60063 -OEChem-05151812443D 42 45 0 1 0 0 0 0 0999 V2000 1.4533 2.0989 0.4446 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2516 -2.8002 -0.1795 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7763 -2.6521 -0.2977 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1595 -1.8163 0.3902 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6452 0.2335 -0.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6085 1.2161 0.2447 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0816 -0.2461 0.1817 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3866 0.4106 -1.1937 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3885 2.6689 0.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1135 3.5612 -0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4176 3.6598 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6014 0.2147 0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2206 0.5777 -0.3440 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9234 0.0582 -0.9754 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3065 -0.2244 0.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8532 -0.2516 1.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7291 -0.5017 0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9395 0.8561 0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7698 0.5091 0.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9773 -1.1330 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4025 -0.3876 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 -1.8246 -0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4173 -1.4925 -0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 -2.1449 -0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8511 -0.5897 -0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9562 2.8892 1.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1268 3.1333 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4091 4.3739 -0.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5693 4.5281 0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2836 3.4247 -0.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1055 1.6414 -0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4748 0.8109 -1.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0891 -0.8582 -1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9768 0.2239 1.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6494 -1.2491 0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6555 -1.1438 2.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6236 0.6378 2.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6609 1.6466 0.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3002 -3.1832 -0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2281 0.8781 -2.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5181 -0.5758 -1.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1246 -1.9899 0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 22 1 0 0 0 0 3 23 2 0 0 0 0 4 25 1 0 0 0 0 4 42 1 0 0 0 0 5 25 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 18 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 13 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 22 2 0 0 0 0 18 21 2 0 0 0 0 18 38 1 0 0 0 0 20 23 1 0 0 0 0 20 24 2 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 24 39 1 0 0 0 0 M END > DB14025 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QGPKADBNRMWEQR-UHFFFAOYSA-N/SDF?record_type=3d > NC1CCN(C1)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1Cl)C(O)=O > InChI=1S/C17H17ClFN3O3/c18-13-14-10(5-12(19)15(13)21-4-3-8(20)6-21)16(23)11(17(24)25)7-22(14)9-1-2-9/h5,7-9H,1-4,6,20H2,(H,24,25) > QGPKADBNRMWEQR-UHFFFAOYSA-N > C17H17ClFN3O3 > 365.79 > 365.0942473 > 6 > 42 > 35.673153765706374 > 1 > 2 > 0 > 0 > 7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid > 0.36 > -0.4232066876428698 > -2.91 > 0 > 4 > 0 > 5.451803278948481 > 9.629823790467551 > 86.87 > 92.50519999999997 > 3 > 1 > 4.45e-01 g/l > clinafloxacin > 0 $$$$