Mrv1652309062207272D 14 15 0 0 0 0 999 V2000 2.8282 -1.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8282 -2.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8282 -3.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4957 -4.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2407 -4.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4157 -4.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1608 -4.0155 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8282 -1.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1137 -0.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1137 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4463 0.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7012 1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5262 1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7812 0.6668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 3 7 1 0 0 0 0 1 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 2 0 0 0 0 13 14 1 0 0 0 0 10 14 1 0 0 0 0 M END > NP0226425 > NP-MRD > O1C=CC=C1\C=C\C#CC1=CC=CS1 > InChI=1S/C12H8OS/c1(5-11-6-3-9-13-11)2-7-12-8-4-10-14-12/h1,3-6,8-10H/b5-1+ > HAKDYPJVGUKNJQ-ORCRQEGFSA-N > C12H8OS > 200.26 > 200.029586052 > 0 > 22 > 22.07996972422622 > 1 > 0 > 0 > 1 > 2-[(1E)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]furan > 3.677358863 > 0 > 2 > 0 > -2.87011323500307 > 13.14 > 56.4255 > 3 > 1 > 2-[(1E)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]furan > 1 > NP0226425 > 2-[(1e)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]furan $$$$