCCCCCC(=O)O CS-W019464 [0,0,0,0,0,0|1,0,0]=1 8 B10R0.4 NCCOCCOCC(=O)O CS-0097751 [0,0,0,0,0,0|3,0,0]=3 9 B10R0.4 NCCOCCOCC(=O)O CS-1038769 [0,0,0,0,0,0|3,0,0]=3 10 B10R0.4 NCCOCCOCC(=O)O CS-1038779 [0,0,0,0,0,0|3,0,0]=3 11 B10R0.4 NCCOCCOCC(=O)O CS-1038786 [0,0,0,0,0,0|3,0,0]=3 12 B10R0.4 NCCOCCOCC(=O)O CS-1038791 [0,0,0,0,0,0|3,0,0]=3 13 B10R0.4 NCCOCCOCC(=O)O CS-W006524 [0,0,0,0,0,0|3,0,0]=3 14 B10R0.4 O=C(O)CCCCCCCBr CS-W007700 [0,0,0,0,0,0|1,0,0]=1 15 B10R0.4 O=C(O)CCCCCCCO CS-0187285 [0,0,0,0,0,0|1,0,0]=1 16 B10R0.4 O=C(O)COCCOCCCl CS-0046441 [0,0,0,0,0,0|3,0,0]=3 17 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O CS-0181306 [0,0,0,0,0,0|3,0,0]=3 18 B10R0.4 [N-]=[N+]=NCCOCCC(=O)O CS-0114522 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.2 C#CCCCCCC(=O)O CS-0006437 [1,0,0,0,0,0|0,0,2]=3 20 B9R0.2 C=CCCCCCC(=O)O CS-0147251 [1,0,0,0,0,0|0,0,2]=3 21 B9R0.2 CC(=O)OCCCCCBr CS-0006787 [1,0,0,0,0,0|3,0,0]=4 22 B9R0.2 CCCCCC#CC(=O)O CS-0297443 [1,0,0,0,0,0|0,0,2]=3 23 B9R0.2 CCCCCCCC(=O)O CS-0016549 [1,0,0,0,0,0|0,0,0]=1 24 B9R0.2 CCCCCCCC(C)=O CS-0015991 [1,0,0,0,0,0|1,0,0]=2 25 B9R0.2 CCCCC\C=C\C(=O)O CS-0098436 [1,0,0,0,0,0|0,0,2]=3 26 B9R0.2 COCCOCCC(=O)O CS-0105847 [1,0,0,0,0,0|2,0,0]=3 27 B9R0.2 NCCCCCCC(=O)O CS-W002042 [1,0,0,0,0,0|1,0,0]=2 28 B9R0.2 O=C(O)CCCCCCBr CS-W007714 [1,0,0,0,0,0|1,0,0]=2 29 B9R0.2 O=C(O)CCCCCCO CS-W022546 [1,0,0,0,0,0|1,0,0]=2 30 B9R0.2 [N-]=[N+]=NCCCCC(=O)O CS-0109049 [1,0,0,0,0,0|3,0,0]=4 31 B9R0.45 BrCCCCCCCCBr CS-0007585 [1,0,0,0,0,0|2,0,1]=4 32 B9R0.45 C#CCCCCCCCC CS-0031636 [1,0,0,0,0,0|1,0,1]=3 33 B9R0.45 C#CCCCCCCCI CS-0614924 [1,0,0,0,0,0|2,0,1]=4 34 B9R0.45 C#CCCCCCCCO CS-W018840 [1,0,0,0,0,0|0,0,3]=4 35 B9R0.45 C(CC)=CCCCCCO CS-W018274 [1,0,0,0,0,0|0,0,3]=4 36 B9R0.45 C=CCCCCCCC=C CS-0199334 [1,0,0,0,0,0|1,0,2]=4 37 B9R0.45 C=CCCCCCCCBr CS-W006397 [1,0,0,0,0,0|2,0,0]=3 38 B9R0.45 C=CCCCCCCCO CS-0185599 [1,0,0,0,0,0|2,0,0]=3 39 B9R0.45 CCCCCCCCCBr CS-W015275 [1,0,0,0,0,0|1,0,1]=3 40 B9R0.45 CCCCCCCCCI CS-0179369 [1,0,0,0,0,0|1,0,1]=3 41 B9R0.45 CCCCCCCCCN CS-W016408 [1,0,0,0,0,0|1,0,1]=3 42 B9R0.45 CCCCCCCCCO CS-W009532 [1,0,0,0,0,0|0,0,1]=2 43 B9R0.45 CCCCCCCCNC CS-0152155 [1,0,0,0,0,0|2,0,0]=3 44 B9R0.45 CCCCCCCCSC CS-0451724 [1,0,0,0,0,0|2,0,0]=3 45 B9R0.45 CCCCNCCCCO CS-0152101 [1,0,0,0,0,0|1,0,1]=3 46 B9R0.45 CNCCCCCCNC CS-0150992 [1,0,0,0,0,0|3,0,0]=4 47 B9R0.45 COCCCCCCOC CS-0321041 [1,0,0,0,0,0|3,0,0]=4 48 B9R0.45 ICCCCCCCCI CS-0196432 [1,0,0,0,0,0|2,0,1]=4 49 B9R0.45 NCCCCCCCCN CS-W016375 [1,0,0,0,0,0|2,0,1]=4 50 B9R0.45 NCCCCCCCCO CS-0147845 [1,0,0,0,0,0|1,0,1]=3 51 B9R0.45 OCCCCCCCCBr CS-0015428 [1,0,0,0,0,0|1,0,1]=3 52 B9R0.45 OCCCCCCCCCl CS-W014309 [1,0,0,0,0,0|1,0,1]=3 