0 B11R1.27 CCCCC[C@H]1CCC(=O)O1 025189S [0,1,0,0,0,0|0,0,0]=1 1 B11R1.230 CCCC[C@@H]1NC(=O)OC1=O 19-1601 [0,1,0,0,0,0|2,0,1]=4 2 B9R0.2 CCCCCCCC(=O)O 10-0800 [0,0,1,0,0,0|0,0,0]=1 3 B9R0.2 CCCCCCCC(=O)O 71-0802 [0,0,1,0,0,0|0,0,0]=1 4 B9R0.2 CCCCCCC[C@H](C)O 023159S [0,0,1,0,0,0|1,0,1]=3 5 B9R0.2 CCCCCCOC(C)=O 023275S [0,0,1,0,0,0|2,0,0]=3 6 B9R0.2 [N-]=[N+]=NCCCCC(=O)O 08-4663 [0,0,1,0,0,0|3,0,0]=4 7 B9R0.46 CCCCCCC(=O)OC 20-0700 [0,0,1,0,0,0|2,0,0]=3 8 B9R0.46 COC(=O)CCCCCBr 19-614 [0,0,1,0,0,0|3,0,0]=4 9 B11R2.1 O=C1NC[C@@H]2CCNC[C@H]12 08-7794 [0,0,0,1,0,0|3,0,0]=4 10 B11R1.24 CCCC[C@H]1CCCC(=O)O1 025190S [0,0,0,0,0,1|0,0,0]=1 11 B8R0.4 CCCCCCCCC 05-0900 [1,0,1,0,0,0|1,0,1]=4 12 B8R0.4 CCCCCCCCF 09-3528 [1,0,1,0,0,0|1,0,1]=4 13 B8R0.4 CCCCCCCCO 40-0800 [1,0,1,0,0,0|0,0,1]=3 14 B8R0.7 CCCCCCB(O)O 08-788 [1,0,1,0,0,0|1,0,1]=4 15 B8R0.7 CCCCCCC(=O)O 10-0700 [1,0,1,0,0,0|0,0,0]=2 16 B8R0.7 CCCCCCC(C)=O 023294S [1,0,1,0,0,0|1,0,0]=3 17 B8R0.6 CCCCCC(=O)CC 025222S [1,0,1,0,0,0|0,0,0]=2 18 B8R0.6 CCCCCC(=O)OC 20-0600 [1,0,1,0,0,0|1,0,0]=3 19 B8R0.6 CCCCC[C@@H](O)CC 023170S [1,0,1,0,0,0|0,0,2]=4 20 B8R0.6 CCCCOC(=O)CF 26-325 [1,0,1,0,0,0|1,0,0]=3 21 B8R1.1 O=C1CC[C@H](CO)N1 020980S [2,0,0,0,0,0|2,0,0]=4 22 B8R1.1 O=C1CC[C@H](CO)N1 04-2405 [2,0,0,0,0,0|2,0,0]=4 23 B8R1.8 NCC[C@H]1CCCO1 08-5690 [2,0,0,0,0,0|1,0,1]=4 24 B10R0.4 CCCCCCCCB(O)O 08-1232 [0,1,1,0,0,0|1,0,1]=4 25 B10R0.4 CCCCCCCCC(=O)O 10-0900 [0,1,1,0,0,0|0,0,0]=2 26 B10R0.4 CCCCCCCOC(C)=O 025142S [0,1,1,0,0,0|1,0,0]=3 27 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O 08-4664 [0,1,1,0,0,0|2,0,0]=4 28 B10R0.6 CCCCC[C@H](O)CC(=O)O 14-0803 [0,1,1,0,0,0|0,0,0]=2 29 B10R0.55 COC(=O)CCCCC(=O)O CS-715 [0,1,1,0,0,0|1,0,1]=4 30 B10R0.74 CCCCCCCC(=O)OC 20-0800 [0,1,1,0,0,0|0,0,0]=2 31 B10R0.75 CCCCCC[C@H](O)C(=O)O 14-0802 [0,1,1,0,0,0|0,0,0]=2 32 B10R0.78 CCCCC(=O)NCC(=O)O 41-0503 [0,1,1,0,0,0|1,0,1]=4 33 B10R0.97 O=C(O)CCCCCC(=O)O 15-0700 [0,1,1,0,0,0|1,0,1]=4 34 B12R1.7 CCCCCC[C@H]1CCC(=O)O1 025167S [0,2,0,0,0,0|0,0,0]=2 35 B10R1.18 O=C(Cl)CC1CCOCC1 08-10197 [0,0,1,1,0,0|2,0,0]=4 36 B10R1.18 O=C(O)CC1CCNCC1 08-7931 [0,0,1,1,0,0|1,0,0]=3 37 B10R1.18 O=C(O)CC1CCOCC1 08-5645 [0,0,1,1,0,0|1,0,0]=3 38 B10R1.18 OB(O)CC1CCCCC1 08-1333 [0,0,1,1,0,0|1,0,1]=4 39 B10R1.348 O=C(O)[C@H]1CCCNCC1 08-9712 [0,0,1,1,0,0|1,0,0]=3 40 B12R2.5121 O=C1N[C@]2(CCNC2)CCO1 08-8084 [0,0,0,1,0,1|2,0,0]=4 41 B12R2.2918 O=C1CC2(CCNCC2)CN1 08-3969 [0,1,0,1,0,0|2,0,0]=4 42 B8R0.8 CCCC[C@H](N)C(=O)O 025863 [0,0,1,0,1,0|2,0,0]=4 43 B8R0.8 CCCC[C@H](N)C(=O)O 24-1855 [0,0,1,0,1,0|2,0,0]=4 44 B8R0.8 CCCC[C@H](N)C(=O)O 25-080 [0,0,1,0,1,0|2,0,0]=4 45 B8R0.8 CCCC[C@H](N)C(N)=O 04-2195 [0,0,1,0,1,0|2,0,0]=4