SciTegic07110717432D 14 14 0 0 0 0 999 V2000 3.8933 -3.7570 0.0000 C 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 2.5972 1.5031 0.0000 N 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5956 2.7031 0.0000 O 0 0 -3.6375 0.9049 0.0000 O 0 5 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 12 1 0 9 10 1 0 10 11 1 0 12 13 2 0 12 14 1 0 M CHG 1 14 -1 M END > ZINC03581099 > 1 $$$$ SciTegic07110717432D 15 15 0 0 0 0 999 V2000 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5956 2.7031 0.0000 O 0 0 -0.0031 -3.0008 0.0000 N 0 0 -3.6375 0.9049 0.0000 O 0 5 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 6 14 1 0 7 8 1 0 8 9 2 0 8 12 1 0 9 10 1 0 10 11 1 0 12 13 2 0 12 15 1 0 M CHG 1 15 -1 M END > ZINC03581100 > 1 $$$$ SciTegic07110717432D 15 15 0 0 0 0 999 V2000 5.1593 0.1499 0.0000 C 0 0 3.8979 -0.6634 0.0000 C 0 0 3.9473 -1.6622 0.0000 O 0 0 2.5625 0.0216 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.5625 -0.0215 0.0000 O 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5956 2.7031 0.0000 O 0 0 -3.6375 0.9049 0.0000 O 0 5 1.2999 -2.2084 0.0000 N 0 3 1 2 1 0 2 3 2 0 2 4 1 0 5 4 1 6 5 10 1 0 5 6 1 0 6 7 1 0 6 15 1 1 7 8 1 0 8 9 2 0 8 12 1 0 9 10 1 0 10 11 1 1 12 13 2 0 12 14 1 0 M CHG 2 14 -1 15 1 M END > ZINC03833958 > 1 $$$$ SciTegic07110717432D 16 16 0 0 0 0 999 V2000 1.2830 -6.2026 0.0000 C 0 0 1.8954 -4.8324 0.0000 C 0 0 2 0 0 0 3.3882 -4.6782 0.0000 C 0 0 2.7942 -6.0705 0.0000 C 0 0 1.0157 -3.6164 0.0000 O 0 0 1.6281 -2.2462 0.0000 C 0 0 2.8218 -2.1229 0.0000 O 0 0 0.7500 -1.0323 0.0000 N 0 0 -0.7500 -1.0323 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 2 0 0 0 0.0000 1.2760 0.0000 C 0 0 2 0 0 0 1.2135 0.3943 0.0000 C 0 0 -2.3029 -0.6186 0.0000 C 0 0 -2.0538 -1.7925 0.0000 O 0 0 -1.3000 1.9990 0.0000 N 0 3 -3.4441 -0.2477 0.0000 O 0 5 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 1 5 6 1 0 6 7 2 0 6 8 1 0 8 12 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 13 1 1 11 12 1 0 11 15 1 1 13 14 2 0 13 16 1 0 M CHG 2 15 1 16 -1 M END > ZINC03581810 > 1 $$$$ SciTegic07110717432D 16 16 0 0 0 0 999 V2000 3.8627 2.2731 0.0000 C 0 0 2.5631 1.5224 0.0000 C 0 0 1.6972 2.0225 0.0000 O 0 0 2.5625 0.0216 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.5625 -0.0215 0.0000 O 0 0 3.8979 0.6634 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.6381 0.9059 0.0000 O 0 0 -2.5944 2.7031 0.0000 O 0 5 1.2999 -2.2084 0.0000 N 0 3 1 2 1 0 2 3 2 0 2 4 1 0 5 4 1 6 5 10 1 0 5 6 1 0 6 7 1 0 6 16 1 1 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 1 1 11 12 1 0 13 14 2 0 13 15 1 0 M CHG 2 15 -1 16 1 M END > ZINC04134481 > 1 $$$$ SciTegic07110717432D 16 16 0 0 0 0 999 V2000 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 3 2.5955 2.7031 0.0000 O 0 0 3.6375 0.9049 0.0000 O 0 5 -2.5973 1.5031 0.0000 C 0 0 -2.5956 2.7031 0.0000 O 0 0 -3.6375 0.9049 0.0000 O 0 5 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 14 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 14 15 2 0 14 16 1 0 M CHG 3 11 1 13 -1 16 -1 M END > ZINC03833955 > 1 $$$$ SciTegic07110717432D 17 17 0 0 0 0 999 V2000 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5956 2.7031 0.0000 O 0 0 -0.0031 -3.0008 0.0000 N 0 3 -1.0432 -3.5994 0.0000 O 0 0 1.0351 -3.6026 0.0000 O 0 5 -3.6375 0.9049 0.0000 O 0 5 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 6 14 1 0 7 8 1 0 8 9 2 0 8 12 1 0 9 10 1 0 10 11 1 0 12 13 2 0 12 17 1 0 14 15 2 0 14 16 1 0 M CHG 3 14 1 16 -1 17 -1 M END > ZINC03833968 > 1 $$$$ SciTegic07110717432D 17 17 0 0 0 0 999 V2000 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 2.5951 3.0039 0.0000 C 0 0 1.2947 3.7533 0.0000 N 0 0 3.8956 3.7531 0.0000 N 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5956 2.7031 0.0000 O 0 0 -3.6375 0.9049 0.0000 O 0 5 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 15 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 15 16 2 0 15 17 1 0 M CHG 1 17 -1 M END > ZINC03833957 > 1 $$$$ SciTegic07110717432D 17 17 0 0 0 0 999 V2000 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 2.5951 3.0039 0.0000 C 0 0 1.5548 3.6021 0.0000 O 0 0 3.8933 3.7570 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5956 2.7031 0.0000 O 0 0 -3.6375 0.9049 0.0000 O 0 5 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 15 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 15 16 2 0 15 17 1 0 M CHG 1 17 -1 M END > ZINC03833960 > 1 $$$$ SciTegic07110717432D 17 17 0 0 0 0 999 V2000 5.1593 0.1499 0.0000 C 0 0 3.8979 -0.6634 0.0000 C 0 0 2.5625 0.0216 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.5625 -0.0215 0.0000 N 0 0 2.5632 -1.5224 0.0000 C 0 0 1.6972 -2.0225 0.0000 O 0 0 3.8628 -2.2731 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5955 -2.7031 0.0000 O 0 0 -1.2999 2.2084 0.0000 N 0 3 -3.6375 -0.9049 0.0000 O 0 5 1 2 1 0 2 3 1 0 4 3 1 6 4 9 1 0 4 5 1 0 5 6 2 0 6 7 1 0 6 14 1 0 7 8 1 0 8 9 1 0 8 16 1 6 9 10 1 1 10 11 1 0 11 12 2 0 11 13 1 0 14 15 2 0 14 17 1 0 M CHG 2 16 1 17 -1 M END > ZINC04134482 > 1 $$$$ SciTegic07110717432D 18 18 0 0 0 0 999 V2000 5.2292 -0.5715 0.0000 C 0 0 3.7362 -0.7244 0.0000 C 0 0 3.1212 -2.0934 0.0000 N 0 0 3.9996 -3.3102 0.0000 C 0 0 1 0 0 0 5.4929 -3.1595 0.0000 C 0 0 3.3828 -4.6785 0.0000 C 0 0 1.6281 -2.2462 0.0000 C 0 0 1.1374 -3.3413 0.0000 O 0 0 0.7500 -1.0323 0.0000 N 0 0 -0.7500 -1.0323 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 1 0 0 0 0.0000 1.2760 0.0000 C 0 0 1 0 0 0 1.2135 0.3943 0.0000 C 0 0 -1.3000 1.9990 0.0000 C 0 0 -2.3394 1.3994 0.0000 O 0 0 1.3001 1.9994 0.0000 O 0 0 -1.2999 3.1990 0.0000 O 0 5 -2.3029 -0.6186 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 4 1 0 3 7 1 0 4 5 1 1 4 6 1 0 7 8 2 0 7 9 1 0 9 13 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 18 1 6 12 13 1 0 12 14 1 0 12 16 1 1 14 15 2 0 14 17 1 0 M CHG 2 17 -1 18 1 M END > ZINC03833959 > 1 $$$$ SciTegic07110717432D 18 18 0 0 0 0 999 V2000 6.4947 -0.5351 0.0000 C 0 0 5.1593 0.1499 0.0000 C 0 0 3.8979 -0.6634 0.0000 C 0 0 2.5625 0.0216 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.5625 -0.0215 0.0000 N 0 0 2.5632 -1.5224 0.0000 C 0 0 1.6972 -2.0225 0.0000 O 0 0 3.8628 -2.2731 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5955 -2.7031 0.0000 O 0 0 -1.2999 2.2084 0.0000 N 0 3 -3.6375 -0.9049 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 0 5 4 1 6 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 15 1 0 8 9 1 0 9 10 1 0 9 17 1 6 10 11 1 1 11 12 1 0 12 13 2 0 12 14 1 0 15 16 2 0 15 18 1 0 M CHG 2 17 1 18 -1 M END > ZINC04134483 > 1 $$$$ SciTegic07110717432D 18 18 0 0 0 0 999 V2000 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 2.5951 3.0039 0.0000 C 0 0 1.5548 3.6021 0.0000 O 0 0 3.8933 3.7570 0.0000 C 0 0 3.8912 5.2578 0.0000 O 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5956 2.7031 0.0000 O 0 0 -3.6375 0.9049 0.0000 O 0 5 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 16 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 16 17 2 0 16 18 1 0 M CHG 1 18 -1 M END > ZINC03581157 > 1 $$$$ SciTegic07110717432D 18 18 0 0 0 0 999 V2000 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 2.5951 3.0039 0.0000 C 0 0 1.5548 3.6021 0.0000 O 0 0 3.8933 3.7570 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5956 2.7031 0.0000 O 0 0 3.8912 5.2578 0.0000 N 0 3 -3.6375 0.9049 0.0000 O 0 5 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 15 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 17 1 0 15 16 2 0 15 18 1 0 M CHG 2 17 1 18 -1 M END > ZINC03581156 > 1 $$$$ SciTegic07110717432D 18 18 0 0 0 0 999 V2000 5.2738 -0.0486 0.0000 C 0 0 3.9382 -0.7332 0.0000 C 0 0 3.0984 -0.1904 0.0000 O 0 0 3.8624 -2.2322 0.0000 N 0 0 2.5619 -2.9395 0.0000 C 0 0 2 0 0 0 1.2622 -3.6884 0.0000 C 0 0 2 0 0 0 1.2610 -5.1884 0.0000 C 0 0 2.5594 -5.9395 0.0000 C 0 0 3.8590 -5.1906 0.0000 C 0 0 3.8603 -3.6906 0.0000 C 0 0 1 0 0 0 3.8251 -2.2106 0.0000 O 0 0 2.5612 -7.4403 0.0000 C 0 0 1.5231 -8.0422 0.0000 O 0 0 -0.6715 -1.9498 0.0000 C 0 3 -1.6937 -3.0487 0.0000 N 0 0 -1.1095 -0.5144 0.0000 N 0 0 3.6013 -8.0387 0.0000 O 0 5 0.7915 -2.2848 0.0000 N 0 0 1 2 1 0 2 3 2 0 2 4 1 0 5 4 1 1 5 10 1 0 5 6 1 0 6 7 1 0 6 18 1 6 7 8 1 0 8 9 2 0 8 12 1 0 9 10 1 0 10 11 1 6 12 13 2 0 12 17 1 0 14 15 1 0 14 16 1 0 14 18 2 0 M CHG 2 14 1 17 -1 M END > ZINC04134492 > 1 $$$$ SciTegic07110717432D 19 19 0 0 0 0 999 V2000 7.7561 0.2782 0.0000 C 0 0 6.4947 -0.5351 0.0000 C 0 0 5.1593 0.1499 0.0000 C 0 0 3.8979 -0.6634 0.0000 C 0 0 2.5625 0.0216 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.5625 -0.0215 0.0000 N 0 0 2.5632 -1.5224 0.0000 C 0 0 1.6972 -2.0225 0.0000 O 0 0 3.8628 -2.2731 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5955 -2.7031 0.0000 O 0 0 -1.2999 2.2084 0.0000 N 0 3 -3.6375 -0.9049 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 6 5 1 6 6 11 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 16 1 0 9 10 1 0 10 11 1 0 10 18 1 6 11 12 1 1 12 13 1 0 13 14 2 0 13 15 1 0 16 17 2 0 16 19 1 0 M CHG 2 18 1 19 -1 M END > ZINC04134484 > 1 $$$$ SciTegic07110717432D 19 19 0 0 0 0 999 V2000 6.4947 -0.5351 0.0000 C 0 0 5.1593 0.1499 0.0000 C 0 0 1 0 0 0 5.0853 1.6488 0.0000 C 0 0 3.8979 -0.6634 0.0000 C 0 0 2.5625 0.0216 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.5625 -0.0215 0.0000 N 0 0 2.5632 -1.5224 0.0000 C 0 0 1.6972 -2.0225 0.0000 O 0 0 3.8628 -2.2731 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5955 -2.7031 0.0000 O 0 0 -1.2999 2.2084 0.0000 N 0 3 -3.6375 -0.9049 0.0000 O 0 5 2 1 1 6 2 3 1 0 2 4 1 0 4 5 1 0 6 5 1 6 6 11 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 16 1 0 9 10 1 0 10 11 1 0 10 18 1 6 11 12 1 1 12 13 1 0 13 14 2 0 13 15 1 0 16 17 2 0 16 19 1 0 M CHG 2 18 1 19 -1 M END > ZINC04134485 > 1 $$$$ SciTegic07110717432D 19 19 0 0 0 0 999 V2000 5.1631 1.5238 0.0000 C 0 0 3.8627 2.2731 0.0000 C 0 0 2.5631 1.5224 0.0000 C 0 0 2 0 0 0 2.5611 3.0524 0.0000 C 0 0 2.5625 0.0216 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.5625 -0.0215 0.0000 N 0 0 3.8979 0.6634 0.0000 C 0 0 3.9473 1.6622 0.0000 O 0 0 5.1593 -0.1498 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5955 -2.7031 0.0000 O 0 0 -1.2999 2.2084 0.0000 N 0 3 -3.6375 -0.9049 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 1 3 5 1 0 6 5 1 6 6 11 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 16 1 0 9 10 1 0 10 11 1 0 10 18 1 6 11 12 1 1 12 13 1 0 13 14 2 0 13 15 1 0 16 17 2 0 16 19 1 0 M CHG 2 18 1 19 -1 M END > ZINC04134486 > 1 $$$$ SciTegic07110717432D 20 20 0 0 0 0 999 V2000 5.6549 -2.6497 0.0000 C 0 0 5.0722 -1.2666 0.0000 C 0 0 3.5831 -1.0788 0.0000 C 0 0 1 0 0 0 3.6572 -2.5777 0.0000 C 0 0 2.3966 -3.3922 0.0000 C 0 0 2.5625 0.0216 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.7629 0.9711 0.0000 N 0 0 3.3456 2.3542 0.0000 C 0 0 2.7414 3.1510 0.0000 O 0 0 4.8346 2.5421 0.0000 C 0 0 -2.7765 -1.0137 0.0000 C 0 0 -3.1853 -2.1419 0.0000 O 0 0 -1.2999 2.2084 0.0000 N 0 3 -3.5495 -0.0958 0.0000 O 0 5 1 2 1 0 3 2 1 1 3 4 1 0 3 6 1 0 4 5 1 0 7 6 1 6 7 12 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 17 1 0 10 11 1 0 11 12 1 0 11 19 1 6 12 13 1 1 13 14 1 0 14 15 2 0 14 16 1 0 17 18 2 0 17 20 1 0 M CHG 2 19 1 20 -1 M END > ZINC03929509 > 1 $$$$ SciTegic07110717432D 20 20 0 0 0 0 999 V2000 9.0916 -0.4068 0.0000 C 0 0 7.7561 0.2782 0.0000 C 0 0 6.4947 -0.5351 0.0000 C 0 0 5.1593 0.1499 0.0000 C 0 0 3.8979 -0.6634 0.0000 C 0 0 2.5625 0.0216 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.5625 -0.0215 0.0000 N 0 0 2.5632 -1.5224 0.0000 C 0 0 1.6972 -2.0225 0.0000 O 0 0 3.8628 -2.2731 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5955 -2.7031 0.0000 O 0 0 -1.2999 2.2084 0.0000 N 0 3 -3.6375 -0.9049 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 7 6 1 6 7 12 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 17 1 0 10 11 1 0 11 12 1 0 11 19 1 6 12 13 1 1 13 14 1 0 14 15 2 0 14 16 1 0 17 18 2 0 17 20 1 0 M CHG 2 19 1 20 -1 M END > ZINC04134487 > 1 $$$$ SciTegic07110717432D 20 20 0 0 0 0 999 V2000 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 2.5951 3.0039 0.0000 C 0 0 1.5548 3.6021 0.0000 O 0 0 3.8933 3.7570 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5956 2.7031 0.0000 O 0 0 -0.0031 -3.0008 0.0000 N 0 3 -1.0432 -3.5994 0.0000 O 0 0 1.0351 -3.6026 0.0000 O 0 5 -3.6375 0.9049 0.0000 O 0 5 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 6 17 1 0 7 8 1 0 8 9 2 0 8 15 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 15 16 2 0 15 20 1 0 17 18 2 0 17 19 1 0 M CHG 3 17 1 19 -1 20 -1 M END > ZINC03833961 > 1 $$$$ SciTegic07110717432D 20 20 0 0 0 0 999 V2000 4.6188 1.4159 0.0000 C 0 0 3.7116 0.2203 0.0000 C 0 0 4.0995 -0.7014 0.0000 O 0 0 2.2224 0.4072 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 2 0 0 0 2.5625 -0.0215 0.0000 C 0 0 2 0 0 0 3.5831 1.0788 0.0000 C 0 0 2 0 0 0 3.1414 2.5132 0.0000 C 0 0 4.1620 3.6136 0.0000 O 0 0 5.0462 0.7447 0.0000 O 0 0 2.4885 -1.5205 0.0000 O 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5956 2.7031 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 -3.6375 0.9049 0.0000 O 0 5 1 2 1 0 2 3 2 0 2 4 1 0 5 4 1 1 5 10 1 0 5 6 1 0 6 7 1 0 6 19 1 6 7 8 2 0 8 9 1 0 8 17 1 0 10 9 1 6 10 11 1 0 11 12 1 0 11 16 1 6 12 13 1 0 12 15 1 6 13 14 1 0 17 18 2 0 17 20 1 0 M CHG 1 20 -1 M END > ZINC04134501 > 1 $$$$ SciTegic07110717432D 21 21 0 0 0 0 999 V2000 5.1894 -6.0109 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 1 0 0 0 5.1943 -3.0089 0.0000 C 0 0 6.4932 -3.7607 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 2.5951 3.0039 0.0000 C 0 0 1.5548 3.6021 0.0000 O 0 0 3.8933 3.7570 0.0000 C 0 0 -2.6003 -1.4978 0.0000 C 0 0 -3.6387 -0.8963 0.0000 O 0 0 -2.6024 -2.6978 0.0000 O 0 5 1 2 1 0 3 2 1 6 3 4 1 0 3 6 1 0 4 5 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 19 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 19 20 2 0 19 21 1 0 M CHG 1 