53 B9R0.45 OCCCCCCCCO CS-W018224 [1,0,0,0,0,0|1,0,1]=3 54 B11R0.30 CC(=O)CCCCCCC(C)=O CS-0155059 [0,1,0,0,0,0|1,0,1]=3 55 B11R0.30 NC(=O)NCCCCCC(=O)O CS-0308790 [0,1,0,0,0,0|2,0,1]=4 56 B11R0.30 O=C(O)CCCCCCC(=O)O CS-W016016 [0,1,0,0,0,0|1,0,1]=3 57 B11R0.30 O=C(O)CCCNCCC(=O)O CS-0889596 [0,1,0,0,0,0|2,0,1]=4 58 B11R0.40 CCCCCCCCC(=O)O[Na] CS-0185612 [0,1,0,0,0,0|0,0,0]=1 59 B11R0.40 CCCCCCCCC(O)CO CS-0198860 [0,1,0,0,0,0|0,0,2]=3 60 B11R0.40 CCCCCC\C=C\C(=O)OC CS-0152302 [0,1,0,0,0,0|0,0,2]=3 61 B11R0.40 COC(=O)CCCCCCCBr CS-0129057 [0,1,0,0,0,0|1,0,0]=2 62 B11R0.40 COC(=O)CCCCCCCN CS-0129029 [0,1,0,0,0,0|1,0,0]=2 63 B11R0.42 C=CCCCCC[C@H](N)C(=O)O CS-0006844 [0,1,0,0,0,0|0,0,2]=3 64 B11R0.42 C=CCCCCC[C@H](N)C(=O)O CS-0162412 [0,1,0,0,0,0|0,0,2]=3 65 B11R0.42 CCCCCCCC(C)C(=O)O CS-1050247 [0,1,0,0,0,0|0,0,0]=1 66 B11R0.42 CCCCCCCC(N)C(=O)O CS-0297510 [0,1,0,0,0,0|0,0,0]=1 67 B11R0.42 CCCCCCC[C@H](N)C(=O)O CS-0182629 [0,1,0,0,0,0|0,0,0]=1 68 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O CS-0201765 [0,1,0,0,0,0|2,0,1]=4 69 B11R0.42 [N-]=[N+]=NCCCC[C@H](N)C(=O)O CS-0120779 [0,1,0,0,0,0|3,0,0]=4 70 B11R0.46 CCCCCC(C)CCC(=O)O CS-0152333 [0,1,0,0,0,0|0,0,0]=1 71 B11R0.46 CCCCCN(C)CCC(=O)O CS-0152136 [0,1,0,0,0,0|1,0,0]=2 72 B11R0.111 COC(=O)CCCCCC(=O)O CS-W001494 [0,1,0,0,0,0|1,0,1]=3 73 B11R0.148 C#CCCCCCCCC(=O)O CS-0143674 [0,1,0,0,0,0|0,0,1]=2 74 B11R0.148 C#CCOCCOCCC(=O)O CS-0068466 [0,1,0,0,0,0|1,0,2]=4 75 B11R0.148 CCCCCCCCCC(=O)O CS-W016025 [0,1,0,0,0,0|0,0,0]=1 76 B11R0.148 CCCCCCCCCC(C)=O CS-W017685 [0,1,0,0,0,0|1,0,0]=2 77 B11R0.148 CCCCCCCCOC(C)=O CS-0008806 [0,1,0,0,0,0|1,0,0]=2 78 B11R0.148 CCCCCCC\C=C\C(=O)O CS-0534 [0,1,0,0,0,0|0,0,1]=2 79 B11R0.148 CCCCOCCOCC(C)O CS-1101941 [0,1,0,0,0,0|2,0,1]=4 80 B11R0.148 CCCCOCCOCC(C)O CS-1101942 [0,1,0,0,0,0|2,0,1]=4 81 B11R0.148 CCCCOCCOCC(C)O CS-1101944 [0,1,0,0,0,0|2,0,1]=4 82 B11R0.148 CCOCCOCCOC(C)=O CS-0132448 [0,1,0,0,0,0|3,0,0]=4 83 B11R0.148 COCCOCCOCC(=O)O CS-0046435 [0,1,0,0,0,0|2,0,0]=3 84 B11R0.148 NCCCCCCCCC(=O)O CS-0158369 [0,1,0,0,0,0|0,0,0]=1 85 B11R0.148 NCCOCCOCCC(=O)O CS-W020908 [0,1,0,0,0,0|2,0,0]=3 86 B11R0.148 O=C(O)CCCCCCCCBr CS-W007587 [0,1,0,0,0,0|0,0,0]=1 87 B11R0.148 O=C(O)CCCCCCCCO CS-W010763 [0,1,0,0,0,0|0,0,0]=1 88 B11R0.148 O=C(O)CCOCCOCCBr CS-0114615 [0,1,0,0,0,0|2,0,0]=3 89 B11R0.148 O=C(O)CCOCCOCCO CS-0086325 [0,1,0,0,0,0|2,0,0]=3 90 B11R0.148 O=C(O)CCOCCOCCS CS-0148621 [0,1,0,0,0,0|2,0,0]=3 91 B11R0.159 CCCCCCCCP(=O)(O)O CS-0152149 [0,1,0,0,0,0|1,0,0]=2 92 B11R0.159 CCCCCCCC[N+](C)(C)C CS-0152284 [0,1,0,0,0,0|3,0,0]=4 93 B11R0.159 CCCCCCCC[N+](C)(C)C CS-W015252 [0,1,0,0,0,0|3,0,0]=4 94 B11R0.159 CCCCCCCC[Si](C)(C)Cl CS-0213607 [0,1,0,0,0,0|2,1,0]=4 95 B11R0.176 CCOC(=O)CCCCC(=O)O CS-W020587 [0,1,0,0,0,0|1,0,1]=3 96 B11R1.27 CCCCCC1CCC(=O)O1 CS-W017997 [0,0,0,1,0,0|0,0,0]=1 97 B11R1.86 CC1CCCCC1CC(=O)O CS-0882279 [0,0,0,1,0,0|0,0,0]=1 98 B11R1.90 O=C(O)CCN1CCCC1=O CS-0147737 [0,0,0,1,0,0|2,0,1]=4 99 B11R1.91 O=C(O)CCC1CCCCC1 CS-W018002 [0,0,0,1,0,0|0,0,0]=1 100 B11R1.91 O=C(O)CCC1CCNCC1 CS-0012637 [0,0,0,1,0,0|1,0,0]=2 101 B11R1.91 O=C(O)CCN1CCCCC1 CS-W016221 [0,0,0,1,0,0|1,0,0]=2 102 B11R1.91 O=C(O)CCN1CCNCC1 CS-0266536 [0,0,0,1,0,0|2,0,0]=3 103 B11R1.91 O=C(O)CCN1CCOCC1 CS-0033769 [0,0,0,1,0,0|2,0,0]=3 104 B11R1.91 O=C(O)CCN1CCOCC1 CS-0071550 [0,0,0,1,0,0|2,0,0]=3 105 B11R1.91 O=C(O)COC1CCOCC1 CS-0197816 [0,0,0,1,0,0|2,0,0]=3 106 B11R1.91 O=C(O)\C=C\C1CCCCC1 CS-0031387 [0,0,0,1,0,0|0,0,2]=3 107 B11R1.99 CCCCCCCCC1CO1 CS-0204736 [0,0,0,1,0,0|1,0,1]=3 108 B11R1.172 O=C(O)CCCN1CCCC1 CS-0317086 [0,0,0,1,0,0|1,0,0]=2 109 B11R1.742 O=C(O)CC1CCCCCC1 CS-0137653 [0,0,0,1,0,0|0,0,0]=1 110 B11R1.742 O=C(O)CN1CCCCCC1 CS-0072006 [0,0,0,1,0,0|1,0,0]=2 111 B8R0.4 BrCCCCCCCBr CS-W010166 [2,0,0,0,0,0|2,0,0]=4 112 B8R0.4 C#CCCCCCCO CS-W008554 [2,0,0,0,0,0|0,0,2]=4 113 B8R0.4 C=CCCCCCCBr CS-W010733 [2,0,0,0,0,0|1,0,1]=4 114 B8R0.4 C=CCCCCCCO CS-0185603 [2,0,0,0,0,0|0,0,2]=4 115 B8R0.4 CCCCC#CCCO CS-0315148 [2,0,0,0,0,0|0,0,2]=4 116 B8R0.4 CCCCCCCC=O CS-0138976 [2,0,0,0,0,0|0,0,0]=2 117 B8R0.4 CCCCCCCCBr CS-0076039 [2,0,0,0,0,0|1,0,0]=3 118 B8R0.4 CCCCCCCCI CS-0188391 [2,0,0,0,0,0|1,0,0]=3 119 B8R0.4 CCCCCCCCN CS-0076038 [2,0,0,0,0,0|1,0,0]=3 120 B8R0.4 CCCCCCCCN CS-0179378 [2,0,0,0,0,0|1,0,0]=3 121 B8R0.4 CCCCCCCCO CS-0076037 [2,0,0,0,0,0|0,0,0]=2 122 B8R0.4 CCCCC\C=C\C=O CS-0200283 [2,0,0,0,0,0|0,0,2]=4 123 B8R0.4 CCCCC\C=C\CO CS-0152366 [2,0,0,0,0,0|0,0,2]=4 124 B8R0.4 CCCCOCCCN CS-0130475 [2,0,0,0,0,0|2,0,0]=4 125 B8R0.4 CCCCSCCCC CS-0255960 [2,0,0,0,0,0|1,0,1]=4 126 B8R0.4 NCCCCCCCN CS-W009537 [2,0,0,0,0,0|2,0,0]=4 127 B8R0.4 NCCCCCCCO CS-0088962 [2,0,0,0,0,0|1,0,0]=3 128 B8R0.4 NCCCOCCCO CS-0147757 [2,0,0,0,0,0|2,0,0]=4 129 B8R0.4 OCCCCCCCBr CS-W008425 [2,0,0,0,0,0|1,0,0]=3 130 B8R0.4 OCCCCCCCO CS-W013404 [2,0,0,0,0,0|1,0,0]=3 131 B8R0.4 OCCCNCCCO CS-0186731 [2,0,0,0,0,0|2,0,0]=4 132 B8R0.4 OCCCOCCCCl CS-0147762 [2,0,0,0,0,0|2,0,0]=4 133 B8R0.4 OCCCOCCCO CS-0131092 [2,0,0,0,0,0|2,0,0]=4 134 B8R0.7 C#CCCCCC(=O)O CS-0020150 [2,0,0,0,0,0|0,0,2]=4 135 B8R0.7 C=CCCCCC(=O)O CS-0097711 [2,0,0,0,0,0|0,0,2]=4 136 B8R0.7 CCCCCCB(O)O CS-W000880 [2,0,0,0,0,0|1,0,1]=4 137 B8R0.7 CCCCCCC(C)=O CS-W011125 [2,0,0,0,0,0|1,0,0]=3 138 B8R0.7 CCCCCCC(C)O CS-W011107 [2,0,0,0,0,0|1,0,1]=4 139 B8R0.7 CCCCCC[C@@H](C)O CS-0140572 [2,0,0,0,0,0|1,0,1]=4 140 B8R0.7 CCCCCC[C@H](C)O