SciTegic07110717162D 11 10 0 0 0 0 999 V2000 2.6000 -1.2000 0.0000 C 0 0 2.6000 0.0000 0.0000 C 0 0 1 0 0 0 1.3000 0.7500 0.0000 C 0 0 0.2606 0.1503 0.0000 O 0 0 3.9000 0.7500 0.0000 N 0 0 5.2000 0.0000 0.0000 C 0 0 5.2000 -1.2000 0.0000 O 0 0 6.5000 0.7500 0.0000 C 0 0 7.7999 0.0000 0.0000 C 0 0 8.8394 0.5997 0.0000 S 0 0 1.3000 1.9500 0.0000 O 0 5 2 1 1 1 2 3 1 0 2 5 1 0 3 4 2 0 3 11 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 M CHG 1 11 -1 M END > ZINC03814157 > 0 $$$$ SciTegic07110717162D 13 13 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 C 0 0 -0.7500 -1.0323 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 2 0 0 0 0.0000 1.2760 0.0000 N 0 0 1.2135 0.3943 0.0000 C 0 0 0.0031 2.7742 0.0000 C 0 0 -1.0351 3.3760 0.0000 O 0 0 1.3039 3.5228 0.0000 C 0 0 1.3070 5.0236 0.0000 C 0 0 2.3471 5.6221 0.0000 S 0 0 -2.6375 0.8602 0.0000 C 0 0 -2.8853 2.0344 0.0000 O 0 0 -3.5307 0.0588 0.0000 O 0 5 1 5 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 11 1 1 4 5 1 0 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 11 13 1 0 M CHG 1 13 -1 M END > ZINC03814167 > 1 $$$$ SciTegic07110717162D 13 13 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 C 0 0 -0.7500 -1.0323 0.0000 C 0 0 -1.2135 0.3943 0.0000 N 0 0 0.0000 1.2760 0.0000 C 0 0 1.2135 0.3943 0.0000 C 0 0 0.0031 2.7742 0.0000 C 0 0 1.0432 3.3727 0.0000 O 0 0 -2.6394 0.8543 0.0000 C 0 0 -2.8910 2.0276 0.0000 O 0 0 -3.7533 -0.1515 0.0000 C 0 0 -5.1816 0.3093 0.0000 C 0 0 -6.0722 -0.4950 0.0000 S 0 0 -1.0351 3.3760 0.0000 O 0 5 1 5 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 0 4 5 2 0 4 6 1 0 6 7 2 0 6 13 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 M CHG 1 13 -1 M END > ZINC03814162 > 1 $$$$ SciTegic07110717162D 14 14 0 0 0 0 999 V2000 -0.1779 -3.7398 0.0000 C 0 0 1.0157 -3.6164 0.0000 C 0 0 1 0 0 0 1.8954 -4.8324 0.0000 C 0 0 1.4057 -5.9280 0.0000 S 0 0 1.6281 -2.2462 0.0000 C 0 0 2.8218 -2.1229 0.0000 O 0 0 0.7500 -1.0323 0.0000 N 0 0 -0.7500 -1.0323 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 0.0000 1.2760 0.0000 C 0 0 1.2135 0.3943 0.0000 C 0 0 2 0 0 0 2.6394 0.8543 0.0000 C 0 0 3.5300 0.0501 0.0000 O 0 0 2.8910 2.0277 0.0000 O 0 5 2 1 1 6 2 3 1 0 2 5 1 0 3 4 1 0 5 6 2 0 5 7 1 0 7 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 6 12 13 2 0 12 14 1 0 M CHG 1 14 -1 M END > ZINC03814191 > 1 $$$$ SciTegic07110717162D 14 14 0 0 0 0 999 V2000 -0.1779 -3.7398 0.0000 C 0 0 1.0157 -3.6164 0.0000 C 0 0 2 0 0 0 1.8954 -4.8324 0.0000 C 0 0 1.4057 -5.9280 0.0000 S 0 0 1.6281 -2.2462 0.0000 C 0 0 2.8218 -2.1229 0.0000 O 0 0 0.7500 -1.0323 0.0000 N 0 0 -0.7500 -1.0323 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 0.0000 1.2760 0.0000 C 0 0 1.2135 0.3943 0.0000 C 0 0 1 0 0 0 2.6394 0.8543 0.0000 C 0 0 3.5300 0.0501 0.0000 O 0 0 2.8910 2.0277 0.0000 O 0 5 2 1 1 1 2 3 1 0 2 5 1 0 3 4 1 0 5 6 2 0 5 7 1 0 7 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 1 12 13 2 0 12 14 1 0 M CHG 1 14 -1 M END > ZINC03812885 > 1 $$$$ SciTegic07110717162D 17 17 0 0 0 0 999 V2000 -0.1779 -3.7398 0.0000 C 0 0 1.0157 -3.6164 0.0000 C 0 0 1 0 0 0 1.6281 -2.2462 0.0000 C 0 0 2.8218 -2.1229 0.0000 O 0 0 0.7500 -1.0323 0.0000 N 0 0 -0.7500 -1.0323 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 0.0000 1.2760 0.0000 C 0 0 1.2135 0.3943 0.0000 C 0 0 1 0 0 0 2.6394 0.8543 0.0000 C 0 0 3.5300 0.0501 0.0000 O 0 0 1.8954 -4.8324 0.0000 N 0 0 1.2830 -6.2026 0.0000 P 0 0 1.9863 -7.1749 0.0000 O 0 0 2.8910 2.0277 0.0000 O 0 5 0.0893 -6.3260 0.0000 O 0 0 0.7928 -7.2979 0.0000 O 0 0 2 1 1 1 2 3 1 0 2 12 1 0 3 4 2 0 3 5 1 0 5 9 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 1 10 11 2 0 10 15 1 0 12 13 1 0 13 14 2 0 13 16 1 0 13 17 1 0 M CHG 1 15 -1 M END > ZINC03814158 > 1 $$$$ SciTegic07110717162D 17 17 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 1 0 0 0 -1.2956 3.7547 0.0000 C 0 0 -1.2952 4.9547 0.0000 O 0 0 -3.8933 3.7570 0.0000 O 0 0 -3.8912 5.2578 0.0000 C 0 0 -2.8509 5.8560 0.0000 O 0 0 -5.1894 6.0109 0.0000 C 0 0 -5.1873 7.5117 0.0000 C 0 0 -6.2253 8.1138 0.0000 S 0 0 -0.2564 3.1547 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 8 7 1 6 8 9 1 0 8 11 1 0 9 10 2 0 9 17 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 M CHG 1 17 -1 M END > ZINC03814161 > 1 $$$$ SciTegic07110717162D 17 17 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 1 0 0 0 -1.2956 3.7547 0.0000 C 0 0 -1.2952 4.9547 0.0000 O 0 0 -3.8933 3.7570 0.0000 N 0 0 -3.8912 5.2578 0.0000 C 0 0 -2.8509 5.8560 0.0000 O 0 0 -5.1894 6.0109 0.0000 C 0 0 -5.1873 7.5117 0.0000 C 0 0 -6.2253 8.1138 0.0000 S 0 0 -0.2564 3.1547 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 8 7 1 6 8 9 1 0 8 11 1 0 9 10 2 0 9 17 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 M CHG 1 