21 -1 M END > ZINC02047891 > 1 $$$$ SciTegic07110717432D 21 21 0 0 0 0 999 V2000 4.6188 1.4159 0.0000 C 0 0 3.7116 0.2203 0.0000 C 0 0 4.0995 -0.7014 0.0000 O 0 0 2.2224 0.4072 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 2 0 0 0 2.5625 -0.0215 0.0000 C 0 0 2 0 0 0 3.5831 1.0788 0.0000 C 0 0 2 0 0 0 3.1414 2.5132 0.0000 C 0 0 4.1620 3.6136 0.0000 O 0 0 5.0462 0.7447 0.0000 O 0 0 2.4885 -1.5205 0.0000 O 0 0 -1.2626 2.2300 0.0000 C 0 0 -0.2236 2.8304 0.0000 O 0 0 -2.5629 -0.0216 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 -2.3019 2.8299 0.0000 O 0 5 1 2 1 0 2 3 2 0 2 4 1 0 5 4 1 1 5 10 1 0 5 6 1 0 6 7 1 0 6 20 1 6 7 8 1 0 8 9 1 0 8 17 1 0 8 19 1 6 10 9 1 6 10 11 1 0 11 12 1 0 11 16 1 6 12 13 1 0 12 15 1 6 13 14 1 0 17 18 2 0 17 21 1 0 M CHG 1 21 -1 M END > ZINC01703370 > 1 $$$$ SciTegic07110717432D 21 21 0 0 0 0 999 V2000 5.6549 -2.6497 0.0000 C 0 0 5.0722 -1.2666 0.0000 C 0 0 3.5831 -1.0788 0.0000 C 0 0 1 0 0 0 3.6572 -2.5777 0.0000 C 0 0 2.3966 -3.3922 0.0000 C 0 0 2.5625 0.0216 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.7629 0.9711 0.0000 N 0 0 3.3456 2.3542 0.0000 C 0 0 2.7414 3.1510 0.0000 O 0 0 4.8346 2.5421 0.0000 C 0 0 -2.5625 -0.0216 0.0000 C 0 0 -1.8094 -2.1614 0.0000 C 0 0 -1.0368 -3.0795 0.0000 O 0 0 -1.2999 2.2084 0.0000 N 0 3 -2.7939 -2.3368 0.0000 O 0 5 1 2 1 0 3 2 1 1 3 4 1 0 3 6 1 0 4 5 1 0 7 6 1 6 7 12 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 18 1 0 10 11 1 0 10 17 1 1 11 12 1 0 11 20 1 6 12 13 1 1 13 14 1 0 14 15 2 0 14 16 1 0 18 19 2 0 18 21 1 0 M CHG 2 20 1 21 -1 M END > ZINC03833967 > 1 $$$$ SciTegic07110717432D 21 21 0 0 0 0 999 V2000 4.6188 1.4159 0.0000 C 0 0 3.7116 0.2203 0.0000 C 0 0 4.0995 -0.7014 0.0000 O 0 0 2.2224 0.4072 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 2 0 0 0 2.5625 -0.0215 0.0000 C 0 0 2 0 0 0 3.5831 1.0788 0.0000 C 0 0 2 0 0 0 3.1414 2.5132 0.0000 C 0 0 4.1620 3.6136 0.0000 O 0 0 5.0462 0.7447 0.0000 O 0 0 2.4885 -1.5205 0.0000 O 0 0 -1.2626 2.2300 0.0000 P 0 0 -0.2236 2.8304 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 -1.2629 3.4300 0.0000 O 0 0 -2.3019 2.8299 0.0000 O 0 0 1 2 1 0 2 3 2 0 2 4 1 0 5 4 1 1 5 10 1 0 5 6 1 0 6 7 1 0 6 19 1 6 7 8 1 0 8 9 1 0 8 17 1 1 10 9 1 6 10 11 1 0 11 12 1 0 11 16 1 6 12 13 1 0 12 15 1 6 13 14 1 0 17 18 2 0 17 20 1 0 17 21 1 0 M END > ZINC04134499 > 1 $$$$ SciTegic07110717432D 21 21 0 0 0 0 999 V2000 3.9132 -4.8767 0.0000 C 0 0 2.6523 -4.0627 0.0000 C 0 0 2.7259 -2.5637 0.0000 C 0 0 2 0 0 0 4.0610 -1.8783 0.0000 C 0 0 4.1360 -0.3794 0.0000 C 0 0 1.2626 -2.2300 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 F 0 0 0.5162 2.9093 0.0000 C 0 0 1.6983 3.1160 0.0000 O 0 0 0.5404 -2.8783 0.0000 N 0 0 -0.3660 -4.0745 0.0000 C 0 0 -1.3582 -3.9496 0.0000 O 0 0 0.2159 -5.4579 0.0000 C 0 0 -0.2535 3.8299 0.0000 O 0 5 -1.2626 -2.2300 0.0000 N 0 3 1 2 1 0 3 2 1 1 3 4 1 0 3 6 1 0 4 5 1 0 7 6 1 1 7 12 1 0 7 8 1 0 8 9 1 0 8 16 1 6 9 10 1 0 9 21 1 1 10 11 1 0 11 12 2 0 11 14 1 0 12 13 1 0 14 15 2 0 14 20 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M CHG 2 20 -1 21 1 M END > ZINC04134498 > 1 $$$$ SciTegic07110717432D 21 21 0 0 0 0 999 V2000 3.9132 -4.8767 0.0000 C 0 0 2.6523 -4.0627 0.0000 C 0 0 2.7259 -2.5637 0.0000 C 0 0 1 0 0 0 4.0610 -1.8783 0.0000 C 0 0 4.1360 -0.3794 0.0000 C 0 0 1.2626 -2.2300 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5988 1.5004 0.0000 C 0 0 0.5162 2.9093 0.0000 C 0 0 1.6983 3.1160 0.0000 O 0 0 0.5404 -2.8783 0.0000 N 0 0 -0.3660 -4.0745 0.0000 C 0 0 -1.3582 -3.9496 0.0000 O 0 0 0.2159 -5.4579 0.0000 C 0 0 -0.2535 3.8299 0.0000 O 0 5 -1.2626 -2.2300 0.0000 N 0 3 1 2 1 0 3 2 1 6 3 4 1 0 3 6 1 0 4 5 1 0 7 6 1 1 7 12 1 0 7 8 1 0 8 9 1 0 8 16 1 6 9 10 1 0 9 21 1 1 10 11 1 0 11 12 2 0 11 14 1 0 12 13 1 0 14 15 2 0 14 20 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M CHG 2 20 -1 21 1 M END > ZINC04134497 > 1 $$$$ SciTegic07110717432D 21 21 0 0 0 0 999 V2000 0.2283 10.3293 0.0000 C 0 0 0.1525 8.8304 0.0000 C 0 0 -1.1831 8.1457 0.0000 C 0 0 -1.2589 6.6468 0.0000 O 0 0 -2.5594 5.9395 0.0000 C 0 0 2 0 0 0 -3.8591 5.1906 0.0000 C 0 0 -3.8603 3.6906 0.0000 C 0 0 -2.5619 2.9395 0.0000 C 0 0 -1.2622 3.6884 0.0000 C 0 0 1 0 0 0 -1.2610 5.1884 0.0000 C 0 0 1 0 0 0 -1.2962 6.6684 0.0000 N 0 0 -2.5950 7.4204 0.0000 C 0 0 -3.4615 6.9213 0.0000 O 0 0 -2.5940 8.9213 0.0000 C 0 0 0.6715 1.9499 0.0000 C 0 3 1.6937 3.0487 0.0000 N 0 0 1.1095 0.5144 0.0000 N 0 0 -5.1622 2.9439 0.0000 C 0 0 -6.2001 3.5463 0.0000 O 0 0 -0.7915 2.2848 0.0000 N 0 0 -5.1648 1.9439 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 18 1 0 8 9 1 0 9 10 1 0 9 20 1 1 10 11 1 