CS-0140577 [2,0,0,0,0,0|1,0,1]=4 141 B8R0.7 CCCCOCC(=O)O CS-0152080 [2,0,0,0,0,0|1,0,0]=3 142 B8R0.7 COCCOCC(=O)O CS-0084611 [2,0,0,0,0,0|2,0,0]=4 143 B8R0.7 COCCOCC(=O)O CS-0527879 [2,0,0,0,0,0|2,0,0]=4 144 B8R0.7 COCCOCC(=O)O CS-0527882 [2,0,0,0,0,0|2,0,0]=4 145 B8R0.7 NC(=O)CCCCCBr CS-0138401 [2,0,0,0,0,0|2,0,0]=4 146 B8R0.7 NCCCCCC(=O)O CS-2204 [2,0,0,0,0,0|1,0,0]=3 147 B8R0.7 NCCCCCC(N)=O CS-0137981 [2,0,0,0,0,0|2,0,0]=4 148 B8R0.7 O=C(O)CCCCCBr CS-W007559 [2,0,0,0,0,0|1,0,0]=3 149 B8R0.7 O=C(O)CCCCCCl CS-W018132 [2,0,0,0,0,0|1,0,0]=3 150 B8R0.7 O=C(O)CCCCCO CS-0158392 [2,0,0,0,0,0|1,0,0]=3 151 B8R0.7 O=C(O)CCCCC[O-] CS-0160664 [2,0,0,0,0,0|1,0,0]=3 152 B8R0.7 O=C(O)CCOCCBr CS-0107735 [2,0,0,0,0,0|2,0,0]=4 153 B8R0.7 O=C(O)CCOCCO CS-0066172 [2,0,0,0,0,0|2,0,0]=4 154 B8R0.7 O=C(O)CCOCCO CS-0528773 [2,0,0,0,0,0|2,0,0]=4 155 B8R0.7 O=C([O-])CCCCCO CS-0158395 [2,0,0,0,0,0|1,0,1]=4 156 B10R0.3 CCCC(=O)CCCC(=O)O CS-0323350 [1,1,0,0,0,0|0,0,1]=3 157 B10R0.3 CCOC(=O)CCCC(=O)O CS-0151584 [1,1,0,0,0,0|1,0,1]=4 158 B10R0.6 NCCCC[C@H](N)CC(=O)O CS-0201780 [1,1,0,0,0,0|1,0,0]=3 159 B10R0.55 COC(=O)CCCCC(=O)O CS-W017938 [1,1,0,0,0,0|1,0,1]=4 160 B10R0.74 C=CC(=O)OCCCCCC CS-0167366 [1,1,0,0,0,0|2,0,0]=4 161 B10R0.74 CCCCCC#CC(=O)OC CS-W014292 [1,1,0,0,0,0|0,0,2]=4 162 B10R0.74 CCCCCCCC(=O)NN CS-W002067 [1,1,0,0,0,0|1,0,0]=3 163 B10R0.74 CCCCCCCC(=O)NO CS-W001857 [1,1,0,0,0,0|0,0,0]=2 164 B10R0.74 CCCCCCCC(=O)OC CS-0128781 [1,1,0,0,0,0|0,0,0]=2 165 B10R0.74 CCCCCCCC(=O)O[Na] CS-W016055 [1,1,0,0,0,0|0,0,0]=2 166 B10R0.74 CCCCC\C=C\C(=O)OC CS-0097187 [1,1,0,0,0,0|0,0,2]=4 167 B10R0.74 COC(=O)CCCCCCBr CS-W004688 [1,1,0,0,0,0|1,0,0]=3 168 B10R0.74 COC(=O)CCCCCCN CS-W004807 [1,1,0,0,0,0|1,0,0]=3 169 B10R0.74 COC(=O)CCCCCCO CS-0059718 [1,1,0,0,0,0|1,0,0]=3 170 B10R0.75 CCCCCCC(N)C(=O)O CS-W016177 [1,1,0,0,0,0|0,0,0]=2 171 B10R0.75 CCCCCCC(O)C(=O)O CS-W016160 [1,1,0,0,0,0|0,0,0]=2 172 B10R0.75 CCCCCC[C@@H](N)C(=O)O CS-0152326 [1,1,0,0,0,0|0,0,0]=2 173 B10R0.75 N[C@@H](CSCCCO)C(=O)O CS-2479 [1,1,0,0,0,0|2,0,0]=4 174 B10R0.75 [C@H](N)(CCCCCC)C(=O)O CS-W006364 [1,1,0,0,0,0|0,0,0]=2 175 B10R0.78 CCCCC(C)CCC(=O)O CS-W010894 [1,1,0,0,0,0|0,0,0]=2 176 B10R0.97 CC(=O)CCCCCC(=O)O CS-0046839 [1,1,0,0,0,0|0,0,1]=3 177 B10R0.97 O=C(O)CCCCCC(=O)O CS-W019990 [1,1,0,0,0,0|1,0,1]=4 178 B10R0.1 CCCCCCC(O)CCC CS-0320716 [1,1,0,0,0,0|1,0,1]=4 179 B10R0.71 BrCCCCCCCCCBr CS-W020735 [1,1,0,0,0,0|1,0,1]=4 180 B10R0.71 C#CCCCCCCCCC CS-0206842 [1,1,0,0,0,0|1,0,1]=4 181 B10R0.71 C(C=O)=CCCCCCCC CS-W016267 [1,1,0,0,0,0|0,0,1]=3 182 B10R0.71 C=C=CCCCCCCCC CS-1014355 [1,1,0,0,0,0|1,0,0]=3 183 B10R0.71 C=CCCCCCCCCBr CS-W013154 [1,1,0,0,0,0|1,0,0]=3 184 B10R0.71 C=CCCCCCCCCO