0 B21R1.107254 C#CCOCCOCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-3488997041 [0,0,0,0,0,0|2,0,2]=4 1 B21R1.107254 CCCCCCCCCOC1OC(C(C(C1O)O)O)CO MCULE-9979156146 [0,0,0,0,0,0|0,0,0]=0 2 B21R1.107254 CCCCCCCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-3558642394 [0,0,0,0,0,0|0,0,0]=0 3 B21R1.107254 CCCCCCCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-5115555672 [0,0,0,0,0,0|0,0,0]=0 4 B21R1.107254 CCCCCCCCCSC1OC(C(C(C1O)O)O)CO MCULE-5748908506 [0,0,0,0,0,0|0,1,0]=1 5 B21R1.107254 CCCCCCCCCS[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-5215606256 [0,0,0,0,0,0|0,1,0]=1 6 B20R1.17332 CCCCCCCCOC1OC(C(C(C1O)O)O)CO MCULE-2019552419 [1,0,0,0,0,0|0,0,0]=1 7 B20R1.17332 CCCCCCCCOC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-2851684857 [1,0,0,0,0,0|0,0,0]=1 8 B20R1.17332 CCCCCCCCOC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-8793059759 [1,0,0,0,0,0|0,0,0]=1 9 B20R1.17332 CCCCCCCCO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-4407100556 [1,0,0,0,0,0|0,0,0]=1 10 B20R1.17332 CCCCCCCCO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-5008327640 [1,0,0,0,0,0|0,0,0]=1 11 B20R1.17332 CCCCCCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO MCULE-3632548885 [1,0,0,0,0,0|0,0,0]=1 12 B20R1.17332 CCCCCCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-2215255114 [1,0,0,0,0,0|0,0,0]=1 13 B20R1.17332 CCCCCCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-9090233102 [1,0,0,0,0,0|0,0,0]=1 14 B20R1.17332 CCCCCCCCO[C@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-1041392992 [1,0,0,0,0,0|0,0,0]=1 15 B20R1.17332 CCCCCCCCO[C@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-1541302607 [1,0,0,0,0,0|0,0,0]=1 16 B20R1.17332 CCCCCCCCO[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO MCULE-4144279026 [1,0,0,0,0,0|0,0,0]=1 17 B20R1.17332 CCCCCCCCO[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO MCULE-9306934635 [1,0,0,0,0,0|0,0,0]=1 18 B20R1.17332 CCCCCCCCO[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-5075824332 [1,0,0,0,0,0|0,0,0]=1 19 B20R1.17332 CCCCCCCCSC1OC(C(C(C1O)O)O)CO MCULE-3089654029 [1,0,0,0,0,0|0,1,0]=2 20 B20R1.17332 CCCCCCCCS[C@@H]1OC([C@H]([C@H](C1O)O)O)CO MCULE-9330950664 [1,0,0,0,0,0|0,1,0]=2 21 B20R1.17332 CCCCCCCCS[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-4954452189 [1,0,0,0,0,0|0,1,0]=2 22 B20R1.17332 CCCCCCCCS[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-1289096435 [1,0,0,0,0,0|0,1,0]=2 23 B20R1.17332 CCCCCCCCS[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-3364003892 [1,0,0,0,0,0|0,1,0]=2 24 B22R1.327469 CCCCCCCCCCOC1OC(C(C(C1O)O)O)CO MCULE-8296703800 [0,1,0,0,0,0|0,0,0]=1 25 B22R1.327469 CCCCCCCCCCOC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-7656840532 [0,1,0,0,0,0|0,0,0]=1 26 B22R1.327469 CCCCCCCCCCOC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-8421104500 [0,1,0,0,0,0|0,0,0]=1 27 B22R1.327469 CCCCCCCCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-3375113634 [0,1,0,0,0,0|0,0,0]=1 28 B22R1.327469 CCCCCCCCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-9858670436 [0,1,0,0,0,0|0,0,0]=1 29 B22R1.327469 CCCCCCCCCCSC1OC(C(C(C1O)O)O)CO MCULE-4675408696 [0,1,0,0,0,0|0,1,0]=2 30 B22R1.327469 CCCCCCCCCCS[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-4364656283 [0,1,0,0,0,0|0,1,0]=2 31 B22R2.18249 OCC1OC(C(C(C1O)O)O)OCCCC2CCCCC2 MCULE-6618559113 [0,0,0,1,0,0|0,0,0]=1 32 B22R2.18249 OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OCCCC2CCCCC2 MCULE-4981587897 [0,0,0,1,0,0|0,0,0]=1 33 B19R0.23019 CCCCCCCCNCC(O)C(O)C(O)C(O)CO MCULE-7183452131 [1,0,1,0,0,0|1,0,0]=3 34 B19R0.23019 CCCCCCCCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-2512417173 [1,0,1,0,0,0|1,0,0]=3 35 B19R0.23019 CCCCCCCCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-7838877474 [1,0,1,0,0,0|1,0,0]=3 36 B19R1.53618 CCCCCCCOC1OC(C(C(C1O)O)O)CO MCULE-9313246034 [2,0,0,0,0,0|0,0,0]=2 37 B19R1.53618 CCCCCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-6043319750 [2,0,0,0,0,0|0,0,0]=2 38 B19R1.53618 CCCCCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-6899785533 [2,0,0,0,0,0|0,0,0]=2 39 B19R1.53618 CCCCCCCSC1OC(C(C(C1O)O)O)CO MCULE-2029113652 [2,0,0,0,0,0|0,1,0]=3 40 B19R1.53618 CCCCCCCS[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-7647913602 [2,0,0,0,0,0|0,1,0]=3 41 B21R1.18555 CCCCCCCCOC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O MCULE-3160328855 [1,1,0,0,0,0|0,0,1]=3 42 B21R1.96294 CCCCC[C@@H](O)CCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-2441948198 [1,1,0,0,0,0|0,0,0]=2 43 B21R1.96294 CCCCC[C@@H](O)CCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-9980594808 [1,1,0,0,0,0|0,0,0]=2 44 B21R1.313556 CCCCCCCC(=O)NC1OC(C(C(C1O)O)O)CO MCULE-6000769388 [1,1,0,0,0,0|1,0,1]=4 45 B21R1.313556 CCCCCCCC(=O)OC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-8750490542 [1,1,0,0,0,0|0,0,1]=3 46 B23R1.44660 O=C(O)CCCCCCCCOC1OC(C(C(C1O)O)O)CO MCULE-5908845653 [0,2,0,0,0,0|0,0,1]=3 47 B23R1.195136 CCCCCCCCCCCOC1OC(C(C(C1O)O)O)CO MCULE-9152514860 [0,2,0,0,0,0|0,0,0]=2 48 B23R1.195136 CCCCCCCCCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-2285774115 [0,2,0,0,0,0|0,0,0]=2