19596969 -OEChem-04262420283D 36 38 0 0 0 0 0 0 0999 V2000 7.2091 1.9384 0.2139 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4367 -2.0008 -0.2387 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.3934 0.0374 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2026 0.5479 0.0794 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9857 0.1220 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2014 0.2885 0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2232 -1.0153 0.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3561 1.3427 -0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 -0.9322 0.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9639 1.4259 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5613 0.2717 0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8888 -1.0769 -0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5227 -0.5670 -0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 0.3772 0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1138 -0.6742 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0570 -1.2266 0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1952 1.2162 -0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6069 1.2142 0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2217 -1.5140 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9360 0.7860 0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2372 -0.5609 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 -1.9860 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9044 2.2552 -0.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2813 -1.8387 0.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4894 2.3851 -0.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3264 1.3802 0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2981 -1.6680 -0.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1469 -1.1305 0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8316 -1.5996 1.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7708 -1.9786 -0.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2671 0.9894 -0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9830 1.6271 -1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0259 1.9868 0.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3672 2.2661 0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5640 -0.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2717 -0.8935 -0.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 5 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 11 1 0 0 0 0 4 13 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 8 10 2 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 21 36 1 0 0 0 0 M END > 19596969 > 0.6 > 1 4 5 3 2 > 30 1 -0.18 10 -0.15 11 0.23 12 0.04 13 0.33 14 -0.18 15 -0.11 16 0.37 17 0.37 18 -0.15 19 -0.15 2 -0.08 20 0.18 21 -0.15 22 0.15 23 0.15 24 0.15 25 0.15 26 0.15 27 0.15 3 -0.84 34 0.15 35 0.15 36 0.15 4 -0.57 5 0.1 6 0.03 7 -0.15 8 -0.15 9 -0.15 > 3 > 5 1 3 cation 1 4 acceptor 5 2 4 11 12 13 rings 6 11 12 18 19 20 21 rings 6 5 6 7 8 9 10 rings > 21 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 012B06A900000001 > 66.289 > 25.443 > 10 15 18260827142312020088 10299344 5 17917993884658393951 10411042 1 17979919303639340734 10595046 47 18341331119463854683 10638233 991 16487254400062449912 10835480 77 18409162187032332133 10968037 39 18409448090404745647 11315181 36 18273498979699718513 11524674 6 16200149915792252719 11719270 70 18272083864832105486 11724838 91 18334293210275442182 12107183 9 17546447773913649042 12166972 35 18408326587827710452 12236239 1 18060420196492154899 125118 31 18113902645438793540 12516196 113 18342739619734639841 12730499 353 18342460335739960662 13073987 5 18335701594180969329 13533116 47 13613973162480729924 13899415 154 17203610401992687384 14170010 4 18408604777671034108 1420 363 18408045104455672307 14251732 16 18410012152195598859 14251764 18 18410292527359890917 14251764 46 18410572881360693339 14341114 176 18410298003448474580 14461889 52 18334294309908831530 14933364 13 18411420600525687452 15475509 35 16588851388668983074 15716309 27 18201719544322472271 17093844 174 17967814947489551569 17844677 252 18340212903380488272 18335252 98 18410578414006980283 19427546 62 18336548330737455766 19489759 90 17240203214496678581 20157964 124 18412827984816638450 20281389 69 18187080637683106996 20645477 70 18200878362230123822 21130935 74 18411703153908935667 21150785 3 17060618923152995220 21267235 1 18343026553983931926 21315763 28 18410855430522417610 220451 1 16056878022347137599 221357 26 18273213075910482392 22224240 67 17967530199030349650 22896161 15 18411138065119251143 23536379 177 18411419488255609139 23559900 14 18338792416357419545 29717793 49 17704077253065136502 300161 21 18187079542460996339 3004659 81 18334858286316893642 34797466 226 17918281952378158380 3545911 37 18410856555350097039 4073 2 18113904900644647210 4214541 1 18409730621352716789 4325135 7 18412825797865869343 4340502 62 17095519600616409610 4463277 17 18411418402019221177 5104073 3 18261678056104072634 542803 24 16988844964592086211 59682541 35 18336828705279158793 59682541 52 17274558572631352132 59755656 215 18334861580272460198 59755656 520 17240480321397327971 67856867 119 18115313409262332117 > 427.93 21.6 1.8 0.65 7.76 0.01 0 -4.86 0.24 -1.32 -0.05 0.01 0.01 0.81 > 906.401 > 242.9 > 2 5 10 $$$$