CS-0158001 [1,1,0,0,0,0|1,0,0]=3 185 B10R0.71 CCCCCCCCCCCl CS-W017386 [1,1,0,0,0,0|1,0,1]=4 186 B10R0.71 CCCCCCCCCCI CS-0196431 [1,1,0,0,0,0|1,0,1]=4 187 B10R0.71 CCCCCCCCCCN CS-W016217 [1,1,0,0,0,0|1,0,1]=4 188 B10R0.71 CCCCCCCCCCO CS-0015994 [1,1,0,0,0,0|0,0,1]=3 189 B10R0.71 ClCCCCCCCCCCl CS-W001919 [1,1,0,0,0,0|1,0,1]=4 190 B10R0.71 NCCCCCCCCCN CS-0158368 [1,1,0,0,0,0|1,0,1]=4 191 B10R0.71 NCCCCCCCCCO CS-0374982 [1,1,0,0,0,0|0,0,1]=3 192 B10R0.71 OCCCCCCCCCBr CS-B0284 [1,1,0,0,0,0|0,0,1]=3 193 B10R0.71 OCCCCCCCCCCl CS-0158372 [1,1,0,0,0,0|0,0,1]=3 194 B10R0.71 OCCCCCCCCCO CS-0008364 [1,1,0,0,0,0|0,0,1]=3 195 B10R0.71 OCCCCOCCCCO CS-0158348 [1,1,0,0,0,0|1,0,1]=4 196 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O CS-0666528 [0,2,0,0,0,0|1,0,1]=4 197 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O CS-0059465 [0,2,0,0,0,0|1,0,1]=4 198 B12R0.42 CC(C)NCCCC[C@H](N)C(=O)O CS-0823983 [0,2,0,0,0,0|1,0,0]=3 199 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O CS-0199424 [0,2,0,0,0,0|1,0,1]=4 200 B12R0.184 COC(=O)CCCCCCC(=O)O CS-W001958 [0,2,0,0,0,0|0,0,1]=3 201 B12R0.1 CCCCCCCCC(=O)OCC CS-0107002 [0,2,0,0,0,0|0,0,0]=2 202 B12R0.1 CCOC(=O)CCCCCCCBr CS-D1735 [0,2,0,0,0,0|1,0,0]=3 203 B12R0.183 COC(=O)CCCCCC(=O)OC CS-W001472 [0,2,0,0,0,0|1,0,1]=4 204 B12R0.248 C=C=C(C)CCCCCCCCC CS-1014372 [0,2,0,0,0,0|2,0,0]=4 205 B12R0.248 C=CCCCCCCCC(=O)OC CS-0197689 [0,2,0,0,0,0|0,0,1]=3 206 B12R0.248 CCCCCCCCCC(=O)NN CS-0318324 [0,2,0,0,0,0|1,0,0]=3 207 B12R0.248 CCCCCCCCCC(=O)OC CS-W016888 [0,2,0,0,0,0|0,0,0]=2 208 B12R0.248 CCCCCCCCCC(=O)O[Na] CS-0034995 [0,2,0,0,0,0|0,0,0]=2 209 B12R0.248 CCCCCCCCOC(=O)CN CS-W013080 [0,2,0,0,0,0|1,0,0]=3 210 B12R0.248 COC(=O)CCCCCCCCBr CS-0129031 [0,2,0,0,0,0|0,0,0]=2 211 B12R0.248 COC(=O)CCCCCCCCO CS-W016785 [0,2,0,0,0,0|0,0,0]=2 212 B12R0.248 COC(=O)CCOCCOCCO CS-0114948 [0,2,0,0,0,0|2,0,0]=4 213 B12R0.251 CCCCCCCCC(O)C(=O)O CS-0064248 [0,2,0,0,0,0|0,0,0]=2 214 B12R0.251 CCCCCCCC[C@H](N)C(=O)O CS-0182631 [0,2,0,0,0,0|0,0,0]=2 215 B12R0.276 CCOC(=O)CCCCC(=O)OC CS-0564556 [0,2,0,0,0,0|1,0,1]=4 216 B12R0.312 CCCCCCCCS(=O)(=O)O[Na] CS-0148405 [0,2,0,0,0,0|1,0,0]=3 217 B12R0.312 CCCCCCCCS(=O)(=O)O[Na] CS-W009316 [0,2,0,0,0,0|1,0,0]=3 218 B12R0.277 CCOC(=O)CCCCCC(=O)O CS-W016803 [0,2,0,0,0,0|0,0,1]=3 219 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] CS-0148395 [0,2,0,0,0,0|1,0,1]=4 220 B12R0.119 CCCCCCCCOS(=O)(=O)[O-] CS-0148659 [0,2,0,0,0,0|1,0,1]=4 221 B12R0.234 C#CCCCCCCCCC(=O)O CS-0160163 [0,2,0,0,0,0|0,0,0]=2 222 B12R0.234 C=CCCCCCCCCC(=O)O CS-4383 [0,2,0,0,0,0|0,0,0]=2 223 B12R0.234 CCCCCCCCCCC(=O)O CS-W004282 [0,2,0,0,0,0|0,0,0]=2 224 B12R0.234 CCCCCCCCOCC(=O)O CS-0147297 [0,2,0,0,0,0|0,0,0]=2 