70524078 -OEChem-03282418343D 21 21 0 1 0 0 0 0 0999 V2000 -0.8668 -2.8340 0.0587 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 2.0993 -0.4549 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3989 -0.4011 0.3842 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 0.6638 1.5442 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1496 -0.5679 -0.4722 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2715 -0.1878 -0.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 -0.1449 -1.8663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2488 -1.1510 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6111 1.1651 -0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1085 -0.0274 0.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5659 -0.7610 0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9283 1.5549 0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9056 0.5919 0.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2879 -1.6515 -0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7693 0.9405 -1.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9578 -0.4752 -2.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6296 -0.5902 -2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3395 -1.4990 0.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1924 2.6083 0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9311 0.8956 0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9974 -0.0488 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 3 10 1 0 0 0 0 3 21 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 11 2 0 0 0 0 9 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 M END > 70524078 > 0.6 > 1 7 9 3 8 5 6 2 4 > 16 1 -0.18 10 0.66 11 -0.15 12 -0.15 13 -0.15 18 0.15 19 0.15 2 -0.19 20 0.15 21 0.5 3 -0.65 4 -0.57 5 0.2 6 -0.14 8 0.18 9 0.19 > 2 > 5 1 3 acceptor 1 4 acceptor 1 7 hydrophobe 3 3 4 10 anion 6 6 8 9 11 12 13 rings > 13 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 04341CAE00000001 > 29.5658 > 25.431 > 10857977 72 18410854360885741369 12423570 1 17389675085251446869 13538477 17 17968386752605402903 15219456 202 17917714548306293550 15775835 57 18339080371954184403 16945 1 18410304622388788151 193761 8 17905612460100469541 20645464 45 18059856147095684115 20645476 183 17532394082660128455 20871998 184 18270965764158305759 21040471 1 18337681801932877279 23388829 49 16975879806918864863 23402539 116 18271508867289132207 23552423 10 17611196240036552293 23559900 14 18055363448997937270 2748010 2 18193567662066606951 369184 2 18342729706986732123 5084963 1 18130242492328856495 5255222 1 17618232706326871909 53812653 166 18198625436934222017 54338 74 18192129685287790395 75552 356 18410007766780769146 77492 1 17458355125729441374 81228 2 18268999867717579787 > 250.39 3.92 2.11 1.11 0.82 0.96 0.21 -0.2 -0.69 -1.06 0.02 0.87 -0.09 0.15 > 515.964 > 144.5 > 2 5 10 $$$$