17 -1 M END > ZINC03814164 > 1 $$$$ SciTegic07110717162D 19 19 0 0 0 0 999 V2000 2.5958 -2.7022 0.0000 C 0 0 2.5978 -1.5022 0.0000 C 0 0 1 0 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 3.8990 -0.7543 0.0000 C 0 0 2 0 0 0 3.8984 0.7465 0.0000 C 0 0 2.8594 1.3468 0.0000 S 0 0 5.1978 -1.5065 0.0000 C 0 0 5.1958 -2.7065 0.0000 O 0 0 6.4990 -0.7587 0.0000 N 0 0 7.7977 -1.5108 0.0000 C 0 0 1 0 0 0 7.7957 -2.7108 0.0000 C 0 0 9.0990 -0.7630 0.0000 C 0 0 10.1374 -1.3644 0.0000 O 0 0 9.1010 0.4370 0.0000 O 0 5 2 1 1 1 2 3 1 0 2 9 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 9 10 1 6 9 12 1 0 10 11 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 6 15 17 1 0 17 18 2 0 17 19 1 0 M CHG 1 19 -1 M END > ZINC01535869 > 1 $$$$ SciTegic07110717162D 19 19 0 0 0 0 999 V2000 2.5958 -2.7022 0.0000 C 0 0 2.5978 -1.5022 0.0000 C 0 0 1 0 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 3.8990 -0.7543 0.0000 C 0 0 1 0 0 0 3.8984 0.7465 0.0000 C 0 0 2.8594 1.3468 0.0000 S 0 0 5.1978 -1.5065 0.0000 C 0 0 5.1958 -2.7065 0.0000 O 0 0 6.4990 -0.7587 0.0000 N 0 0 7.7977 -1.5108 0.0000 C 0 0 1 0 0 0 7.7957 -2.7108 0.0000 C 0 0 9.0990 -0.7630 0.0000 C 0 0 10.1374 -1.3644 0.0000 O 0 0 9.1010 0.4370 0.0000 O 0 5 2 1 1 1 2 3 1 0 2 9 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 9 10 1 1 9 12 1 0 10 11 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 6 15 17 1 0 17 18 2 0 17 19 1 0 M CHG 1 19 -1 M END > ZINC03814200 > 1 $$$$ SciTegic07110717162D 19 19 0 0 0 0 999 V2000 2.5958 -2.7022 0.0000 C 0 0 2.5978 -1.5022 0.0000 C 0 0 2 0 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 3.8990 -0.7543 0.0000 C 0 0 2 0 0 0 3.8984 0.7465 0.0000 C 0 0 2.8594 1.3468 0.0000 S 0 0 5.1978 -1.5065 0.0000 C 0 0 5.1958 -2.7065 0.0000 O 0 0 6.4990 -0.7587 0.0000 N 0 0 7.7977 -1.5108 0.0000 C 0 0 1 0 0 0 7.7957 -2.7108 0.0000 C 0 0 9.0990 -0.7630 0.0000 C 0 0 10.1374 -1.3644 0.0000 O 0 0 9.1010 0.4370 0.0000 O 0 5 2 1 1 6 2 3 1 0 2 9 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 9 10 1 6 9 12 1 0 10 11 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 6 15 17 1 0 17 18 2 0 17 19 1 0 M CHG 1 19 -1 M END > ZINC03814197 > 1 $$$$ SciTegic07110717162D 19 19 0 0 0 0 999 V2000 2.5958 -2.7022 0.0000 C 0 0 2.5978 -1.5022 0.0000 C 0 0 2 0 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 3.8990 -0.7543 0.0000 C 0 0 1 0 0 0 3.8984 0.7465 0.0000 C 0 0 2.8594 1.3468 0.0000 S 0 0 5.1978 -1.5065 0.0000 C 0 0 5.1958 -2.7065 0.0000 O 0 0 6.4990 -0.7587 0.0000 N 0 0 7.7977 -1.5108 0.0000 C 0 0 1 0 0 0 7.7957 -2.7108 0.0000 C 0 0 9.0990 -0.7630 0.0000 C 0 0 10.1374 -1.3644 0.0000 O 0 0 9.1010 0.4370 0.0000 O 0 5 2 1 1 6 2 3 1 0 2 9 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 9 10 1 1 9 12 1 0 10 11 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 6 15 17 1 0 17 18 2 0 17 19 1 0 M CHG 1 19 -1 M END > ZINC03814194 > 1 $$$$ SciTegic07110717162D 16 17 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 C 0 0 -0.7500 -1.0323 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 2 0 0 0 0.0000 1.2760 0.0000 C 0 0 1 0 0 0 1.2135 0.3943 0.0000 C 0 0 0.0000 2.4760 0.0000 S 0 0 -2.6375 0.8602 0.0000 C 0 0 -3.5307 0.0588 0.0000 O 0 0 -2.9474 2.3287 0.0000 N 0 0 -1.9353 3.4185 0.0000 C 0 0 -2.6808 4.7202 0.0000 C 0 0 -4.1491 4.4134 0.0000 C 0 0 -4.3111 2.9222 0.0000 C 0 0 1 0 0 0 -5.6039 2.1650 0.0000 C 0 0 -5.5971 0.9650 0.0000 O 0 0 -6.6467 2.7588 0.0000 O 0 5 1 5 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 7 1 1 4 5 1 0 4 6 1 6 7 8 2 0 7 9 1 0 9 13 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 6 14 15 2 0 14 16 1 0 M CHG 1 16 -1 M END > ZINC03814170 > 2 $$$$ SciTegic07110717162D 16 17 0 0 0 0 999 V2000 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 2 0 0 0 0.2917 -0.7475 0.0000 N 0 0 0.2917 0.7475 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 4.0872 0.0320 0.0000 C 0 0 4.6976 -1.0012 0.0000 S 0 0 -0.9909 -3.0137 0.0000 C 0 0 0.0526 -3.6061 0.0000 O 0 0 -2.0256 -3.6216 0.0000 O 0 5 1 6 1 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 14 1 6 5 10 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 12 1 0 10 11 2 0 12 13 1 0 14 15 2 0 14 16 1 0 M CHG 1 16 -1 M END > ZINC03814160 > 3 $$$$ SciTegic07110717162D 18 19 0 0 0 0 999 V2000 4.4505 2.0415 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 2 0 0 0 4.1182 4.3614 0.0000 C 0 0 5.2926 4.6080 0.0000 S 0 0 2.1812 2.6271 0.0000 C 0 0 1.3808 3.5211 0.0000 O 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1 0 0 0 4.0872 0.0382 0.0000 C 0 0 4.6738 1.0851 0.0000 O 0 0 4.7008 -0.9930 0.0000 O 0 5 2 1 1 1 2 3 1 0 2 5 1 0 3 4 1 0 5 6 2 0 5 7 1 0 7 15 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 6 16 17 2 0 16 18 1 0 M CHG 1 18 -1 M END > ZINC03814179 > 3 $$$$ SciTegic07110717162D 18 19 0 0 0 0 999 V2000 3.1649 1.0710 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1 0 0 0 1.7138 1.2033 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 0.2917 0.7475 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 2 0 0 0 0.2917 -0.7475 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 -0.9909 -3.0137 0.0000 C 0 0 0.0526 -3.6061 0.0000 O 0 0 3.3214 -1.2765 0.0000 C 0 0 2.5809 -2.5819 0.0000 C 0 0 3.1881 -3.6169 0.0000 S 0 0 -2.0256 -3.6216 0.0000 O 0 5 2 1 1 6 2 11 1 0 2 3 1 0 2 15 1 0 3 4 2 0 3 5 1 0 5 10 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 13 1 6 10 11 1 0 11 12 2 0 13 14 2 0 13 18 1 0 15 16 1 0 16 17 1 0 M CHG 1 18 -1 M END > ZINC03814168 > 3 $$$$ SciTegic07110717162D 19 20 0 0 0 0 999 V2000 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 2 0 0 0 0.2917 -0.7475 0.0000 N 0 0 0.2917 0.7475 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 4.0872 0.0320 0.0000 C 0 0 4.8506 -1.2602 0.0000 C 0 0 6.3513 -1.2462 0.0000 C 0 0 6.9616 -2.2794 0.0000 O 0 0 -0.9909 -3.0137 0.0000 C 0 0 0.0526 -3.6061 0.0000 O 0 0 6.9413 -0.2013 0.0000 O 0 5 -2.0256 -3.6216 0.0000 O 0 5 1 6 1 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 16 1 6 5 10 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 12 1 0 10 11 2 0 12 13 1 0 13 14 1 0 14 15 2 0 14 18 1 0 16 17 2 0 16 19 1 0 M CHG 2 18 -1 19 -1 M END > ZINC03814186 > 3 $$$$ SciTegic07110717162D 19 20 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1812 2.6271 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 1 0 0 0 4.6534 1.8194 0.0000 C 0 0 5.8276 2.0673 0.0000 O 0 0 4.1182 4.3614 0.0000 N 0 0 5.5870 4.6698 0.0000 C 0 0 6.3875 3.7758 0.0000 O 0 0 6.0553 6.0958 0.0000 C 0 0 7.2296 6.3423 0.0000 S 0 0 4.2814 0.6786 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 11 10 1 6 11 12 1 0 11 14 1 0 12 13 2 0 12 19 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 M CHG 1 19 -1 M END > ZINC03814159 > 3 $$$$ SciTegic07110717162D 19 20 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 0.2917 -0.7475 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -0.9991 2.7132 0.0000 O 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 1 0 0 0 2.1796 -2.6273 0.0000 C 0 0 1.3789 -3.5211 0.0000 O 0 0 -3.6217 -1.4865 0.0000 C 0 0 -4.9153 -0.7255 0.0000 C 0 0 -6.2216 -1.4644 0.0000 C 0 0 -7.2559 -0.8558 0.0000 O 0 0 3.3539 -2.8742 0.0000 O 0 5 -6.2318 -2.6643 0.0000 O 0 5 1 7 1 0 1 2 2 0 2 3 1 0 2 14 1 0 3 4 2 0 3 5 1 0 5 11 1 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 1 0 10 11 1 0 11 12 1 1 12 13 2 0 12 18 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 19 1 0 M CHG 2 18 -1 19 -1 M END > ZINC03814163 > 3 $$$$ SciTegic07110717162D 20 21 0 0 0 0 999 V2000 5.2548 6.9898 0.0000 C 0 0 6.0553 6.0958 0.0000 C 0 0 1 0 0 0 5.5870 4.6698 0.0000 C 0 0 6.3875 3.7758 0.0000 O 0 0 4.1182 4.3614 0.0000 N 0 0 3.6500 2.9355 0.0000 C 0 0 1 0 0 0 2.1812 2.6271 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 4.6488 1.8153 0.0000 C 0 0 4.2732 0.6756 0.0000 O 0 0 7.2296 6.3423 0.0000 S 0 0 5.8237 2.0595 0.0000 O 0 5 2 1 1 6 2 3 1 0 2 19 1 0 3 4 2 0 3 5 1 0 6 5 1 6 6 7 1 0 6 17 1 0 7 8 1 0 8 12 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 17 18 2 0 17 20 1 0 M CHG 1 20 -1 M END > ZINC03814165 > 3 $$$$ SciTegic07110717162D 20 21 0 0 0 0 999 V2000 5.2548 6.9898 0.0000 C 0 0 6.0553 6.0958 0.0000 C 0 0 2 0 0 0 5.5870 4.6698 0.0000 C 0 0 6.3875 3.7758 0.0000 O 0 0 4.1182 4.3614 0.0000 N 0 0 3.6500 2.9355 0.0000 C 0 0 1 0 0 0 2.1812 2.6271 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 4.6488 1.8153 0.0000 C 0 0 4.2732 0.6756 0.0000 O 0 0 7.2296 6.3423 0.0000 S 0 0 5.8237 2.0595 0.0000 O 0 5 2 1 1 1 2 3 1 0 2 19 1 0 3 4 2 0 3 5 1 0 6 5 1 6 6 7 1 0 6 17 1 0 7 8 1 0 8 12 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 17 18 2 0 17 20 1 0 M CHG 1 20 -1 M END > ZINC03814169 > 3 $$$$ SciTegic07110717162D 21 22 0 0 0 0 999 V2000 5.2548 6.9898 0.0000 C 0 0 6.0553 6.0958 0.0000 C 0 0 1 0 0 0 7.5241 6.4042 0.0000 C 0 0 7.8984 7.5443 0.0000 S 0 0 5.5870 4.6698 0.0000 C 0 0 6.3875 3.7758 0.0000 O 0 0 4.1182 4.3614 0.0000 N 0 0 3.6500 2.9355 0.0000 C 0 0 1 0 0 0 2.1812 2.6271 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 4.6488 1.8153 0.0000 C 0 0 4.2732 0.6756 0.0000 O 0 0 5.8237 2.0595 0.0000 O 0 5 2 1 1 1 2 3 1 0 2 5 1 0 3 4 1 0 5 6 2 0 5 7 1 0 8 7 1 6 8 9 1 0 8 19 1 0 9 10 1 0 10 14 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 2 0 19 21 1 0 M CHG 1 21 -1 M END > ZINC03814172 > 3 $$$$ SciTegic07110717162D 17 18 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2964 -2.6973 0.0000 O 0 0 2.5929 -0.7486 0.0000 C 0 0 2 0 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 2.6973 0.0000 O 0 0 0.0000 0.7486 