1937941 -OEChem-03292411113D 27 28 0 0 0 0 0 0 0999 V2000 5.5931 1.0589 -0.0008 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0824 1.3318 0.0128 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 -2.8023 0.0047 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5859 1.1492 0.0132 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 1.2897 -0.0187 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3831 -0.7918 0.0047 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9891 -0.7864 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9733 0.7005 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1788 -1.4453 0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2418 -1.5752 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5126 -0.8260 0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4810 0.6003 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2857 2.7488 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1412 -0.5638 -1.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1214 -0.5161 1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4076 0.0214 -1.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3879 0.0688 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0309 0.3374 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2088 -2.5328 0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2660 -1.2955 0.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2987 3.1400 -0.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6594 3.1153 -0.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8653 3.1133 0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6664 -0.8059 -2.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6313 -0.7210 2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8967 0.2252 -2.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8615 0.3098 2.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 8 2 0 0 0 0 3 10 2 0 0 0 0 4 12 2 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 18 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 M END > 1937941 > 0.6 > 1 > 24 1 -0.18 10 0.62 11 0.03 12 0.69 13 0.3 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 0.18 19 0.15 2 -0.57 20 0.37 24 0.15 25 0.15 26 0.15 27 0.15 3 -0.57 4 -0.57 5 -0.42 6 -0.49 7 0.03 8 0.62 9 -0.18 > 1.4 > 6 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 6 donor 6 11 14 15 16 17 18 rings 6 5 6 7 8 10 12 rings > 18 > 0 > 0 > 1 > 0 > 0 > 1 > 3 > 001D921500000001 > 49.6516 > 30.447 > 10366900 7 17774995791183957897 10411042 1 17834114525903287451 10498660 4 18411136922251930996 10608611 8 18272087184535136120 10646746 165 18412262835644828236 11132069 177 18410577287991857829 11543360 7 15913030020250546213 12173636 292 18338516314221025645 12236239 1 17749106703840272122 12390115 104 18128550266603959289 12403814 3 17458059353112622629 13140716 1 18265619960393898369 13214271 11 18272086144963289590 13538477 17 18187081758479537194 13583140 156 17022623070094489329 13764800 53 18411143510879274395 13897977 58 18335139808142689992 13965767 371 17392483195094663540 14739800 52 18192698159456034480 15219456 202 17989210334973582622 15375358 24 18202562873566295886 15669948 3 18409442605003963123 15775835 57 18187082841201484624 16945 1 18410573972683443047 18186145 218 17916026750375510833 19862831 5 13686290275427267708 200 152 15213013881763195186 20279233 1 17989771094251024766 20510252 161 18271810051886770345 20645477 56 18412267224499946605 20645477 70 16702029621725435862 23227448 37 18410854403582518877 23402539 116 18339356465901362494 23557571 272 18200317735431749830 23559900 14 18343025463336591070 26918003 58 14634869747140426292 2748010 2 18124306362352748587 3472631 163 18408324393025264316 34934 24 18408317778949408943 350125 39 17977107859767079759 4340502 62 16443355230688428825 474 4 17168997849386982836 5104073 3 18336831904945664954 633830 44 17841710712658163285 7097593 13 17826209823441611162 7364860 26 18196370308479229770 77492 1 17676204693283019554 7808743 9 18410293601550718624 > 344.73 8.92 2.13 0.94 5.03 0.16 0 3.19 -0.01 -2.47 -0.01 0.96 -0.09 0.03 > 735.877 > 191.5 > 2 5 10 $$$$