SciTegic07110717552D 19 21 0 0 0 0 999 V2000 0.0000 1.5002 0.0000 C 0 0 1.2806 0.7501 0.0000 C 0 0 1.2806 -0.7501 0.0000 C 0 0 0.0000 -1.5002 0.0000 C 0 0 -1.2989 -0.7501 0.0000 C 0 0 -1.2989 0.7501 0.0000 C 0 0 -2.5978 1.5002 0.0000 C 0 0 -3.8968 0.7501 0.0000 C 0 0 -3.8968 -0.7501 0.0000 C 0 0 -4.9360 -1.3500 0.0000 O 0 0 -2.5978 -1.5002 0.0000 N 0 0 -2.5978 3.0010 0.0000 C 0 0 1 0 0 0 -1.5590 3.6016 0.0000 F 0 0 -3.6373 3.6007 0.0000 F 0 0 -2.5984 4.2010 0.0000 F 0 0 2.5978 -1.5002 0.0000 N 0 0 3.8968 -0.7501 0.0000 C 0 0 3.8968 0.7501 0.0000 C 0 0 2.5978 1.5002 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 19 1 0 2 3 2 0 3 4 1 0 3 16 1 0 4 5 2 0 5 11 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 12 1 0 8 9 1 0 9 10 2 0 9 11 1 0 12 13 1 6 12 14 1 0 12 15 1 0 16 17 1 0 17 18 1 0 18 19 1 0 M END > ZINC03814385 > 1 $$$$ SciTegic07110717552D 19 21 0 0 0 0 999 V2000 -3.6016 1.3850 0.0000 C 0 0 -2.8792 0.0850 0.0000 C 0 0 1 0 0 0 -2.0045 -1.1298 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 C 0 0 5.6440 1.4374 0.0000 O 0 0 3.3044 1.5915 0.0000 N 0 0 1.9924 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 -2.0045 1.2999 0.0000 C 0 0 3.3103 -2.9221 0.0000 C 0 0 1 0 0 0 2.2738 -3.5269 0.0000 F 0 0 4.3520 -3.5177 0.0000 F 0 0 3.3156 -4.1221 0.0000 F 0 0 2 1 1 6 2 15 1 0 2 3 1 0 3 4 1 0 4 14 2 0 4 5 1 0 5 6 2 0 6 12 1 0 6 7 1 0 7 8 2 0 7 16 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 16 17 1 6 16 18 1 0 16 19 1 0 M END > ZINC03814391 > 2 $$$$ SciTegic07110717552D 19 22 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 1 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 2 0 0 0 4.5993 3.2532 0.0000 O 0 0 2 1 1 1 2 15 1 0 2 18 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 14 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 14 13 1 6 14 15 1 0 15 16 1 1 16 17 1 0 17 18 1 0 18 19 1 1 M END > ZINC03814416 > 3 $$$$ SciTegic07110717552D 21 21 0 0 0 0 999 V2000 5.1943 -3.0089 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 1 0 0 0 3.8912 -5.2578 0.0000 C 0 0 4.9292 -5.8600 0.0000 Br 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 N 0 3 1.0432 3.5994 0.0000 O 0 0 -1.0351 3.6026 0.0000 O 0 5 -2.5988 1.5004 0.0000 C 0 0 1 0 0 0 -3.6384 0.9011 0.0000 F 0 0 -2.5984 2.7004 0.0000 F 0 0 -3.6377 2.1009 0.0000 F 0 0 5.2181 -4.5224 0.0000 O 0 0 1 2 1 0 2 3 1 0 2 5 1 0 2 21 1 6 3 4 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 17 1 0 12 13 1 0 12 14 1 0 14 15 2 0 14 16 1 0 17 18 1 1 17 19 1 0 17 20 1 0 M CHG 2 14 1 16 -1 M END > ZINC03814362 > 4 $$$$ SciTegic07110717552D 22 25 0 0 0 0 999 V2000 2.5200 2.6000 0.0000 C 0 0 3.8000 1.8600 0.0000 C 0 0 5.0500 2.5700 0.0000 C 0 0 6.3600 1.8600 0.0000 C 0 0 6.3600 0.4000 0.0000 C 0 0 7.3999 -0.1989 0.0000 O 0 0 5.0500 -0.3600 0.0000 N 0 0 3.8000 0.4000 0.0000 C 0 0 2.5200 -0.3300 0.0000 C 0 0 1.2600 0.4000 0.0000 C 0 0 1.2600 1.8600 0.0000 C 0 0 -1.2800 1.8600 0.0000 C 0 0 1 0 0 0 -2.5200 2.6000 0.0000 C 0 0 -3.7800 1.8600 0.0000 C 0 0 -3.7800 0.4000 0.0000 C 0 0 -2.5200 -0.3300 0.0000 C 0 0 -1.2800 0.4000 0.0000 C 0 