225 B12R0.234 NCCCCCCCCCC(=O)O CS-0158386 [0,2,0,0,0,0|0,0,0]=2 226 B12R0.234 NCCOCCOCCCC(=O)O CS-0114418 [0,2,0,0,0,0|1,0,0]=3 227 B12R0.234 O=C(O)CCCCCCCCCBr CS-W014097 [0,2,0,0,0,0|0,0,0]=2 228 B12R0.234 O=C(O)CCCCCCCCCO CS-D1134 [0,2,0,0,0,0|0,0,0]=2 229 B12R0.234 O=C(O)\C=C\CCCCCCCO CS-0016772 [0,2,0,0,0,0|0,0,1]=3 230 B12R0.234 O=C(O)\C=C\CCCCCCCO CS-0648816 [0,2,0,0,0,0|0,0,1]=3 231 B12R0.268 O=C(O)CCCCCCCC(=O)O CS-4316 [0,2,0,0,0,0|0,0,1]=3 232 B10R1.10 CCCC1CCCC(=O)O1 CS-W018288 [1,0,0,1,0,0|0,0,0]=2 233 B10R1.16 CCCCC1CCC(=O)O1 CS-W018278 [1,0,0,1,0,0|0,0,0]=2 234 B10R1.18 CC(=O)CC1CCCCC1 CS-0155063 [1,0,0,1,0,0|1,0,0]=3 235 B10R1.18 NC(=O)NC1CCCCC1 CS-0071301 [1,0,0,1,0,0|2,0,0]=4 236 B10R1.18 O=C(O)C=C1CCCCC1 CS-0196826 [1,0,0,1,0,0|0,0,2]=4 237 B10R1.18 O=C(O)CC1=CCCCC1 CS-W011031 [1,0,0,1,0,0|0,0,2]=4 238 B10R1.18 O=C(O)CC1CCCCC1 CS-W019439 [1,0,0,1,0,0|0,0,0]=2 239 B10R1.18 O=C(O)CC1CCCCN1 CS-0217095 [1,0,0,1,0,0|1,0,0]=3 240 B10R1.18 O=C(O)CC1CCCCO1 CS-0069618 [1,0,0,1,0,0|1,0,0]=3 241 B10R1.18 O=C(O)CC1CCCNC1 CS-0037060 [1,0,0,1,0,0|1,0,0]=3 242 B10R1.18 O=C(O)CC1CCCNC1 CS-W001896 [1,0,0,1,0,0|1,0,0]=3 243 B10R1.18 O=C(O)CC1CCCOC1 CS-0120163 [1,0,0,1,0,0|1,0,0]=3 244 B10R1.18 O=C(O)CC1CCNCC1 CS-W001879 [1,0,0,1,0,0|1,0,0]=3 245 B10R1.18 O=C(O)CC1CCNCC1 CS-W002877 [1,0,0,1,0,0|1,0,0]=3 246 B10R1.18 O=C(O)CC1CCOCC1 CS-W001906 [1,0,0,1,0,0|1,0,0]=3 247 B10R1.18 O=C(O)CC1CNCCO1 CS-0169448 [1,0,0,1,0,0|2,0,0]=4 248 B10R1.18 O=C(O)CC1CNCCO1 CS-W004631 [1,0,0,1,0,0|2,0,0]=4 249 B10R1.18 O=C(O)CC1COCCN1 CS-0042630 [1,0,0,1,0,0|2,0,0]=4 250 B10R1.18 O=C(O)CN1CCCCC1 CS-0067848 [1,0,0,1,0,0|1,0,0]=3 251 B10R1.18 O=C(O)CN1CCNCC1 CS-0072501 [1,0,0,1,0,0|2,0,0]=4 252 B10R1.18 O=C(O)CN1CCOCC1 CS-M2890 [1,0,0,1,0,0|2,0,0]=4 253 B10R1.18 O=C(O)CN1CCOCC1 CS-M2897 [1,0,0,1,0,0|2,0,0]=4 254 B10R1.18 O=C(O)C[C@H]1CNCCO1 CS-0155209 [1,0,0,1,0,0|2,0,0]=4 255 B10R1.18 OB(O)CC1CCCCC1 CS-W000907 [1,0,0,1,0,0|1,0,1]=4 256 B10R1.61 CC1CCCCC1C(=O)O CS-W018286 [1,0,0,1,0,0|0,0,0]=2 257 B10R1.61 CC1NCCCC1C(=O)O CS-0196596 [1,0,0,1,0,0|1,0,0]=3 258 B10R1.61 CN1CCCCC1C(=O)O CS-W021361 [1,0,0,1,0,0|1,0,0]=3 259 B10R1.61 CN1CCCC[C@@H]1C(=O)O CS-0030802 [1,0,0,1,0,0|1,0,0]=3 260 B10R1.61 CN1CCCC[C@H]1C(=O)O CS-W021154 [1,0,0,1,0,0|1,0,0]=3 261 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O CS-0131300 [1,0,0,1,0,0|1,0,0]=3 262 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O CS-0130250 [1,0,0,1,0,0|1,0,0]=3 263 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O CS-0131302 [1,0,0,1,0,0|1,0,0]=3 264 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O CS-0130601 [1,0,0,1,0,0|1,0,0]=3 265 B10R1.61 O=C(O)C1CCCCC1O