6 11 12 1 0 12 13 2 0 12 14 1 0 15 16 1 0 15 17 1 0 15 20 2 0 18 19 2 0 18 21 1 0 M CHG 2 15 1 21 -1 M END > ZINC04134493 > 1 $$$$ SciTegic07110717432D 21 21 0 0 0 0 999 V2000 5.1631 1.5213 0.0000 C 0 0 3.8634 2.2718 0.0000 C 0 0 2.5631 1.5224 0.0000 C 0 0 1 0 0 0 1.5997 2.6731 0.0000 C 0 0 2.1136 4.0832 0.0000 C 0 0 1.1501 5.2339 0.0000 C 0 0 2.5625 0.0216 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.5625 -0.0215 0.0000 N 0 0 3.8979 0.6634 0.0000 C 0 0 3.9473 1.6622 0.0000 O 0 0 5.1593 -0.1498 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5955 -2.7031 0.0000 O 0 0 -1.2999 2.2084 0.0000 N 0 3 -3.6375 -0.9049 0.0000 O 0 5 1 2 1 0 3 2 1 6 3 4 1 0 3 7 1 0 4 5 1 0 5 6 2 0 8 7 1 6 8 13 1 0 8 9 1 0 9 10 2 0 10 11 1 0 10 18 1 0 11 12 1 0 12 13 1 0 12 20 1 6 13 14 1 1 14 15 1 0 15 16 2 0 15 17 1 0 18 19 2 0 18 21 1 0 M CHG 2 20 1 21 -1 M END > ZINC04134490 > 1 $$$$ SciTegic07110717432D 21 21 0 0 0 0 999 V2000 5.1631 1.5213 0.0000 C 0 0 3.8634 2.2718 0.0000 C 0 0 2.5631 1.5224 0.0000 C 0 0 2 0 0 0 1.5997 2.6731 0.0000 C 0 0 2.1136 4.0832 0.0000 C 0 0 1.1501 5.2339 0.0000 C 0 0 2.5625 0.0216 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.5625 -0.0215 0.0000 N 0 0 3.8979 0.6634 0.0000 C 0 0 3.9473 1.6622 0.0000 O 0 0 5.1593 -0.1498 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5955 -2.7031 0.0000 O 0 0 -1.2999 2.2084 0.0000 N 0 3 -3.6375 -0.9049 0.0000 O 0 5 1 2 1 0 3 2 1 1 3 4 1 0 3 7 1 0 4 5 1 0 5 6 2 0 8 7 1 6 8 13 1 0 8 9 1 0 9 10 2 0 10 11 1 0 10 18 1 0 11 12 1 0 12 13 1 0 12 20 1 6 13 14 1 1 14 15 1 0 15 16 2 0 15 17 1 0 18 19 2 0 18 21 1 0 M CHG 2 20 1 21 -1 M END > ZINC04134489 > 1 $$$$ SciTegic07110717432D 21 21 0 0 0 0 999 V2000 10.3530 0.4064 0.0000 C 0 0 9.0916 -0.4068 0.0000 C 0 0 7.7561 0.2782 0.0000 C 0 0 6.4947 -0.5351 0.0000 C 0 0 5.1593 0.1499 0.0000 C 0 0 3.8979 -0.6634 0.0000 C 0 0 2.5625 0.0216 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.5625 -0.0215 0.0000 N 0 0 2.5632 -1.5224 0.0000 C 0 0 1.6972 -2.0225 0.0000 O 0 0 3.8628 -2.2731 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5955 -2.7031 0.0000 O 0 0 -1.2999 2.2084 0.0000 N 0 3 -3.6375 -0.9049 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 8 7 1 6 8 13 1 0 8 9 1 0 9 10 2 0 10 11 1 0 10 18 1 0 11 12 1 0 12 13 1 0 12 20 1 6 13 14 1 1 14 15 1 0 15 16 2 0 15 17 1 0 18 19 2 0 18 21 1 0 M CHG 2 20 1 21 -1 M END > ZINC04134488 > 1 $$$$ SciTegic07110717432D 22 22 0 0 0 0 999 V2000 11.6884 -0.2785 0.0000 C 0 0 10.3530 0.4064 0.0000 C 0 0 9.0916 -0.4068 0.0000 C 0 0 7.7561 0.2782 0.0000 C 0 0 6.4947 -0.5351 0.0000 C 0 0 5.1593 0.1499 0.0000 C 0 0 3.8979 -0.6634 0.0000 C 0 0 2.5625 0.0216 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.5625 -0.0215 0.0000 N 0 0 2.5632 -1.5224 0.0000 C 0 0 1.6972 -2.0225 0.0000 O 0 0 3.8628 -2.2731 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5955 -2.7031 0.0000 O 0 0 -1.2999 2.2084 0.0000 N 0 3 -3.6375 -0.9049 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 9 8 1 6 9 14 1 0 9 10 1 0 10 11 2 0 11 12 1 0 11 19 1 0 12 13 1 0 13 14 1 0 13 21 1 6 14 15 1 1 15 16 1 0 16 17 2 0 16 18 1 0 19 20 2 0 19 22 1 0 M CHG 2 21 1 22 -1 M END > ZINC04646290 > 1 $$$$ SciTegic07110717432D 22 22 0 0 0 0 999 V2000 1.5638 11.0140 0.0000 C 0 0 0.2283 10.3293 0.0000 C 0 0 0.1525 8.8304 0.0000 C 0 0 -1.1831 8.1457 0.0000 C 0 0 -1.2589 6.6468 0.0000 O 0 0 -2.5594 5.9395 0.0000 C 0 0 2 0 0 0 -3.8591 5.1906 0.0000 C 0 0 -3.8603 3.6906 0.0000 C 0 0 -2.5619 2.9395 0.0000 C 0 0 -1.2622 3.6884 0.0000 C 0 0 1 0 0 0 -1.2610 5.1884 0.0000 C 0 0 1 0 0 0 -1.2962 6.6684 0.0000 N 0 0 -2.5950 7.4204 0.0000 C 0 0 -3.4615 6.9213 0.0000 O 0 0 -2.5940 8.9213 0.0000 C 0 0 0.6715 1.9499 0.0000 C 0 3 1.6937 3.0487 0.0000 N 0 0 1.1095 0.5144 0.0000 N 0 0 -5.1622 2.9439 0.0000 C 0 0 -6.2001 3.5463 0.0000 O 0 0 -0.7915 2.2848 0.0000 N 0 0 -5.1648 1.9439 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 6 5 1 1 6 11 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 19 1 0 9 10 1 0 10 11 1 0 10 21 1 1 11 12 1 6 12 13 1 0 13 14 2 0 13 15 1 0 16 17 1 0 16 18 1 0 16 21 2 0 19 20 2 0 19 22 1 0 M CHG 2 16 1 22 -1 M END > ZINC04134494 > 1 $$$$ SciTegic07110717432D 22 22 0 0 0 0 999 V2000 0.6740 8.9454 0.0000 C 0 0 1.1850 7.5342 0.0000 C 0 0 0.2191 6.3856 0.0000 C 0 0 2 0 0 0 1.7252 6.1167 0.0000 C 0 0 -1.2589 6.6468 0.0000 O 0 0 -2.5594 5.9395 0.0000 C 0 0 2 0 0 0 -3.8591 5.1906 0.0000 C 0 0 -3.8603 3.6906 0.0000 C 0 0 -2.5619 2.9395 0.0000 C 0 0 -1.2622 3.6884 0.0000 C 0 0 1 0 0 0 -1.2610 5.1884 0.0000 C 0 0 1 0 0 0 -1.8003 6.5671 0.0000 N 0 0 -0.8928 7.7625 0.0000 C 0 0 0.0993 7.6368 0.0000 O 0 0 -1.4735 9.1465 0.0000 C 0 0 0.6715 1.9499 0.0000 C 0 3 1.6937 3.0487 0.0000 N 0 0 1.1095 0.5144 0.0000 N 0 0 -5.1622 2.9439 0.0000 C 0 0 -6.2001 3.5463 0.0000 O 0 0 -0.7915 2.2848 0.0000 N 0 0 -5.1648 1.9439 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 6 3 5 1 0 6 5 1 1 6 11 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 19 1 0 9 10 1 0 10 11 1 0 10 21 1 1 11 12 1 6 12 13 1 0 13 14 2 0 13 15 1 0 16 17 1 0 16 18 1 0 16 21 2 0 19 20 2 0 19 22 1 0 M CHG 2 16 1 22 -1 M END > ZINC04134495 > 1 $$$$ SciTegic07110717432D 22 22 0 0 0 0 999 V2000 0.6740 8.9454 0.0000 C 0 0 1.1850 7.5342 0.0000 C 0 0 0.2191 6.3856 0.0000 C 0 0 1 0 0 0 1.7252 6.1167 0.0000 C 0 0 -1.2589 6.6468 0.0000 O 0 0 -2.5594 5.9395 0.0000 C 0 0 2 0 0 0 -3.8591 5.1906 0.0000 C 0 0 -3.8603 3.6906 0.0000 C 0 0 -2.5619 2.9395 0.0000 C 0 0 -1.2622 3.6884 0.0000 C 0 0 1 0 0 0 -1.2610 5.1884 0.0000 C 0 0 1 0 0 0 -1.8003 6.5671 0.0000 N 0 0 -0.8928 7.7625 0.0000 C 0 0 0.0993 7.6368 0.0000 O 0 0 -1.4735 9.1465 0.0000 C 0 0 0.6715 1.9499 0.0000 C 0 3 1.6937 3.0487 0.0000 N 0 0 1.1095 0.5144 0.0000 N 0 0 -5.1622 2.9439 0.0000 C 0 0 -6.2001 3.5463 0.0000 O 0 0 -0.7915 2.2848 0.0000 N 0 0 -5.1648 1.9439 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 1 3 5 1 0 6 5 1 1 6 11 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 19 1 0 9 10 1 0 10 11 1 0 10 21 1 1 11 12 1 6 12 13 1 0 13 14 2 0 13 15 1 0 16 17 1 0 16 18 1 0 16 21 2 0 19 20 2 0 19 22 1 0 M CHG 2 16 1 22 -1 M END > ZINC04134496 > 1 $$$$ SciTegic07110717432D 23 23 0 0 0 0 999 V2000 4.6805 -5.3870 0.0000 C 0 0 4.4156 -3.9097 0.0000 C 0 0 3.0041 -3.3997 0.0000 C 0 0 1 0 0 0 2.7405 -1.9222 0.0000 C 0 0 3.8877 -0.9545 0.0000 C 0 0 1.8560 -4.3663 0.0000 C 0 0 1 0 0 0 0.4492 -3.8829 0.0000 C 0 0 1 0 0 0 -1.0177 -3.5698 0.0000 C 0 0 1 0 0 0 -1.7688 -4.8683 0.0000 C 0 0 -0.7660 -5.9838 0.0000 C 0 0 1 0 0 0 0.6048 -5.3748 0.0000 C 0 0 1 0 0 0 1.8816 -4.6116 0.0000 O 0 0 -2.1882 -6.4196 0.0000 C 0 0 -3.0797 -5.6163 0.0000 O 0 0 -1.5899 -1.0334 0.0000 C 0 3 -3.0576 -1.3470 0.0000 N 0 0 -1.1251 0.3936 0.0000 N 0 0 3.0322 -5.3447 0.0000 N 0 0 2.7789 -6.8240 0.0000 C 0 0 1.6531 -7.2395 0.0000 O 0 0 3.9327 -7.7838 0.0000 C 0 0 -2.4386 -7.5932 0.0000 O 0 5 -0.5837 -2.1471 0.0000 N 0 0 1 2 1 0 3 2 1 6 3 4 1 0 3 6 1 0 4 5 1 0 7 6 1 6 6 18 1 6 7 11 1 0 7 8 1 0 8 9 1 0 8 23 1 1 9 10 1 0 10 11 1 0 10 13 1 1 11 12 1 6 13 14 2 0 13 22 1 0 15 16 1 0 15 17 1 0 15 23 2 0 18 19 1 0 19 20 2 0 19 21 1 0 M CHG 2 15 1 22 -1 M END > ZINC03833956 > 1 $$$$ SciTegic07110717432D 23 23 0 0 0 0 999 V2000 6.0990 -1.1504 0.0000 C 0 0 4.6098 -1.3370 0.0000 C 0 0 4.0063 -0.5397 0.0000 O 0 0 4.0259 -2.7196 0.0000 N 0 0 2.5619 -2.9395 0.0000 C 0 0 1 0 0 0 1.2622 -3.6884 0.0000 C 0 0 1 0 0 0 1.2610 -5.1884 0.0000 C 0 0 2.5594 -5.9395 0.0000 C 0 0 3.8590 -5.1906 0.0000 O 0 0 3.8603 -3.6906 0.0000 C 0 0 2 0 0 0 3.8251 -2.2106 0.0000 C 0 0 2 0 0 0 5.2887 -1.8781 0.0000 C 0 0 1 0 0 0 6.3090 -2.9787 0.0000 C 0 0 7.7726 -2.6463 0.0000 O 0 0 5.7320 -0.4444 0.0000 O 0 0 2.4906 -1.5241 0.0000 O 0 0 2.5612 -7.4403 0.0000 C 0 0 3.6008 -8.0397 0.0000 O 0 0 -0.6715 -1.9498 0.0000 C 0 3 -1.6937 -3.0487 0.0000 N 0 0 -1.1095 -0.5144 0.0000 N 0 0 1.5225 -8.0412 0.0000 O 0 5 0.7915 -2.2848 0.0000 N 0 0 1 2 1 0 2 3 2 0 2 4 1 0 5 4 1 6 5 10 1 0 5 6 1 0 6 7 1 0 6 23 1 1 7 8 2 0 8 9 1 0 8 17 1 0 10 9 1 1 10 11 1 0 11 12 1 0 11 16 1 1 12 13 1 0 12 15 1 6 13 14 1 0 17 18 2 0 17 22 1 0 19 20 1 0 19 21 1 0 19 23 2 0 M CHG 2 19 1 22 -1 M END > ZINC04134500 > 1 $$$$ SciTegic07110717432D 23 23 0 0 0 0 999 V2000 12.9498 0.5347 0.0000 C 0 0 11.6884 -0.2785 0.0000 C 0 0 10.3530 0.4064 0.0000 C 0 0 9.0916 -0.4068 0.0000 C 0 0 7.7561 0.2782 0.0000 C 0 0 6.4947 -0.5351 0.0000 C 0 0 5.1593 0.1499 0.0000 C 0 0 3.8979 -0.6634 0.0000 C 0 0 2.5625 0.0216 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.5625 -0.0215 0.0000 N 0 0 2.5632 -1.5224 0.0000 C 0 0 1.6972 -2.0225 0.0000 O 0 0 3.8628 -2.2731 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5955 -2.7031 0.0000 O 0 0 -1.2999 2.2084 0.0000 N 0 3 -3.6375 -0.9049 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 10 9 1 6 10 15 1 0 10 11 1 0 11 12 2 0 12 13 1 0 12 20 1 0 13 14 1 0 14 15 1 0 14 22 1 6 15 16 1 1 16 17 1 0 17 18 2 0 17 19 1 0 20 21 2 0 20 23 1 0 M CHG 2 22 1 23 -1 M END > ZINC04646291 > 1 $$$$ SciTegic07110717432D 24 24 0 0 0 0 999 V2000 14.2852 -0.1502 0.0000 C 0 0 12.9498 0.5347 0.0000 C 0 0 11.6884 -0.2785 0.0000 C 0 0 10.3530 0.4064 0.0000 C 0 0 9.0916 -0.4068 0.0000 C 0 0 7.7561 0.2782 0.0000 C 0 0 6.4947 -0.5351 0.0000 C 0 0 5.1593 0.1499 0.0000 C 0 0 3.8979 -0.6634 0.0000 C 0 