0 1 0 0 0 0.0000 -0.3300 0.0000 N 0 0 5.0199 4.0713 0.0000 C 0 0 1 0 0 0 3.9691 4.6508 0.0000 F 0 0 6.0470 4.6919 0.0000 F 0 0 4.9962 5.2711 0.0000 F 0 0 1 11 2 0 1 2 1 0 2 8 2 0 2 3 1 0 3 4 2 0 3 19 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 18 1 0 10 11 1 0 11 12 1 0 12 17 1 0 12 13 1 6 13 14 1 0 14 15 1 0 15 16 1 0 17 16 1 6 17 18 1 0 19 20 1 1 19 21 1 0 19 22 1 0 M END > ZINC03814376 > 5 $$$$ SciTegic07110717552D 23 24 0 0 0 0 999 V2000 5.5384 -0.6303 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 2 0 0 0 3.9511 -0.8815 0.0000 C 0 0 4.1955 0.2934 0.0000 O 0 0 2.5987 -1.5004 0.0000 N 0 0 2.7343 -2.9815 0.0000 C 0 0 1.8365 -3.7777 0.0000 S 0 0 4.2010 -3.2956 0.0000 N 0 0 3.7857 -4.7352 0.0000 C 0 0 2.3292 -5.0969 0.0000 C 0 0 1.9132 -6.5389 0.0000 C 0 0 0.4566 -6.9006 0.0000 C 0 0 0.0406 -8.3426 0.0000 O 0 0 1.6341 -0.3507 0.0000 C 0 0 0.1569 -0.6112 0.0000 C 0 0 -0.8073 0.5379 0.0000 C 0 0 -0.2943 1.9474 0.0000 C 0 0 1.1829 2.2079 0.0000 C 0 0 2.1471 1.0588 0.0000 C 0 0 1.5933 3.3355 0.0000 I 0 0 -1.2590 3.0971 0.0000 C 0 0 -2.0304 4.0163 0.0000 N 0 0 5.8065 -3.2166 0.0000 C 0 0 2 1 1 1 2 8 1 0 2 3 1 0 2 23 1 0 3 4 2 0 3 5 1 0 5 6 1 0 5 14 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 21 1 0 18 19 1 0 18 20 1 0 21 22 3 0 M END > ZINC02007483 > 6 $$$$ SciTegic07110717552D 26 28 0 0 0 0 999 V2000 3.0138 -0.7781 0.0000 C 0 0 1.7503 -1.5498 0.0000 C 0 0 2 0 0 0 0.4558 -2.2973 0.0000 C 0 0 -0.8205 -1.5498 0.0000 C 0 0 2 0 0 0 -2.1332 -2.2973 0.0000 C 0 0 -3.4277 -1.5498 0.0000 C 0 0 2 0 0 0 -3.4277 0.0000 0.0000 C 0 0 -2.1332 0.6928 0.0000 C 0 0 -0.8205 0.0000 0.0000 C 0 0 1 0 0 0 0.4558 0.6928 0.0000 C 0 0 2 0 0 0 1.7503 0.0000 0.0000 C 0 0 3.0631 0.6928 0.0000 C 0 0 3.0631 2.1879 0.0000 C 0 0 4.1036 2.7856 0.0000 O 0 0 1.7503 2.9537 0.0000 C 0 0 0.4558 2.1879 0.0000 C 0 0 0.4591 -0.8069 0.0000 C 0 0 -4.6915 -0.7781 0.0000 C 0 0 -3.8997 -2.9529 0.0000 C 0 0 2 0 0 0 -5.3777 -3.2133 0.0000 C 0 0 -6.1486 -2.2937 0.0000 O 0 0 -5.8921 -4.6232 0.0000 C 0 0 -2.9355 -4.1031 0.0000 O 0 0 -3.4486 -5.5135 0.0000 C 0 0 -4.6304 -5.7217 0.0000 O 0 0 -2.4844 -6.6636 0.0000 C 0 0 2 1 1 6 2 11 1 0 2 3 1 0 4 3 1 6 4 9 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 18 1 1 6 19 1 0 7 8 1 0 9 8 1 1 9 10 1 0 10 16 1 0 10 11 1 0 10 17 1 6 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 19 20 1 0 19 23 1 1 20 21 2 0 20 22 1 0 23 24 1 0 24 25 2 0 24 26 1 0 M END > ZINC03814427 > 7 $$$$ SciTegic07110717552D 29 33 0 0 0 0 999 V2000 1.0799 -6.2497 0.0000 C 0 0 1.1803 -4.7523 0.0000 C 0 0 2.0780 -4.3116 0.0000 O 0 0 -0.0658 -3.9158 0.0000 S 0 0 0.0000 -2.4353 0.0000 C 0 0 2 0 0 0 -1.3723 -3.1504 0.0000 C 0 0 -2.6286 -2.4353 0.0000 C 0 0 -3.9042 -3.1504 0.0000 C 0 0 -5.1992 -2.4353 0.0000 C 0 0 -6.2326 -3.0452 0.0000 O 0 0 -5.1992 -0.9664 0.0000 C 0 0 -3.9042 -0.2513 0.0000 C 0 0 -2.6286 -0.9664 0.0000 C 0 0 2 0 0 0 -1.3723 -0.2513 0.0000 C 0 0 2 0 0 0 0.0000 -0.9664 0.0000 C 0 0 2 0 0 0 1.1983 -0.2513 0.0000 C 0 0 2 0 0 0 3.7496 -0.2513 0.0000 C 0 0 3.7496 1.2177 0.0000 C 0 0 2.4740 1.9521 0.0000 C 0 0 