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 3.8911 -1.5017 0.0000 C 0 0 3.8894 -2.7017 0.0000 S 0 0 -1.2845 -2.9981 0.0000 C 0 0 -0.2409 -3.5904 0.0000 O 0 0 -2.3191 -3.6061 0.0000 O 0 5 1 12 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 15 1 6 4 11 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 7 13 1 6 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 13 14 1 0 15 16 2 0 15 17 1 0 M CHG 1 17 -1 M END > ZINC03814171 > 4 $$$$ SciTegic07110717162D 20 21 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 2 0 0 0 1.2121 3.8625 0.0000 N 0 0 0.7463 5.2884 0.0000 C 0 0 1 0 0 0 -0.7536 5.2860 0.0000 C 0 0 -1.2149 3.8587 0.0000 S 0 0 1.6276 6.5001 0.0000 C 0 0 2.8210 6.3748 0.0000 O 0 0 2.6351 3.3939 0.0000 C 0 0 2.8795 2.2190 0.0000 O 0 0 3.7552 4.3929 0.0000 C 0 0 5.1806 3.9234 0.0000 C 0 0 6.0762 4.7221 0.0000 S 0 0 -2.3383 1.3500 0.0000 O 0 0 1.1397 7.5964 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 19 1 0 5 6 1 0 7 5 1 1 7 11 1 0 7 8 1 0 8 9 1 0 8 14 1 0 9 10 1 0 9 12 1 1 10 11 1 0 12 13 2 0 12 20 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 M CHG 1 20 -1 M END > ZINC03814177 > 5 $$$$ SciTegic07110717162D 24 25 0 0 0 0 999 V2000 6.5772 0.2566 0.0000 C 0 0 5.6819 1.0556 0.0000 C 0 0 2 0 0 0 5.9880 2.5249 0.0000 C 0 0 7.1276 2.9011 0.0000 S 0 0 4.2568 0.5852 0.0000 C 0 0 3.3615 1.3843 0.0000 O 0 0 3.9511 -0.8815 0.0000 N 0 0 4.9531 -1.9978 0.0000 C 0 0 1 0 0 0 4.2010 -3.2956 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 1 0 0 0 2.5987 -1.5004 0.0000 C 0 0 2 0 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1.6096 -3.9713 0.0000 C 0 0 1.8461 -5.1477 0.0000 O 0 0 0.1873 -3.4922 0.0000 O 0 0 -0.7135 -4.2850 0.0000 C 0 0 6.4430 -1.8405 0.0000 C 0 0 6.9313 -0.7443 0.0000 O 0 0 7.1485 -2.8111 0.0000 O 0 5 2 1 1 1 2 3 1 0 2 5 1 0 3 4 1 0 5 6 2 0 5 7 1 0 7 11 1 0 7 8 1 0 8 9 1 0 8 22 1 6 9 10 1 0 10 11 1 0 10 18 1 6 11 12 1 6 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 18 19 2 0 18 20 1 0 20 21 1 0 22 23 2 0 22 24 1 0 M CHG 1 24 -1 M END > ZINC03814189 > 5 $$$$ SciTegic07110717162D 24 25 0 0 0 0 999 V2000 6.2297 -5.4127 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 1 0 0 0 5.1873 -7.5117 0.0000 C 0 0 4.1470 -8.1099 0.0000 O 0 0 6.4855 -8.2648 0.0000 N 0 0 7.8369 -7.6438 0.0000 C 0 0 8.8406 -8.7585 0.0000 C 0 0 8.0906 -10.0575 0.0000 C 0 0 6.6233 -9.7456 0.0000 C 0 0 1 0 0 0 5.5003 -10.7372 0.0000 C 0 0 4.3624 -10.3560 0.0000 O 0 0 3.8912 -5.2578 0.0000 N 0 0 3.8933 -3.7570 0.0000 P 0 0 4.9336 -3.1588 0.0000 O 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 5.7386 -11.9133 0.0000 O 0 5 4.9316 -4.3586 0.0000 O 0 0 2 1 1 1 2 3 1 0 2 12 1 0 3 4 2 0 3 5 1 0 5 9 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 1 10 11 2 0 10 23 1 0 12 13 1 0 13 14 2 0 13 15 1 0 13 24 1 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M CHG 1 23 -1 M END > ZINC03814176 > 6 $$$$ SciTegic07110717162D 24 25 0 0 0 0 999 V2000 6.2297 -5.4127 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 1 0 0 0 5.1873 -7.5117 0.0000 C 0 0 4.1470 -8.1099 0.0000 O 0 0 6.4855 -8.2648 0.0000 N 0 0 7.8369 -7.6438 0.0000 C 0 0 8.8406 -8.7585 0.0000 C 0 0 8.0906 -10.0575 0.0000 C 0 0 6.6233 -9.7456 0.0000 C 0 0 1 0 0 0 5.5003 -10.7372 0.0000 C 0 0 4.3624 -10.3560 0.0000 O 0 0 3.8912 -5.2578 0.0000 N 0 0 3.8933 -3.7570 0.0000 C 0 0 4.9336 -3.1588 0.0000 O 0 0 2.5951 -3.0039 0.0000 C 0 0 2 0 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1.5548 -3.6021 0.0000 S 0 0 5.7386 -11.9133 0.0000 O 0 5 2 1 1 1 2 3 1 0 2 12 1 0 3 4 2 0 3 5 1 0 5 9 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 1 10 11 2 0 10 24 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 15 23 1 1 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M CHG 1 24 -1 M END > ZINC03775164 > 6 $$$$ SciTegic07110717162D 25 26 0 0 0 0 999 V2000 6.2297 -5.4127 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 1 0 0 0 5.1873 -7.5117 0.0000 C 0 0 4.1470 -8.1099 0.0000 O 0 0 6.4855 -8.2648 0.0000 N 0 0 7.8369 -7.6438 0.0000 C 0 0 8.8406 -8.7585 0.0000 C 0 0 8.0906 -10.0575 0.0000 C 0 0 6.6233 -9.7456 0.0000 C 0 0 1 0 0 0 5.5003 -10.7372 0.0000 C 0 0 4.3624 -10.3560 0.0000 O 0 0 3.8933 -3.7570 0.0000 C 0 0 1 0 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 5.1959 -3.0115 0.0000 C 0 0 6.2333 -3.6148 0.0000 O 0 0 5.7386 -11.9133 0.0000 O 0 5 3.8912 -5.2578 0.0000 N 0 3 5.2001 -1.8115 0.0000 O 0 5 2 1 1 1 2 3 1 0 2 24 1 0 3 4 2 0 3 5 1 0 5 9 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 1 10 11 2 0 10 23 1 0 12 13 1 1 12 21 1 0 12 24 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 21 22 2 0 21 25 1 0 M CHG 3 23 -1 24 1 25 -1 M END > ZINC03812851 > 6 $$$$ SciTegic07110717162D 26 27 0 0 0 0 999 V2000 6.2297 -5.4127 