0 2.5625 0.0216 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.5625 -0.0215 0.0000 N 0 0 2.5632 -1.5224 0.0000 C 0 0 1.6972 -2.0225 0.0000 O 0 0 3.8628 -2.2731 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5955 -2.7031 0.0000 O 0 0 -1.2999 2.2084 0.0000 N 0 3 -3.6375 -0.9049 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 10 1 6 11 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 21 1 0 14 15 1 0 15 16 1 0 15 23 1 6 16 17 1 1 17 18 1 0 18 19 2 0 18 20 1 0 21 22 2 0 21 24 1 0 M CHG 2 23 1 24 -1 M END > ZINC04646292 > 1 $$$$ SciTegic07110717432D 25 25 0 0 0 0 999 V2000 15.5466 0.6630 0.0000 C 0 0 14.2852 -0.1502 0.0000 C 0 0 12.9498 0.5347 0.0000 C 0 0 11.6884 -0.2785 0.0000 C 0 0 10.3530 0.4064 0.0000 C 0 0 9.0916 -0.4068 0.0000 C 0 0 7.7561 0.2782 0.0000 C 0 0 6.4947 -0.5351 0.0000 C 0 0 5.1593 0.1499 0.0000 C 0 0 3.8979 -0.6634 0.0000 C 0 0 2.5625 0.0216 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.5625 -0.0215 0.0000 N 0 0 2.5632 -1.5224 0.0000 C 0 0 1.6972 -2.0225 0.0000 O 0 0 3.8628 -2.2731 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5955 -2.7031 0.0000 O 0 0 -1.2999 2.2084 0.0000 N 0 3 -3.6375 -0.9049 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 12 11 1 6 12 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 22 1 0 15 16 1 0 16 17 1 0 16 24 1 6 17 18 1 1 18 19 1 0 19 20 2 0 19 21 1 0 22 23 2 0 22 25 1 0 M CHG 2 24 1 25 -1 M END > ZINC04646293 > 1 $$$$ SciTegic07110717432D 25 25 0 0 0 0 999 V2000 7.7706 -4.4773 0.0000 C 0 0 7.7683 -2.9765 0.0000 C 0 0 6.4680 -2.2272 0.0000 C 0 0 6.4657 -0.7264 0.0000 C 0 0 5.1654 0.0229 0.0000 C 0 0 5.1631 1.5238 0.0000 C 0 0 3.8627 2.2731 0.0000 C 0 0 2.5631 1.5224 0.0000 C 0 0 2 0 0 0 2.5611 3.0524 0.0000 C 0 0 3.8595 3.8053 0.0000 C 0 0 2.5625 0.0216 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.5625 -0.0215 0.0000 N 0 0 2.5632 -1.5224 0.0000 C 0 0 1.6972 -2.0225 0.0000 O 0 0 3.8628 -2.2731 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 -3.6381 -0.9059 0.0000 O 0 0 -1.2999 2.2084 0.0000 N 0 3 -2.5944 -2.7031 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 8 7 1 1 8 9 1 0 8 11 1 0 9 10 1 0 12 11 1 6 12 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 22 1 0 15 16 1 0 16 17 1 0 16 24 1 6 17 18 1 1 18 19 1 0 19 20 2 0 19 21 1 0 22 23 2 0 22 25 1 0 M CHG 2 24 1 25 -1 M END > ZINC04646294 > 1 $$$$ SciTegic07110717432D 21 22 0 0 0 0 999 V2000 3.1180 4.0244 0.0000 C 0 0 1.9939 3.0300 0.0000 C 0 0 1.0457 3.3476 0.0000 O 0 0 2.2921 1.5591 0.0000 N 0 0 1.2076 0.5514 0.0000 C 0 0 2 0 0 0 -0.2882 0.4387 0.0000 C 0 0 2 0 0 0 -0.9385 -0.9130 0.0000 C 0 0 -0.0930 -2.1520 0.0000 C 0 0 1.4027 -2.0394 0.0000 C 0 0 2.0530 -0.6877 0.0000 C 0 0 1 0 0 0 3.0867 0.3722 0.0000 O 0 0 4.5499 0.0385 0.0000 C 0 0 5.1050 1.4325 0.0000 C 0 0 6.5895 1.6476 0.0000 C 0 0 7.5180 0.4695 0.0000 C 0 0 6.9621 -0.9236 0.0000 C 0 0 5.4776 -1.1387 0.0000 C 0 0 -0.7409 -3.5058 0.0000 C 0 0 -0.0631 -4.4961 0.0000 O 0 0 -1.9374 -3.5980 0.0000 O 0 5 0.3863 1.7566 0.0000 N 0 3 1 2 1 0 2 3 2 0 2 4 1 0 5 4 1 1 5 10 1 0 5 6 1 0 6 7 1 0 6 21 1 6 7 8 1 0 8 9 2 0 8 18 1 0 9 10 1 0 10 11 1 6 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 18 19 2 0 18 20 1 0 M CHG 2 20 -1 21 1 M END > ZINC03833963 > 2 $$$$ SciTegic07110717432D 22 23 0 0 0 0 999 V2000 3.8627 2.2731 0.0000 C 0 0 2.5631 1.5224 0.0000 C 0 0 1.6972 2.0225 0.0000 O 0 0 2.5625 0.0216 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.5625 -0.0215 0.0000 O 0 0 3.8979 0.6634 0.0000 C 0 0 5.1593 -0.1498 0.0000 C 0 0 5.0858 -1.6480 0.0000 C 0 0 6.3465 -2.4608 0.0000 C 0 0 7.6808 -1.7754 0.0000 C 0 0 7.7543 -0.2772 0.0000 C 0 0 6.4936 0.5356 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5956 2.7031 0.0000 O 0 0 -3.6375 0.9049 0.0000 O 0 5 1.2999 -2.2084 0.0000 N 0 3 1 2 1 0 2 3 2 0 2 4 1 0 5 4 1 6 5 10 1 0 5 6 1 0 6 7 1 0 6 22 1 1 7 8 1 0 8 9 2 0 8 19 1 0 9 10 1 0 10 11 1 1 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 2 0 19 21 1 0 M CHG 2 21 -1 22 1 M END > ZINC03833964 > 3 $$$$ SciTegic07110717432D 25 26 0 0 0 0 999 V2000 3.8912 -5.2578 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1 0 0 0 1.2941 -3.7520 0.0000 C 0 0 1.2906 -5.2528 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 N 0 0 3.9491 0.8772 0.0000 C 0 0 4.1898 -0.2984 0.0000 O 0 0 4.9546 1.9904 0.0000 C 0 0 4.2067 3.2906 0.0000 C 0 0 2.7389 2.9810 0.0000 C 0 0 2 0 0 0 3.0646 4.4329 0.0000 C 0 0 4.4897 4.9034 0.0000 O 0 0 1.2509 3.0036 0.0000 C 0 0 0.5396 4.3252 0.0000 O 0 0 -2.6003 -1.4978 0.0000 C 0 0 -3.6387 -0.8963 0.0000 O 0 0 -2.6024 -2.6978 0.0000 O 0 5 1 2 1 0 3 2 1 1 3 4 1 0 3 6 