SciTegic07110717172D 15 15 0 0 0 0 999 V2000 2.3383 -1.3500 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 -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 2.5988 1.5004 0.0000 S 0 0 1 0 0 0 2.5984 2.7004 0.0000 O 0 0 3.6377 2.1009 0.0000 O 0 0 3.8990 0.7508 0.0000 C 0 0 5.1988 1.5013 0.0000 N 0 3 6.2384 0.9019 0.0000 O 0 0 5.1984 2.7013 0.0000 O 0 5 0.0000 2.7000 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 15 1 0 7 8 1 0 8 9 2 0 8 10 2 0 8 11 1 6 11 12 1 0 12 13 2 0 12 14 1 0 M CHG 2 12 1 14 -1 M END > ZINC00025296 > 1 $$$$ SciTegic07110717172D 15 16 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 C 0 0 -0.7500 -1.0323 0.0000 C 0 0 -1.2135 0.3943 0.0000 S 0 0 0.0000 1.2760 0.0000 C 0 0 1.2135 0.3943 0.0000 C 0 0 2.6375 0.8603 0.0000 C 0 0 2.9474 2.3287 0.0000 C 0 0 1.9353 3.4185 0.0000 N 0 0 2.6808 4.7202 0.0000 N 0 0 4.1491 4.4135 0.0000 N 0 0 4.3111 2.9223 0.0000 N 0 0 5.6070 2.1705 0.0000 C 0 0 6.9088 2.9173 0.0000 C 0 0 7.9468 2.3150 0.0000 O 0 0 6.9118 4.1173 0.0000 O 0 5 1 5 1 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 M CHG 1 15 -1 M END > ZINC03814347 > 2 $$$$ SciTegic07110717172D 17 18 0 0 0 0 999 V2000 3.6375 -0.9049 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 5.1017 -6.1218 0.0000 C 0 0 6.2421 -5.7482 0.0000 O 0 0 4.6332 -7.5468 0.0000 N 0 0 3.1332 -7.5416 0.0000 C 0 0 2.4245 -8.5100 0.0000 S 0 0 2.6747 -6.1134 0.0000 S 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 12 1 0 3 4 1 0 4 5 2 0 5 11 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > ZINC04617744 > 3 $$$$ SciTegic07110717172D 17 19 0 0 0 0 999 V2000 -3.2895 -1.2872 0.0000 C 0 0 -1.9819 -2.0840 0.0000 C 0 0 -0.6742 -1.2872 0.0000 C 0 0 -0.6742 0.2043 0.0000 C 0 0 -1.9819 0.9603 0.0000 C 0 0 -3.2895 0.2043 0.0000 C 0 0 -4.3289 0.8040 0.0000 F 0 0 0.6334 0.9603 0.0000 C 0 0 1 0 0 0 1.9206 0.2043 0.0000 C 0 0 1.9206 -1.2872 0.0000 C 0 0 0.6334 -2.0840 0.0000 O 0 0 1.4711 2.1658 0.0000 C 0 0 2.6710 2.1810 0.0000 O 0 0 0.5721 3.3916 0.0000 N 0 0 -0.7764 2.9217 0.0000 C 0 0 -1.7546 3.6168 0.0000 O 0 0 -0.7764 1.4302 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 11 1 0 3 4 1 0 4 5 2 0 4 8 1 0 5 6 1 0 6 7 1 0 8 17 1 1 8 9 1 0 8 12 1 0 9 10 1 0 10 11 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 M END > ZINC00002070 > 4 $$$$ SciTegic07110717172D 19 22 0 0 0 0 999 V2000 2.3600 -3.4400 0.0000 C 0 0 3.3000 -2.2100 0.0000 C 0 0 2.7000 -0.7700 0.0000 C 0 0 1.1500 -0.5700 0.0000 C 0 0 0.2300 -1.8000 0.0000 C 0 0 0.8200 -3.2400 0.0000 C 0 0 -1.2100 -1.2900 0.0000 C 0 0 -2.5600 -2.0200 0.0000 C 0 0 -3.8900 -1.2300 0.0000 C 0 0 -3.8500 0.2800 0.0000 C 0 0 -2.4900 1.0200 0.0000 C 0 0 -1.1700 0.2200 0.0000 C 0 0 0.2800 0.6700 