1 0 0 0 1.1983 1.2177 0.0000 C 0 0 1 0 0 0 0.0000 1.9521 0.0000 C 0 0 -1.3723 1.2177 0.0000 C 0 0 2.4921 0.4557 0.0000 C 0 0 1.2756 4.0395 0.0000 C 0 0 2.7059 4.2135 0.0000 C 0 0 3.4017 3.7882 0.0000 C 0 0 4.4575 4.3586 0.0000 O 0 0 3.3630 2.5706 0.0000 O 0 0 -3.9269 -1.7201 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 1 0 5 4 1 6 15 5 1 6 5 6 1 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 29 1 1 14 22 1 1 14 15 1 0 15 16 1 0 16 20 1 0 16 17 1 1 17 18 1 0 18 19 1 0 19 28 1 6 19 20 1 0 19 24 1 0 20 21 1 0 20 23 1 1 21 22 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 M END > ZINC03814430 > 8 $$$$ SciTegic07110717552D 29 33 0 0 0 0 999 V2000 -1.6912 1.1172 0.0000 C 0 0 -1.6790 -0.3832 0.0000 C 0 0 2 0 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -5.2209 -2.4390 0.0000 O 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 2 0 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 2 0 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -0.4562 1.7885 0.0000 C 0 0 0.8030 2.5185 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 1 0 0 0 2.0440 0.3467 0.0000 C 0 0 1 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 2 0 0 0 4.2761 3.6533 0.0000 O 0 0 3.8240 5.0844 0.0000 C 0 0 2.8475 5.2999 0.0000 O 0 0 4.8366 6.1921 0.0000 C 0 0 6.3009 5.8663 0.0000 C 0 0 7.3152 6.9714 0.0000 C 0 0 6.8653 8.4023 0.0000 C 0 0 5.4011 8.7282 0.0000 C 0 0 4.3868 7.6231 0.0000 C 0 0 2.0418 3.2897 0.0000 C 0 0 2 1 1 1 2 8 1 0 2 12 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 8 7 1 1 8 9 1 0 9 10 1 0 11 10 1 6 11 16 1 0 11 12 1 0 12 13 1 1 13 14 1 0 14 15 1 0 15 19 1 0 15 16 1 0 15 29 1 1 16 17 1 1 17 18 1 0 18 19 1 0 19 20 1 1 20 21 1 0 21 22 2 0 21 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M END > ZINC03814428 > 9 $$$$ SciTegic07110717552D 29 33 0 0 0 0 999 V2000 3.0476 4.1701 0.0000 C 0 0 3.5598 2.7594 0.0000 C 0 0 4.7415 2.5505 0.0000 O 0 0 2.5800 1.6500 0.0000 C 0 0 1 0 0 0 3.8900 0.9100 0.0000 C 0 0 3.8900 -0.5600 0.0000 C 0 0 1.2700 -0.5600 0.0000 C 0 0 2 0 0 0 1.2700 0.9100 0.0000 C 0 0 2 0 0 0 0.0000 1.6500 0.0000 C 0 0 -1.3200 0.9100 0.0000 C 0 0 -1.3200 -0.5600 0.0000 C 0 0 1 0 0 0 0.0000 -1.3100 0.0000 C 0 0 1 0 0 0 0.0000 -2.7900 0.0000 C 0 0 -1.3200 -3.5400 0.0000 C 0 0 -2.6300 -2.7900 0.0000 C 0 0 -3.9400 -3.5400 0.0000 C 0 0 -5.2400 -2.7900 0.0000 C 0 0 -6.2791 -3.3902 0.0000 O 0 0 -5.2400 -1.3100 0.0000 C 0 0 2 0 0 0 -5.1500 0.1400 0.0000 C 0 0 -3.9400 -0.5600 0.0000 C 0 0 2 0 0 0 -2.6300 -1.3100 0.0000 C 0 0 2 0 0 0 -3.9297 -2.0602 0.0000 C 0 0 -1.3220 -4.7400 0.0000 Cl 0 0 2.5667 0.1538 0.0000 C 0 0 1.6003 2.7590 0.0000 O 0 0 1.0154 4.1412 0.0000 C 0 0 1.7389 5.0985 0.0000 O 0 0 -0.4740 4.3266 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 8 1 0 4 5 1 0 4 26 1 6 5 6 1 0 7 6 1 1 7 12 1 0 7 8 1 0 8 9 1 0 8 25 1 1 9 10 1 0 11 10 1 1 11 22 1 0 11 12 1 0 12 13 1 6 13 14 2 0 14 15 1 0 14 24 1 0 15 22 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 19 21 1 0 19 20 1 6 21 20 1 6 21 22 1 0 22 23 1 1 26 27 1 0 27 28 2 0 27 29 1 0 M END > ZINC03814423 > 10 $$$$