1 0 4 5 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 23 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 18 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 1 18 21 1 0 19 20 1 0 21 22 1 0 23 24 2 0 23 25 1 0 M CHG 1 25 -1 M END > ZINC03832036 > 4 $$$$ SciTegic07110717432D 25 26 0 0 0 0 999 V2000 -1.1733 -7.6744 0.0000 C 0 0 0.3158 -7.4870 0.0000 C 0 0 0.8989 -6.1042 0.0000 C 0 0 2 0 0 0 -0.0075 -4.9080 0.0000 C 0 0 -1.4806 -5.0555 0.0000 C 0 0 2 0 0 0 -1.3318 -3.5629 0.0000 C 0 0 -2.5501 -2.6878 0.0000 C 0 0 -3.9171 -3.3052 0.0000 C 0 0 -4.0659 -4.7978 0.0000 C 0 0 -2.8476 -5.6730 0.0000 C 0 0 2.3882 -5.9183 0.0000 O 0 0 3.2946 -7.1144 0.0000 C 0 0 2 0 0 0 3.8354 -5.7372 0.0000 C 0 0 5.3237 -5.5502 0.0000 C 0 0 6.2298 -6.7455 0.0000 C 0 0 5.6477 -8.1280 0.0000 C 0 0 1 0 0 0 4.1594 -8.3150 0.0000 C 0 0 1 0 0 0 4.6126 -9.7253 0.0000 N 0 0 6.0716 -10.0771 0.0000 C 0 0 6.7604 -9.3523 0.0000 O 0 0 6.4972 -11.5163 0.0000 C 0 0 5.9033 -4.1658 0.0000 C 0 0 5.2981 -3.3697 0.0000 O 0 0 7.1115 -7.9073 0.0000 N 0 3 7.0937 -4.0141 0.0000 O 0 5 1 2 1 0 3 2 1 6 3 4 1 0 3 11 1 0 5 4 1 1 5 10 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 12 11 1 6 12 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 22 1 0 15 16 1 0 16 17 1 0 16 24 1 6 17 18 1 1 18 19 1 0 19 20 2 0 19 21 1 0 22 23 2 0 22 25 1 0 M CHG 2 24 1 25 -1 M END > ZINC04134491 > 5 $$$$ SciTegic07110717432D 26 27 0 0 0 0 999 V2000 4.4111 -5.6293 0.0000 C 0 0 4.4833 -4.1302 0.0000 C 0 0 3.2217 -3.3174 0.0000 C 0 0 2 0 0 0 3.2952 -1.8184 0.0000 C 0 0 4.6298 -1.1317 0.0000 C 0 0 4.7384 0.3447 0.0000 C 0 0 2 0 0 0 6.1830 -0.0592 0.0000 C 0 0 7.2551 0.9900 0.0000 C 0 0 6.8826 2.4430 0.0000 C 0 0 5.4380 2.8469 0.0000 C 0 0 4.3659 1.7977 0.0000 C 0 0 1.8871 -4.0040 0.0000 O 0 0 1.8136 -5.5030 0.0000 C 0 0 2 0 0 0 0.9484 -4.3027 0.0000 C 0 0 -0.5398 -4.4902 0.0000 C 0 0 -1.1215 -5.8728 0.0000 C 0 0 -0.2150 -7.0679 0.0000 C 0 0 1 0 0 0 1.2732 -6.8804 0.0000 C 0 0 1 0 0 0 1.1835 -8.3590 0.0000 N 0 0 2.4152 -9.2166 0.0000 C 0 0 3.5012 -8.7062 0.0000 O 0 0 2.2893 -10.7121 0.0000 C 0 0 -1.4444 -3.2926 0.0000 C 0 0 -0.9774 -2.1872 0.0000 O 0 0 -1.6880 -7.2168 0.0000 N 0 3 -2.6352 -3.4405 0.0000 O 0 5 1 2 1 0 3 2 1 1 3 4 1 0 3 12 1 0 4 5 1 0 6 5 1 1 6 11 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 13 12 1 1 13 18 1 0 13 14 1 0 14 15 2 0 15 16 1 0 15 23 1 0 16 17 1 0 17 18 1 0 17 25 1 1 18 19 1 6 19 20 1 0 20 21 2 0 20 22 1 0 23 24 2 0 23 26 1 0 M CHG 2 25 1 26 -1 M END > ZINC03833962 > 6 $$$$ SciTegic07110717432D 26 27 0 0 0 0 999 V2000 9.0980 0.7508 0.0000 C 0 0 7.7975 1.5000 0.0000 C 0 0 6.4980 0.7492 0.0000 C 0 0 1 0 0 0 5.1983 1.4996 0.0000 C 0 0 5.1973 3.0004 0.0000 C 0 0 3.8976 3.7508 0.0000 C 0 0 3.8976 5.2508 0.0000 C 0 0 2.5985 6.0008 0.0000 C 0 0 1.2995 5.2508 0.0000 C 0 0 1.2995 3.7508 0.0000 C 0 0 2.5985 3.0008 0.0000 C 0 0 6.4990 -0.7516 0.0000 O 0 0 7.7988 -1.5020 0.0000 C 0 0 2 0 0 0 6.4996 -2.2102 0.0000 C 0 0 6.4994 -3.7102 0.0000 C 0 0 7.7983 -4.4604 0.0000 C 0 0 9.0974 -3.7106 0.0000 C 0 0 1 0 0 0 9.0977 -2.2106 0.0000 C 0 0 1 0 0 0 10.5534 -2.4846 0.0000 N 0 0 11.5584 -1.3699 0.0000 C 0 0 11.1879 -0.2285 0.0000 O 0 0 13.0264 -1.6820 0.0000 C 0 0 5.1979 -4.4577 0.0000 C 0 0 4.1597 -3.8560 0.0000 O 0 0 9.0607 -5.1905 0.0000 N 0 3 5.1957 -5.6577 0.0000 O 0 5 1 2 1 0 3 2 1 6 3 4 1 0 3 12 1 0 4 5 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 13 12 1 1 13 18 1 0 13 14 1 0 14 15 2 0 15 16 1 0 15 23 1 0 16 17 1 0 17 18 1 0 17 25 1 1 18 19 1 6 19 20 1 0 20 21 2 0 20 22 1 0 23 24 2 0 23 26 1 0 M CHG 2 25 1 26 -1 M END > ZINC03833965 > 6 $$$$ SciTegic07110717432D 30 32 0 0 0 0 999 V2000 3.8627 2.2731 0.0000 C 0 0 2.5631 1.5224 0.0000 C 0 0 1.6972 2.0225 0.0000 O 0 0 2.5625 0.0216 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.5625 -0.0215 0.0000 O 0 0 3.8979 0.6634 0.0000 C 0 0 5.1593 -0.1498 0.0000 C 0 0 6.4947 0.5351 0.0000 C 0 0 7.7561 -0.2781 0.0000 C 0 0 7.6826 -1.7763 0.0000 C 0 0 8.9433 -2.5891 0.0000 C 0 0 10.2776 -1.9036 0.0000 C 0 0 10.3511 -0.4054 0.0000 C 0 0 9.0904 0.4073 0.0000 C 0 0 11.5389 -2.7168 0.0000 C 0 0 11.4631 -4.2150 0.0000 C 0 0 12.7225 -5.0297 0.0000 C 0 0 14.0578 -4.3464 0.0000 C 0 0 14.1338 -2.8484 0.0000 C 0 0 12.8743 -2.0336 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.6381 0.9059 0.0000 O 0 0 -2.5944 2.7031 0.0000 O 0 5 1.2999 -2.2084 0.0000 N 0 3 1 2 1 0 2 3 2 0 2 4 1 0 5 4 1 6 5 10 1 0 5 6 1 0 6 7 1 0 6 30 1 1 7 8 1 0 8 9 2 0 8 27 1 0 9 10 1 0 10 11 1 1 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 27 28 2 0 27 29 1 0 M CHG 2 29 -1 30 1 M END > ZINC03833966 > 7 $$$$