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 1 0 0 0 5.1873 -7.5117 0.0000 C 0 0 4.1470 -8.1099 0.0000 O 0 0 6.4855 -8.2648 0.0000 N 0 0 7.8369 -7.6438 0.0000 C 0 0 8.8406 -8.7585 0.0000 C 0 0 8.0906 -10.0575 0.0000 C 0 0 6.6233 -9.7456 0.0000 C 0 0 1 0 0 0 5.5003 -10.7372 0.0000 C 0 0 4.3624 -10.3560 0.0000 O 0 0 3.8933 -3.7570 0.0000 C 0 0 1 0 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 5.1959 -3.0115 0.0000 C 0 0 6.2333 -3.6148 0.0000 O 0 0 5.7386 -11.9133 0.0000 O 0 5 3.8912 -5.2578 0.0000 N 0 3 5.2001 -1.8115 0.0000 O 0 5 2 1 1 1 2 3 1 0 2 25 1 0 3 4 2 0 3 5 1 0 5 9 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 1 10 11 2 0 10 24 1 0 12 13 1 1 12 22 1 0 12 25 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 22 23 2 0 22 26 1 0 M CHG 3 24 -1 25 1 26 -1 M END > ZINC03814183 > 6 $$$$ SciTegic07110717162D 27 28 0 0 0 0 999 V2000 8.8332 -3.6238 0.0000 C 0 0 7.7959 -3.0206 0.0000 C 0 0 6.4933 -3.7660 0.0000 O 0 0 5.1959 -3.0115 0.0000 C 0 0 5.2001 -1.8115 0.0000 O 0 0 3.8933 -3.7570 0.0000 C 0 0 2 0 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 1 0 0 0 6.2297 -5.4127 0.0000 C 0 0 5.1873 -7.5117 0.0000 C 0 0 4.1470 -8.1099 0.0000 O 0 0 6.4855 -8.2648 0.0000 N 0 0 7.8369 -7.6438 0.0000 C 0 0 8.8406 -8.7585 0.0000 C 0 0 8.0906 -10.0575 0.0000 C 0 0 6.6233 -9.7456 0.0000 C 0 0 2 0 0 0 5.5003 -10.7372 0.0000 C 0 0 4.3624 -10.3560 0.0000 O 0 0 3.8912 -5.2578 0.0000 N 0 3 5.7386 -11.9133 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 1 6 26 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 15 16 1 1 15 17 1 0 15 26 1 0 17 18 2 0 17 19 1 0 19 23 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 6 24 25 2 0 24 27 1 0 M CHG 2 26 1 27 -1 M END > ZINC03814199 > 6 $$$$ SciTegic07110717162D 25 26 0 0 0 0 999 V2000 2.5958 -2.7022 0.0000 C 0 0 2.5978 -1.5022 0.0000 C 0 0 2 0 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 3.8990 -0.7543 0.0000 C 0 0 1 0 0 0 3.8984 0.7465 0.0000 C 0 0 2.8594 1.3468 0.0000 S 0 0 5.1978 -1.5065 0.0000 C 0 0 5.1958 -2.7065 0.0000 O 0 0 6.4990 -0.7587 0.0000 N 0 0 7.7977 -1.5108 0.0000 C 0 0 1 0 0 0 9.0990 -0.7630 0.0000 C 0 0 10.3977 -1.5152 0.0000 C 0 0 10.3927 -3.0152 0.0000 C 0 0 11.6892 -3.7696 0.0000 C 0 0 12.9908 -3.0240 0.0000 C 0 0 12.9959 -1.5240 0.0000 C 0 0 11.6994 -0.7696 0.0000 C 0 0 7.7983 -3.0117 0.0000 C 0 0 8.8374 -3.6119 0.0000 O 0 0 6.7591 -3.6117 0.0000 O 0 5 2 1 1 6 2 3 1 0 2 9 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 9 10 1 1 9 12 1 0 10 11 1 0 12 13 2 0 12 14 1 0 15 14 1 1 15 16 1 0 15 23 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 23 24 2 0 23 25 1 0 M CHG 1 25 -1 M END > ZINC03814192 > 7 $$$$ SciTegic07110717162D 25 26 0 0 0 0 999 V2000 2.5958 -2.7022 0.0000 C 0 0 2.5978 -1.5022 0.0000 C 0 0 1 0 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 3.8990 -0.7543 0.0000 C 0 0 2 0 0 0 3.8984 0.7465 0.0000 C 0 0 2.8594 1.3468 0.0000 S 0 0 5.1978 -1.5065 0.0000 C 0 0 5.1958 -2.7065 0.0000 O 0 0 6.4990 -0.7587 0.0000 N 0 0 7.7977 -1.5108 0.0000 C 0 0 1 0 0 0 9.0990 -0.7630 0.0000 C 0 0 10.3977 -1.5152 0.0000 C 0 0 10.3927 -3.0152 0.0000 C 0 0 11.6892 -3.7696 0.0000 C 0 0 12.9908 -3.0240 0.0000 C 0 0 12.9959 -1.5240 0.0000 C 0 0 11.6994 -0.7696 0.0000 C 0 0 7.7983 -3.0117 0.0000 C 0 0 8.8374 -3.6119 0.0000 O 0 0 6.7591 -3.6117 0.0000 O 0 5 2 1 1 1 2 3 1 0 2 9 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 9 10 1 6 9 12 1 0 10 11 1 0 12 13 2 0 12 14 1 0 15 14 1 1 15 16 1 0 15 23 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 23 24 2 0 23 25 1 0 M CHG 1 25 -1 M END > ZINC03814195 > 7 $$$$ SciTegic07110717162D 25 26 0 0 0 0 999 V2000 2.5958 -2.7022 0.0000 C 0 0 2.5978 -1.5022 0.0000 C 0 0 2 0 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 3.8990 -0.7543 0.0000 C 0 0 2 0 0 0 3.8984 0.7465 0.0000 C 0 0 2.8594 1.3468 0.0000 S 0 0 5.1978 -1.5065 0.0000 C 0 0 5.1958 -2.7065 0.0000 O 0 0 6.4990 -0.7587 0.0000 N 0 0 7.7977 -1.5108 0.0000 C 0 0 1 0 0 0 9.0990 -0.7630 0.0000 C 0 0 10.3977 -1.5152 0.0000 C 0 0 10.3927 -3.0152 0.0000 C 0 0 11.6892 -3.7696 0.0000 C 0 0 12.9908 -3.0240 0.0000 C 0 0 12.9959 -1.5240 0.0000 C 0 0 11.6994 -0.7696 0.0000 C 0 0 7.7983 -3.0117 0.0000 C 0 0 8.8374 -3.6119 0.0000 O 0 0 6.7591 -3.6117 0.0000 O 0 5 2 1 1 6 2 3 1 0 2 9 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 9 10 1 6 9 12 1 0 10 11 1 0 12 13 2 0 12 14 1 0 15 14 1 1 15 16 1 0 15 23 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 23 24 2 0 23 25 1 0 M CHG 1 25 -1 M END > ZINC03814196 > 7 $$$$ SciTegic07110717162D 25 26 0 0 0 0 999 V2000 2.5958 -2.7022 0.0000 C 0 0 2.5978 -1.5022 0.0000 C 0 0 1 0 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 3.8990 -0.7543 0.0000 C 0 0 1 0 0 0 3.8984 0.7465 0.0000 C 0 0 2.8594 1.3468 0.0000 S 0 0 5.1978 -1.5065 0.0000 C 0 0 5.1958 -2.7065 0.0000 O 0 0 6.4990 -0.7587 0.0000 N 0 0 7.7977 -1.5108 0.0000 C 0 0 1 0 0 0 9.0990 -0.7630 0.0000 C 0 0 10.3977 -1.5152 0.0000 C 0 0 10.3927 -3.0152 0.0000 C 0 0 11.6892 -3.7696 0.0000 C 0 0 12.9908 -3.0240 0.0000 C 0 0 12.9959 -1.5240 0.0000 C 0 0 11.6994 -0.7696 0.0000 C 0 0 7.7983 -3.0117 0.0000 C 0 0 8.8374 -3.6119 0.0000 O 0 0 6.7591 -3.6117 0.0000 O 0 5 2 1 1 1 2 3 1 0 2 9 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 9 10 1 1 9 12 1 0 10 11 1 0 12 13 2 0 12 14 1 0 15 14 1 1 15 16 1 0 15 23 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 23 24 2 0 23 25 1 0 M CHG 1 25 -1 M END > ZINC03814198 > 7 $$$$ SciTegic07110717162D 26 27 0 0 0 0 999 V2000 2.8552 -0.6517 0.0000 C 0 0 1.6852 -0.3846 0.0000 C 0 0 2 0 0 0 0.7500 -1.5574 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 1 0 0 0 0.0000 1.7286 0.0000 C 0 0 0.0000 2.9286 0.0000 O 0 0 1.3514 1.0778 0.0000 N 0 0 2.5244 2.0171 0.0000 C 0 0 2.2987 3.5009 0.0000 C 0 0 3.2353 4.2510 0.0000 O 0 0 -3.9246 1.4620 0.0000 C 0 0 1 0 0 0 -5.0999 2.3954 0.0000 C 0 0 -6.4962 1.8451 0.0000 C 0 0 -7.6715 2.7784 0.0000 C 0 0 -7.4480 4.2617 0.0000 C 0 0 -8.6208 5.1970 0.0000 C 0 0 -10.0171 4.6489 0.0000 C 0 0 -10.2406 3.1657 0.0000 C 0 0 -9.0679 2.2305 0.0000 C 0 0 -4.1427 -0.0229 0.0000 C 0 0 -3.2021 -0.7681 0.0000 O 0 0 1.1809 3.9373 0.0000 O 0 5 -2.5283 2.0123 0.0000 N 0 3 -5.2582 -0.4652 0.0000 O 0 5 2 1 1 6 2 9 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 25 1 6 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 24 1 0 13 14 1 6 13 22 1 0 13 25 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 22 23 2 0 22 26 1 0 M CHG 3 24 -1 25 1 26 -1 M END > ZINC03814180 > 8 $$$$ SciTegic07110717162D 27 29 0 0 0 0 999 V2000 9.5701 -7.2458 0.0000 C 0 0 10.1956 -5.8824 0.0000 C 0 0 9.3277 -4.6590 0.0000 C 0 0 7.8342 -4.7989 0.0000 C 0 0 7.2087 -6.1623 0.0000 C 0 0 8.0767 -7.3857 0.0000 C 0 0 6.9633 -3.5766 0.0000 C 0 0 5.4693 -3.7187 0.0000 C 0 0 1 0 0 0 4.5984 -2.4964 0.0000 C 0 0 5.0969 -1.4048 0.0000 O 0 0 3.1043 -2.6385 0.0000 N 0 0 2.2325 -1.4158 0.0000 C 0 0 1 0 0 0 2.9404 0.0000 0.0000 C 0 0 2.2507 1.3976 0.0000 C 0 0 0.7805 1.6880 0.0000 S 0 0 0.0000 0.7623 0.0000 C 0 0 1 0 0 0 -1.4884 1.5247 0.0000 C 0 0 -2.8315 0.7623 0.0000 C 0 0 -2.8315 -0.7623 0.0000 C 0 0 -1.4884 -1.5247 0.0000 C 0 0 2 0 0 0 0.0000 -0.7623 0.0000 N 0 0 0.7442 -1.6517 0.0000 C 0 0 0.3232 -2.7755 0.0000 O 0 0 -1.5519 -3.0239 0.0000 C 0 0 -0.5397 -3.6685 0.0000 O 0 0 4.9707 -4.8102 0.0000 S 0 0 -2.6160 -3.5785 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 8 26 1 6 9 10 2 0 9 11 1 0 12 11 1 6 12 22 1 0 12 13 1 0 13 14 1 0 14 15 1 0 16 15 1 6 16 21 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 24 1 6 21 22 1 0 22 23 2 0 24 25 2 0 24 27 1 0 M CHG 1 27 -1 M END > ZINC03809801 > 9 $$$$ SciTegic07110717162D 27 29 0 0 0 0 999 V2000 4.8740 -9.3571 0.0000 C 0 0 3.4436 -9.8090 0.0000 C 0 0 2.3372 -8.7962 0.0000 C 0 0 2.6609 -7.3315 0.0000 C 0 0 4.0913 -6.8797 0.0000 C 0 0 5.1978 -7.8925 0.0000 C 0 0 1.5559 -6.3159 0.0000 C 0 0 1.8820 -4.8510 0.0000 C 0 0 0.7770 -3.8354 0.0000 C 0 0 1 0 0 0 -0.6558 -4.2821 0.0000 C 0 0 -1.5385 -3.4691 0.0000 O 0 0 0.0000 -1.3541 0.0000 C 0 0 2 0 0 0 0.3672 0.0000 0.0000 C 0 0 -0.3213 1.2853 0.0000 C 0 0 -1.7902 1.5836 0.0000 C 0 0 -2.9378 0.5738 0.0000 C 0 0 1 0 0 0 -2.8689 -0.9181 0.0000 N 0 0 -1.6754 -1.7673 0.0000 C 0 0 -1.9001 -2.9460 0.0000 O 0 0 -4.2919 -1.4230 0.0000 C 0 0 1 0 0 0 -5.1640 -0.2295 0.0000 C 0 0 -4.3608 0.9869 0.0000 S 0 0 -4.7368 -2.8534 0.0000 C 0 0 -3.9233 -3.7356 0.0000 O 0 0 -0.9190 -5.4529 0.0000 O 0 5 1.1031 -2.3704 0.0000 N 0 3 -5.9074 -3.1173 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 9 8 1 1 9 10 1 0 9 26 1 0 10 11 2 0 10 25 1 0 12 18 1 0 12 13 1 0 12 26 1 1 13 14 1 0 14 15 1 0 16 15 1 1 16 22 1 0 16 17 1 0 17 18 1 0 17 20 1 0 18 19 2 0 20 21 1 0 20 23 1 6 21 22 1 0 23 24 2 0 23 27 1 0 M CHG 3 25 -1 26 1 27 -1 M END > ZINC03814187 > 10 $$$$ SciTegic07110717162D 28 30 0 0 0 0 999 V2000 5.7436 12.2276 0.0000 C 0 0 7.0742 11.5351 0.0000 C 0 0 7.1399 10.0366 0.0000 C 0 0 5.8749 9.2303 0.0000 C 0 0 4.5443 9.9229 0.0000 C 0 0 4.4786 11.4214 0.0000 C 0 0 5.9376 7.7308 0.0000 C 0 0 4.6708 6.9260 0.0000 C 0 0 4.7334 5.4265 0.0000 C 0 0 3.4666 4.6217 0.0000 C 0 0 3.5292 3.1222 0.0000 P 0 0 4.5928 2.5664 0.0000 O 0 0 2.2625 2.3174 0.0000 C 0 0 2.3251 0.8179 0.0000 C 0 0 3.3886 0.2621 0.0000 O 0 0 1.0601 0.0139 0.0000 N 0 0 -0.3208 0.5719 0.0000 C 0 0 -1.2832 -0.5719 0.0000 C 0 0 2 0 0 0 -0.4742 -1.8412 0.0000 C 0 0 0.9903 -1.4367 0.0000 C 0 0 1 0 0 0 2.1711 -2.3593 0.0000 C 0 0 3.2839 -1.9102 0.0000 O 0 0 -1.7435 0.8508 0.0000 S 0 0 -3.2500 0.8648 0.0000 C 0 0 -3.7242 -0.5719 0.0000 C 0 0 -2.5107 -1.4646 