0 B12R1.28 CCCCCC1CCCC(=O)O1 PI-25804 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.28 C1CCOC(C1)OCCCBr PI-47087 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.28 C1CCOC(C1)OCCCCl PI-49450 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.28 OCCCCC1CCCCC1 PI-17588 [1,0,0,0,0,0|2,0,1]=4 4 B11R0.4 CCCCCC#CC(=O)OCC PI-19036 [0,0,1,0,0,0|2,0,1]=4 5 B11R0.4 CCOC(=O)CCCCCCBr PI-19404 [0,0,1,0,0,0|3,0,0]=4 6 B11R0.4 O=C(OCC)CCCCCCN PI-40332 [0,0,1,0,0,0|3,0,0]=4 7 B11R0.140 CCCCCC(CCCCC)O PI-47218 [0,0,1,0,0,0|1,0,1]=3 8 B11R0.148 BrCCCCCCCCC(=O)O PI-29582 [0,0,1,0,0,0|1,0,0]=2 9 B11R0.148 CCCCCCCC=CC(=O)O PI-40909 [0,0,1,0,0,0|0,0,2]=3 10 B11R0.148 CCCCCCCCNC(=S)N PI-14651 [0,0,1,0,0,0|2,1,0]=4 11 B11R0.148 CCCCCCC\C=C\C(O)=O PI-37211 [0,0,1,0,0,0|0,0,2]=3 12 B11R0.148 CCCCCC\C=C\CC(O)=O PI-37094 [0,0,1,0,0,0|0,0,2]=3 13 B10R0.1 BrCCCCCC(=O)OCC PI-21505 [1,0,1,0,0,0|2,0,0]=4 14 B10R0.1 CCOC(=O)CCCCCO PI-45932 [1,0,1,0,0,0|2,0,0]=4 15 B10R0.71 BrCCCCCCCCC=C PI-39247 [1,0,1,0,0,0|2,0,0]=4 16 B10R0.71 C(CCCCO)CCCCO PI-44645 [1,0,1,0,0,0|1,0,1]=4 17 B10R0.71 CCCCCC=CCCC=O PI-20940 [1,0,1,0,0,0|0,0,2]=4 18 B10R0.71 CCCCCCCCCCF PI-23565 [1,0,1,0,0,0|1,0,1]=4 19 B10R0.71 CCCCCCCCCCN PI-40487 [1,0,1,0,0,0|1,0,1]=4 20 B10R0.71 CCCCCCCCN=C=O PI-11406 [1,0,1,0,0,0|1,0,1]=4 21 B10R0.71 OCCCCCCCCCBr PI-38637 [1,0,1,0,0,0|1,0,1]=4 22 B10R0.74 CCCCCCOC(=O)CN PI-15958 [1,0,1,0,0,0|1,0,0]=3 23 B10R0.87 CC(=O)OC(CCCBr)CBr PI-25318 [1,0,1,0,0,0|2,0,0]=4 24 B10R0.4 B(CCCCCCCC)(O)O PI-25412 [1,0,1,0,0,0|1,0,1]=4 25 B10R0.4 BrCCCCCCCC(=O)O PI-14490 [1,0,1,0,0,0|1,0,0]=3 26 B10R0.4 C(CCCC(=O)O)CCCO PI-20834 [1,0,1,0,0,0|1,0,0]=3 27 B10R0.4 CCCCCCCCC(=O)[O-] PI-46868 [1,0,1,0,0,0|0,0,1]=3 28 B10R0.4 CCCCCCCCC(=O)[O-] PI-47228 [1,0,1,0,0,0|0,0,1]=3 29 B10R0.4 NCCCCCCCC(=O)O PI-24013 [1,0,1,0,0,0|1,0,0]=3 30 B12R0.4 CCCCCCCC(=O)CC(C)C PI-42689 [0,1,1,0,0,0|1,0,0]=3 31 B12R0.184 O=C(OC)CCCCCCC(O)=O PI-37232 [0,1,1,0,0,0|1,0,1]=4 32 B12R0.234 C#CCCCCCCCCC(=O)O PI-47215 [0,1,1,0,0,0|0,0,1]=3 33 B12R0.234 C(CCCC=CC(=O)O)CCCO PI-39050 [0,1,1,0,0,0|0,0,2]=4 34 B12R0.234 CCCCCCCCCCC(=O)Cl PI-43373 [0,1,1,0,0,0|1,0,0]=3 35 B12R0.248 CCCCCCCCOC(=O)CN PI-15959 [0,1,1,0,0,0|2,0,0]=4 36 B12R0.248 OCCCCCCCCC(=O)OC PI-29501 [0,1,1,0,0,0|1,0,0]=3 37 B12R0.251 CCCCCCCCC(C(=O)O)Br PI-26359 [0,1,1,0,0,0|0,0,0]=2 38 B12R1.7 CCCCCCC1CCC(=O)O1 PI-19854 [0,1,0,0,1,0|0,0,0]=2 39 B12R1.255 C1CSSC1CCCCC(=O)O PI-14327 [0,0,1,1,0,0|2,0,0]=4 40 B12R1.255 OC(=O)CCCC[C@H]1SSCC1 PI-16001 [0,0,1,1,0,0|2,0,0]=4 41 B12R2.375 COC1C2CC(=O)OC2CO1 PI-44466 [0,0,0,1,1,0|2,0,0]=4 42 B12R2.375 COC1C2CC(=O)OC2CO1 PI-44467 [0,0,0,1,1,0|2,0,0]=4 43 B12R2.2918 C1CCC2(CC1)CC(=O)NC2 PI-16814 [0,0,0,1,1,0|2,0,0]=4 44 B10R1.29 CCCCN1CCCC1=O PI-50565 [1,0,0,0,1,0|1,0,0]=3 45 B10R1.29 NCCCN1CCCC1=O PI-17919 [1,0,0,0,1,0|2,0,0]=4