27111074 -OEChem-04192405213D 41 44 0 0 0 0 0 0 0999 V2000 8.3578 -1.8986 0.0248 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5309 2.0002 -0.0266 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.1026 0.1748 -0.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3133 -0.0735 0.0558 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 -0.5711 0.0032 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0755 -1.0230 -0.7667 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9636 1.2225 0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5059 -1.1205 -0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4003 1.0056 0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9173 -0.1601 0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1553 0.9287 -0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2872 -1.3353 0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1332 -0.3327 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7633 0.8424 -0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8952 -1.4216 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3185 -0.4227 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 0.6333 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6368 0.5421 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6870 -0.2731 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9957 1.0906 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -1.2073 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3224 1.5505 -0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0688 -0.7564 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3511 0.6051 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6314 -2.0242 -0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0799 -0.6605 -1.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9681 1.7897 -0.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4352 1.8078 1.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1075 -1.7343 -0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5407 -1.5880 0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4348 0.5508 1.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9238 1.9653 0.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6136 1.8518 -0.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8632 -2.1895 0.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2153 1.7067 -0.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4215 -2.3442 0.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7317 -1.4293 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7685 1.6446 0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5205 -2.2706 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5503 2.6120 -0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3810 0.9555 -0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 18 1 0 0 0 0 2 20 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 18 2 0 0 0 0 5 19 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 11 33 1 0 0 0 0 12 15 2 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 24 41 1 0 0 0 0 M END > 27111074 > 0.8 > 1 3 5 4 2 > 33 1 -0.18 10 0.1 11 -0.15 12 -0.15 13 0.03 14 -0.15 15 -0.15 16 -0.18 17 -0.11 18 0.33 19 0.23 2 -0.08 20 0.04 21 -0.15 22 -0.15 23 0.18 24 -0.15 3 -0.56 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.84 40 0.15 41 0.15 5 -0.57 6 0.37 7 0.37 8 0.28 9 0.28 > 4.2 > 7 1 3 acceptor 1 4 cation 1 5 acceptor 5 2 5 18 19 20 rings 6 10 11 12 13 14 15 rings 6 19 20 21 22 23 24 rings 6 3 4 6 7 8 9 rings > 24 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 019DAEA200000001 > 74.3197 > 35.594 > 10050765 1 18123188992087399517 100830 39 18339643322393811537 10299344 5 18413671313754611005 10319688 140 17386837314903376674 11315181 36 18344148107990370153 11408170 108 16558195887747956302 11524674 6 16630525163551253735 11719270 70 17704073984679842958 12089408 11 18202565090365538965 12166972 35 18411982485359543672 12236239 1 18272369784476786645 12516196 113 17989486333840688672 12592606 108 18411981364657454606 13533116 47 17241034423379944474 13685833 64 18334576837247078220 13885169 127 18341895165019266137 13914758 101 18343305846774352137 14118638 360 16298657292179395408 14170010 4 18335138718012566948 14202775 3 18412267251014724919 14251764 18 18412545422395621901 14251764 46 18411136939405127498 14933364 13 18408886239187771388 15131766 46 16627125589705355312 15183329 4 18334010583878335219 15419008 47 16805595984594275461 15510794 2 17895197731670712602 15716309 27 18272086106260981207 15849732 13 16950282918679390791 16120349 18 18337388348936566948 19301679 30 17559400154987780582 20281389 69 18260828202372707693 20621476 8 18260828176655229285 21130935 74 18341612659329746842 21267235 1 18333171660833061492 21315763 28 18411981368772833449 21792934 111 18130779050251966296 22224240 67 11672060839902649148 232437 2 18411702084081978094 23559900 14 18264203776163435096 23569917 315 18187935027608078147 249057 3 16443352000271654454 28498 318 18408885114370381726 3004659 81 18259421915117602584 335352 9 18408042930885573350 33684 2 18342457037325974399 3545911 37 18186517713314509268 397830 11 15792875488515482697 4073 2 17968662743336242434 4325135 7 18344144800348516231 59755656 215 17894346662078098226 59755656 520 18260824930224955983 67123 10 18413107285722245845 8209 1 18410573993741392244 99344 41 18273214183780202711 > 483.8 27.28 1.73 0.7 3.16 0.04 0 -3.89 -0.12 -1.66 -0.05 0.4 -0.01 -0.44 > 1031.823 > 271.2 > 2 5 10 $$$$