0.0000 S 0 0 4.5424 3.7652 0.0000 O 0 0 2.0040 -3.5476 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 11 27 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 20 1 0 16 17 1 0 18 17 1 1 18 26 1 0 18 19 1 0 18 23 1 0 19 20 1 0 20 21 1 6 21 22 2 0 21 28 1 0 23 24 1 0 24 25 1 0 25 26 1 0 M CHG 1 28 -1 M END > ZINC03814178 > 11 $$$$ SciTegic07110717162D 29 31 0 0 0 0 999 V2000 -2.8300 8.1079 0.0000 C 0 0 -3.8717 7.5123 0.0000 C 0 0 1 0 0 0 -5.1681 8.2686 0.0000 C 0 0 -6.2098 7.6730 0.0000 O 0 0 -5.1622 9.7694 0.0000 N 0 0 -3.9436 10.6220 0.0000 C 0 0 -4.3986 12.0513 0.0000 C 0 0 -5.8986 12.0602 0.0000 C 0 0 -6.3706 10.6364 0.0000 C 0 0 1 0 0 0 -7.7937 10.1680 0.0000 C 0 0 -8.0394 8.9935 0.0000 O 0 0 -2.5812 5.2552 0.0000 C 0 0 1 0 0 0 -2.5870 3.7544 0.0000 C 0 0 -1.2907 2.9981 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -1.2798 6.0029 0.0000 C 0 0 -1.2765 7.2028 0.0000 O 0 0 -8.6883 10.9678 0.0000 O 0 5 -3.8775 6.0115 0.0000 N 0 3 -0.2421 5.4003 0.0000 O 0 5 2 1 1 6 2 3 1 0 2 28 1 0 3 4 2 0 3 5 1 0 5 9 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 6 10 11 2 0 10 27 1 0 12 13 1 6 12 25 1 0 12 28 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 24 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 25 26 2 0 25 29 1 0 M CHG 3 27 -1 28 1 29 -1 M END > ZINC03814185 > 12 $$$$ SciTegic07110717162D 29 31 0 0 0 0 999 V2000 11.9472 -2.5900 0.0000 C 0 0 11.2002 -3.8908 0.0000 C 0 0 9.7002 -3.8943 0.0000 C 0 0 8.9471 -2.5970 0.0000 C 0 0 9.6942 -1.2962 0.0000 C 0 0 11.1942 -1.2927 0.0000 C 0 0 7.4463 -2.5974 0.0000 C 0 0 6.6947 -1.2984 0.0000 C 0 0 5.1939 -1.2988 0.0000 C 0 0 1 0 0 0 4.4415 -2.5974 0.0000 C 0 0 3.4415 -2.5966 0.0000 O 0 0 2.9404 0.0000 0.0000 C 0 0 1 0 0 0 2.2507 1.3976 0.0000 C 0 0 0.7805 1.6880 0.0000 C 0 0 0.0000 0.7623 0.0000 C 0 0 -1.4884 1.5247 0.0000 C 0 0 -2.8315 0.7623 0.0000 C 0 0 -2.8315 -0.7623 0.0000 C 0 0 -1.4884 -1.5247 0.0000 C 0 0 0.0000 -0.7623 0.0000 C 0 0 0.7442 -1.6517 0.0000 N 0 0 2.2325 -1.4158 0.0000 C 0 0 2.8234 -2.2225 0.0000 O 0 0 0.1203 -3.0186 0.0000 C 0 0 0.9888 -4.2426 0.0000 C 0 0 0.4891 -5.3336 0.0000 O 0 0 5.0404 -3.6374 0.0000 O 0 5 4.4423 0.0003 0.0000 N 0 3 2.1835 -4.1302 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 9 8 1 1 9 10 1 0 9 28 1 0 10 11 2 0 10 27 1 0 12 22 1 0 12 13 1 0 12 28 1 6 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 21 24 1 0 22 23 2 0 24 25 1 0 25 26 2 0 25 29 1 0 M CHG 3 27 -1 28 1 29 -1 M END > ZINC03814184 > 13 $$$$ SciTegic07110717162D 30 32 0 0 0 0 999 V2000 8.0206 -2.7618 0.0000 C 0 0 7.7740 -3.9362 0.0000 C 0 0 1 0 0 0 8.8921 -4.9373 0.0000 C 0 0 8.6456 -6.1117 0.0000 O 0 0 10.3185 -4.4705 0.0000 N 0 0 10.7553 -3.0488 0.0000 C 0 0 12.2552 -3.0425 0.0000 C 0 0 12.7248 -4.4671 0.0000 C 0 0 11.5150 -5.3539 0.0000 C 0 0 1 0 0 0 11.5067 -6.8520 0.0000 C 0 0 10.4645 -7.4469 0.0000 O 0 0 5.2295 -3.4020 0.0000 C 0 0 1 0 0 0 3.8056 -3.8679 0.0000 C 0 0 2 0 0 0 3.3372 -5.2929 0.0000 C 0 0 1.8372 -5.2877 0.0000 C 0 0 1.3786 -3.8595 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 5.5409 -1.9338 0.0000 C 0 0 6.6818 -1.5618 0.0000 O 0 0 12.5428 -7.4575 0.0000 O 0 5 6.3477 -4.4031 0.0000 N 0 3 4.6486 -1.1315 0.0000 O 0 5 2 1 1 1 2 3 1 0 2 29 1 0 3 4 2 0 3 5 1 0 5 9 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 1 10 11 2 0 10 28 1 0 12 13 1 0 12 26 1 0 12 29 1 1 13 17 1 0 13 14 1 6 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 26 27 2 0 26 30 1 0 M CHG 3 28 -1 29 1 30 -1 M END > ZINC03814182 > 14 $$$$ SciTegic07110717162D 31 33 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 -2.5987 -1.5004 0.0000 C 0 0 1 0 0 0 -2.7343 -2.9815 0.0000 C 0 0 -4.2010 -3.2957 0.0000 C 0 0 -4.9530 -1.9978 0.0000 C 0 0 2 0 0 0 -3.9511 -0.8815 0.0000 N 0 0 -4.2568 0.5852 0.0000 O 0 0 -5.6819 1.0556 0.0000 C 0 0 -5.9881 2.5249 0.0000 C 0 0 -7.4132 2.9953 0.0000 N 0 0 -7.7193 4.4646 0.0000 C 0 0 -6.8241 5.2637 0.0000 O 0 0 -9.1445 4.9351 0.0000 C 0 0 1 0 0 0 -9.4506 6.4043 0.0000 C 0 0 -10.8758 6.8748 0.0000 C 0 0 -11.9933 5.8740 0.0000 C 0 0 -13.4186 6.3413 0.0000 C 0 0 -13.7266 7.8094 0.0000 C 0 0 -12.6093 8.8101 0.0000 C 0 0 -11.1839 8.3428 0.0000 C 0 0 -14.8669 8.1832 0.0000 O 0 0 -10.0398 4.1360 0.0000 S 0 0 -6.4430 -1.8405 0.0000 C 0 0 -6.9313 -0.7443 0.0000 O 0 0 -7.1485 -2.8112 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 8 3 1 1 4 5 2 0 5 6 1 0 5 7 1 0 8 12 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 29 1 1 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 19 28 1 6 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 24 27 1 0 25 26 1 0 29 30 2 0 29 31 1 0 M CHG 1 31 -1 M END > ZINC03814190 > 15 $$$$ SciTegic07110717162D 31 33 0 0 0 0 999 V2000 6.7393 -0.1356 0.0000 C 0 0 7.1149 1.0041 0.0000 C 0 0 6.1161 2.1242 