Mercurial > repos > recetox > rem_complex
view test-data/sample_output.inchi @ 1:e0ca9dfcdb18 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/rem_complex commit ad718c989f31829edc89e039e56644a95dab6791
author | recetox |
---|---|
date | Fri, 01 Dec 2023 10:24:50 +0000 |
parents | a0e07a0bc047 |
children |
line wrap: on
line source
InChI=1S/C13H14O/c1-13(10-14)9-12(13)8-7-11-5-3-2-4-6-11/h2-6,12,14H,9-10H2,1H3/t12-,13-/m0/s1 InChI=1S/C34H54O4/c1-21(2)24-12-17-34(20-37-22(3)35)19-18-32(8)25(29(24)34)10-11-27-31(7)15-14-28(38-23(4)36)30(5,6)26(31)13-16-33(27,32)9/h24-29H,1,10-20H2,2-9H3/t24-,25+,26-,27+,28-,29+,31-,32+,33+,34+/m0/s1 InChI=1S/C11H15NO2S/c1-9-2-4-10(5-3-9)15-7-6-12-8-11(13)14/h2-5,12H,6-8H2,1H3,(H,13,14) InChI=1S/C12H16N2O2S/c1-12(7-15)8-17-11(14-12)13-9-3-5-10(16-2)6-4-9/h3-6,15H,7-8H2,1-2H3,(H,13,14) InChI=1S/C23H17F3N2O/c24-23(25,26)22-19(16-10-4-1-5-11-16)20(21(29)17-12-6-2-7-13-17)28(27-22)18-14-8-3-9-15-18/h1-15,19-20H/t19-,20+/m1/s1 InChI=1S/C15H24O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h4,8,10,13-16H,5-7,9H2,1-3H3/t13-,14+,15-/m0/s1 InChI=1S/C17H28NO6P/c1-13(2)23-25(21,24-14(3)4)18(12-17(19)20)11-10-15-6-8-16(22-5)9-7-15/h6-9,13-14H,10-12H2,1-5H3,(H,19,20) InChI=1S/C19H27NO/c1-3-19-11-7-13-20(18(19)14-17(21)10-12-19)15(2)16-8-5-4-6-9-16/h4-6,8-9,15,18H,3,7,10-14H2,1-2H3/t15-,18-,19+/m0/s1 InChI=1S/C22H36O5/c1-14(23)9-10-18-21(6)12-8-11-20(4,5)19(21)17(26-15(2)24)13-22(18,7)27-16(3)25/h17-19H,8-13H2,1-7H3/t17-,18+,19-,21+,22+/m0/s1 InChI=1S/C13H20O2/c1-9-7-8-13(15-9,12(4,5)6)10(2)11(3)14/h7-9H,2H2,1,3-6H3/t9-,13+/m0/s1 InChI=1S/C15H18O3/c1-10-13(8-15-12(16)7-14(10)18-15)17-9-11-5-3-2-4-6-11/h2-6,10,13-15H,7-9H2,1H3/t10-,13+,14-,15-/m1/s1