0.0000 C 0 0 2 0 0 0 1.7700 1.1100 0.0000 C 0 0 2.7219 0.3793 0.0000 O 0 0 1.8100 2.6600 0.0000 N 0 0 0.3400 3.1700 0.0000 C 0 0 -0.0153 4.3162 0.0000 O 0 0 -0.5600 1.9500 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 13 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 19 1 1 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M END > ZINC00398741 > 5 $$$$ SciTegic07110717172D 20 22 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 O 0 0 4.0872 0.0351 0.0000 S 0 0 2 0 0 0 4.6987 -0.9974 0.0000 O 0 0 3.4757 1.0677 0.0000 O 0 0 4.8236 1.3429 0.0000 N 0 0 4.1880 2.6874 0.0000 C 0 0 5.2919 3.7031 0.0000 C 0 0 5.1536 4.8951 0.0000 O 0 0 6.5989 2.9671 0.0000 N 0 0 6.3028 1.4966 0.0000 C 0 0 7.1101 0.6087 0.0000 O 0 0 2.0825 2.3453 0.0000 Br 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 20 1 0 8 9 1 0 10 8 1 6 10 11 2 0 10 12 2 0 10 13 1 0 13 18 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 2 0 M END > ZINC03803180 > 6 $$$$ SciTegic07110717172D 21 22 0 0 0 0 999 V2000 -2.3272 3.6028 0.0000 C 0 0 -1.2907 2.9981 0.0000 C 0 0 2 0 0 0 -0.2489 3.5938 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 O 0 0 2.5929 0.7486 0.0000 C 0 0 2 0 0 0 2.5929 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 S 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 2.6028 -4.9467 0.0000 O 0 0 3.8942 1.4964 0.0000 C 0 0 1 0 0 0 4.9326 0.8949 0.0000 C 0 0 3.8963 2.6964 0.0000 C 0 0 3.6385 -3.1449 0.0000 O 0 5 2 1 1 6 2 3 1 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 14 1 0 8 9 1 0 9 10 1 0 11 10 1 1 11 12 1 0 11 18 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 21 1 0 18 19 1 6 18 20 1 0 M CHG 1 21 -1 M END > ZINC03814346 > 7 $$$$ SciTegic07110717172D 24 27 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1855 -2.6254 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 4.0330 -4.0684 0.0000 O 0 0 2.1812 2.6271 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 4.7184 1.9369 0.0000 N 0 0 6.0251 2.6600 0.0000 C 0 0 7.4435 2.1600 0.0000 C 0 0 8.5827 3.1658 0.0000 C 0 0 8.2926 4.6325 0.0000 C 0 0 6.8563 5.1289 0.0000 C 0 0 5.7350 4.1266 0.0000 C 0 0 4.2515 4.2978 0.0000 S 0 0 9.7194 2.7814 0.0000 F 0 0 4.4530 -2.0330 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 13 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 24 1 0 13 14 1 0 14 22 1 0 14 15 2 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 23 1 0 19 20 2 0 20 21 1 0 21 22 1 0 M CHG 1 24 -1 M END > ZINC03814350 > 8 $$$$ SciTegic07110717172D 24 26 0 0 0 0 999 V2000 8.2513 2.6975 0.0000 C 0 0 7.0514 2.6798 0.0000 C 0 0 6.3207 1.3698 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 4.0518 2.6354 0.0000 C 0 0 4.7825 3.9454 0.0000 C 0 0 6.2823 3.9676 