0.0000 O 0 0 6.5859 3.5496 0.0000 C 0 0 7.7608 3.7938 0.0000 O 0 0 5.5870 4.6698 0.0000 C 0 0 2 0 0 0 6.0553 6.0958 0.0000 C 0 0 7.5241 6.4042 0.0000 C 0 0 7.9923 7.8301 0.0000 C 0 0 6.9898 8.9460 0.0000 C 0 0 7.4549 10.3721 0.0000 C 0 0 8.9224 10.6823 0.0000 C 0 0 9.9249 9.5665 0.0000 C 0 0 9.4598 8.1405 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 1 0 0 0 4.4505 2.0415 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 1.3808 3.5211 0.0000 O 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 1 0 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1 0 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1 0 0 0 4.0872 0.0382 0.0000 C 0 0 4.6738 1.0851 0.0000 O 0 0 4.1182 4.3614 0.0000 N 0 3 4.7008 -0.9930 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 1 6 30 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 15 16 1 1 15 17 1 0 15 30 1 0 17 18 2 0 17 19 1 0 19 27 1 0 19 20 1 0 20 25 1 0 20 21 1 6 21 22 1 0 22 23 1 0 23 24 1 0 25 24 1 6 25 26 1 0 26 27 1 0 27 28 1 6 28 29 2 0 28 31 1 0 M CHG 2 30 1 31 -1 M END > ZINC03814193 > 16 $$$$ SciTegic07110717162D 31 33 0 0 0 0 999 V2000 -6.4999 -0.7389 0.0000 C 0 0 -5.2030 -1.4926 0.0000 C 0 0 -3.9019 -0.7463 0.0000 C 0 0 -3.8976 0.7537 0.0000 C 0 0 -5.1945 1.5074 0.0000 C 0 0 -6.4957 0.7611 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 1 0 0 0 -3.8925 3.7584 0.0000 C 0 0 -3.8883 4.9584 0.0000 O 0 0 -5.1951 3.0130 0.0000 C 0 0 -6.4925 3.7675 0.0000 C 0 0 -7.7951 3.0220 0.0000 C 0 0 -7.7992 1.8220 0.0000 O 0 0 -9.0924 3.7765 0.0000 N 0 0 -9.2226 5.2581 0.0000 C 0 0 -10.6881 5.5776 0.0000 C 0 0 -11.4449 4.2825 0.0000 C 0 0 -10.4470 3.1625 0.0000 C 0 0 1 0 0 0 -10.7519 1.6957 0.0000 C 0 0 -9.8569 0.8963 0.0000 O 0 0 -1.2925 3.7494 0.0000 N 0 0 0.0048 2.9949 0.0000 C 0 0 0.0007 1.7949 0.0000 O 0 0 1.3074 3.7403 0.0000 C 0 0 1.3101 5.2404 0.0000 C 0 0 2.6105 5.9881 0.0000 C 0 0 3.9082 5.2358 0.0000 C 0 0 3.9056 3.7358 0.0000 C 0 0 2.6052 2.9881 0.0000 C 0 0 -11.8916 1.3200 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 8 7 1 1 8 9 1 0 8 22 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 6 20 21 2 0 20 31 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 30 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 M CHG 1 31 -1 M END > ZINC03814173 > 17 $$$$ SciTegic07110717162D 32 34 0 0 0 0 999 V2000 6.4883 -4.9675 0.0000 C 0 0 6.4925 -3.7675 0.0000 C 0 0 2 0 0 0 5.1951 -3.0130 0.0000 C 0 0 3.8925 -3.7584 0.0000 C 0 0 3.8883 -4.9584 0.0000 O 0 0 2.5951 -3.0039 0.0000 C 0 0 2 0 0 0 2.5973 -1.5031 0.0000 C 0 0 3.8976 -0.7537 0.0000 C 0 0 5.1945 -1.5074 0.0000 C 0 0 6.4957 -0.7611 0.0000 C 0 0 6.5000 0.7389 0.0000 C 0 0 5.2031 1.4926 0.0000 C 0 0 3.9019 0.7463 0.0000 C 0 0 1.2925 -3.7494 0.0000 N 0 0 -0.0048 -2.9949 0.0000 C 0 0 -0.0007 -1.7949 0.0000 O 0 0 -1.3074 -3.7403 0.0000 C 0 0 -1.3101 -5.2404 0.0000 C 0 0 -2.6105 -5.9881 0.0000 C 0 0 -3.9082 -5.2358 0.0000 C 0 0 -3.9056 -3.7358 0.0000 C 0 0 -2.6052 -2.9881 0.0000 C 0 0 7.7951 -3.0220 0.0000 C 0 0 7.7992 -1.8220 0.0000 O 0 0 9.0924 -3.7765 0.0000 N 0 0 9.2226 -5.2581 0.0000 C 0 0 10.6881 -5.5776 0.0000 C 0 0 11.4449 -4.2825 0.0000 C 0 0 10.4470 -3.1626 0.0000 C 0 0 1 0 0 0 10.7519 -1.6957 0.0000 C 0 0 9.8569 -0.8963 0.0000 O 0 0 11.8916 -1.3200 0.0000 O 0 5 2 1 1 6 2 3 1 0 2 23 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 1 6 14 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 23 24 2 0 23 25 1 0 25 29 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 6 30 31 2 0 30 32 1 0 M CHG 1 32 -1 M END > ZINC03814181 > 17 $$$$ SciTegic07110717162D 32 34 0 0 0 0 999 V2000 10.8594 12.4167 0.0000 C 0 0 11.8619 11.3009 0.0000 C 0 0 11.3969 9.8748 0.0000 C 0 0 9.9293 9.5644 0.0000 C 0 0 8.9268 10.6803 0.0000 C 0 0 9.3919 12.1064 0.0000 C 0 0 9.4611 8.1385 0.0000 C 0 0 7.9923 7.8301 0.0000 C 0 0 2 0 0 0 7.5241 6.4042 0.0000 C 0 0 8.3245 5.5101 0.0000 O 0 0 6.0553 6.0958 0.0000 N 0 0 5.5870 4.6698 0.0000 C 0 0 2 0 0 0 4.1182 4.3614 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 1.3808 3.5211 0.0000 O 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 1 0 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1 0 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1 0 0 0 4.0872 0.0382 0.0000 C 0 0 4.6738 1.0851 0.0000 O 0 0 6.5859 3.5496 0.0000 C 0 0 6.2102 2.4100 0.0000 O 0 0 4.7008 -0.9930 0.0000 O 0 5 7.7608 3.7938 0.0000 O 0 5 7.1918 8.7241 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 8 32 1 6 9 10 2 0 9 11 1 0 12 11 1 1 12 13 1 0 12 28 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 25 1 0 17 18 1 0 18 23 1 0 18 19 1 6 19 20 1 0 20 21 1 0 21 22 1 0 23 22 1 6 23 24 1 0 24 25 1 0 25 26 1 6 26 27 2 0 26 30 1 0 28 29 2 0 28 31 1 0 M CHG 3 30 -1 31 -1 32 1 M END > ZINC03814166 > 18 $$$$