HMDB0251037 RDKit 3D 6-Fluoro-1-methyl-1,4-dihydro-7-(1-piperazinyl)-4-oxoquinoline-3-carboxylic acid 38 40 0 0 0 0 0 0 0 0999 V2000 2.0533 2.5542 -0.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4515 1.1730 -0.3034 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7437 0.8001 -0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1313 -0.5080 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5346 -0.8978 0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8591 -2.0938 0.2302 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5591 0.0193 -0.1474 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1632 -1.4638 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5025 -2.6766 0.3585 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8346 -1.0959 0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8433 -2.0390 0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4803 -1.6582 0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4155 -2.6438 0.4076 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8594 -0.3464 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -0.0176 -0.0429 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1056 -0.2568 1.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4608 0.3281 0.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0478 -0.1717 -0.3950 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1733 -0.1661 -1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8850 0.5680 -1.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1514 0.5794 -0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4948 0.2309 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5352 2.9568 0.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9671 3.1611 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4186 2.6600 -1.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5190 1.5666 -0.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9037 0.2608 -1.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1364 -3.0659 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 -1.3382 1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7099 0.2850 2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4493 1.4378 0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1351 -0.0082 1.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4877 -1.1057 -0.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6044 0.3299 -2.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9876 -1.2226 -1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2311 0.6513 -2.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1938 1.5994 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0979 1.6146 -0.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 4 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 14 21 1 0 21 22 2 0 22 2 1 0 22 10 1 0 20 15 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 7 27 1 0 11 28 1 0 16 29 1 0 16 30 1 0 17 31 1 0 17 32 1 0 18 33 1 0 19 34 1 0 19 35 1 0 20 36 1 0 20 37 1 0 21 38 1 0 M END