Mrv1652309072207182D 17 18 0 0 1 0 999 V2000 1.2564 1.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2564 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2564 -0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2564 -1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9239 -1.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6689 -2.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8439 -2.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -2.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6139 -3.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0535 -4.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7209 -3.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5056 -3.9818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6771 -4.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1187 -3.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9033 -3.6847 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 -2.9422 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -1.4901 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 3 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 11 16 1 0 0 0 0 8 16 1 0 0 0 0 7 17 1 0 0 0 0 4 17 1 0 0 0 0 M END > NP0244498 > NP-MRD > CC#CC1=CC=C(S1)C1=CC=C(S1)[C@@H](O)CCl > InChI=1S/C13H11ClOS2/c1-2-3-9-4-5-12(16-9)13-7-6-11(17-13)10(15)8-14/h4-7,10,15H,8H2,1H3/t10-/m0/s1 > IGVMEXFYGCEVQU-JTQLQIEISA-N > C13H11ClOS2 > 282.8 > 281.993985 > 1 > 28 > 30.33571527156844 > 1 > 1 > 0 > 1 > (1R)-2-chloro-1-[5'-(prop-1-yn-1-yl)-[2,2'-bithiophene]-5-yl]ethan-1-ol > 4.383818628 > 0 > 2 > 0 > 13.176959753480006 > -3.5961978038278444 > 20.23 > 71.04469999999999 > 4 > 1 > (1R)-2-chloro-1-[5'-(prop-1-yn-1-yl)-[2,2'-bithiophene]-5-yl]ethanol > 1 > NP0244498 > (1r)-2-chloro-1-[5'-(prop-1-yn-1-yl)-[2,2'-bithiophen]-5-yl]ethanol $$$$