CS-W006852 [1,0,0,1,0,0|1,0,0]=3 266 B10R1.61 [C@H]1(C(=O)O)NCCO[C@@H]1C CS-W007307 [1,0,0,1,0,0|2,0,0]=4 267 B10R1.66 O=C(O)CCC1CCCC1 CS-W018280 [1,0,0,1,0,0|0,0,0]=2 268 B10R1.66 O=C(O)CCC1OCCO1 CS-W004427 [1,0,0,1,0,0|2,0,0]=4 269 B10R1.66 O=C(O)CCN1CCCC1 CS-0035766 [1,0,0,1,0,0|1,0,0]=3 270 B10R1.78 O=C1CCCCCCCN1 CS-0090258 [1,0,0,1,0,0|1,0,0]=3 271 B10R1.348 O=C(O)C1CCC=CCC1 CS-0187346 [1,0,0,1,0,0|0,0,2]=4 272 B10R1.348 O=C(O)C1CCCCCC1 CS-W007921 [1,0,0,1,0,0|0,0,0]=2 273 B10R1.348 O=C(O)C1CCCCCN1 CS-0054144 [1,0,0,1,0,0|1,0,0]=3 274 B10R1.4 N#CCC1CCCCC1=O CS-0197222 [1,0,0,1,0,0|1,0,1]=4 275 B10R1.5 [C@@H]1(COC)CCCN1C=O CS-W011012 [1,0,0,1,0,0|2,0,0]=4 276 B10R1.17 BrCCCC1CCCCC1 CS-0256953 [1,0,0,1,0,0|1,0,1]=4 277 B10R1.17 NCCCC1CCCCC1 CS-0054184 [1,0,0,1,0,0|1,0,1]=4 278 B10R1.17 OCCCC1CCCCC1 CS-0186817 [1,0,0,1,0,0|0,0,1]=3 279 B10R1.17 OCCCC1CCCCN1 CS-0231857 [1,0,0,1,0,0|1,0,1]=4 280 B10R1.17 OCCCC1CCNCC1 CS-W002891 [1,0,0,1,0,0|1,0,1]=4 281 B10R1.17 OCCCN1CCCCC1 CS-M2498 [1,0,0,1,0,0|1,0,1]=4 282 B10R1.17 OCCNC1CCCCC1 CS-W016410 [1,0,0,1,0,0|1,0,1]=4 283 B10R1.17 OCCOC1CCCCC1 CS-0216198 [1,0,0,1,0,0|1,0,1]=4 284 B10R1.19 CCN1CCCCCC1=O CS-0999264 [1,0,0,1,0,0|1,0,0]=3 285 B10R1.20 OC[C@@H]1CCCC[C@H]1CO CS-0028229 [1,0,0,1,0,0|1,0,1]=4 286 B10R1.20 OC[C@H]1CCCC[C@@H]1CO CS-0135650 [1,0,0,1,0,0|1,0,1]=4 287 B10R1.20 OC[C@H]1CCCC[C@H]1CO CS-W016382 [1,0,0,1,0,0|1,0,1]=4 288 B10R1.29 CCCCN1CCCC1=O CS-W016436 [1,0,0,1,0,0|1,0,0]=3 289 B10R1.29 N#CCCC1CCCC1=O CS-0511196 [1,0,0,1,0,0|1,0,1]=4 290 B10R1.29 NCCCN1CCCC1=O CS-0071095 [1,0,0,1,0,0|2,0,0]=4 291 B10R1.29 O=C1CCCN1CCCO CS-W013319 [1,0,0,1,0,0|2,0,0]=4 292 B10R1.85 OCCN1CCCCCC1 CS-B0251 [1,0,0,1,0,0|1,0,1]=4 293 B10R1.161 OCC1CCCCCCC1 CS-0072541 [1,0,0,1,0,0|0,0,1]=3 294 B10R1.161 ON=C1CCCCCCC1 CS-0368253 [1,0,0,1,0,0|1,0,1]=4 295 B12R1.7 CCCCCCC1CCC(=O)O1 CS-W017696 [0,1,0,1,0,0|0,0,0]=2 296 B12R1.107 N[C@@H](CC(=O)O)C1CCCCC1 CS-0155341 [0,1,0,1,0,0|0,0,0]=2 297 B12R1.438 O=C(O)CN1CCCC(CO)C1 CS-0339220 [0,1,0,1,0,0|2,0,0]=4 298 B12R1.261 CC(=O)N1CCCCC1C(=O)O CS-0037902 [0,1,0,1,0,0|1,0,1]=4 299 B12R1.261 CC(C)N1CCNCC1C(=O)O CS-0654653 [0,1,0,1,0,0|2,0,0]=4 300 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O CS-0031455 [0,1,0,1,0,0|1,0,1]=4 301 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O CS-W010771 [0,1,0,1,0,0|1,0,1]=4 302 B12R1.261 [C@H]1(C(=O)O)CCCC[C@@H]1C(=O)O CS-W017609 [0,1,0,1,0,0|1,0,1]=4 303 B12R1.261 [C@H]1(C(=O)O)CCCC[C@H]1C(=O)O CS-W017612 [0,1,0,1,0,0|1,0,1]=4 304 B12R1.1 CCCCCC1CCC(=O)CC1 CS-W013233 [0,1,0,1,0,0|1,0,0]=3 305 B12R1.1 CCCCCC1CCC(O)CC1 CS-W017686 [0,1,0,1,0,0|1,0,1]=4 306 B12R1.27 COC(=O)CCN1CCNCC1 CS-0251008 [0,1,0,1,0,0|2,0,0]=4 