SciTegic07110717572D 19 20 0 0 0 0 999 V2000 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 2.5972 1.5031 0.0000 N 0 0 2.5951 3.0039 0.0000 O 0 0 3.8999 0.7576 0.0000 O 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.6375 0.9049 0.0000 O 0 0 -2.5951 3.0039 0.0000 N 0 0 -3.8933 3.7570 0.0000 C 0 0 -5.1925 3.0070 0.0000 C 0 0 -6.4915 3.7571 0.0000 C 0 0 -6.4915 5.2571 0.0000 N 0 0 -5.1924 6.0070 0.0000 C 0 0 -3.8934 5.2570 0.0000 C 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 19 1 0 4 5 2 0 4 10 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 10 11 2 0 10 12 1 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 17 18 1 0 M END > ZINC03832274 > 1 $$$$ SciTegic07110717572D 20 22 0 0 0 0 999 V2000 2.1783 2.6281 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 4.7275 1.3885 0.0000 C 0 0 6.2225 1.5110 0.0000 C 0 0 7.0761 0.2776 0.0000 C 0 0 6.4347 -1.0783 0.0000 C 0 0 4.9397 -1.2009 0.0000 C 0 0 -3.6202 -1.4892 0.0000 C 0 0 -4.9153 -0.7308 0.0000 C 0 0 -5.9586 -1.3238 0.0000 O 0 0 -4.9075 0.4692 0.0000 O 0 5 1 2 1 0 2 10 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 17 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 17 18 1 0 18 19 2 0 18 20 1 0 M CHG 1 20 -1 M END > ZINC03832303 > 2 $$$$ SciTegic07110717572D 25 27 0 0 0 0 999 V2000 2.5917 -6.0086 0.0000 C 0 0 3.8912 -5.2578 0.0000 N 0 0 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 3 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5988 1.5004 0.0000 C 0 0 -3.8990 0.7508 0.0000 C 0 0 2 0 0 0 -5.1129 -0.0667 0.0000 C 0 0 -6.2473 0.3247 0.0000 O 0 0 -4.6501 -1.4935 0.0000 N 0 0 -3.1501 -1.4942 0.0000 C 0 0 -2.4452 -2.4653 0.0000 O 0 0 -2.6859 -0.0678 0.0000 S 0 0 5.1894 -6.0109 0.0000 C 0 0 2 0 0 0 5.1895 -7.5109 0.0000 C 0 0 6.4885 -8.2610 0.0000 C 0 0 7.7875 -7.5110 0.0000 C 0 0 7.7876 -6.0110 0.0000 C 0 0 6.4885 -5.2610 0.0000 N 0 0 1 2 1 0 2 3 1 0 20 2 1 1 3 4 1 0 4 5 1 0 6 5 1 4 6 11 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 12 1 6 10 11 1 0 13 12 1 1 13 19 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 20 21 1 0 20 25 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 M END > ZINC03606204 > 3 $$$$ SciTegic07110717572D 28 31 0 0 0 0 999 V2000 4.8520 -1.2531 0.0000 C 0 0 4.0872 0.0382 0.0000 N 0 0 4.8208 1.3475 0.0000 C 0 0 6.3215 1.3677 0.0000 C 0 0 7.0552 2.6770 0.0000 O 0 0 8.5559 2.6972 0.0000 C 0 0 9.3208 1.4068 0.0000 C 0 0 10.8207 1.4240 0.0000 C 0 0 11.5558 2.7315 0.0000 C 0 0 10.7910 4.0219 0.0000 C 0 0 9.2911 4.0047 0.0000 C 0 0 13.0565 2.7486 0.0000 C 0 0 13.8226 1.4580 0.0000 C 0 0 1 0 0 0 14.4801 0.1506 0.0000 C 0 0 15.6607 -0.0642 0.0000 O 0 0 13.3774 -0.8663 0.0000 N 0 0 12.0695 -0.1319 0.0000 C 0 0 10.9792 -0.6330 0.0000 O 0 0 12.3639 1.3390 0.0000 S 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 O 0 0 1 2 1 0 2 3 1 0 2 20 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 12 1 0 10 11 1 0 13 12 1 1 13 19 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 20 28 1 0 20 21 2 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 M END > ZINC01482422 > 4 $$$$ SciTegic07110717572D 29 32 0 0 0 0 999 V2000 4.8082 -4.6653 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 6.4433 -1.8435 0.0000 C 0 0 7.3243 -3.0586 0.0000 C 0 0 8.8172 -2.9040 0.0000 O 0 0 9.6982 -4.1191 0.0000 C 0 0 9.0841 -5.4877 0.0000 C 0 0 9.9621 -6.7038 0.0000 C 0 0 11.4544 -6.5515 0.0000 C 0 0 12.0685 -5.1830 0.0000 C 0 0 11.1905 -3.9668 0.0000 C 0 0 12.3329 -7.7683 0.0000 C 0 0 11.7192 -9.1379 0.0000 C 0 0 1 0 0 0 11.0293 -10.4286 0.0000 C 0 0 11.5339 -11.5173 0.0000 O 0 0 9.5629 -10.1130 0.0000 N 0 0 9.4098 -8.6209 0.0000 C 0 0 8.3721 -8.0183 0.0000 O 0 0 10.7816 -8.0142 0.0000 S 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 13 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 23 22 1 1 23 29 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 M END > ZINC03806787 > 5 $$$$ SciTegic07110717572D 31 33 0 0 0 0 999 V2000 2.5890 -7.5056 0.0000 C 0 0 2.5894 -6.0047 0.0000 C 0 0 1.2912 -5.2516 0.0000 C 0 0 -0.0105 -5.9986 0.0000 C 0 0 -0.0134 -7.1986 0.0000 O 0 0 -1.3088 -5.2455 0.0000 C 0 0 -1.3026 -3.7455 0.0000 C 0 0 -2.5985 -2.9901 0.0000 C 0 0 -3.9006 -3.7348 0.0000 C 0 0 -3.9068 -5.2348 0.0000 C 0 0 -2.6109 -5.9901 0.0000 C 0 0 3.8912 -5.2578 0.0000 N 0 0 5.1894 -6.0109 0.0000 C 0 0 1 0 0 0 5.1873 -7.5117 0.0000 C 0 0 6.4855 -8.2648 0.0000 C 0 0 7.7860 -7.5175 0.0000 C 0 0 9.0835 -8.2701 0.0000 C 0 0 9.0805 -9.7701 0.0000 C 0 0 7.7799 -10.5175 0.0000 C 0 0 6.4824 -9.7648 0.0000 C 0 0 10.3771 -10.5259 0.0000 O 0 0 10.3719 -12.0267 0.0000 C 0 0 11.6686 -12.7825 0.0000 C 0 0 12.9707 -12.0378 0.0000 C 0 0 14.2666 -12.7931 0.0000 C 0 0 14.2604 -14.2931 0.0000 C 0 0 12.9583 -15.0378 0.0000 C 0 0 11.6624 -14.2825 0.0000 C 0 0 5.1942 -4.4809 0.0000 C 0 0 6.2350 -3.8836 0.0000 O 0 0 4.1567 -3.8780 0.0000 O 0 5 1 2 1 0 2 3 1 0 2 12 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 13 12 1 6 13 14 1 0 13 29 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 21 22 1 0 22 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 29 30 2 0 29 31 1 0 M CHG 1 31 -1 M END > ZINC04617934 > 6 $$$$