0.0000 C 0 0 4.0155 5.2355 0.0000 C 0 0 4.7485 6.5452 0.0000 C 0 0 4.1353 7.5767 0.0000 O 0 0 4.0872 0.0382 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 S 0 0 -0.9991 -2.7132 0.0000 F 0 0 -3.3560 1.3452 0.0000 F 0 0 -0.9991 2.7132 0.0000 F 0 0 5.9484 6.5608 0.0000 O 0 5 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 4 11 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 2 0 9 24 1 0 11 12 1 0 12 20 1 0 12 13 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 15 23 1 0 16 17 1 0 16 22 1 0 17 18 2 0 18 19 1 0 18 21 1 0 19 20 1 0 M CHG 1 24 -1 M END > ZINC03814349 > 9 $$$$ SciTegic07110717172D 24 26 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2964 -2.6973 0.0000 O 0 0 3.8942 -1.4964 0.0000 C 0 0 5.1929 -0.7441 0.0000 C 0 0 5.1877 0.7559 0.0000 C 0 0 6.4842 1.5104 0.0000 C 0 0 7.7858 0.7649 0.0000 C 0 0 7.7910 -0.7351 0.0000 C 0 0 6.4946 -1.4896 0.0000 C 0 0 6.4988 -2.6896 0.0000 F 0 0 8.8230 1.3685 0.0000 Br 0 0 1.2995 2.9981 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 2.6028 4.9467 0.0000 O 0 0 3.6385 3.1449 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 21 1 0 8 9 1 0 9 10 1 0 9 12 1 0 10 11 2 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 20 1 0 17 18 1 0 18 19 1 0 21 22 1 0 22 23 2 0 22 24 1 0 M CHG 1 24 -1 M END > ZINC03783240 > 10 $$$$ SciTegic07110717172D 26 29 0 0 0 0 999 V2000 -0.4700 -2.6700 0.0000 C 0 0 -1.5800 -1.5600 0.0000 C 0 0 -0.8900 -0.2400 0.0000 C 0 0 0.5900 -0.3600 0.0000 N 0 0 0.9200 -1.8900 0.0000 C 0 0 1.5200 0.9000 0.0000 C 0 0 1 0 0 0 2.6600 2.1300 0.0000 C 0 0 4.0900 1.5400 0.0000 C 0 0 5.1006 2.1870 0.0000 O 0 0 4.0300 0.0600 0.0000 N 0 0 2.5400 -0.4000 0.0000 C 0 0 2.1819 -1.5453 0.0000 O 0 0 0.7600 2.3400 0.0000 C 0 0 1.3957 3.3578 0.0000 O 0 0 -0.8300 2.3900 0.0000 N 0 0 -1.6300 1.0900 0.0000 C 0 0 -2.8297 1.1163 0.0000 O 0 0 -1.5585 3.7015 0.0000 C 0 0 -3.0591 3.7269 0.0000 C 0 0 -3.8287 2.4394 0.0000 C 0 0 -5.3285 2.4620 0.0000 C 0 0 -6.0588 3.7723 0.0000 C 0 0 -5.2893 5.0598 0.0000 C 0 0 -3.7895 5.0372 0.0000 C 0 0 -3.1739 6.0672 0.0000 F 0 0 -7.2587 3.7904 0.0000 Br 0 0 1 5 2 0 1 2 1 0 2 3 2 0 3 16 1 0 3 4 1 0 4 5 1 0 4 6 1 0 6 11 1 0 6 7 1 1 6 13 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 2 0 13 14 2 0 13 15 1 0 15 16 1 0 15 18 1 0 16 17 2 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 26 1 0 23 24 1 0 24 25 1 0 M END > ZINC00598588 > 11 $$$$ SciTegic07110717172D 27 30 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1855 -2.6254 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 4.0330 -4.0684 0.0000 O 0 0 2.1812 2.6271 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 4.1182 4.3614 0.0000 C 0 0 3.2433 5.5333 0.0000 N 0 0 4.1057 6.7524 