307 B12R1.27 COC(=O)COC1CCNCC1 CS-0341267 [0,1,0,1,0,0|2,0,0]=4 308 B12R1.27 O=C(CCl)NCC1CCCCC1 CS-0145402 [0,1,0,1,0,0|2,0,0]=4 309 B12R1.365 COC(=O)C1CCCCCC1=O CS-0043401 [0,1,0,1,0,0|1,0,1]=4 310 B12R1.371 C=CC(=O)NC1CCCCC1C CS-0260580 [0,1,0,1,0,0|2,0,0]=4 311 B12R1.43 NC(CC1CCCCC1)C(=O)O CS-0155332 [0,1,0,1,0,0|0,0,0]=2 312 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O CS-0042555 [0,1,0,1,0,0|0,0,0]=2 313 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O CS-W002450 [0,1,0,1,0,0|0,0,0]=2 314 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O CS-0096723 [0,1,0,1,0,0|0,0,0]=2 315 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O CS-0197006 [0,1,0,1,0,0|0,0,0]=2 316 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O CS-B1050 [0,1,0,1,0,0|0,0,0]=2 317 B12R1.43 O=C(O)C(=O)NC1CCCCC1 CS-0312793 [0,1,0,1,0,0|1,0,1]=4 318 B12R1.43 O=C(O)[C@@H](O)CC1CCCCC1 CS-0433960 [0,1,0,1,0,0|0,0,0]=2 319 B12R1.54 O=C(O)CCC(=O)N1CCCC1 CS-0060801 [0,1,0,1,0,0|1,0,1]=4 320 B12R1.1009 CC1CCCC(C)N1CC(=O)O CS-0112812 [0,1,0,1,0,0|1,0,0]=3 321 B12R1.1343 O=C(O)CCN1CCCCCC1 CS-0445324 [0,1,0,1,0,0|0,0,0]=2 322 B12R1.21 CN1CCN(CCC(=O)O)CC1 CS-0205907 [0,1,0,1,0,0|2,0,0]=4 323 B12R1.368 COC(=O)[C@H]1CCC[C@H]1C(=O)O CS-M0977 [0,1,0,1,0,0|1,0,1]=4 324 B12R1.252 O=C(O)CCCC1CCCCC1 CS-0155329 [0,1,0,1,0,0|0,0,0]=2 325 B12R1.252 O=C(O)CCCC1CCNCC1 CS-W015257 [0,1,0,1,0,0|0,0,0]=2 326 B12R1.252 O=C(O)\C=C\CN1CCCCC1 CS-0120306 [0,1,0,1,0,0|0,0,2]=4 327 B12R1.28 CCCCCC1CCCC(=O)O1 CS-W017695 [0,1,0,1,0,0|0,0,0]=2 328 B12R1.255 O=C(O)CCCCC1CCSS1 CS-4370 [0,1,0,1,0,0|1,0,0]=3 329 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 CS-5076 [0,1,0,1,0,0|1,0,0]=3 330 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 CS-W015306 [0,1,0,1,0,0|1,0,0]=3 331 B12R2.24 O=C1CCC2CCCCC2O1 CS-0063175 [0,0,0,2,0,0|0,0,0]=2 332 B12R2.5121 O=C1CCOC2(CCCC2)C1 CS-0050151 [0,0,0,2,0,0|2,0,0]=4 333 B12R2.375 CO[C@H]1OC[C@@H]2OC(=O)C[C@H]12 CS-0150981 [0,0,0,2,0,0|2,0,0]=4 334 B12R2.2918 O=C1CC2(CCCCC2)CN1 CS-0096868 [0,0,0,2,0,0|2,0,0]=4 335 B12R2.2918 O=C1CCC2(CCNCC2)N1 CS-0052717 [0,0,0,2,0,0|2,0,0]=4 336 B12R2.2918 O=C1CCC2(CCNCC2)O1 CS-B0200 [0,0,0,2,0,0|1,0,0]=3 337 B12R2.2918 O=C1COC2(CCCCC2)O1 CS-0317774 [0,0,0,2,0,0|1,0,0]=3 338 B12R2.1392 O=C(O)C1CC2CCN1CC2 CS-0005671 [0,0,0,2,0,0|1,0,0]=3 339 B12R2.2028 O=C1OC(=O)C2CCCCC12 CS-0180966 [0,0,0,2,0,0|1,0,1]=4 340 B12R2.2028 O=C1OC(=O)C2CCCCC12 CS-W018047 [0,0,0,2,0,0|1,0,1]=4 341 B12R2.2028 O=C1OC(=O)[C@@H]2CCCC[C@@H]12 CS-0155411 [0,0,0,2,0,0|1,0,1]=4 342 B12R2.2028 [C@H]12CCCC[C@H]1C(=O)OC2=O CS-W018042 [0,0,0,2,0,0|1,0,1]=4 343 B12R2.250 O=C(O)C1CC12CCCCC2 CS-0055830 [0,0,0,2,0,0|0,0,0]=2