60651 -OEChem-10051722123D 45 48 0 1 0 0 0 0 0999 V2000 -1.7192 2.8857 0.3328 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9654 -1.7563 -0.3095 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 2.4023 0.2433 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5970 1.3572 -0.5872 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9639 -0.7085 0.3232 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7342 0.3388 -0.0041 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5798 0.1029 0.0764 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8289 -1.3589 -0.1703 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 -2.6747 -0.2209 N 0 0 2 0 0 0 0 0 0 0 0 0 -3.5550 1.0006 -1.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4126 0.0413 1.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8832 0.2618 -1.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7445 -0.6672 1.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3528 0.5602 0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4558 -0.4954 -0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9245 -0.2737 -0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 1.0373 0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8683 1.8580 0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8707 -0.5557 -0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -2.6503 -0.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5068 2.1028 0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1874 -1.1221 -0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8686 1.2751 0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7552 0.0861 -0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2307 -3.2164 1.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2163 0.1693 -0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7488 2.0401 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 1.0178 -1.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7881 -0.6055 1.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5795 0.9750 1.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5036 0.8396 -1.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6971 -0.7165 -1.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5536 -1.6749 0.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2613 -0.7844 1.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1288 -2.3960 -1.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4288 -3.6552 -0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4063 -0.6416 0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7649 -1.5592 -0.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5077 0.0375 -0.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8585 3.1228 0.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7802 -2.0253 -0.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2213 -3.2654 1.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8496 -4.2434 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5765 -2.6278 1.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5731 1.4508 -0.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 3 23 2 0 0 0 0 4 26 1 0 0 0 0 4 45 1 0 0 0 0 5 26 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 22 1 0 0 0 0 9 20 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 21 2 0 0 0 0 17 23 1 0 0 0 0 18 21 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END > DB11426 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BPFYOAJNDMUVBL-UHFFFAOYSA-N/SDF?record_type=3d > CN1CCN(CC1)C1=C(F)C=C2C(=O)C(=CN3N(C)COC1=C23)C(O)=O > InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25) > BPFYOAJNDMUVBL-UHFFFAOYSA-N > C17H19FN4O4 > 362.361 > 362.139033271 > 8 > 45 > 35.91738761248878 > 1 > 1 > 0 > 1 > 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.0⁵,¹³]trideca-5(13),6,8,11-tetraene-11-carboxylic acid > -0.53 > -0.04549597318408132 > -2.14 > 0 > 4 > -1 > 13.988530386489064 > 5.383291237949968 > 6.16186331897146 > 76.56 > 103.01929999999999 > 2 > 1 > 2.60e+00 g/l > marbofloxacin > 0 $$$$