0.0000 C 0 0 3.7648 8.2172 0.0000 C 0 0 4.8899 9.2388 0.0000 C 0 0 6.3157 8.7891 0.0000 C 0 0 6.6511 7.3069 0.0000 C 0 0 5.5315 6.3027 0.0000 C 0 0 5.5384 4.8094 0.0000 S 0 0 7.7945 6.9425 0.0000 F 0 0 4.6329 10.4110 0.0000 F 0 0 2.6193 8.5747 0.0000 F 0 0 4.4530 -2.0330 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 13 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 27 1 0 13 14 1 0 14 15 1 0 15 23 1 0 15 16 2 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 18 26 1 0 19 20 1 0 19 25 1 0 20 21 2 0 21 22 1 0 21 24 1 0 22 23 1 0 M CHG 1 27 -1 M END > ZINC03814352 > 12 $$$$ SciTegic07110717172D 28 31 0 0 0 0 999 V2000 -3.2895 -1.2872 0.0000 C 0 0 -1.9819 -2.0840 0.0000 C 0 0 -0.6742 -1.2872 0.0000 C 0 0 -0.6742 0.2043 0.0000 C 0 0 -1.9819 0.9603 0.0000 C 0 0 -3.2895 0.2043 0.0000 C 0 0 -4.3289 0.8040 0.0000 F 0 0 0.6334 0.9603 0.0000 C 0 0 1 0 0 0 1.4711 2.1658 0.0000 C 0 0 0.5721 3.3916 0.0000 C 0 0 0.9283 4.5376 0.0000 O 0 0 -0.7764 2.9217 0.0000 N 0 0 -0.7764 1.4302 0.0000 C 0 0 -1.7499 0.7286 0.0000 O 0 0 1.9206 0.2043 0.0000 C 0 0 2.9620 0.8005 0.0000 O 0 0 1.9206 -1.2872 0.0000 N 0 0 0.6334 -2.0840 0.0000 C 0 0 0.6376 -3.2840 0.0000 O 0 0 3.2336 -2.0150 0.0000 C 0 0 3.2609 -3.5155 0.0000 C 0 0 1.9741 -4.2864 0.0000 C 0 0 1.9982 -5.7862 0.0000 C 0 0 3.3091 -6.5152 0.0000 C 0 0 4.5959 -5.7444 0.0000 C 0 0 4.5718 -4.2446 0.0000 C 0 0 5.6013 -3.6280 0.0000 F 0 0 3.3285 -7.7151 0.0000 Br 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 18 1 0 3 4 1 0 4 5 2 0 4 8 1 0 5 6 1 0 6 7 1 0 8 13 1 0 8 9 1 6 8 15 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 2 0 15 16 2 0 15 17 1 0 17 18 1 0 17 20 1 0 18 19 2 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 24 28 1 0 25 26 1 0 26 27 1 0 M END > ZINC01492564 > 13 $$$$ SciTegic07110717172D 29 32 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2964 -2.6973 0.0000 O 0 0 3.8942 -1.4964 0.0000 C 0 0 5.1929 -0.7441 0.0000 C 0 0 5.3201 0.7128 0.0000 N 0 0 6.7753 1.0483 0.0000 C 0 0 7.4961 2.3683 0.0000 C 0 0 9.0158 2.3815 0.0000 C 0 0 9.7803 1.0967 0.0000 C 0 0 9.0438 -0.2326 0.0000 C 0 0 7.5398 -0.2365 0.0000 C 0 0 6.5508 -1.3554 0.0000 S 0 0 9.7577 3.6861 0.0000 C 0 0 1 0 0 0 9.1518 4.7218 0.0000 F 0 0 10.9577 3.6934 0.0000 F 0 0 10.3516 4.7288 0.0000 F 0 0 1.2995 2.9981 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 2.6028 4.9467 0.0000 O 0 0 3.6385 3.1449 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 26 1 0 8 9 1 0 9 10 1 0 9 12 1 0 10 11 2 0 12 13 1 0 13 21 1 0 13 14 2 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 22 1 0 18 19 2 0 19 20 1 0 20 21 1 0 22 23 1 1 22 24 1 0 22 25 1 0 26 27 1 0 27 28 2 0 27 29 1 0 M CHG 1 29 -1 M END > ZINC03787356 > 14 $$$$