0 B11R0.148 C#CCCCCCCCC(=O)O AT18721 [0,0,0,0,0,0|1,0,2]=3 1 B11R0.148 CCCC\C=C/CCOC(C)=O D93562 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.148 NCCCCCCCCC(=O)O D94864 [0,0,0,0,0,0|2,0,0]=2 3 B11R0.148 O=C(O)CCOCCOCCBr S10585 [0,0,0,0,0,0|4,0,0]=4 4 B10R0.4 CC(=O)NCCCCCCN D93510 [1,0,0,0,0,0|2,0,0]=3 5 B10R0.4 O=C(O)CCCCCCCO S10749 [1,0,0,0,0,0|2,0,0]=3 6 B12R0.4 CCCCCCC[C@H](O)CC(=O)O A10886 [0,1,0,0,0,0|1,0,0]=2 7 B12R0.119 CCCCCCCCOP(=O)(O)O N11880 [0,1,0,0,0,0|3,0,0]=4 8 B12R0.233 CCCCCC(=O)CCCC(=O)O Y13481 [0,1,0,0,0,0|1,0,1]=3 9 B12R0.234 C=CCCCCCCCCC(=O)[O-] C75615 [0,1,0,0,0,0|1,0,1]=3 10 B12R0.234 CC(=O)NCCCNCCCCN 28022 [0,1,0,0,0,0|2,0,0]=3 11 B12R0.234 CCCCCCCCCCC(N)=O Y14687 [0,1,0,0,0,0|1,0,0]=2 12 B12R0.234 COCCOCCOCCC(=O)O W13677 [0,1,0,0,0,0|3,0,0]=4 13 B12R0.248 COC(=O)CCCCCCCC=O S10595 [0,1,0,0,0,0|1,0,1]=3 14 B12R0.251 CCCCCCCC[C@H](N)C(=O)O W18677 [0,1,0,0,0,0|1,0,0]=2 15 B12R0.268 CC(C)CCCCCCCC(=O)O A11263 [0,1,0,0,0,0|1,0,0]=2 16 B12R0.268 NC(=O)CCCCCCCC(=O)O D97249 [0,1,0,0,0,0|2,0,1]=4 17 B12R0.277 CCOC(=O)CCCCCC(=O)Cl T70303 [0,1,0,0,0,0|2,0,1]=4 18 B12R0.277 CCOC(=O)CCCCCC(C)=O A11116 [0,1,0,0,0,0|1,0,1]=3 19 B12R1.141 O=C1CCCCCCCC(=O)O1 F16497 [0,0,0,1,0,0|2,0,1]=4 20 B12R1.252 O=C(O)CCO[C@@H]1CCCCO1 AC3248 [0,0,0,1,0,0|3,0,0]=4 21 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 AC7875 [0,0,0,1,0,0|3,0,0]=4 22 B12R1.1343 O=C(O)CCN1CCCCCC1 D82188 [0,0,0,1,0,0|2,0,0]=3 23 B9R0.2 CCCCCCCC(=O)[O-] F12023 [2,0,0,0,0,0|1,0,0]=3 24 B9R0.45 CCCCOCCCCO S11917 [2,0,0,0,0,0|1,0,1]=4 25 B11R0.30 CC(=O)CCCCCCC(C)=O C73196 [1,1,0,0,0,0|0,0,1]=3 26 B11R0.40 COC(=O)CCCCCCC#N D93832 [1,1,0,0,0,0|1,0,1]=4 27 B11R0.40 COC(=O)CCCCCCC=O D94271 [1,1,0,0,0,0|1,0,1]=4 28 B11R0.40 COC(=O)CCCCCCCBr D94848 [1,1,0,0,0,0|1,0,0]=3 29 B11R0.42 CCCCCCC[C@H](N)C(=O)O W18676 [1,1,0,0,0,0|1,0,0]=3 30 B11R0.3 CCCCCCCCCCNC A11532 [1,1,0,0,0,0|0,0,1]=3 31 B11R0.3 CCCCCCCCSCCO A10652 [1,1,0,0,0,0|0,0,2]=4 32 B11R0.3 CNCCCCCCCCNC D93197 [1,1,0,0,0,0|1,0,0]=3 33 B11R0.4 CCOC(=O)CCCCCC=O N10484 [1,1,0,0,0,0|1,0,1]=4 34 B13R0.201 COC(=O)CCCCCCC(=O)OC D91828 [0,2,0,0,0,0|1,0,1]=4 35 B13R0.54 C=CCCCCCCCCCC(=O)O I12075 [0,2,0,0,0,0|1,0,0]=3 36 B13R0.54 O=C(O)CCCCCCCCCCCl D86287 [0,2,0,0,0,0|1,0,0]=3 37 B13R0.147 COC(=O)CCCCCCCCC=O F19637 [0,2,0,0,0,0|0,0,1]=3 38 B13R0.179 CC(=O)CCCCCCCCC(C)=O D93558 [0,2,0,0,0,0|0,0,0]=2 39 B11R1.86 CN1CCCC[C@@H]1CC(=O)O 33486 [1,0,0,1,0,0|2,0,0]=4 40 B11R1.28 OCCCCC1CCCCC1 F53310 [1,0,0,1,0,0|0,0,2]=4 41 B13R1.55 CCCCC[C@H]1CC(=O)C=C(O)C1 Y10179 [0,1,0,1,0,0|0,0,2]=4 42 B13R1.337 O=C(O)CCCCN1CCCCC1 D80932 [0,1,0,1,0,0|1,0,0]=3 43 B13R1.6268 CS(=O)(=O)OCC1CCCCCC1 W15867 [0,1,0,1,0,0|2,0,0]=4 44 B13R1.9 CCCCCCC1CCC(=O)CC1 W17270 [0,1,0,1,0,0|0,0,0]=2 45 B13R1.546 COC(=O)[C@@H]1CCCCCCC1=O 33748 [0,1,0,1,0,0|1,0,1]=4 46 B13R1.6192 N[C@@H](CC1CCCCCC1)C(=O)O P20260 [0,1,0,1,0,0|1,0,0]=3 47 B13R2.11128 O=C1CC2(CCNCC2)CCN1 O10929 [0,0,0,2,0,0|2,0,0]=4 48 B13R2.11128 O=C1CC2(CCNCC2)CCN1 P18363 [0,0,0,2,0,0|2,0,0]=4 49 B13R2.11128 O=C1CCCC2(CCNCC2)N1 P10895 [0,0,0,2,0,0|2,0,0]=4 50 B13R2.1287 CC(=O)O[C@H]1CN2CCC1CC2 C10638 [0,0,0,2,0,0|2,0,0]=4 51 B13R2.1287 O=C(O)C[C@H]1CN2CCC1CC2 P18796 [0,0,0,2,0,0|2,0,0]=4 52 B13R2.435 O=C(O)C1C[C@@H]2CCCC[C@@H]2N1 D84327 [0,0,0,2,0,0|2,0,0]=4 53 B13R2.435 O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1 FD7165 [0,0,0,2,0,0|2,0,0]=4 54 B13R2.435 O=C(O)[C@H]1C[C@@H]2CCCC[C@@H]2N1 F15048 [0,0,0,2,0,0|2,0,0]=4